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b/Fungi/A0A2H3BCJ0/top.pdb @@ -0,0 +1,179 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 252.377 192.477 269.283 1.00 0.00 C +ATOM 2 CA THR A 2 254.140 189.186 268.527 1.00 0.00 C +ATOM 3 CA THR A 3 257.810 188.161 268.494 1.00 0.00 C +ATOM 4 CA ARG A 4 261.236 186.518 268.766 1.00 0.00 C +ATOM 5 CA THR A 5 262.978 183.173 269.310 1.00 0.00 C +ATOM 6 CA ALA A 6 262.633 180.737 272.219 1.00 0.00 C +ATOM 7 CA THR A 7 261.832 178.620 275.284 1.00 0.00 C +ATOM 8 CA PRO A 8 262.522 179.722 278.865 1.00 0.00 C +ATOM 9 CA THR A 9 262.820 183.290 280.166 1.00 0.00 C +ATOM 10 CA SER A 10 264.599 186.528 281.100 1.00 0.00 C +ATOM 11 CA SER A 11 263.074 189.833 279.974 1.00 0.00 C +ATOM 12 CA PRO A 12 265.018 193.106 279.813 1.00 0.00 C +ATOM 13 CA ASP A 13 266.487 196.602 280.180 1.00 0.00 C +ATOM 14 CA ASP A 14 264.225 199.203 278.559 1.00 0.00 C +ATOM 15 CA GLN A 15 261.053 199.982 276.596 1.00 0.00 C +ATOM 16 CA PRO A 16 259.255 203.289 277.185 1.00 0.00 C +ATOM 17 CA HIS A 17 256.879 206.259 277.401 1.00 0.00 C +ATOM 18 CA PRO A 18 258.091 209.496 279.004 1.00 0.00 C +ATOM 19 CA GLN A 19 257.781 210.624 282.630 1.00 0.00 C +ATOM 20 CA PRO A 20 255.846 209.716 285.784 1.00 0.00 C +ATOM 21 CA HIS A 21 255.112 210.532 289.432 1.00 0.00 C +ATOM 22 CA PRO A 22 253.237 211.838 292.481 1.00 0.00 C +ATOM 23 CA ASP A 23 250.221 214.027 291.688 1.00 0.00 C +ATOM 24 CA GLU A 24 249.281 216.416 288.873 1.00 0.00 C +ATOM 25 CA PRO A 25 249.133 217.086 285.125 1.00 0.00 C +ATOM 26 CA ASP A 26 249.102 218.622 281.638 1.00 0.00 C +ATOM 27 CA PRO A 27 251.366 219.416 278.679 1.00 0.00 C +ATOM 28 CA GLU A 28 252.644 217.040 275.988 1.00 0.00 C +ATOM 29 CA GLY A 29 253.579 214.354 273.453 1.00 0.00 C +ATOM 30 CA THR A 30 257.210 213.266 273.064 1.00 0.00 C +ATOM 31 CA THR A 31 259.537 210.982 271.094 1.00 0.00 C +ATOM 32 CA THR A 32 263.073 209.803 270.305 1.00 0.00 C +ATOM 33 CA PRO A 33 265.950 212.204 269.616 1.00 0.00 C +ATOM 34 CA SER A 34 264.572 215.706 269.023 1.00 0.00 C +ATOM 35 CA THR A 35 262.677 216.309 265.773 1.00 0.00 C +ATOM 36 CA HIS A 36 261.192 218.410 262.963 1.00 0.00 C +ATOM 37 CA THR A 37 263.195 218.298 259.724 1.00 0.00 C +ATOM 38 CA ALA A 38 261.009 216.299 257.328 1.00 0.00 C +ATOM 39 CA PRO A 39 257.411 217.324 256.604 1.00 0.00 C +ATOM 40 CA THR A 40 253.821 218.224 255.701 1.00 0.00 C +ATOM 41 CA THR A 41 252.845 220.601 252.887 1.00 0.00 C +ATOM 42 CA SER A 42 253.602 221.711 249.322 1.00 0.00 C +ATOM 43 CA GLY A 43 255.772 223.362 246.661 1.00 0.00 C +ATOM 44 CA PRO A 44 257.965 220.963 244.672 1.00 0.00 C +ATOM 45 CA ASN A 45 259.092 217.910 242.691 1.00 0.00 C +ATOM 46 CA SER A 46 257.436 217.119 239.353 1.00 0.00 C +ATOM 47 CA PRO A 47 258.461 215.855 235.908 1.00 0.00 C +ATOM 48 CA PRO A 48 260.478 218.126 233.608 1.00 0.00 C +ATOM 49 CA SER A 49 260.240 219.736 230.163 1.00 0.00 C +ATOM 50 CA THR A 50 257.490 222.360 229.909 1.00 0.00 C +ATOM 51 CA ARG A 51 258.753 225.660 231.335 1.00 0.00 C +ATOM 52 CA TYR A 52 258.118 226.674 234.953 1.00 0.00 C +ATOM 53 CA PHE A 53 256.842 226.595 238.542 1.00 0.00 C +ATOM 54 CA SER A 54 257.046 229.246 241.271 1.00 0.00 C +ATOM 55 CA ALA A 55 255.540 232.263 243.044 1.00 0.00 C +ATOM 56 CA PRO A 56 252.598 232.491 245.454 1.00 0.00 C +ATOM 57 CA PRO A 57 250.474 235.642 245.721 1.00 0.00 C +ATOM 58 CA GLY A 58 251.617 239.033 247.029 1.00 0.00 C +ATOM 59 CA SER A 59 252.897 238.378 250.558 1.00 0.00 C +ATOM 60 CA PRO A 60 252.948 235.950 253.493 1.00 0.00 C +ATOM 61 CA HIS A 61 252.436 232.321 254.536 1.00 0.00 C +ATOM 62 CA GLY A 62 253.407 231.432 258.111 1.00 0.00 C +ATOM 63 CA ASN A 63 255.684 232.932 260.773 1.00 0.00 C +ATOM 64 CA PHE A 64 256.883 236.151 262.422 1.00 0.00 C +ATOM 65 CA ASP A 65 259.339 236.856 265.248 1.00 0.00 C +ATOM 66 CA GLU A 66 257.365 237.131 268.495 1.00 0.00 C +ATOM 67 CA GLN A 67 256.760 237.290 272.253 1.00 0.00 C +ATOM 68 CA THR A 68 254.202 238.523 274.793 1.00 0.00 C +ATOM 69 CA SER A 69 255.539 241.290 277.046 1.00 0.00 C +ATOM 70 CA ILE A 70 258.125 241.950 279.765 1.00 0.00 C +ATOM 71 CA GLU A 71 261.517 243.668 280.006 1.00 0.00 C +ATOM 72 CA ASP A 72 263.216 245.608 277.202 1.00 0.00 C +ATOM 73 CA ILE A 73 262.440 247.242 273.849 1.00 0.00 C +ATOM 74 CA ARG A 74 262.665 250.978 274.558 1.00 0.00 C +ATOM 75 CA SER A 75 264.257 254.054 276.147 1.00 0.00 C +ATOM 76 CA SER A 76 266.475 255.402 278.936 1.00 0.00 C +ATOM 77 CA ALA A 77 270.276 255.661 278.899 1.00 0.00 C +ATOM 78 CA ALA A 78 271.386 255.525 275.257 1.00 0.00 C +ATOM 79 CA VAL A 79 275.036 254.632 274.624 1.00 0.00 C +ATOM 80 CA ASP A 80 276.851 257.810 273.564 1.00 0.00 C +ATOM 81 CA GLN A 81 274.955 261.042 274.253 1.00 0.00 C +ATOM 82 CA SER A 82 275.536 264.592 275.510 1.00 0.00 C +ATOM 83 CA TRP A 83 272.385 266.714 275.222 1.00 0.00 C +ATOM 84 CA THR A 84 269.106 264.810 274.845 1.00 0.00 C +ATOM 85 CA PHE A 85 269.421 262.505 271.828 1.00 0.00 C +ATOM 86 CA THR A 86 267.000 263.947 269.264 1.00 0.00 C +ATOM 87 CA SER A 87 264.048 266.140 268.267 1.00 0.00 C +ATOM 88 CA PRO A 88 263.780 269.839 267.397 1.00 0.00 C +ATOM 89 CA SER A 89 266.220 270.393 264.524 1.00 0.00 C +ATOM 90 CA THR A 90 265.218 269.324 261.007 1.00 0.00 C +ATOM 91 CA GLU A 91 262.651 266.942 259.507 1.00 0.00 C +ATOM 92 CA ALA A 92 259.201 267.015 257.892 1.00 0.00 C +ATOM 93 CA SER A 93 255.891 266.023 256.287 1.00 0.00 C +ATOM 94 CA PRO A 94 254.774 267.102 252.808 1.00 0.00 C +ATOM 95 CA SER A 95 255.438 265.138 249.611 1.00 0.00 C +ATOM 96 CA PRO A 96 253.721 266.873 246.685 1.00 0.00 C +ATOM 97 CA VAL A 97 249.986 267.586 246.927 1.00 0.00 C +ATOM 98 CA LEU A 98 247.529 264.675 246.950 1.00 0.00 C +ATOM 99 CA ALA A 99 245.401 261.711 245.852 1.00 0.00 C +ATOM 100 CA PRO A 100 245.413 257.993 245.024 1.00 0.00 C +ATOM 101 CA MET A 101 247.314 256.382 247.906 1.00 0.00 C +ATOM 102 CA GLN A 102 251.008 255.448 247.941 1.00 0.00 C +ATOM 103 CA LYS A 103 253.149 256.323 244.913 1.00 0.00 C +ATOM 104 CA SER A 104 251.074 255.645 241.791 1.00 0.00 C +ATOM 105 CA HIS A 105 252.952 254.664 238.625 1.00 0.00 C +ATOM 106 CA LEU A 106 256.573 254.062 237.602 1.00 0.00 C +ATOM 107 CA GLU A 107 259.984 255.134 236.288 1.00 0.00 C +ATOM 108 CA SER A 108 260.635 258.302 234.273 1.00 0.00 C +ATOM 109 CA LEU A 109 262.944 259.300 231.412 1.00 0.00 C +ATOM 110 CA LEU A 110 265.717 259.388 228.800 1.00 0.00 C +ATOM 111 CA THR A 111 264.707 258.958 225.152 1.00 0.00 C +ATOM 112 CA GLU A 112 261.312 260.564 224.512 1.00 0.00 C +ATOM 113 CA THR A 113 257.799 261.777 225.351 1.00 0.00 C +ATOM 114 CA GLU A 114 255.137 262.865 227.851 1.00 0.00 C +ATOM 115 CA ARG A 115 252.506 264.757 225.848 1.00 0.00 C +ATOM 116 CA SER A 116 249.764 267.015 227.228 1.00 0.00 C +ATOM 117 CA ASP A 117 251.077 269.935 229.293 1.00 0.00 C +ATOM 118 CA ASP A 118 250.665 270.064 233.078 1.00 0.00 C +ATOM 119 CA GLN A 119 247.449 268.578 234.481 1.00 0.00 C +ATOM 120 CA THR A 120 244.225 268.928 232.481 1.00 0.00 C +ATOM 121 CA GLN A 121 241.566 270.737 234.523 1.00 0.00 C +ATOM 122 CA GLY A 122 239.857 273.826 235.956 1.00 0.00 C +ATOM 123 CA THR A 123 239.014 275.934 232.897 1.00 0.00 C +ATOM 124 CA GLU A 124 236.452 276.219 230.092 1.00 0.00 C +ATOM 125 CA TYR A 125 234.776 278.754 227.794 1.00 0.00 C +ATOM 126 CA ALA A 126 233.745 280.916 224.830 1.00 0.00 C +ATOM 127 CA ALA A 127 234.444 279.818 221.249 1.00 0.00 C +ATOM 128 CA PRO A 128 238.120 279.258 220.419 1.00 0.00 C +ATOM 129 CA THR A 129 241.163 281.499 220.907 1.00 0.00 C +ATOM 130 CA LYS A 130 241.249 284.866 222.689 1.00 0.00 C +ATOM 131 CA THR A 131 238.935 287.642 221.481 1.00 0.00 C +ATOM 132 CA LYS A 132 240.193 291.176 220.818 1.00 0.00 C +ATOM 133 CA PRO A 133 240.377 294.813 221.939 1.00 0.00 C +ATOM 134 CA PRO A 134 237.660 297.218 223.100 1.00 0.00 C +ATOM 135 CA ARG A 135 236.505 299.950 225.492 1.00 0.00 C +ATOM 136 CA SER A 136 233.520 302.282 225.088 1.00 0.00 C +ATOM 137 CA SER A 137 230.565 304.499 224.157 1.00 0.00 C +ATOM 138 CA GLU A 138 229.847 306.829 221.229 1.00 0.00 C +ATOM 139 CA ASN A 139 230.654 304.914 218.035 1.00 0.00 C +ATOM 140 CA TYR A 140 234.091 303.326 217.602 1.00 0.00 C +ATOM 141 CA ILE A 141 235.233 299.723 217.126 1.00 0.00 C +ATOM 142 CA SER A 142 235.939 295.985 216.902 1.00 0.00 C +ATOM 143 CA HIS A 143 234.225 292.787 218.062 1.00 0.00 C +ATOM 144 CA TYR A 144 232.281 289.925 216.465 1.00 0.00 C +ATOM 145 CA MET A 145 231.707 286.463 217.949 1.00 0.00 C +ATOM 146 CA PRO A 146 229.561 283.567 219.184 1.00 0.00 C +ATOM 147 CA SER A 147 225.913 284.576 219.622 1.00 0.00 C +ATOM 148 CA PRO A 148 223.745 281.532 218.878 1.00 0.00 C +ATOM 149 CA SER A 149 225.632 278.363 217.920 1.00 0.00 C +ATOM 150 CA ASN A 150 228.497 275.940 217.258 1.00 0.00 C +ATOM 151 CA LYS A 151 231.568 273.772 217.876 1.00 0.00 C +ATOM 152 CA GLY A 152 233.897 270.995 219.052 1.00 0.00 C +ATOM 153 CA THR A 153 235.011 267.398 219.632 1.00 0.00 C +ATOM 154 CA VAL A 154 234.371 265.683 222.973 1.00 0.00 C +ATOM 155 CA ASP A 155 231.288 265.593 225.210 1.00 0.00 C +ATOM 156 CA GLU A 156 229.558 268.962 225.626 1.00 0.00 C +ATOM 157 CA PRO A 157 228.804 272.622 224.880 1.00 0.00 C +ATOM 158 CA ARG A 158 227.692 275.779 226.700 1.00 0.00 C +ATOM 159 CA LEU A 159 228.103 276.874 230.326 1.00 0.00 C +ATOM 160 CA PRO A 160 227.943 279.371 233.200 1.00 0.00 C +ATOM 161 CA TRP A 161 224.803 281.509 233.493 1.00 0.00 C +ATOM 162 CA GLN A 162 222.482 282.089 236.459 1.00 0.00 C +ATOM 163 CA ARG A 163 222.322 285.132 238.745 1.00 0.00 C +ATOM 164 CA GLN A 164 222.090 288.627 240.245 1.00 0.00 C +ATOM 165 CA HIS A 165 225.277 290.706 240.438 1.00 0.00 C +ATOM 166 CA GLN A 166 228.497 291.337 242.374 1.00 0.00 C +ATOM 167 CA LEU A 167 228.438 290.316 246.045 1.00 0.00 C +ATOM 168 CA ARG A 168 226.937 292.847 248.466 1.00 0.00 C +ATOM 169 CA ASN A 169 225.412 290.901 251.364 1.00 0.00 C +ATOM 170 CA GLU A 170 224.035 287.681 249.863 1.00 0.00 C +ATOM 171 CA ILE A 171 224.273 284.404 247.934 1.00 0.00 C +ATOM 172 CA GLY A 172 225.942 280.983 248.103 1.00 0.00 C +ATOM 173 CA GLN A 173 228.163 279.556 250.849 1.00 0.00 C +ATOM 174 CA LEU A 174 231.372 279.164 252.865 1.00 0.00 C +ATOM 175 CA THR A 175 234.540 277.104 252.382 1.00 0.00 C +TER 176 THR A 175 +END diff --git a/Fungi/A0A2I1FG38/A0A2I1FG38.dcd b/Fungi/A0A2I1FG38/A0A2I1FG38.dcd new file mode 100644 index 0000000000000000000000000000000000000000..be15ee1cab54e80b79e2b591d7976982a0a32033 --- /dev/null +++ b/Fungi/A0A2I1FG38/A0A2I1FG38.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b34d45d30de740ad935734f5ffb447af7501d4264ad1d83525bf8330e5124733 +size 14000276 diff --git a/Fungi/A0A2I1FG38/top.pdb b/Fungi/A0A2I1FG38/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..671fe333383d4da39f9fca23ff236460f8a001cf --- /dev/null +++ b/Fungi/A0A2I1FG38/top.pdb @@ -0,0 +1,114 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA SER A 1 226.551 240.668 225.053 1.00 0.00 C +ATOM 2 CA THR A 2 226.532 237.487 222.956 1.00 0.00 C +ATOM 3 CA THR A 3 223.600 235.257 223.932 1.00 0.00 C +ATOM 4 CA ASN A 4 223.454 234.850 227.717 1.00 0.00 C +ATOM 5 CA ALA A 5 227.033 234.295 228.901 1.00 0.00 C +ATOM 6 CA PHE A 6 229.895 231.930 229.756 1.00 0.00 C +ATOM 7 CA ALA A 7 231.324 228.564 230.826 1.00 0.00 C +ATOM 8 CA GLN A 8 230.890 227.911 234.554 1.00 0.00 C +ATOM 9 CA ARG A 9 231.313 230.567 237.253 1.00 0.00 C +ATOM 10 CA ARG A 10 230.850 229.244 240.796 1.00 0.00 C +ATOM 11 CA ASN A 11 228.483 231.451 242.807 1.00 0.00 C +ATOM 12 CA LYS A 12 224.839 232.260 242.044 1.00 0.00 C +ATOM 13 CA SER A 13 222.350 231.538 239.251 1.00 0.00 C +ATOM 14 CA THR A 14 221.839 227.800 238.715 1.00 0.00 C +ATOM 15 CA PRO A 15 220.520 225.167 236.298 1.00 0.00 C +ATOM 16 CA ASN A 16 217.114 224.380 234.782 1.00 0.00 C +ATOM 17 CA SER A 17 213.447 225.414 234.837 1.00 0.00 C +ATOM 18 CA PRO A 18 212.297 228.010 232.297 1.00 0.00 C +ATOM 19 CA VAL A 19 212.881 228.549 228.571 1.00 0.00 C +ATOM 20 CA LYS A 20 215.410 230.856 226.899 1.00 0.00 C +ATOM 21 CA THR A 21 216.121 234.494 226.019 1.00 0.00 C +ATOM 22 CA HIS A 22 215.759 237.702 228.043 1.00 0.00 C +ATOM 23 CA ILE A 23 218.276 240.107 226.496 1.00 0.00 C +ATOM 24 CA THR A 24 217.307 241.272 223.000 1.00 0.00 C +ATOM 25 CA PRO A 25 216.847 240.097 219.406 1.00 0.00 C +ATOM 26 CA LYS A 26 215.640 241.262 215.985 1.00 0.00 C +ATOM 27 CA SER A 27 215.393 239.647 212.543 1.00 0.00 C +ATOM 28 CA ASP A 28 218.676 240.542 210.829 1.00 0.00 C +ATOM 29 CA SER A 29 222.391 239.806 211.237 1.00 0.00 C +ATOM 30 CA ASN A 30 223.458 238.261 214.552 1.00 0.00 C +ATOM 31 CA THR A 31 225.252 240.333 217.200 1.00 0.00 C +ATOM 32 CA THR A 32 227.789 242.168 219.370 1.00 0.00 C +ATOM 33 CA GLU A 33 230.471 244.266 217.662 1.00 0.00 C +ATOM 34 CA ILE A 34 233.548 246.016 216.251 1.00 0.00 C +ATOM 35 CA GLU A 35 236.273 248.609 215.644 1.00 0.00 C +ATOM 36 CA ASN A 36 236.622 252.328 216.392 1.00 0.00 C +ATOM 37 CA ALA A 37 240.034 252.927 217.980 1.00 0.00 C +ATOM 38 CA TYR A 38 242.791 255.243 219.224 1.00 0.00 C +ATOM 39 CA GLU A 39 246.110 255.071 221.089 1.00 0.00 C +ATOM 40 CA GLU A 40 247.348 257.260 223.951 1.00 0.00 C +ATOM 41 CA GLU A 41 246.509 260.821 225.014 1.00 0.00 C +ATOM 42 CA SER A 42 245.618 263.131 227.910 1.00 0.00 C +ATOM 43 CA ASP A 43 247.857 264.382 230.727 1.00 0.00 C +ATOM 44 CA ASN A 44 250.272 265.935 233.231 1.00 0.00 C +ATOM 45 CA ASP A 45 253.896 264.768 233.098 1.00 0.00 C +ATOM 46 CA SER A 46 257.101 266.827 233.059 1.00 0.00 C +ATOM 47 CA ASP A 47 257.007 269.544 235.728 1.00 0.00 C +ATOM 48 CA LYS A 48 259.951 270.999 237.660 1.00 0.00 C +ATOM 49 CA GLU A 49 261.462 272.905 240.593 1.00 0.00 C +ATOM 50 CA ASP A 50 259.571 275.692 242.373 1.00 0.00 C +ATOM 51 CA THR A 51 260.238 279.441 242.249 1.00 0.00 C +ATOM 52 CA VAL A 52 262.252 281.077 245.039 1.00 0.00 C +ATOM 53 CA GLY A 53 263.228 282.704 248.343 1.00 0.00 C +ATOM 54 CA THR A 54 260.891 284.493 250.763 1.00 0.00 C +ATOM 55 CA ASN A 55 257.359 283.162 250.246 1.00 0.00 C +ATOM 56 CA GLN A 56 254.974 286.108 250.633 1.00 0.00 C +ATOM 57 CA SER A 57 256.794 288.612 252.855 1.00 0.00 C +ATOM 58 CA PRO A 58 260.030 289.072 254.814 1.00 0.00 C +ATOM 59 CA ILE A 59 260.261 289.208 258.614 1.00 0.00 C +ATOM 60 CA ASP A 60 260.304 286.458 261.250 1.00 0.00 C +ATOM 61 CA LEU A 61 261.758 287.839 264.489 1.00 0.00 C +ATOM 62 CA VAL A 62 264.927 286.366 266.006 1.00 0.00 C +ATOM 63 CA MET A 63 268.142 284.845 264.640 1.00 0.00 C +ATOM 64 CA ILE A 64 267.774 281.127 263.894 1.00 0.00 C +ATOM 65 CA ASP A 65 266.095 278.570 261.623 1.00 0.00 C +ATOM 66 CA ASP A 66 267.341 275.059 262.424 1.00 0.00 C +ATOM 67 CA ASN A 67 264.710 273.071 264.332 1.00 0.00 C +ATOM 68 CA THR A 68 262.507 271.213 266.825 1.00 0.00 C +ATOM 69 CA PRO A 69 264.473 268.942 269.169 1.00 0.00 C +ATOM 70 CA ILE A 70 266.707 267.608 271.951 1.00 0.00 C +ATOM 71 CA ASN A 71 268.701 264.454 272.724 1.00 0.00 C +ATOM 72 CA ALA A 72 271.072 262.883 270.189 1.00 0.00 C +ATOM 73 CA ASN A 73 273.953 261.357 268.217 1.00 0.00 C +ATOM 74 CA LYS A 74 273.666 257.797 266.891 1.00 0.00 C +ATOM 75 CA THR A 75 275.041 255.012 269.098 1.00 0.00 C +ATOM 76 CA LYS A 76 273.630 251.501 269.544 1.00 0.00 C +ATOM 77 CA LYS A 77 273.878 248.756 272.174 1.00 0.00 C +ATOM 78 CA ARG A 78 271.525 245.782 272.546 1.00 0.00 C +ATOM 79 CA GLN A 79 270.360 243.133 270.068 1.00 0.00 C +ATOM 80 CA LEU A 80 273.017 240.964 268.410 1.00 0.00 C +ATOM 81 CA SER A 81 273.537 237.252 269.095 1.00 0.00 C +ATOM 82 CA ASP A 82 271.623 234.669 267.051 1.00 0.00 C +ATOM 83 CA LEU A 83 269.784 232.622 264.415 1.00 0.00 C +ATOM 84 CA CYS A 84 270.101 233.084 260.647 1.00 0.00 C +ATOM 85 CA ASP A 85 273.672 233.517 259.391 1.00 0.00 C +ATOM 86 CA GLY A 86 275.500 236.346 257.610 1.00 0.00 C +ATOM 87 CA GLU A 87 273.061 238.471 255.597 1.00 0.00 C +ATOM 88 CA ILE A 88 269.810 237.487 253.871 1.00 0.00 C +ATOM 89 CA ASP A 89 267.118 235.643 255.838 1.00 0.00 C +ATOM 90 CA GLN A 90 263.845 236.797 257.409 1.00 0.00 C +ATOM 91 CA PRO A 91 262.110 238.433 260.381 1.00 0.00 C +ATOM 92 CA ILE A 92 261.214 238.805 264.065 1.00 0.00 C +ATOM 93 CA LYS A 93 262.013 238.820 267.790 1.00 0.00 C +ATOM 94 CA PRO A 94 261.413 241.210 270.697 1.00 0.00 C +ATOM 95 CA LYS A 95 263.464 244.270 271.668 1.00 0.00 C +ATOM 96 CA ARG A 96 262.861 246.208 274.892 1.00 0.00 C +ATOM 97 CA SER A 97 259.724 245.316 276.862 1.00 0.00 C +ATOM 98 CA TYR A 98 258.698 244.569 280.455 1.00 0.00 C +ATOM 99 CA ASN A 99 258.418 243.935 284.201 1.00 0.00 C +ATOM 100 CA LYS A 100 259.847 243.567 287.714 1.00 0.00 C +ATOM 101 CA LYS A 101 257.742 241.794 290.348 1.00 0.00 C +ATOM 102 CA GLY A 102 259.067 238.280 290.992 1.00 0.00 C +ATOM 103 CA GLY A 103 260.707 235.321 292.743 1.00 0.00 C +ATOM 104 CA ARG A 104 263.030 233.108 290.689 1.00 0.00 C +ATOM 105 CA GLY A 105 266.813 233.208 290.243 1.00 0.00 C +ATOM 106 CA GLY A 106 269.141 235.280 292.435 1.00 0.00 C +ATOM 107 CA ARG A 107 271.266 238.338 293.241 1.00 0.00 C +ATOM 108 CA GLY A 108 270.115 241.330 291.182 1.00 0.00 C +ATOM 109 CA LYS A 109 268.225 243.611 293.578 1.00 0.00 C +ATOM 110 CA LYS A 110 264.501 243.480 294.373 1.00 0.00 C +TER 111 LYS A 110 +END diff --git a/Fungi/A0A2I1G446/A0A2I1G446.dcd b/Fungi/A0A2I1G446/A0A2I1G446.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8c273e9c3e49cf946522c2bcb181a761c10dfd74 --- /dev/null +++ b/Fungi/A0A2I1G446/A0A2I1G446.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:02efeafcd0056c41c548ea94af88557bff8c1aeb69d9df2ab164a2f88f88da5a +size 18080276 diff --git a/Fungi/A0A2I1G446/top.pdb b/Fungi/A0A2I1G446/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..be626e5c66b48c7716ea89fca3e5e87bd466a3e9 --- /dev/null +++ b/Fungi/A0A2I1G446/top.pdb @@ -0,0 +1,148 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 236.802 221.922 151.416 1.00 0.00 C +ATOM 2 CA THR A 2 236.272 218.433 149.981 1.00 0.00 C +ATOM 3 CA ILE A 3 239.081 216.105 151.078 1.00 0.00 C +ATOM 4 CA HIS A 4 240.974 216.909 154.286 1.00 0.00 C +ATOM 5 CA PRO A 5 242.554 219.335 156.763 1.00 0.00 C +ATOM 6 CA GLU A 6 245.888 219.807 158.546 1.00 0.00 C +ATOM 7 CA GLU A 7 246.814 221.021 162.037 1.00 0.00 C +ATOM 8 CA LEU A 8 244.583 223.539 163.824 1.00 0.00 C +ATOM 9 CA ALA A 9 242.498 226.498 162.635 1.00 0.00 C +ATOM 10 CA GLU A 10 241.966 230.007 164.020 1.00 0.00 C +ATOM 11 CA GLU A 11 242.597 232.913 166.402 1.00 0.00 C +ATOM 12 CA VAL A 12 240.664 235.369 168.581 1.00 0.00 C +ATOM 13 CA GLY A 13 239.190 234.715 172.033 1.00 0.00 C +ATOM 14 CA PRO A 14 239.185 237.900 174.124 1.00 0.00 C +ATOM 15 CA VAL A 15 239.164 240.896 176.477 1.00 0.00 C +ATOM 16 CA SER A 16 236.455 242.740 178.420 1.00 0.00 C +ATOM 17 CA SER A 17 236.353 243.906 182.045 1.00 0.00 C +ATOM 18 CA GLU A 18 233.698 242.724 184.509 1.00 0.00 C +ATOM 19 CA GLU A 19 230.541 240.648 184.019 1.00 0.00 C +ATOM 20 CA GLU A 20 228.758 238.339 186.470 1.00 0.00 C +ATOM 21 CA ASN A 21 227.399 234.847 187.158 1.00 0.00 C +ATOM 22 CA GLU A 22 224.491 235.268 189.583 1.00 0.00 C +ATOM 23 CA LEU A 23 224.147 232.093 191.662 1.00 0.00 C +ATOM 24 CA SER A 24 223.674 230.023 194.825 1.00 0.00 C +ATOM 25 CA THR A 25 220.377 229.498 196.662 1.00 0.00 C +ATOM 26 CA GLN A 26 217.275 229.237 198.858 1.00 0.00 C +ATOM 27 CA PRO A 27 216.247 232.148 201.091 1.00 0.00 C +ATOM 28 CA VAL A 28 214.801 235.423 202.395 1.00 0.00 C +ATOM 29 CA GLY A 29 217.266 237.835 204.013 1.00 0.00 C +ATOM 30 CA THR A 30 215.707 241.308 204.188 1.00 0.00 C +ATOM 31 CA LEU A 31 217.687 244.491 204.866 1.00 0.00 C +ATOM 32 CA LYS A 32 219.890 247.194 206.402 1.00 0.00 C +ATOM 33 CA LEU A 33 223.358 246.149 207.585 1.00 0.00 C +ATOM 34 CA ARG A 34 225.368 243.867 205.289 1.00 0.00 C +ATOM 35 CA GLY A 35 228.987 243.270 206.321 1.00 0.00 C +ATOM 36 CA ASP A 36 232.236 244.169 208.096 1.00 0.00 C +ATOM 37 CA GLY A 37 234.377 246.739 209.920 1.00 0.00 C +ATOM 38 CA ASP A 38 236.898 248.999 211.667 1.00 0.00 C +ATOM 39 CA GLY A 39 237.553 247.842 215.237 1.00 0.00 C +ATOM 40 CA GLN A 40 239.780 246.157 217.829 1.00 0.00 C +ATOM 41 CA SER A 41 242.549 245.622 220.391 1.00 0.00 C +ATOM 42 CA SER A 42 244.183 247.244 223.427 1.00 0.00 C +ATOM 43 CA GLY A 43 245.885 250.528 222.515 1.00 0.00 C +ATOM 44 CA ARG A 44 247.246 250.327 218.962 1.00 0.00 C +ATOM 45 CA LYS A 45 250.655 251.958 218.476 1.00 0.00 C +ATOM 46 CA VAL A 46 250.602 255.370 220.171 1.00 0.00 C +ATOM 47 CA LYS A 47 252.014 258.668 221.454 1.00 0.00 C +ATOM 48 CA TRP A 48 254.086 261.349 223.196 1.00 0.00 C +ATOM 49 CA ASP A 49 256.822 261.462 225.845 1.00 0.00 C +ATOM 50 CA ASP A 50 259.788 261.725 228.222 1.00 0.00 C +ATOM 51 CA THR A 51 261.060 258.395 229.565 1.00 0.00 C +ATOM 52 CA VAL A 52 263.376 255.501 230.447 1.00 0.00 C +ATOM 53 CA VAL A 53 264.152 253.226 227.491 1.00 0.00 C +ATOM 54 CA ASP A 54 265.656 249.753 227.060 1.00 0.00 C +ATOM 55 CA ASN A 55 265.765 246.238 228.527 1.00 0.00 C +ATOM 56 CA GLU A 56 262.326 244.634 228.869 1.00 0.00 C +ATOM 57 CA GLY A 57 258.662 244.657 227.824 1.00 0.00 C +ATOM 58 CA LEU A 58 256.008 242.868 229.891 1.00 0.00 C +ATOM 59 CA GLY A 59 254.137 244.599 232.723 1.00 0.00 C +ATOM 60 CA ARG A 60 254.956 243.760 236.348 1.00 0.00 C +ATOM 61 CA LYS A 61 257.209 240.852 237.340 1.00 0.00 C +ATOM 62 CA LYS A 62 257.362 237.584 235.387 1.00 0.00 C +ATOM 63 CA SER A 63 260.939 236.756 234.369 1.00 0.00 C +ATOM 64 CA LYS A 64 263.043 239.877 233.783 1.00 0.00 C +ATOM 65 CA ILE A 65 263.317 242.891 236.097 1.00 0.00 C +ATOM 66 CA CYS A 66 265.191 245.869 234.635 1.00 0.00 C +ATOM 67 CA CYS A 67 264.480 249.189 236.365 1.00 0.00 C +ATOM 68 CA ILE A 68 264.028 252.511 238.175 1.00 0.00 C +ATOM 69 CA TYR A 69 260.859 254.606 238.460 1.00 0.00 C +ATOM 70 CA HIS A 70 258.390 257.505 238.332 1.00 0.00 C +ATOM 71 CA LYS A 71 258.062 261.165 239.341 1.00 0.00 C +ATOM 72 CA PRO A 72 260.049 264.414 239.431 1.00 0.00 C +ATOM 73 CA ARG A 73 258.453 267.807 238.754 1.00 0.00 C +ATOM 74 CA ALA A 74 260.445 270.347 240.779 1.00 0.00 C +ATOM 75 CA PHE A 75 261.194 270.670 244.501 1.00 0.00 C +ATOM 76 CA GLY A 76 260.694 270.579 248.277 1.00 0.00 C +ATOM 77 CA GLU A 77 263.987 271.422 249.996 1.00 0.00 C +ATOM 78 CA SER A 78 266.336 268.454 249.559 1.00 0.00 C +ATOM 79 CA SER A 79 268.812 265.591 249.993 1.00 0.00 C +ATOM 80 CA ASP A 80 268.423 261.967 251.102 1.00 0.00 C +ATOM 81 CA GLU A 81 270.869 260.990 253.855 1.00 0.00 C +ATOM 82 CA ASP A 82 269.274 259.344 256.898 1.00 0.00 C +ATOM 83 CA SER A 83 268.134 255.962 258.231 1.00 0.00 C +ATOM 84 CA SER A 84 265.471 255.499 260.917 1.00 0.00 C +ATOM 85 CA SER A 85 261.944 254.105 260.556 1.00 0.00 C +ATOM 86 CA ASP A 86 260.573 250.703 261.590 1.00 0.00 C +ATOM 87 CA ASP A 87 257.741 250.531 264.132 1.00 0.00 C +ATOM 88 CA SER A 88 256.242 253.723 265.573 1.00 0.00 C +ATOM 89 CA ASP A 89 257.417 256.823 263.696 1.00 0.00 C +ATOM 90 CA ASP A 90 257.606 260.273 262.090 1.00 0.00 C +ATOM 91 CA SER A 91 254.653 262.308 263.377 1.00 0.00 C +ATOM 92 CA ASP A 92 250.908 262.298 264.078 1.00 0.00 C +ATOM 93 CA HIS A 93 249.750 261.146 267.521 1.00 0.00 C +ATOM 94 CA GLY A 94 251.724 261.688 270.734 1.00 0.00 C +ATOM 95 CA HIS A 95 255.382 262.196 269.796 1.00 0.00 C +ATOM 96 CA ASP A 96 257.721 264.629 271.565 1.00 0.00 C +ATOM 97 CA HIS A 97 260.651 267.018 272.040 1.00 0.00 C +ATOM 98 CA ASP A 98 263.117 267.392 274.920 1.00 0.00 C +ATOM 99 CA HIS A 99 261.718 268.289 278.349 1.00 0.00 C +ATOM 100 CA LYS A 100 259.094 266.211 280.169 1.00 0.00 C +ATOM 101 CA ASN A 101 257.284 263.193 281.628 1.00 0.00 C +ATOM 102 CA GLY A 102 255.239 263.047 284.839 1.00 0.00 C +ATOM 103 CA HIS A 103 253.323 264.774 287.643 1.00 0.00 C +ATOM 104 CA HIS A 104 249.981 264.190 289.377 1.00 0.00 C +ATOM 105 CA PRO A 105 248.189 263.503 292.668 1.00 0.00 C +ATOM 106 CA ASP A 106 250.290 261.265 294.925 1.00 0.00 C +ATOM 107 CA LYS A 107 253.573 259.644 295.979 1.00 0.00 C +ATOM 108 CA CYS A 108 255.863 257.190 297.782 1.00 0.00 C +ATOM 109 CA TYR A 109 256.137 253.687 299.255 1.00 0.00 C +ATOM 110 CA ARG A 110 253.706 250.983 298.116 1.00 0.00 C +ATOM 111 CA ASN A 111 249.996 250.161 297.846 1.00 0.00 C +ATOM 112 CA THR A 112 247.673 247.328 298.891 1.00 0.00 C +ATOM 113 CA PRO A 113 247.382 245.110 301.975 1.00 0.00 C +ATOM 114 CA ASN A 114 250.643 243.408 302.970 1.00 0.00 C +ATOM 115 CA ALA A 115 253.507 245.716 303.962 1.00 0.00 C +ATOM 116 CA TYR A 116 252.891 247.375 307.336 1.00 0.00 C +ATOM 117 CA GLU A 117 249.535 248.621 308.641 1.00 0.00 C +ATOM 118 CA ARG A 118 247.469 250.652 311.116 1.00 0.00 C +ATOM 119 CA GLN A 119 246.676 254.244 312.107 1.00 0.00 C +ATOM 120 CA PRO A 120 248.115 255.506 315.402 1.00 0.00 C +ATOM 121 CA GLN A 121 247.769 254.956 319.156 1.00 0.00 C +ATOM 122 CA TYR A 122 251.223 255.621 320.621 1.00 0.00 C +ATOM 123 CA LYS A 123 250.616 257.765 323.712 1.00 0.00 C +ATOM 124 CA ASN A 124 251.659 261.296 322.731 1.00 0.00 C +ATOM 125 CA ARG A 125 250.189 264.312 324.537 1.00 0.00 C +ATOM 126 CA PRO A 126 251.017 267.820 325.773 1.00 0.00 C +ATOM 127 CA ARG A 127 254.786 267.785 326.328 1.00 0.00 C +ATOM 128 CA PRO A 128 257.951 266.074 327.582 1.00 0.00 C +ATOM 129 CA PRO A 129 259.795 263.988 324.980 1.00 0.00 C +ATOM 130 CA ILE A 130 260.630 261.735 322.024 1.00 0.00 C +ATOM 131 CA PRO A 131 260.418 258.116 323.196 1.00 0.00 C +ATOM 132 CA ASN A 132 260.431 254.751 324.984 1.00 0.00 C +ATOM 133 CA PRO A 133 261.694 252.422 327.721 1.00 0.00 C +ATOM 134 CA GLU A 134 264.630 250.325 328.946 1.00 0.00 C +ATOM 135 CA PRO A 135 264.757 247.231 331.166 1.00 0.00 C +ATOM 136 CA ARG A 136 265.333 248.148 334.819 1.00 0.00 C +ATOM 137 CA ASP A 137 262.724 250.117 336.776 1.00 0.00 C +ATOM 138 CA ASN A 138 259.455 249.436 338.611 1.00 0.00 C +ATOM 139 CA PRO A 139 258.093 252.492 340.434 1.00 0.00 C +ATOM 140 CA THR A 140 255.795 253.062 343.419 1.00 0.00 C +ATOM 141 CA SER A 141 252.595 251.018 343.109 1.00 0.00 C +ATOM 142 CA PRO A 142 249.543 251.248 345.377 1.00 0.00 C +ATOM 143 CA SER A 143 250.015 254.095 347.864 1.00 0.00 C +ATOM 144 CA SER A 144 248.668 257.244 346.195 1.00 0.00 C +TER 145 SER A 144 +END diff --git a/Fungi/A0A2I2FBZ9/A0A2I2FBZ9.dcd b/Fungi/A0A2I2FBZ9/A0A2I2FBZ9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b5b7e839cd172f274de7a465f2c951108d29c00f --- /dev/null +++ b/Fungi/A0A2I2FBZ9/A0A2I2FBZ9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d49d4bf32c66cc5ca2784dc8ed225e9a3061493578e5df53cba301788c024237 +size 8360276 diff --git a/Fungi/A0A2I2FBZ9/top.pdb b/Fungi/A0A2I2FBZ9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9fd508131bb2f8049e32fe670526a596192ca3a9 --- /dev/null +++ b/Fungi/A0A2I2FBZ9/top.pdb @@ -0,0 +1,67 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 251.082 257.139 245.651 1.00 0.00 C +ATOM 2 CA PRO A 2 253.389 254.834 247.621 1.00 0.00 C +ATOM 3 CA ASN A 3 254.527 252.073 245.255 1.00 0.00 C +ATOM 4 CA LYS A 4 254.447 248.288 245.676 1.00 0.00 C +ATOM 5 CA ALA A 5 257.254 245.790 246.304 1.00 0.00 C +ATOM 6 CA ASN A 6 258.029 242.544 248.143 1.00 0.00 C +ATOM 7 CA GLU A 7 258.621 238.793 247.834 1.00 0.00 C +ATOM 8 CA SER A 8 258.385 236.402 244.878 1.00 0.00 C +ATOM 9 CA ASN A 9 261.221 234.017 243.989 1.00 0.00 C +ATOM 10 CA SER A 10 262.830 231.657 246.510 1.00 0.00 C +ATOM 11 CA THR A 11 264.034 230.058 249.752 1.00 0.00 C +ATOM 12 CA LEU A 12 267.081 227.991 250.732 1.00 0.00 C +ATOM 13 CA GLY A 13 269.696 229.848 252.788 1.00 0.00 C +ATOM 14 CA SER A 14 271.992 232.035 250.675 1.00 0.00 C +ATOM 15 CA THR A 15 272.988 235.455 252.026 1.00 0.00 C +ATOM 16 CA GLY A 16 274.819 238.175 253.967 1.00 0.00 C +ATOM 17 CA SER A 17 276.793 240.168 251.388 1.00 0.00 C +ATOM 18 CA GLY A 18 276.129 243.920 251.399 1.00 0.00 C +ATOM 19 CA ASP A 19 273.162 244.836 249.191 1.00 0.00 C +ATOM 20 CA ARG A 20 269.359 244.648 249.330 1.00 0.00 C +ATOM 21 CA VAL A 21 267.066 242.797 251.744 1.00 0.00 C +ATOM 22 CA VAL A 22 266.900 239.909 254.224 1.00 0.00 C +ATOM 23 CA VAL A 23 263.939 237.671 253.366 1.00 0.00 C +ATOM 24 CA THR A 24 260.682 238.571 255.127 1.00 0.00 C +ATOM 25 CA ASP A 25 257.228 236.976 255.325 1.00 0.00 C +ATOM 26 CA LEU A 26 255.305 237.250 258.602 1.00 0.00 C +ATOM 27 CA ARG A 27 256.265 239.395 261.601 1.00 0.00 C +ATOM 28 CA GLY A 28 257.379 242.576 263.378 1.00 0.00 C +ATOM 29 CA SER A 29 256.385 245.984 261.995 1.00 0.00 C +ATOM 30 CA ASN A 30 253.194 247.764 260.916 1.00 0.00 C +ATOM 31 CA GLY A 31 250.338 248.616 263.289 1.00 0.00 C +ATOM 32 CA ALA A 32 250.084 252.140 264.714 1.00 0.00 C +ATOM 33 CA ARG A 33 250.484 255.912 264.350 1.00 0.00 C +ATOM 34 CA ARG A 34 246.960 257.356 264.451 1.00 0.00 C +ATOM 35 CA SER A 35 245.400 257.783 261.001 1.00 0.00 C +ATOM 36 CA GLN A 36 245.093 257.929 257.207 1.00 0.00 C +ATOM 37 CA PRO A 37 245.855 256.261 253.867 1.00 0.00 C +ATOM 38 CA PRO A 38 243.837 255.221 250.807 1.00 0.00 C +ATOM 39 CA VAL A 39 242.192 252.381 248.872 1.00 0.00 C +ATOM 40 CA VAL A 40 239.351 254.027 246.940 1.00 0.00 C +ATOM 41 CA VAL A 41 235.793 254.315 248.272 1.00 0.00 C +ATOM 42 CA HIS A 42 234.687 256.473 251.210 1.00 0.00 C +ATOM 43 CA ASN A 43 233.425 256.447 254.805 1.00 0.00 C +ATOM 44 CA GLN A 44 231.759 253.297 256.153 1.00 0.00 C +ATOM 45 CA GLY A 45 228.701 253.244 258.425 1.00 0.00 C +ATOM 46 CA GLY A 46 227.834 256.250 260.599 1.00 0.00 C +ATOM 47 CA GLN A 47 230.196 259.134 259.810 1.00 0.00 C +ATOM 48 CA ILE A 48 232.323 261.569 257.794 1.00 0.00 C +ATOM 49 CA TYR A 49 234.270 264.458 256.251 1.00 0.00 C +ATOM 50 CA ASP A 50 235.780 266.948 253.795 1.00 0.00 C +ATOM 51 CA GLU A 51 239.502 266.143 253.674 1.00 0.00 C +ATOM 52 CA THR A 52 240.502 265.771 250.017 1.00 0.00 C +ATOM 53 CA ARG A 53 240.669 266.626 246.308 1.00 0.00 C +ATOM 54 CA PRO A 54 241.459 264.234 243.449 1.00 0.00 C +ATOM 55 CA ALA A 55 242.512 264.053 239.792 1.00 0.00 C +ATOM 56 CA ASP A 56 243.073 263.356 236.089 1.00 0.00 C +ATOM 57 CA TRP A 57 240.130 263.160 233.678 1.00 0.00 C +ATOM 58 CA ASP A 58 237.985 262.515 230.595 1.00 0.00 C +ATOM 59 CA LYS A 59 235.037 260.639 229.077 1.00 0.00 C +ATOM 60 CA GLN A 60 234.792 256.860 229.501 1.00 0.00 C +ATOM 61 CA ARG A 61 232.185 255.350 227.170 1.00 0.00 C +ATOM 62 CA TRP A 62 229.802 255.366 224.197 1.00 0.00 C +ATOM 63 CA LYS A 63 227.806 258.601 224.455 1.00 0.00 C +TER 64 LYS A 63 +END diff --git a/Fungi/A0A2I2GCX0/A0A2I2GCX0.dcd b/Fungi/A0A2I2GCX0/A0A2I2GCX0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c4b8ea7c024824188e00758a7601b793ab329016 --- /dev/null +++ b/Fungi/A0A2I2GCX0/A0A2I2GCX0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9ae1d2f3e1c259aac71ca5a07c1db29bc80acc85d1c1918261aef7969a20741c +size 37740276 diff --git a/Fungi/A0A2I2GCX0/top.pdb b/Fungi/A0A2I2GCX0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..01f88b1c09d4715b3a1fa890a29e1adb462dd7a0 --- /dev/null +++ b/Fungi/A0A2I2GCX0/top.pdb @@ -0,0 +1,207 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 272.011 193.751 223.949 1.00 0.00 C +ATOM 2 CA PRO A 2 272.413 195.648 220.670 1.00 0.00 C +ATOM 3 CA LEU A 3 270.178 197.681 218.348 1.00 0.00 C +ATOM 4 CA ARG A 4 270.433 198.000 214.560 1.00 0.00 C +ATOM 5 CA ASP A 5 267.892 198.236 211.731 1.00 0.00 C +ATOM 6 CA ILE A 6 265.971 201.525 211.815 1.00 0.00 C +ATOM 7 CA LEU A 7 264.523 202.489 208.426 1.00 0.00 C +ATOM 8 CA GLN A 8 266.725 201.913 205.371 1.00 0.00 C +ATOM 9 CA LYS A 9 267.739 200.349 202.048 1.00 0.00 C +ATOM 10 CA LYS A 10 267.380 202.769 199.126 1.00 0.00 C +ATOM 11 CA ASP A 11 266.231 206.362 199.660 1.00 0.00 C +ATOM 12 CA LYS A 12 265.384 209.908 200.765 1.00 0.00 C +ATOM 13 CA ILE A 13 263.091 210.602 203.728 1.00 0.00 C +ATOM 14 CA GLY A 14 261.236 210.207 207.032 1.00 0.00 C +ATOM 15 CA ASP A 15 261.142 213.245 209.329 1.00 0.00 C +ATOM 16 CA ASN A 16 262.378 214.940 212.509 1.00 0.00 C +ATOM 17 CA SER A 17 265.432 212.932 213.585 1.00 0.00 C +ATOM 18 CA ALA A 18 268.908 213.342 212.080 1.00 0.00 C +ATOM 19 CA GLN A 19 272.629 212.925 211.375 1.00 0.00 C +ATOM 20 CA TYR A 20 274.563 211.156 214.139 1.00 0.00 C +ATOM 21 CA SER A 21 275.017 212.718 217.584 1.00 0.00 C +ATOM 22 CA ALA A 22 276.914 216.000 217.961 1.00 0.00 C +ATOM 23 CA GLY A 23 275.476 219.033 216.159 1.00 0.00 C +ATOM 24 CA VAL A 24 277.063 222.101 217.766 1.00 0.00 C +ATOM 25 CA PRO A 25 280.259 224.145 217.409 1.00 0.00 C +ATOM 26 CA SER A 26 283.053 222.185 219.103 1.00 0.00 C +ATOM 27 CA THR A 27 286.547 222.852 217.738 1.00 0.00 C +ATOM 28 CA THR A 28 289.621 223.630 215.626 1.00 0.00 C +ATOM 29 CA LEU A 29 290.882 227.223 215.491 1.00 0.00 C +ATOM 30 CA SER A 30 287.917 229.363 216.559 1.00 0.00 C +ATOM 31 CA PRO A 31 288.317 231.488 219.696 1.00 0.00 C +ATOM 32 CA VAL A 32 287.602 234.574 221.814 1.00 0.00 C +ATOM 33 CA PRO A 33 288.339 237.720 223.832 1.00 0.00 C +ATOM 34 CA ASP A 34 288.223 240.330 226.606 1.00 0.00 C +ATOM 35 CA ILE A 35 289.644 239.907 230.116 1.00 0.00 C +ATOM 36 CA THR A 36 292.032 239.075 232.966 1.00 0.00 C +ATOM 37 CA PHE A 37 293.370 239.120 236.533 1.00 0.00 C +ATOM 38 CA VAL A 38 293.828 238.039 240.157 1.00 0.00 C +ATOM 39 CA ARG A 39 291.908 240.267 242.579 1.00 0.00 C +ATOM 40 CA SER A 40 291.708 242.577 245.602 1.00 0.00 C +ATOM 41 CA ASP A 41 288.402 243.322 247.343 1.00 0.00 C +ATOM 42 CA THR A 42 286.846 243.510 250.816 1.00 0.00 C +ATOM 43 CA THR A 43 284.513 244.026 253.783 1.00 0.00 C +ATOM 44 CA THR A 44 283.149 247.095 255.583 1.00 0.00 C +ATOM 45 CA HIS A 45 282.527 250.264 253.561 1.00 0.00 C +ATOM 46 CA GLU A 46 284.686 249.855 250.449 1.00 0.00 C +ATOM 47 CA VAL A 47 283.189 251.918 247.617 1.00 0.00 C +ATOM 48 CA ILE A 48 283.844 251.468 243.891 1.00 0.00 C +ATOM 49 CA ARG A 49 283.682 249.114 240.900 1.00 0.00 C +ATOM 50 CA PRO A 50 281.681 246.088 242.065 1.00 0.00 C +ATOM 51 CA PRO A 51 278.949 244.886 244.433 1.00 0.00 C +ATOM 52 CA ILE A 52 275.447 245.283 245.880 1.00 0.00 C +ATOM 53 CA TYR A 53 273.057 248.202 246.411 1.00 0.00 C +ATOM 54 CA GLU A 54 272.940 251.305 248.618 1.00 0.00 C +ATOM 55 CA GLY A 55 272.275 250.121 252.178 1.00 0.00 C +ATOM 56 CA ASP A 56 269.124 251.788 253.522 1.00 0.00 C +ATOM 57 CA ARG A 57 266.146 249.882 252.102 1.00 0.00 C +ATOM 58 CA ASP A 58 264.387 250.777 248.843 1.00 0.00 C +ATOM 59 CA VAL A 59 261.651 253.421 248.651 1.00 0.00 C +ATOM 60 CA ASP A 60 260.709 254.730 252.103 1.00 0.00 C +ATOM 61 CA GLN A 61 257.012 253.891 252.483 1.00 0.00 C +ATOM 62 CA ARG A 62 254.820 256.712 253.809 1.00 0.00 C +ATOM 63 CA HIS A 63 253.344 260.140 253.045 1.00 0.00 C +ATOM 64 CA ALA A 64 250.906 262.304 255.016 1.00 0.00 C +ATOM 65 CA ALA A 65 247.822 264.493 255.482 1.00 0.00 C +ATOM 66 CA TYR A 66 246.919 267.593 257.504 1.00 0.00 C +ATOM 67 CA LEU A 67 248.648 270.520 255.784 1.00 0.00 C +ATOM 68 CA ASP A 68 251.213 273.337 255.764 1.00 0.00 C +ATOM 69 CA PRO A 69 254.316 275.524 255.440 1.00 0.00 C +ATOM 70 CA SER A 70 257.540 275.243 257.450 1.00 0.00 C +ATOM 71 CA ARG A 71 259.266 272.960 259.965 1.00 0.00 C +ATOM 72 CA PRO A 72 261.761 273.112 262.841 1.00 0.00 C +ATOM 73 CA SER A 73 262.790 269.594 263.882 1.00 0.00 C +ATOM 74 CA SER A 74 262.352 266.357 265.842 1.00 0.00 C +ATOM 75 CA SER A 75 265.548 264.324 265.436 1.00 0.00 C +ATOM 76 CA SER A 76 265.271 260.902 263.782 1.00 0.00 C +ATOM 77 CA HIS A 77 262.061 258.862 263.558 1.00 0.00 C +ATOM 78 CA ARG A 78 259.456 260.015 261.029 1.00 0.00 C +ATOM 79 CA ARG A 79 257.822 256.803 259.793 1.00 0.00 C +ATOM 80 CA SER A 80 260.732 254.527 258.859 1.00 0.00 C +ATOM 81 CA LEU A 81 259.956 250.839 259.421 1.00 0.00 C +ATOM 82 CA ASN A 82 261.240 249.970 262.901 1.00 0.00 C +ATOM 83 CA PRO A 83 261.752 248.036 266.144 1.00 0.00 C +ATOM 84 CA PHE A 84 263.383 246.471 269.211 1.00 0.00 C +ATOM 85 CA SER A 85 263.700 246.878 272.986 1.00 0.00 C +ATOM 86 CA ARG A 86 266.476 245.902 275.406 1.00 0.00 C +ATOM 87 CA SER A 87 269.362 244.723 277.595 1.00 0.00 C +ATOM 88 CA ARG A 88 269.465 244.437 281.393 1.00 0.00 C +ATOM 89 CA SER A 89 271.383 241.308 282.417 1.00 0.00 C +ATOM 90 CA PRO A 90 272.871 237.882 283.168 1.00 0.00 C +ATOM 91 CA SER A 91 270.338 235.038 283.046 1.00 0.00 C +ATOM 92 CA GLU A 92 267.840 232.495 281.703 1.00 0.00 C +ATOM 93 CA SER A 93 265.179 229.768 281.748 1.00 0.00 C +ATOM 94 CA GLN A 94 261.822 228.116 282.468 1.00 0.00 C +ATOM 95 CA GLY A 95 259.282 226.880 285.025 1.00 0.00 C +ATOM 96 CA SER A 96 258.796 227.168 288.793 1.00 0.00 C +ATOM 97 CA SER A 97 256.170 229.366 290.463 1.00 0.00 C +ATOM 98 CA SER A 98 255.623 233.108 290.001 1.00 0.00 C +ATOM 99 CA PRO A 99 257.025 235.352 287.259 1.00 0.00 C +ATOM 100 CA SER A 100 260.475 236.420 286.045 1.00 0.00 C +ATOM 101 CA ARG A 101 263.197 234.895 288.232 1.00 0.00 C +ATOM 102 CA ALA A 102 266.628 235.041 289.882 1.00 0.00 C +ATOM 103 CA ARG A 103 267.816 232.677 292.624 1.00 0.00 C +ATOM 104 CA GLY A 104 270.889 231.427 294.496 1.00 0.00 C +ATOM 105 CA GLU A 105 274.118 232.690 296.077 1.00 0.00 C +ATOM 106 CA ARG A 106 274.945 234.172 299.488 1.00 0.00 C +ATOM 107 CA ARG A 107 276.136 237.334 301.249 1.00 0.00 C +ATOM 108 CA LEU A 108 275.642 240.675 299.485 1.00 0.00 C +ATOM 109 CA SER A 109 273.263 240.716 296.509 1.00 0.00 C +ATOM 110 CA HIS A 110 269.663 240.038 295.462 1.00 0.00 C +ATOM 111 CA LEU A 111 266.042 239.419 296.472 1.00 0.00 C +ATOM 112 CA LEU A 112 262.726 237.982 297.678 1.00 0.00 C +ATOM 113 CA HIS A 113 259.793 236.928 295.487 1.00 0.00 C +ATOM 114 CA ARG A 114 256.083 237.684 295.060 1.00 0.00 C +ATOM 115 CA ASP A 115 256.003 240.932 293.071 1.00 0.00 C +ATOM 116 CA ARG A 116 254.357 242.224 289.887 1.00 0.00 C +ATOM 117 CA ARG A 117 254.301 246.020 290.205 1.00 0.00 C +ATOM 118 CA ASN A 118 252.850 249.356 289.073 1.00 0.00 C +ATOM 119 CA SER A 119 255.618 251.950 288.710 1.00 0.00 C +ATOM 120 CA SER A 120 257.702 252.822 285.642 1.00 0.00 C +ATOM 121 CA ALA A 121 256.787 255.096 282.725 1.00 0.00 C +ATOM 122 CA ASN A 122 253.584 255.888 280.820 1.00 0.00 C +ATOM 123 CA SER A 123 253.466 257.247 277.263 1.00 0.00 C +ATOM 124 CA VAL A 124 250.988 259.797 275.893 1.00 0.00 C +ATOM 125 CA ASN A 125 247.971 258.110 274.291 1.00 0.00 C +ATOM 126 CA VAL A 126 244.272 258.226 273.383 1.00 0.00 C +ATOM 127 CA PRO A 127 241.896 255.411 272.410 1.00 0.00 C +ATOM 128 CA ALA A 128 242.145 252.614 269.835 1.00 0.00 C +ATOM 129 CA ASP A 129 239.536 253.321 267.149 1.00 0.00 C +ATOM 130 CA LEU A 130 236.673 255.564 268.285 1.00 0.00 C +ATOM 131 CA PRO A 131 237.137 259.334 267.982 1.00 0.00 C +ATOM 132 CA GLN A 132 237.537 263.111 268.283 1.00 0.00 C +ATOM 133 CA ILE A 133 237.255 264.340 271.878 1.00 0.00 C +ATOM 134 CA THR A 134 234.931 262.339 274.139 1.00 0.00 C +ATOM 135 CA ASP A 135 231.934 260.754 275.878 1.00 0.00 C +ATOM 136 CA ASP A 136 228.750 258.686 276.201 1.00 0.00 C +ATOM 137 CA LYS A 137 225.582 260.609 275.319 1.00 0.00 C +ATOM 138 CA GLY A 138 222.175 259.573 273.965 1.00 0.00 C +ATOM 139 CA ASN A 139 219.259 261.758 272.852 1.00 0.00 C +ATOM 140 CA GLU A 140 216.847 264.701 273.050 1.00 0.00 C +ATOM 141 CA GLN A 141 214.267 266.307 275.347 1.00 0.00 C +ATOM 142 CA ASP A 142 211.647 268.920 276.258 1.00 0.00 C +ATOM 143 CA THR A 143 211.320 272.340 277.905 1.00 0.00 C +ATOM 144 CA GLU A 144 210.459 276.051 277.973 1.00 0.00 C +ATOM 145 CA ALA A 145 213.380 277.924 276.398 1.00 0.00 C +ATOM 146 CA GLN A 146 215.753 280.336 274.648 1.00 0.00 C +ATOM 147 CA TRP A 147 219.002 278.810 273.370 1.00 0.00 C +ATOM 148 CA GLU A 148 221.128 276.585 275.617 1.00 0.00 C +ATOM 149 CA LYS A 149 221.482 273.159 273.988 1.00 0.00 C +ATOM 150 CA ARG A 150 218.135 271.359 274.262 1.00 0.00 C +ATOM 151 CA ALA A 151 215.588 272.283 271.583 1.00 0.00 C +ATOM 152 CA THR A 152 216.136 272.367 267.814 1.00 0.00 C +ATOM 153 CA MET A 153 215.872 269.845 264.970 1.00 0.00 C +ATOM 154 CA LEU A 154 214.487 266.614 266.439 1.00 0.00 C +ATOM 155 CA VAL A 155 217.491 264.279 266.643 1.00 0.00 C +ATOM 156 CA GLN A 156 219.370 263.352 263.461 1.00 0.00 C +ATOM 157 CA ARG A 157 217.385 261.538 260.761 1.00 0.00 C +ATOM 158 CA ASN A 158 215.867 258.413 262.324 1.00 0.00 C +ATOM 159 CA PRO A 159 216.752 254.884 263.457 1.00 0.00 C +ATOM 160 CA GLN A 160 218.002 252.576 266.219 1.00 0.00 C +ATOM 161 CA PHE A 161 218.510 248.807 265.996 1.00 0.00 C +ATOM 162 CA ALA A 162 216.366 246.174 264.268 1.00 0.00 C +ATOM 163 CA GLY A 163 213.549 243.754 263.418 1.00 0.00 C +ATOM 164 CA PRO A 164 213.184 242.285 259.921 1.00 0.00 C +ATOM 165 CA LEU A 165 212.827 244.612 256.926 1.00 0.00 C +ATOM 166 CA SER A 166 212.514 242.560 253.730 1.00 0.00 C +ATOM 167 CA PRO A 167 211.927 243.368 250.053 1.00 0.00 C +ATOM 168 CA THR A 168 209.910 242.915 246.853 1.00 0.00 C +ATOM 169 CA SER A 169 211.835 244.437 243.939 1.00 0.00 C +ATOM 170 CA SER A 170 210.041 246.973 241.732 1.00 0.00 C +ATOM 171 CA ALA A 171 207.784 248.122 238.886 1.00 0.00 C +ATOM 172 CA GLY A 172 207.340 248.136 235.102 1.00 0.00 C +ATOM 173 CA PHE A 173 206.387 248.494 231.431 1.00 0.00 C +ATOM 174 CA GLY A 174 207.929 247.047 228.261 1.00 0.00 C +ATOM 175 CA PRO A 175 210.015 249.056 225.785 1.00 0.00 C +ATOM 176 CA THR A 176 210.045 252.374 223.914 1.00 0.00 C +ATOM 177 CA SER A 177 209.739 255.926 222.568 1.00 0.00 C +ATOM 178 CA PRO A 178 211.475 258.621 220.510 1.00 0.00 C +ATOM 179 CA MET A 179 214.598 259.998 218.817 1.00 0.00 C +ATOM 180 CA SER A 180 216.856 262.046 216.531 1.00 0.00 C +ATOM 181 CA ARG A 181 216.140 265.297 214.678 1.00 0.00 C +ATOM 182 CA SER A 182 216.094 268.590 216.594 1.00 0.00 C +ATOM 183 CA ARG A 183 215.380 271.883 218.372 1.00 0.00 C +ATOM 184 CA SER A 184 216.326 275.565 218.108 1.00 0.00 C +ATOM 185 CA SER A 185 219.290 276.562 220.283 1.00 0.00 C +ATOM 186 CA SER A 186 221.658 279.361 219.242 1.00 0.00 C +ATOM 187 CA HIS A 187 223.170 279.676 215.760 1.00 0.00 C +ATOM 188 CA SER A 188 223.020 280.358 212.014 1.00 0.00 C +ATOM 189 CA GLY A 189 225.476 281.598 209.378 1.00 0.00 C +ATOM 190 CA VAL A 190 224.122 284.270 207.024 1.00 0.00 C +ATOM 191 CA MET A 191 224.280 287.717 205.409 1.00 0.00 C +ATOM 192 CA ASP A 192 226.580 290.464 206.704 1.00 0.00 C +ATOM 193 CA ARG A 193 227.903 293.310 204.544 1.00 0.00 C +ATOM 194 CA GLU A 194 229.148 294.548 201.162 1.00 0.00 C +ATOM 195 CA GLY A 195 227.372 296.880 198.729 1.00 0.00 C +ATOM 196 CA ASP A 196 224.669 298.779 200.627 1.00 0.00 C +ATOM 197 CA VAL A 197 221.498 299.909 198.842 1.00 0.00 C +ATOM 198 CA SER A 198 220.392 300.331 195.221 1.00 0.00 C +ATOM 199 CA ALA A 199 221.047 303.912 194.096 1.00 0.00 C +ATOM 200 CA ILE A 200 221.256 307.230 195.957 1.00 0.00 C +ATOM 201 CA ARG A 201 224.092 309.455 197.191 1.00 0.00 C +ATOM 202 CA SER A 202 226.564 311.171 199.528 1.00 0.00 C +ATOM 203 CA SER A 203 228.760 313.279 201.819 1.00 0.00 C +TER 204 SER A 203 +END diff --git a/Fungi/A0A2J5HCX2/A0A2J5HCX2.dcd b/Fungi/A0A2J5HCX2/A0A2J5HCX2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..6f50a5af296675d785648d5b86017073944f00f0 --- /dev/null +++ b/Fungi/A0A2J5HCX2/A0A2J5HCX2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:12bb75622be45093363bb15db6aaa001827b8d980a40ffd3bf691fe996b0f687 +size 9920276 diff --git a/Fungi/A0A2J5HCX2/top.pdb b/Fungi/A0A2J5HCX2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ef758cfb1163463d1cc2435552dfce272e89b12c --- /dev/null +++ b/Fungi/A0A2J5HCX2/top.pdb @@ -0,0 +1,80 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 252.152 264.658 270.578 1.00 0.00 C +ATOM 2 CA GLY A 2 249.278 266.869 269.409 1.00 0.00 C +ATOM 3 CA ASN A 3 248.489 269.746 267.038 1.00 0.00 C +ATOM 4 CA ALA A 4 246.632 270.828 263.893 1.00 0.00 C +ATOM 5 CA GLN A 5 244.242 273.066 261.945 1.00 0.00 C +ATOM 6 CA LYS A 6 241.235 270.927 260.996 1.00 0.00 C +ATOM 7 CA TRP A 7 240.000 270.717 257.398 1.00 0.00 C +ATOM 8 CA ILE A 8 240.430 267.884 254.886 1.00 0.00 C +ATOM 9 CA THR A 9 240.260 266.446 251.362 1.00 0.00 C +ATOM 10 CA PRO A 10 242.653 268.129 248.922 1.00 0.00 C +ATOM 11 CA GLY A 11 246.347 268.921 248.426 1.00 0.00 C +ATOM 12 CA GLY A 12 249.989 268.139 249.227 1.00 0.00 C +ATOM 13 CA MET A 13 253.371 267.929 250.969 1.00 0.00 C +ATOM 14 CA THR A 14 257.130 267.350 251.184 1.00 0.00 C +ATOM 15 CA THR A 15 259.925 265.538 253.034 1.00 0.00 C +ATOM 16 CA ARG A 16 263.418 266.808 252.198 1.00 0.00 C +ATOM 17 CA GLN A 17 265.704 269.853 252.050 1.00 0.00 C +ATOM 18 CA PRO A 18 269.473 269.295 251.992 1.00 0.00 C +ATOM 19 CA ALA A 19 270.341 265.660 251.249 1.00 0.00 C +ATOM 20 CA SER A 20 270.024 264.290 247.708 1.00 0.00 C +ATOM 21 CA LYS A 21 268.718 260.722 247.990 1.00 0.00 C +ATOM 22 CA GLY A 22 268.034 259.003 251.321 1.00 0.00 C +ATOM 23 CA ARG A 23 267.155 258.229 254.946 1.00 0.00 C +ATOM 24 CA GLY A 24 265.415 258.787 258.289 1.00 0.00 C +ATOM 25 CA ALA A 25 262.294 256.602 258.349 1.00 0.00 C +ATOM 26 CA GLU A 26 258.672 257.482 257.564 1.00 0.00 C +ATOM 27 CA PRO A 27 256.381 259.337 255.149 1.00 0.00 C +ATOM 28 CA TRP A 28 254.490 261.997 257.116 1.00 0.00 C +ATOM 29 CA ARG A 29 255.370 263.417 260.540 1.00 0.00 C +ATOM 30 CA SER A 30 253.175 262.004 263.315 1.00 0.00 C +ATOM 31 CA PRO A 31 249.905 260.116 262.809 1.00 0.00 C +ATOM 32 CA ILE A 32 249.153 257.159 260.527 1.00 0.00 C +ATOM 33 CA GLN A 33 247.718 255.745 257.293 1.00 0.00 C +ATOM 34 CA SER A 34 247.727 252.264 255.744 1.00 0.00 C +ATOM 35 CA SER A 35 248.699 251.583 252.124 1.00 0.00 C +ATOM 36 CA PRO A 36 248.001 248.327 250.273 1.00 0.00 C +ATOM 37 CA PRO A 37 248.710 245.618 252.857 1.00 0.00 C +ATOM 38 CA SER A 38 248.988 241.848 253.326 1.00 0.00 C +ATOM 39 CA PRO A 39 250.219 238.300 252.681 1.00 0.00 C +ATOM 40 CA CYS A 40 252.868 236.047 251.125 1.00 0.00 C +ATOM 41 CA GLU A 41 254.748 233.332 253.025 1.00 0.00 C +ATOM 42 CA VAL A 42 257.082 231.725 255.572 1.00 0.00 C +ATOM 43 CA GLU A 43 259.315 234.324 257.237 1.00 0.00 C +ATOM 44 CA THR A 44 261.063 233.080 260.386 1.00 0.00 C +ATOM 45 CA THR A 45 262.489 231.535 263.563 1.00 0.00 C +ATOM 46 CA SER A 46 259.534 230.874 265.876 1.00 0.00 C +ATOM 47 CA LEU A 47 257.341 228.412 263.966 1.00 0.00 C +ATOM 48 CA PRO A 48 254.579 230.326 262.169 1.00 0.00 C +ATOM 49 CA ASN A 49 253.877 234.064 261.942 1.00 0.00 C +ATOM 50 CA THR A 50 253.122 237.722 261.194 1.00 0.00 C +ATOM 51 CA GLY A 51 255.840 239.390 259.108 1.00 0.00 C +ATOM 52 CA GLU A 52 258.808 240.582 257.039 1.00 0.00 C +ATOM 53 CA SER A 53 261.572 240.089 254.462 1.00 0.00 C +ATOM 54 CA TYR A 54 262.239 242.988 252.082 1.00 0.00 C +ATOM 55 CA THR A 55 262.191 245.160 248.952 1.00 0.00 C +ATOM 56 CA GLU A 56 260.595 248.515 248.109 1.00 0.00 C +ATOM 57 CA TYR A 57 258.161 247.990 245.225 1.00 0.00 C +ATOM 58 CA ARG A 58 255.045 250.126 244.730 1.00 0.00 C +ATOM 59 CA VAL A 59 251.908 248.011 245.181 1.00 0.00 C +ATOM 60 CA HIS A 60 250.175 245.499 242.900 1.00 0.00 C +ATOM 61 CA GLU A 61 248.824 243.440 239.992 1.00 0.00 C +ATOM 62 CA ILE A 62 247.198 241.186 237.386 1.00 0.00 C +ATOM 63 CA PRO A 63 243.628 239.883 237.119 1.00 0.00 C +ATOM 64 CA PRO A 64 241.726 236.957 235.590 1.00 0.00 C +ATOM 65 CA TYR A 65 239.098 235.237 233.433 1.00 0.00 C +ATOM 66 CA SER A 66 236.671 236.752 230.917 1.00 0.00 C +ATOM 67 CA GLY A 67 235.019 234.133 228.698 1.00 0.00 C +ATOM 68 CA GLN A 68 231.339 233.903 227.738 1.00 0.00 C +ATOM 69 CA PRO A 69 228.266 233.593 225.507 1.00 0.00 C +ATOM 70 CA PRO A 70 224.952 233.830 227.373 1.00 0.00 C +ATOM 71 CA SER A 71 223.480 237.245 226.544 1.00 0.00 C +ATOM 72 CA SER A 72 222.633 238.675 223.116 1.00 0.00 C +ATOM 73 CA SER A 73 220.695 236.794 220.429 1.00 0.00 C +ATOM 74 CA THR A 74 218.581 234.080 222.069 1.00 0.00 C +ATOM 75 CA ILE A 75 217.246 232.154 225.073 1.00 0.00 C +ATOM 76 CA THR A 76 218.176 230.755 228.493 1.00 0.00 C +TER 77 THR A 76 +END diff --git a/Fungi/A0A2J6TCL4/A0A2J6TCL4.dcd b/Fungi/A0A2J6TCL4/A0A2J6TCL4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a8a6140f0e6a02c34884e11e7c1129b7dbf5ab3f --- /dev/null +++ b/Fungi/A0A2J6TCL4/A0A2J6TCL4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:86fe174da660322afa0640daa756138f8a18e4766d9d2149b47ccb1404c55677 +size 9920276 diff --git a/Fungi/A0A2J6TCL4/top.pdb b/Fungi/A0A2J6TCL4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..cbc7ea8efefc21db250eb0949587062b2d3d7a7f --- /dev/null +++ b/Fungi/A0A2J6TCL4/top.pdb @@ -0,0 +1,80 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 258.356 265.422 211.343 1.00 0.00 C +ATOM 2 CA LEU A 2 256.653 262.421 209.728 1.00 0.00 C +ATOM 3 CA ARG A 3 255.127 260.220 212.438 1.00 0.00 C +ATOM 4 CA ARG A 4 253.441 256.811 212.219 1.00 0.00 C +ATOM 5 CA ARG A 5 253.687 253.066 212.877 1.00 0.00 C +ATOM 6 CA GLY A 6 254.906 250.011 210.954 1.00 0.00 C +ATOM 7 CA THR A 7 256.303 246.476 210.696 1.00 0.00 C +ATOM 8 CA ARG A 8 260.017 246.784 211.485 1.00 0.00 C +ATOM 9 CA ALA A 9 262.969 248.958 210.447 1.00 0.00 C +ATOM 10 CA ARG A 10 265.049 251.950 211.561 1.00 0.00 C +ATOM 11 CA GLY A 11 263.003 255.134 211.992 1.00 0.00 C +ATOM 12 CA HIS A 12 261.500 255.189 215.493 1.00 0.00 C +ATOM 13 CA PRO A 13 262.474 253.664 218.846 1.00 0.00 C +ATOM 14 CA SER A 14 262.069 253.806 222.631 1.00 0.00 C +ATOM 15 CA PRO A 15 262.927 254.895 226.180 1.00 0.00 C +ATOM 16 CA LYS A 16 264.591 256.669 229.113 1.00 0.00 C +ATOM 17 CA HIS A 17 267.459 258.694 230.593 1.00 0.00 C +ATOM 18 CA LEU A 18 269.163 262.001 231.416 1.00 0.00 C +ATOM 19 CA GLU A 19 272.237 261.185 233.513 1.00 0.00 C +ATOM 20 CA GLN A 20 274.925 259.532 235.648 1.00 0.00 C +ATOM 21 CA GLU A 21 277.400 257.143 237.287 1.00 0.00 C +ATOM 22 CA GLU A 22 277.588 254.277 239.790 1.00 0.00 C +ATOM 23 CA LYS A 23 277.757 254.652 243.578 1.00 0.00 C +ATOM 24 CA GLN A 24 276.846 252.662 246.696 1.00 0.00 C +ATOM 25 CA GLU A 25 276.199 254.192 250.125 1.00 0.00 C +ATOM 26 CA GLU A 26 277.082 255.008 253.740 1.00 0.00 C +ATOM 27 CA LYS A 27 274.280 256.977 255.411 1.00 0.00 C +ATOM 28 CA GLN A 28 271.699 254.501 256.723 1.00 0.00 C +ATOM 29 CA LYS A 29 268.867 253.175 254.547 1.00 0.00 C +ATOM 30 CA GLU A 30 265.813 252.318 252.436 1.00 0.00 C +ATOM 31 CA LYS A 31 262.392 252.814 250.833 1.00 0.00 C +ATOM 32 CA GLN A 32 259.181 254.054 249.199 1.00 0.00 C +ATOM 33 CA GLU A 33 255.968 255.970 248.478 1.00 0.00 C +ATOM 34 CA GLU A 34 252.310 255.015 248.008 1.00 0.00 C +ATOM 35 CA LYS A 35 248.602 254.318 248.538 1.00 0.00 C +ATOM 36 CA GLN A 36 246.259 255.022 245.618 1.00 0.00 C +ATOM 37 CA LYS A 37 243.045 253.157 246.459 1.00 0.00 C +ATOM 38 CA GLU A 38 239.934 255.351 246.596 1.00 0.00 C +ATOM 39 CA LYS A 39 239.708 258.966 247.778 1.00 0.00 C +ATOM 40 CA GLN A 40 237.416 260.081 250.610 1.00 0.00 C +ATOM 41 CA GLU A 41 238.160 259.919 254.343 1.00 0.00 C +ATOM 42 CA GLU A 42 235.350 259.148 256.797 1.00 0.00 C +ATOM 43 CA LYS A 43 232.004 260.970 256.744 1.00 0.00 C +ATOM 44 CA GLN A 44 228.844 263.037 256.240 1.00 0.00 C +ATOM 45 CA GLU A 45 225.786 261.064 255.111 1.00 0.00 C +ATOM 46 CA GLU A 46 223.812 258.712 257.366 1.00 0.00 C +ATOM 47 CA GLN A 47 223.081 259.212 261.072 1.00 0.00 C +ATOM 48 CA GLN A 48 221.144 258.230 264.202 1.00 0.00 C +ATOM 49 CA GLU A 49 222.589 258.148 267.726 1.00 0.00 C +ATOM 50 CA LYS A 50 224.364 255.399 269.678 1.00 0.00 C +ATOM 51 CA GLN A 51 227.484 253.401 270.563 1.00 0.00 C +ATOM 52 CA ARG A 52 230.674 254.489 272.341 1.00 0.00 C +ATOM 53 CA ASP A 53 232.099 254.991 275.839 1.00 0.00 C +ATOM 54 CA GLN A 54 234.957 252.621 276.692 1.00 0.00 C +ATOM 55 CA GLN A 55 237.080 249.842 278.205 1.00 0.00 C +ATOM 56 CA LYS A 56 236.141 246.442 276.766 1.00 0.00 C +ATOM 57 CA GLY A 57 234.448 246.770 273.369 1.00 0.00 C +ATOM 58 CA GLN A 58 233.210 244.344 270.704 1.00 0.00 C +ATOM 59 CA GLN A 59 234.467 240.928 269.579 1.00 0.00 C +ATOM 60 CA GLU A 60 237.723 239.773 267.974 1.00 0.00 C +ATOM 61 CA LYS A 61 240.316 237.102 267.160 1.00 0.00 C +ATOM 62 CA GLN A 62 243.821 236.595 265.755 1.00 0.00 C +ATOM 63 CA THR A 63 247.231 234.907 265.552 1.00 0.00 C +ATOM 64 CA ASP A 64 249.574 236.472 268.117 1.00 0.00 C +ATOM 65 CA GLN A 65 251.542 238.508 270.666 1.00 0.00 C +ATOM 66 CA GLN A 66 252.415 237.222 274.145 1.00 0.00 C +ATOM 67 CA LYS A 67 251.299 235.634 277.424 1.00 0.00 C +ATOM 68 CA GLY A 68 249.943 232.112 277.941 1.00 0.00 C +ATOM 69 CA GLN A 69 246.425 231.415 276.654 1.00 0.00 C +ATOM 70 CA GLN A 70 243.469 232.972 274.824 1.00 0.00 C +ATOM 71 CA GLU A 71 240.746 231.733 272.464 1.00 0.00 C +ATOM 72 CA LYS A 72 241.717 228.923 270.081 1.00 0.00 C +ATOM 73 CA GLN A 73 241.195 225.310 271.170 1.00 0.00 C +ATOM 74 CA THR A 74 239.647 223.062 268.512 1.00 0.00 C +ATOM 75 CA ASP A 75 240.355 224.452 265.035 1.00 0.00 C +ATOM 76 CA GLN A 76 241.687 223.602 261.568 1.00 0.00 C +TER 77 GLN A 76 +END diff --git a/Fungi/A0A2J6TSM4/A0A2J6TSM4.dcd b/Fungi/A0A2J6TSM4/A0A2J6TSM4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..fa3fb83419a15c86e6db3dc71973bfea5bc008d1 --- /dev/null +++ b/Fungi/A0A2J6TSM4/A0A2J6TSM4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9b797ad070ddf0526c36598335f81c4e9402df2510475c8e1894e9ba34ec28bb +size 10400276 diff --git a/Fungi/A0A2J6TSM4/top.pdb b/Fungi/A0A2J6TSM4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ea5a03c1dca551ca0cb7a36b30f8bc4db9570c15 --- /dev/null +++ b/Fungi/A0A2J6TSM4/top.pdb @@ -0,0 +1,84 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 231.608 252.602 254.694 1.00 0.00 C +ATOM 2 CA VAL A 2 231.533 256.146 253.298 1.00 0.00 C +ATOM 3 CA THR A 3 231.813 259.927 252.918 1.00 0.00 C +ATOM 4 CA PHE A 4 233.333 261.290 256.135 1.00 0.00 C +ATOM 5 CA MET A 5 233.592 264.170 258.616 1.00 0.00 C +ATOM 6 CA THR A 6 232.847 267.685 257.350 1.00 0.00 C +ATOM 7 CA GLN A 7 232.922 271.432 258.037 1.00 0.00 C +ATOM 8 CA ARG A 8 233.705 274.655 256.163 1.00 0.00 C +ATOM 9 CA PRO A 9 230.401 276.542 255.977 1.00 0.00 C +ATOM 10 CA HIS A 10 228.090 275.432 253.158 1.00 0.00 C +ATOM 11 CA HIS A 11 226.511 274.483 249.823 1.00 0.00 C +ATOM 12 CA LEU A 12 223.174 273.197 248.509 1.00 0.00 C +ATOM 13 CA ARG A 13 221.953 272.122 245.064 1.00 0.00 C +ATOM 14 CA SER A 14 223.113 270.542 241.797 1.00 0.00 C +ATOM 15 CA LEU A 15 224.117 266.960 242.619 1.00 0.00 C +ATOM 16 CA ALA A 16 225.372 263.462 241.778 1.00 0.00 C +ATOM 17 CA LEU A 17 226.738 260.359 243.517 1.00 0.00 C +ATOM 18 CA LEU A 18 226.683 256.928 241.860 1.00 0.00 C +ATOM 19 CA SER A 19 230.200 255.488 242.129 1.00 0.00 C +ATOM 20 CA LEU A 20 230.667 251.934 240.839 1.00 0.00 C +ATOM 21 CA PRO A 21 234.164 250.641 241.625 1.00 0.00 C +ATOM 22 CA ASP A 22 234.844 248.618 244.782 1.00 0.00 C +ATOM 23 CA SER A 23 232.178 246.074 245.748 1.00 0.00 C +ATOM 24 CA GLN A 24 233.570 243.663 248.350 1.00 0.00 C +ATOM 25 CA LYS A 25 235.961 242.092 250.865 1.00 0.00 C +ATOM 26 CA THR A 26 238.834 240.570 252.852 1.00 0.00 C +ATOM 27 CA THR A 27 242.406 240.255 254.140 1.00 0.00 C +ATOM 28 CA GLN A 28 243.061 237.784 256.965 1.00 0.00 C +ATOM 29 CA SER A 29 245.525 239.430 259.361 1.00 0.00 C +ATOM 30 CA TRP A 30 244.180 241.821 262.005 1.00 0.00 C +ATOM 31 CA ASP A 31 245.960 244.399 264.173 1.00 0.00 C +ATOM 32 CA SER A 32 249.320 243.642 265.802 1.00 0.00 C +ATOM 33 CA ARG A 33 250.965 240.291 265.037 1.00 0.00 C +ATOM 34 CA ASN A 34 251.754 239.842 261.336 1.00 0.00 C +ATOM 35 CA GLY A 35 251.648 240.088 257.536 1.00 0.00 C +ATOM 36 CA PRO A 36 249.412 240.748 254.523 1.00 0.00 C +ATOM 37 CA ARG A 37 248.352 243.356 251.955 1.00 0.00 C +ATOM 38 CA PRO A 38 247.801 244.669 248.421 1.00 0.00 C +ATOM 39 CA GLN A 39 249.436 246.295 245.388 1.00 0.00 C +ATOM 40 CA ILE A 40 246.733 248.310 243.611 1.00 0.00 C +ATOM 41 CA GLU A 41 247.538 247.934 239.906 1.00 0.00 C +ATOM 42 CA GLU A 42 245.810 249.997 237.209 1.00 0.00 C +ATOM 43 CA SER A 43 243.634 248.201 234.649 1.00 0.00 C +ATOM 44 CA GLN A 44 240.879 246.152 232.997 1.00 0.00 C +ATOM 45 CA PRO A 45 238.808 242.957 233.141 1.00 0.00 C +ATOM 46 CA THR A 46 237.033 242.779 236.508 1.00 0.00 C +ATOM 47 CA GLN A 47 238.224 244.864 239.466 1.00 0.00 C +ATOM 48 CA SER A 48 240.145 242.789 242.019 1.00 0.00 C +ATOM 49 CA TRP A 49 238.220 240.205 244.054 1.00 0.00 C +ATOM 50 CA ASP A 50 240.879 238.076 245.760 1.00 0.00 C +ATOM 51 CA SER A 51 244.248 239.555 246.749 1.00 0.00 C +ATOM 52 CA ARG A 52 247.125 238.668 244.413 1.00 0.00 C +ATOM 53 CA ASP A 53 248.397 241.361 242.038 1.00 0.00 C +ATOM 54 CA LEU A 54 248.131 240.828 238.275 1.00 0.00 C +ATOM 55 CA PRO A 55 250.371 243.299 236.433 1.00 0.00 C +ATOM 56 CA PRO A 56 253.901 243.144 237.858 1.00 0.00 C +ATOM 57 CA ASP A 57 256.990 245.145 236.873 1.00 0.00 C +ATOM 58 CA SER A 58 257.101 248.892 236.191 1.00 0.00 C +ATOM 59 CA LEU A 59 259.297 250.777 238.669 1.00 0.00 C +ATOM 60 CA GLU A 60 258.456 250.327 242.358 1.00 0.00 C +ATOM 61 CA ILE A 61 260.712 251.446 245.217 1.00 0.00 C +ATOM 62 CA PRO A 62 263.106 252.858 247.824 1.00 0.00 C +ATOM 63 CA SER A 63 266.885 252.986 247.353 1.00 0.00 C +ATOM 64 CA PRO A 64 270.027 251.179 246.180 1.00 0.00 C +ATOM 65 CA PRO A 65 272.895 250.449 248.579 1.00 0.00 C +ATOM 66 CA LEU A 66 274.427 246.964 248.431 1.00 0.00 C +ATOM 67 CA PHE A 67 274.489 243.422 249.834 1.00 0.00 C +ATOM 68 CA VAL A 68 276.611 243.274 252.995 1.00 0.00 C +ATOM 69 CA PRO A 69 277.604 241.517 256.227 1.00 0.00 C +ATOM 70 CA ASP A 70 278.351 240.654 259.862 1.00 0.00 C +ATOM 71 CA SER A 71 280.209 239.001 262.748 1.00 0.00 C +ATOM 72 CA GLN A 72 283.227 241.146 263.645 1.00 0.00 C +ATOM 73 CA ALA A 73 283.270 244.381 261.633 1.00 0.00 C +ATOM 74 CA ASP A 74 286.884 245.529 261.267 1.00 0.00 C +ATOM 75 CA SER A 75 290.542 246.348 260.581 1.00 0.00 C +ATOM 76 CA SER A 76 292.989 246.316 263.501 1.00 0.00 C +ATOM 77 CA GLN A 77 296.253 248.120 264.280 1.00 0.00 C +ATOM 78 CA GLU A 78 295.477 250.703 266.971 1.00 0.00 C +ATOM 79 CA LEU A 79 294.402 254.215 267.982 1.00 0.00 C +ATOM 80 CA SER A 80 291.974 255.601 270.571 1.00 0.00 C +TER 81 SER A 80 +END diff --git a/Fungi/A0A2K0UK09/A0A2K0UK09.dcd b/Fungi/A0A2K0UK09/A0A2K0UK09.dcd new file mode 100644 index 0000000000000000000000000000000000000000..06403b7eb3ccfb7b20eec493c7baa4692aa01278 --- /dev/null +++ b/Fungi/A0A2K0UK09/A0A2K0UK09.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f057a0ad6439ef57b532774af354f654cf50b544e0d2d55a16486a9c301ab095 +size 10040276 diff --git a/Fungi/A0A2K0UK09/top.pdb b/Fungi/A0A2K0UK09/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9d4f84ca2dd4bccb4841f35a8a3456e1f1c84de4 --- /dev/null +++ b/Fungi/A0A2K0UK09/top.pdb @@ -0,0 +1,81 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 240.135 275.651 263.641 1.00 0.00 C +ATOM 2 CA LEU A 2 241.141 272.161 264.791 1.00 0.00 C +ATOM 3 CA LEU A 3 243.874 269.879 266.146 1.00 0.00 C +ATOM 4 CA GLY A 4 246.473 267.840 268.044 1.00 0.00 C +ATOM 5 CA ARG A 5 249.910 269.429 268.466 1.00 0.00 C +ATOM 6 CA LYS A 6 251.326 272.966 268.480 1.00 0.00 C +ATOM 7 CA ARG A 7 255.051 272.507 267.823 1.00 0.00 C +ATOM 8 CA LYS A 8 257.785 270.753 265.832 1.00 0.00 C +ATOM 9 CA SER A 9 259.472 270.308 262.445 1.00 0.00 C +ATOM 10 CA SER A 10 258.370 268.688 259.178 1.00 0.00 C +ATOM 11 CA ARG A 11 254.833 267.274 259.089 1.00 0.00 C +ATOM 12 CA ARG A 12 251.642 266.699 257.089 1.00 0.00 C +ATOM 13 CA ARG A 13 249.620 263.800 258.512 1.00 0.00 C +ATOM 14 CA ARG A 14 250.602 260.300 259.652 1.00 0.00 C +ATOM 15 CA GLU A 15 252.631 258.580 262.380 1.00 0.00 C +ATOM 16 CA LYS A 16 254.423 255.285 261.711 1.00 0.00 C +ATOM 17 CA ARG A 17 252.090 252.286 261.434 1.00 0.00 C +ATOM 18 CA SER A 18 253.081 248.619 261.137 1.00 0.00 C +ATOM 19 CA ALA A 19 251.845 246.968 257.934 1.00 0.00 C +ATOM 20 CA VAL A 20 248.266 246.533 256.701 1.00 0.00 C +ATOM 21 CA THR A 21 246.655 248.447 253.828 1.00 0.00 C +ATOM 22 CA ALA A 22 245.792 251.918 255.139 1.00 0.00 C +ATOM 23 CA SER A 23 246.244 255.621 255.917 1.00 0.00 C +ATOM 24 CA ASP A 24 243.888 258.564 256.469 1.00 0.00 C +ATOM 25 CA GLY A 25 241.669 261.425 257.653 1.00 0.00 C +ATOM 26 CA ALA A 26 240.201 264.888 258.262 1.00 0.00 C +ATOM 27 CA ALA A 27 237.201 266.197 260.212 1.00 0.00 C +ATOM 28 CA ASP A 28 234.490 268.033 262.158 1.00 0.00 C +ATOM 29 CA ASP A 29 233.077 267.333 265.627 1.00 0.00 C +ATOM 30 CA ASP A 30 232.518 263.575 265.913 1.00 0.00 C +ATOM 31 CA ALA A 31 233.747 260.549 263.951 1.00 0.00 C +ATOM 32 CA GLY A 32 234.745 258.797 260.719 1.00 0.00 C +ATOM 33 CA GLY A 33 233.242 255.537 259.441 1.00 0.00 C +ATOM 34 CA SER A 34 234.886 252.669 261.334 1.00 0.00 C +ATOM 35 CA SER A 35 236.574 253.820 264.550 1.00 0.00 C +ATOM 36 CA ALA A 36 239.893 251.975 264.858 1.00 0.00 C +ATOM 37 CA GLY A 37 242.491 249.796 263.121 1.00 0.00 C +ATOM 38 CA LEU A 38 242.630 247.003 260.534 1.00 0.00 C +ATOM 39 CA GLU A 39 240.060 246.109 257.866 1.00 0.00 C +ATOM 40 CA ALA A 40 240.533 243.798 254.875 1.00 0.00 C +ATOM 41 CA GLY A 41 242.487 240.541 254.570 1.00 0.00 C +ATOM 42 CA ASP A 42 246.076 240.984 255.771 1.00 0.00 C +ATOM 43 CA VAL A 43 246.927 237.987 257.964 1.00 0.00 C +ATOM 44 CA GLY A 44 250.598 238.461 258.869 1.00 0.00 C +ATOM 45 CA GLY A 45 253.528 240.608 257.720 1.00 0.00 C +ATOM 46 CA ARG A 46 254.005 241.683 254.096 1.00 0.00 C +ATOM 47 CA LYS A 47 250.843 241.860 251.979 1.00 0.00 C +ATOM 48 CA LEU A 48 250.420 244.864 249.673 1.00 0.00 C +ATOM 49 CA ARG A 49 250.199 247.550 246.981 1.00 0.00 C +ATOM 50 CA SER A 50 251.304 249.637 243.991 1.00 0.00 C +ATOM 51 CA GLU A 51 250.545 251.533 240.774 1.00 0.00 C +ATOM 52 CA ARG A 52 252.536 250.406 237.727 1.00 0.00 C +ATOM 53 CA TYR A 53 251.346 247.788 235.227 1.00 0.00 C +ATOM 54 CA ARG A 54 253.048 246.289 232.166 1.00 0.00 C +ATOM 55 CA ARG A 55 254.186 243.441 229.906 1.00 0.00 C +ATOM 56 CA LYS A 56 257.899 244.083 229.342 1.00 0.00 C +ATOM 57 CA TRP A 57 259.956 246.811 227.656 1.00 0.00 C +ATOM 58 CA ASP A 58 263.568 245.598 227.602 1.00 0.00 C +ATOM 59 CA GLY A 59 265.807 248.286 226.094 1.00 0.00 C +ATOM 60 CA PRO A 60 269.401 248.650 227.303 1.00 0.00 C +ATOM 61 CA GLN A 61 270.315 246.119 230.000 1.00 0.00 C +ATOM 62 CA PRO A 62 271.325 246.422 233.661 1.00 0.00 C +ATOM 63 CA GLU A 63 271.756 242.840 234.886 1.00 0.00 C +ATOM 64 CA GLN A 64 270.321 239.494 236.008 1.00 0.00 C +ATOM 65 CA ARG A 65 268.159 236.525 234.993 1.00 0.00 C +ATOM 66 CA GLU A 66 265.398 234.087 234.021 1.00 0.00 C +ATOM 67 CA ILE A 67 263.010 231.484 235.449 1.00 0.00 C +ATOM 68 CA TRP A 68 262.313 227.758 235.062 1.00 0.00 C +ATOM 69 CA ILE A 69 259.202 226.202 236.616 1.00 0.00 C +ATOM 70 CA ARG A 70 255.703 226.628 235.169 1.00 0.00 C +ATOM 71 CA PRO A 71 252.624 228.622 234.141 1.00 0.00 C +ATOM 72 CA SER A 72 249.217 229.235 232.549 1.00 0.00 C +ATOM 73 CA ALA A 73 246.442 231.108 230.730 1.00 0.00 C +ATOM 74 CA SER A 74 245.134 228.616 228.163 1.00 0.00 C +ATOM 75 CA ALA A 75 241.866 228.528 226.207 1.00 0.00 C +ATOM 76 CA GLY A 76 240.267 225.171 227.035 1.00 0.00 C +ATOM 77 CA GLY A 77 239.162 221.525 226.989 1.00 0.00 C +TER 78 GLY A 77 +END diff --git a/Fungi/A0A2K0UNZ6/A0A2K0UNZ6.dcd b/Fungi/A0A2K0UNZ6/A0A2K0UNZ6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f3a4e62f2ecb73fafb3e05e9bd2d0e44a9ac9c45 --- /dev/null +++ b/Fungi/A0A2K0UNZ6/A0A2K0UNZ6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:91ea1a38bed5458e23dee66c6a86950894e969adf1841c91f7af35690e531a0e +size 5120276 diff --git a/Fungi/A0A2K0UNZ6/top.pdb b/Fungi/A0A2K0UNZ6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c6dd70927029f68d7c1c539d444f00e21b3793e4 --- /dev/null +++ b/Fungi/A0A2K0UNZ6/top.pdb @@ -0,0 +1,40 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 259.138 243.875 252.822 1.00 0.00 C +ATOM 2 CA ALA A 2 257.998 246.277 255.551 1.00 0.00 C +ATOM 3 CA ALA A 3 258.826 245.742 259.231 1.00 0.00 C +ATOM 4 CA MET A 4 258.175 242.989 261.783 1.00 0.00 C +ATOM 5 CA PHE A 5 257.327 243.364 265.478 1.00 0.00 C +ATOM 6 CA SER A 6 253.636 243.619 266.388 1.00 0.00 C +ATOM 7 CA GLN A 7 250.382 245.595 266.230 1.00 0.00 C +ATOM 8 CA ASN A 8 248.426 245.085 263.000 1.00 0.00 C +ATOM 9 CA PRO A 9 246.150 247.829 261.656 1.00 0.00 C +ATOM 10 CA LEU A 10 242.345 247.967 261.512 1.00 0.00 C +ATOM 11 CA MET A 11 239.792 249.506 259.140 1.00 0.00 C +ATOM 12 CA ASN A 12 239.659 251.705 256.031 1.00 0.00 C +ATOM 13 CA GLY A 13 237.615 250.308 253.135 1.00 0.00 C +ATOM 14 CA PRO A 14 235.759 249.427 249.927 1.00 0.00 C +ATOM 15 CA ASN A 15 237.643 250.990 247.007 1.00 0.00 C +ATOM 16 CA TYR A 16 240.266 253.584 247.959 1.00 0.00 C +ATOM 17 CA SER A 17 242.843 253.811 245.162 1.00 0.00 C +ATOM 18 CA PHE A 18 244.613 255.803 242.439 1.00 0.00 C +ATOM 19 CA SER A 19 248.407 255.876 242.091 1.00 0.00 C +ATOM 20 CA ASP A 20 251.020 257.190 244.531 1.00 0.00 C +ATOM 21 CA ALA A 21 253.895 259.193 243.034 1.00 0.00 C +ATOM 22 CA PRO A 22 257.204 258.963 244.909 1.00 0.00 C +ATOM 23 CA LYS A 23 256.837 257.926 248.556 1.00 0.00 C +ATOM 24 CA THR A 24 255.627 256.395 251.829 1.00 0.00 C +ATOM 25 CA ALA A 25 255.232 252.895 253.280 1.00 0.00 C +ATOM 26 CA HIS A 26 252.822 250.435 254.911 1.00 0.00 C +ATOM 27 CA GLY A 27 249.899 250.055 252.497 1.00 0.00 C +ATOM 28 CA GLU A 28 247.403 251.562 250.044 1.00 0.00 C +ATOM 29 CA PRO A 29 248.162 250.184 246.574 1.00 0.00 C +ATOM 30 CA ARG A 30 247.217 249.626 242.926 1.00 0.00 C +ATOM 31 CA GLN A 31 250.167 247.908 241.233 1.00 0.00 C +ATOM 32 CA HIS A 32 252.137 250.192 238.905 1.00 0.00 C +ATOM 33 CA ARG A 33 254.511 249.053 236.151 1.00 0.00 C +ATOM 34 CA PHE A 34 255.391 248.069 232.577 1.00 0.00 C +ATOM 35 CA ASN A 35 257.480 245.199 231.194 1.00 0.00 C +ATOM 36 CA PRO A 36 255.996 241.804 230.307 1.00 0.00 C +TER 37 PRO A 36 +END diff --git a/Fungi/A0A2K3QD25/A0A2K3QD25.dcd b/Fungi/A0A2K3QD25/A0A2K3QD25.dcd new file mode 100644 index 0000000000000000000000000000000000000000..74a8aa2fb0ea6e51b07e5d81758337c8a2c23a6e --- /dev/null +++ b/Fungi/A0A2K3QD25/A0A2K3QD25.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d58a29613347ccc32485b293bb3a71e8aa208457830cb220ad0836a885e89de6 +size 23600276 diff --git a/Fungi/A0A2K3QD25/top.pdb b/Fungi/A0A2K3QD25/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..fdac777322625479cd3663080d5edfdfda4c93aa --- /dev/null +++ b/Fungi/A0A2K3QD25/top.pdb @@ -0,0 +1,194 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 298.475 234.755 263.369 1.00 0.00 C +ATOM 2 CA ASP A 2 300.359 233.029 260.542 1.00 0.00 C +ATOM 3 CA ARG A 3 303.891 231.679 260.076 1.00 0.00 C +ATOM 4 CA PRO A 4 306.212 233.686 257.817 1.00 0.00 C +ATOM 5 CA ARG A 5 309.477 234.080 259.741 1.00 0.00 C +ATOM 6 CA SER A 6 312.045 231.472 258.683 1.00 0.00 C +ATOM 7 CA VAL A 7 311.415 227.841 259.650 1.00 0.00 C +ATOM 8 CA LEU A 8 309.738 225.356 262.001 1.00 0.00 C +ATOM 9 CA SER A 9 307.225 227.115 264.260 1.00 0.00 C +ATOM 10 CA SER A 10 303.492 226.907 264.997 1.00 0.00 C +ATOM 11 CA LEU A 11 300.277 226.424 263.011 1.00 0.00 C +ATOM 12 CA SER A 12 296.681 226.479 261.753 1.00 0.00 C +ATOM 13 CA HIS A 13 293.362 224.806 262.590 1.00 0.00 C +ATOM 14 CA HIS A 14 291.398 225.444 265.793 1.00 0.00 C +ATOM 15 CA THR A 15 290.474 225.694 269.480 1.00 0.00 C +ATOM 16 CA PRO A 16 291.648 222.901 271.791 1.00 0.00 C +ATOM 17 CA SER A 17 294.871 221.172 272.858 1.00 0.00 C +ATOM 18 CA SER A 18 295.594 218.066 270.772 1.00 0.00 C +ATOM 19 CA ASN A 19 292.997 216.057 268.841 1.00 0.00 C +ATOM 20 CA ARG A 20 289.905 214.600 270.523 1.00 0.00 C +ATOM 21 CA SER A 21 288.613 216.778 273.370 1.00 0.00 C +ATOM 22 CA SER A 22 288.436 214.692 276.553 1.00 0.00 C +ATOM 23 CA PRO A 23 285.134 213.978 278.315 1.00 0.00 C +ATOM 24 CA VAL A 24 283.137 217.173 278.885 1.00 0.00 C +ATOM 25 CA PHE A 25 284.591 220.223 280.646 1.00 0.00 C +ATOM 26 CA PRO A 26 286.856 221.985 278.140 1.00 0.00 C +ATOM 27 CA GLN A 27 290.293 223.227 279.215 1.00 0.00 C +ATOM 28 CA GLN A 28 290.075 226.967 279.906 1.00 0.00 C +ATOM 29 CA GLN A 29 292.078 229.024 282.411 1.00 0.00 C +ATOM 30 CA GLN A 30 294.869 228.595 284.969 1.00 0.00 C +ATOM 31 CA GLN A 31 296.472 227.900 288.355 1.00 0.00 C +ATOM 32 CA PHE A 32 294.127 228.596 291.275 1.00 0.00 C +ATOM 33 CA GLN A 33 294.475 226.719 294.573 1.00 0.00 C +ATOM 34 CA ASN A 34 291.996 226.875 297.462 1.00 0.00 C +ATOM 35 CA HIS A 35 288.405 227.527 298.554 1.00 0.00 C +ATOM 36 CA HIS A 36 286.804 229.386 301.469 1.00 0.00 C +ATOM 37 CA ASN A 37 284.081 231.918 300.637 1.00 0.00 C +ATOM 38 CA SER A 38 282.320 232.889 297.401 1.00 0.00 C +ATOM 39 CA PRO A 39 282.941 235.173 294.415 1.00 0.00 C +ATOM 40 CA TYR A 40 279.864 235.335 292.175 1.00 0.00 C +ATOM 41 CA ALA A 41 280.225 236.098 288.459 1.00 0.00 C +ATOM 42 CA SER A 42 281.707 237.486 285.235 1.00 0.00 C +ATOM 43 CA ALA A 43 283.078 239.858 282.588 1.00 0.00 C +ATOM 44 CA PRO A 44 283.145 239.265 278.825 1.00 0.00 C +ATOM 45 CA LEU A 45 282.998 237.628 275.388 1.00 0.00 C +ATOM 46 CA PRO A 46 280.981 239.508 272.759 1.00 0.00 C +ATOM 47 CA ARG A 47 277.735 241.502 272.728 1.00 0.00 C +ATOM 48 CA GLN A 48 274.281 240.379 271.574 1.00 0.00 C +ATOM 49 CA HIS A 49 273.553 242.575 268.547 1.00 0.00 C +ATOM 50 CA ARG A 50 272.797 244.559 265.383 1.00 0.00 C +ATOM 51 CA ASP A 51 270.426 245.331 262.502 1.00 0.00 C +ATOM 52 CA ASP A 52 272.097 246.706 259.367 1.00 0.00 C +ATOM 53 CA LYS A 53 271.169 248.916 256.405 1.00 0.00 C +ATOM 54 CA ARG A 54 269.481 249.532 253.045 1.00 0.00 C +ATOM 55 CA SER A 55 271.204 252.430 251.271 1.00 0.00 C +ATOM 56 CA SER A 56 270.069 252.542 247.635 1.00 0.00 C +ATOM 57 CA ILE A 57 266.516 251.166 247.644 1.00 0.00 C +ATOM 58 CA LYS A 58 265.419 248.860 244.817 1.00 0.00 C +ATOM 59 CA GLY A 59 265.360 250.421 241.342 1.00 0.00 C +ATOM 60 CA SER A 60 265.492 250.817 237.555 1.00 0.00 C +ATOM 61 CA SER A 61 262.937 253.282 236.173 1.00 0.00 C +ATOM 62 CA PRO A 62 260.059 253.904 233.754 1.00 0.00 C +ATOM 63 CA SER A 63 261.554 253.490 230.274 1.00 0.00 C +ATOM 64 CA PRO A 64 261.979 250.829 227.581 1.00 0.00 C +ATOM 65 CA SER A 65 258.710 249.960 225.829 1.00 0.00 C +ATOM 66 CA GLY A 66 255.073 248.864 225.534 1.00 0.00 C +ATOM 67 CA ALA A 67 252.615 245.953 225.581 1.00 0.00 C +ATOM 68 CA ALA A 68 249.410 244.255 226.748 1.00 0.00 C +ATOM 69 CA ALA A 69 249.403 243.520 230.486 1.00 0.00 C +ATOM 70 CA ALA A 70 247.481 245.459 233.144 1.00 0.00 C +ATOM 71 CA ALA A 71 247.822 247.580 236.291 1.00 0.00 C +ATOM 72 CA ALA A 72 248.538 250.783 238.226 1.00 0.00 C +ATOM 73 CA ALA A 73 247.326 253.997 236.579 1.00 0.00 C +ATOM 74 CA ALA A 74 245.273 256.841 238.066 1.00 0.00 C +ATOM 75 CA GLY A 75 242.395 258.833 236.559 1.00 0.00 C +ATOM 76 CA ARG A 76 239.926 260.615 234.270 1.00 0.00 C +ATOM 77 CA PHE A 77 236.550 260.448 236.029 1.00 0.00 C +ATOM 78 CA THR A 78 232.930 261.632 236.098 1.00 0.00 C +ATOM 79 CA GLU A 79 229.513 262.500 234.652 1.00 0.00 C +ATOM 80 CA GLU A 80 226.558 264.090 236.455 1.00 0.00 C +ATOM 81 CA TRP A 81 223.129 265.347 235.369 1.00 0.00 C +ATOM 82 CA ASP A 82 222.487 269.081 235.774 1.00 0.00 C +ATOM 83 CA ALA A 83 224.580 270.276 238.725 1.00 0.00 C +ATOM 84 CA SER A 84 223.876 270.710 242.444 1.00 0.00 C +ATOM 85 CA GLN A 85 223.726 267.149 243.789 1.00 0.00 C +ATOM 86 CA ARG A 86 226.426 266.415 246.376 1.00 0.00 C +ATOM 87 CA GLY A 87 228.191 263.295 245.086 1.00 0.00 C +ATOM 88 CA SER A 88 229.452 261.435 248.162 1.00 0.00 C +ATOM 89 CA SER A 89 231.808 258.985 249.885 1.00 0.00 C +ATOM 90 CA VAL A 90 232.287 255.748 247.934 1.00 0.00 C +ATOM 91 CA ILE A 91 228.857 254.893 246.513 1.00 0.00 C +ATOM 92 CA ASP A 92 227.089 257.336 244.185 1.00 0.00 C +ATOM 93 CA GLY A 93 224.137 255.479 242.649 1.00 0.00 C +ATOM 94 CA PRO A 94 221.405 253.602 240.771 1.00 0.00 C +ATOM 95 CA SER A 95 220.266 250.137 239.670 1.00 0.00 C +ATOM 96 CA ARG A 96 217.825 247.632 241.181 1.00 0.00 C +ATOM 97 CA SER A 97 216.599 244.355 239.673 1.00 0.00 C +ATOM 98 CA SER A 98 216.497 240.947 237.972 1.00 0.00 C +ATOM 99 CA ARG A 99 217.776 237.852 236.155 1.00 0.00 C +ATOM 100 CA ALA A 100 216.580 234.648 237.834 1.00 0.00 C +ATOM 101 CA ALA A 101 212.795 234.356 237.507 1.00 0.00 C +ATOM 102 CA ALA A 102 209.283 234.851 238.899 1.00 0.00 C +ATOM 103 CA MET A 103 206.946 237.558 240.213 1.00 0.00 C +ATOM 104 CA GLN A 104 203.423 238.445 239.065 1.00 0.00 C +ATOM 105 CA ARG A 105 202.864 241.538 236.912 1.00 0.00 C +ATOM 106 CA SER A 106 202.795 243.217 233.493 1.00 0.00 C +ATOM 107 CA SER A 107 205.751 242.285 231.278 1.00 0.00 C +ATOM 108 CA SER A 108 207.756 239.192 232.243 1.00 0.00 C +ATOM 109 CA VAL A 109 206.463 235.608 232.257 1.00 0.00 C +ATOM 110 CA HIS A 110 206.026 231.829 232.049 1.00 0.00 C +ATOM 111 CA SER A 111 206.482 228.194 231.004 1.00 0.00 C +ATOM 112 CA PHE A 112 209.619 226.809 232.666 1.00 0.00 C +ATOM 113 CA SER A 113 212.322 229.429 233.255 1.00 0.00 C +ATOM 114 CA ALA A 114 215.821 228.030 233.814 1.00 0.00 C +ATOM 115 CA GLY A 115 215.685 224.274 234.443 1.00 0.00 C +ATOM 116 CA ASP A 116 215.581 222.636 237.881 1.00 0.00 C +ATOM 117 CA ASP A 117 215.170 222.387 241.660 1.00 0.00 C +ATOM 118 CA ARG A 118 218.214 220.560 243.044 1.00 0.00 C +ATOM 119 CA GLN A 119 219.855 217.327 241.874 1.00 0.00 C +ATOM 120 CA LEU A 120 223.297 217.110 243.492 1.00 0.00 C +ATOM 121 CA PRO A 121 225.001 219.353 246.058 1.00 0.00 C +ATOM 122 CA VAL A 122 226.396 216.980 248.692 1.00 0.00 C +ATOM 123 CA ARG A 123 228.684 215.226 251.182 1.00 0.00 C +ATOM 124 CA ASN A 124 231.753 215.619 253.405 1.00 0.00 C +ATOM 125 CA ASN A 125 232.070 218.211 256.180 1.00 0.00 C +ATOM 126 CA THR A 126 231.306 221.760 255.025 1.00 0.00 C +ATOM 127 CA LEU A 127 233.651 223.513 252.587 1.00 0.00 C +ATOM 128 CA LYS A 128 236.552 225.525 251.154 1.00 0.00 C +ATOM 129 CA LYS A 129 237.576 228.786 252.839 1.00 0.00 C +ATOM 130 CA LYS A 130 238.252 230.375 256.234 1.00 0.00 C +ATOM 131 CA ALA A 131 241.710 229.560 257.611 1.00 0.00 C +ATOM 132 CA SER A 132 245.182 228.618 258.867 1.00 0.00 C +ATOM 133 CA MET A 133 246.222 230.242 262.153 1.00 0.00 C +ATOM 134 CA ARG A 134 247.921 232.965 264.205 1.00 0.00 C +ATOM 135 CA ARG A 135 250.041 236.018 263.367 1.00 0.00 C +ATOM 136 CA SER A 136 250.119 238.254 260.283 1.00 0.00 C +ATOM 137 CA SER A 137 247.267 240.038 258.494 1.00 0.00 C +ATOM 138 CA SER A 138 244.187 239.834 260.727 1.00 0.00 C +ATOM 139 CA LEU A 139 240.783 238.872 259.311 1.00 0.00 C +ATOM 140 CA ARG A 140 238.163 240.270 256.924 1.00 0.00 C +ATOM 141 CA ARG A 141 236.848 243.050 254.676 1.00 0.00 C +ATOM 142 CA SER A 142 239.975 244.692 253.247 1.00 0.00 C +ATOM 143 CA SER A 143 241.974 247.780 252.255 1.00 0.00 C +ATOM 144 CA SER A 144 243.582 251.230 252.424 1.00 0.00 C +ATOM 145 CA ARG A 145 242.946 253.704 249.597 1.00 0.00 C +ATOM 146 CA ARG A 146 242.885 257.253 248.213 1.00 0.00 C +ATOM 147 CA SER A 147 241.233 260.682 248.032 1.00 0.00 C +ATOM 148 CA ASN A 148 238.057 262.407 246.826 1.00 0.00 C +ATOM 149 CA ARG A 149 235.675 265.224 245.874 1.00 0.00 C +ATOM 150 CA ALA A 150 235.129 266.714 242.411 1.00 0.00 C +ATOM 151 CA GLY A 151 236.717 267.912 239.161 1.00 0.00 C +ATOM 152 CA SER A 152 236.773 266.911 235.485 1.00 0.00 C +ATOM 153 CA VAL A 153 239.674 267.734 233.157 1.00 0.00 C +ATOM 154 CA ARG A 154 243.220 269.124 233.265 1.00 0.00 C +ATOM 155 CA SER A 155 243.717 271.407 230.255 1.00 0.00 C +ATOM 156 CA LEU A 156 244.969 274.816 229.104 1.00 0.00 C +ATOM 157 CA ALA A 157 243.640 278.382 229.283 1.00 0.00 C +ATOM 158 CA LEU A 158 246.207 281.078 228.471 1.00 0.00 C +ATOM 159 CA HIS A 159 247.454 283.651 225.953 1.00 0.00 C +ATOM 160 CA SER A 160 246.427 283.090 222.328 1.00 0.00 C +ATOM 161 CA ALA A 161 245.588 286.435 220.709 1.00 0.00 C +ATOM 162 CA SER A 162 246.562 288.874 217.948 1.00 0.00 C +ATOM 163 CA ASP A 163 243.549 291.144 217.412 1.00 0.00 C +ATOM 164 CA PRO A 164 242.791 293.722 220.112 1.00 0.00 C +ATOM 165 CA ASP A 165 239.438 295.193 219.061 1.00 0.00 C +ATOM 166 CA ASP A 166 235.668 295.460 219.544 1.00 0.00 C +ATOM 167 CA ALA A 167 234.601 292.573 221.789 1.00 0.00 C +ATOM 168 CA SER A 168 231.513 290.484 222.574 1.00 0.00 C +ATOM 169 CA SER A 169 229.346 289.426 225.524 1.00 0.00 C +ATOM 170 CA ALA A 170 229.507 290.998 228.991 1.00 0.00 C +ATOM 171 CA PHE A 171 227.383 294.123 229.481 1.00 0.00 C +ATOM 172 CA TYR A 172 227.546 297.301 231.576 1.00 0.00 C +ATOM 173 CA CYS A 173 225.957 298.502 234.825 1.00 0.00 C +ATOM 174 CA PRO A 174 224.572 295.980 237.322 1.00 0.00 C +ATOM 175 CA VAL A 175 227.283 295.360 239.926 1.00 0.00 C +ATOM 176 CA PRO A 176 230.163 294.138 242.101 1.00 0.00 C +ATOM 177 CA THR A 177 232.338 291.793 244.171 1.00 0.00 C +ATOM 178 CA THR A 178 234.275 293.224 247.123 1.00 0.00 C +ATOM 179 CA GLY A 179 237.120 291.192 248.637 1.00 0.00 C +ATOM 180 CA THR A 180 238.124 293.083 251.788 1.00 0.00 C +ATOM 181 CA PRO A 181 238.531 296.639 253.095 1.00 0.00 C +ATOM 182 CA THR A 182 238.014 299.160 250.285 1.00 0.00 C +ATOM 183 CA ASP A 183 236.659 299.427 246.734 1.00 0.00 C +ATOM 184 CA VAL A 184 237.849 299.828 243.137 1.00 0.00 C +ATOM 185 CA LEU A 185 236.944 302.973 241.187 1.00 0.00 C +ATOM 186 CA ALA A 186 233.191 302.861 240.540 1.00 0.00 C +ATOM 187 CA ASN A 187 230.298 304.348 238.555 1.00 0.00 C +ATOM 188 CA ARG A 188 226.512 304.322 238.136 1.00 0.00 C +ATOM 189 CA PHE A 189 225.635 307.878 237.084 1.00 0.00 C +ATOM 190 CA GLN A 190 225.080 310.809 239.454 1.00 0.00 C +TER 191 GLN A 190 +END diff --git a/Fungi/A0A2N0QNY4/A0A2N0QNY4.dcd b/Fungi/A0A2N0QNY4/A0A2N0QNY4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..fd2b60c201c27654c1e089d2d2109dbb6b89878d --- /dev/null +++ b/Fungi/A0A2N0QNY4/A0A2N0QNY4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fb339f11248e8c23edf8b80b58f823beccc660396e6b8a6da6f31b40253caa53 +size 12680276 diff --git a/Fungi/A0A2N0QNY4/top.pdb b/Fungi/A0A2N0QNY4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f049d3233a5f0056e999b5ae80c6cf625b7716a1 --- /dev/null +++ b/Fungi/A0A2N0QNY4/top.pdb @@ -0,0 +1,103 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLN A 1 276.884 227.181 252.693 1.00 0.00 C +ATOM 2 CA THR A 2 273.865 225.540 254.338 1.00 0.00 C +ATOM 3 CA LEU A 3 271.908 227.392 257.031 1.00 0.00 C +ATOM 4 CA GLN A 4 269.964 225.428 259.655 1.00 0.00 C +ATOM 5 CA ASP A 5 267.416 227.832 261.153 1.00 0.00 C +ATOM 6 CA SER A 6 268.337 228.653 264.757 1.00 0.00 C +ATOM 7 CA ILE A 7 265.766 227.644 267.382 1.00 0.00 C +ATOM 8 CA HIS A 8 262.783 226.395 269.397 1.00 0.00 C +ATOM 9 CA LYS A 9 262.878 227.386 273.075 1.00 0.00 C +ATOM 10 CA PRO A 10 260.401 227.170 275.961 1.00 0.00 C +ATOM 11 CA VAL A 11 258.763 223.732 276.105 1.00 0.00 C +ATOM 12 CA PHE A 12 255.516 221.813 275.569 1.00 0.00 C +ATOM 13 CA ASN A 13 253.693 218.545 276.286 1.00 0.00 C +ATOM 14 CA ILE A 14 255.238 215.135 276.996 1.00 0.00 C +ATOM 15 CA ASN A 15 255.489 211.392 277.659 1.00 0.00 C +ATOM 16 CA PRO A 16 255.823 209.269 274.513 1.00 0.00 C +ATOM 17 CA ILE A 17 256.875 211.064 271.321 1.00 0.00 C +ATOM 18 CA ILE A 18 255.281 214.005 269.498 1.00 0.00 C +ATOM 19 CA GLN A 19 252.223 216.231 269.043 1.00 0.00 C +ATOM 20 CA ASP A 20 248.616 215.546 270.062 1.00 0.00 C +ATOM 21 CA TRP A 21 246.350 213.192 268.103 1.00 0.00 C +ATOM 22 CA GLN A 22 243.769 211.459 265.900 1.00 0.00 C +ATOM 23 CA PRO A 23 239.963 211.489 266.061 1.00 0.00 C +ATOM 24 CA ALA A 24 238.440 212.207 262.643 1.00 0.00 C +ATOM 25 CA SER A 25 238.789 215.894 261.750 1.00 0.00 C +ATOM 26 CA SER A 26 241.316 218.696 261.221 1.00 0.00 C +ATOM 27 CA ARG A 27 240.245 222.331 261.616 1.00 0.00 C +ATOM 28 CA LYS A 28 238.463 224.818 263.887 1.00 0.00 C +ATOM 29 CA THR A 29 239.565 226.815 266.939 1.00 0.00 C +ATOM 30 CA LYS A 30 239.955 230.278 268.478 1.00 0.00 C +ATOM 31 CA ARG A 31 238.103 233.291 267.060 1.00 0.00 C +ATOM 32 CA LYS A 32 240.076 235.958 265.188 1.00 0.00 C +ATOM 33 CA ASP A 33 237.889 237.635 262.558 1.00 0.00 C +ATOM 34 CA LYS A 34 234.390 237.428 261.064 1.00 0.00 C +ATOM 35 CA GLU A 35 231.060 235.735 260.315 1.00 0.00 C +ATOM 36 CA LYS A 36 228.221 237.057 262.485 1.00 0.00 C +ATOM 37 CA GLN A 37 229.148 240.589 263.574 1.00 0.00 C +ATOM 38 CA VAL A 38 232.215 241.369 265.696 1.00 0.00 C +ATOM 39 CA GLU A 39 235.020 243.104 267.604 1.00 0.00 C +ATOM 40 CA GLN A 40 235.534 243.285 271.375 1.00 0.00 C +ATOM 41 CA LYS A 41 233.334 243.595 274.470 1.00 0.00 C +ATOM 42 CA GLN A 42 229.832 244.788 273.557 1.00 0.00 C +ATOM 43 CA GLN A 43 229.159 247.894 271.456 1.00 0.00 C +ATOM 44 CA LYS A 44 227.511 249.057 268.224 1.00 0.00 C +ATOM 45 CA LYS A 45 230.138 248.734 265.483 1.00 0.00 C +ATOM 46 CA GLN A 46 233.557 249.538 264.008 1.00 0.00 C +ATOM 47 CA PRO A 47 235.085 250.564 260.672 1.00 0.00 C +ATOM 48 CA ARG A 48 236.105 251.589 257.147 1.00 0.00 C +ATOM 49 CA LEU A 49 235.778 248.405 255.081 1.00 0.00 C +ATOM 50 CA SER A 50 238.912 246.256 255.369 1.00 0.00 C +ATOM 51 CA PHE A 51 242.683 245.955 255.820 1.00 0.00 C +ATOM 52 CA ARG A 52 245.644 243.559 255.715 1.00 0.00 C +ATOM 53 CA GLN A 53 245.964 240.265 253.828 1.00 0.00 C +ATOM 54 CA HIS A 54 248.343 240.952 250.933 1.00 0.00 C +ATOM 55 CA LYS A 55 249.170 243.927 248.700 1.00 0.00 C +ATOM 56 CA SER A 56 247.253 247.133 249.451 1.00 0.00 C +ATOM 57 CA THR A 57 248.777 250.084 247.584 1.00 0.00 C +ATOM 58 CA GLU A 58 251.799 252.122 248.695 1.00 0.00 C +ATOM 59 CA LYS A 59 255.338 251.894 250.088 1.00 0.00 C +ATOM 60 CA THR A 60 258.079 254.401 249.242 1.00 0.00 C +ATOM 61 CA THR A 61 258.010 256.931 246.394 1.00 0.00 C +ATOM 62 CA ASP A 62 261.033 259.019 245.385 1.00 0.00 C +ATOM 63 CA ASP A 63 262.657 259.055 241.939 1.00 0.00 C +ATOM 64 CA MET A 64 263.673 257.599 238.568 1.00 0.00 C +ATOM 65 CA ASP A 65 266.840 255.673 237.685 1.00 0.00 C +ATOM 66 CA ILE A 66 269.875 257.227 235.984 1.00 0.00 C +ATOM 67 CA SER A 67 268.604 258.844 232.777 1.00 0.00 C +ATOM 68 CA GLN A 68 265.848 261.405 232.176 1.00 0.00 C +ATOM 69 CA ASP A 69 263.399 264.131 231.134 1.00 0.00 C +ATOM 70 CA THR A 70 260.748 266.346 229.527 1.00 0.00 C +ATOM 71 CA PHE A 71 257.263 264.809 229.428 1.00 0.00 C +ATOM 72 CA ALA A 72 254.513 262.172 229.484 1.00 0.00 C +ATOM 73 CA SER A 73 251.520 263.786 231.203 1.00 0.00 C +ATOM 74 CA SER A 74 248.202 265.656 231.119 1.00 0.00 C +ATOM 75 CA SER A 75 247.231 267.059 234.526 1.00 0.00 C +ATOM 76 CA GLU A 76 248.870 270.220 235.879 1.00 0.00 C +ATOM 77 CA SER A 77 252.145 271.968 236.739 1.00 0.00 C +ATOM 78 CA GLY A 78 255.085 269.548 236.622 1.00 0.00 C +ATOM 79 CA GLY A 79 258.659 269.720 235.312 1.00 0.00 C +ATOM 80 CA ALA A 80 259.248 273.361 234.358 1.00 0.00 C +ATOM 81 CA ALA A 81 256.791 275.970 235.653 1.00 0.00 C +ATOM 82 CA LYS A 82 255.369 279.158 234.127 1.00 0.00 C +ATOM 83 CA SER A 83 256.307 280.785 230.812 1.00 0.00 C +ATOM 84 CA ASN A 84 258.201 279.412 227.805 1.00 0.00 C +ATOM 85 CA THR A 85 259.111 282.143 225.310 1.00 0.00 C +ATOM 86 CA ASP A 86 260.232 285.514 223.933 1.00 0.00 C +ATOM 87 CA ASN A 87 262.908 286.193 221.307 1.00 0.00 C +ATOM 88 CA GLN A 88 262.733 289.741 219.931 1.00 0.00 C +ATOM 89 CA VAL A 89 260.598 292.782 219.088 1.00 0.00 C +ATOM 90 CA THR A 90 257.409 294.820 219.530 1.00 0.00 C +ATOM 91 CA PRO A 91 255.033 296.077 216.830 1.00 0.00 C +ATOM 92 CA GLU A 92 252.014 298.389 217.073 1.00 0.00 C +ATOM 93 CA ASN A 93 248.942 296.223 216.447 1.00 0.00 C +ATOM 94 CA LEU A 94 245.744 294.361 217.352 1.00 0.00 C +ATOM 95 CA ASP A 95 242.198 295.265 216.290 1.00 0.00 C +ATOM 96 CA ALA A 96 238.911 296.760 217.503 1.00 0.00 C +ATOM 97 CA PRO A 97 237.298 300.058 218.522 1.00 0.00 C +ATOM 98 CA ILE A 98 235.919 300.420 222.055 1.00 0.00 C +ATOM 99 CA ASP A 99 232.168 300.707 222.660 1.00 0.00 C +TER 100 ASP A 99 +END diff --git a/Fungi/A0A2N1NH47/A0A2N1NH47.dcd b/Fungi/A0A2N1NH47/A0A2N1NH47.dcd new file mode 100644 index 0000000000000000000000000000000000000000..43230995bad38df7b4af4385850f95d4cbba1fee --- /dev/null +++ b/Fungi/A0A2N1NH47/A0A2N1NH47.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fa7c35ab01d98389ebf3efbbf13b012b63dfb48b11ac2a17e7330b7bbe9b29da +size 12200276 diff --git a/Fungi/A0A2N1NH47/top.pdb b/Fungi/A0A2N1NH47/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..01df32275d4c6d0450f10ac654b15ec1f3822239 --- /dev/null +++ b/Fungi/A0A2N1NH47/top.pdb @@ -0,0 +1,99 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLU A 1 236.602 255.787 245.661 1.00 0.00 C +ATOM 2 CA GLU A 2 236.124 252.007 245.638 1.00 0.00 C +ATOM 3 CA ARG A 3 235.500 250.032 248.835 1.00 0.00 C +ATOM 4 CA LYS A 4 233.025 247.144 248.609 1.00 0.00 C +ATOM 5 CA ASN A 5 231.279 245.690 251.667 1.00 0.00 C +ATOM 6 CA ALA A 6 233.818 244.380 254.187 1.00 0.00 C +ATOM 7 CA GLU A 7 237.359 245.392 253.208 1.00 0.00 C +ATOM 8 CA GLU A 8 238.993 248.016 255.436 1.00 0.00 C +ATOM 9 CA LEU A 9 242.379 249.685 255.953 1.00 0.00 C +ATOM 10 CA ASN A 10 243.029 252.293 253.253 1.00 0.00 C +ATOM 11 CA GLN A 11 246.752 253.092 253.370 1.00 0.00 C +ATOM 12 CA LYS A 12 249.063 251.574 250.748 1.00 0.00 C +ATOM 13 CA SER A 13 251.180 249.507 248.347 1.00 0.00 C +ATOM 14 CA GLU A 14 254.390 251.526 247.976 1.00 0.00 C +ATOM 15 CA GLU A 15 257.375 251.855 250.320 1.00 0.00 C +ATOM 16 CA ARG A 16 259.966 251.437 253.082 1.00 0.00 C +ATOM 17 CA LYS A 17 260.764 247.914 254.292 1.00 0.00 C +ATOM 18 CA ASN A 18 261.406 246.069 257.564 1.00 0.00 C +ATOM 19 CA ALA A 19 260.265 245.425 261.141 1.00 0.00 C +ATOM 20 CA GLU A 20 256.717 246.199 262.295 1.00 0.00 C +ATOM 21 CA GLU A 21 253.816 244.636 264.207 1.00 0.00 C +ATOM 22 CA LEU A 22 250.419 243.566 262.853 1.00 0.00 C +ATOM 23 CA ASN A 23 249.190 243.769 259.253 1.00 0.00 C +ATOM 24 CA GLN A 24 249.829 244.831 255.650 1.00 0.00 C +ATOM 25 CA GLU A 25 248.815 243.677 252.163 1.00 0.00 C +ATOM 26 CA SER A 26 252.030 243.756 250.120 1.00 0.00 C +ATOM 27 CA GLU A 27 255.137 242.682 248.196 1.00 0.00 C +ATOM 28 CA ARG A 28 257.523 243.701 245.406 1.00 0.00 C +ATOM 29 CA ARG A 29 256.390 243.725 241.768 1.00 0.00 C +ATOM 30 CA LYS A 30 254.001 240.774 241.449 1.00 0.00 C +ATOM 31 CA ASN A 31 251.273 238.339 242.517 1.00 0.00 C +ATOM 32 CA VAL A 32 248.201 240.545 242.979 1.00 0.00 C +ATOM 33 CA LYS A 33 247.550 240.523 246.733 1.00 0.00 C +ATOM 34 CA GLU A 34 245.849 237.334 247.937 1.00 0.00 C +ATOM 35 CA LEU A 35 243.955 234.584 246.103 1.00 0.00 C +ATOM 36 CA ASN A 36 243.970 230.775 246.039 1.00 0.00 C +ATOM 37 CA GLN A 37 247.030 229.068 244.542 1.00 0.00 C +ATOM 38 CA GLU A 38 248.208 225.669 245.796 1.00 0.00 C +ATOM 39 CA PHE A 39 250.383 223.023 244.128 1.00 0.00 C +ATOM 40 CA MET A 40 253.921 224.319 243.563 1.00 0.00 C +ATOM 41 CA ARG A 41 255.534 227.078 241.490 1.00 0.00 C +ATOM 42 CA ARG A 42 257.333 226.192 238.250 1.00 0.00 C +ATOM 43 CA LYS A 43 260.247 227.851 236.442 1.00 0.00 C +ATOM 44 CA ASN A 44 262.928 229.767 238.355 1.00 0.00 C +ATOM 45 CA VAL A 45 261.766 233.062 239.874 1.00 0.00 C +ATOM 46 CA GLU A 46 261.679 233.695 243.630 1.00 0.00 C +ATOM 47 CA GLU A 47 260.104 235.460 246.617 1.00 0.00 C +ATOM 48 CA PRO A 48 260.159 235.641 250.422 1.00 0.00 C +ATOM 49 CA ASN A 49 262.845 235.389 253.112 1.00 0.00 C +ATOM 50 CA GLN A 50 263.943 232.203 254.889 1.00 0.00 C +ATOM 51 CA LYS A 51 266.025 231.744 258.047 1.00 0.00 C +ATOM 52 CA SER A 52 267.592 234.118 260.581 1.00 0.00 C +ATOM 53 CA GLU A 53 270.543 236.468 261.110 1.00 0.00 C +ATOM 54 CA GLU A 54 272.513 237.112 257.913 1.00 0.00 C +ATOM 55 CA ARG A 55 272.427 240.870 257.296 1.00 0.00 C +ATOM 56 CA LYS A 56 271.716 244.348 258.682 1.00 0.00 C +ATOM 57 CA ASN A 57 270.680 243.761 262.301 1.00 0.00 C +ATOM 58 CA ALA A 58 271.072 246.177 265.221 1.00 0.00 C +ATOM 59 CA GLU A 59 270.058 249.790 264.561 1.00 0.00 C +ATOM 60 CA GLU A 60 268.704 253.343 264.313 1.00 0.00 C +ATOM 61 CA LEU A 61 267.796 256.043 261.783 1.00 0.00 C +ATOM 62 CA ASN A 62 265.737 256.505 258.611 1.00 0.00 C +ATOM 63 CA GLN A 63 262.920 258.466 256.956 1.00 0.00 C +ATOM 64 CA LYS A 64 263.167 259.385 253.267 1.00 0.00 C +ATOM 65 CA PHE A 65 260.272 259.634 250.803 1.00 0.00 C +ATOM 66 CA GLU A 66 260.146 257.718 247.513 1.00 0.00 C +ATOM 67 CA GLU A 67 258.512 256.319 244.367 1.00 0.00 C +ATOM 68 CA ARG A 68 254.870 257.438 244.326 1.00 0.00 C +ATOM 69 CA LYS A 69 253.950 260.714 246.039 1.00 0.00 C +ATOM 70 CA ASN A 70 252.048 262.753 248.635 1.00 0.00 C +ATOM 71 CA VAL A 71 249.261 261.557 250.941 1.00 0.00 C +ATOM 72 CA GLU A 72 247.913 260.808 254.426 1.00 0.00 C +ATOM 73 CA GLU A 73 248.287 260.017 258.134 1.00 0.00 C +ATOM 74 CA LEU A 74 250.497 262.510 259.981 1.00 0.00 C +ATOM 75 CA ASN A 75 248.433 265.422 261.315 1.00 0.00 C +ATOM 76 CA GLN A 76 245.983 267.778 259.595 1.00 0.00 C +ATOM 77 CA GLU A 77 245.968 266.685 255.945 1.00 0.00 C +ATOM 78 CA PHE A 78 244.283 266.245 252.556 1.00 0.00 C +ATOM 79 CA GLU A 79 244.414 269.717 250.992 1.00 0.00 C +ATOM 80 CA ARG A 80 244.462 269.384 247.197 1.00 0.00 C +ATOM 81 CA ARG A 81 241.119 268.358 245.685 1.00 0.00 C +ATOM 82 CA LYS A 82 238.732 271.328 245.711 1.00 0.00 C +ATOM 83 CA ASN A 83 237.153 272.852 248.826 1.00 0.00 C +ATOM 84 CA VAL A 84 233.424 273.513 248.414 1.00 0.00 C +ATOM 85 CA GLU A 85 231.558 276.375 246.728 1.00 0.00 C +ATOM 86 CA GLU A 86 227.756 276.604 246.692 1.00 0.00 C +ATOM 87 CA PRO A 87 226.257 275.764 243.291 1.00 0.00 C +ATOM 88 CA ASN A 88 223.992 272.784 242.582 1.00 0.00 C +ATOM 89 CA GLN A 89 224.226 270.181 239.810 1.00 0.00 C +ATOM 90 CA LYS A 90 224.264 266.386 239.482 1.00 0.00 C +ATOM 91 CA PHE A 91 226.943 265.175 237.058 1.00 0.00 C +ATOM 92 CA GLU A 92 227.238 261.577 235.840 1.00 0.00 C +ATOM 93 CA GLU A 93 225.923 259.864 232.701 1.00 0.00 C +ATOM 94 CA ARG A 94 227.023 262.106 229.823 1.00 0.00 C +ATOM 95 CA LYS A 95 224.129 263.645 227.880 1.00 0.00 C +TER 96 LYS A 95 +END diff --git a/Fungi/A0A2N5SHY9/A0A2N5SHY9.dcd b/Fungi/A0A2N5SHY9/A0A2N5SHY9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..55dca830c715bfdf9fb9f434c9acdc2d22fbfb90 --- /dev/null +++ b/Fungi/A0A2N5SHY9/A0A2N5SHY9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:46dfdd698684c8df01bbc9df936e13658c359503f8a66ce05dfedc6cc1140884 +size 10160276 diff --git a/Fungi/A0A2N5SHY9/top.pdb b/Fungi/A0A2N5SHY9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0533dda4ae526648348037e6658d16387ae484b4 --- /dev/null +++ b/Fungi/A0A2N5SHY9/top.pdb @@ -0,0 +1,82 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 229.117 234.055 273.727 1.00 0.00 C +ATOM 2 CA ALA A 2 228.474 235.502 270.262 1.00 0.00 C +ATOM 3 CA GLN A 3 228.778 235.013 266.496 1.00 0.00 C +ATOM 4 CA LEU A 4 226.158 235.265 263.742 1.00 0.00 C +ATOM 5 CA LYS A 5 223.181 234.854 261.400 1.00 0.00 C +ATOM 6 CA THR A 6 219.768 236.197 260.368 1.00 0.00 C +ATOM 7 CA ASN A 7 217.220 235.851 257.556 1.00 0.00 C +ATOM 8 CA GLU A 8 213.528 235.782 256.617 1.00 0.00 C +ATOM 9 CA ASN A 9 210.145 235.264 254.944 1.00 0.00 C +ATOM 10 CA GLN A 10 208.651 236.623 251.714 1.00 0.00 C +ATOM 11 CA PRO A 11 207.101 238.415 248.729 1.00 0.00 C +ATOM 12 CA MET A 12 208.831 238.906 245.370 1.00 0.00 C +ATOM 13 CA ALA A 13 207.084 238.291 242.041 1.00 0.00 C +ATOM 14 CA ASN A 14 208.641 239.316 238.717 1.00 0.00 C +ATOM 15 CA ARG A 15 211.826 241.067 237.576 1.00 0.00 C +ATOM 16 CA TYR A 16 213.433 242.801 234.588 1.00 0.00 C +ATOM 17 CA LEU A 17 215.879 245.703 234.920 1.00 0.00 C +ATOM 18 CA LYS A 18 219.453 245.444 233.624 1.00 0.00 C +ATOM 19 CA GLU A 19 222.968 244.286 234.530 1.00 0.00 C +ATOM 20 CA PRO A 20 225.200 241.772 232.738 1.00 0.00 C +ATOM 21 CA LYS A 21 228.843 242.888 232.694 1.00 0.00 C +ATOM 22 CA PRO A 22 229.742 245.217 235.572 1.00 0.00 C +ATOM 23 CA PRO A 23 232.735 246.567 237.506 1.00 0.00 C +ATOM 24 CA LYS A 24 233.784 248.183 240.793 1.00 0.00 C +ATOM 25 CA LYS A 25 236.959 250.194 241.416 1.00 0.00 C +ATOM 26 CA PRO A 26 240.661 250.146 242.314 1.00 0.00 C +ATOM 27 CA THR A 27 244.233 250.602 241.070 1.00 0.00 C +ATOM 28 CA PRO A 28 247.995 250.719 240.479 1.00 0.00 C +ATOM 29 CA GLU A 29 250.143 253.752 239.639 1.00 0.00 C +ATOM 30 CA ARG A 30 253.629 252.799 240.843 1.00 0.00 C +ATOM 31 CA ILE A 31 254.874 249.505 242.298 1.00 0.00 C +ATOM 32 CA SER A 32 257.507 246.884 243.143 1.00 0.00 C +ATOM 33 CA SER A 33 260.631 245.903 245.091 1.00 0.00 C +ATOM 34 CA SER A 34 260.477 244.135 248.462 1.00 0.00 C +ATOM 35 CA PRO A 35 263.990 243.249 249.640 1.00 0.00 C +ATOM 36 CA ALA A 36 267.159 242.196 247.806 1.00 0.00 C +ATOM 37 CA LEU A 37 267.819 239.398 245.306 1.00 0.00 C +ATOM 38 CA PRO A 38 268.627 238.513 241.689 1.00 0.00 C +ATOM 39 CA VAL A 39 271.351 238.162 239.048 1.00 0.00 C +ATOM 40 CA LEU A 40 271.993 241.682 237.740 1.00 0.00 C +ATOM 41 CA THR A 41 273.750 244.687 239.289 1.00 0.00 C +ATOM 42 CA GLY A 42 273.984 244.748 243.091 1.00 0.00 C +ATOM 43 CA GLN A 43 274.893 241.682 245.161 1.00 0.00 C +ATOM 44 CA THR A 44 277.880 240.518 247.221 1.00 0.00 C +ATOM 45 CA ARG A 45 278.829 241.923 250.632 1.00 0.00 C +ATOM 46 CA ARG A 46 278.476 244.513 253.405 1.00 0.00 C +ATOM 47 CA PHE A 47 274.763 245.354 253.550 1.00 0.00 C +ATOM 48 CA LYS A 48 273.453 245.608 249.981 1.00 0.00 C +ATOM 49 CA HIS A 49 270.402 247.883 250.153 1.00 0.00 C +ATOM 50 CA TYR A 50 270.949 250.927 247.928 1.00 0.00 C +ATOM 51 CA LEU A 51 269.648 254.038 246.155 1.00 0.00 C +ATOM 52 CA THR A 52 268.141 254.462 242.682 1.00 0.00 C +ATOM 53 CA ARG A 53 266.450 255.504 239.430 1.00 0.00 C +ATOM 54 CA HIS A 54 263.783 256.771 237.022 1.00 0.00 C +ATOM 55 CA VAL A 55 260.445 256.297 238.796 1.00 0.00 C +ATOM 56 CA ARG A 56 260.958 253.358 241.166 1.00 0.00 C +ATOM 57 CA PRO A 57 262.451 252.943 244.646 1.00 0.00 C +ATOM 58 CA VAL A 58 263.536 251.544 248.020 1.00 0.00 C +ATOM 59 CA THR A 59 263.693 252.668 251.657 1.00 0.00 C +ATOM 60 CA GLY A 60 260.783 251.638 253.890 1.00 0.00 C +ATOM 61 CA GLN A 61 261.795 251.458 257.559 1.00 0.00 C +ATOM 62 CA ALA A 62 258.998 250.749 260.047 1.00 0.00 C +ATOM 63 CA GLY A 63 259.110 252.355 263.500 1.00 0.00 C +ATOM 64 CA PRO A 64 261.333 254.902 265.258 1.00 0.00 C +ATOM 65 CA GLY A 65 263.769 257.782 265.791 1.00 0.00 C +ATOM 66 CA SER A 66 263.267 260.897 267.927 1.00 0.00 C +ATOM 67 CA ASP A 67 262.957 264.597 267.071 1.00 0.00 C +ATOM 68 CA GLN A 68 263.297 268.331 267.745 1.00 0.00 C +ATOM 69 CA TYR A 69 260.221 270.544 268.145 1.00 0.00 C +ATOM 70 CA ASN A 70 256.697 271.971 268.384 1.00 0.00 C +ATOM 71 CA GLU A 71 255.704 275.361 266.957 1.00 0.00 C +ATOM 72 CA GLY A 72 258.781 277.589 266.668 1.00 0.00 C +ATOM 73 CA LEU A 73 261.902 278.143 264.554 1.00 0.00 C +ATOM 74 CA GLN A 74 261.771 277.380 260.823 1.00 0.00 C +ATOM 75 CA TYR A 75 264.368 278.213 258.163 1.00 0.00 C +ATOM 76 CA GLY A 76 267.426 276.422 256.763 1.00 0.00 C +ATOM 77 CA LEU A 77 271.057 277.376 257.410 1.00 0.00 C +ATOM 78 CA THR A 78 271.693 277.761 261.147 1.00 0.00 C +TER 79 THR A 78 +END diff --git a/Fungi/A0A2N5TNH6/A0A2N5TNH6.dcd b/Fungi/A0A2N5TNH6/A0A2N5TNH6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..98c9778a21102f46037b3b74d4e033bf39e6ed73 --- /dev/null +++ b/Fungi/A0A2N5TNH6/A0A2N5TNH6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:82dd414a1612f8d228b64f8b4c49a403da74cd49a9e4c5c8c9f6f692d2c01cd2 +size 16880276 diff --git a/Fungi/A0A2N5TNH6/top.pdb b/Fungi/A0A2N5TNH6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f2ed875583ae753096709f81f3d8b99dae9bc72f --- /dev/null +++ b/Fungi/A0A2N5TNH6/top.pdb @@ -0,0 +1,138 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 228.095 222.725 203.642 1.00 0.00 C +ATOM 2 CA GLN A 2 226.911 225.023 206.440 1.00 0.00 C +ATOM 3 CA LEU A 3 228.777 227.101 209.032 1.00 0.00 C +ATOM 4 CA GLN A 4 232.224 228.724 208.986 1.00 0.00 C +ATOM 5 CA HIS A 5 233.432 231.555 211.231 1.00 0.00 C +ATOM 6 CA LEU A 6 233.481 235.364 211.236 1.00 0.00 C +ATOM 7 CA SER A 7 231.897 236.929 214.328 1.00 0.00 C +ATOM 8 CA HIS A 8 231.430 234.157 216.900 1.00 0.00 C +ATOM 9 CA PRO A 9 229.966 231.179 218.772 1.00 0.00 C +ATOM 10 CA GLY A 10 229.356 230.354 222.441 1.00 0.00 C +ATOM 11 CA SER A 11 230.055 227.835 225.213 1.00 0.00 C +ATOM 12 CA SER A 12 230.417 229.093 228.790 1.00 0.00 C +ATOM 13 CA GLN A 13 231.103 230.606 232.219 1.00 0.00 C +ATOM 14 CA ARG A 14 234.810 230.943 233.033 1.00 0.00 C +ATOM 15 CA GLN A 15 236.968 233.226 235.189 1.00 0.00 C +ATOM 16 CA GLN A 16 239.836 234.122 237.531 1.00 0.00 C +ATOM 17 CA LEU A 17 243.360 234.184 238.979 1.00 0.00 C +ATOM 18 CA GLN A 18 245.341 232.245 241.592 1.00 0.00 C +ATOM 19 CA THR A 19 248.696 233.987 242.070 1.00 0.00 C +ATOM 20 CA HIS A 20 251.730 235.603 240.427 1.00 0.00 C +ATOM 21 CA TYR A 21 254.653 237.476 238.856 1.00 0.00 C +ATOM 22 CA GLU A 22 253.459 238.707 235.454 1.00 0.00 C +ATOM 23 CA HIS A 23 251.581 239.519 232.240 1.00 0.00 C +ATOM 24 CA GLN A 24 253.530 240.426 229.095 1.00 0.00 C +ATOM 25 CA HIS A 25 254.426 244.014 228.179 1.00 0.00 C +ATOM 26 CA PRO A 26 253.007 244.806 224.733 1.00 0.00 C +ATOM 27 CA HIS A 27 255.361 244.732 221.738 1.00 0.00 C +ATOM 28 CA SER A 28 253.681 243.032 218.772 1.00 0.00 C +ATOM 29 CA ASN A 29 251.347 240.064 219.283 1.00 0.00 C +ATOM 30 CA SER A 30 252.056 237.390 221.903 1.00 0.00 C +ATOM 31 CA HIS A 31 255.839 237.107 222.255 1.00 0.00 C +ATOM 32 CA GLN A 32 256.737 233.934 224.162 1.00 0.00 C +ATOM 33 CA CYS A 33 253.657 232.001 225.300 1.00 0.00 C +ATOM 34 CA PRO A 34 252.571 232.818 228.859 1.00 0.00 C +ATOM 35 CA ILE A 35 254.205 231.658 232.100 1.00 0.00 C +ATOM 36 CA THR A 36 256.171 229.478 234.529 1.00 0.00 C +ATOM 37 CA GLN A 37 258.336 226.385 234.019 1.00 0.00 C +ATOM 38 CA ASN A 38 259.732 225.015 237.288 1.00 0.00 C +ATOM 39 CA LYS A 39 262.942 225.083 239.339 1.00 0.00 C +ATOM 40 CA SER A 40 265.286 223.373 241.809 1.00 0.00 C +ATOM 41 CA PRO A 41 268.505 221.334 241.795 1.00 0.00 C +ATOM 42 CA SER A 42 269.309 219.419 244.989 1.00 0.00 C +ATOM 43 CA ASN A 43 266.804 217.634 247.237 1.00 0.00 C +ATOM 44 CA LEU A 44 265.680 219.899 250.087 1.00 0.00 C +ATOM 45 CA ILE A 45 264.290 220.465 253.589 1.00 0.00 C +ATOM 46 CA PHE A 46 263.149 220.148 257.210 1.00 0.00 C +ATOM 47 CA HIS A 47 259.683 221.549 257.945 1.00 0.00 C +ATOM 48 CA SER A 48 258.044 224.685 256.532 1.00 0.00 C +ATOM 49 CA SER A 49 256.903 227.646 258.641 1.00 0.00 C +ATOM 50 CA SER A 50 257.834 231.338 258.781 1.00 0.00 C +ATOM 51 CA ALA A 51 255.634 234.421 258.369 1.00 0.00 C +ATOM 52 CA ARG A 52 252.909 236.943 257.517 1.00 0.00 C +ATOM 53 CA PRO A 53 249.127 237.401 257.581 1.00 0.00 C +ATOM 54 CA GLY A 54 246.644 237.588 260.465 1.00 0.00 C +ATOM 55 CA GLN A 55 243.057 237.959 259.237 1.00 0.00 C +ATOM 56 CA SER A 56 242.621 240.106 256.120 1.00 0.00 C +ATOM 57 CA PRO A 57 243.901 243.484 254.910 1.00 0.00 C +ATOM 58 CA GLY A 58 242.225 246.668 253.656 1.00 0.00 C +ATOM 59 CA GLY A 59 238.493 247.297 254.089 1.00 0.00 C +ATOM 60 CA ARG A 60 235.474 245.316 255.306 1.00 0.00 C +ATOM 61 CA PRO A 61 235.759 244.893 259.082 1.00 0.00 C +ATOM 62 CA SER A 62 237.761 242.981 261.700 1.00 0.00 C +ATOM 63 CA ALA A 63 240.314 245.471 263.041 1.00 0.00 C +ATOM 64 CA PRO A 64 240.173 245.295 266.844 1.00 0.00 C +ATOM 65 CA LEU A 65 238.295 242.674 268.873 1.00 0.00 C +ATOM 66 CA TYR A 66 234.848 241.874 267.460 1.00 0.00 C +ATOM 67 CA HIS A 67 232.411 243.635 265.121 1.00 0.00 C +ATOM 68 CA GLY A 68 228.733 244.287 264.366 1.00 0.00 C +ATOM 69 CA LEU A 69 225.565 246.358 263.928 1.00 0.00 C +ATOM 70 CA PRO A 70 224.779 248.202 260.689 1.00 0.00 C +ATOM 71 CA SER A 71 225.873 248.090 257.041 1.00 0.00 C +ATOM 72 CA ASN A 72 228.971 246.936 255.147 1.00 0.00 C +ATOM 73 CA HIS A 73 231.021 249.049 252.729 1.00 0.00 C +ATOM 74 CA GLN A 74 233.223 252.149 252.497 1.00 0.00 C +ATOM 75 CA ALA A 75 233.223 255.472 254.361 1.00 0.00 C +ATOM 76 CA SER A 76 235.927 257.639 252.777 1.00 0.00 C +ATOM 77 CA HIS A 77 237.697 260.925 253.541 1.00 0.00 C +ATOM 78 CA SER A 78 237.233 263.618 250.886 1.00 0.00 C +ATOM 79 CA GLN A 79 233.781 265.131 251.443 1.00 0.00 C +ATOM 80 CA PRO A 80 233.689 267.200 254.641 1.00 0.00 C +ATOM 81 CA ARG A 81 236.444 268.853 256.689 1.00 0.00 C +ATOM 82 CA SER A 82 236.515 267.783 260.345 1.00 0.00 C +ATOM 83 CA ASN A 83 237.769 269.345 263.586 1.00 0.00 C +ATOM 84 CA GLY A 84 236.289 272.339 265.419 1.00 0.00 C +ATOM 85 CA PHE A 85 237.296 275.386 263.365 1.00 0.00 C +ATOM 86 CA PRO A 86 237.095 279.011 264.520 1.00 0.00 C +ATOM 87 CA SER A 87 236.340 282.149 266.545 1.00 0.00 C +ATOM 88 CA SER A 88 236.052 285.947 266.451 1.00 0.00 C +ATOM 89 CA GLN A 89 237.745 288.729 264.474 1.00 0.00 C +ATOM 90 CA GLU A 90 240.110 289.052 261.505 1.00 0.00 C +ATOM 91 CA HIS A 91 243.881 288.673 261.114 1.00 0.00 C +ATOM 92 CA LEU A 92 247.300 287.184 261.896 1.00 0.00 C +ATOM 93 CA VAL A 93 247.992 283.623 263.061 1.00 0.00 C +ATOM 94 CA ASP A 94 248.565 281.941 266.431 1.00 0.00 C +ATOM 95 CA PRO A 95 251.553 280.331 268.162 1.00 0.00 C +ATOM 96 CA SER A 96 254.223 278.322 269.993 1.00 0.00 C +ATOM 97 CA PRO A 97 255.488 275.931 272.676 1.00 0.00 C +ATOM 98 CA GLU A 98 259.106 274.798 273.048 1.00 0.00 C +ATOM 99 CA MET A 99 261.762 277.008 271.443 1.00 0.00 C +ATOM 100 CA HIS A 100 265.218 275.749 272.437 1.00 0.00 C +ATOM 101 CA GLN A 101 268.399 277.840 272.292 1.00 0.00 C +ATOM 102 CA GLN A 102 269.918 281.098 273.556 1.00 0.00 C +ATOM 103 CA LYS A 103 267.626 284.056 272.843 1.00 0.00 C +ATOM 104 CA LYS A 104 265.053 284.289 270.042 1.00 0.00 C +ATOM 105 CA SER A 105 261.944 283.267 268.092 1.00 0.00 C +ATOM 106 CA SER A 106 259.154 281.151 266.590 1.00 0.00 C +ATOM 107 CA ALA A 107 257.237 281.180 263.298 1.00 0.00 C +ATOM 108 CA LEU A 108 256.394 279.595 259.937 1.00 0.00 C +ATOM 109 CA SER A 109 254.837 277.250 257.370 1.00 0.00 C +ATOM 110 CA HIS A 110 256.686 274.249 255.925 1.00 0.00 C +ATOM 111 CA HIS A 111 257.777 270.929 254.408 1.00 0.00 C +ATOM 112 CA PRO A 112 258.241 267.227 255.180 1.00 0.00 C +ATOM 113 CA PRO A 113 257.085 264.627 252.647 1.00 0.00 C +ATOM 114 CA ARG A 114 259.829 262.214 251.568 1.00 0.00 C +ATOM 115 CA SER A 115 263.415 260.940 251.743 1.00 0.00 C +ATOM 116 CA SER A 116 264.023 259.282 248.367 1.00 0.00 C +ATOM 117 CA LYS A 117 267.570 258.381 247.307 1.00 0.00 C +ATOM 118 CA SER A 118 270.240 257.945 249.989 1.00 0.00 C +ATOM 119 CA ASN A 119 270.281 258.211 253.789 1.00 0.00 C +ATOM 120 CA LYS A 120 271.220 260.001 257.019 1.00 0.00 C +ATOM 121 CA THR A 121 273.180 257.850 259.478 1.00 0.00 C +ATOM 122 CA GLU A 122 276.618 259.077 260.570 1.00 0.00 C +ATOM 123 CA LYS A 123 278.666 256.679 262.707 1.00 0.00 C +ATOM 124 CA LEU A 124 280.735 253.990 264.441 1.00 0.00 C +ATOM 125 CA ASP A 125 278.739 250.872 265.339 1.00 0.00 C +ATOM 126 CA GLU A 126 275.167 250.018 264.326 1.00 0.00 C +ATOM 127 CA LEU A 127 275.279 248.481 260.841 1.00 0.00 C +ATOM 128 CA PRO A 128 271.866 247.240 259.692 1.00 0.00 C +ATOM 129 CA ARG A 129 268.905 248.280 261.853 1.00 0.00 C +ATOM 130 CA GLY A 130 266.403 251.140 262.133 1.00 0.00 C +ATOM 131 CA THR A 131 262.627 250.671 261.951 1.00 0.00 C +ATOM 132 CA GLY A 132 260.064 247.966 262.747 1.00 0.00 C +ATOM 133 CA SER A 133 256.696 249.428 261.729 1.00 0.00 C +ATOM 134 CA SER A 134 255.363 247.274 258.883 1.00 0.00 C +TER 135 SER A 134 +END diff --git a/Fungi/A0A2N5V4U3/A0A2N5V4U3.dcd b/Fungi/A0A2N5V4U3/A0A2N5V4U3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b0c1ae9cd1833c148f26df88bce15bc343276659 --- /dev/null +++ b/Fungi/A0A2N5V4U3/A0A2N5V4U3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f13e230d1ca7c26f5f34cb5cf3eb2afef101c73c4b84f50176cae8556c438e7f +size 12800276 diff --git a/Fungi/A0A2N5V4U3/top.pdb b/Fungi/A0A2N5V4U3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3f7da0a171162653044b8a23d7669f15cff1cfe5 --- /dev/null +++ b/Fungi/A0A2N5V4U3/top.pdb @@ -0,0 +1,104 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 263.257 296.768 259.788 1.00 0.00 C +ATOM 2 CA GLU A 2 263.459 300.340 261.097 1.00 0.00 C +ATOM 3 CA THR A 3 266.536 302.434 260.281 1.00 0.00 C +ATOM 4 CA ASN A 4 270.154 303.500 260.823 1.00 0.00 C +ATOM 5 CA GLY A 5 272.466 300.547 261.491 1.00 0.00 C +ATOM 6 CA PRO A 6 273.904 297.475 259.755 1.00 0.00 C +ATOM 7 CA PRO A 7 276.920 297.181 257.446 1.00 0.00 C +ATOM 8 CA PRO A 8 279.194 294.132 257.216 1.00 0.00 C +ATOM 9 CA PRO A 9 279.205 290.384 256.535 1.00 0.00 C +ATOM 10 CA PRO A 10 275.685 288.990 256.956 1.00 0.00 C +ATOM 11 CA ALA A 11 274.940 285.332 257.717 1.00 0.00 C +ATOM 12 CA PRO A 12 273.455 282.594 259.911 1.00 0.00 C +ATOM 13 CA SER A 13 270.747 279.966 260.435 1.00 0.00 C +ATOM 14 CA SER A 14 268.583 276.883 261.014 1.00 0.00 C +ATOM 15 CA PRO A 15 270.105 274.001 262.987 1.00 0.00 C +ATOM 16 CA LEU A 16 268.692 270.465 263.135 1.00 0.00 C +ATOM 17 CA LEU A 17 265.373 268.816 262.253 1.00 0.00 C +ATOM 18 CA ALA A 18 263.124 267.698 259.388 1.00 0.00 C +ATOM 19 CA PRO A 19 261.247 266.143 256.460 1.00 0.00 C +ATOM 20 CA PRO A 20 261.332 265.736 252.673 1.00 0.00 C +ATOM 21 CA ALA A 21 262.012 263.866 249.424 1.00 0.00 C +ATOM 22 CA PRO A 22 260.786 264.136 245.827 1.00 0.00 C +ATOM 23 CA LEU A 23 262.250 263.744 242.331 1.00 0.00 C +ATOM 24 CA SER A 24 265.844 262.481 242.360 1.00 0.00 C +ATOM 25 CA SER A 25 267.770 262.816 239.090 1.00 0.00 C +ATOM 26 CA THR A 26 271.085 264.386 240.121 1.00 0.00 C +ATOM 27 CA ALA A 27 273.128 261.669 241.840 1.00 0.00 C +ATOM 28 CA PRO A 28 274.344 258.243 242.983 1.00 0.00 C +ATOM 29 CA SER A 29 272.522 255.414 241.196 1.00 0.00 C +ATOM 30 CA PRO A 30 270.039 254.273 238.541 1.00 0.00 C +ATOM 31 CA HIS A 31 268.548 254.671 235.058 1.00 0.00 C +ATOM 32 CA LEU A 32 269.889 254.142 231.531 1.00 0.00 C +ATOM 33 CA PRO A 33 268.468 251.365 229.343 1.00 0.00 C +ATOM 34 CA THR A 34 268.113 250.635 225.620 1.00 0.00 C +ATOM 35 CA THR A 35 264.523 249.747 224.705 1.00 0.00 C +ATOM 36 CA PRO A 36 264.459 246.713 222.401 1.00 0.00 C +ATOM 37 CA ASP A 37 266.686 245.499 219.558 1.00 0.00 C +ATOM 38 CA HIS A 38 266.490 244.814 215.816 1.00 0.00 C +ATOM 39 CA SER A 39 263.095 244.791 214.086 1.00 0.00 C +ATOM 40 CA HIS A 40 260.166 242.436 214.714 1.00 0.00 C +ATOM 41 CA SER A 41 257.052 243.775 212.974 1.00 0.00 C +ATOM 42 CA SER A 42 253.967 243.296 215.159 1.00 0.00 C +ATOM 43 CA ALA A 43 253.209 244.493 218.695 1.00 0.00 C +ATOM 44 CA ASN A 44 253.333 247.968 220.253 1.00 0.00 C +ATOM 45 CA PRO A 45 255.067 250.740 222.208 1.00 0.00 C +ATOM 46 CA PRO A 46 254.738 252.232 225.698 1.00 0.00 C +ATOM 47 CA SER A 47 255.792 255.013 228.079 1.00 0.00 C +ATOM 48 CA PRO A 48 257.045 257.529 230.652 1.00 0.00 C +ATOM 49 CA SER A 49 259.575 260.191 229.636 1.00 0.00 C +ATOM 50 CA ASN A 50 263.338 259.937 229.099 1.00 0.00 C +ATOM 51 CA LEU A 51 265.130 259.345 232.408 1.00 0.00 C +ATOM 52 CA GLY A 52 262.575 259.927 235.175 1.00 0.00 C +ATOM 53 CA LEU A 53 260.904 257.601 237.687 1.00 0.00 C +ATOM 54 CA HIS A 54 261.178 254.515 239.904 1.00 0.00 C +ATOM 55 CA CYS A 55 257.785 253.717 241.443 1.00 0.00 C +ATOM 56 CA GLY A 56 255.525 250.743 240.693 1.00 0.00 C +ATOM 57 CA ARG A 57 251.718 250.727 240.534 1.00 0.00 C +ATOM 58 CA ARG A 58 249.473 252.901 242.713 1.00 0.00 C +ATOM 59 CA GLY A 59 248.274 253.221 246.315 1.00 0.00 C +ATOM 60 CA GLY A 60 247.239 253.758 249.942 1.00 0.00 C +ATOM 61 CA GLY A 61 245.652 250.700 251.569 1.00 0.00 C +ATOM 62 CA GLY A 62 243.066 251.449 254.266 1.00 0.00 C +ATOM 63 CA HIS A 63 243.800 253.555 257.355 1.00 0.00 C +ATOM 64 CA PRO A 64 241.703 252.999 260.487 1.00 0.00 C +ATOM 65 CA GLN A 65 241.532 252.859 264.291 1.00 0.00 C +ATOM 66 CA MET A 66 243.083 250.296 266.644 1.00 0.00 C +ATOM 67 CA HIS A 67 241.745 248.423 269.680 1.00 0.00 C +ATOM 68 CA ASN A 68 241.245 245.141 271.550 1.00 0.00 C +ATOM 69 CA THR A 69 240.403 242.634 274.293 1.00 0.00 C +ATOM 70 CA HIS A 70 238.795 239.583 272.674 1.00 0.00 C +ATOM 71 CA LEU A 71 237.325 236.861 270.450 1.00 0.00 C +ATOM 72 CA CYS A 72 237.890 235.011 267.168 1.00 0.00 C +ATOM 73 CA LYS A 73 238.132 231.279 266.441 1.00 0.00 C +ATOM 74 CA THR A 74 235.626 228.435 266.826 1.00 0.00 C +ATOM 75 CA LEU A 75 234.089 225.127 265.726 1.00 0.00 C +ATOM 76 CA TRP A 76 232.607 223.091 262.867 1.00 0.00 C +ATOM 77 CA PRO A 77 230.703 221.572 259.937 1.00 0.00 C +ATOM 78 CA PRO A 78 229.839 217.996 260.927 1.00 0.00 C +ATOM 79 CA ARG A 79 230.817 217.209 264.524 1.00 0.00 C +ATOM 80 CA HIS A 80 230.925 213.470 265.250 1.00 0.00 C +ATOM 81 CA GLN A 81 229.126 210.253 266.215 1.00 0.00 C +ATOM 82 CA GLN A 82 226.764 211.124 269.075 1.00 0.00 C +ATOM 83 CA GLN A 83 223.579 213.211 268.969 1.00 0.00 C +ATOM 84 CA PRO A 84 222.319 213.328 272.563 1.00 0.00 C +ATOM 85 CA VAL A 85 219.109 214.553 274.208 1.00 0.00 C +ATOM 86 CA ASP A 86 215.693 214.377 272.529 1.00 0.00 C +ATOM 87 CA HIS A 87 213.887 216.418 269.866 1.00 0.00 C +ATOM 88 CA LEU A 88 214.786 219.524 267.851 1.00 0.00 C +ATOM 89 CA HIS A 89 215.395 222.688 265.818 1.00 0.00 C +ATOM 90 CA PRO A 90 214.351 223.059 262.172 1.00 0.00 C +ATOM 91 CA ALA A 91 214.206 224.694 258.734 1.00 0.00 C +ATOM 92 CA SER A 92 214.479 221.787 256.286 1.00 0.00 C +ATOM 93 CA ALA A 93 215.889 218.600 257.826 1.00 0.00 C +ATOM 94 CA GLY A 94 219.226 217.390 256.441 1.00 0.00 C +ATOM 95 CA GLN A 95 220.641 220.069 254.131 1.00 0.00 C +ATOM 96 CA GLN A 96 222.717 223.251 253.841 1.00 0.00 C +ATOM 97 CA LEU A 97 222.513 224.603 250.285 1.00 0.00 C +ATOM 98 CA VAL A 98 220.006 225.902 247.727 1.00 0.00 C +ATOM 99 CA GLN A 99 218.202 229.199 248.353 1.00 0.00 C +ATOM 100 CA THR A 100 216.624 231.423 251.013 1.00 0.00 C +TER 101 THR A 100 +END diff --git a/Fungi/A0A2N5VM07/A0A2N5VM07.dcd b/Fungi/A0A2N5VM07/A0A2N5VM07.dcd new file mode 100644 index 0000000000000000000000000000000000000000..381278178c3a35e2dbf38d59bdfd38c4878a36e9 --- /dev/null +++ b/Fungi/A0A2N5VM07/A0A2N5VM07.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:268612cc1f44fdf9c97cad1967de7a229f2d91248f86378be8ab769ea72f0c0e +size 17120276 diff --git a/Fungi/A0A2N5VM07/top.pdb b/Fungi/A0A2N5VM07/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..09a3fb574d8a1c48762a05a171ebcf812750fcc2 --- /dev/null +++ b/Fungi/A0A2N5VM07/top.pdb @@ -0,0 +1,140 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 193.685 202.296 280.439 1.00 0.00 C +ATOM 2 CA ARG A 2 189.950 203.052 280.456 1.00 0.00 C +ATOM 3 CA GLN A 3 186.971 205.418 280.263 1.00 0.00 C +ATOM 4 CA SER A 4 183.181 205.478 280.650 1.00 0.00 C +ATOM 5 CA ILE A 5 181.457 208.642 281.888 1.00 0.00 C +ATOM 6 CA MET A 6 179.008 211.558 281.994 1.00 0.00 C +ATOM 7 CA ARG A 7 179.923 214.116 279.322 1.00 0.00 C +ATOM 8 CA GLU A 8 181.739 212.090 276.655 1.00 0.00 C +ATOM 9 CA GLN A 9 181.601 209.646 273.736 1.00 0.00 C +ATOM 10 CA GLU A 10 184.239 208.518 271.229 1.00 0.00 C +ATOM 11 CA GLN A 11 185.095 204.917 272.130 1.00 0.00 C +ATOM 12 CA ARG A 12 188.205 203.258 273.577 1.00 0.00 C +ATOM 13 CA ARG A 13 190.466 200.220 273.157 1.00 0.00 C +ATOM 14 CA LEU A 14 191.386 198.324 276.331 1.00 0.00 C +ATOM 15 CA GLN A 15 192.410 194.781 275.376 1.00 0.00 C +ATOM 16 CA TYR A 16 193.793 195.093 271.840 1.00 0.00 C +ATOM 17 CA GLN A 17 195.190 197.760 269.505 1.00 0.00 C +ATOM 18 CA GLN A 18 198.436 199.695 269.019 1.00 0.00 C +ATOM 19 CA GLN A 19 198.552 202.548 266.497 1.00 0.00 C +ATOM 20 CA MET A 20 202.183 202.947 265.414 1.00 0.00 C +ATOM 21 CA GLN A 21 204.942 203.783 262.923 1.00 0.00 C +ATOM 22 CA GLN A 22 205.441 206.532 260.332 1.00 0.00 C +ATOM 23 CA GLN A 23 205.622 210.068 258.925 1.00 0.00 C +ATOM 24 CA GLN A 24 204.701 211.584 255.553 1.00 0.00 C +ATOM 25 CA GLN A 25 204.090 215.305 255.010 1.00 0.00 C +ATOM 26 CA ASN A 26 204.279 219.077 254.510 1.00 0.00 C +ATOM 27 CA ARG A 27 203.844 221.146 251.341 1.00 0.00 C +ATOM 28 CA ALA A 28 204.038 224.586 249.715 1.00 0.00 C +ATOM 29 CA GLY A 29 204.737 227.981 248.132 1.00 0.00 C +ATOM 30 CA GLY A 30 204.240 230.408 245.238 1.00 0.00 C +ATOM 31 CA ASN A 31 202.369 228.616 242.444 1.00 0.00 C +ATOM 32 CA GLN A 32 203.124 229.083 238.739 1.00 0.00 C +ATOM 33 CA GLN A 33 206.538 230.242 237.507 1.00 0.00 C +ATOM 34 CA ASN A 34 209.037 228.473 239.775 1.00 0.00 C +ATOM 35 CA GLY A 35 211.645 226.936 242.088 1.00 0.00 C +ATOM 36 CA ALA A 36 211.816 223.363 243.401 1.00 0.00 C +ATOM 37 CA GLN A 37 212.657 220.423 245.673 1.00 0.00 C +ATOM 38 CA ALA A 38 213.650 222.015 248.989 1.00 0.00 C +ATOM 39 CA GLY A 39 216.223 224.790 249.424 1.00 0.00 C +ATOM 40 CA GLN A 40 219.006 227.167 248.363 1.00 0.00 C +ATOM 41 CA THR A 41 221.832 227.885 250.816 1.00 0.00 C +ATOM 42 CA GLU A 42 224.772 229.018 252.958 1.00 0.00 C +ATOM 43 CA VAL A 43 225.659 232.280 254.715 1.00 0.00 C +ATOM 44 CA PRO A 44 229.255 233.175 253.830 1.00 0.00 C +ATOM 45 CA VAL A 45 229.478 235.682 250.970 1.00 0.00 C +ATOM 46 CA ASN A 46 230.371 239.381 251.159 1.00 0.00 C +ATOM 47 CA GLN A 47 232.213 242.216 249.402 1.00 0.00 C +ATOM 48 CA ASN A 48 232.433 245.920 250.269 1.00 0.00 C +ATOM 49 CA GLU A 49 233.714 249.477 250.738 1.00 0.00 C +ATOM 50 CA GLN A 50 234.796 252.983 251.766 1.00 0.00 C +ATOM 51 CA ALA A 51 234.963 256.711 252.531 1.00 0.00 C +ATOM 52 CA GLN A 52 234.736 259.053 255.528 1.00 0.00 C +ATOM 53 CA SER A 53 234.183 262.631 256.714 1.00 0.00 C +ATOM 54 CA GLU A 54 236.356 264.949 254.611 1.00 0.00 C +ATOM 55 CA PRO A 55 237.079 268.519 255.728 1.00 0.00 C +ATOM 56 CA ALA A 56 239.960 269.418 258.054 1.00 0.00 C +ATOM 57 CA SER A 57 242.831 271.887 258.480 1.00 0.00 C +ATOM 58 CA GLU A 58 241.408 274.798 260.484 1.00 0.00 C +ATOM 59 CA SER A 59 238.755 276.473 258.322 1.00 0.00 C +ATOM 60 CA ASP A 60 240.281 276.954 254.865 1.00 0.00 C +ATOM 61 CA ALA A 61 244.036 277.562 254.634 1.00 0.00 C +ATOM 62 CA SER A 62 245.089 277.606 250.973 1.00 0.00 C +ATOM 63 CA VAL A 63 246.023 281.142 249.906 1.00 0.00 C +ATOM 64 CA ASP A 64 248.194 283.357 247.693 1.00 0.00 C +ATOM 65 CA ALA A 65 250.051 286.160 245.900 1.00 0.00 C +ATOM 66 CA SER A 66 251.227 288.176 242.889 1.00 0.00 C +ATOM 67 CA SER A 67 254.818 288.600 241.691 1.00 0.00 C +ATOM 68 CA THR A 68 256.676 285.285 241.958 1.00 0.00 C +ATOM 69 CA PRO A 69 259.097 282.894 243.672 1.00 0.00 C +ATOM 70 CA SER A 70 261.269 280.136 242.192 1.00 0.00 C +ATOM 71 CA ASP A 71 259.424 276.991 241.087 1.00 0.00 C +ATOM 72 CA GLU A 72 260.847 274.449 238.631 1.00 0.00 C +ATOM 73 CA ALA A 73 263.513 272.426 236.810 1.00 0.00 C +ATOM 74 CA THR A 74 266.423 270.323 235.535 1.00 0.00 C +ATOM 75 CA GLU A 75 269.639 270.483 237.572 1.00 0.00 C +ATOM 76 CA THR A 76 272.492 268.725 239.385 1.00 0.00 C +ATOM 77 CA SER A 77 274.844 266.556 237.318 1.00 0.00 C +ATOM 78 CA ILE A 78 278.358 266.542 238.791 1.00 0.00 C +ATOM 79 CA LYS A 79 281.224 266.892 236.305 1.00 0.00 C +ATOM 80 CA SER A 80 281.833 269.748 233.857 1.00 0.00 C +ATOM 81 CA VAL A 81 283.886 270.116 230.669 1.00 0.00 C +ATOM 82 CA ALA A 82 287.536 270.118 229.576 1.00 0.00 C +ATOM 83 CA SER A 83 290.132 267.544 228.505 1.00 0.00 C +ATOM 84 CA HIS A 84 289.712 264.137 226.851 1.00 0.00 C +ATOM 85 CA PRO A 85 286.663 262.687 225.084 1.00 0.00 C +ATOM 86 CA GLU A 86 285.703 259.001 225.168 1.00 0.00 C +ATOM 87 CA LEU A 87 288.559 257.016 226.723 1.00 0.00 C +ATOM 88 CA THR A 88 291.929 257.912 225.190 1.00 0.00 C +ATOM 89 CA ALA A 89 294.315 255.024 225.889 1.00 0.00 C +ATOM 90 CA ALA A 90 295.145 252.477 228.598 1.00 0.00 C +ATOM 91 CA ASN A 91 293.389 253.383 231.856 1.00 0.00 C +ATOM 92 CA ILE A 92 290.365 255.614 232.480 1.00 0.00 C +ATOM 93 CA LYS A 93 286.817 256.461 233.582 1.00 0.00 C +ATOM 94 CA ALA A 94 286.901 259.449 235.945 1.00 0.00 C +ATOM 95 CA ALA A 95 288.953 262.193 234.280 1.00 0.00 C +ATOM 96 CA ASP A 96 289.763 265.800 235.202 1.00 0.00 C +ATOM 97 CA LEU A 97 293.495 266.482 234.848 1.00 0.00 C +ATOM 98 CA GLN A 98 295.080 266.627 238.310 1.00 0.00 C +ATOM 99 CA ALA A 99 297.991 268.768 239.516 1.00 0.00 C +ATOM 100 CA GLN A 100 298.164 272.381 238.317 1.00 0.00 C +ATOM 101 CA PRO A 101 296.220 275.277 236.785 1.00 0.00 C +ATOM 102 CA SER A 102 296.733 277.449 233.697 1.00 0.00 C +ATOM 103 CA LYS A 103 294.992 280.763 232.990 1.00 0.00 C +ATOM 104 CA SER A 104 291.851 281.275 230.895 1.00 0.00 C +ATOM 105 CA PRO A 105 290.240 278.006 229.785 1.00 0.00 C +ATOM 106 CA SER A 106 287.141 277.409 231.920 1.00 0.00 C +ATOM 107 CA GLY A 107 284.625 275.926 234.366 1.00 0.00 C +ATOM 108 CA THR A 108 286.100 273.809 237.169 1.00 0.00 C +ATOM 109 CA GLN A 109 283.822 271.682 239.361 1.00 0.00 C +ATOM 110 CA PRO A 110 285.273 270.797 242.771 1.00 0.00 C +ATOM 111 CA CYS A 111 287.781 271.625 245.517 1.00 0.00 C +ATOM 112 CA THR A 112 289.708 269.486 248.012 1.00 0.00 C +ATOM 113 CA ALA A 113 290.389 266.114 246.376 1.00 0.00 C +ATOM 114 CA GLY A 114 291.020 264.321 243.074 1.00 0.00 C +ATOM 115 CA SER A 115 289.068 261.056 242.861 1.00 0.00 C +ATOM 116 CA SER A 116 288.233 258.523 245.581 1.00 0.00 C +ATOM 117 CA SER A 117 286.321 259.362 248.768 1.00 0.00 C +ATOM 118 CA SER A 118 284.954 257.820 251.972 1.00 0.00 C +ATOM 119 CA SER A 119 282.038 256.761 254.184 1.00 0.00 C +ATOM 120 CA TRP A 120 282.125 256.887 257.991 1.00 0.00 C +ATOM 121 CA GLY A 121 285.577 255.850 259.226 1.00 0.00 C +ATOM 122 CA HIS A 122 288.214 258.574 258.845 1.00 0.00 C +ATOM 123 CA PRO A 123 289.776 259.263 262.251 1.00 0.00 C +ATOM 124 CA VAL A 124 287.147 260.950 264.432 1.00 0.00 C +ATOM 125 CA TRP A 125 286.179 264.382 263.092 1.00 0.00 C +ATOM 126 CA TRP A 126 289.002 266.735 262.087 1.00 0.00 C +ATOM 127 CA GLY A 127 292.492 267.816 261.004 1.00 0.00 C +ATOM 128 CA TRP A 128 293.733 267.089 257.476 1.00 0.00 C +ATOM 129 CA SER A 129 291.803 267.772 254.263 1.00 0.00 C +ATOM 130 CA ASP A 130 288.041 267.220 254.020 1.00 0.00 C +ATOM 131 CA ASN A 131 284.591 266.715 252.484 1.00 0.00 C +ATOM 132 CA THR A 132 282.292 269.148 254.304 1.00 0.00 C +ATOM 133 CA GLY A 133 279.416 269.884 256.692 1.00 0.00 C +ATOM 134 CA CYS A 134 280.721 269.160 260.197 1.00 0.00 C +ATOM 135 CA GLY A 135 283.679 271.447 260.927 1.00 0.00 C +ATOM 136 CA GLN A 136 284.583 275.058 261.739 1.00 0.00 C +TER 137 GLN A 136 +END diff --git a/Fungi/A0A2P5I2C2/A0A2P5I2C2.dcd b/Fungi/A0A2P5I2C2/A0A2P5I2C2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..4b93cd8f523a28cf2d90d6ed0c6a5831a86154ac --- /dev/null +++ b/Fungi/A0A2P5I2C2/A0A2P5I2C2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5173631f10102d84091c36f4f29bc2df811e149aa6fd17ad0b16775c7e46dbe5 +size 9920276 diff --git a/Fungi/A0A2P5I2C2/top.pdb b/Fungi/A0A2P5I2C2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a63efa85aba6a8c63e3e26a8f37ec281fedb293b --- /dev/null +++ b/Fungi/A0A2P5I2C2/top.pdb @@ -0,0 +1,80 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 252.032 235.513 270.369 1.00 0.00 C +ATOM 2 CA ALA A 2 249.751 233.843 272.923 1.00 0.00 C +ATOM 3 CA VAL A 3 250.995 231.689 275.809 1.00 0.00 C +ATOM 4 CA PHE A 4 252.942 228.769 277.290 1.00 0.00 C +ATOM 5 CA SER A 5 253.538 226.353 280.176 1.00 0.00 C +ATOM 6 CA MET A 6 256.000 227.515 282.841 1.00 0.00 C +ATOM 7 CA ILE A 7 258.783 229.552 281.221 1.00 0.00 C +ATOM 8 CA SER A 8 261.519 227.266 279.881 1.00 0.00 C +ATOM 9 CA ASN A 9 264.589 228.927 278.354 1.00 0.00 C +ATOM 10 CA GLU A 10 265.776 232.494 277.738 1.00 0.00 C +ATOM 11 CA ARG A 11 265.489 234.282 274.385 1.00 0.00 C +ATOM 12 CA PRO A 12 267.269 233.349 271.149 1.00 0.00 C +ATOM 13 CA MET A 13 268.031 235.986 268.506 1.00 0.00 C +ATOM 14 CA LEU A 14 264.832 237.431 267.024 1.00 0.00 C +ATOM 15 CA TYR A 15 261.774 235.161 266.926 1.00 0.00 C +ATOM 16 CA GLY A 16 259.915 233.492 264.050 1.00 0.00 C +ATOM 17 CA ARG A 17 260.290 233.409 260.259 1.00 0.00 C +ATOM 18 CA SER A 18 258.184 235.805 258.175 1.00 0.00 C +ATOM 19 CA GLY A 19 256.479 233.859 255.379 1.00 0.00 C +ATOM 20 CA TYR A 20 255.351 230.822 253.374 1.00 0.00 C +ATOM 21 CA ASN A 21 254.161 227.600 251.726 1.00 0.00 C +ATOM 22 CA SER A 22 250.804 225.891 252.303 1.00 0.00 C +ATOM 23 CA LYS A 23 248.143 225.085 254.907 1.00 0.00 C +ATOM 24 CA PRO A 24 246.193 227.639 256.954 1.00 0.00 C +ATOM 25 CA ASN A 25 247.202 228.971 260.377 1.00 0.00 C +ATOM 26 CA GLY A 26 247.618 232.526 261.684 1.00 0.00 C +ATOM 27 CA GLY A 27 249.422 235.339 259.853 1.00 0.00 C +ATOM 28 CA ASP A 28 249.348 239.122 260.295 1.00 0.00 C +ATOM 29 CA ASP A 29 252.652 240.395 258.888 1.00 0.00 C +ATOM 30 CA ASP A 30 254.297 243.466 257.345 1.00 0.00 C +ATOM 31 CA ASP A 31 258.001 244.359 257.304 1.00 0.00 C +ATOM 32 CA LYS A 32 261.235 246.343 257.645 1.00 0.00 C +ATOM 33 CA ASN A 33 264.371 247.616 259.395 1.00 0.00 C +ATOM 34 CA GLN A 34 264.022 251.169 260.725 1.00 0.00 C +ATOM 35 CA GLY A 35 264.330 254.841 259.756 1.00 0.00 C +ATOM 36 CA ARG A 36 264.927 257.543 257.136 1.00 0.00 C +ATOM 37 CA SER A 37 264.109 261.200 256.449 1.00 0.00 C +ATOM 38 CA GLY A 38 260.763 262.110 258.029 1.00 0.00 C +ATOM 39 CA TYR A 39 258.119 259.475 257.269 1.00 0.00 C +ATOM 40 CA ASN A 40 254.896 259.335 255.242 1.00 0.00 C +ATOM 41 CA SER A 41 251.803 257.413 256.363 1.00 0.00 C +ATOM 42 CA LYS A 42 249.516 254.661 257.671 1.00 0.00 C +ATOM 43 CA PRO A 43 248.705 252.270 254.818 1.00 0.00 C +ATOM 44 CA ASN A 44 247.229 250.386 251.854 1.00 0.00 C +ATOM 45 CA GLY A 45 244.945 247.407 251.202 1.00 0.00 C +ATOM 46 CA ASP A 46 241.307 247.695 250.109 1.00 0.00 C +ATOM 47 CA ASP A 47 240.236 247.399 246.464 1.00 0.00 C +ATOM 48 CA ASP A 48 240.214 248.990 243.003 1.00 0.00 C +ATOM 49 CA ASP A 49 243.360 247.715 241.272 1.00 0.00 C +ATOM 50 CA ASP A 50 244.961 249.713 238.450 1.00 0.00 C +ATOM 51 CA LYS A 51 243.919 248.856 234.887 1.00 0.00 C +ATOM 52 CA ASN A 52 241.272 246.239 234.077 1.00 0.00 C +ATOM 53 CA GLN A 53 237.613 247.171 233.565 1.00 0.00 C +ATOM 54 CA GLY A 54 235.462 250.268 233.024 1.00 0.00 C +ATOM 55 CA ARG A 55 237.661 252.998 231.532 1.00 0.00 C +ATOM 56 CA SER A 56 239.857 255.344 233.579 1.00 0.00 C +ATOM 57 CA GLY A 57 243.172 257.191 233.245 1.00 0.00 C +ATOM 58 CA TYR A 58 244.019 259.885 235.803 1.00 0.00 C +ATOM 59 CA ASN A 59 243.682 263.070 237.867 1.00 0.00 C +ATOM 60 CA SER A 60 244.049 266.451 239.583 1.00 0.00 C +ATOM 61 CA LYS A 61 243.459 269.831 237.926 1.00 0.00 C +ATOM 62 CA PRO A 62 241.740 269.348 234.561 1.00 0.00 C +ATOM 63 CA ASP A 63 242.584 269.228 230.848 1.00 0.00 C +ATOM 64 CA ASP A 64 242.953 272.428 228.813 1.00 0.00 C +ATOM 65 CA ASP A 65 240.198 274.007 226.708 1.00 0.00 C +ATOM 66 CA ASP A 66 238.755 272.814 223.390 1.00 0.00 C +ATOM 67 CA LYS A 67 239.182 274.078 219.821 1.00 0.00 C +ATOM 68 CA ASP A 68 241.407 276.894 218.543 1.00 0.00 C +ATOM 69 CA ASN A 69 243.904 279.511 217.346 1.00 0.00 C +ATOM 70 CA LYS A 70 245.366 282.515 219.178 1.00 0.00 C +ATOM 71 CA ARG A 71 244.592 282.915 222.887 1.00 0.00 C +ATOM 72 CA SER A 72 241.227 282.712 224.662 1.00 0.00 C +ATOM 73 CA LEU A 73 238.428 280.649 223.104 1.00 0.00 C +ATOM 74 CA ASN A 74 235.080 281.405 221.449 1.00 0.00 C +ATOM 75 CA PHE A 75 231.461 281.738 222.590 1.00 0.00 C +ATOM 76 CA GLU A 76 228.529 283.266 220.695 1.00 0.00 C +TER 77 GLU A 76 +END diff --git a/Fungi/A0A2P5IC55/A0A2P5IC55.dcd b/Fungi/A0A2P5IC55/A0A2P5IC55.dcd new file mode 100644 index 0000000000000000000000000000000000000000..5ec080f5f3386f2480b71a9a32b77c93d714a44c --- /dev/null +++ b/Fungi/A0A2P5IC55/A0A2P5IC55.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9a8ae6ca834740e7564c261cf218c4b16680cad28852a6ef301dd91b6f007233 +size 20120276 diff --git a/Fungi/A0A2P5IC55/top.pdb b/Fungi/A0A2P5IC55/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0937b0702cbb8866eb9606287ecdbd7e9e8ae195 --- /dev/null +++ b/Fungi/A0A2P5IC55/top.pdb @@ -0,0 +1,165 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 253.430 242.371 310.296 1.00 0.00 C +ATOM 2 CA SER A 2 252.391 244.178 307.106 1.00 0.00 C +ATOM 3 CA ASP A 3 252.808 242.376 303.776 1.00 0.00 C +ATOM 4 CA VAL A 4 249.873 242.829 301.389 1.00 0.00 C +ATOM 5 CA PHE A 5 247.033 242.108 298.954 1.00 0.00 C +ATOM 6 CA ARG A 6 246.249 242.920 295.315 1.00 0.00 C +ATOM 7 CA ARG A 7 247.708 245.226 292.656 1.00 0.00 C +ATOM 8 CA ILE A 8 245.963 247.859 290.525 1.00 0.00 C +ATOM 9 CA GLY A 9 244.456 250.722 288.514 1.00 0.00 C +ATOM 10 CA ARG A 10 246.004 254.200 288.662 1.00 0.00 C +ATOM 11 CA GLY A 11 246.229 255.490 292.240 1.00 0.00 C +ATOM 12 CA GLY A 12 248.799 254.054 294.658 1.00 0.00 C +ATOM 13 CA ALA A 13 249.640 251.389 297.248 1.00 0.00 C +ATOM 14 CA GLY A 14 248.953 251.458 300.995 1.00 0.00 C +ATOM 15 CA ASN A 15 247.885 253.313 304.147 1.00 0.00 C +ATOM 16 CA PHE A 16 245.374 256.134 303.638 1.00 0.00 C +ATOM 17 CA ILE A 17 242.318 256.517 301.396 1.00 0.00 C +ATOM 18 CA PRO A 18 242.678 254.258 298.349 1.00 0.00 C +ATOM 19 CA GLU A 19 240.261 251.486 297.356 1.00 0.00 C +ATOM 20 CA LYS A 20 237.545 249.804 299.432 1.00 0.00 C +ATOM 21 CA GLU A 21 233.822 249.618 298.641 1.00 0.00 C +ATOM 22 CA ILE A 22 232.948 251.561 295.482 1.00 0.00 C +ATOM 23 CA GLN A 23 232.959 255.249 296.436 1.00 0.00 C +ATOM 24 CA GLU A 24 234.317 258.489 294.961 1.00 0.00 C +ATOM 25 CA ALA A 25 237.518 258.224 292.911 1.00 0.00 C +ATOM 26 CA ALA A 26 241.244 258.956 293.220 1.00 0.00 C +ATOM 27 CA ARG A 27 242.124 261.102 290.198 1.00 0.00 C +ATOM 28 CA ALA A 28 244.446 262.462 287.501 1.00 0.00 C +ATOM 29 CA ASN A 29 247.821 262.668 285.745 1.00 0.00 C +ATOM 30 CA GLU A 30 250.595 264.541 283.925 1.00 0.00 C +ATOM 31 CA ALA A 31 253.431 263.719 281.516 1.00 0.00 C +ATOM 32 CA GLN A 32 255.172 262.436 278.380 1.00 0.00 C +ATOM 33 CA ASP A 33 257.160 259.187 278.498 1.00 0.00 C +ATOM 34 CA PRO A 34 258.972 256.006 277.443 1.00 0.00 C +ATOM 35 CA GLU A 35 258.463 254.565 273.953 1.00 0.00 C +ATOM 36 CA ALA A 36 255.900 252.261 272.328 1.00 0.00 C +ATOM 37 CA GLN A 37 253.801 252.994 269.235 1.00 0.00 C +ATOM 38 CA LYS A 38 253.070 252.542 265.523 1.00 0.00 C +ATOM 39 CA ASN A 39 252.658 252.423 261.737 1.00 0.00 C +ATOM 40 CA ASP A 40 255.824 252.390 259.618 1.00 0.00 C +ATOM 41 CA GLU A 41 254.920 252.420 255.917 1.00 0.00 C +ATOM 42 CA HIS A 42 254.645 255.758 254.102 1.00 0.00 C +ATOM 43 CA ALA A 43 252.239 255.753 251.148 1.00 0.00 C +ATOM 44 CA THR A 44 251.303 252.143 250.367 1.00 0.00 C +ATOM 45 CA THR A 45 253.354 249.790 248.182 1.00 0.00 C +ATOM 46 CA SER A 46 254.860 248.304 245.013 1.00 0.00 C +ATOM 47 CA ALA A 47 254.620 244.517 245.356 1.00 0.00 C +ATOM 48 CA PRO A 48 253.962 241.581 243.020 1.00 0.00 C +ATOM 49 CA LEU A 49 256.868 239.790 241.329 1.00 0.00 C +ATOM 50 CA THR A 50 259.417 241.549 239.110 1.00 0.00 C +ATOM 51 CA ALA A 51 261.845 244.063 240.628 1.00 0.00 C +ATOM 52 CA SER A 52 265.319 243.053 239.435 1.00 0.00 C +ATOM 53 CA ALA A 53 267.829 243.562 236.614 1.00 0.00 C +ATOM 54 CA LEU A 54 271.321 242.317 235.736 1.00 0.00 C +ATOM 55 CA SER A 55 274.283 244.705 235.939 1.00 0.00 C +ATOM 56 CA SER A 56 277.982 243.825 236.187 1.00 0.00 C +ATOM 57 CA HIS A 57 279.457 240.619 237.622 1.00 0.00 C +ATOM 58 CA PRO A 58 282.120 240.422 240.340 1.00 0.00 C +ATOM 59 CA PRO A 59 285.170 238.522 239.073 1.00 0.00 C +ATOM 60 CA GLN A 60 288.263 240.621 238.333 1.00 0.00 C +ATOM 61 CA TYR A 61 287.376 244.125 239.537 1.00 0.00 C +ATOM 62 CA VAL A 62 284.431 246.235 238.357 1.00 0.00 C +ATOM 63 CA ARG A 63 284.015 249.630 236.680 1.00 0.00 C +ATOM 64 CA GLY A 64 284.921 253.184 235.647 1.00 0.00 C +ATOM 65 CA GLY A 65 282.057 255.131 234.060 1.00 0.00 C +ATOM 66 CA ARG A 66 278.636 256.557 233.174 1.00 0.00 C +ATOM 67 CA GLY A 67 276.116 253.711 232.918 1.00 0.00 C +ATOM 68 CA GLY A 68 273.590 251.008 233.831 1.00 0.00 C +ATOM 69 CA ALA A 69 271.881 249.056 231.041 1.00 0.00 C +ATOM 70 CA GLY A 70 270.967 247.896 227.529 1.00 0.00 C +ATOM 71 CA ASN A 71 270.411 247.278 223.811 1.00 0.00 C +ATOM 72 CA TYR A 72 269.538 248.263 220.235 1.00 0.00 C +ATOM 73 CA THR A 73 266.124 249.259 218.870 1.00 0.00 C +ATOM 74 CA GLU A 74 266.333 253.021 218.305 1.00 0.00 C +ATOM 75 CA PRO A 75 265.824 256.491 216.817 1.00 0.00 C +ATOM 76 CA PRO A 76 267.760 256.511 213.536 1.00 0.00 C +ATOM 77 CA THR A 77 269.218 253.159 212.462 1.00 0.00 C +ATOM 78 CA ILE A 78 270.552 250.255 214.535 1.00 0.00 C +ATOM 79 CA ALA A 79 273.483 251.654 216.527 1.00 0.00 C +ATOM 80 CA GLU A 80 275.307 252.979 219.599 1.00 0.00 C +ATOM 81 CA ALA A 81 274.704 256.142 221.634 1.00 0.00 C +ATOM 82 CA GLN A 82 271.323 256.537 223.346 1.00 0.00 C +ATOM 83 CA ASP A 83 268.120 254.849 224.532 1.00 0.00 C +ATOM 84 CA ARG A 84 264.909 253.716 226.241 1.00 0.00 C +ATOM 85 CA GLN A 85 263.156 250.653 227.679 1.00 0.00 C +ATOM 86 CA ASP A 86 260.165 251.496 229.884 1.00 0.00 C +ATOM 87 CA VAL A 87 256.708 251.418 231.483 1.00 0.00 C +ATOM 88 CA VAL A 88 255.507 254.849 232.624 1.00 0.00 C +ATOM 89 CA GLU A 89 252.714 257.331 233.367 1.00 0.00 C +ATOM 90 CA ARG A 90 250.982 256.429 236.639 1.00 0.00 C +ATOM 91 CA THR A 91 250.613 253.378 238.890 1.00 0.00 C +ATOM 92 CA LYS A 92 247.380 251.695 237.777 1.00 0.00 C +ATOM 93 CA ALA A 93 245.673 250.123 240.798 1.00 0.00 C +ATOM 94 CA ALA A 94 243.759 251.732 243.673 1.00 0.00 C +ATOM 95 CA VAL A 95 241.847 254.653 245.199 1.00 0.00 C +ATOM 96 CA SER A 96 240.711 258.109 244.068 1.00 0.00 C +ATOM 97 CA ALA A 97 241.463 261.065 241.784 1.00 0.00 C +ATOM 98 CA SER A 98 244.764 260.884 239.891 1.00 0.00 C +ATOM 99 CA GLY A 99 247.661 263.342 239.597 1.00 0.00 C +ATOM 100 CA ALA A 100 251.385 263.811 240.246 1.00 0.00 C +ATOM 101 CA GLY A 101 254.292 266.120 239.387 1.00 0.00 C +ATOM 102 CA ARG A 102 257.203 265.286 237.075 1.00 0.00 C +ATOM 103 CA PRO A 103 256.532 263.788 233.637 1.00 0.00 C +ATOM 104 CA ARG A 104 255.745 266.390 230.968 1.00 0.00 C +ATOM 105 CA ALA A 105 256.781 264.915 227.612 1.00 0.00 C +ATOM 106 CA GLY A 106 260.277 263.403 227.533 1.00 0.00 C +ATOM 107 CA PHE A 107 260.506 259.798 226.322 1.00 0.00 C +ATOM 108 CA THR A 108 260.755 258.702 222.681 1.00 0.00 C +ATOM 109 CA SER A 109 261.088 255.163 221.310 1.00 0.00 C +ATOM 110 CA ARG A 110 259.783 251.621 220.795 1.00 0.00 C +ATOM 111 CA GLY A 111 256.329 250.507 221.956 1.00 0.00 C +ATOM 112 CA GLY A 112 253.310 250.312 224.273 1.00 0.00 C +ATOM 113 CA ALA A 113 250.690 247.874 225.579 1.00 0.00 C +ATOM 114 CA GLY A 114 248.575 249.718 228.157 1.00 0.00 C +ATOM 115 CA ASN A 115 249.378 252.506 230.626 1.00 0.00 C +ATOM 116 CA TRP A 116 246.452 254.831 231.364 1.00 0.00 C +ATOM 117 CA ALA A 117 243.681 255.467 233.901 1.00 0.00 C +ATOM 118 CA GLU A 118 240.723 253.794 235.625 1.00 0.00 C +ATOM 119 CA ASP A 119 239.119 251.111 237.803 1.00 0.00 C +ATOM 120 CA ALA A 120 236.641 252.636 240.261 1.00 0.00 C +ATOM 121 CA PRO A 121 234.205 254.466 242.549 1.00 0.00 C +ATOM 122 CA ALA A 122 233.534 258.213 242.377 1.00 0.00 C +ATOM 123 CA ASP A 123 231.530 261.205 241.133 1.00 0.00 C +ATOM 124 CA ASP A 124 228.820 260.101 238.693 1.00 0.00 C +ATOM 125 CA SER A 125 225.041 259.633 238.840 1.00 0.00 C +ATOM 126 CA GLU A 126 222.894 258.639 241.826 1.00 0.00 C +ATOM 127 CA GLU A 127 219.265 258.803 240.674 1.00 0.00 C +ATOM 128 CA THR A 128 215.976 258.570 238.766 1.00 0.00 C +ATOM 129 CA THR A 129 212.596 257.195 237.670 1.00 0.00 C +ATOM 130 CA LYS A 130 210.396 256.172 240.607 1.00 0.00 C +ATOM 131 CA ARG A 131 209.272 252.913 242.229 1.00 0.00 C +ATOM 132 CA GLN A 132 206.631 250.697 243.851 1.00 0.00 C +ATOM 133 CA GLU A 133 204.725 247.470 243.164 1.00 0.00 C +ATOM 134 CA ILE A 134 206.813 245.623 240.567 1.00 0.00 C +ATOM 135 CA ALA A 135 207.887 243.406 237.660 1.00 0.00 C +ATOM 136 CA ASP A 136 210.797 242.926 235.248 1.00 0.00 C +ATOM 137 CA LYS A 137 214.371 241.744 235.834 1.00 0.00 C +ATOM 138 CA VAL A 138 214.864 240.093 239.232 1.00 0.00 C +ATOM 139 CA LYS A 139 217.690 237.624 239.889 1.00 0.00 C +ATOM 140 CA GLN A 140 219.630 237.884 243.158 1.00 0.00 C +ATOM 141 CA ASP A 141 222.943 238.003 245.037 1.00 0.00 C +ATOM 142 CA ILE A 142 223.653 239.221 248.576 1.00 0.00 C +ATOM 143 CA ASN A 143 227.244 240.225 249.356 1.00 0.00 C +ATOM 144 CA SER A 144 230.008 241.095 246.881 1.00 0.00 C +ATOM 145 CA SER A 145 233.709 240.348 246.375 1.00 0.00 C +ATOM 146 CA LEU A 146 235.746 237.583 244.725 1.00 0.00 C +ATOM 147 CA PRO A 147 234.360 234.044 244.457 1.00 0.00 C +ATOM 148 CA PRO A 148 235.452 230.588 243.282 1.00 0.00 C +ATOM 149 CA PRO A 149 237.333 228.086 245.454 1.00 0.00 C +ATOM 150 CA PRO A 150 241.047 227.890 244.628 1.00 0.00 C +ATOM 151 CA LYS A 151 244.633 226.652 244.271 1.00 0.00 C +ATOM 152 CA THR A 152 247.463 224.152 243.762 1.00 0.00 C +ATOM 153 CA TYR A 153 250.835 225.921 243.648 1.00 0.00 C +ATOM 154 CA HIS A 154 253.926 227.526 245.193 1.00 0.00 C +ATOM 155 CA GLN A 155 255.038 230.804 243.602 1.00 0.00 C +ATOM 156 CA HIS A 156 256.745 234.154 244.221 1.00 0.00 C +ATOM 157 CA ASP A 157 258.977 236.492 246.236 1.00 0.00 C +ATOM 158 CA ARG A 158 258.619 238.572 249.409 1.00 0.00 C +ATOM 159 CA ASP A 159 254.918 239.454 249.614 1.00 0.00 C +ATOM 160 CA MET A 160 252.417 238.954 252.445 1.00 0.00 C +ATOM 161 CA GLU A 161 250.435 241.904 253.817 1.00 0.00 C +TER 162 GLU A 161 +END diff --git a/Fungi/A0A2R6NK12/A0A2R6NK12.dcd b/Fungi/A0A2R6NK12/A0A2R6NK12.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8af4d4a25475683b0a054a6ceb0aae4efb5d9fca --- /dev/null +++ b/Fungi/A0A2R6NK12/A0A2R6NK12.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1f917084caa28cf4a29181568c41fd836a0069248d5dbb164d0eb191fbef25c5 +size 40440276 diff --git a/Fungi/A0A2R6NK12/top.pdb b/Fungi/A0A2R6NK12/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ff314f0b10f089a33222c59cd90d79e788aedc78 --- /dev/null +++ b/Fungi/A0A2R6NK12/top.pdb @@ -0,0 +1,222 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 196.384 228.076 247.855 1.00 0.00 C +ATOM 2 CA ASP A 2 198.451 229.153 244.841 1.00 0.00 C +ATOM 3 CA ARG A 3 197.321 232.277 242.975 1.00 0.00 C +ATOM 4 CA PRO A 4 194.785 235.113 242.775 1.00 0.00 C +ATOM 5 CA SER A 5 191.304 233.907 241.805 1.00 0.00 C +ATOM 6 CA THR A 6 188.929 231.743 239.756 1.00 0.00 C +ATOM 7 CA SER A 7 187.936 229.658 236.726 1.00 0.00 C +ATOM 8 CA SER A 8 184.356 228.483 237.290 1.00 0.00 C +ATOM 9 CA ARG A 9 181.759 226.019 238.593 1.00 0.00 C +ATOM 10 CA PRO A 10 180.947 222.317 238.985 1.00 0.00 C +ATOM 11 CA PHE A 11 177.755 221.126 240.691 1.00 0.00 C +ATOM 12 CA THR A 12 173.994 220.818 241.212 1.00 0.00 C +ATOM 13 CA ALA A 13 172.372 221.419 244.607 1.00 0.00 C +ATOM 14 CA SER A 14 171.061 224.300 246.727 1.00 0.00 C +ATOM 15 CA GLY A 15 168.757 223.064 249.499 1.00 0.00 C +ATOM 16 CA ARG A 16 165.778 225.346 250.159 1.00 0.00 C +ATOM 17 CA PRO A 17 166.093 228.432 247.947 1.00 0.00 C +ATOM 18 CA SER A 18 168.760 229.784 245.585 1.00 0.00 C +ATOM 19 CA THR A 19 170.712 232.442 243.678 1.00 0.00 C +ATOM 20 CA ALA A 20 171.805 231.184 240.252 1.00 0.00 C +ATOM 21 CA ARG A 21 174.717 228.912 239.317 1.00 0.00 C +ATOM 22 CA PRO A 22 175.919 227.453 242.625 1.00 0.00 C +ATOM 23 CA THR A 23 176.895 227.305 246.305 1.00 0.00 C +ATOM 24 CA THR A 24 179.402 224.465 246.713 1.00 0.00 C +ATOM 25 CA ALA A 25 183.170 224.674 246.189 1.00 0.00 C +ATOM 26 CA GLY A 26 184.173 221.510 244.319 1.00 0.00 C +ATOM 27 CA ASP A 27 187.076 219.457 242.949 1.00 0.00 C +ATOM 28 CA TYR A 28 190.700 220.547 243.389 1.00 0.00 C +ATOM 29 CA PRO A 29 192.589 220.835 246.685 1.00 0.00 C +ATOM 30 CA GLU A 30 196.281 221.642 247.164 1.00 0.00 C +ATOM 31 CA TYR A 31 198.359 221.257 243.994 1.00 0.00 C +ATOM 32 CA PHE A 32 201.994 221.094 242.862 1.00 0.00 C +ATOM 33 CA ASP A 33 202.722 217.789 241.111 1.00 0.00 C +ATOM 34 CA ASN A 34 202.158 215.108 243.759 1.00 0.00 C +ATOM 35 CA HIS A 35 204.773 212.339 243.656 1.00 0.00 C +ATOM 36 CA PRO A 36 208.324 212.811 242.358 1.00 0.00 C +ATOM 37 CA GLN A 37 211.589 213.582 244.164 1.00 0.00 C +ATOM 38 CA TYR A 38 211.482 216.465 246.652 1.00 0.00 C +ATOM 39 CA THR A 39 214.504 218.671 245.929 1.00 0.00 C +ATOM 40 CA SER A 40 217.311 216.441 244.639 1.00 0.00 C +ATOM 41 CA TYR A 41 218.682 215.301 241.272 1.00 0.00 C +ATOM 42 CA SER A 42 220.555 217.589 238.869 1.00 0.00 C +ATOM 43 CA GLN A 43 222.073 221.045 239.384 1.00 0.00 C +ATOM 44 CA GLU A 44 220.224 224.263 238.522 1.00 0.00 C +ATOM 45 CA TYR A 45 219.308 227.888 237.791 1.00 0.00 C +ATOM 46 CA THR A 46 216.368 230.223 237.141 1.00 0.00 C +ATOM 47 CA ALA A 47 213.758 232.680 238.434 1.00 0.00 C +ATOM 48 CA GLY A 48 213.107 235.754 236.279 1.00 0.00 C +ATOM 49 CA SER A 49 210.812 238.794 236.211 1.00 0.00 C +ATOM 50 CA ASP A 50 212.609 242.024 237.137 1.00 0.00 C +ATOM 51 CA GLU A 51 215.674 243.693 238.663 1.00 0.00 C +ATOM 52 CA ASP A 52 219.372 243.763 239.579 1.00 0.00 C +ATOM 53 CA GLU A 53 222.972 243.787 238.332 1.00 0.00 C +ATOM 54 CA GLU A 54 225.570 241.450 239.849 1.00 0.00 C +ATOM 55 CA SER A 55 226.491 242.355 243.434 1.00 0.00 C +ATOM 56 CA GLU A 56 230.074 243.403 244.194 1.00 0.00 C +ATOM 57 CA ALA A 57 232.805 242.069 246.491 1.00 0.00 C +ATOM 58 CA GLU A 58 234.747 239.119 245.062 1.00 0.00 C +ATOM 59 CA ASP A 59 233.378 237.088 242.143 1.00 0.00 C +ATOM 60 CA VAL A 60 233.463 233.429 243.199 1.00 0.00 C +ATOM 61 CA PHE A 61 232.142 232.646 246.686 1.00 0.00 C +ATOM 62 CA ALA A 62 231.151 229.203 247.982 1.00 0.00 C +ATOM 63 CA PHE A 63 231.680 225.740 249.480 1.00 0.00 C +ATOM 64 CA GLY A 64 235.002 224.448 248.133 1.00 0.00 C +ATOM 65 CA PRO A 65 236.202 223.168 244.751 1.00 0.00 C +ATOM 66 CA PRO A 66 239.858 223.133 243.680 1.00 0.00 C +ATOM 67 CA ALA A 67 241.928 225.773 241.874 1.00 0.00 C +ATOM 68 CA THR A 68 244.710 228.219 240.980 1.00 0.00 C +ATOM 69 CA ALA A 69 245.776 231.844 241.464 1.00 0.00 C +ATOM 70 CA ASP A 70 245.506 235.530 240.538 1.00 0.00 C +ATOM 71 CA PRO A 71 248.482 236.308 238.290 1.00 0.00 C +ATOM 72 CA VAL A 72 249.561 239.443 236.412 1.00 0.00 C +ATOM 73 CA GLN A 73 247.233 241.523 234.228 1.00 0.00 C +ATOM 74 CA ARG A 74 246.924 240.791 230.502 1.00 0.00 C +ATOM 75 CA PRO A 75 244.267 241.787 227.959 1.00 0.00 C +ATOM 76 CA SER A 76 242.982 242.356 224.418 1.00 0.00 C +ATOM 77 CA PRO A 77 245.913 241.595 222.107 1.00 0.00 C +ATOM 78 CA THR A 78 248.925 239.264 222.232 1.00 0.00 C +ATOM 79 CA SER A 79 252.226 237.363 222.312 1.00 0.00 C +ATOM 80 CA ALA A 80 251.859 233.651 221.540 1.00 0.00 C +ATOM 81 CA VAL A 81 249.689 230.680 222.528 1.00 0.00 C +ATOM 82 CA PRO A 82 247.983 227.655 224.097 1.00 0.00 C +ATOM 83 CA LEU A 83 249.304 224.133 223.495 1.00 0.00 C +ATOM 84 CA ILE A 84 248.769 220.819 221.693 1.00 0.00 C +ATOM 85 CA SER A 85 246.199 218.803 223.654 1.00 0.00 C +ATOM 86 CA PRO A 86 243.837 221.420 225.100 1.00 0.00 C +ATOM 87 CA SER A 87 242.103 224.302 226.890 1.00 0.00 C +ATOM 88 CA VAL A 88 238.412 223.360 226.851 1.00 0.00 C +ATOM 89 CA SER A 89 235.762 221.671 224.697 1.00 0.00 C +ATOM 90 CA PHE A 90 232.137 220.800 225.481 1.00 0.00 C +ATOM 91 CA PRO A 91 230.808 217.839 223.486 1.00 0.00 C +ATOM 92 CA PRO A 92 232.992 214.825 222.673 1.00 0.00 C +ATOM 93 CA PRO A 93 233.988 212.135 225.181 1.00 0.00 C +ATOM 94 CA THR A 94 234.809 212.979 228.804 1.00 0.00 C +ATOM 95 CA PHE A 95 235.884 211.193 231.994 1.00 0.00 C +ATOM 96 CA ASP A 96 235.098 212.424 235.513 1.00 0.00 C +ATOM 97 CA PRO A 97 231.339 213.045 235.573 1.00 0.00 C +ATOM 98 CA HIS A 98 227.941 212.030 236.966 1.00 0.00 C +ATOM 99 CA ALA A 99 224.306 212.937 237.658 1.00 0.00 C +ATOM 100 CA PRO A 100 222.717 213.098 234.200 1.00 0.00 C +ATOM 101 CA TYR A 101 219.439 214.310 232.681 1.00 0.00 C +ATOM 102 CA PRO A 102 218.503 217.999 232.854 1.00 0.00 C +ATOM 103 CA ASN A 103 216.783 221.300 233.666 1.00 0.00 C +ATOM 104 CA ILE A 104 216.310 223.054 230.316 1.00 0.00 C +ATOM 105 CA SER A 105 218.680 226.034 230.187 1.00 0.00 C +ATOM 106 CA SER A 106 217.176 229.534 230.176 1.00 0.00 C +ATOM 107 CA ILE A 107 216.944 230.866 226.614 1.00 0.00 C +ATOM 108 CA GLY A 108 216.681 234.486 225.455 1.00 0.00 C +ATOM 109 CA PRO A 109 219.397 236.427 227.290 1.00 0.00 C +ATOM 110 CA SER A 110 222.646 236.282 229.275 1.00 0.00 C +ATOM 111 CA SER A 111 225.651 238.291 230.480 1.00 0.00 C +ATOM 112 CA LEU A 112 228.381 240.904 229.998 1.00 0.00 C +ATOM 113 CA HIS A 113 231.890 241.731 231.230 1.00 0.00 C +ATOM 114 CA THR A 114 233.795 244.017 233.610 1.00 0.00 C +ATOM 115 CA ARG A 115 235.042 247.594 234.010 1.00 0.00 C +ATOM 116 CA HIS A 116 231.936 249.699 234.669 1.00 0.00 C +ATOM 117 CA PRO A 117 231.173 252.292 237.355 1.00 0.00 C +ATOM 118 CA TYR A 118 232.608 251.546 240.804 1.00 0.00 C +ATOM 119 CA PRO A 119 231.932 253.361 244.085 1.00 0.00 C +ATOM 120 CA MET A 120 234.468 255.329 246.138 1.00 0.00 C +ATOM 121 CA SER A 121 235.981 258.750 245.417 1.00 0.00 C +ATOM 122 CA PRO A 122 239.611 259.818 244.967 1.00 0.00 C +ATOM 123 CA GLN A 123 240.163 263.353 246.279 1.00 0.00 C +ATOM 124 CA VAL A 124 241.307 265.127 249.450 1.00 0.00 C +ATOM 125 CA GLU A 125 244.901 266.384 249.575 1.00 0.00 C +ATOM 126 CA SER A 126 247.923 267.809 247.743 1.00 0.00 C +ATOM 127 CA PRO A 127 247.481 269.513 244.364 1.00 0.00 C +ATOM 128 CA PRO A 128 246.963 270.159 240.645 1.00 0.00 C +ATOM 129 CA SER A 129 248.002 273.222 238.632 1.00 0.00 C +ATOM 130 CA THR A 130 246.770 272.657 235.071 1.00 0.00 C +ATOM 131 CA GLU A 131 246.303 269.457 233.057 1.00 0.00 C +ATOM 132 CA SER A 132 249.292 267.223 232.287 1.00 0.00 C +ATOM 133 CA HIS A 133 252.372 265.632 230.707 1.00 0.00 C +ATOM 134 CA SER A 134 253.444 262.027 231.315 1.00 0.00 C +ATOM 135 CA ASP A 135 254.206 260.415 234.682 1.00 0.00 C +ATOM 136 CA ASP A 136 254.354 262.808 237.643 1.00 0.00 C +ATOM 137 CA PRO A 137 252.480 265.960 238.677 1.00 0.00 C +ATOM 138 CA TYR A 138 253.140 269.354 240.278 1.00 0.00 C +ATOM 139 CA ARG A 139 255.333 272.353 239.435 1.00 0.00 C +ATOM 140 CA MET A 140 258.323 274.708 239.250 1.00 0.00 C +ATOM 141 CA ARG A 141 259.334 276.321 242.551 1.00 0.00 C +ATOM 142 CA ARG A 142 261.514 274.009 244.652 1.00 0.00 C +ATOM 143 CA MET A 143 263.075 273.311 248.057 1.00 0.00 C +ATOM 144 CA MET A 144 261.990 270.285 250.103 1.00 0.00 C +ATOM 145 CA GLN A 145 259.714 267.657 251.661 1.00 0.00 C +ATOM 146 CA PRO A 146 260.828 265.941 254.875 1.00 0.00 C +ATOM 147 CA ALA A 147 260.612 262.265 255.850 1.00 0.00 C +ATOM 148 CA SER A 148 262.465 259.390 257.529 1.00 0.00 C +ATOM 149 CA PRO A 149 263.815 256.683 259.845 1.00 0.00 C +ATOM 150 CA THR A 150 266.973 257.511 261.809 1.00 0.00 C +ATOM 151 CA THR A 151 267.319 257.051 265.575 1.00 0.00 C +ATOM 152 CA ASN A 152 268.905 259.976 267.431 1.00 0.00 C +ATOM 153 CA THR A 153 272.595 259.051 267.636 1.00 0.00 C +ATOM 154 CA THR A 154 275.677 258.451 269.795 1.00 0.00 C +ATOM 155 CA ARG A 155 279.393 257.879 269.179 1.00 0.00 C +ATOM 156 CA THR A 156 282.992 257.522 267.982 1.00 0.00 C +ATOM 157 CA GLY A 157 285.560 258.876 265.514 1.00 0.00 C +ATOM 158 CA THR A 158 288.887 257.041 265.789 1.00 0.00 C +ATOM 159 CA VAL A 159 292.315 256.407 267.326 1.00 0.00 C +ATOM 160 CA HIS A 160 295.206 254.496 268.910 1.00 0.00 C +ATOM 161 CA THR A 161 297.842 254.191 271.644 1.00 0.00 C +ATOM 162 CA GLY A 162 301.538 254.827 272.314 1.00 0.00 C +ATOM 163 CA GLY A 163 304.772 252.956 271.572 1.00 0.00 C +ATOM 164 CA ARG A 164 307.519 255.186 270.157 1.00 0.00 C +ATOM 165 CA SER A 165 307.988 258.962 270.338 1.00 0.00 C +ATOM 166 CA ALA A 166 308.898 259.959 273.901 1.00 0.00 C +ATOM 167 CA VAL A 167 307.734 263.063 275.778 1.00 0.00 C +ATOM 168 CA SER A 168 305.036 264.981 277.665 1.00 0.00 C +ATOM 169 CA SER A 169 303.360 268.199 276.502 1.00 0.00 C +ATOM 170 CA ALA A 170 305.857 271.059 276.185 1.00 0.00 C +ATOM 171 CA VAL A 171 308.690 270.557 273.686 1.00 0.00 C +ATOM 172 CA SER A 172 308.022 267.698 271.258 1.00 0.00 C +ATOM 173 CA SER A 173 306.084 268.278 268.029 1.00 0.00 C +ATOM 174 CA ARG A 174 304.842 265.315 265.980 1.00 0.00 C +ATOM 175 CA GLU A 175 302.284 262.535 266.473 1.00 0.00 C +ATOM 176 CA VAL A 176 300.037 260.333 268.623 1.00 0.00 C +ATOM 177 CA HIS A 177 299.410 261.575 272.170 1.00 0.00 C +ATOM 178 CA VAL A 178 298.369 264.191 274.737 1.00 0.00 C +ATOM 179 CA SER A 179 295.757 266.685 275.950 1.00 0.00 C +ATOM 180 CA LEU A 180 295.537 269.355 273.241 1.00 0.00 C +ATOM 181 CA PRO A 181 295.431 273.160 273.412 1.00 0.00 C +ATOM 182 CA ARG A 182 297.322 275.078 270.716 1.00 0.00 C +ATOM 183 CA THR A 183 299.454 278.048 271.784 1.00 0.00 C +ATOM 184 CA ARG A 184 299.530 281.485 270.142 1.00 0.00 C +ATOM 185 CA ASP A 185 297.294 284.410 271.122 1.00 0.00 C +ATOM 186 CA ARG A 186 299.251 287.077 273.014 1.00 0.00 C +ATOM 187 CA ILE A 187 300.207 285.607 276.397 1.00 0.00 C +ATOM 188 CA GLU A 188 302.828 282.993 277.298 1.00 0.00 C +ATOM 189 CA GLU A 189 305.316 280.710 275.532 1.00 0.00 C +ATOM 190 CA GLU A 190 309.014 280.602 274.622 1.00 0.00 C +ATOM 191 CA GLN A 191 310.436 283.984 273.596 1.00 0.00 C +ATOM 192 CA LEU A 192 311.850 285.399 270.354 1.00 0.00 C +ATOM 193 CA ASP A 193 309.306 286.107 267.607 1.00 0.00 C +ATOM 194 CA ASP A 194 306.447 288.201 266.207 1.00 0.00 C +ATOM 195 CA LEU A 195 305.528 290.708 268.925 1.00 0.00 C +ATOM 196 CA GLN A 196 305.485 288.640 272.124 1.00 0.00 C +ATOM 197 CA LYS A 197 306.674 288.604 275.744 1.00 0.00 C +ATOM 198 CA THR A 198 310.031 290.399 275.906 1.00 0.00 C +ATOM 199 CA ARG A 199 310.043 294.184 276.337 1.00 0.00 C +ATOM 200 CA PRO A 200 311.816 295.648 279.375 1.00 0.00 C +ATOM 201 CA PRO A 201 315.624 295.538 279.461 1.00 0.00 C +ATOM 202 CA SER A 202 318.136 293.442 281.412 1.00 0.00 C +ATOM 203 CA SER A 203 321.909 293.458 280.880 1.00 0.00 C +ATOM 204 CA ALA A 204 324.060 296.326 282.170 1.00 0.00 C +ATOM 205 CA THR A 205 323.604 300.025 282.960 1.00 0.00 C +ATOM 206 CA SER A 206 321.151 302.927 282.685 1.00 0.00 C +ATOM 207 CA PHE A 207 321.211 306.725 282.382 1.00 0.00 C +ATOM 208 CA PRO A 208 324.261 308.967 282.813 1.00 0.00 C +ATOM 209 CA SER A 209 323.148 311.889 284.990 1.00 0.00 C +ATOM 210 CA LEU A 210 324.507 312.833 288.422 1.00 0.00 C +ATOM 211 CA ASP A 211 326.014 315.127 291.065 1.00 0.00 C +ATOM 212 CA SER A 212 329.589 316.085 290.162 1.00 0.00 C +ATOM 213 CA ALA A 213 332.328 313.738 288.934 1.00 0.00 C +ATOM 214 CA SER A 214 333.587 314.262 285.376 1.00 0.00 C +ATOM 215 CA ALA A 215 335.234 314.193 281.942 1.00 0.00 C +ATOM 216 CA SER A 216 333.892 311.798 279.300 1.00 0.00 C +ATOM 217 CA ILE A 217 330.856 309.501 279.143 1.00 0.00 C +ATOM 218 CA LYS A 218 329.257 307.635 276.231 1.00 0.00 C +TER 219 LYS A 218 +END diff --git a/Fungi/A0A2R6PG11/A0A2R6PG11.dcd b/Fungi/A0A2R6PG11/A0A2R6PG11.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a0e59643fd4febfb7c81897c3512cb6744dc4d0d --- /dev/null +++ b/Fungi/A0A2R6PG11/A0A2R6PG11.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3aae71fbe346f9b20de43d600a0b98fb836560ea390e338cefb4f28324498910 +size 21800276 diff --git a/Fungi/A0A2R6PG11/top.pdb b/Fungi/A0A2R6PG11/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..30a8b24c7bb6f4ba8ce5943a24753eebb98340cb --- /dev/null +++ b/Fungi/A0A2R6PG11/top.pdb @@ -0,0 +1,179 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 240.160 275.822 228.149 1.00 0.00 C +ATOM 2 CA GLN A 2 240.488 277.470 231.568 1.00 0.00 C +ATOM 3 CA LEU A 3 238.657 277.880 234.884 1.00 0.00 C +ATOM 4 CA LEU A 4 240.021 277.064 238.346 1.00 0.00 C +ATOM 5 CA GLN A 5 243.525 275.979 239.377 1.00 0.00 C +ATOM 6 CA GLY A 6 245.844 274.825 236.582 1.00 0.00 C +ATOM 7 CA ARG A 7 244.566 271.391 235.539 1.00 0.00 C +ATOM 8 CA PRO A 8 245.205 268.579 238.029 1.00 0.00 C +ATOM 9 CA ARG A 9 244.872 266.487 241.196 1.00 0.00 C +ATOM 10 CA PRO A 10 245.842 265.441 244.729 1.00 0.00 C +ATOM 11 CA SER A 11 249.507 265.336 245.764 1.00 0.00 C +ATOM 12 CA SER A 12 251.129 262.674 243.573 1.00 0.00 C +ATOM 13 CA SER A 13 249.756 262.197 240.052 1.00 0.00 C +ATOM 14 CA PHE A 14 247.885 259.213 238.597 1.00 0.00 C +ATOM 15 CA SER A 15 245.450 257.552 241.011 1.00 0.00 C +ATOM 16 CA ARG A 16 241.714 258.213 241.359 1.00 0.00 C +ATOM 17 CA ASN A 17 238.563 256.668 239.875 1.00 0.00 C +ATOM 18 CA ARG A 18 237.002 253.280 239.103 1.00 0.00 C +ATOM 19 CA PRO A 19 237.580 249.924 237.395 1.00 0.00 C +ATOM 20 CA ASP A 20 236.484 246.528 238.732 1.00 0.00 C +ATOM 21 CA SER A 21 235.105 243.369 240.354 1.00 0.00 C +ATOM 22 CA THR A 22 233.076 243.234 243.576 1.00 0.00 C +ATOM 23 CA ASP A 23 231.734 242.450 247.055 1.00 0.00 C +ATOM 24 CA PRO A 24 230.383 242.165 250.606 1.00 0.00 C +ATOM 25 CA PHE A 25 232.252 243.397 253.690 1.00 0.00 C +ATOM 26 CA GLY A 26 235.624 244.566 252.356 1.00 0.00 C +ATOM 27 CA ASP A 27 239.294 245.116 251.494 1.00 0.00 C +ATOM 28 CA ASN A 28 241.847 246.195 248.880 1.00 0.00 C +ATOM 29 CA VAL A 29 239.766 247.565 245.998 1.00 0.00 C +ATOM 30 CA GLU A 30 236.836 249.977 246.333 1.00 0.00 C +ATOM 31 CA GLN A 31 233.324 248.900 247.342 1.00 0.00 C +ATOM 32 CA ASP A 32 230.846 251.354 245.808 1.00 0.00 C +ATOM 33 CA ASP A 33 230.098 254.915 244.680 1.00 0.00 C +ATOM 34 CA ARG A 34 231.375 257.647 242.351 1.00 0.00 C +ATOM 35 CA SER A 35 228.524 258.989 240.209 1.00 0.00 C +ATOM 36 CA PRO A 36 228.460 260.502 236.713 1.00 0.00 C +ATOM 37 CA LEU A 37 232.094 261.102 235.738 1.00 0.00 C +ATOM 38 CA VAL A 38 233.686 262.763 232.701 1.00 0.00 C +ATOM 39 CA ASN A 39 234.651 260.719 229.633 1.00 0.00 C +ATOM 40 CA PRO A 40 233.254 261.717 226.232 1.00 0.00 C +ATOM 41 CA SER A 41 230.280 261.907 223.858 1.00 0.00 C +ATOM 42 CA SER A 42 227.222 262.980 225.862 1.00 0.00 C +ATOM 43 CA ALA A 43 225.730 265.837 223.833 1.00 0.00 C +ATOM 44 CA VAL A 44 224.984 264.692 220.276 1.00 0.00 C +ATOM 45 CA GLU A 45 225.157 261.437 218.304 1.00 0.00 C +ATOM 46 CA GLY A 46 225.833 260.235 214.752 1.00 0.00 C +ATOM 47 CA THR A 47 227.229 262.932 212.452 1.00 0.00 C +ATOM 48 CA ARG A 48 229.496 265.036 214.677 1.00 0.00 C +ATOM 49 CA SER A 49 229.119 268.674 213.610 1.00 0.00 C +ATOM 50 CA ARG A 50 231.160 270.779 216.042 1.00 0.00 C +ATOM 51 CA GLY A 51 234.154 268.831 217.366 1.00 0.00 C +ATOM 52 CA ALA A 52 234.192 268.687 221.173 1.00 0.00 C +ATOM 53 CA THR A 53 236.669 271.135 222.718 1.00 0.00 C +ATOM 54 CA THR A 54 239.124 272.994 220.475 1.00 0.00 C +ATOM 55 CA SER A 55 242.813 273.131 221.416 1.00 0.00 C +ATOM 56 CA ILE A 56 244.870 276.021 222.808 1.00 0.00 C +ATOM 57 CA SER A 57 246.176 277.371 226.122 1.00 0.00 C +ATOM 58 CA ILE A 58 246.384 275.825 229.598 1.00 0.00 C +ATOM 59 CA ALA A 59 248.704 273.029 230.747 1.00 0.00 C +ATOM 60 CA THR A 60 251.410 270.389 230.275 1.00 0.00 C +ATOM 61 CA SER A 61 254.240 270.773 232.797 1.00 0.00 C +ATOM 62 CA SER A 62 255.938 269.937 236.103 1.00 0.00 C +ATOM 63 CA ARG A 63 253.987 269.736 239.369 1.00 0.00 C +ATOM 64 CA SER A 64 250.853 271.799 238.705 1.00 0.00 C +ATOM 65 CA ALA A 65 251.007 274.678 241.196 1.00 0.00 C +ATOM 66 CA SER A 66 252.242 275.900 244.586 1.00 0.00 C +ATOM 67 CA ARG A 67 254.362 279.062 244.746 1.00 0.00 C +ATOM 68 CA ALA A 68 258.071 279.937 244.761 1.00 0.00 C +ATOM 69 CA GLY A 69 260.788 277.796 246.357 1.00 0.00 C +ATOM 70 CA ALA A 70 263.503 276.951 243.820 1.00 0.00 C +ATOM 71 CA VAL A 71 263.692 275.946 240.150 1.00 0.00 C +ATOM 72 CA SER A 72 260.548 276.985 238.267 1.00 0.00 C +ATOM 73 CA PRO A 73 259.457 275.192 235.087 1.00 0.00 C +ATOM 74 CA ALA A 74 260.471 272.235 232.909 1.00 0.00 C +ATOM 75 CA ARG A 75 262.652 270.382 230.394 1.00 0.00 C +ATOM 76 CA THR A 76 265.408 269.022 228.143 1.00 0.00 C +ATOM 77 CA VAL A 77 264.220 265.538 227.158 1.00 0.00 C +ATOM 78 CA VAL A 78 262.996 265.272 223.560 1.00 0.00 C +ATOM 79 CA SER A 79 264.324 266.235 220.120 1.00 0.00 C +ATOM 80 CA ARG A 80 267.949 267.363 220.433 1.00 0.00 C +ATOM 81 CA ALA A 81 270.106 267.248 217.294 1.00 0.00 C +ATOM 82 CA GLU A 82 269.754 263.665 216.047 1.00 0.00 C +ATOM 83 CA SER A 83 270.560 260.551 214.006 1.00 0.00 C +ATOM 84 CA ARG A 84 272.319 257.368 215.143 1.00 0.00 C +ATOM 85 CA HIS A 85 274.351 257.308 218.366 1.00 0.00 C +ATOM 86 CA THR A 86 275.272 255.957 221.807 1.00 0.00 C +ATOM 87 CA THR A 87 272.149 254.601 223.516 1.00 0.00 C +ATOM 88 CA ASN A 88 272.117 251.153 225.136 1.00 0.00 C +ATOM 89 CA HIS A 89 268.879 249.647 226.464 1.00 0.00 C +ATOM 90 CA ALA A 90 267.778 250.085 230.085 1.00 0.00 C +ATOM 91 CA VAL A 91 267.308 246.809 231.973 1.00 0.00 C +ATOM 92 CA GLY A 92 268.405 243.263 232.833 1.00 0.00 C +ATOM 93 CA HIS A 93 265.375 240.958 232.676 1.00 0.00 C +ATOM 94 CA ASP A 94 263.895 239.615 229.432 1.00 0.00 C +ATOM 95 CA SER A 95 261.301 236.843 229.761 1.00 0.00 C +ATOM 96 CA GLN A 96 260.041 234.285 232.288 1.00 0.00 C +ATOM 97 CA THR A 97 259.484 234.843 236.016 1.00 0.00 C +ATOM 98 CA GLY A 98 259.644 236.452 239.466 1.00 0.00 C +ATOM 99 CA SER A 99 260.490 234.265 242.468 1.00 0.00 C +ATOM 100 CA ARG A 100 262.374 232.112 244.985 1.00 0.00 C +ATOM 101 CA TYR A 101 265.254 230.804 247.109 1.00 0.00 C +ATOM 102 CA SER A 102 264.822 230.925 250.892 1.00 0.00 C +ATOM 103 CA PRO A 103 265.223 228.791 254.023 1.00 0.00 C +ATOM 104 CA LEU A 104 262.643 228.155 256.753 1.00 0.00 C +ATOM 105 CA SER A 105 260.354 230.777 258.303 1.00 0.00 C +ATOM 106 CA PRO A 106 260.477 234.295 259.760 1.00 0.00 C +ATOM 107 CA ARG A 107 262.748 235.759 262.446 1.00 0.00 C +ATOM 108 CA LEU A 108 266.246 236.798 263.543 1.00 0.00 C +ATOM 109 CA PHE A 109 269.367 234.687 264.106 1.00 0.00 C +ATOM 110 CA ALA A 110 272.031 236.376 266.242 1.00 0.00 C +ATOM 111 CA ARG A 111 275.042 237.236 264.072 1.00 0.00 C +ATOM 112 CA LYS A 112 275.129 240.604 262.293 1.00 0.00 C +ATOM 113 CA SER A 113 274.791 243.425 264.832 1.00 0.00 C +ATOM 114 CA GLN A 114 272.585 242.519 267.803 1.00 0.00 C +ATOM 115 CA ILE A 115 268.983 243.726 268.096 1.00 0.00 C +ATOM 116 CA ASN A 116 265.286 244.220 268.875 1.00 0.00 C +ATOM 117 CA GLU A 117 264.914 245.138 272.554 1.00 0.00 C +ATOM 118 CA GLU A 118 266.619 248.385 273.585 1.00 0.00 C +ATOM 119 CA GLU A 119 267.044 250.540 276.698 1.00 0.00 C +ATOM 120 CA ASP A 120 268.891 253.653 275.509 1.00 0.00 C +ATOM 121 CA LEU A 121 268.674 256.786 277.666 1.00 0.00 C +ATOM 122 CA PHE A 122 265.303 256.858 279.440 1.00 0.00 C +ATOM 123 CA SER A 123 262.485 256.788 282.004 1.00 0.00 C +ATOM 124 CA ASP A 124 261.065 254.284 284.499 1.00 0.00 C +ATOM 125 CA ALA A 125 259.601 250.972 285.684 1.00 0.00 C +ATOM 126 CA ASP A 126 256.298 250.831 287.579 1.00 0.00 C +ATOM 127 CA TRP A 127 255.231 247.652 289.386 1.00 0.00 C +ATOM 128 CA SER A 128 256.834 247.784 292.840 1.00 0.00 C +ATOM 129 CA HIS A 129 256.535 245.606 295.952 1.00 0.00 C +ATOM 130 CA MET A 130 259.610 243.429 296.517 1.00 0.00 C +ATOM 131 CA ASP A 131 262.168 240.619 296.237 1.00 0.00 C +ATOM 132 CA ASP A 132 265.472 239.319 297.620 1.00 0.00 C +ATOM 133 CA PRO A 133 265.562 235.639 296.637 1.00 0.00 C +ATOM 134 CA PHE A 134 263.312 232.951 298.128 1.00 0.00 C +ATOM 135 CA ALA A 135 260.181 231.833 296.267 1.00 0.00 C +ATOM 136 CA ASN A 136 256.770 231.931 294.573 1.00 0.00 C +ATOM 137 CA PRO A 137 255.215 234.421 292.144 1.00 0.00 C +ATOM 138 CA ASN A 138 251.513 234.223 291.265 1.00 0.00 C +ATOM 139 CA ALA A 139 250.704 230.548 290.669 1.00 0.00 C +ATOM 140 CA ARG A 140 249.282 227.078 291.344 1.00 0.00 C +ATOM 141 CA SER A 141 249.005 223.469 290.156 1.00 0.00 C +ATOM 142 CA VAL A 142 248.599 220.666 287.607 1.00 0.00 C +ATOM 143 CA ASP A 143 245.977 217.922 287.276 1.00 0.00 C +ATOM 144 CA LEU A 144 242.839 216.859 285.395 1.00 0.00 C +ATOM 145 CA ASP A 145 241.760 216.303 281.783 1.00 0.00 C +ATOM 146 CA PRO A 146 244.551 217.820 279.679 1.00 0.00 C +ATOM 147 CA ASP A 147 244.418 216.683 276.045 1.00 0.00 C +ATOM 148 CA VAL A 148 245.602 219.452 273.712 1.00 0.00 C +ATOM 149 CA ARG A 149 248.025 222.391 273.615 1.00 0.00 C +ATOM 150 CA ASP A 150 248.342 226.146 274.180 1.00 0.00 C +ATOM 151 CA ALA A 151 249.295 226.658 277.833 1.00 0.00 C +ATOM 152 CA THR A 152 247.831 228.118 281.033 1.00 0.00 C +ATOM 153 CA SER A 153 245.749 228.509 284.200 1.00 0.00 C +ATOM 154 CA GLU A 154 241.975 228.261 283.741 1.00 0.00 C +ATOM 155 CA TYR A 155 240.692 229.606 280.415 1.00 0.00 C +ATOM 156 CA GLY A 156 237.518 230.288 278.421 1.00 0.00 C +ATOM 157 CA VAL A 157 234.938 227.796 277.135 1.00 0.00 C +ATOM 158 CA GLY A 158 232.912 226.798 274.067 1.00 0.00 C +ATOM 159 CA GLY A 159 230.006 228.864 272.726 1.00 0.00 C +ATOM 160 CA GLN A 160 231.178 231.409 270.144 1.00 0.00 C +ATOM 161 CA ALA A 161 231.864 232.588 266.587 1.00 0.00 C +ATOM 162 CA GLN A 162 232.638 234.389 263.319 1.00 0.00 C +ATOM 163 CA GLY A 163 234.361 236.413 260.590 1.00 0.00 C +ATOM 164 CA LYS A 164 234.165 239.080 257.876 1.00 0.00 C +ATOM 165 CA TYR A 165 237.079 238.393 255.519 1.00 0.00 C +ATOM 166 CA SER A 166 235.977 235.329 253.541 1.00 0.00 C +ATOM 167 CA LEU A 167 237.973 234.493 250.405 1.00 0.00 C +ATOM 168 CA LEU A 168 240.028 235.447 247.342 1.00 0.00 C +ATOM 169 CA GLN A 169 239.215 238.269 244.915 1.00 0.00 C +ATOM 170 CA LYS A 170 241.012 239.992 242.030 1.00 0.00 C +ATOM 171 CA MET A 171 242.379 237.997 239.086 1.00 0.00 C +ATOM 172 CA ARG A 172 246.111 238.462 238.478 1.00 0.00 C +ATOM 173 CA GLY A 173 249.602 236.943 238.329 1.00 0.00 C +ATOM 174 CA ARG A 174 249.656 233.270 239.338 1.00 0.00 C +ATOM 175 CA SER A 175 250.970 229.699 239.138 1.00 0.00 C +TER 176 SER A 175 +END diff --git a/Fungi/A0A2S4PHZ3/A0A2S4PHZ3.dcd b/Fungi/A0A2S4PHZ3/A0A2S4PHZ3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..98c970051c94f597f3f64850291ced39eff05d30 --- /dev/null +++ b/Fungi/A0A2S4PHZ3/A0A2S4PHZ3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5d4dc7fac3ee54486024e4d64cb62d7db8194f6b85bfac2d395374849e8d3f03 +size 38280276 diff --git a/Fungi/A0A2S4PHZ3/top.pdb b/Fungi/A0A2S4PHZ3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..19b1cdef5ed82e4034fc22bbc0157459561c046d --- /dev/null +++ b/Fungi/A0A2S4PHZ3/top.pdb @@ -0,0 +1,210 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 254.684 229.789 181.952 1.00 0.00 C +ATOM 2 CA SER A 2 252.457 231.170 184.718 1.00 0.00 C +ATOM 3 CA GLU A 3 252.964 234.544 186.412 1.00 0.00 C +ATOM 4 CA ALA A 4 252.977 234.112 190.197 1.00 0.00 C +ATOM 5 CA GLU A 5 249.998 233.669 192.531 1.00 0.00 C +ATOM 6 CA ALA A 6 247.583 231.716 194.737 1.00 0.00 C +ATOM 7 CA VAL A 7 248.607 228.143 195.576 1.00 0.00 C +ATOM 8 CA PRO A 8 247.004 225.555 193.285 1.00 0.00 C +ATOM 9 CA ALA A 9 245.856 222.342 194.981 1.00 0.00 C +ATOM 10 CA VAL A 10 246.126 219.963 197.945 1.00 0.00 C +ATOM 11 CA ALA A 11 249.794 219.278 198.717 1.00 0.00 C +ATOM 12 CA ALA A 12 252.148 219.289 201.712 1.00 0.00 C +ATOM 13 CA SER A 13 254.682 216.445 201.639 1.00 0.00 C +ATOM 14 CA PRO A 14 255.792 213.039 200.343 1.00 0.00 C +ATOM 15 CA LYS A 15 259.452 212.846 199.303 1.00 0.00 C +ATOM 16 CA LYS A 16 262.343 214.977 200.575 1.00 0.00 C +ATOM 17 CA ALA A 17 262.363 218.746 200.020 1.00 0.00 C +ATOM 18 CA ALA A 18 260.879 219.269 196.551 1.00 0.00 C +ATOM 19 CA ALA A 19 260.174 217.268 193.386 1.00 0.00 C +ATOM 20 CA LYS A 20 256.901 217.836 191.520 1.00 0.00 C +ATOM 21 CA ALA A 21 253.523 219.467 192.187 1.00 0.00 C +ATOM 22 CA ALA A 22 250.285 219.993 190.249 1.00 0.00 C +ATOM 23 CA ALA A 23 248.064 220.218 187.161 1.00 0.00 C +ATOM 24 CA ALA A 24 246.154 223.241 185.847 1.00 0.00 C +ATOM 25 CA LYS A 25 246.541 227.031 185.879 1.00 0.00 C +ATOM 26 CA LYS A 26 246.881 230.485 187.451 1.00 0.00 C +ATOM 27 CA PRO A 27 245.975 233.981 186.239 1.00 0.00 C +ATOM 28 CA ARG A 28 242.653 233.521 184.430 1.00 0.00 C +ATOM 29 CA ALA A 29 238.981 234.525 184.564 1.00 0.00 C +ATOM 30 CA LYS A 30 236.909 231.794 182.901 1.00 0.00 C +ATOM 31 CA PRO A 31 233.522 231.466 184.614 1.00 0.00 C +ATOM 32 CA ALA A 32 229.797 231.968 185.236 1.00 0.00 C +ATOM 33 CA HIS A 33 229.195 235.472 186.604 1.00 0.00 C +ATOM 34 CA PRO A 34 228.463 238.748 188.406 1.00 0.00 C +ATOM 35 CA LYS A 35 229.825 241.989 189.877 1.00 0.00 C +ATOM 36 CA THR A 36 232.221 244.440 188.213 1.00 0.00 C +ATOM 37 CA ALA A 37 233.699 242.784 185.117 1.00 0.00 C +ATOM 38 CA ASP A 38 237.016 241.199 184.116 1.00 0.00 C +ATOM 39 CA MET A 39 240.345 243.035 184.375 1.00 0.00 C +ATOM 40 CA VAL A 40 241.520 246.553 183.503 1.00 0.00 C +ATOM 41 CA ASN A 41 241.812 249.313 186.113 1.00 0.00 C +ATOM 42 CA SER A 42 243.178 252.207 188.180 1.00 0.00 C +ATOM 43 CA SER A 43 245.377 255.044 189.458 1.00 0.00 C +ATOM 44 CA ILE A 44 247.847 254.685 192.336 1.00 0.00 C +ATOM 45 CA LYS A 45 251.530 254.627 193.313 1.00 0.00 C +ATOM 46 CA ALA A 46 251.887 255.440 197.018 1.00 0.00 C +ATOM 47 CA LEU A 47 251.731 254.800 200.770 1.00 0.00 C +ATOM 48 CA LYS A 48 250.245 254.558 204.270 1.00 0.00 C +ATOM 49 CA GLU A 49 250.673 256.796 207.324 1.00 0.00 C +ATOM 50 CA ARG A 50 247.862 255.785 209.688 1.00 0.00 C +ATOM 51 CA GLY A 51 248.493 257.728 212.904 1.00 0.00 C +ATOM 52 CA GLY A 52 249.913 259.909 215.686 1.00 0.00 C +ATOM 53 CA ARG A 53 248.448 262.235 218.325 1.00 0.00 C +ATOM 54 CA ARG A 54 248.835 266.011 217.998 1.00 0.00 C +ATOM 55 CA ARG A 55 247.929 269.705 218.227 1.00 0.00 C +ATOM 56 CA GLU A 56 250.996 271.915 218.704 1.00 0.00 C +ATOM 57 CA ALA A 57 253.489 274.710 219.401 1.00 0.00 C +ATOM 58 CA LEU A 58 255.741 277.679 218.609 1.00 0.00 C +ATOM 59 CA ALA A 59 257.189 281.068 219.577 1.00 0.00 C +ATOM 60 CA LEU A 60 256.936 284.283 221.606 1.00 0.00 C +ATOM 61 CA HIS A 61 259.363 285.745 224.153 1.00 0.00 C +ATOM 62 CA GLN A 62 259.469 283.517 227.243 1.00 0.00 C +ATOM 63 CA GLU A 63 260.883 282.770 230.701 1.00 0.00 C +ATOM 64 CA VAL A 64 263.089 282.149 233.745 1.00 0.00 C +ATOM 65 CA PRO A 65 262.401 284.404 236.738 1.00 0.00 C +ATOM 66 CA GLU A 66 264.839 286.250 239.011 1.00 0.00 C +ATOM 67 CA GLY A 67 267.575 288.850 238.495 1.00 0.00 C +ATOM 68 CA GLY A 68 266.367 292.426 239.014 1.00 0.00 C +ATOM 69 CA ARG A 69 265.308 294.494 235.994 1.00 0.00 C +ATOM 70 CA ARG A 70 262.931 292.469 233.811 1.00 0.00 C +ATOM 71 CA ARG A 71 261.872 289.736 231.378 1.00 0.00 C +ATOM 72 CA ARG A 72 258.110 289.146 231.265 1.00 0.00 C +ATOM 73 CA PRO A 73 254.819 290.950 231.920 1.00 0.00 C +ATOM 74 CA ALA A 74 251.640 292.562 230.573 1.00 0.00 C +ATOM 75 CA ARG A 75 249.837 290.262 228.129 1.00 0.00 C +ATOM 76 CA PRO A 76 248.725 286.911 229.560 1.00 0.00 C +ATOM 77 CA ASP A 77 249.520 286.223 233.222 1.00 0.00 C +ATOM 78 CA GLN A 78 252.391 283.824 233.941 1.00 0.00 C +ATOM 79 CA GLY A 79 251.236 280.210 233.588 1.00 0.00 C +ATOM 80 CA GLN A 80 253.451 277.392 232.297 1.00 0.00 C +ATOM 81 CA GLY A 81 254.969 273.909 232.578 1.00 0.00 C +ATOM 82 CA ARG A 82 252.775 270.802 232.347 1.00 0.00 C +ATOM 83 CA LEU A 83 253.588 267.802 230.143 1.00 0.00 C +ATOM 84 CA ARG A 84 251.619 266.932 226.999 1.00 0.00 C +ATOM 85 CA LEU A 85 249.305 267.037 223.975 1.00 0.00 C +ATOM 86 CA LEU A 86 246.530 264.445 224.278 1.00 0.00 C +ATOM 87 CA GLN A 87 243.856 261.740 224.513 1.00 0.00 C +ATOM 88 CA ALA A 88 241.551 260.882 227.423 1.00 0.00 C +ATOM 89 CA ARG A 89 240.734 262.319 230.855 1.00 0.00 C +ATOM 90 CA HIS A 90 242.606 260.273 233.468 1.00 0.00 C +ATOM 91 CA GLN A 91 243.542 257.143 235.427 1.00 0.00 C +ATOM 92 CA GLY A 92 245.132 253.688 235.198 1.00 0.00 C +ATOM 93 CA GLN A 93 242.209 251.268 235.548 1.00 0.00 C +ATOM 94 CA GLY A 94 240.140 248.228 234.554 1.00 0.00 C +ATOM 95 CA ARG A 95 241.061 244.545 234.234 1.00 0.00 C +ATOM 96 CA ALA A 96 238.858 241.437 234.156 1.00 0.00 C +ATOM 97 CA GLY A 97 240.905 238.601 235.667 1.00 0.00 C +ATOM 98 CA ARG A 98 240.972 236.484 238.835 1.00 0.00 C +ATOM 99 CA GLN A 99 240.143 234.782 242.141 1.00 0.00 C +ATOM 100 CA GLU A 100 241.336 231.164 242.198 1.00 0.00 C +ATOM 101 CA GLY A 101 240.855 228.629 245.001 1.00 0.00 C +ATOM 102 CA GLU A 102 242.018 229.783 248.440 1.00 0.00 C +ATOM 103 CA GLU A 103 243.836 232.009 250.942 1.00 0.00 C +ATOM 104 CA ALA A 104 243.560 234.690 253.635 1.00 0.00 C +ATOM 105 CA ARG A 105 243.412 235.608 257.330 1.00 0.00 C +ATOM 106 CA CYS A 106 243.974 233.639 260.542 1.00 0.00 C +ATOM 107 CA ARG A 107 243.937 235.687 263.755 1.00 0.00 C +ATOM 108 CA GLU A 108 244.808 239.346 263.150 1.00 0.00 C +ATOM 109 CA GLU A 109 241.596 240.895 261.807 1.00 0.00 C +ATOM 110 CA ALA A 110 238.372 240.896 259.778 1.00 0.00 C +ATOM 111 CA GLN A 111 236.131 239.903 256.861 1.00 0.00 C +ATOM 112 CA GLY A 112 234.335 237.470 254.543 1.00 0.00 C +ATOM 113 CA ARG A 113 232.623 234.185 255.433 1.00 0.00 C +ATOM 114 CA ARG A 114 234.162 232.072 258.205 1.00 0.00 C +ATOM 115 CA GLN A 115 231.466 229.803 259.655 1.00 0.00 C +ATOM 116 CA ARG A 116 231.343 226.315 258.128 1.00 0.00 C +ATOM 117 CA GLU A 117 230.782 222.671 259.086 1.00 0.00 C +ATOM 118 CA GLU A 118 231.654 219.167 257.869 1.00 0.00 C +ATOM 119 CA GLY A 119 235.324 218.269 258.356 1.00 0.00 C +ATOM 120 CA GLN A 120 238.462 218.507 260.504 1.00 0.00 C +ATOM 121 CA ALA A 121 237.545 221.012 263.224 1.00 0.00 C +ATOM 122 CA ARG A 122 234.983 222.680 265.498 1.00 0.00 C +ATOM 123 CA GLN A 123 235.107 225.855 267.601 1.00 0.00 C +ATOM 124 CA GLU A 124 231.491 226.417 268.663 1.00 0.00 C +ATOM 125 CA ALA A 125 227.685 226.574 268.759 1.00 0.00 C +ATOM 126 CA LEU A 126 225.078 229.299 269.301 1.00 0.00 C +ATOM 127 CA GLY A 127 223.569 232.056 267.148 1.00 0.00 C +ATOM 128 CA ARG A 128 222.074 234.788 264.953 1.00 0.00 C +ATOM 129 CA ARG A 129 220.559 237.524 262.776 1.00 0.00 C +ATOM 130 CA GLN A 130 218.770 237.175 259.431 1.00 0.00 C +ATOM 131 CA GLU A 131 215.353 237.288 257.749 1.00 0.00 C +ATOM 132 CA GLY A 132 213.058 234.884 259.613 1.00 0.00 C +ATOM 133 CA ARG A 133 211.819 231.863 261.575 1.00 0.00 C +ATOM 134 CA CYS A 134 212.182 229.489 264.533 1.00 0.00 C +ATOM 135 CA ARG A 135 212.306 230.441 268.220 1.00 0.00 C +ATOM 136 CA GLN A 136 212.417 233.721 270.156 1.00 0.00 C +ATOM 137 CA GLU A 137 212.947 237.383 271.063 1.00 0.00 C +ATOM 138 CA ALA A 138 215.546 240.022 270.168 1.00 0.00 C +ATOM 139 CA ASP A 139 217.765 243.118 270.105 1.00 0.00 C +ATOM 140 CA PRO A 140 221.025 244.700 268.927 1.00 0.00 C +ATOM 141 CA ARG A 141 223.680 246.514 266.884 1.00 0.00 C +ATOM 142 CA GLY A 142 226.859 248.206 268.129 1.00 0.00 C +ATOM 143 CA ARG A 143 229.935 245.959 268.100 1.00 0.00 C +ATOM 144 CA GLN A 144 233.470 246.089 266.684 1.00 0.00 C +ATOM 145 CA GLU A 145 236.625 247.147 268.540 1.00 0.00 C +ATOM 146 CA ALA A 146 235.654 247.094 272.224 1.00 0.00 C +ATOM 147 CA SER A 147 236.785 250.299 273.946 1.00 0.00 C +ATOM 148 CA ARG A 148 236.402 253.207 276.377 1.00 0.00 C +ATOM 149 CA ARG A 149 238.806 255.640 278.055 1.00 0.00 C +ATOM 150 CA GLU A 150 242.099 255.352 276.162 1.00 0.00 C +ATOM 151 CA GLU A 151 243.932 252.312 277.546 1.00 0.00 C +ATOM 152 CA ALA A 152 243.832 248.612 278.448 1.00 0.00 C +ATOM 153 CA GLN A 153 243.418 246.530 281.612 1.00 0.00 C +ATOM 154 CA GLY A 154 246.214 245.894 284.121 1.00 0.00 C +ATOM 155 CA GLY A 155 247.871 242.888 285.773 1.00 0.00 C +ATOM 156 CA SER A 156 248.881 243.353 289.417 1.00 0.00 C +ATOM 157 CA ARG A 157 250.062 246.662 290.890 1.00 0.00 C +ATOM 158 CA PRO A 158 252.547 248.829 292.801 1.00 0.00 C +ATOM 159 CA GLN A 159 251.853 251.792 295.093 1.00 0.00 C +ATOM 160 CA GLU A 160 254.718 254.295 295.295 1.00 0.00 C +ATOM 161 CA GLY A 161 254.836 257.964 296.317 1.00 0.00 C +ATOM 162 CA GLN A 162 253.589 260.733 298.618 1.00 0.00 C +ATOM 163 CA VAL A 163 255.477 264.033 298.856 1.00 0.00 C +ATOM 164 CA SER A 164 257.997 263.630 301.686 1.00 0.00 C +ATOM 165 CA GLN A 165 260.719 265.904 303.078 1.00 0.00 C +ATOM 166 CA GLN A 166 263.439 267.555 305.173 1.00 0.00 C +ATOM 167 CA GLY A 167 262.648 271.241 305.724 1.00 0.00 C +ATOM 168 CA GLU A 168 263.030 275.027 305.550 1.00 0.00 C +ATOM 169 CA GLU A 169 259.907 276.911 306.652 1.00 0.00 C +ATOM 170 CA GLY A 170 256.155 277.426 307.069 1.00 0.00 C +ATOM 171 CA ASP A 171 254.059 280.469 307.997 1.00 0.00 C +ATOM 172 CA GLN A 172 252.984 281.745 311.422 1.00 0.00 C +ATOM 173 CA GLY A 173 254.806 281.068 314.699 1.00 0.00 C +ATOM 174 CA PRO A 174 256.409 280.108 318.019 1.00 0.00 C +ATOM 175 CA GLY A 175 260.176 279.546 318.115 1.00 0.00 C +ATOM 176 CA ARG A 176 260.678 276.028 316.740 1.00 0.00 C +ATOM 177 CA GLN A 177 260.343 273.472 313.935 1.00 0.00 C +ATOM 178 CA GLU A 178 258.697 270.086 314.518 1.00 0.00 C +ATOM 179 CA ALA A 179 259.952 266.865 312.915 1.00 0.00 C +ATOM 180 CA GLN A 180 263.732 266.448 313.153 1.00 0.00 C +ATOM 181 CA GLY A 181 267.301 265.155 313.484 1.00 0.00 C +ATOM 182 CA ALA A 182 269.345 268.152 314.650 1.00 0.00 C +ATOM 183 CA GLN A 183 272.250 269.544 316.683 1.00 0.00 C +ATOM 184 CA ALA A 184 272.400 267.396 319.826 1.00 0.00 C +ATOM 185 CA GLN A 185 273.837 263.888 320.204 1.00 0.00 C +ATOM 186 CA GLU A 186 276.219 261.971 317.930 1.00 0.00 C +ATOM 187 CA GLY A 187 278.580 259.083 317.154 1.00 0.00 C +ATOM 188 CA ARG A 188 279.654 256.167 314.949 1.00 0.00 C +ATOM 189 CA PRO A 189 281.400 253.730 312.599 1.00 0.00 C +ATOM 190 CA ARG A 190 280.366 254.578 309.031 1.00 0.00 C +ATOM 191 CA GLN A 191 282.275 255.219 305.797 1.00 0.00 C +ATOM 192 CA ALA A 192 284.803 252.846 304.217 1.00 0.00 C +ATOM 193 CA GLU A 193 287.305 251.383 301.745 1.00 0.00 C +ATOM 194 CA GLY A 194 290.624 250.175 303.173 1.00 0.00 C +ATOM 195 CA SER A 195 293.665 251.088 305.279 1.00 0.00 C +ATOM 196 CA GLN A 196 295.445 248.692 307.647 1.00 0.00 C +ATOM 197 CA GLU A 197 296.086 248.848 311.399 1.00 0.00 C +ATOM 198 CA GLY A 198 298.039 248.995 314.667 1.00 0.00 C +ATOM 199 CA ARG A 199 296.885 245.965 316.668 1.00 0.00 C +ATOM 200 CA PRO A 200 293.247 245.746 317.778 1.00 0.00 C +ATOM 201 CA ARG A 201 292.362 242.793 320.016 1.00 0.00 C +ATOM 202 CA GLN A 202 288.662 242.697 320.920 1.00 0.00 C +ATOM 203 CA GLU A 203 287.454 245.102 323.617 1.00 0.00 C +ATOM 204 CA GLU A 204 289.402 246.333 326.651 1.00 0.00 C +ATOM 205 CA VAL A 205 287.576 245.180 329.791 1.00 0.00 C +ATOM 206 CA LYS A 206 287.489 246.329 333.422 1.00 0.00 C +TER 207 LYS A 206 +END diff --git a/Fungi/A0A2S4UKZ0/A0A2S4UKZ0.dcd b/Fungi/A0A2S4UKZ0/A0A2S4UKZ0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b21d2bef3208b508750be2f3db4c2b10d6c1967e --- /dev/null +++ b/Fungi/A0A2S4UKZ0/A0A2S4UKZ0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:12bcf1c98ab8e869534f1fb146c35c6add48c5c6be1a44a568470ee32347767b +size 15200276 diff --git a/Fungi/A0A2S4UKZ0/top.pdb b/Fungi/A0A2S4UKZ0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5d68c63e2cbf0f006fe4160db89e9572ea5d8a76 --- /dev/null +++ b/Fungi/A0A2S4UKZ0/top.pdb @@ -0,0 +1,124 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 219.216 303.840 227.503 1.00 0.00 C +ATOM 2 CA THR A 2 218.262 305.054 224.020 1.00 0.00 C +ATOM 3 CA ALA A 3 219.378 302.350 221.579 1.00 0.00 C +ATOM 4 CA ALA A 4 222.585 300.293 221.583 1.00 0.00 C +ATOM 5 CA GLY A 5 221.871 297.072 223.488 1.00 0.00 C +ATOM 6 CA LEU A 6 222.289 296.244 227.184 1.00 0.00 C +ATOM 7 CA GLY A 7 221.797 296.075 230.958 1.00 0.00 C +ATOM 8 CA GLY A 8 224.595 297.173 233.300 1.00 0.00 C +ATOM 9 CA SER A 9 224.140 296.005 236.898 1.00 0.00 C +ATOM 10 CA THR A 10 222.065 298.455 238.949 1.00 0.00 C +ATOM 11 CA HIS A 11 220.728 297.950 242.481 1.00 0.00 C +ATOM 12 CA GLN A 12 222.136 300.367 245.068 1.00 0.00 C +ATOM 13 CA ASN A 13 225.239 302.524 245.555 1.00 0.00 C +ATOM 14 CA ARG A 14 226.974 302.608 248.946 1.00 0.00 C +ATOM 15 CA PRO A 15 229.411 305.517 249.288 1.00 0.00 C +ATOM 16 CA ASP A 16 231.532 307.522 246.840 1.00 0.00 C +ATOM 17 CA GLN A 17 234.588 309.661 247.618 1.00 0.00 C +ATOM 18 CA GLN A 18 237.065 312.314 248.775 1.00 0.00 C +ATOM 19 CA SER A 19 239.987 310.736 250.643 1.00 0.00 C +ATOM 20 CA PRO A 20 240.176 306.930 250.631 1.00 0.00 C +ATOM 21 CA PRO A 21 241.275 305.714 247.191 1.00 0.00 C +ATOM 22 CA GLY A 22 243.030 305.935 243.817 1.00 0.00 C +ATOM 23 CA GLY A 23 244.178 303.026 241.641 1.00 0.00 C +ATOM 24 CA PRO A 24 247.279 301.483 243.228 1.00 0.00 C +ATOM 25 CA PRO A 25 247.898 299.693 246.534 1.00 0.00 C +ATOM 26 CA SER A 26 247.262 296.579 248.635 1.00 0.00 C +ATOM 27 CA ASP A 27 243.990 294.753 249.324 1.00 0.00 C +ATOM 28 CA ILE A 28 242.062 292.986 252.094 1.00 0.00 C +ATOM 29 CA ASP A 29 244.282 293.377 255.166 1.00 0.00 C +ATOM 30 CA ILE A 30 248.064 293.483 254.722 1.00 0.00 C +ATOM 31 CA GLU A 31 251.220 294.339 256.677 1.00 0.00 C +ATOM 32 CA ASP A 32 253.897 292.521 258.689 1.00 0.00 C +ATOM 33 CA ASN A 33 257.634 292.393 259.419 1.00 0.00 C +ATOM 34 CA TYR A 34 259.048 288.863 259.185 1.00 0.00 C +ATOM 35 CA ILE A 35 257.124 285.618 258.656 1.00 0.00 C +ATOM 36 CA PRO A 36 254.884 282.588 259.221 1.00 0.00 C +ATOM 37 CA ALA A 37 254.646 279.610 256.857 1.00 0.00 C +ATOM 38 CA GLU A 38 251.111 279.166 255.507 1.00 0.00 C +ATOM 39 CA GLN A 39 249.480 279.309 252.067 1.00 0.00 C +ATOM 40 CA ASP A 40 246.385 278.585 249.966 1.00 0.00 C +ATOM 41 CA ASP A 41 243.751 278.194 247.241 1.00 0.00 C +ATOM 42 CA GLU A 42 243.297 276.686 243.772 1.00 0.00 C +ATOM 43 CA SER A 43 243.845 272.916 243.797 1.00 0.00 C +ATOM 44 CA LEU A 44 247.451 271.946 243.040 1.00 0.00 C +ATOM 45 CA SER A 45 249.534 274.649 244.733 1.00 0.00 C +ATOM 46 CA GLU A 46 253.285 274.341 245.327 1.00 0.00 C +ATOM 47 CA GLU A 47 255.624 274.182 248.330 1.00 0.00 C +ATOM 48 CA ASP A 48 256.402 277.172 250.560 1.00 0.00 C +ATOM 49 CA ASP A 49 259.629 277.307 252.579 1.00 0.00 C +ATOM 50 CA ASP A 50 263.050 277.078 250.916 1.00 0.00 C +ATOM 51 CA GLN A 51 265.299 274.752 248.906 1.00 0.00 C +ATOM 52 CA GLY A 52 264.993 272.207 246.087 1.00 0.00 C +ATOM 53 CA ILE A 53 267.427 271.109 243.370 1.00 0.00 C +ATOM 54 CA ASP A 54 269.633 268.007 243.203 1.00 0.00 C +ATOM 55 CA PRO A 55 271.982 266.182 240.824 1.00 0.00 C +ATOM 56 CA GLY A 56 275.673 265.998 239.893 1.00 0.00 C +ATOM 57 CA GLN A 57 279.263 265.333 238.806 1.00 0.00 C +ATOM 58 CA PHE A 58 282.129 262.829 238.621 1.00 0.00 C +ATOM 59 CA GLY A 59 284.705 262.021 241.309 1.00 0.00 C +ATOM 60 CA TYR A 60 285.820 259.717 244.131 1.00 0.00 C +ATOM 61 CA ARG A 61 288.401 257.485 245.828 1.00 0.00 C +ATOM 62 CA PRO A 62 290.065 254.104 246.386 1.00 0.00 C +ATOM 63 CA ASP A 63 289.790 250.756 244.587 1.00 0.00 C +ATOM 64 CA GLU A 64 288.818 247.193 245.522 1.00 0.00 C +ATOM 65 CA SER A 65 286.689 245.474 248.173 1.00 0.00 C +ATOM 66 CA ASP A 66 285.390 241.922 247.717 1.00 0.00 C +ATOM 67 CA SER A 67 284.740 240.752 244.150 1.00 0.00 C +ATOM 68 CA GLU A 68 283.463 237.202 243.616 1.00 0.00 C +ATOM 69 CA SER A 69 283.988 235.259 246.851 1.00 0.00 C +ATOM 70 CA ASP A 70 284.677 234.186 250.441 1.00 0.00 C +ATOM 71 CA GLY A 71 282.656 231.430 252.127 1.00 0.00 C +ATOM 72 CA ARG A 72 278.888 231.418 251.565 1.00 0.00 C +ATOM 73 CA SER A 73 276.259 233.423 249.671 1.00 0.00 C +ATOM 74 CA ASP A 74 272.976 231.503 249.445 1.00 0.00 C +ATOM 75 CA GLU A 75 270.763 230.324 252.314 1.00 0.00 C +ATOM 76 CA GLU A 76 271.457 228.210 255.407 1.00 0.00 C +ATOM 77 CA ASP A 77 272.395 225.704 258.119 1.00 0.00 C +ATOM 78 CA TRP A 78 270.305 222.519 258.164 1.00 0.00 C +ATOM 79 CA SER A 79 269.232 218.960 257.326 1.00 0.00 C +ATOM 80 CA TRP A 80 268.542 215.941 255.108 1.00 0.00 C +ATOM 81 CA SER A 81 265.098 214.432 255.723 1.00 0.00 C +ATOM 82 CA GLY A 82 262.486 217.074 256.571 1.00 0.00 C +ATOM 83 CA GLU A 83 262.498 220.219 258.721 1.00 0.00 C +ATOM 84 CA GLN A 84 260.293 220.241 261.827 1.00 0.00 C +ATOM 85 CA THR A 85 258.228 220.034 265.023 1.00 0.00 C +ATOM 86 CA LEU A 86 254.913 218.224 264.526 1.00 0.00 C +ATOM 87 CA GLY A 87 252.009 220.124 262.953 1.00 0.00 C +ATOM 88 CA GLU A 88 253.166 222.090 259.902 1.00 0.00 C +ATOM 89 CA ASP A 89 252.908 220.244 256.579 1.00 0.00 C +ATOM 90 CA PHE A 90 251.537 216.713 256.167 1.00 0.00 C +ATOM 91 CA GLU A 91 250.883 213.082 257.117 1.00 0.00 C +ATOM 92 CA PRO A 92 247.955 211.793 255.048 1.00 0.00 C +ATOM 93 CA ASN A 93 244.154 212.043 255.125 1.00 0.00 C +ATOM 94 CA GLU A 94 240.775 212.624 253.464 1.00 0.00 C +ATOM 95 CA GLN A 95 238.760 209.396 253.639 1.00 0.00 C +ATOM 96 CA ASP A 96 240.167 206.790 256.036 1.00 0.00 C +ATOM 97 CA ILE A 97 243.526 205.095 255.439 1.00 0.00 C +ATOM 98 CA PRO A 98 246.501 202.813 254.759 1.00 0.00 C +ATOM 99 CA THR A 99 246.973 199.787 257.025 1.00 0.00 C +ATOM 100 CA THR A 100 246.962 196.445 258.854 1.00 0.00 C +ATOM 101 CA GLY A 101 244.412 193.901 260.096 1.00 0.00 C +ATOM 102 CA SER A 102 243.330 190.352 259.229 1.00 0.00 C +ATOM 103 CA THR A 103 242.901 189.020 255.685 1.00 0.00 C +ATOM 104 CA SER A 104 239.505 189.987 254.254 1.00 0.00 C +ATOM 105 CA ARG A 105 238.836 193.664 254.994 1.00 0.00 C +ATOM 106 CA PRO A 106 236.090 195.757 256.605 1.00 0.00 C +ATOM 107 CA GLN A 107 233.720 197.180 259.227 1.00 0.00 C +ATOM 108 CA ARG A 108 230.930 198.152 261.632 1.00 0.00 C +ATOM 109 CA THR A 109 230.290 196.030 264.730 1.00 0.00 C +ATOM 110 CA ARG A 110 228.886 192.758 263.374 1.00 0.00 C +ATOM 111 CA ARG A 111 227.432 190.151 261.006 1.00 0.00 C +ATOM 112 CA VAL A 112 225.772 187.402 258.956 1.00 0.00 C +ATOM 113 CA PRO A 113 226.833 184.962 256.229 1.00 0.00 C +ATOM 114 CA ALA A 114 225.170 181.697 255.184 1.00 0.00 C +ATOM 115 CA ILE A 115 226.267 178.090 254.635 1.00 0.00 C +ATOM 116 CA ASN A 116 226.403 174.451 253.513 1.00 0.00 C +ATOM 117 CA MET A 117 223.410 172.165 254.085 1.00 0.00 C +ATOM 118 CA VAL A 118 220.084 170.439 254.772 1.00 0.00 C +ATOM 119 CA ASP A 119 218.479 170.024 251.341 1.00 0.00 C +ATOM 120 CA SER A 120 220.391 169.453 248.096 1.00 0.00 C +TER 121 SER A 120 +END diff --git a/Fungi/A0A2T3AXV3/A0A2T3AXV3.dcd b/Fungi/A0A2T3AXV3/A0A2T3AXV3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..95cadcfc97849c979fc5e61008b6b601e0c1d6ad --- /dev/null +++ b/Fungi/A0A2T3AXV3/A0A2T3AXV3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0914ea24ad43475804b605cf1f1698f2f8e412cab1c8174a0baf4b21be510e32 +size 15080276 diff --git a/Fungi/A0A2T3AXV3/top.pdb b/Fungi/A0A2T3AXV3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c08f0601efd515e9e0abf1336c279d9c8ec794ff --- /dev/null +++ b/Fungi/A0A2T3AXV3/top.pdb @@ -0,0 +1,123 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 255.883 232.088 257.956 1.00 0.00 C +ATOM 2 CA GLY A 2 252.867 232.793 255.737 1.00 0.00 C +ATOM 3 CA LEU A 3 249.137 232.265 255.171 1.00 0.00 C +ATOM 4 CA PHE A 4 247.606 235.723 255.635 1.00 0.00 C +ATOM 5 CA LYS A 5 249.407 237.367 258.563 1.00 0.00 C +ATOM 6 CA SER A 6 250.669 240.869 257.753 1.00 0.00 C +ATOM 7 CA ARG A 7 254.168 240.964 259.259 1.00 0.00 C +ATOM 8 CA SER A 8 257.608 239.608 260.178 1.00 0.00 C +ATOM 9 CA SER A 9 260.094 242.174 258.854 1.00 0.00 C +ATOM 10 CA ALA A 10 263.531 243.785 259.184 1.00 0.00 C +ATOM 11 CA ALA A 11 265.959 242.390 256.600 1.00 0.00 C +ATOM 12 CA LYS A 12 269.367 240.891 255.789 1.00 0.00 C +ATOM 13 CA SER A 13 273.103 240.618 256.484 1.00 0.00 C +ATOM 14 CA SER A 14 276.116 238.419 257.258 1.00 0.00 C +ATOM 15 CA GLN A 15 278.516 235.679 256.139 1.00 0.00 C +ATOM 16 CA SER A 16 281.555 234.707 258.220 1.00 0.00 C +ATOM 17 CA ALA A 17 283.284 236.255 261.242 1.00 0.00 C +ATOM 18 CA ALA A 18 286.438 237.271 263.122 1.00 0.00 C +ATOM 19 CA GLY A 19 286.548 241.066 263.442 1.00 0.00 C +ATOM 20 CA ALA A 20 288.611 244.257 263.715 1.00 0.00 C +ATOM 21 CA HIS A 21 290.069 246.792 261.273 1.00 0.00 C +ATOM 22 CA GLU A 22 293.399 248.414 260.382 1.00 0.00 C +ATOM 23 CA GLN A 23 295.460 245.727 258.636 1.00 0.00 C +ATOM 24 CA LEU A 24 294.317 243.322 255.911 1.00 0.00 C +ATOM 25 CA THR A 25 294.045 241.533 252.558 1.00 0.00 C +ATOM 26 CA LYS A 26 293.094 243.998 249.813 1.00 0.00 C +ATOM 27 CA TYR A 27 292.755 243.945 246.018 1.00 0.00 C +ATOM 28 CA PRO A 28 292.051 240.450 244.676 1.00 0.00 C +ATOM 29 CA ASN A 29 293.539 237.675 246.820 1.00 0.00 C +ATOM 30 CA THR A 30 291.986 234.197 246.905 1.00 0.00 C +ATOM 31 CA SER A 31 288.884 233.218 248.889 1.00 0.00 C +ATOM 32 CA THR A 32 285.386 234.056 250.143 1.00 0.00 C +ATOM 33 CA SER A 33 284.642 231.650 253.002 1.00 0.00 C +ATOM 34 CA ASN A 34 283.932 227.911 252.828 1.00 0.00 C +ATOM 35 CA LEU A 35 283.996 225.441 249.928 1.00 0.00 C +ATOM 36 CA SER A 36 284.999 226.115 246.315 1.00 0.00 C +ATOM 37 CA THR A 37 285.634 228.973 243.876 1.00 0.00 C +ATOM 38 CA THR A 38 287.625 231.479 241.810 1.00 0.00 C +ATOM 39 CA SER A 39 290.196 233.502 239.857 1.00 0.00 C +ATOM 40 CA THR A 40 292.729 234.877 237.365 1.00 0.00 C +ATOM 41 CA LEU A 41 292.105 236.188 233.842 1.00 0.00 C +ATOM 42 CA LEU A 42 289.973 235.513 230.758 1.00 0.00 C +ATOM 43 CA GLU A 43 286.397 234.879 229.607 1.00 0.00 C +ATOM 44 CA SER A 44 283.107 233.901 227.953 1.00 0.00 C +ATOM 45 CA PRO A 45 280.898 232.639 225.117 1.00 0.00 C +ATOM 46 CA THR A 46 277.193 233.523 225.238 1.00 0.00 C +ATOM 47 CA LYS A 47 274.450 236.072 224.538 1.00 0.00 C +ATOM 48 CA LYS A 48 271.355 237.269 226.410 1.00 0.00 C +ATOM 49 CA GLN A 49 268.960 238.128 229.247 1.00 0.00 C +ATOM 50 CA VAL A 50 269.334 237.119 232.902 1.00 0.00 C +ATOM 51 CA ARG A 51 268.808 236.577 236.636 1.00 0.00 C +ATOM 52 CA ARG A 52 266.862 236.167 239.886 1.00 0.00 C +ATOM 53 CA ARG A 53 264.504 239.158 239.988 1.00 0.00 C +ATOM 54 CA THR A 54 261.880 239.120 237.226 1.00 0.00 C +ATOM 55 CA SER A 55 260.854 238.073 233.709 1.00 0.00 C +ATOM 56 CA TYR A 56 259.095 240.684 231.564 1.00 0.00 C +ATOM 57 CA GLU A 57 255.609 242.220 231.528 1.00 0.00 C +ATOM 58 CA GLU A 58 254.730 244.837 234.154 1.00 0.00 C +ATOM 59 CA PHE A 59 254.808 248.487 233.063 1.00 0.00 C +ATOM 60 CA LEU A 60 257.113 251.481 232.575 1.00 0.00 C +ATOM 61 CA ALA A 61 257.934 254.304 234.998 1.00 0.00 C +ATOM 62 CA GLN A 62 257.965 255.599 238.581 1.00 0.00 C +ATOM 63 CA ALA A 63 259.383 258.494 240.612 1.00 0.00 C +ATOM 64 CA GLN A 64 258.553 262.160 241.237 1.00 0.00 C +ATOM 65 CA GLU A 65 255.398 264.037 242.259 1.00 0.00 C +ATOM 66 CA LYS A 66 252.215 262.666 240.676 1.00 0.00 C +ATOM 67 CA GLU A 67 249.750 260.934 238.344 1.00 0.00 C +ATOM 68 CA GLU A 68 245.990 260.890 238.958 1.00 0.00 C +ATOM 69 CA ARG A 69 243.817 257.982 240.114 1.00 0.00 C +ATOM 70 CA ARG A 70 241.615 257.853 243.220 1.00 0.00 C +ATOM 71 CA GLN A 71 238.704 258.873 245.457 1.00 0.00 C +ATOM 72 CA ARG A 72 237.840 261.270 248.289 1.00 0.00 C +ATOM 73 CA GLN A 73 236.744 264.766 247.244 1.00 0.00 C +ATOM 74 CA GLN A 74 236.572 268.535 247.772 1.00 0.00 C +ATOM 75 CA ARG A 75 235.877 272.204 248.533 1.00 0.00 C +ATOM 76 CA ALA A 76 233.452 274.792 249.923 1.00 0.00 C +ATOM 77 CA TRP A 77 231.599 273.826 253.109 1.00 0.00 C +ATOM 78 CA ILE A 78 234.066 272.915 255.866 1.00 0.00 C +ATOM 79 CA GLU A 79 236.456 269.986 255.395 1.00 0.00 C +ATOM 80 CA ALA A 80 236.849 267.521 258.273 1.00 0.00 C +ATOM 81 CA GLU A 81 234.182 264.885 257.600 1.00 0.00 C +ATOM 82 CA LYS A 82 235.090 263.247 254.282 1.00 0.00 C +ATOM 83 CA ARG A 83 231.762 262.449 252.608 1.00 0.00 C +ATOM 84 CA ARG A 84 229.515 262.102 249.550 1.00 0.00 C +ATOM 85 CA MET A 85 227.863 265.237 248.151 1.00 0.00 C +ATOM 86 CA GLY A 86 227.349 267.611 251.087 1.00 0.00 C +ATOM 87 CA ASN A 87 224.454 268.446 253.418 1.00 0.00 C +ATOM 88 CA SER A 88 224.648 268.333 257.221 1.00 0.00 C +ATOM 89 CA THR A 89 224.273 270.183 260.531 1.00 0.00 C +ATOM 90 CA ASP A 90 221.359 270.109 262.984 1.00 0.00 C +ATOM 91 CA PRO A 91 219.558 269.308 266.245 1.00 0.00 C +ATOM 92 CA TRP A 92 217.194 267.258 268.418 1.00 0.00 C +ATOM 93 CA ARG A 93 213.414 267.084 268.860 1.00 0.00 C +ATOM 94 CA GLY A 94 211.491 266.111 272.002 1.00 0.00 C +ATOM 95 CA GLY A 95 207.705 266.283 271.616 1.00 0.00 C +ATOM 96 CA PHE A 96 205.781 269.105 273.305 1.00 0.00 C +ATOM 97 CA GLY A 97 202.102 268.127 273.457 1.00 0.00 C +ATOM 98 CA PRO A 98 201.152 264.525 272.654 1.00 0.00 C +ATOM 99 CA PRO A 99 200.878 262.184 269.660 1.00 0.00 C +ATOM 100 CA ALA A 100 203.167 262.266 266.616 1.00 0.00 C +ATOM 101 CA PRO A 101 201.719 261.807 263.122 1.00 0.00 C +ATOM 102 CA VAL A 102 198.656 261.387 260.894 1.00 0.00 C +ATOM 103 CA LYS A 103 196.127 262.083 258.131 1.00 0.00 C +ATOM 104 CA GLN A 104 194.233 260.952 255.024 1.00 0.00 C +ATOM 105 CA ARG A 105 195.053 259.573 251.568 1.00 0.00 C +ATOM 106 CA ASP A 106 197.426 257.159 249.821 1.00 0.00 C +ATOM 107 CA VAL A 107 200.046 254.414 249.475 1.00 0.00 C +ATOM 108 CA GLY A 108 203.839 254.165 249.211 1.00 0.00 C +ATOM 109 CA ASP A 109 206.841 254.973 247.008 1.00 0.00 C +ATOM 110 CA TRP A 110 208.771 258.194 246.369 1.00 0.00 C +ATOM 111 CA LEU A 111 211.894 259.405 248.186 1.00 0.00 C +ATOM 112 CA LYS A 112 215.331 258.121 247.159 1.00 0.00 C +ATOM 113 CA ASP A 113 218.769 256.645 246.440 1.00 0.00 C +ATOM 114 CA ASN A 114 220.071 254.457 249.274 1.00 0.00 C +ATOM 115 CA GLY A 115 222.906 251.934 249.611 1.00 0.00 C +ATOM 116 CA LEU A 116 222.179 249.943 252.777 1.00 0.00 C +ATOM 117 CA SER A 117 222.603 249.194 256.489 1.00 0.00 C +ATOM 118 CA GLY A 118 223.011 252.562 258.223 1.00 0.00 C +ATOM 119 CA ARG A 119 219.569 254.074 258.843 1.00 0.00 C +TER 120 ARG A 119 +END diff --git a/Fungi/A0A2T3ZNM9/A0A2T3ZNM9.dcd b/Fungi/A0A2T3ZNM9/A0A2T3ZNM9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..dc9954d15ecdfd251c2c54eb790f48532f62ea70 --- /dev/null +++ b/Fungi/A0A2T3ZNM9/A0A2T3ZNM9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e4e66fdc220f7fb73401f5d8b5abf0a1480d4d416309cd0e71d06f6c937e31cf +size 20240276 diff --git a/Fungi/A0A2T3ZNM9/top.pdb b/Fungi/A0A2T3ZNM9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1a76879e0102439e0a5cbdfdd90ff44ba138fe5e --- /dev/null +++ b/Fungi/A0A2T3ZNM9/top.pdb @@ -0,0 +1,166 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 235.737 236.920 302.483 1.00 0.00 C +ATOM 2 CA PRO A 2 237.497 233.571 302.030 1.00 0.00 C +ATOM 3 CA GLN A 3 239.451 231.364 299.616 1.00 0.00 C +ATOM 4 CA GLU A 4 241.119 232.370 296.342 1.00 0.00 C +ATOM 5 CA VAL A 5 242.149 234.713 293.519 1.00 0.00 C +ATOM 6 CA ASP A 6 242.500 238.433 292.773 1.00 0.00 C +ATOM 7 CA THR A 7 243.469 241.866 294.112 1.00 0.00 C +ATOM 8 CA LEU A 8 245.787 244.874 293.800 1.00 0.00 C +ATOM 9 CA SER A 9 247.568 246.615 290.916 1.00 0.00 C +ATOM 10 CA LYS A 10 247.560 245.669 287.226 1.00 0.00 C +ATOM 11 CA VAL A 11 249.511 246.479 284.055 1.00 0.00 C +ATOM 12 CA GLY A 12 247.597 245.202 281.018 1.00 0.00 C +ATOM 13 CA ARG A 13 246.431 247.430 278.155 1.00 0.00 C +ATOM 14 CA GLY A 14 243.725 248.504 275.698 1.00 0.00 C +ATOM 15 CA GLY A 15 240.877 246.839 273.793 1.00 0.00 C +ATOM 16 CA ALA A 16 237.732 247.352 275.882 1.00 0.00 C +ATOM 17 CA GLY A 17 234.308 248.464 274.635 1.00 0.00 C +ATOM 18 CA ASN A 18 231.195 247.705 272.573 1.00 0.00 C +ATOM 19 CA TYR A 19 229.855 246.446 269.236 1.00 0.00 C +ATOM 20 CA VAL A 20 226.756 244.265 268.847 1.00 0.00 C +ATOM 21 CA SER A 21 225.880 242.358 265.667 1.00 0.00 C +ATOM 22 CA SER A 22 222.692 241.319 263.857 1.00 0.00 C +ATOM 23 CA LYS A 23 219.188 242.616 264.601 1.00 0.00 C +ATOM 24 CA GLN A 24 215.590 242.680 265.852 1.00 0.00 C +ATOM 25 CA ALA A 25 213.408 242.625 268.975 1.00 0.00 C +ATOM 26 CA ALA A 26 213.214 245.957 270.813 1.00 0.00 C +ATOM 27 CA GLU A 27 209.580 246.401 271.871 1.00 0.00 C +ATOM 28 CA ALA A 28 207.733 248.119 269.016 1.00 0.00 C +ATOM 29 CA SER A 29 206.367 249.750 265.855 1.00 0.00 C +ATOM 30 CA LYS A 30 204.785 253.213 265.988 1.00 0.00 C +ATOM 31 CA ASP A 31 205.519 255.943 263.434 1.00 0.00 C +ATOM 32 CA LEU A 32 206.644 257.352 260.077 1.00 0.00 C +ATOM 33 CA GLU A 33 208.798 258.172 257.043 1.00 0.00 C +ATOM 34 CA ALA A 34 208.973 256.525 253.612 1.00 0.00 C +ATOM 35 CA GLN A 35 208.188 259.231 251.047 1.00 0.00 C +ATOM 36 CA GLU A 36 210.391 262.332 251.267 1.00 0.00 C +ATOM 37 CA LEU A 37 210.008 264.580 254.319 1.00 0.00 C +ATOM 38 CA ARG A 38 213.202 265.751 256.036 1.00 0.00 C +ATOM 39 CA ALA A 39 215.778 268.154 257.485 1.00 0.00 C +ATOM 40 CA ILE A 40 217.836 270.813 255.693 1.00 0.00 C +ATOM 41 CA SER A 41 220.567 269.219 253.567 1.00 0.00 C +ATOM 42 CA SER A 42 222.741 266.669 255.380 1.00 0.00 C +ATOM 43 CA ALA A 43 225.670 266.475 257.810 1.00 0.00 C +ATOM 44 CA PRO A 44 228.529 264.427 259.276 1.00 0.00 C +ATOM 45 CA SER A 45 230.619 261.880 257.363 1.00 0.00 C +ATOM 46 CA THR A 46 234.293 262.373 258.244 1.00 0.00 C +ATOM 47 CA ALA A 47 237.135 260.412 256.633 1.00 0.00 C +ATOM 48 CA PRO A 48 239.962 262.622 255.351 1.00 0.00 C +ATOM 49 CA SER A 49 242.421 262.729 252.444 1.00 0.00 C +ATOM 50 CA PRO A 50 244.034 264.901 249.761 1.00 0.00 C +ATOM 51 CA GLY A 51 245.277 266.462 246.515 1.00 0.00 C +ATOM 52 CA SER A 52 247.145 266.329 243.198 1.00 0.00 C +ATOM 53 CA ALA A 53 250.571 267.541 242.052 1.00 0.00 C +ATOM 54 CA ARG A 54 253.628 268.916 240.243 1.00 0.00 C +ATOM 55 CA ALA A 55 254.205 268.512 236.498 1.00 0.00 C +ATOM 56 CA GLY A 56 253.513 265.721 233.999 1.00 0.00 C +ATOM 57 CA ARG A 57 252.183 264.465 230.656 1.00 0.00 C +ATOM 58 CA GLY A 58 254.997 262.866 228.648 1.00 0.00 C +ATOM 59 CA GLY A 59 257.561 260.159 227.865 1.00 0.00 C +ATOM 60 CA ALA A 60 258.930 257.519 225.483 1.00 0.00 C +ATOM 61 CA GLY A 61 261.374 255.335 223.540 1.00 0.00 C +ATOM 62 CA ASN A 62 263.846 253.663 225.909 1.00 0.00 C +ATOM 63 CA PHE A 63 265.692 250.883 227.746 1.00 0.00 C +ATOM 64 CA ALA A 64 266.437 251.472 231.435 1.00 0.00 C +ATOM 65 CA ASP A 65 265.321 253.201 234.642 1.00 0.00 C +ATOM 66 CA PRO A 66 266.824 254.969 237.664 1.00 0.00 C +ATOM 67 CA THR A 67 264.644 256.158 240.553 1.00 0.00 C +ATOM 68 CA GLN A 68 262.808 256.819 243.825 1.00 0.00 C +ATOM 69 CA ALA A 69 259.390 256.552 245.487 1.00 0.00 C +ATOM 70 CA ALA A 70 256.329 254.515 244.486 1.00 0.00 C +ATOM 71 CA GLN A 71 253.297 256.819 244.362 1.00 0.00 C +ATOM 72 CA SER A 72 250.972 259.126 242.417 1.00 0.00 C +ATOM 73 CA GLN A 73 248.534 260.587 239.879 1.00 0.00 C +ATOM 74 CA GLY A 74 246.860 258.742 236.997 1.00 0.00 C +ATOM 75 CA GLN A 75 246.891 258.547 233.192 1.00 0.00 C +ATOM 76 CA LEU A 76 249.066 255.994 231.384 1.00 0.00 C +ATOM 77 CA ALA A 77 252.713 254.893 231.313 1.00 0.00 C +ATOM 78 CA ASP A 78 256.025 254.190 233.059 1.00 0.00 C +ATOM 79 CA GLU A 79 257.417 256.972 235.259 1.00 0.00 C +ATOM 80 CA THR A 80 256.488 260.541 236.216 1.00 0.00 C +ATOM 81 CA GLY A 81 259.306 262.687 237.621 1.00 0.00 C +ATOM 82 CA ALA A 82 262.905 263.912 237.870 1.00 0.00 C +ATOM 83 CA ALA A 83 266.227 262.067 237.607 1.00 0.00 C +ATOM 84 CA VAL A 84 269.788 260.729 237.831 1.00 0.00 C +ATOM 85 CA ALA A 85 271.512 258.271 240.177 1.00 0.00 C +ATOM 86 CA SER A 86 271.457 259.603 243.746 1.00 0.00 C +ATOM 87 CA ARG A 87 268.103 260.680 245.197 1.00 0.00 C +ATOM 88 CA LEU A 88 265.198 262.252 247.097 1.00 0.00 C +ATOM 89 CA LYS A 89 262.517 264.123 245.142 1.00 0.00 C +ATOM 90 CA ARG A 90 260.043 266.192 247.171 1.00 0.00 C +ATOM 91 CA HIS A 91 258.396 263.667 249.501 1.00 0.00 C +ATOM 92 CA PRO A 92 258.314 263.161 253.276 1.00 0.00 C +ATOM 93 CA GLN A 93 256.041 263.238 256.333 1.00 0.00 C +ATOM 94 CA PRO A 94 252.489 263.022 257.693 1.00 0.00 C +ATOM 95 CA HIS A 95 249.947 261.652 255.207 1.00 0.00 C +ATOM 96 CA ARG A 96 248.341 259.847 252.262 1.00 0.00 C +ATOM 97 CA ALA A 97 247.739 258.942 248.610 1.00 0.00 C +ATOM 98 CA GLY A 98 244.936 259.232 246.045 1.00 0.00 C +ATOM 99 CA TRP A 99 242.909 256.722 244.019 1.00 0.00 C +ATOM 100 CA SER A 100 241.792 253.248 242.921 1.00 0.00 C +ATOM 101 CA GLY A 101 244.661 250.782 242.474 1.00 0.00 C +ATOM 102 CA ARG A 102 248.225 249.693 241.679 1.00 0.00 C +ATOM 103 CA GLY A 103 249.514 251.086 238.375 1.00 0.00 C +ATOM 104 CA GLY A 104 247.196 249.676 235.700 1.00 0.00 C +ATOM 105 CA ALA A 105 246.374 246.037 234.925 1.00 0.00 C +ATOM 106 CA GLY A 106 247.100 242.734 236.680 1.00 0.00 C +ATOM 107 CA ASN A 107 247.392 243.583 240.383 1.00 0.00 C +ATOM 108 CA PHE A 108 251.079 243.242 241.281 1.00 0.00 C +ATOM 109 CA ASN A 109 252.593 240.969 238.624 1.00 0.00 C +ATOM 110 CA ALA A 110 256.314 241.293 237.874 1.00 0.00 C +ATOM 111 CA ASP A 111 258.053 239.391 235.068 1.00 0.00 C +ATOM 112 CA GLN A 112 257.752 238.779 231.319 1.00 0.00 C +ATOM 113 CA ALA A 113 260.331 240.375 229.014 1.00 0.00 C +ATOM 114 CA ALA A 114 260.917 241.826 225.540 1.00 0.00 C +ATOM 115 CA GLU A 115 260.602 241.029 221.828 1.00 0.00 C +ATOM 116 CA ASN A 116 262.739 238.863 219.534 1.00 0.00 C +ATOM 117 CA GLU A 117 265.987 237.554 221.035 1.00 0.00 C +ATOM 118 CA ARG A 118 269.725 236.875 221.321 1.00 0.00 C +ATOM 119 CA ARG A 119 272.291 239.543 222.223 1.00 0.00 C +ATOM 120 CA GLN A 120 272.239 242.108 225.039 1.00 0.00 C +ATOM 121 CA GLU A 121 272.122 244.846 227.686 1.00 0.00 C +ATOM 122 CA GLU A 122 269.239 245.986 229.902 1.00 0.00 C +ATOM 123 CA GLU A 123 266.596 243.282 230.367 1.00 0.00 C +ATOM 124 CA GLU A 124 266.368 240.826 233.270 1.00 0.00 C +ATOM 125 CA ARG A 125 268.396 239.812 236.332 1.00 0.00 C +ATOM 126 CA SER A 126 271.459 240.691 238.421 1.00 0.00 C +ATOM 127 CA LYS A 127 275.098 240.339 237.348 1.00 0.00 C +ATOM 128 CA VAL A 128 275.845 236.614 237.644 1.00 0.00 C +ATOM 129 CA ALA A 129 277.485 233.375 238.796 1.00 0.00 C +ATOM 130 CA GLU A 130 279.724 230.519 239.960 1.00 0.00 C +ATOM 131 CA LEU A 131 279.851 228.855 243.385 1.00 0.00 C +ATOM 132 CA ASP A 132 276.490 227.758 244.804 1.00 0.00 C +ATOM 133 CA LYS A 133 273.651 229.970 243.553 1.00 0.00 C +ATOM 134 CA LYS A 134 270.062 229.206 242.529 1.00 0.00 C +ATOM 135 CA ILE A 135 266.888 227.161 242.019 1.00 0.00 C +ATOM 136 CA LYS A 136 263.128 227.367 242.596 1.00 0.00 C +ATOM 137 CA GLU A 137 259.319 227.399 242.528 1.00 0.00 C +ATOM 138 CA ALA A 138 256.443 226.538 244.874 1.00 0.00 C +ATOM 139 CA VAL A 139 254.753 229.473 246.620 1.00 0.00 C +ATOM 140 CA GLU A 140 252.716 232.106 244.767 1.00 0.00 C +ATOM 141 CA GLY A 141 254.052 233.876 241.670 1.00 0.00 C +ATOM 142 CA ALA A 142 257.100 235.451 240.012 1.00 0.00 C +ATOM 143 CA LEU A 143 260.886 235.062 239.852 1.00 0.00 C +ATOM 144 CA ARG A 144 264.284 234.753 241.548 1.00 0.00 C +ATOM 145 CA PRO A 145 266.446 233.668 244.492 1.00 0.00 C +ATOM 146 CA PRO A 146 266.463 234.259 248.256 1.00 0.00 C +ATOM 147 CA GLU A 147 266.240 238.004 248.923 1.00 0.00 C +ATOM 148 CA ARG A 148 266.986 240.957 246.634 1.00 0.00 C +ATOM 149 CA ALA A 149 268.191 244.328 247.939 1.00 0.00 C +ATOM 150 CA HIS A 150 267.857 247.786 249.502 1.00 0.00 C +ATOM 151 CA GLN A 151 264.795 250.010 249.057 1.00 0.00 C +ATOM 152 CA HIS A 152 262.982 252.816 250.888 1.00 0.00 C +ATOM 153 CA GLN A 153 259.633 254.485 251.608 1.00 0.00 C +ATOM 154 CA ARG A 154 259.162 257.086 254.351 1.00 0.00 C +ATOM 155 CA LYS A 155 260.858 256.430 257.699 1.00 0.00 C +ATOM 156 CA GLU A 156 263.396 257.199 260.435 1.00 0.00 C +ATOM 157 CA GLU A 157 263.905 255.158 263.612 1.00 0.00 C +ATOM 158 CA GLU A 158 264.026 251.429 264.385 1.00 0.00 C +ATOM 159 CA GLU A 159 263.889 248.389 266.677 1.00 0.00 C +ATOM 160 CA GLU A 160 261.154 247.193 269.044 1.00 0.00 C +ATOM 161 CA GLU A 161 257.595 247.545 270.356 1.00 0.00 C +ATOM 162 CA PRO A 162 255.917 244.159 270.843 1.00 0.00 C +TER 163 PRO A 162 +END diff --git a/Fungi/A0A2T4AQ39/A0A2T4AQ39.dcd b/Fungi/A0A2T4AQ39/A0A2T4AQ39.dcd new file mode 100644 index 0000000000000000000000000000000000000000..9e113b0f47041d68dbd6346378d961d81817b6b5 --- /dev/null +++ b/Fungi/A0A2T4AQ39/A0A2T4AQ39.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d876432ba834081f23f63af4bf4e7ff623748e063dd719fe5b5be0c238562512 +size 37560276 diff --git a/Fungi/A0A2T4AQ39/top.pdb b/Fungi/A0A2T4AQ39/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e914f75a6fc267074a47b642515365ed9cc7d6fd --- /dev/null +++ b/Fungi/A0A2T4AQ39/top.pdb @@ -0,0 +1,206 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 213.640 248.713 234.289 1.00 0.00 C +ATOM 2 CA ALA A 2 213.648 246.099 231.517 1.00 0.00 C +ATOM 3 CA ARG A 3 211.636 242.887 231.897 1.00 0.00 C +ATOM 4 CA LEU A 4 210.338 241.812 235.315 1.00 0.00 C +ATOM 5 CA SER A 5 211.393 241.132 238.912 1.00 0.00 C +ATOM 6 CA VAL A 6 214.147 242.512 241.154 1.00 0.00 C +ATOM 7 CA SER A 7 215.524 245.762 242.589 1.00 0.00 C +ATOM 8 CA ARG A 8 218.859 246.758 244.139 1.00 0.00 C +ATOM 9 CA GLN A 9 221.701 244.771 242.560 1.00 0.00 C +ATOM 10 CA ALA A 10 223.827 245.470 239.477 1.00 0.00 C +ATOM 11 CA SER A 11 225.285 242.485 237.612 1.00 0.00 C +ATOM 12 CA GLY A 12 223.736 239.124 236.709 1.00 0.00 C +ATOM 13 CA SER A 13 225.190 236.483 234.379 1.00 0.00 C +ATOM 14 CA GLY A 14 225.171 232.674 234.306 1.00 0.00 C +ATOM 15 CA SER A 15 224.379 229.734 236.597 1.00 0.00 C +ATOM 16 CA LEU A 16 225.885 226.353 235.693 1.00 0.00 C +ATOM 17 CA SER A 17 229.524 225.481 236.410 1.00 0.00 C +ATOM 18 CA ARG A 18 231.516 228.106 238.323 1.00 0.00 C +ATOM 19 CA GLN A 19 234.358 230.422 237.285 1.00 0.00 C +ATOM 20 CA PRO A 20 233.484 233.633 235.430 1.00 0.00 C +ATOM 21 CA SER A 21 232.345 237.250 235.796 1.00 0.00 C +ATOM 22 CA GLY A 22 234.446 240.367 236.420 1.00 0.00 C +ATOM 23 CA SER A 23 235.455 243.413 234.367 1.00 0.00 C +ATOM 24 CA ASP A 24 234.664 243.092 230.653 1.00 0.00 C +ATOM 25 CA ALA A 25 237.639 241.767 228.676 1.00 0.00 C +ATOM 26 CA LEU A 26 236.790 238.323 227.285 1.00 0.00 C +ATOM 27 CA GLU A 27 233.705 238.008 225.072 1.00 0.00 C +ATOM 28 CA GLU A 28 232.590 235.200 222.751 1.00 0.00 C +ATOM 29 CA ASP A 29 234.028 235.238 219.223 1.00 0.00 C +ATOM 30 CA GLU A 30 235.542 232.158 217.569 1.00 0.00 C +ATOM 31 CA ALA A 31 237.594 233.565 214.684 1.00 0.00 C +ATOM 32 CA SER A 32 241.180 232.411 215.259 1.00 0.00 C +ATOM 33 CA PRO A 33 244.825 232.900 216.252 1.00 0.00 C +ATOM 34 CA GLN A 34 248.521 232.216 215.628 1.00 0.00 C +ATOM 35 CA MET A 35 251.685 230.930 213.939 1.00 0.00 C +ATOM 36 CA GLY A 36 252.950 227.449 214.832 1.00 0.00 C +ATOM 37 CA TYR A 37 256.010 226.045 216.615 1.00 0.00 C +ATOM 38 CA PHE A 38 258.141 222.903 216.288 1.00 0.00 C +ATOM 39 CA PRO A 39 260.112 219.645 216.421 1.00 0.00 C +ATOM 40 CA PRO A 40 261.605 217.789 219.395 1.00 0.00 C +ATOM 41 CA PRO A 41 264.412 219.182 221.561 1.00 0.00 C +ATOM 42 CA SER A 42 267.179 221.624 222.509 1.00 0.00 C +ATOM 43 CA SER A 43 269.675 224.501 222.430 1.00 0.00 C +ATOM 44 CA SER A 44 273.068 222.768 222.375 1.00 0.00 C +ATOM 45 CA ARG A 45 273.812 219.709 224.521 1.00 0.00 C +ATOM 46 CA PRO A 46 273.319 216.317 226.185 1.00 0.00 C +ATOM 47 CA ARG A 47 275.328 215.783 229.379 1.00 0.00 C +ATOM 48 CA PRO A 48 277.298 218.400 231.324 1.00 0.00 C +ATOM 49 CA LYS A 49 278.609 221.416 233.249 1.00 0.00 C +ATOM 50 CA SER A 50 281.485 222.332 235.574 1.00 0.00 C +ATOM 51 CA GLY A 51 282.544 223.600 239.007 1.00 0.00 C +ATOM 52 CA ILE A 52 281.856 226.868 240.840 1.00 0.00 C +ATOM 53 CA SER A 53 281.486 228.124 244.418 1.00 0.00 C +ATOM 54 CA THR A 54 280.041 228.350 247.936 1.00 0.00 C +ATOM 55 CA SER A 55 280.651 230.357 251.117 1.00 0.00 C +ATOM 56 CA ARG A 56 280.945 229.572 254.834 1.00 0.00 C +ATOM 57 CA PRO A 57 280.338 225.951 255.849 1.00 0.00 C +ATOM 58 CA SER A 58 279.374 222.454 257.017 1.00 0.00 C +ATOM 59 CA SER A 59 279.032 218.684 257.448 1.00 0.00 C +ATOM 60 CA ILE A 60 281.323 215.738 256.682 1.00 0.00 C +ATOM 61 CA HIS A 61 283.573 216.167 253.637 1.00 0.00 C +ATOM 62 CA GLU A 62 286.083 216.581 250.800 1.00 0.00 C +ATOM 63 CA ASP A 63 285.893 220.234 249.732 1.00 0.00 C +ATOM 64 CA VAL A 64 282.237 221.303 249.665 1.00 0.00 C +ATOM 65 CA SER A 65 281.046 221.809 246.082 1.00 0.00 C +ATOM 66 CA LYS A 66 278.020 220.091 244.530 1.00 0.00 C +ATOM 67 CA ASP A 67 274.794 221.102 242.774 1.00 0.00 C +ATOM 68 CA PRO A 68 271.159 220.978 241.639 1.00 0.00 C +ATOM 69 CA PHE A 69 271.019 221.772 237.915 1.00 0.00 C +ATOM 70 CA GLN A 70 271.108 224.223 235.000 1.00 0.00 C +ATOM 71 CA TYR A 71 271.019 226.586 232.013 1.00 0.00 C +ATOM 72 CA GLN A 72 270.617 230.294 231.232 1.00 0.00 C +ATOM 73 CA THR A 73 270.573 232.228 227.949 1.00 0.00 C +ATOM 74 CA ALA A 74 269.173 235.732 227.421 1.00 0.00 C +ATOM 75 CA GLY A 75 270.404 238.368 229.881 1.00 0.00 C +ATOM 76 CA PRO A 76 270.191 241.637 231.826 1.00 0.00 C +ATOM 77 CA ARG A 77 268.193 242.957 234.790 1.00 0.00 C +ATOM 78 CA ALA A 78 267.861 246.750 234.663 1.00 0.00 C +ATOM 79 CA SER A 79 268.209 249.794 232.398 1.00 0.00 C +ATOM 80 CA HIS A 80 266.120 252.868 231.561 1.00 0.00 C +ATOM 81 CA ALA A 81 263.304 255.028 232.947 1.00 0.00 C +ATOM 82 CA PRO A 82 259.689 254.563 231.837 1.00 0.00 C +ATOM 83 CA LYS A 83 257.169 252.647 233.957 1.00 0.00 C +ATOM 84 CA ARG A 84 253.760 251.618 235.312 1.00 0.00 C +ATOM 85 CA HIS A 85 252.581 248.575 233.346 1.00 0.00 C +ATOM 86 CA GLY A 86 251.297 244.998 233.622 1.00 0.00 C +ATOM 87 CA SER A 87 253.544 242.130 234.736 1.00 0.00 C +ATOM 88 CA GLY A 88 254.985 239.759 237.347 1.00 0.00 C +ATOM 89 CA GLN A 89 257.831 238.889 239.727 1.00 0.00 C +ATOM 90 CA SER A 90 259.535 235.488 239.929 1.00 0.00 C +ATOM 91 CA ASP A 91 259.645 234.023 236.413 1.00 0.00 C +ATOM 92 CA LEU A 92 260.518 235.560 233.038 1.00 0.00 C +ATOM 93 CA SER A 93 263.995 236.881 232.213 1.00 0.00 C +ATOM 94 CA SER A 94 266.672 235.191 234.333 1.00 0.00 C +ATOM 95 CA MET A 95 268.516 233.278 237.064 1.00 0.00 C +ATOM 96 CA SER A 96 271.387 232.808 239.524 1.00 0.00 C +ATOM 97 CA ARG A 97 271.891 236.008 241.529 1.00 0.00 C +ATOM 98 CA ARG A 98 269.411 238.789 242.325 1.00 0.00 C +ATOM 99 CA GLY A 99 265.982 238.042 240.841 1.00 0.00 C +ATOM 100 CA ARG A 100 263.769 240.878 242.097 1.00 0.00 C +ATOM 101 CA PRO A 101 264.024 244.006 244.256 1.00 0.00 C +ATOM 102 CA GLY A 102 260.860 245.862 245.284 1.00 0.00 C +ATOM 103 CA SER A 103 258.115 248.074 246.729 1.00 0.00 C +ATOM 104 CA THR A 104 255.672 246.434 249.150 1.00 0.00 C +ATOM 105 CA SER A 105 251.870 246.283 248.948 1.00 0.00 C +ATOM 106 CA GLY A 106 249.602 247.970 246.393 1.00 0.00 C +ATOM 107 CA TRP A 107 250.683 251.623 246.389 1.00 0.00 C +ATOM 108 CA SER A 108 249.909 254.535 244.058 1.00 0.00 C +ATOM 109 CA GLN A 109 247.080 253.727 241.637 1.00 0.00 C +ATOM 110 CA GLN A 110 247.726 255.472 238.313 1.00 0.00 C +ATOM 111 CA GLY A 111 246.047 258.280 236.361 1.00 0.00 C +ATOM 112 CA SER A 112 242.281 258.842 236.226 1.00 0.00 C +ATOM 113 CA SER A 113 240.431 256.017 237.991 1.00 0.00 C +ATOM 114 CA ARG A 114 238.350 257.602 240.761 1.00 0.00 C +ATOM 115 CA ARG A 115 235.389 259.817 239.843 1.00 0.00 C +ATOM 116 CA GLN A 116 235.238 263.619 240.042 1.00 0.00 C +ATOM 117 CA SER A 117 238.772 265.011 239.737 1.00 0.00 C +ATOM 118 CA SER A 118 240.279 265.735 243.161 1.00 0.00 C +ATOM 119 CA GLU A 119 240.421 267.051 246.733 1.00 0.00 C +ATOM 120 CA GLU A 120 240.779 264.411 249.457 1.00 0.00 C +ATOM 121 CA THR A 121 240.863 260.894 250.919 1.00 0.00 C +ATOM 122 CA SER A 122 244.287 259.896 252.261 1.00 0.00 C +ATOM 123 CA GLU A 123 247.385 261.762 253.459 1.00 0.00 C +ATOM 124 CA GLU A 124 248.403 265.270 252.377 1.00 0.00 C +ATOM 125 CA LEU A 125 246.395 267.874 250.453 1.00 0.00 C +ATOM 126 CA ALA A 126 243.204 269.469 251.790 1.00 0.00 C +ATOM 127 CA LEU A 127 242.981 271.933 254.688 1.00 0.00 C +ATOM 128 CA ALA A 128 240.256 273.613 256.754 1.00 0.00 C +ATOM 129 CA ASP A 129 238.701 273.972 260.214 1.00 0.00 C +ATOM 130 CA GLU A 130 235.935 271.438 260.880 1.00 0.00 C +ATOM 131 CA SER A 131 235.766 269.275 257.749 1.00 0.00 C +ATOM 132 CA PRO A 132 236.205 265.500 257.470 1.00 0.00 C +ATOM 133 CA SER A 133 233.042 263.718 258.624 1.00 0.00 C +ATOM 134 CA GLN A 134 229.774 265.526 259.382 1.00 0.00 C +ATOM 135 CA ILE A 135 229.987 268.661 261.536 1.00 0.00 C +ATOM 136 CA VAL A 136 226.799 270.663 260.947 1.00 0.00 C +ATOM 137 CA LYS A 137 225.298 274.119 260.386 1.00 0.00 C +ATOM 138 CA GLY A 138 223.235 277.187 261.308 1.00 0.00 C +ATOM 139 CA ARG A 139 219.801 277.671 262.886 1.00 0.00 C +ATOM 140 CA GLU A 140 218.187 280.020 265.415 1.00 0.00 C +ATOM 141 CA GLU A 141 217.214 281.774 268.654 1.00 0.00 C +ATOM 142 CA ILE A 142 216.693 285.537 268.364 1.00 0.00 C +ATOM 143 CA VAL A 143 218.250 288.956 269.000 1.00 0.00 C +ATOM 144 CA VAL A 144 218.440 291.498 266.169 1.00 0.00 C +ATOM 145 CA GLU A 145 219.938 292.983 262.996 1.00 0.00 C +ATOM 146 CA VAL A 146 223.174 292.783 260.995 1.00 0.00 C +ATOM 147 CA GLU A 147 223.416 289.227 259.650 1.00 0.00 C +ATOM 148 CA PRO A 148 226.128 287.609 257.519 1.00 0.00 C +ATOM 149 CA GLU A 149 226.890 283.877 257.607 1.00 0.00 C +ATOM 150 CA SER A 150 227.709 281.328 260.318 1.00 0.00 C +ATOM 151 CA PRO A 151 231.066 279.654 260.983 1.00 0.00 C +ATOM 152 CA PRO A 152 234.281 279.031 262.930 1.00 0.00 C +ATOM 153 CA GLY A 153 236.972 281.228 264.493 1.00 0.00 C +ATOM 154 CA ARG A 154 239.971 279.422 265.998 1.00 0.00 C +ATOM 155 CA GLU A 155 239.997 279.354 269.807 1.00 0.00 C +ATOM 156 CA LYS A 156 242.911 279.680 272.239 1.00 0.00 C +ATOM 157 CA ALA A 157 242.490 278.268 275.753 1.00 0.00 C +ATOM 158 CA SER A 158 245.250 279.227 278.198 1.00 0.00 C +ATOM 159 CA SER A 159 248.078 280.578 276.032 1.00 0.00 C +ATOM 160 CA ARG A 160 251.412 282.038 277.159 1.00 0.00 C +ATOM 161 CA THR A 161 253.024 285.436 277.767 1.00 0.00 C +ATOM 162 CA ARG A 162 256.167 286.952 276.238 1.00 0.00 C +ATOM 163 CA SER A 163 259.171 284.654 275.774 1.00 0.00 C +ATOM 164 CA THR A 164 262.526 284.205 277.522 1.00 0.00 C +ATOM 165 CA THR A 165 265.474 281.803 277.749 1.00 0.00 C +ATOM 166 CA ARG A 166 265.632 279.996 281.100 1.00 0.00 C +ATOM 167 CA LYS A 167 267.598 277.791 283.506 1.00 0.00 C +ATOM 168 CA ARG A 168 269.284 274.384 283.250 1.00 0.00 C +ATOM 169 CA ILE A 169 268.954 270.626 283.784 1.00 0.00 C +ATOM 170 CA GLU A 170 268.835 267.662 286.174 1.00 0.00 C +ATOM 171 CA PRO A 171 267.109 264.452 287.286 1.00 0.00 C +ATOM 172 CA ALA A 172 264.356 261.949 288.107 1.00 0.00 C +ATOM 173 CA PRO A 173 263.786 259.024 290.481 1.00 0.00 C +ATOM 174 CA THR A 174 260.715 259.638 292.652 1.00 0.00 C +ATOM 175 CA ARG A 175 257.921 257.135 291.989 1.00 0.00 C +ATOM 176 CA ARG A 176 257.444 255.692 288.495 1.00 0.00 C +ATOM 177 CA THR A 177 255.853 254.376 285.293 1.00 0.00 C +ATOM 178 CA THR A 178 255.175 251.436 282.967 1.00 0.00 C +ATOM 179 CA SER A 179 255.365 249.586 279.641 1.00 0.00 C +ATOM 180 CA SER A 180 258.900 249.590 278.222 1.00 0.00 C +ATOM 181 CA ARG A 181 261.200 250.534 281.109 1.00 0.00 C +ATOM 182 CA THR A 182 263.807 252.245 283.298 1.00 0.00 C +ATOM 183 CA THR A 183 263.194 255.792 284.547 1.00 0.00 C +ATOM 184 CA THR A 184 263.297 258.768 282.171 1.00 0.00 C +ATOM 185 CA GLY A 185 260.478 261.315 281.879 1.00 0.00 C +ATOM 186 CA SER A 186 257.259 260.118 283.529 1.00 0.00 C +ATOM 187 CA GLY A 187 254.748 262.979 283.683 1.00 0.00 C +ATOM 188 CA THR A 188 252.088 262.521 280.994 1.00 0.00 C +ATOM 189 CA SER A 189 251.084 259.437 278.994 1.00 0.00 C +ATOM 190 CA THR A 190 247.550 259.664 277.588 1.00 0.00 C +ATOM 191 CA GLY A 191 245.214 261.854 279.652 1.00 0.00 C +ATOM 192 CA VAL A 192 242.112 259.731 280.274 1.00 0.00 C +ATOM 193 CA ARG A 193 240.791 258.355 276.976 1.00 0.00 C +ATOM 194 CA ARG A 194 243.108 256.272 274.784 1.00 0.00 C +ATOM 195 CA LYS A 195 243.074 256.138 270.977 1.00 0.00 C +ATOM 196 CA ARG A 196 241.819 257.500 267.647 1.00 0.00 C +ATOM 197 CA ARG A 197 239.502 259.085 265.071 1.00 0.00 C +ATOM 198 CA GLU A 198 236.319 256.991 265.083 1.00 0.00 C +ATOM 199 CA GLY A 199 235.485 254.216 262.609 1.00 0.00 C +ATOM 200 CA GLU A 200 236.231 252.420 259.332 1.00 0.00 C +ATOM 201 CA ALA A 201 238.888 251.447 256.780 1.00 0.00 C +ATOM 202 CA ARG A 202 241.536 253.910 255.582 1.00 0.00 C +TER 203 ARG A 202 +END diff --git a/Fungi/A0A2T4H4M2/A0A2T4H4M2.dcd b/Fungi/A0A2T4H4M2/A0A2T4H4M2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..3fbdd52837520204f3bf8202f873cc2770ac063f --- /dev/null +++ b/Fungi/A0A2T4H4M2/A0A2T4H4M2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9463682693e6760ccf510288f3946696ba3a5631c9aaef804ae90259053adb07 +size 14960276 diff --git a/Fungi/A0A2T4H4M2/top.pdb b/Fungi/A0A2T4H4M2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f83903c5a9099456f27517d90168e7579364d2f4 --- /dev/null +++ b/Fungi/A0A2T4H4M2/top.pdb @@ -0,0 +1,122 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 281.573 284.647 243.261 1.00 0.00 C +ATOM 2 CA ALA A 2 277.967 283.728 242.446 1.00 0.00 C +ATOM 3 CA LYS A 3 275.353 282.628 244.991 1.00 0.00 C +ATOM 4 CA SER A 4 273.753 284.145 248.097 1.00 0.00 C +ATOM 5 CA SER A 5 271.812 285.748 250.957 1.00 0.00 C +ATOM 6 CA ARG A 6 271.504 284.142 254.398 1.00 0.00 C +ATOM 7 CA ALA A 7 273.384 282.246 257.116 1.00 0.00 C +ATOM 8 CA SER A 8 274.579 279.637 259.622 1.00 0.00 C +ATOM 9 CA THR A 9 277.398 277.228 260.497 1.00 0.00 C +ATOM 10 CA LYS A 10 281.182 277.636 260.672 1.00 0.00 C +ATOM 11 CA LYS A 11 284.343 278.641 258.797 1.00 0.00 C +ATOM 12 CA ALA A 12 285.524 282.018 260.106 1.00 0.00 C +ATOM 13 CA ASN A 13 282.727 283.602 262.152 1.00 0.00 C +ATOM 14 CA ASN A 14 280.859 286.742 261.072 1.00 0.00 C +ATOM 15 CA ARG A 15 277.107 287.393 260.972 1.00 0.00 C +ATOM 16 CA ARG A 16 273.862 286.669 262.834 1.00 0.00 C +ATOM 17 CA LEU A 17 274.560 284.932 266.152 1.00 0.00 C +ATOM 18 CA VAL A 18 274.130 284.863 269.937 1.00 0.00 C +ATOM 19 CA LYS A 19 271.104 286.637 271.425 1.00 0.00 C +ATOM 20 CA ASN A 20 267.367 286.085 270.935 1.00 0.00 C +ATOM 21 CA VAL A 21 263.897 285.015 272.090 1.00 0.00 C +ATOM 22 CA PHE A 22 260.482 286.541 271.363 1.00 0.00 C +ATOM 23 CA GLY A 23 259.694 286.497 267.635 1.00 0.00 C +ATOM 24 CA PRO A 24 257.521 286.320 264.511 1.00 0.00 C +ATOM 25 CA ALA A 25 257.654 282.809 263.036 1.00 0.00 C +ATOM 26 CA GLU A 26 258.896 280.148 265.463 1.00 0.00 C +ATOM 27 CA ALA A 27 257.646 276.561 265.760 1.00 0.00 C +ATOM 28 CA ALA A 28 259.851 274.229 267.813 1.00 0.00 C +ATOM 29 CA ARG A 29 263.066 273.585 265.871 1.00 0.00 C +ATOM 30 CA ASN A 30 266.328 271.869 264.910 1.00 0.00 C +ATOM 31 CA GLU A 31 267.615 268.745 266.673 1.00 0.00 C +ATOM 32 CA ARG A 32 269.256 265.460 267.689 1.00 0.00 C +ATOM 33 CA LEU A 33 268.563 263.137 270.628 1.00 0.00 C +ATOM 34 CA SER A 34 266.666 264.821 273.470 1.00 0.00 C +ATOM 35 CA ALA A 35 263.209 266.423 273.474 1.00 0.00 C +ATOM 36 CA LYS A 36 260.539 267.677 271.062 1.00 0.00 C +ATOM 37 CA LEU A 37 258.873 265.250 268.643 1.00 0.00 C +ATOM 38 CA LEU A 38 258.649 261.541 269.482 1.00 0.00 C +ATOM 39 CA GLU A 39 257.098 261.455 272.961 1.00 0.00 C +ATOM 40 CA VAL A 40 256.097 261.260 276.632 1.00 0.00 C +ATOM 41 CA ALA A 41 255.460 262.522 280.170 1.00 0.00 C +ATOM 42 CA LYS A 42 258.254 263.162 282.680 1.00 0.00 C +ATOM 43 CA GLN A 43 258.390 260.178 285.044 1.00 0.00 C +ATOM 44 CA PRO A 44 257.261 256.548 284.784 1.00 0.00 C +ATOM 45 CA LYS A 45 254.210 254.272 284.624 1.00 0.00 C +ATOM 46 CA PRO A 46 253.349 251.569 282.081 1.00 0.00 C +ATOM 47 CA GLU A 47 252.056 253.208 278.894 1.00 0.00 C +ATOM 48 CA SER A 48 249.690 254.768 276.347 1.00 0.00 C +ATOM 49 CA SER A 49 250.237 253.654 272.745 1.00 0.00 C +ATOM 50 CA ASP A 50 247.003 252.666 270.991 1.00 0.00 C +ATOM 51 CA VAL A 51 246.661 252.230 267.221 1.00 0.00 C +ATOM 52 CA ASN A 52 249.269 250.290 265.235 1.00 0.00 C +ATOM 53 CA MET A 53 249.942 247.911 262.336 1.00 0.00 C +ATOM 54 CA ASN A 54 249.086 248.308 258.644 1.00 0.00 C +ATOM 55 CA THR A 55 249.165 250.945 255.896 1.00 0.00 C +ATOM 56 CA GLU A 56 252.533 251.284 254.146 1.00 0.00 C +ATOM 57 CA GLU A 57 253.366 248.204 252.065 1.00 0.00 C +ATOM 58 CA GLU A 58 256.102 247.374 249.546 1.00 0.00 C +ATOM 59 CA THR A 59 256.774 244.024 247.859 1.00 0.00 C +ATOM 60 CA ASN A 60 256.794 240.536 246.327 1.00 0.00 C +ATOM 61 CA GLU A 61 253.979 238.503 244.760 1.00 0.00 C +ATOM 62 CA SER A 62 254.945 236.683 241.555 1.00 0.00 C +ATOM 63 CA ASN A 63 254.698 235.482 237.947 1.00 0.00 C +ATOM 64 CA GLU A 64 254.017 234.323 234.383 1.00 0.00 C +ATOM 65 CA ASP A 65 252.327 232.489 231.501 1.00 0.00 C +ATOM 66 CA ALA A 66 251.244 232.754 227.858 1.00 0.00 C +ATOM 67 CA GLN A 67 247.496 232.380 227.282 1.00 0.00 C +ATOM 68 CA GLU A 68 245.625 232.949 230.552 1.00 0.00 C +ATOM 69 CA GLU A 69 244.789 236.472 231.735 1.00 0.00 C +ATOM 70 CA THR A 70 246.312 237.699 235.005 1.00 0.00 C +ATOM 71 CA THR A 71 245.303 240.305 237.595 1.00 0.00 C +ATOM 72 CA MET A 72 242.303 240.118 239.936 1.00 0.00 C +ATOM 73 CA ASP A 73 239.490 238.439 241.882 1.00 0.00 C +ATOM 74 CA VAL A 74 237.487 236.588 239.221 1.00 0.00 C +ATOM 75 CA ASP A 75 235.758 233.544 240.724 1.00 0.00 C +ATOM 76 CA SER A 76 235.888 231.324 243.817 1.00 0.00 C +ATOM 77 CA VAL A 77 238.944 229.892 245.585 1.00 0.00 C +ATOM 78 CA LYS A 78 238.128 226.451 247.004 1.00 0.00 C +ATOM 79 CA LYS A 79 239.163 223.034 245.674 1.00 0.00 C +ATOM 80 CA PRO A 80 237.421 222.710 242.301 1.00 0.00 C +ATOM 81 CA SER A 81 234.954 224.423 239.957 1.00 0.00 C +ATOM 82 CA SER A 82 231.607 224.113 241.751 1.00 0.00 C +ATOM 83 CA GLY A 83 229.018 222.863 239.251 1.00 0.00 C +ATOM 84 CA ARG A 84 229.322 223.690 235.544 1.00 0.00 C +ATOM 85 CA ILE A 85 232.541 224.615 233.727 1.00 0.00 C +ATOM 86 CA GLU A 86 233.007 226.578 230.495 1.00 0.00 C +ATOM 87 CA LYS A 87 235.798 229.153 230.194 1.00 0.00 C +ATOM 88 CA LYS A 88 237.304 231.992 228.147 1.00 0.00 C +ATOM 89 CA ARG A 89 235.602 231.814 224.743 1.00 0.00 C +ATOM 90 CA PRO A 90 237.033 232.326 221.250 1.00 0.00 C +ATOM 91 CA ASP A 91 237.994 229.071 219.517 1.00 0.00 C +ATOM 92 CA LYS A 92 237.179 225.544 220.705 1.00 0.00 C +ATOM 93 CA ARG A 93 240.316 224.112 222.326 1.00 0.00 C +ATOM 94 CA LYS A 94 240.860 222.769 225.850 1.00 0.00 C +ATOM 95 CA GLN A 95 242.846 221.050 228.610 1.00 0.00 C +ATOM 96 CA GLN A 96 241.054 218.859 231.161 1.00 0.00 C +ATOM 97 CA SER A 97 237.441 219.748 231.982 1.00 0.00 C +ATOM 98 CA SER A 98 235.482 217.444 234.300 1.00 0.00 C +ATOM 99 CA LYS A 99 233.535 219.024 237.168 1.00 0.00 C +ATOM 100 CA ILE A 100 231.385 217.110 239.664 1.00 0.00 C +ATOM 101 CA THR A 101 228.356 216.116 241.750 1.00 0.00 C +ATOM 102 CA PHE A 102 225.481 216.113 239.249 1.00 0.00 C +ATOM 103 CA LYS A 103 223.978 219.522 238.449 1.00 0.00 C +ATOM 104 CA SER A 104 221.134 221.804 237.345 1.00 0.00 C +ATOM 105 CA TYR A 105 220.259 224.595 234.905 1.00 0.00 C +ATOM 106 CA GLY A 106 218.126 227.091 232.972 1.00 0.00 C +ATOM 107 CA SER A 107 219.685 230.023 231.104 1.00 0.00 C +ATOM 108 CA ARG A 108 221.764 233.207 231.349 1.00 0.00 C +ATOM 109 CA SER A 109 222.902 236.466 232.961 1.00 0.00 C +ATOM 110 CA LYS A 110 223.690 240.008 231.799 1.00 0.00 C +ATOM 111 CA GLY A 111 224.997 242.161 228.941 1.00 0.00 C +ATOM 112 CA LYS A 112 226.927 245.029 230.543 1.00 0.00 C +ATOM 113 CA GLY A 113 230.437 245.195 232.015 1.00 0.00 C +ATOM 114 CA LYS A 114 233.215 242.601 231.741 1.00 0.00 C +ATOM 115 CA LYS A 115 232.705 239.752 234.219 1.00 0.00 C +ATOM 116 CA LYS A 116 233.892 236.321 233.062 1.00 0.00 C +ATOM 117 CA SER A 117 233.431 232.853 234.570 1.00 0.00 C +ATOM 118 CA ALA A 118 232.136 230.344 237.128 1.00 0.00 C +TER 119 ALA A 118 +END diff --git a/Fungi/A0A2U3DNU9/A0A2U3DNU9.dcd b/Fungi/A0A2U3DNU9/A0A2U3DNU9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..346f2a7c8141e442453fb2831680f63bf2ea04f1 --- /dev/null +++ b/Fungi/A0A2U3DNU9/A0A2U3DNU9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:72f78ac65bc08780ca5bf30d494b647ce6ec499ec4b54deaf82308e290f52fd0 +size 6080276 diff --git a/Fungi/A0A2U3DNU9/top.pdb b/Fungi/A0A2U3DNU9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a16d48c07719d6bfbeb3db2aac795736b8b77741 --- /dev/null +++ b/Fungi/A0A2U3DNU9/top.pdb @@ -0,0 +1,48 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 237.470 223.409 239.496 1.00 0.00 C +ATOM 2 CA ALA A 2 236.186 225.980 241.997 1.00 0.00 C +ATOM 3 CA ASP A 3 238.243 229.138 242.560 1.00 0.00 C +ATOM 4 CA TYR A 4 241.002 231.695 243.161 1.00 0.00 C +ATOM 5 CA THR A 5 241.281 232.910 246.762 1.00 0.00 C +ATOM 6 CA GLN A 6 241.367 233.454 250.532 1.00 0.00 C +ATOM 7 CA TYR A 7 238.221 234.404 252.459 1.00 0.00 C +ATOM 8 CA HIS A 8 238.675 235.793 255.977 1.00 0.00 C +ATOM 9 CA ALA A 9 240.748 238.214 258.065 1.00 0.00 C +ATOM 10 CA LEU A 10 242.514 241.572 257.718 1.00 0.00 C +ATOM 11 CA GLY A 11 246.141 242.601 257.164 1.00 0.00 C +ATOM 12 CA GLN A 12 247.410 241.741 253.676 1.00 0.00 C +ATOM 13 CA GLY A 13 244.711 239.619 252.026 1.00 0.00 C +ATOM 14 CA MET A 14 242.838 241.908 249.623 1.00 0.00 C +ATOM 15 CA GLY A 15 243.603 243.469 246.233 1.00 0.00 C +ATOM 16 CA ASN A 16 245.447 245.139 243.348 1.00 0.00 C +ATOM 17 CA ASP A 17 245.241 245.881 239.616 1.00 0.00 C +ATOM 18 CA PRO A 18 247.611 248.157 237.688 1.00 0.00 C +ATOM 19 CA ASN A 19 247.334 251.956 237.644 1.00 0.00 C +ATOM 20 CA ASP A 20 250.650 253.797 238.000 1.00 0.00 C +ATOM 21 CA PRO A 21 251.029 254.678 241.687 1.00 0.00 C +ATOM 22 CA ASN A 22 249.092 257.619 243.142 1.00 0.00 C +ATOM 23 CA ARG A 23 249.335 260.592 240.772 1.00 0.00 C +ATOM 24 CA ASN A 24 252.325 262.732 241.772 1.00 0.00 C +ATOM 25 CA ASN A 25 253.108 266.364 240.926 1.00 0.00 C +ATOM 26 CA PRO A 26 253.053 268.247 244.237 1.00 0.00 C +ATOM 27 CA TYR A 27 251.570 271.749 244.000 1.00 0.00 C +ATOM 28 CA ALA A 28 248.598 271.703 246.384 1.00 0.00 C +ATOM 29 CA ALA A 29 246.648 268.488 245.766 1.00 0.00 C +ATOM 30 CA PRO A 30 247.128 264.869 246.854 1.00 0.00 C +ATOM 31 CA GLY A 31 249.433 262.442 248.674 1.00 0.00 C +ATOM 32 CA GLN A 32 248.973 259.925 251.497 1.00 0.00 C +ATOM 33 CA VAL A 33 251.519 257.878 253.459 1.00 0.00 C +ATOM 34 CA PRO A 34 252.958 258.222 256.970 1.00 0.00 C +ATOM 35 CA TYR A 35 251.125 256.995 260.076 1.00 0.00 C +ATOM 36 CA GLN A 36 253.680 255.596 262.532 1.00 0.00 C +ATOM 37 CA GLN A 37 257.242 256.198 261.322 1.00 0.00 C +ATOM 38 CA GLN A 38 260.687 256.717 262.864 1.00 0.00 C +ATOM 39 CA GLN A 39 263.276 257.338 260.139 1.00 0.00 C +ATOM 40 CA GLN A 40 266.076 254.792 259.692 1.00 0.00 C +ATOM 41 CA GLN A 41 268.130 251.961 261.202 1.00 0.00 C +ATOM 42 CA GLN A 42 271.158 250.417 259.480 1.00 0.00 C +ATOM 43 CA GLN A 43 274.210 248.429 260.598 1.00 0.00 C +ATOM 44 CA GLN A 44 272.958 245.212 262.210 1.00 0.00 C +TER 45 GLN A 44 +END diff --git a/Fungi/A0A2V1E1I8/A0A2V1E1I8.dcd b/Fungi/A0A2V1E1I8/A0A2V1E1I8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..0c8dd09554d284bed9590ac0459e6b2d7b195f26 --- /dev/null +++ b/Fungi/A0A2V1E1I8/A0A2V1E1I8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e4a61f40e8389a8b2be725370dfc4ed1d886c343140635fa0ec276058b180500 +size 43860276 diff --git a/Fungi/A0A2V1E1I8/top.pdb b/Fungi/A0A2V1E1I8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..72c9cac27b22ad23d7010cf4b8bfe760f88ee73e --- /dev/null +++ b/Fungi/A0A2V1E1I8/top.pdb @@ -0,0 +1,241 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 346.591 190.860 269.810 1.00 0.00 C +ATOM 2 CA THR A 2 345.528 194.317 268.610 1.00 0.00 C +ATOM 3 CA SER A 3 347.210 197.268 266.884 1.00 0.00 C +ATOM 4 CA THR A 4 350.480 199.146 267.424 1.00 0.00 C +ATOM 5 CA VAL A 5 353.180 197.888 269.800 1.00 0.00 C +ATOM 6 CA ALA A 6 354.670 195.158 272.000 1.00 0.00 C +ATOM 7 CA ARG A 7 355.531 193.956 275.512 1.00 0.00 C +ATOM 8 CA SER A 8 357.279 193.817 278.895 1.00 0.00 C +ATOM 9 CA ALA A 9 359.673 194.922 281.644 1.00 0.00 C +ATOM 10 CA HIS A 10 360.319 192.089 284.107 1.00 0.00 C +ATOM 11 CA MET A 11 359.496 191.459 287.773 1.00 0.00 C +ATOM 12 CA SER A 12 361.013 193.452 290.644 1.00 0.00 C +ATOM 13 CA SER A 13 362.289 196.893 289.620 1.00 0.00 C +ATOM 14 CA THR A 14 363.864 198.849 286.755 1.00 0.00 C +ATOM 15 CA SER A 15 362.662 200.608 283.596 1.00 0.00 C +ATOM 16 CA SER A 16 361.853 202.330 280.295 1.00 0.00 C +ATOM 17 CA LEU A 17 358.466 201.771 278.642 1.00 0.00 C +ATOM 18 CA LEU A 18 355.782 200.482 276.265 1.00 0.00 C +ATOM 19 CA SER A 19 352.387 201.787 275.130 1.00 0.00 C +ATOM 20 CA SER A 20 349.240 199.651 274.912 1.00 0.00 C +ATOM 21 CA MET A 21 346.546 200.630 277.422 1.00 0.00 C +ATOM 22 CA LYS A 22 342.844 199.883 277.932 1.00 0.00 C +ATOM 23 CA ASP A 23 341.764 197.974 274.817 1.00 0.00 C +ATOM 24 CA LYS A 24 340.199 195.477 272.402 1.00 0.00 C +ATOM 25 CA SER A 25 337.861 195.634 269.398 1.00 0.00 C +ATOM 26 CA LEU A 26 335.689 196.720 266.462 1.00 0.00 C +ATOM 27 CA MET A 27 334.420 198.317 263.244 1.00 0.00 C +ATOM 28 CA MET A 28 332.713 198.970 259.901 1.00 0.00 C +ATOM 29 CA ASN A 29 328.968 199.356 259.317 1.00 0.00 C +ATOM 30 CA ALA A 30 327.211 198.102 262.457 1.00 0.00 C +ATOM 31 CA THR A 31 324.603 196.955 264.986 1.00 0.00 C +ATOM 32 CA MET A 32 322.942 199.346 267.445 1.00 0.00 C +ATOM 33 CA LEU A 33 323.038 197.814 270.932 1.00 0.00 C +ATOM 34 CA SER A 34 320.319 198.302 273.555 1.00 0.00 C +ATOM 35 CA SER A 35 318.281 196.611 276.295 1.00 0.00 C +ATOM 36 CA ASP A 36 315.015 197.947 277.732 1.00 0.00 C +ATOM 37 CA PRO A 37 312.266 199.420 275.543 1.00 0.00 C +ATOM 38 CA PRO A 38 308.503 199.865 275.146 1.00 0.00 C +ATOM 39 CA THR A 39 306.415 201.457 272.386 1.00 0.00 C +ATOM 40 CA PRO A 40 302.980 202.256 270.945 1.00 0.00 C +ATOM 41 CA SER A 41 300.398 205.000 270.380 1.00 0.00 C +ATOM 42 CA SER A 42 301.222 207.640 267.759 1.00 0.00 C +ATOM 43 CA SER A 43 303.363 210.156 265.861 1.00 0.00 C +ATOM 44 CA ILE A 44 302.424 213.553 267.310 1.00 0.00 C +ATOM 45 CA HIS A 45 304.415 215.452 269.946 1.00 0.00 C +ATOM 46 CA SER A 46 307.619 216.779 268.368 1.00 0.00 C +ATOM 47 CA LEU A 47 311.269 215.705 268.560 1.00 0.00 C +ATOM 48 CA GLN A 48 314.108 214.131 266.565 1.00 0.00 C +ATOM 49 CA ASP A 49 315.865 210.973 265.357 1.00 0.00 C +ATOM 50 CA THR A 50 318.204 209.705 262.630 1.00 0.00 C +ATOM 51 CA LEU A 51 321.355 211.720 261.902 1.00 0.00 C +ATOM 52 CA THR A 52 324.504 213.384 260.549 1.00 0.00 C +ATOM 53 CA GLU A 53 327.931 213.718 262.180 1.00 0.00 C +ATOM 54 CA ALA A 54 331.031 215.638 263.283 1.00 0.00 C +ATOM 55 CA GLU A 55 333.267 218.349 264.755 1.00 0.00 C +ATOM 56 CA GLN A 56 335.023 221.719 265.023 1.00 0.00 C +ATOM 57 CA ARG A 57 333.524 225.167 264.406 1.00 0.00 C +ATOM 58 CA GLY A 58 333.297 228.929 263.849 1.00 0.00 C +ATOM 59 CA ARG A 59 334.161 230.832 260.663 1.00 0.00 C +ATOM 60 CA LEU A 60 334.367 234.626 260.955 1.00 0.00 C +ATOM 61 CA LYS A 61 333.530 238.038 262.429 1.00 0.00 C +ATOM 62 CA ARG A 62 333.643 241.429 264.161 1.00 0.00 C +ATOM 63 CA ARG A 63 330.923 243.698 262.759 1.00 0.00 C +ATOM 64 CA ARG A 64 327.403 244.229 264.119 1.00 0.00 C +ATOM 65 CA ARG A 65 323.943 244.252 262.525 1.00 0.00 C +ATOM 66 CA MET A 66 322.284 244.018 259.103 1.00 0.00 C +ATOM 67 CA SER A 67 318.854 245.561 258.492 1.00 0.00 C +ATOM 68 CA SER A 68 316.597 248.440 259.557 1.00 0.00 C +ATOM 69 CA HIS A 69 316.020 251.897 261.049 1.00 0.00 C +ATOM 70 CA SER A 70 316.430 255.439 262.392 1.00 0.00 C +ATOM 71 CA PRO A 71 318.354 257.283 259.670 1.00 0.00 C +ATOM 72 CA PRO A 72 317.712 256.348 256.032 1.00 0.00 C +ATOM 73 CA ARG A 73 317.941 253.962 253.070 1.00 0.00 C +ATOM 74 CA ALA A 74 315.689 254.916 250.150 1.00 0.00 C +ATOM 75 CA PRO A 75 314.522 256.238 246.772 1.00 0.00 C +ATOM 76 CA SER A 76 314.390 259.065 244.222 1.00 0.00 C +ATOM 77 CA PRO A 77 312.374 261.460 242.050 1.00 0.00 C +ATOM 78 CA SER A 78 314.416 262.980 239.216 1.00 0.00 C +ATOM 79 CA ARG A 79 318.011 262.830 237.963 1.00 0.00 C +ATOM 80 CA GLY A 80 320.369 260.332 236.315 1.00 0.00 C +ATOM 81 CA HIS A 81 321.755 260.090 232.774 1.00 0.00 C +ATOM 82 CA GLU A 82 322.518 262.890 230.305 1.00 0.00 C +ATOM 83 CA ARG A 83 323.554 266.345 231.532 1.00 0.00 C +ATOM 84 CA ASP A 84 320.480 268.559 231.940 1.00 0.00 C +ATOM 85 CA SER A 85 317.365 267.563 233.895 1.00 0.00 C +ATOM 86 CA GLY A 86 316.366 270.464 236.153 1.00 0.00 C +ATOM 87 CA SER A 87 312.654 271.321 236.115 1.00 0.00 C +ATOM 88 CA ARG A 88 309.577 271.281 233.868 1.00 0.00 C +ATOM 89 CA HIS A 89 307.960 268.688 231.593 1.00 0.00 C +ATOM 90 CA ARG A 90 309.160 265.073 231.701 1.00 0.00 C +ATOM 91 CA HIS A 91 309.139 261.323 231.028 1.00 0.00 C +ATOM 92 CA HIS A 92 308.885 259.200 234.181 1.00 0.00 C +ATOM 93 CA HIS A 93 306.543 261.116 236.497 1.00 0.00 C +ATOM 94 CA ARG A 94 303.368 262.319 238.225 1.00 0.00 C +ATOM 95 CA LYS A 95 299.859 263.106 236.967 1.00 0.00 C +ATOM 96 CA HIS A 96 297.242 262.261 234.331 1.00 0.00 C +ATOM 97 CA HIS A 97 295.362 261.111 231.222 1.00 0.00 C +ATOM 98 CA ARG A 98 291.666 262.013 231.018 1.00 0.00 C +ATOM 99 CA ALA A 99 289.991 261.022 234.293 1.00 0.00 C +ATOM 100 CA ASP A 100 286.211 260.905 234.756 1.00 0.00 C +ATOM 101 CA SER A 101 282.727 261.699 233.433 1.00 0.00 C +ATOM 102 CA SER A 102 279.545 261.805 235.525 1.00 0.00 C +ATOM 103 CA CYS A 103 278.728 263.748 238.699 1.00 0.00 C +ATOM 104 CA SER A 104 277.840 267.452 238.778 1.00 0.00 C +ATOM 105 CA LEU A 105 277.661 269.623 241.903 1.00 0.00 C +ATOM 106 CA THR A 106 279.008 267.662 244.879 1.00 0.00 C +ATOM 107 CA PRO A 107 279.303 269.766 248.041 1.00 0.00 C +ATOM 108 CA SER A 108 276.542 270.075 250.648 1.00 0.00 C +ATOM 109 CA ALA A 109 273.011 270.630 249.327 1.00 0.00 C +ATOM 110 CA GLU A 110 271.491 273.177 246.935 1.00 0.00 C +ATOM 111 CA VAL A 111 267.952 273.132 245.525 1.00 0.00 C +ATOM 112 CA LEU A 112 264.173 273.003 245.993 1.00 0.00 C +ATOM 113 CA GLU A 113 261.810 271.896 243.216 1.00 0.00 C +ATOM 114 CA ARG A 114 258.336 270.345 243.017 1.00 0.00 C +ATOM 115 CA LYS A 115 256.085 268.572 240.505 1.00 0.00 C +ATOM 116 CA ASN A 116 253.777 271.294 239.172 1.00 0.00 C +ATOM 117 CA ARG A 117 250.576 271.415 241.236 1.00 0.00 C +ATOM 118 CA ARG A 118 247.720 268.897 241.367 1.00 0.00 C +ATOM 119 CA ARG A 119 244.818 270.779 242.965 1.00 0.00 C +ATOM 120 CA SER A 120 241.778 268.511 243.325 1.00 0.00 C +ATOM 121 CA ASP A 121 241.336 265.311 241.305 1.00 0.00 C +ATOM 122 CA ALA A 122 239.577 262.776 239.070 1.00 0.00 C +ATOM 123 CA GLU A 123 236.075 262.967 237.580 1.00 0.00 C +ATOM 124 CA PRO A 124 233.412 265.247 236.088 1.00 0.00 C +ATOM 125 CA ASP A 125 230.273 263.553 234.748 1.00 0.00 C +ATOM 126 CA HIS A 126 229.294 259.911 234.206 1.00 0.00 C +ATOM 127 CA THR A 127 230.422 256.298 233.778 1.00 0.00 C +ATOM 128 CA LEU A 128 227.564 253.801 233.432 1.00 0.00 C +ATOM 129 CA ARG A 129 228.494 250.230 234.382 1.00 0.00 C +ATOM 130 CA GLY A 130 230.370 248.416 237.158 1.00 0.00 C +ATOM 131 CA ARG A 131 229.074 245.233 238.803 1.00 0.00 C +ATOM 132 CA ALA A 132 226.148 243.187 240.134 1.00 0.00 C +ATOM 133 CA ARG A 133 222.484 242.213 240.504 1.00 0.00 C +ATOM 134 CA ASN A 134 220.273 245.003 241.863 1.00 0.00 C +ATOM 135 CA ARG A 135 220.728 246.999 245.077 1.00 0.00 C +ATOM 136 CA SER A 136 217.211 247.281 246.515 1.00 0.00 C +ATOM 137 CA GLN A 137 215.977 249.637 249.243 1.00 0.00 C +ATOM 138 CA SER A 138 213.610 251.871 251.224 1.00 0.00 C +ATOM 139 CA ARG A 139 212.985 253.846 254.421 1.00 0.00 C +ATOM 140 CA SER A 140 210.798 254.749 257.408 1.00 0.00 C +ATOM 141 CA ARG A 141 207.813 254.565 259.769 1.00 0.00 C +ATOM 142 CA ARG A 142 205.890 251.333 259.159 1.00 0.00 C +ATOM 143 CA ALA A 143 202.834 249.504 260.514 1.00 0.00 C +ATOM 144 CA ILE A 144 201.195 249.005 263.917 1.00 0.00 C +ATOM 145 CA SER A 145 197.722 248.438 265.378 1.00 0.00 C +ATOM 146 CA GLU A 146 194.589 246.666 264.130 1.00 0.00 C +ATOM 147 CA GLY A 147 191.060 247.661 265.167 1.00 0.00 C +ATOM 148 CA GLU A 148 189.078 249.074 268.097 1.00 0.00 C +ATOM 149 CA ASP A 149 187.576 252.490 267.328 1.00 0.00 C +ATOM 150 CA ASP A 150 185.833 255.224 265.326 1.00 0.00 C +ATOM 151 CA GLY A 151 182.353 254.687 263.873 1.00 0.00 C +ATOM 152 CA ASP A 152 178.656 255.611 263.881 1.00 0.00 C +ATOM 153 CA ALA A 153 178.634 259.301 262.934 1.00 0.00 C +ATOM 154 CA SER A 154 179.646 262.935 263.469 1.00 0.00 C +ATOM 155 CA SER A 155 182.605 264.161 261.406 1.00 0.00 C +ATOM 156 CA ASP A 156 185.450 263.880 258.887 1.00 0.00 C +ATOM 157 CA GLU A 157 186.314 261.756 255.844 1.00 0.00 C +ATOM 158 CA GLU A 158 184.468 261.790 252.511 1.00 0.00 C +ATOM 159 CA ARG A 159 185.290 263.240 249.085 1.00 0.00 C +ATOM 160 CA TRP A 160 188.705 264.489 247.946 1.00 0.00 C +ATOM 161 CA VAL A 161 191.176 261.590 248.021 1.00 0.00 C +ATOM 162 CA ARG A 162 191.559 260.724 251.712 1.00 0.00 C +ATOM 163 CA GLY A 163 195.054 261.633 252.928 1.00 0.00 C +ATOM 164 CA GLY A 164 198.316 261.526 250.962 1.00 0.00 C +ATOM 165 CA ARG A 165 201.119 264.053 250.443 1.00 0.00 C +ATOM 166 CA LYS A 166 201.788 267.213 252.463 1.00 0.00 C +ATOM 167 CA ARG A 167 200.911 270.274 250.370 1.00 0.00 C +ATOM 168 CA ASP A 168 197.692 272.231 249.804 1.00 0.00 C +ATOM 169 CA VAL A 169 195.885 273.709 246.793 1.00 0.00 C +ATOM 170 CA PRO A 170 192.976 275.713 245.365 1.00 0.00 C +ATOM 171 CA PRO A 171 190.396 277.635 247.405 1.00 0.00 C +ATOM 172 CA SER A 172 186.640 277.910 247.986 1.00 0.00 C +ATOM 173 CA ARG A 173 185.464 274.638 249.543 1.00 0.00 C +ATOM 174 CA ALA A 174 187.434 273.611 252.638 1.00 0.00 C +ATOM 175 CA ARG A 175 185.277 273.657 255.778 1.00 0.00 C +ATOM 176 CA LEU A 176 183.281 276.833 256.446 1.00 0.00 C +ATOM 177 CA LEU A 177 183.759 280.571 257.007 1.00 0.00 C +ATOM 178 CA GLY A 178 183.738 282.753 260.130 1.00 0.00 C +ATOM 179 CA GLN A 179 185.999 285.798 260.501 1.00 0.00 C +ATOM 180 CA ASP A 180 186.390 289.402 259.331 1.00 0.00 C +ATOM 181 CA GLY A 181 186.150 292.445 257.051 1.00 0.00 C +ATOM 182 CA ASP A 182 187.035 292.769 253.359 1.00 0.00 C +ATOM 183 CA ALA A 183 184.179 294.336 251.383 1.00 0.00 C +ATOM 184 CA ILE A 184 184.070 297.398 249.118 1.00 0.00 C +ATOM 185 CA ASP A 185 184.867 300.241 246.711 1.00 0.00 C +ATOM 186 CA ARG A 186 183.585 303.008 244.428 1.00 0.00 C +ATOM 187 CA GLU A 187 180.040 304.066 243.519 1.00 0.00 C +ATOM 188 CA MET A 188 177.270 305.318 245.816 1.00 0.00 C +ATOM 189 CA ARG A 189 174.284 304.741 248.110 1.00 0.00 C +ATOM 190 CA ARG A 190 171.128 304.578 245.982 1.00 0.00 C +ATOM 191 CA GLN A 191 170.178 301.025 244.986 1.00 0.00 C +ATOM 192 CA ARG A 192 168.016 298.184 243.656 1.00 0.00 C +ATOM 193 CA SER A 193 170.006 296.123 241.144 1.00 0.00 C +ATOM 194 CA LEU A 194 173.412 294.936 239.915 1.00 0.00 C +ATOM 195 CA ARG A 195 174.770 293.227 236.793 1.00 0.00 C +ATOM 196 CA ASN A 196 173.597 291.853 233.438 1.00 0.00 C +ATOM 197 CA MET A 197 172.218 293.940 230.564 1.00 0.00 C +ATOM 198 CA TYR A 198 169.712 293.349 227.756 1.00 0.00 C +ATOM 199 CA GLU A 199 165.954 292.939 227.281 1.00 0.00 C +ATOM 200 CA HIS A 200 162.807 290.793 227.197 1.00 0.00 C +ATOM 201 CA SER A 201 160.367 288.626 225.232 1.00 0.00 C +ATOM 202 CA LYS A 202 158.534 287.005 222.311 1.00 0.00 C +ATOM 203 CA TYR A 203 155.088 285.538 221.612 1.00 0.00 C +ATOM 204 CA GLY A 204 153.666 282.980 224.051 1.00 0.00 C +ATOM 205 CA LYS A 205 153.820 280.134 226.580 1.00 0.00 C +ATOM 206 CA THR A 206 152.067 277.106 228.088 1.00 0.00 C +ATOM 207 CA SER A 207 152.861 274.088 225.902 1.00 0.00 C +ATOM 208 CA PRO A 208 153.594 271.043 223.733 1.00 0.00 C +ATOM 209 CA LYS A 209 155.375 269.737 220.628 1.00 0.00 C +ATOM 210 CA GLY A 210 159.171 269.461 220.460 1.00 0.00 C +ATOM 211 CA GLY A 211 161.991 267.676 222.299 1.00 0.00 C +ATOM 212 CA SER A 212 162.436 264.108 221.040 1.00 0.00 C +ATOM 213 CA VAL A 213 161.358 262.721 217.659 1.00 0.00 C +ATOM 214 CA ASP A 214 157.892 262.706 216.078 1.00 0.00 C +ATOM 215 CA ILE A 215 155.066 261.478 213.836 1.00 0.00 C +ATOM 216 CA ASP A 216 154.160 259.734 210.572 1.00 0.00 C +ATOM 217 CA THR A 217 151.718 256.814 210.730 1.00 0.00 C +ATOM 218 CA ARG A 218 148.585 257.871 212.623 1.00 0.00 C +ATOM 219 CA LYS A 219 146.604 258.588 215.797 1.00 0.00 C +ATOM 220 CA GLY A 220 145.163 260.216 218.926 1.00 0.00 C +ATOM 221 CA SER A 221 142.744 259.804 221.841 1.00 0.00 C +ATOM 222 CA PRO A 222 143.855 260.462 225.425 1.00 0.00 C +ATOM 223 CA GLY A 223 147.546 261.387 225.237 1.00 0.00 C +ATOM 224 CA GLN A 224 150.367 258.828 225.322 1.00 0.00 C +ATOM 225 CA ASP A 225 151.640 255.260 225.732 1.00 0.00 C +ATOM 226 CA GLU A 226 149.438 253.676 228.408 1.00 0.00 C +ATOM 227 CA ASN A 227 147.727 254.456 231.721 1.00 0.00 C +ATOM 228 CA ARG A 228 148.522 252.683 234.998 1.00 0.00 C +ATOM 229 CA SER A 229 150.494 253.118 238.229 1.00 0.00 C +ATOM 230 CA PRO A 230 152.950 251.793 240.823 1.00 0.00 C +ATOM 231 CA SER A 231 154.468 254.002 243.531 1.00 0.00 C +ATOM 232 CA SER A 232 156.863 254.195 246.487 1.00 0.00 C +ATOM 233 CA GLY A 233 157.740 253.340 250.095 1.00 0.00 C +ATOM 234 CA VAL A 234 158.954 249.804 250.830 1.00 0.00 C +ATOM 235 CA PRO A 235 158.583 246.014 250.934 1.00 0.00 C +ATOM 236 CA ASP A 236 161.189 243.731 252.519 1.00 0.00 C +ATOM 237 CA ALA A 237 164.081 245.281 254.455 1.00 0.00 C +TER 238 ALA A 237 +END diff --git a/Fungi/A0A2V5H4S2/A0A2V5H4S2.dcd b/Fungi/A0A2V5H4S2/A0A2V5H4S2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..389ec7efc8ebb6ef9639204c876a1655efd52b8c --- /dev/null +++ b/Fungi/A0A2V5H4S2/A0A2V5H4S2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b165fcdd49d8fee22e9a0ad112c5d7fb0071ba88bb9f49f240e7328a61038a32 +size 14000276 diff --git a/Fungi/A0A2V5H4S2/top.pdb b/Fungi/A0A2V5H4S2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..015850b4f4d982ac7062eee636c776f41b9e576d --- /dev/null +++ b/Fungi/A0A2V5H4S2/top.pdb @@ -0,0 +1,114 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 290.889 275.204 238.267 1.00 0.00 C +ATOM 2 CA SER A 2 287.771 274.771 240.415 1.00 0.00 C +ATOM 3 CA TYR A 3 284.142 273.685 240.007 1.00 0.00 C +ATOM 4 CA ASN A 4 281.158 272.594 242.109 1.00 0.00 C +ATOM 5 CA SER A 5 277.583 273.908 242.224 1.00 0.00 C +ATOM 6 CA SER A 6 275.199 272.901 245.020 1.00 0.00 C +ATOM 7 CA GLN A 7 272.554 271.826 247.543 1.00 0.00 C +ATOM 8 CA THR A 8 269.807 269.234 247.043 1.00 0.00 C +ATOM 9 CA SER A 9 269.336 265.921 248.866 1.00 0.00 C +ATOM 10 CA TYR A 10 268.249 262.415 249.887 1.00 0.00 C +ATOM 11 CA PHE A 11 267.894 262.300 253.679 1.00 0.00 C +ATOM 12 CA GLU A 12 266.518 261.720 257.184 1.00 0.00 C +ATOM 13 CA SER A 13 268.806 259.600 259.372 1.00 0.00 C +ATOM 14 CA SER A 14 267.108 256.654 261.091 1.00 0.00 C +ATOM 15 CA SER A 15 267.990 253.015 261.793 1.00 0.00 C +ATOM 16 CA SER A 16 267.083 249.326 262.085 1.00 0.00 C +ATOM 17 CA TYR A 17 263.403 248.725 261.302 1.00 0.00 C +ATOM 18 CA SER A 18 260.450 250.963 260.418 1.00 0.00 C +ATOM 19 CA SER A 19 260.538 252.268 256.839 1.00 0.00 C +ATOM 20 CA SER A 20 263.226 254.217 254.970 1.00 0.00 C +ATOM 21 CA SER A 21 266.641 255.901 255.090 1.00 0.00 C +ATOM 22 CA SER A 22 269.015 254.758 252.338 1.00 0.00 C +ATOM 23 CA SER A 23 270.827 251.673 251.028 1.00 0.00 C +ATOM 24 CA SER A 24 268.905 248.637 252.295 1.00 0.00 C +ATOM 25 CA SER A 25 266.328 245.918 252.993 1.00 0.00 C +ATOM 26 CA SER A 26 265.815 242.222 253.763 1.00 0.00 C +ATOM 27 CA ASP A 27 268.322 240.683 256.184 1.00 0.00 C +ATOM 28 CA GLN A 28 268.455 238.034 258.920 1.00 0.00 C +ATOM 29 CA ASN A 29 265.586 236.073 260.481 1.00 0.00 C +ATOM 30 CA GLN A 30 264.632 232.593 259.257 1.00 0.00 C +ATOM 31 CA GLN A 31 264.080 230.097 256.432 1.00 0.00 C +ATOM 32 CA GLN A 32 265.704 230.359 252.995 1.00 0.00 C +ATOM 33 CA GLN A 33 265.202 228.036 250.017 1.00 0.00 C +ATOM 34 CA PRO A 34 262.677 226.585 247.561 1.00 0.00 C +ATOM 35 CA PRO A 35 263.368 227.697 243.984 1.00 0.00 C +ATOM 36 CA LYS A 36 266.314 230.096 244.270 1.00 0.00 C +ATOM 37 CA THR A 37 268.409 233.192 243.535 1.00 0.00 C +ATOM 38 CA HIS A 38 271.368 232.892 241.154 1.00 0.00 C +ATOM 39 CA GLU A 39 270.851 234.969 238.003 1.00 0.00 C +ATOM 40 CA SER A 40 272.048 238.423 236.929 1.00 0.00 C +ATOM 41 CA GLY A 41 275.367 240.226 236.428 1.00 0.00 C +ATOM 42 CA HIS A 42 278.909 239.255 237.444 1.00 0.00 C +ATOM 43 CA ARG A 43 279.597 241.361 240.544 1.00 0.00 C +ATOM 44 CA ALA A 44 278.215 240.973 244.073 1.00 0.00 C +ATOM 45 CA ALA A 45 274.988 239.043 244.689 1.00 0.00 C +ATOM 46 CA PHE A 46 271.401 238.245 245.695 1.00 0.00 C +ATOM 47 CA ALA A 47 268.706 240.790 244.811 1.00 0.00 C +ATOM 48 CA SER A 48 268.261 243.689 242.379 1.00 0.00 C +ATOM 49 CA HIS A 49 268.423 247.272 241.093 1.00 0.00 C +ATOM 50 CA THR A 50 269.159 250.922 241.900 1.00 0.00 C +ATOM 51 CA ASP A 51 267.648 253.426 244.343 1.00 0.00 C +ATOM 52 CA PRO A 52 266.953 257.160 244.639 1.00 0.00 C +ATOM 53 CA GLU A 53 264.391 258.966 246.804 1.00 0.00 C +ATOM 54 CA GLY A 54 261.305 257.480 248.474 1.00 0.00 C +ATOM 55 CA ASN A 55 257.955 256.470 246.967 1.00 0.00 C +ATOM 56 CA THR A 56 254.945 254.202 247.524 1.00 0.00 C +ATOM 57 CA THR A 57 254.663 253.065 251.149 1.00 0.00 C +ATOM 58 CA VAL A 58 254.152 256.196 253.259 1.00 0.00 C +ATOM 59 CA ARG A 59 253.647 256.977 256.953 1.00 0.00 C +ATOM 60 CA THR A 60 250.523 258.453 258.559 1.00 0.00 C +ATOM 61 CA GLY A 61 248.518 255.562 260.021 1.00 0.00 C +ATOM 62 CA HIS A 62 247.408 254.512 263.512 1.00 0.00 C +ATOM 63 CA GLN A 63 247.363 255.891 267.063 1.00 0.00 C +ATOM 64 CA ASN A 64 244.228 255.192 269.112 1.00 0.00 C +ATOM 65 CA LEU A 65 241.194 253.636 267.413 1.00 0.00 C +ATOM 66 CA GLY A 66 239.733 251.190 264.883 1.00 0.00 C +ATOM 67 CA GLU A 67 239.000 252.396 261.344 1.00 0.00 C +ATOM 68 CA GLU A 68 236.585 255.207 260.463 1.00 0.00 C +ATOM 69 CA PRO A 69 233.107 254.152 261.608 1.00 0.00 C +ATOM 70 CA VAL A 70 229.868 253.035 263.274 1.00 0.00 C +ATOM 71 CA LEU A 71 227.185 252.203 265.848 1.00 0.00 C +ATOM 72 CA LYS A 72 227.468 248.615 267.098 1.00 0.00 C +ATOM 73 CA GLU A 73 225.164 245.675 266.347 1.00 0.00 C +ATOM 74 CA LYS A 74 226.933 242.370 265.664 1.00 0.00 C +ATOM 75 CA ARG A 75 227.585 241.061 262.146 1.00 0.00 C +ATOM 76 CA PHE A 76 226.837 240.312 258.486 1.00 0.00 C +ATOM 77 CA SER A 77 227.873 236.927 257.078 1.00 0.00 C +ATOM 78 CA THR A 78 227.047 233.218 257.352 1.00 0.00 C +ATOM 79 CA SER A 79 224.105 231.950 255.291 1.00 0.00 C +ATOM 80 CA GLY A 80 223.088 233.837 252.141 1.00 0.00 C +ATOM 81 CA ARG A 81 220.878 236.797 253.074 1.00 0.00 C +ATOM 82 CA GLU A 82 222.626 239.914 251.752 1.00 0.00 C +ATOM 83 CA ARG A 83 224.184 238.965 248.407 1.00 0.00 C +ATOM 84 CA GLU A 84 226.926 237.941 245.969 1.00 0.00 C +ATOM 85 CA MET A 85 229.764 236.636 243.788 1.00 0.00 C +ATOM 86 CA MET A 86 230.461 233.809 241.330 1.00 0.00 C +ATOM 87 CA LEU A 87 231.465 233.591 237.661 1.00 0.00 C +ATOM 88 CA ALA A 88 228.968 235.509 235.516 1.00 0.00 C +ATOM 89 CA ALA A 89 227.496 238.900 234.591 1.00 0.00 C +ATOM 90 CA GLY A 90 229.785 241.944 234.478 1.00 0.00 C +ATOM 91 CA THR A 91 232.534 244.295 235.674 1.00 0.00 C +ATOM 92 CA PRO A 92 232.122 245.384 239.302 1.00 0.00 C +ATOM 93 CA MET A 93 232.579 248.986 240.459 1.00 0.00 C +ATOM 94 CA GLY A 94 232.730 251.784 237.877 1.00 0.00 C +ATOM 95 CA GLY A 95 232.960 255.444 238.909 1.00 0.00 C +ATOM 96 CA VAL A 96 233.710 259.173 238.694 1.00 0.00 C +ATOM 97 CA SER A 97 234.228 261.242 241.851 1.00 0.00 C +ATOM 98 CA ARG A 98 233.273 259.885 245.281 1.00 0.00 C +ATOM 99 CA ILE A 99 231.439 262.450 247.419 1.00 0.00 C +ATOM 100 CA GLN A 100 229.697 261.174 250.558 1.00 0.00 C +ATOM 101 CA ASP A 101 226.233 259.891 251.489 1.00 0.00 C +ATOM 102 CA LEU A 102 223.136 261.425 249.885 1.00 0.00 C +ATOM 103 CA ASP A 103 220.965 258.923 248.003 1.00 0.00 C +ATOM 104 CA GLU A 104 217.330 260.014 248.346 1.00 0.00 C +ATOM 105 CA SER A 105 214.313 260.837 246.171 1.00 0.00 C +ATOM 106 CA THR A 106 210.849 260.558 244.607 1.00 0.00 C +ATOM 107 CA GLY A 107 208.729 261.864 241.723 1.00 0.00 C +ATOM 108 CA ASP A 108 208.043 265.492 240.782 1.00 0.00 C +ATOM 109 CA THR A 109 205.950 268.561 241.627 1.00 0.00 C +ATOM 110 CA TYR A 110 202.876 267.418 243.566 1.00 0.00 C +TER 111 TYR A 110 +END diff --git a/Fungi/A0A2V5IKU5/A0A2V5IKU5.dcd b/Fungi/A0A2V5IKU5/A0A2V5IKU5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a77b05a10ecfd432f2b62ddddb9ae434843e4771 --- /dev/null +++ b/Fungi/A0A2V5IKU5/A0A2V5IKU5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:13c99866d9d2c90a19b9eef062303cfb10d2c596930c44533fcdf53f146ba06f +size 7280276 diff --git a/Fungi/A0A2V5IKU5/top.pdb b/Fungi/A0A2V5IKU5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..783762990d50e8cc7084f5e63b09c8c69dd47fe8 --- /dev/null +++ b/Fungi/A0A2V5IKU5/top.pdb @@ -0,0 +1,58 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 234.595 258.117 242.363 1.00 0.00 C +ATOM 2 CA ALA A 2 237.600 257.294 244.556 1.00 0.00 C +ATOM 3 CA LYS A 3 241.033 257.955 243.043 1.00 0.00 C +ATOM 4 CA VAL A 4 244.255 258.815 241.200 1.00 0.00 C +ATOM 5 CA ASN A 5 247.495 258.053 243.054 1.00 0.00 C +ATOM 6 CA ILE A 6 246.572 258.416 246.733 1.00 0.00 C +ATOM 7 CA LYS A 7 244.490 259.108 249.848 1.00 0.00 C +ATOM 8 CA SER A 8 240.893 259.346 251.081 1.00 0.00 C +ATOM 9 CA THR A 9 237.218 260.163 251.671 1.00 0.00 C +ATOM 10 CA MET A 10 233.892 261.819 250.832 1.00 0.00 C +ATOM 11 CA GLU A 11 230.786 260.314 252.446 1.00 0.00 C +ATOM 12 CA GLY A 12 231.118 256.755 253.765 1.00 0.00 C +ATOM 13 CA GLY A 13 228.816 253.779 253.163 1.00 0.00 C +ATOM 14 CA TYR A 14 226.867 251.016 251.408 1.00 0.00 C +ATOM 15 CA ARG A 15 226.228 247.260 251.403 1.00 0.00 C +ATOM 16 CA HIS A 16 228.286 245.926 254.319 1.00 0.00 C +ATOM 17 CA SER A 17 230.991 248.216 255.716 1.00 0.00 C +ATOM 18 CA GLN A 18 232.382 246.867 258.997 1.00 0.00 C +ATOM 19 CA GLN A 19 234.864 249.498 260.194 1.00 0.00 C +ATOM 20 CA GLN A 20 238.215 250.913 261.325 1.00 0.00 C +ATOM 21 CA GLN A 21 240.342 252.637 258.675 1.00 0.00 C +ATOM 22 CA GLN A 22 238.691 252.548 255.243 1.00 0.00 C +ATOM 23 CA GLN A 23 238.546 250.214 252.235 1.00 0.00 C +ATOM 24 CA GLN A 24 240.827 247.702 250.501 1.00 0.00 C +ATOM 25 CA GLN A 25 241.680 248.735 246.934 1.00 0.00 C +ATOM 26 CA GLN A 26 244.040 246.287 245.215 1.00 0.00 C +ATOM 27 CA GLN A 27 244.943 242.705 244.282 1.00 0.00 C +ATOM 28 CA GLN A 28 247.574 241.210 246.597 1.00 0.00 C +ATOM 29 CA GLN A 29 250.823 243.121 246.043 1.00 0.00 C +ATOM 30 CA GLN A 30 252.640 245.640 243.836 1.00 0.00 C +ATOM 31 CA PRO A 31 253.452 248.997 245.444 1.00 0.00 C +ATOM 32 CA GLN A 32 254.652 251.501 248.054 1.00 0.00 C +ATOM 33 CA HIS A 33 257.557 253.964 247.957 1.00 0.00 C +ATOM 34 CA ASP A 34 261.335 254.161 247.508 1.00 0.00 C +ATOM 35 CA PHE A 35 263.068 254.464 250.888 1.00 0.00 C +ATOM 36 CA SER A 36 264.641 251.567 252.797 1.00 0.00 C +ATOM 37 CA VAL A 37 268.153 250.727 254.014 1.00 0.00 C +ATOM 38 CA ARG A 38 270.984 248.941 252.194 1.00 0.00 C +ATOM 39 CA GLY A 39 272.071 245.315 252.623 1.00 0.00 C +ATOM 40 CA ASN A 40 271.969 241.927 254.363 1.00 0.00 C +ATOM 41 CA ASP A 41 269.186 240.409 256.475 1.00 0.00 C +ATOM 42 CA SER A 42 266.792 239.762 259.369 1.00 0.00 C +ATOM 43 CA ASN A 43 264.223 242.323 260.533 1.00 0.00 C +ATOM 44 CA GLY A 44 263.229 245.865 259.541 1.00 0.00 C +ATOM 45 CA ILE A 45 261.368 246.594 256.297 1.00 0.00 C +ATOM 46 CA GLY A 46 259.589 247.354 253.015 1.00 0.00 C +ATOM 47 CA ALA A 47 260.218 246.382 249.385 1.00 0.00 C +ATOM 48 CA LYS A 48 258.889 245.818 245.859 1.00 0.00 C +ATOM 49 CA LEU A 49 260.386 248.653 243.800 1.00 0.00 C +ATOM 50 CA HIS A 50 264.049 248.740 242.756 1.00 0.00 C +ATOM 51 CA SER A 51 266.092 247.421 239.823 1.00 0.00 C +ATOM 52 CA ALA A 52 269.219 245.629 241.062 1.00 0.00 C +ATOM 53 CA GLY A 53 271.840 242.868 240.909 1.00 0.00 C +ATOM 54 CA ALA A 54 270.336 240.189 238.656 1.00 0.00 C +TER 55 ALA A 54 +END diff --git a/Fungi/A0A2W1D067/A0A2W1D067.dcd b/Fungi/A0A2W1D067/A0A2W1D067.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a892077dbd1ace6b0b566fb0df3f34d3a6cf8045 --- /dev/null +++ b/Fungi/A0A2W1D067/A0A2W1D067.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0ee7d5956f1d70a97590633b73881690654da91e3f8715a3a8c2b58d24354095 +size 6680276 diff --git a/Fungi/A0A2W1D067/top.pdb b/Fungi/A0A2W1D067/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0cd2d2695718cdf3b6699b6bc77ab7dbf01d17b2 --- /dev/null +++ b/Fungi/A0A2W1D067/top.pdb @@ -0,0 +1,53 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 271.249 276.911 232.968 1.00 0.00 C +ATOM 2 CA ARG A 2 273.414 278.249 235.802 1.00 0.00 C +ATOM 3 CA ARG A 3 274.655 276.994 239.179 1.00 0.00 C +ATOM 4 CA ARG A 4 272.739 274.155 240.846 1.00 0.00 C +ATOM 5 CA SER A 5 270.121 272.658 243.174 1.00 0.00 C +ATOM 6 CA PRO A 6 270.174 268.870 243.584 1.00 0.00 C +ATOM 7 CA VAL A 7 270.635 265.407 242.065 1.00 0.00 C +ATOM 8 CA LYS A 8 269.493 262.067 243.498 1.00 0.00 C +ATOM 9 CA ASN A 9 267.443 259.249 241.958 1.00 0.00 C +ATOM 10 CA SER A 10 267.856 256.584 239.267 1.00 0.00 C +ATOM 11 CA SER A 11 269.511 253.175 239.663 1.00 0.00 C +ATOM 12 CA ASN A 12 267.473 250.326 241.162 1.00 0.00 C +ATOM 13 CA ASP A 13 264.522 247.975 241.687 1.00 0.00 C +ATOM 14 CA SER A 14 261.071 248.945 242.979 1.00 0.00 C +ATOM 15 CA ASP A 15 257.823 247.399 241.723 1.00 0.00 C +ATOM 16 CA TYR A 16 254.092 248.171 241.730 1.00 0.00 C +ATOM 17 CA THR A 17 253.577 251.756 242.913 1.00 0.00 C +ATOM 18 CA THR A 18 255.008 254.533 240.731 1.00 0.00 C +ATOM 19 CA SER A 19 254.875 258.134 241.968 1.00 0.00 C +ATOM 20 CA ASP A 20 256.012 258.646 245.568 1.00 0.00 C +ATOM 21 CA ILE A 21 254.384 258.032 248.957 1.00 0.00 C +ATOM 22 CA ASP A 22 252.125 255.338 250.424 1.00 0.00 C +ATOM 23 CA ASP A 23 248.592 254.806 251.747 1.00 0.00 C +ATOM 24 CA GLY A 24 244.930 255.135 252.746 1.00 0.00 C +ATOM 25 CA MET A 25 242.791 257.835 251.118 1.00 0.00 C +ATOM 26 CA GLU A 26 242.725 257.311 247.345 1.00 0.00 C +ATOM 27 CA LEU A 27 246.123 256.108 246.113 1.00 0.00 C +ATOM 28 CA ASP A 28 248.349 255.060 243.203 1.00 0.00 C +ATOM 29 CA THR A 29 247.135 252.315 240.856 1.00 0.00 C +ATOM 30 CA ASP A 30 244.758 249.826 242.490 1.00 0.00 C +ATOM 31 CA LEU A 31 241.877 250.883 244.747 1.00 0.00 C +ATOM 32 CA THR A 32 240.617 249.730 248.152 1.00 0.00 C +ATOM 33 CA ASP A 33 240.196 246.027 248.945 1.00 0.00 C +ATOM 34 CA VAL A 34 238.356 242.897 250.099 1.00 0.00 C +ATOM 35 CA ASN A 35 239.376 239.340 251.008 1.00 0.00 C +ATOM 36 CA GLU A 36 242.249 236.879 251.463 1.00 0.00 C +ATOM 37 CA PHE A 37 243.288 235.078 254.656 1.00 0.00 C +ATOM 38 CA ALA A 38 242.136 236.018 258.163 1.00 0.00 C +ATOM 39 CA ASP A 39 239.649 235.359 260.973 1.00 0.00 C +ATOM 40 CA ASN A 40 238.632 235.924 264.601 1.00 0.00 C +ATOM 41 CA ASN A 41 237.476 239.132 266.301 1.00 0.00 C +ATOM 42 CA ASN A 42 233.757 239.384 267.091 1.00 0.00 C +ATOM 43 CA GLU A 43 231.092 236.666 266.950 1.00 0.00 C +ATOM 44 CA ASN A 44 227.845 234.686 266.722 1.00 0.00 C +ATOM 45 CA ASP A 45 226.220 231.695 268.434 1.00 0.00 C +ATOM 46 CA GLU A 46 226.366 228.182 269.902 1.00 0.00 C +ATOM 47 CA ASP A 47 226.095 224.441 270.570 1.00 0.00 C +ATOM 48 CA GLU A 48 228.933 222.018 271.341 1.00 0.00 C +ATOM 49 CA ALA A 49 232.182 223.693 272.415 1.00 0.00 C +TER 50 ALA A 49 +END diff --git a/Fungi/A0A2X0LCA2/A0A2X0LCA2.dcd b/Fungi/A0A2X0LCA2/A0A2X0LCA2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..3ec3ee4e9afba010bc4a0b494f6e6b0bf2ae1337 --- /dev/null +++ b/Fungi/A0A2X0LCA2/A0A2X0LCA2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5f3432e11535264bccb1f299367c0c869a322084accb26117c7f535242e7d677 +size 9320276 diff --git a/Fungi/A0A2X0LCA2/top.pdb b/Fungi/A0A2X0LCA2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..70b18170b81f321cd876d2489d3abbd4470eaf93 --- /dev/null +++ b/Fungi/A0A2X0LCA2/top.pdb @@ -0,0 +1,75 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 251.882 241.587 235.106 1.00 0.00 C +ATOM 2 CA THR A 2 254.388 240.191 232.598 1.00 0.00 C +ATOM 3 CA ALA A 3 254.460 236.431 233.210 1.00 0.00 C +ATOM 4 CA CYS A 4 255.227 233.942 235.991 1.00 0.00 C +ATOM 5 CA SER A 5 257.214 230.773 235.268 1.00 0.00 C +ATOM 6 CA GLY A 6 256.963 227.012 235.827 1.00 0.00 C +ATOM 7 CA LEU A 7 255.671 224.162 238.000 1.00 0.00 C +ATOM 8 CA PRO A 8 254.132 221.281 236.038 1.00 0.00 C +ATOM 9 CA LYS A 9 251.189 222.251 233.822 1.00 0.00 C +ATOM 10 CA ASN A 10 249.109 219.684 231.924 1.00 0.00 C +ATOM 11 CA VAL A 11 248.498 221.189 228.478 1.00 0.00 C +ATOM 12 CA GLN A 12 247.422 224.591 227.140 1.00 0.00 C +ATOM 13 CA THR A 13 249.873 227.340 226.165 1.00 0.00 C +ATOM 14 CA ARG A 14 250.141 227.442 222.366 1.00 0.00 C +ATOM 15 CA LYS A 15 249.405 230.669 220.479 1.00 0.00 C +ATOM 16 CA SER A 16 248.507 233.846 218.577 1.00 0.00 C +ATOM 17 CA PRO A 17 248.070 237.332 220.053 1.00 0.00 C +ATOM 18 CA ARG A 18 248.341 240.938 221.252 1.00 0.00 C +ATOM 19 CA TRP A 19 246.471 244.137 222.135 1.00 0.00 C +ATOM 20 CA ASP A 20 244.011 245.462 224.725 1.00 0.00 C +ATOM 21 CA SER A 21 241.986 244.982 227.917 1.00 0.00 C +ATOM 22 CA ASP A 22 238.723 243.098 228.484 1.00 0.00 C +ATOM 23 CA ARG A 23 238.318 240.095 230.793 1.00 0.00 C +ATOM 24 CA THR A 24 239.834 240.074 234.288 1.00 0.00 C +ATOM 25 CA TYR A 25 242.444 241.674 236.557 1.00 0.00 C +ATOM 26 CA GLN A 26 245.943 242.038 238.018 1.00 0.00 C +ATOM 27 CA ALA A 27 247.035 245.660 238.478 1.00 0.00 C +ATOM 28 CA GLY A 28 248.705 248.050 240.930 1.00 0.00 C +ATOM 29 CA ARG A 29 248.762 251.617 239.593 1.00 0.00 C +ATOM 30 CA ALA A 30 248.324 254.554 241.980 1.00 0.00 C +ATOM 31 CA ASN A 31 251.075 254.839 244.600 1.00 0.00 C +ATOM 32 CA ARG A 32 254.247 252.988 245.614 1.00 0.00 C +ATOM 33 CA GLN A 33 256.554 255.387 247.468 1.00 0.00 C +ATOM 34 CA ASP A 34 260.289 256.138 247.444 1.00 0.00 C +ATOM 35 CA ARG A 35 262.463 257.049 250.437 1.00 0.00 C +ATOM 36 CA LEU A 36 263.655 259.049 253.453 1.00 0.00 C +ATOM 37 CA SER A 37 260.492 260.591 254.914 1.00 0.00 C +ATOM 38 CA GLN A 38 259.976 263.853 256.813 1.00 0.00 C +ATOM 39 CA ASP A 39 263.367 265.390 257.620 1.00 0.00 C +ATOM 40 CA ARG A 40 263.294 265.892 261.396 1.00 0.00 C +ATOM 41 CA HIS A 41 265.539 264.579 264.180 1.00 0.00 C +ATOM 42 CA ARG A 42 267.851 263.177 266.864 1.00 0.00 C +ATOM 43 CA PRO A 43 268.887 259.516 266.659 1.00 0.00 C +ATOM 44 CA THR A 44 267.255 256.255 267.761 1.00 0.00 C +ATOM 45 CA PRO A 45 263.805 255.775 269.303 1.00 0.00 C +ATOM 46 CA LYS A 46 260.235 254.622 269.972 1.00 0.00 C +ATOM 47 CA PRO A 47 258.481 255.347 273.276 1.00 0.00 C +ATOM 48 CA SER A 48 260.746 257.453 275.501 1.00 0.00 C +ATOM 49 CA ALA A 49 260.697 260.481 277.812 1.00 0.00 C +ATOM 50 CA GLU A 50 260.319 263.756 275.903 1.00 0.00 C +ATOM 51 CA ARG A 51 257.218 263.239 273.751 1.00 0.00 C +ATOM 52 CA SER A 52 254.119 261.826 272.043 1.00 0.00 C +ATOM 53 CA GLY A 53 251.026 263.202 273.791 1.00 0.00 C +ATOM 54 CA GLU A 54 248.556 265.052 271.556 1.00 0.00 C +ATOM 55 CA ALA A 55 247.594 263.118 268.417 1.00 0.00 C +ATOM 56 CA SER A 56 247.633 260.804 265.391 1.00 0.00 C +ATOM 57 CA ARG A 57 246.382 257.236 264.918 1.00 0.00 C +ATOM 58 CA ASP A 58 247.590 253.861 263.629 1.00 0.00 C +ATOM 59 CA CYS A 59 245.281 252.198 261.095 1.00 0.00 C +ATOM 60 CA THR A 60 242.782 254.535 259.420 1.00 0.00 C +ATOM 61 CA VAL A 61 243.544 256.322 256.143 1.00 0.00 C +ATOM 62 CA GLN A 62 240.163 257.426 254.776 1.00 0.00 C +ATOM 63 CA ARG A 63 238.235 259.473 257.347 1.00 0.00 C +ATOM 64 CA ALA A 64 238.598 260.684 260.941 1.00 0.00 C +ATOM 65 CA GLN A 65 236.569 260.382 264.152 1.00 0.00 C +ATOM 66 CA ARG A 66 235.274 263.667 265.582 1.00 0.00 C +ATOM 67 CA ARG A 67 232.457 265.753 267.075 1.00 0.00 C +ATOM 68 CA MET A 68 230.325 266.583 270.121 1.00 0.00 C +ATOM 69 CA GLY A 69 227.792 269.068 271.510 1.00 0.00 C +ATOM 70 CA PHE A 70 224.370 267.433 271.876 1.00 0.00 C +ATOM 71 CA GLU A 71 224.215 263.896 273.284 1.00 0.00 C +TER 72 GLU A 71 +END diff --git a/Fungi/A0A2X0LU11/A0A2X0LU11.dcd b/Fungi/A0A2X0LU11/A0A2X0LU11.dcd new file mode 100644 index 0000000000000000000000000000000000000000..21083798fb66c91e0bbc5ad8484447aa9797e36e --- /dev/null +++ b/Fungi/A0A2X0LU11/A0A2X0LU11.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e75fbb94f083a163311e31d06438d8c6ee2e47464813dcf8e26316d649041918 +size 7760276 diff --git a/Fungi/A0A2X0LU11/top.pdb b/Fungi/A0A2X0LU11/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..05cc1b74a202586c23952394fc492b3747f3d278 --- /dev/null +++ b/Fungi/A0A2X0LU11/top.pdb @@ -0,0 +1,62 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 268.658 286.250 237.278 1.00 0.00 C +ATOM 2 CA ARG A 2 267.490 282.995 238.876 1.00 0.00 C +ATOM 3 CA GLU A 3 267.117 280.163 241.398 1.00 0.00 C +ATOM 4 CA ASN A 4 268.372 278.018 244.285 1.00 0.00 C +ATOM 5 CA GLY A 5 272.001 277.844 245.434 1.00 0.00 C +ATOM 6 CA ALA A 6 273.234 274.381 246.437 1.00 0.00 C +ATOM 7 CA PRO A 7 271.788 273.030 249.692 1.00 0.00 C +ATOM 8 CA HIS A 8 271.762 270.093 252.119 1.00 0.00 C +ATOM 9 CA LEU A 9 271.973 266.320 251.628 1.00 0.00 C +ATOM 10 CA HIS A 10 271.842 264.022 248.593 1.00 0.00 C +ATOM 11 CA MET A 11 271.245 261.807 245.551 1.00 0.00 C +ATOM 12 CA CYS A 12 273.343 260.190 242.812 1.00 0.00 C +ATOM 13 CA HIS A 13 270.931 258.001 240.835 1.00 0.00 C +ATOM 14 CA LEU A 14 269.028 258.744 237.619 1.00 0.00 C +ATOM 15 CA ALA A 15 265.338 259.403 238.301 1.00 0.00 C +ATOM 16 CA SER A 16 262.652 257.826 240.495 1.00 0.00 C +ATOM 17 CA PRO A 17 259.261 256.528 239.342 1.00 0.00 C +ATOM 18 CA PRO A 18 257.128 253.531 240.335 1.00 0.00 C +ATOM 19 CA HIS A 19 254.658 250.835 241.406 1.00 0.00 C +ATOM 20 CA TRP A 20 251.090 249.611 240.872 1.00 0.00 C +ATOM 21 CA VAL A 21 249.581 246.404 242.270 1.00 0.00 C +ATOM 22 CA SER A 22 250.544 242.824 241.389 1.00 0.00 C +ATOM 23 CA ALA A 23 253.719 241.447 242.981 1.00 0.00 C +ATOM 24 CA PRO A 24 255.779 238.388 242.023 1.00 0.00 C +ATOM 25 CA ARG A 25 259.024 236.683 240.984 1.00 0.00 C +ATOM 26 CA HIS A 26 261.519 239.518 240.481 1.00 0.00 C +ATOM 27 CA ARG A 27 262.649 241.884 243.245 1.00 0.00 C +ATOM 28 CA ASN A 28 265.040 243.694 245.595 1.00 0.00 C +ATOM 29 CA THR A 29 264.023 247.173 246.770 1.00 0.00 C +ATOM 30 CA THR A 30 260.370 247.702 247.713 1.00 0.00 C +ATOM 31 CA GLY A 31 257.427 249.392 249.445 1.00 0.00 C +ATOM 32 CA ASP A 32 255.574 246.558 251.193 1.00 0.00 C +ATOM 33 CA HIS A 33 252.077 246.867 252.671 1.00 0.00 C +ATOM 34 CA ALA A 34 249.844 243.995 253.803 1.00 0.00 C +ATOM 35 CA THR A 35 247.238 241.255 254.271 1.00 0.00 C +ATOM 36 CA GLN A 36 244.229 242.510 256.243 1.00 0.00 C +ATOM 37 CA SER A 37 241.036 244.497 256.851 1.00 0.00 C +ATOM 38 CA SER A 38 238.844 247.603 256.593 1.00 0.00 C +ATOM 39 CA HIS A 39 235.126 248.422 256.724 1.00 0.00 C +ATOM 40 CA LYS A 40 232.595 250.743 258.375 1.00 0.00 C +ATOM 41 CA SER A 41 230.800 253.610 260.128 1.00 0.00 C +ATOM 42 CA GLY A 42 226.992 253.520 260.017 1.00 0.00 C +ATOM 43 CA GLU A 43 224.048 253.073 257.640 1.00 0.00 C +ATOM 44 CA LEU A 44 222.706 249.780 256.273 1.00 0.00 C +ATOM 45 CA LEU A 45 225.143 246.948 257.018 1.00 0.00 C +ATOM 46 CA GLN A 46 223.580 244.101 259.010 1.00 0.00 C +ATOM 47 CA LYS A 47 224.757 240.551 258.285 1.00 0.00 C +ATOM 48 CA ALA A 48 227.379 237.790 258.139 1.00 0.00 C +ATOM 49 CA ALA A 49 229.845 235.871 255.960 1.00 0.00 C +ATOM 50 CA ALA A 50 231.963 235.429 252.824 1.00 0.00 C +ATOM 51 CA GLU A 51 232.670 231.690 252.635 1.00 0.00 C +ATOM 52 CA GLN A 52 236.298 230.865 253.455 1.00 0.00 C +ATOM 53 CA GLY A 53 236.431 227.925 255.874 1.00 0.00 C +ATOM 54 CA ASP A 54 234.887 228.378 259.328 1.00 0.00 C +ATOM 55 CA HIS A 55 232.471 227.319 262.077 1.00 0.00 C +ATOM 56 CA PHE A 56 230.242 229.258 264.483 1.00 0.00 C +ATOM 57 CA GLY A 57 228.689 232.219 266.310 1.00 0.00 C +ATOM 58 CA GLY A 58 225.950 234.522 267.618 1.00 0.00 C +TER 59 GLY A 58 +END diff --git a/Fungi/A0A2Z5W7X6/A0A2Z5W7X6.dcd b/Fungi/A0A2Z5W7X6/A0A2Z5W7X6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..61ffd4bb52dddfa3d0e28711347330f23a2c924a --- /dev/null +++ b/Fungi/A0A2Z5W7X6/A0A2Z5W7X6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d82ff2941ade80ec94e69b29402d5343aefc8076af0f16ca395c0ff4d4883bbd +size 4640276 diff --git a/Fungi/A0A2Z5W7X6/top.pdb b/Fungi/A0A2Z5W7X6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c7664a1ee4b9dfa12835fba4bcb91ad2d57b305a --- /dev/null +++ b/Fungi/A0A2Z5W7X6/top.pdb @@ -0,0 +1,36 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 233.705 251.886 236.316 1.00 0.00 C +ATOM 2 CA PRO A 2 236.723 253.752 237.705 1.00 0.00 C +ATOM 3 CA ARG A 3 239.551 253.792 240.259 1.00 0.00 C +ATOM 4 CA PRO A 4 242.892 255.372 239.336 1.00 0.00 C +ATOM 5 CA ILE A 5 245.718 253.175 240.642 1.00 0.00 C +ATOM 6 CA PHE A 6 247.329 249.769 240.076 1.00 0.00 C +ATOM 7 CA TYR A 7 245.087 246.709 240.433 1.00 0.00 C +ATOM 8 CA ASP A 8 245.665 245.160 243.865 1.00 0.00 C +ATOM 9 CA SER A 9 245.515 242.086 246.112 1.00 0.00 C +ATOM 10 CA ASN A 10 245.907 239.132 248.486 1.00 0.00 C +ATOM 11 CA THR A 11 244.615 240.236 251.897 1.00 0.00 C +ATOM 12 CA ASN A 12 244.511 239.990 255.697 1.00 0.00 C +ATOM 13 CA HIS A 13 243.488 241.864 258.853 1.00 0.00 C +ATOM 14 CA PRO A 14 245.961 244.228 260.530 1.00 0.00 C +ATOM 15 CA SER A 15 248.547 246.680 259.183 1.00 0.00 C +ATOM 16 CA ARG A 16 251.144 249.307 260.118 1.00 0.00 C +ATOM 17 CA GLN A 17 254.892 249.571 259.485 1.00 0.00 C +ATOM 18 CA GLN A 18 256.120 253.053 258.547 1.00 0.00 C +ATOM 19 CA ILE A 19 257.845 256.396 259.152 1.00 0.00 C +ATOM 20 CA SER A 20 259.846 258.207 256.463 1.00 0.00 C +ATOM 21 CA GLY A 21 260.411 258.688 252.726 1.00 0.00 C +ATOM 22 CA GLU A 22 258.424 258.256 249.504 1.00 0.00 C +ATOM 23 CA HIS A 23 259.149 254.697 248.354 1.00 0.00 C +ATOM 24 CA GLY A 24 257.343 251.394 247.768 1.00 0.00 C +ATOM 25 CA LEU A 25 254.712 251.793 245.040 1.00 0.00 C +ATOM 26 CA ASP A 26 252.094 254.560 245.059 1.00 0.00 C +ATOM 27 CA SER A 27 250.595 254.643 248.561 1.00 0.00 C +ATOM 28 CA ASN A 28 252.585 253.970 251.740 1.00 0.00 C +ATOM 29 CA GLY A 29 251.484 251.487 254.412 1.00 0.00 C +ATOM 30 CA VAL A 30 252.925 248.017 253.783 1.00 0.00 C +ATOM 31 CA TYR A 31 256.686 247.487 254.077 1.00 0.00 C +ATOM 32 CA VAL A 32 258.531 244.643 255.818 1.00 0.00 C +TER 33 VAL A 32 +END diff --git a/Fungi/A0A316ZSE5/A0A316ZSE5.dcd b/Fungi/A0A316ZSE5/A0A316ZSE5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..3ac071e8ac7d2d7786af3af310438dd69d006453 --- /dev/null +++ b/Fungi/A0A316ZSE5/A0A316ZSE5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cf2b2ee630f1767203654c766001979e9bbcd701935e77ad63dc73ca4390735a +size 10280276 diff --git a/Fungi/A0A316ZSE5/top.pdb b/Fungi/A0A316ZSE5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b4d19b9572687b225ecbbefa28b12fab601b7ec8 --- /dev/null +++ b/Fungi/A0A316ZSE5/top.pdb @@ -0,0 +1,83 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 230.000 261.897 257.912 1.00 0.00 C +ATOM 2 CA SER A 2 233.595 261.460 259.095 1.00 0.00 C +ATOM 3 CA SER A 3 236.364 259.000 258.203 1.00 0.00 C +ATOM 4 CA ASN A 4 237.776 256.682 255.530 1.00 0.00 C +ATOM 5 CA GLY A 5 239.940 257.330 252.461 1.00 0.00 C +ATOM 6 CA SER A 6 239.449 259.904 249.696 1.00 0.00 C +ATOM 7 CA TYR A 7 241.569 262.943 250.584 1.00 0.00 C +ATOM 8 CA SER A 8 243.948 264.064 253.340 1.00 0.00 C +ATOM 9 CA GLY A 9 246.143 264.185 256.452 1.00 0.00 C +ATOM 10 CA TYR A 10 248.934 262.536 258.454 1.00 0.00 C +ATOM 11 CA TYR A 11 249.094 259.661 260.948 1.00 0.00 C +ATOM 12 CA ALA A 12 250.805 256.968 263.030 1.00 0.00 C +ATOM 13 CA GLN A 13 253.684 254.748 264.172 1.00 0.00 C +ATOM 14 CA ASN A 14 256.858 254.681 262.066 1.00 0.00 C +ATOM 15 CA LYS A 15 259.408 256.370 259.794 1.00 0.00 C +ATOM 16 CA GLY A 16 261.343 258.396 257.212 1.00 0.00 C +ATOM 17 CA ALA A 17 264.281 260.639 258.136 1.00 0.00 C +ATOM 18 CA TYR A 18 267.852 259.361 258.496 1.00 0.00 C +ATOM 19 CA THR A 19 269.222 256.061 259.819 1.00 0.00 C +ATOM 20 CA SER A 20 266.476 253.435 260.106 1.00 0.00 C +ATOM 21 CA ARG A 21 266.138 251.432 263.329 1.00 0.00 C +ATOM 22 CA PRO A 22 269.301 250.607 265.286 1.00 0.00 C +ATOM 23 CA THR A 23 271.084 253.876 266.098 1.00 0.00 C +ATOM 24 CA THR A 24 272.469 255.535 269.235 1.00 0.00 C +ATOM 25 CA SER A 25 271.945 255.730 273.004 1.00 0.00 C +ATOM 26 CA SER A 26 271.080 258.745 275.167 1.00 0.00 C +ATOM 27 CA THR A 27 269.956 262.175 273.948 1.00 0.00 C +ATOM 28 CA SER A 28 269.937 264.349 270.819 1.00 0.00 C +ATOM 29 CA TYR A 29 271.437 267.725 269.886 1.00 0.00 C +ATOM 30 CA SER A 30 270.548 271.364 270.579 1.00 0.00 C +ATOM 31 CA ALA A 31 267.802 272.400 273.009 1.00 0.00 C +ATOM 32 CA THR A 32 266.542 269.620 275.290 1.00 0.00 C +ATOM 33 CA SER A 33 264.595 266.904 277.121 1.00 0.00 C +ATOM 34 CA SER A 34 263.558 263.460 275.864 1.00 0.00 C +ATOM 35 CA ARG A 35 260.491 263.943 273.655 1.00 0.00 C +ATOM 36 CA SER A 36 260.768 265.473 270.177 1.00 0.00 C +ATOM 37 CA LEU A 37 258.126 264.181 267.755 1.00 0.00 C +ATOM 38 CA ASN A 38 257.957 265.199 264.087 1.00 0.00 C +ATOM 39 CA THR A 39 259.326 263.921 260.769 1.00 0.00 C +ATOM 40 CA ASN A 40 257.980 263.628 257.217 1.00 0.00 C +ATOM 41 CA SER A 41 254.852 265.133 255.645 1.00 0.00 C +ATOM 42 CA GLY A 42 252.612 266.511 252.889 1.00 0.00 C +ATOM 43 CA THR A 43 251.096 267.064 249.437 1.00 0.00 C +ATOM 44 CA SER A 44 252.975 267.853 246.218 1.00 0.00 C +ATOM 45 CA SER A 45 255.503 265.151 245.310 1.00 0.00 C +ATOM 46 CA ARG A 46 254.467 262.933 242.390 1.00 0.00 C +ATOM 47 CA GLY A 47 251.516 262.598 240.004 1.00 0.00 C +ATOM 48 CA LYS A 48 251.469 259.872 237.342 1.00 0.00 C +ATOM 49 CA CYS A 49 249.612 256.795 238.606 1.00 0.00 C +ATOM 50 CA PHE A 50 248.852 254.238 241.327 1.00 0.00 C +ATOM 51 CA SER A 51 250.165 254.029 244.898 1.00 0.00 C +ATOM 52 CA GLN A 52 250.883 251.108 247.236 1.00 0.00 C +ATOM 53 CA PRO A 53 248.307 248.305 247.085 1.00 0.00 C +ATOM 54 CA PRO A 54 247.769 244.797 245.700 1.00 0.00 C +ATOM 55 CA VAL A 55 245.756 243.155 242.912 1.00 0.00 C +ATOM 56 CA VAL A 56 242.620 243.565 240.788 1.00 0.00 C +ATOM 57 CA HIS A 57 239.461 242.253 239.110 1.00 0.00 C +ATOM 58 CA ASN A 58 237.103 240.612 241.612 1.00 0.00 C +ATOM 59 CA GLY A 59 235.869 237.108 240.767 1.00 0.00 C +ATOM 60 CA GLY A 60 232.127 236.441 240.507 1.00 0.00 C +ATOM 61 CA GLY A 61 231.427 232.788 239.682 1.00 0.00 C +ATOM 62 CA LYS A 62 231.388 229.696 237.456 1.00 0.00 C +ATOM 63 CA LEU A 63 233.533 228.100 234.741 1.00 0.00 C +ATOM 64 CA ASN A 64 233.055 226.547 231.295 1.00 0.00 C +ATOM 65 CA ASP A 65 230.558 224.252 229.559 1.00 0.00 C +ATOM 66 CA PRO A 66 231.928 222.452 226.494 1.00 0.00 C +ATOM 67 CA ASN A 67 232.206 218.673 226.097 1.00 0.00 C +ATOM 68 CA THR A 68 233.770 215.697 224.304 1.00 0.00 C +ATOM 69 CA SER A 69 236.270 213.872 222.082 1.00 0.00 C +ATOM 70 CA THR A 70 239.208 213.861 219.657 1.00 0.00 C +ATOM 71 CA SER A 71 242.297 215.178 221.456 1.00 0.00 C +ATOM 72 CA VAL A 72 241.110 217.638 224.113 1.00 0.00 C +ATOM 73 CA GLN A 73 238.466 219.784 225.822 1.00 0.00 C +ATOM 74 CA ASN A 74 239.343 223.345 224.786 1.00 0.00 C +ATOM 75 CA SER A 75 236.814 225.977 223.695 1.00 0.00 C +ATOM 76 CA GLY A 76 233.945 228.190 224.872 1.00 0.00 C +ATOM 77 CA TYR A 77 234.869 230.989 227.286 1.00 0.00 C +ATOM 78 CA TYR A 78 238.229 232.358 228.448 1.00 0.00 C +ATOM 79 CA GLY A 79 240.789 230.494 230.567 1.00 0.00 C +TER 80 GLY A 79 +END diff --git a/Fungi/A0A317A8G9/A0A317A8G9.dcd b/Fungi/A0A317A8G9/A0A317A8G9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..827f4ca52a9a1801d7290a235c2d3d5a8d9a51b5 --- /dev/null +++ b/Fungi/A0A317A8G9/A0A317A8G9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:de4b81b516a6f97625f062331148e4672c7ea1724f684c3a3d310d3cf101f399 +size 11720276 diff --git a/Fungi/A0A317A8G9/top.pdb b/Fungi/A0A317A8G9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8a23d17c086dfc4ad962dc0fe8318194f0f27505 --- /dev/null +++ b/Fungi/A0A317A8G9/top.pdb @@ -0,0 +1,95 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 269.197 235.878 243.696 1.00 0.00 C +ATOM 2 CA MET A 2 270.611 239.093 245.174 1.00 0.00 C +ATOM 3 CA THR A 3 271.510 242.076 247.366 1.00 0.00 C +ATOM 4 CA THR A 4 272.701 245.213 249.170 1.00 0.00 C +ATOM 5 CA SER A 5 272.028 248.388 251.167 1.00 0.00 C +ATOM 6 CA TYR A 6 273.407 248.887 254.684 1.00 0.00 C +ATOM 7 CA PRO A 7 273.692 252.540 255.729 1.00 0.00 C +ATOM 8 CA ASN A 8 272.700 254.713 252.761 1.00 0.00 C +ATOM 9 CA HIS A 9 274.973 256.821 250.546 1.00 0.00 C +ATOM 10 CA GLY A 10 274.099 260.529 250.591 1.00 0.00 C +ATOM 11 CA GLY A 11 271.327 263.027 249.817 1.00 0.00 C +ATOM 12 CA MET A 12 272.489 266.612 250.374 1.00 0.00 C +ATOM 13 CA HIS A 13 270.133 269.537 251.011 1.00 0.00 C +ATOM 14 CA PRO A 14 266.667 268.168 251.806 1.00 0.00 C +ATOM 15 CA GLN A 15 263.703 269.052 254.031 1.00 0.00 C +ATOM 16 CA GLY A 16 261.088 270.002 256.634 1.00 0.00 C +ATOM 17 CA MET A 17 259.079 268.621 259.561 1.00 0.00 C +ATOM 18 CA GLN A 18 259.771 264.888 259.884 1.00 0.00 C +ATOM 19 CA HIS A 19 262.756 263.070 258.368 1.00 0.00 C +ATOM 20 CA THR A 20 265.379 260.632 259.671 1.00 0.00 C +ATOM 21 CA HIS A 21 268.715 262.127 258.597 1.00 0.00 C +ATOM 22 CA PRO A 22 269.814 264.814 256.130 1.00 0.00 C +ATOM 23 CA GLY A 23 270.677 267.837 258.283 1.00 0.00 C +ATOM 24 CA MET A 24 270.119 268.329 262.019 1.00 0.00 C +ATOM 25 CA GLY A 25 269.441 271.783 263.477 1.00 0.00 C +ATOM 26 CA GLY A 26 268.723 275.401 264.433 1.00 0.00 C +ATOM 27 CA PRO A 27 265.835 277.877 264.215 1.00 0.00 C +ATOM 28 CA GLY A 28 262.213 278.989 263.813 1.00 0.00 C +ATOM 29 CA GLN A 29 259.390 279.772 261.378 1.00 0.00 C +ATOM 30 CA ASN A 30 260.914 279.875 257.888 1.00 0.00 C +ATOM 31 CA GLN A 31 262.359 278.703 254.562 1.00 0.00 C +ATOM 32 CA GLY A 32 262.774 276.152 251.764 1.00 0.00 C +ATOM 33 CA GLN A 33 265.134 275.970 248.778 1.00 0.00 C +ATOM 34 CA PRO A 34 264.200 277.417 245.379 1.00 0.00 C +ATOM 35 CA GLY A 35 262.185 278.486 242.328 1.00 0.00 C +ATOM 36 CA MET A 36 262.001 275.480 239.994 1.00 0.00 C +ATOM 37 CA PRO A 37 261.398 271.919 241.207 1.00 0.00 C +ATOM 38 CA PRO A 38 261.693 269.413 244.062 1.00 0.00 C +ATOM 39 CA GLY A 39 261.577 268.842 247.827 1.00 0.00 C +ATOM 40 CA MET A 40 259.844 265.742 249.206 1.00 0.00 C +ATOM 41 CA GLN A 41 258.534 262.603 247.489 1.00 0.00 C +ATOM 42 CA HIS A 42 258.883 258.864 246.844 1.00 0.00 C +ATOM 43 CA VAL A 43 255.946 256.494 246.319 1.00 0.00 C +ATOM 44 CA SER A 44 253.115 254.314 247.640 1.00 0.00 C +ATOM 45 CA GLY A 45 251.003 253.358 244.616 1.00 0.00 C +ATOM 46 CA PRO A 46 248.389 256.051 243.959 1.00 0.00 C +ATOM 47 CA ASN A 47 245.553 257.807 242.117 1.00 0.00 C +ATOM 48 CA GLY A 48 244.119 259.045 238.812 1.00 0.00 C +ATOM 49 CA PRO A 49 241.091 259.186 236.504 1.00 0.00 C +ATOM 50 CA VAL A 50 238.204 256.892 235.546 1.00 0.00 C +ATOM 51 CA SER A 51 235.287 257.814 237.817 1.00 0.00 C +ATOM 52 CA GLN A 52 234.336 258.729 241.392 1.00 0.00 C +ATOM 53 CA ALA A 53 236.480 261.090 243.476 1.00 0.00 C +ATOM 54 CA GLY A 54 237.642 259.276 246.619 1.00 0.00 C +ATOM 55 CA PRO A 55 241.397 258.936 247.167 1.00 0.00 C +ATOM 56 CA MET A 56 244.692 258.120 248.896 1.00 0.00 C +ATOM 57 CA MET A 57 245.413 259.955 252.157 1.00 0.00 C +ATOM 58 CA GLY A 58 246.834 258.667 255.449 1.00 0.00 C +ATOM 59 CA MET A 59 247.617 258.941 259.167 1.00 0.00 C +ATOM 60 CA GLN A 60 245.251 259.316 262.130 1.00 0.00 C +ATOM 61 CA PRO A 61 244.640 255.744 263.307 1.00 0.00 C +ATOM 62 CA GLY A 62 244.641 252.820 265.750 1.00 0.00 C +ATOM 63 CA MET A 63 243.652 249.199 266.400 1.00 0.00 C +ATOM 64 CA GLY A 64 241.307 248.143 263.588 1.00 0.00 C +ATOM 65 CA ASN A 65 238.429 245.650 263.453 1.00 0.00 C +ATOM 66 CA ASN A 66 234.981 245.111 261.924 1.00 0.00 C +ATOM 67 CA ALA A 67 231.979 243.206 260.557 1.00 0.00 C +ATOM 68 CA HIS A 68 230.098 244.168 257.385 1.00 0.00 C +ATOM 69 CA ALA A 69 226.822 242.255 257.034 1.00 0.00 C +ATOM 70 CA LEU A 70 227.208 239.002 255.088 1.00 0.00 C +ATOM 71 CA SER A 71 227.328 235.803 253.022 1.00 0.00 C +ATOM 72 CA HIS A 72 229.457 232.644 253.049 1.00 0.00 C +ATOM 73 CA LEU A 73 232.506 231.306 251.197 1.00 0.00 C +ATOM 74 CA GLN A 74 234.704 228.220 251.596 1.00 0.00 C +ATOM 75 CA PRO A 75 236.004 225.470 249.302 1.00 0.00 C +ATOM 76 CA GLN A 76 235.392 221.717 249.060 1.00 0.00 C +ATOM 77 CA GLN A 77 232.025 220.630 247.647 1.00 0.00 C +ATOM 78 CA PRO A 78 229.719 217.713 246.816 1.00 0.00 C +ATOM 79 CA HIS A 79 226.567 216.325 245.186 1.00 0.00 C +ATOM 80 CA MET A 80 223.862 216.888 242.564 1.00 0.00 C +ATOM 81 CA PHE A 81 222.737 214.517 239.802 1.00 0.00 C +ATOM 82 CA PRO A 82 223.996 212.185 237.064 1.00 0.00 C +ATOM 83 CA GLN A 83 222.403 208.725 237.081 1.00 0.00 C +ATOM 84 CA GLN A 84 220.448 206.216 234.983 1.00 0.00 C +ATOM 85 CA GLN A 85 220.724 203.072 232.849 1.00 0.00 C +ATOM 86 CA GLN A 86 224.078 201.310 233.247 1.00 0.00 C +ATOM 87 CA HIS A 87 227.870 201.281 233.618 1.00 0.00 C +ATOM 88 CA GLN A 88 230.300 203.815 235.098 1.00 0.00 C +ATOM 89 CA MET A 89 233.671 204.264 236.817 1.00 0.00 C +ATOM 90 CA SER A 90 236.956 202.737 235.638 1.00 0.00 C +ATOM 91 CA GLU A 91 239.397 201.727 238.383 1.00 0.00 C +TER 92 GLU A 91 +END diff --git a/Fungi/A0A319DXM1/A0A319DXM1.dcd b/Fungi/A0A319DXM1/A0A319DXM1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..60a3067dea09e670dd9ca4af31cbc9f16d19984e --- /dev/null +++ b/Fungi/A0A319DXM1/A0A319DXM1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2113f9a5832023a8694c716eaae4272c326666041f42338020776096c0696c54 +size 10760276 diff --git a/Fungi/A0A319DXM1/top.pdb b/Fungi/A0A319DXM1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7d9e0cb8b223a79b4973665b93af938e1adb8823 --- /dev/null +++ b/Fungi/A0A319DXM1/top.pdb @@ -0,0 +1,87 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 214.201 268.720 261.611 1.00 0.00 C +ATOM 2 CA ALA A 2 217.161 266.536 262.604 1.00 0.00 C +ATOM 3 CA SER A 3 220.474 265.742 260.899 1.00 0.00 C +ATOM 4 CA ASN A 4 222.319 262.553 259.926 1.00 0.00 C +ATOM 5 CA ASN A 5 220.697 259.587 258.170 1.00 0.00 C +ATOM 6 CA ASP A 6 217.081 259.621 259.371 1.00 0.00 C +ATOM 7 CA ALA A 7 214.351 259.757 256.717 1.00 0.00 C +ATOM 8 CA ARG A 8 213.660 262.889 254.662 1.00 0.00 C +ATOM 9 CA GLU A 9 213.843 266.695 254.720 1.00 0.00 C +ATOM 10 CA GLN A 10 217.322 267.505 253.394 1.00 0.00 C +ATOM 11 CA THR A 11 220.798 268.083 254.843 1.00 0.00 C +ATOM 12 CA LYS A 12 223.832 268.522 252.581 1.00 0.00 C +ATOM 13 CA TYR A 13 226.806 270.728 253.477 1.00 0.00 C +ATOM 14 CA GLN A 14 228.747 273.938 254.146 1.00 0.00 C +ATOM 15 CA ILE A 15 230.113 277.469 253.718 1.00 0.00 C +ATOM 16 CA GLY A 16 231.420 278.851 257.019 1.00 0.00 C +ATOM 17 CA ILE A 17 234.356 278.207 259.360 1.00 0.00 C +ATOM 18 CA SER A 18 236.400 277.095 262.378 1.00 0.00 C +ATOM 19 CA GLU A 19 239.813 276.078 261.024 1.00 0.00 C +ATOM 20 CA SER A 20 243.520 276.671 260.371 1.00 0.00 C +ATOM 21 CA ASP A 21 245.011 273.241 259.644 1.00 0.00 C +ATOM 22 CA ALA A 22 248.015 272.550 261.884 1.00 0.00 C +ATOM 23 CA ALA A 23 249.738 273.260 265.207 1.00 0.00 C +ATOM 24 CA THR A 24 252.664 270.991 266.105 1.00 0.00 C +ATOM 25 CA LEU A 25 256.366 270.147 266.424 1.00 0.00 C +ATOM 26 CA GLN A 26 257.807 269.271 263.008 1.00 0.00 C +ATOM 27 CA ARG A 27 258.103 268.678 259.256 1.00 0.00 C +ATOM 28 CA GLN A 28 256.814 265.785 257.139 1.00 0.00 C +ATOM 29 CA GLY A 29 256.827 262.779 259.480 1.00 0.00 C +ATOM 30 CA ASN A 30 254.577 262.284 262.515 1.00 0.00 C +ATOM 31 CA ALA A 31 252.343 260.962 265.303 1.00 0.00 C +ATOM 32 CA SER A 32 252.497 257.164 265.037 1.00 0.00 C +ATOM 33 CA GLY A 33 253.989 255.299 262.069 1.00 0.00 C +ATOM 34 CA GLU A 34 255.838 254.728 258.787 1.00 0.00 C +ATOM 35 CA ARG A 35 253.609 253.937 255.799 1.00 0.00 C +ATOM 36 CA ARG A 36 250.798 251.609 256.894 1.00 0.00 C +ATOM 37 CA GLY A 37 249.690 248.416 258.653 1.00 0.00 C +ATOM 38 CA LYS A 38 250.732 245.025 260.042 1.00 0.00 C +ATOM 39 CA THR A 39 250.470 241.856 262.141 1.00 0.00 C +ATOM 40 CA TYR A 40 251.314 238.895 264.385 1.00 0.00 C +ATOM 41 CA GLY A 41 251.720 235.405 262.912 1.00 0.00 C +ATOM 42 CA ALA A 42 251.897 232.072 264.751 1.00 0.00 C +ATOM 43 CA GLU A 43 249.925 229.268 263.089 1.00 0.00 C +ATOM 44 CA ALA A 44 246.382 227.978 262.543 1.00 0.00 C +ATOM 45 CA TYR A 45 245.438 225.086 260.250 1.00 0.00 C +ATOM 46 CA ARG A 46 245.736 222.541 257.430 1.00 0.00 C +ATOM 47 CA LEU A 47 247.575 224.155 254.509 1.00 0.00 C +ATOM 48 CA PRO A 48 246.444 227.704 253.705 1.00 0.00 C +ATOM 49 CA ASN A 49 243.508 229.407 251.975 1.00 0.00 C +ATOM 50 CA ALA A 50 242.528 230.653 248.510 1.00 0.00 C +ATOM 51 CA GLN A 51 241.102 234.151 249.006 1.00 0.00 C +ATOM 52 CA GLU A 52 238.938 235.976 251.556 1.00 0.00 C +ATOM 53 CA GLU A 53 235.568 237.741 251.356 1.00 0.00 C +ATOM 54 CA GLY A 54 234.489 239.987 248.473 1.00 0.00 C +ATOM 55 CA ASN A 55 236.308 239.844 245.129 1.00 0.00 C +ATOM 56 CA LEU A 56 240.089 239.642 244.706 1.00 0.00 C +ATOM 57 CA SER A 57 242.888 239.997 242.145 1.00 0.00 C +ATOM 58 CA ASN A 58 243.944 236.701 240.551 1.00 0.00 C +ATOM 59 CA ALA A 59 245.867 233.439 240.963 1.00 0.00 C +ATOM 60 CA GLY A 60 249.086 233.906 238.979 1.00 0.00 C +ATOM 61 CA ASN A 61 252.300 233.339 240.944 1.00 0.00 C +ATOM 62 CA ALA A 62 255.760 234.935 240.959 1.00 0.00 C +ATOM 63 CA SER A 63 259.429 235.956 241.077 1.00 0.00 C +ATOM 64 CA ALA A 64 263.133 235.714 240.220 1.00 0.00 C +ATOM 65 CA GLU A 65 266.673 236.702 239.215 1.00 0.00 C +ATOM 66 CA ARG A 66 269.161 235.738 236.495 1.00 0.00 C +ATOM 67 CA ARG A 67 268.078 237.657 233.387 1.00 0.00 C +ATOM 68 CA LYS A 68 265.286 239.963 232.200 1.00 0.00 C +ATOM 69 CA HIS A 69 265.817 243.186 230.239 1.00 0.00 C +ATOM 70 CA VAL A 70 268.921 245.165 229.257 1.00 0.00 C +ATOM 71 CA THR A 71 271.809 247.527 230.027 1.00 0.00 C +ATOM 72 CA GLU A 72 275.095 247.361 228.106 1.00 0.00 C +ATOM 73 CA ASN A 73 278.878 247.504 228.538 1.00 0.00 C +ATOM 74 CA ILE A 74 282.522 247.267 227.455 1.00 0.00 C +ATOM 75 CA SER A 75 283.128 245.047 224.418 1.00 0.00 C +ATOM 76 CA ASN A 76 281.856 242.060 222.425 1.00 0.00 C +ATOM 77 CA GLN A 77 283.173 238.487 222.296 1.00 0.00 C +ATOM 78 CA TYR A 78 285.877 237.294 224.701 1.00 0.00 C +ATOM 79 CA ARG A 79 285.849 238.809 228.196 1.00 0.00 C +ATOM 80 CA THR A 80 288.506 237.828 230.745 1.00 0.00 C +ATOM 81 CA SER A 81 291.134 237.639 233.497 1.00 0.00 C +ATOM 82 CA SER A 82 292.160 235.405 236.408 1.00 0.00 C +ATOM 83 CA GLY A 83 291.910 231.639 235.889 1.00 0.00 C +TER 84 GLY A 83 +END diff --git a/Fungi/A0A319ESZ0/A0A319ESZ0.dcd b/Fungi/A0A319ESZ0/A0A319ESZ0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..2dda53891a03b83c04cebeef6ebc6e53396232e6 --- /dev/null +++ b/Fungi/A0A319ESZ0/A0A319ESZ0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d4a75b20c109427e2a778cb1630e138ab4fe239090d6e4b792c27a82cd7c1d0f +size 10640276 diff --git a/Fungi/A0A319ESZ0/top.pdb b/Fungi/A0A319ESZ0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ebf26c27fc0d7378ddc814d0d4e0addfd706ae6f --- /dev/null +++ b/Fungi/A0A319ESZ0/top.pdb @@ -0,0 +1,86 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 235.391 281.148 228.465 1.00 0.00 C +ATOM 2 CA ALA A 2 238.704 281.553 226.627 1.00 0.00 C +ATOM 3 CA ASP A 3 242.098 280.448 225.295 1.00 0.00 C +ATOM 4 CA ASP A 4 244.111 278.971 228.173 1.00 0.00 C +ATOM 5 CA ASN A 5 241.487 277.479 230.498 1.00 0.00 C +ATOM 6 CA TRP A 6 242.418 273.967 231.643 1.00 0.00 C +ATOM 7 CA TRP A 7 240.801 270.548 232.105 1.00 0.00 C +ATOM 8 CA ASP A 8 237.688 268.399 232.561 1.00 0.00 C +ATOM 9 CA THR A 9 237.887 264.656 231.876 1.00 0.00 C +ATOM 10 CA ARG A 10 239.384 261.611 230.142 1.00 0.00 C +ATOM 11 CA ARG A 11 242.199 260.364 232.385 1.00 0.00 C +ATOM 12 CA PRO A 12 245.304 258.283 233.126 1.00 0.00 C +ATOM 13 CA ASN A 13 248.840 258.315 231.707 1.00 0.00 C +ATOM 14 CA SER A 14 252.533 259.006 232.341 1.00 0.00 C +ATOM 15 CA HIS A 15 254.765 261.900 233.417 1.00 0.00 C +ATOM 16 CA ARG A 16 255.914 260.984 236.932 1.00 0.00 C +ATOM 17 CA SER A 17 257.968 260.916 240.140 1.00 0.00 C +ATOM 18 CA ARG A 18 258.694 263.973 242.294 1.00 0.00 C +ATOM 19 CA GLN A 19 257.630 266.683 244.752 1.00 0.00 C +ATOM 20 CA LYS A 20 257.412 269.595 247.199 1.00 0.00 C +ATOM 21 CA MET A 21 256.422 272.345 249.643 1.00 0.00 C +ATOM 22 CA LYS A 22 256.302 274.288 252.918 1.00 0.00 C +ATOM 23 CA ALA A 23 255.196 272.255 255.945 1.00 0.00 C +ATOM 24 CA ASP A 24 255.398 268.531 255.165 1.00 0.00 C +ATOM 25 CA GLY A 25 253.784 266.746 258.119 1.00 0.00 C +ATOM 26 CA ARG A 26 250.910 267.781 260.395 1.00 0.00 C +ATOM 27 CA LYS A 27 247.111 267.907 260.657 1.00 0.00 C +ATOM 28 CA ARG A 28 244.831 270.947 260.384 1.00 0.00 C +ATOM 29 CA GLY A 29 244.718 272.260 256.809 1.00 0.00 C +ATOM 30 CA GLU A 30 243.954 275.992 256.776 1.00 0.00 C +ATOM 31 CA SER A 31 242.014 278.091 259.295 1.00 0.00 C +ATOM 32 CA ARG A 32 239.029 277.218 261.496 1.00 0.00 C +ATOM 33 CA ARG A 33 237.935 277.969 265.068 1.00 0.00 C +ATOM 34 CA LYS A 34 236.817 280.944 267.170 1.00 0.00 C +ATOM 35 CA GLU A 35 237.000 282.458 270.662 1.00 0.00 C +ATOM 36 CA MET A 36 239.928 283.780 272.710 1.00 0.00 C +ATOM 37 CA GLY A 37 243.736 283.708 272.635 1.00 0.00 C +ATOM 38 CA PHE A 38 246.097 281.007 271.352 1.00 0.00 C +ATOM 39 CA GLU A 39 246.277 277.202 271.432 1.00 0.00 C +ATOM 40 CA ARG A 40 246.057 273.610 272.684 1.00 0.00 C +ATOM 41 CA ARG A 41 246.220 270.539 270.435 1.00 0.00 C +ATOM 42 CA SER A 42 243.291 269.456 268.252 1.00 0.00 C +ATOM 43 CA ALA A 43 243.588 266.164 266.358 1.00 0.00 C +ATOM 44 CA ALA A 44 245.175 263.211 264.546 1.00 0.00 C +ATOM 45 CA ASP A 45 244.159 259.550 264.261 1.00 0.00 C +ATOM 46 CA ARG A 46 246.460 257.498 262.022 1.00 0.00 C +ATOM 47 CA HIS A 47 248.315 254.568 260.445 1.00 0.00 C +ATOM 48 CA SER A 48 247.362 250.890 260.164 1.00 0.00 C +ATOM 49 CA HIS A 49 246.008 247.379 260.759 1.00 0.00 C +ATOM 50 CA GLU A 50 248.674 245.185 262.370 1.00 0.00 C +ATOM 51 CA ILE A 51 251.388 242.673 261.452 1.00 0.00 C +ATOM 52 CA ARG A 52 251.106 239.772 258.998 1.00 0.00 C +ATOM 53 CA SER A 53 252.131 238.503 255.555 1.00 0.00 C +ATOM 54 CA ILE A 54 253.452 235.102 254.457 1.00 0.00 C +ATOM 55 CA PHE A 55 252.762 233.683 250.989 1.00 0.00 C +ATOM 56 CA LEU A 56 250.904 233.170 247.703 1.00 0.00 C +ATOM 57 CA GLN A 57 252.448 232.798 244.240 1.00 0.00 C +ATOM 58 CA PRO A 58 250.308 231.018 241.639 1.00 0.00 C +ATOM 59 CA ALA A 59 246.575 230.267 241.780 1.00 0.00 C +ATOM 60 CA LEU A 60 242.983 231.349 241.114 1.00 0.00 C +ATOM 61 CA PRO A 61 241.550 230.737 237.637 1.00 0.00 C +ATOM 62 CA SER A 62 243.044 230.647 234.134 1.00 0.00 C +ATOM 63 CA ARG A 63 244.917 227.454 233.230 1.00 0.00 C +ATOM 64 CA SER A 64 246.725 224.203 234.051 1.00 0.00 C +ATOM 65 CA THR A 65 249.250 222.022 235.891 1.00 0.00 C +ATOM 66 CA SER A 66 250.894 219.329 238.027 1.00 0.00 C +ATOM 67 CA GLY A 67 250.419 220.374 241.660 1.00 0.00 C +ATOM 68 CA LYS A 68 251.735 219.993 245.215 1.00 0.00 C +ATOM 69 CA ILE A 69 255.066 218.434 246.210 1.00 0.00 C +ATOM 70 CA LEU A 70 258.683 218.449 247.406 1.00 0.00 C +ATOM 71 CA ILE A 71 259.904 214.843 247.272 1.00 0.00 C +ATOM 72 CA PRO A 72 259.211 212.178 249.905 1.00 0.00 C +ATOM 73 CA THR A 73 261.018 209.270 251.576 1.00 0.00 C +ATOM 74 CA GLY A 74 262.177 205.670 251.116 1.00 0.00 C +ATOM 75 CA LYS A 75 259.756 203.043 252.442 1.00 0.00 C +ATOM 76 CA TYR A 76 260.899 202.179 255.972 1.00 0.00 C +ATOM 77 CA SER A 77 263.588 199.512 255.558 1.00 0.00 C +ATOM 78 CA PRO A 78 266.871 201.087 256.679 1.00 0.00 C +ATOM 79 CA THR A 79 270.419 202.030 255.662 1.00 0.00 C +ATOM 80 CA ARG A 80 273.018 204.790 255.281 1.00 0.00 C +ATOM 81 CA LEU A 81 274.939 207.354 257.344 1.00 0.00 C +ATOM 82 CA GLU A 82 277.868 209.787 257.204 1.00 0.00 C +TER 83 GLU A 82 +END diff --git a/Fungi/A0A364NFD4/A0A364NFD4.dcd b/Fungi/A0A364NFD4/A0A364NFD4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..712c2cadafecb49fdfa5e2571d5e8596bbaa6187 --- /dev/null +++ b/Fungi/A0A364NFD4/A0A364NFD4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e994bf961f8607ac6968a3bdcc20801fbf268240955e11d7637a65e8276de6be +size 20840276 diff --git a/Fungi/A0A364NFD4/top.pdb b/Fungi/A0A364NFD4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8d63cce553588b172a3841279a804882f609ebab --- /dev/null +++ b/Fungi/A0A364NFD4/top.pdb @@ -0,0 +1,171 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 244.073 275.300 230.330 1.00 0.00 C +ATOM 2 CA ALA A 2 241.099 277.515 231.207 1.00 0.00 C +ATOM 3 CA TYR A 3 237.799 279.252 230.429 1.00 0.00 C +ATOM 4 CA GLY A 4 236.930 278.647 226.769 1.00 0.00 C +ATOM 5 CA ARG A 5 234.468 280.236 224.334 1.00 0.00 C +ATOM 6 CA GLY A 6 233.664 280.501 220.619 1.00 0.00 C +ATOM 7 CA GLY A 7 235.441 279.791 217.325 1.00 0.00 C +ATOM 8 CA ALA A 8 238.917 281.351 217.310 1.00 0.00 C +ATOM 9 CA GLY A 9 240.056 282.011 213.735 1.00 0.00 C +ATOM 10 CA ASN A 10 237.830 283.862 211.258 1.00 0.00 C +ATOM 11 CA TYR A 11 237.050 281.436 208.426 1.00 0.00 C +ATOM 12 CA TYR A 12 234.406 282.537 205.913 1.00 0.00 C +ATOM 13 CA ALA A 13 235.131 286.156 204.969 1.00 0.00 C +ATOM 14 CA ALA A 14 236.156 286.244 201.301 1.00 0.00 C +ATOM 15 CA LYS A 15 239.804 285.449 200.541 1.00 0.00 C +ATOM 16 CA GLU A 16 242.585 283.547 198.763 1.00 0.00 C +ATOM 17 CA GLU A 17 243.714 283.096 195.152 1.00 0.00 C +ATOM 18 CA SER A 18 246.741 283.895 192.981 1.00 0.00 C +ATOM 19 CA LYS A 19 249.022 286.921 192.588 1.00 0.00 C +ATOM 20 CA LYS A 20 252.581 286.291 193.791 1.00 0.00 C +ATOM 21 CA ALA A 21 253.666 289.517 195.504 1.00 0.00 C +ATOM 22 CA ALA A 22 253.084 293.213 194.785 1.00 0.00 C +ATOM 23 CA GLU A 23 253.765 296.613 193.207 1.00 0.00 C +ATOM 24 CA ASP A 24 256.444 299.321 193.286 1.00 0.00 C +ATOM 25 CA VAL A 25 259.723 297.893 194.599 1.00 0.00 C +ATOM 26 CA GLU A 26 261.190 299.119 197.895 1.00 0.00 C +ATOM 27 CA ALA A 27 261.310 298.937 201.699 1.00 0.00 C +ATOM 28 CA ASN A 28 260.630 299.389 205.420 1.00 0.00 C +ATOM 29 CA ARG A 29 262.795 298.743 208.488 1.00 0.00 C +ATOM 30 CA SER A 30 260.949 297.132 211.406 1.00 0.00 C +ATOM 31 CA ALA A 31 260.215 298.273 214.967 1.00 0.00 C +ATOM 32 CA SER A 32 262.465 298.105 218.037 1.00 0.00 C +ATOM 33 CA THR A 33 261.801 297.654 221.761 1.00 0.00 C +ATOM 34 CA ALA A 34 258.472 297.769 223.612 1.00 0.00 C +ATOM 35 CA ALA A 35 256.955 301.249 223.936 1.00 0.00 C +ATOM 36 CA SER A 36 255.726 302.132 227.432 1.00 0.00 C +ATOM 37 CA ALA A 37 252.676 303.486 229.271 1.00 0.00 C +ATOM 38 CA SER A 38 250.332 306.400 228.542 1.00 0.00 C +ATOM 39 CA HIS A 39 248.186 309.509 228.049 1.00 0.00 C +ATOM 40 CA SER A 40 244.515 308.557 228.411 1.00 0.00 C +ATOM 41 CA SER A 41 241.063 308.308 226.817 1.00 0.00 C +ATOM 42 CA THR A 42 239.856 305.853 224.165 1.00 0.00 C +ATOM 43 CA THR A 43 237.713 303.378 226.114 1.00 0.00 C +ATOM 44 CA ALA A 44 238.925 302.727 229.666 1.00 0.00 C +ATOM 45 CA GLN A 45 241.584 303.444 232.300 1.00 0.00 C +ATOM 46 CA PRO A 46 240.852 304.524 235.880 1.00 0.00 C +ATOM 47 CA SER A 47 243.324 303.716 238.664 1.00 0.00 C +ATOM 48 CA ASN A 48 242.828 303.703 242.441 1.00 0.00 C +ATOM 49 CA ALA A 49 244.528 302.759 245.717 1.00 0.00 C +ATOM 50 CA SER A 50 245.982 301.992 249.155 1.00 0.00 C +ATOM 51 CA GLN A 51 248.439 299.120 248.670 1.00 0.00 C +ATOM 52 CA ASP A 52 250.369 298.826 245.398 1.00 0.00 C +ATOM 53 CA TYR A 53 249.524 295.366 244.046 1.00 0.00 C +ATOM 54 CA ALA A 54 249.635 292.135 242.029 1.00 0.00 C +ATOM 55 CA HIS A 55 248.975 288.522 243.042 1.00 0.00 C +ATOM 56 CA MET A 56 246.364 285.915 242.093 1.00 0.00 C +ATOM 57 CA GLY A 57 244.417 282.663 242.477 1.00 0.00 C +ATOM 58 CA ARG A 58 244.045 279.932 239.847 1.00 0.00 C +ATOM 59 CA GLY A 59 242.160 281.537 236.951 1.00 0.00 C +ATOM 60 CA GLY A 60 238.742 282.873 237.976 1.00 0.00 C +ATOM 61 CA ALA A 61 236.337 279.934 237.666 1.00 0.00 C +ATOM 62 CA GLY A 62 233.114 278.803 239.355 1.00 0.00 C +ATOM 63 CA ASN A 63 230.502 276.149 238.550 1.00 0.00 C +ATOM 64 CA TRP A 64 227.421 274.344 237.222 1.00 0.00 C +ATOM 65 CA TYR A 65 227.082 274.300 233.427 1.00 0.00 C +ATOM 66 CA GLN A 66 229.278 276.269 231.016 1.00 0.00 C +ATOM 67 CA PRO A 67 229.808 278.266 227.815 1.00 0.00 C +ATOM 68 CA THR A 68 226.902 278.330 225.351 1.00 0.00 C +ATOM 69 CA GLU A 69 223.208 279.136 224.882 1.00 0.00 C +ATOM 70 CA LEU A 70 221.365 277.179 227.582 1.00 0.00 C +ATOM 71 CA GLN A 71 221.906 277.581 231.332 1.00 0.00 C +ATOM 72 CA LYS A 72 220.084 277.470 234.676 1.00 0.00 C +ATOM 73 CA ASP A 73 221.158 276.721 238.255 1.00 0.00 C +ATOM 74 CA GLY A 74 218.513 274.473 239.825 1.00 0.00 C +ATOM 75 CA THR A 75 217.095 274.337 243.359 1.00 0.00 C +ATOM 76 CA PHE A 76 215.900 273.760 246.930 1.00 0.00 C +ATOM 77 CA THR A 77 218.962 272.373 248.722 1.00 0.00 C +ATOM 78 CA GLN A 78 222.691 273.114 248.969 1.00 0.00 C +ATOM 79 CA PRO A 79 226.236 274.086 249.971 1.00 0.00 C +ATOM 80 CA VAL A 80 226.583 273.865 253.759 1.00 0.00 C +ATOM 81 CA ASP A 81 226.344 270.731 255.912 1.00 0.00 C +ATOM 82 CA SER A 82 228.621 269.610 258.754 1.00 0.00 C +ATOM 83 CA THR A 83 230.256 266.180 259.032 1.00 0.00 C +ATOM 84 CA ALA A 84 230.772 263.978 262.098 1.00 0.00 C +ATOM 85 CA ILE A 85 234.085 263.622 263.945 1.00 0.00 C +ATOM 86 CA PRO A 86 237.610 263.283 265.352 1.00 0.00 C +ATOM 87 CA THR A 87 239.196 260.354 267.202 1.00 0.00 C +ATOM 88 CA SER A 88 240.003 259.036 270.684 1.00 0.00 C +ATOM 89 CA SER A 89 239.593 255.457 271.925 1.00 0.00 C +ATOM 90 CA LYS A 90 241.596 253.133 269.666 1.00 0.00 C +ATOM 91 CA PRO A 91 241.501 249.401 270.429 1.00 0.00 C +ATOM 92 CA GLN A 92 238.288 247.410 269.954 1.00 0.00 C +ATOM 93 CA ILE A 93 235.380 244.948 269.903 1.00 0.00 C +ATOM 94 CA SER A 94 232.912 245.435 267.042 1.00 0.00 C +ATOM 95 CA THR A 95 230.849 242.283 266.472 1.00 0.00 C +ATOM 96 CA PRO A 96 228.418 239.418 267.104 1.00 0.00 C +ATOM 97 CA TRP A 97 228.404 238.079 270.671 1.00 0.00 C +ATOM 98 CA HIS A 98 227.209 240.704 273.161 1.00 0.00 C +ATOM 99 CA PRO A 99 228.869 242.673 275.969 1.00 0.00 C +ATOM 100 CA GLU A 100 230.356 245.058 278.541 1.00 0.00 C +ATOM 101 CA GLY A 101 233.556 245.118 280.607 1.00 0.00 C +ATOM 102 CA GLN A 102 234.578 246.149 284.130 1.00 0.00 C +ATOM 103 CA GLU A 103 237.281 245.593 286.757 1.00 0.00 C +ATOM 104 CA LEU A 104 240.789 245.704 288.239 1.00 0.00 C +ATOM 105 CA PRO A 105 243.028 243.532 286.051 1.00 0.00 C +ATOM 106 CA VAL A 106 240.706 241.076 284.292 1.00 0.00 C +ATOM 107 CA ALA A 107 239.372 242.887 281.217 1.00 0.00 C +ATOM 108 CA ARG A 108 240.382 243.966 277.706 1.00 0.00 C +ATOM 109 CA SER A 109 243.983 245.212 277.736 1.00 0.00 C +ATOM 110 CA GLY A 110 247.061 246.563 275.942 1.00 0.00 C +ATOM 111 CA ARG A 111 250.325 248.365 275.160 1.00 0.00 C +ATOM 112 CA GLY A 112 253.219 247.998 272.709 1.00 0.00 C +ATOM 113 CA GLY A 113 253.128 244.689 270.822 1.00 0.00 C +ATOM 114 CA ALA A 114 249.966 242.881 271.938 1.00 0.00 C +ATOM 115 CA GLY A 115 247.936 239.660 272.090 1.00 0.00 C +ATOM 116 CA ASN A 116 248.281 235.874 271.831 1.00 0.00 C +ATOM 117 CA PHE A 117 249.298 233.811 268.793 1.00 0.00 C +ATOM 118 CA VAL A 118 251.700 230.855 268.788 1.00 0.00 C +ATOM 119 CA TRP A 119 254.812 229.622 270.608 1.00 0.00 C +ATOM 120 CA LYS A 120 257.341 229.930 273.441 1.00 0.00 C +ATOM 121 CA SER A 121 260.041 227.382 274.300 1.00 0.00 C +ATOM 122 CA GLU A 122 261.164 224.537 272.030 1.00 0.00 C +ATOM 123 CA GLU A 123 264.178 222.310 272.718 1.00 0.00 C +ATOM 124 CA GLN A 124 266.566 219.460 273.546 1.00 0.00 C +ATOM 125 CA LYS A 125 264.983 216.025 273.088 1.00 0.00 C +ATOM 126 CA GLU A 126 265.646 212.900 271.011 1.00 0.00 C +ATOM 127 CA LYS A 127 265.645 210.017 273.502 1.00 0.00 C +ATOM 128 CA ASP A 128 266.369 210.484 277.214 1.00 0.00 C +ATOM 129 CA ARG A 129 268.240 207.337 278.266 1.00 0.00 C +ATOM 130 CA GLU A 130 270.496 204.850 276.465 1.00 0.00 C +ATOM 131 CA ALA A 131 271.360 206.303 273.051 1.00 0.00 C +ATOM 132 CA GLU A 132 270.291 205.824 269.425 1.00 0.00 C +ATOM 133 CA GLU A 133 272.629 205.357 266.454 1.00 0.00 C +ATOM 134 CA ALA A 134 271.884 202.579 263.955 1.00 0.00 C +ATOM 135 CA LYS A 135 269.920 203.399 260.794 1.00 0.00 C +ATOM 136 CA LYS A 136 269.153 202.281 257.234 1.00 0.00 C +ATOM 137 CA GLU A 137 268.438 198.542 257.395 1.00 0.00 C +ATOM 138 CA ALA A 138 270.253 195.366 256.330 1.00 0.00 C +ATOM 139 CA LEU A 139 271.049 192.190 258.278 1.00 0.00 C +ATOM 140 CA ARG A 140 270.320 188.851 256.594 1.00 0.00 C +ATOM 141 CA GLU A 141 272.933 186.350 257.793 1.00 0.00 C +ATOM 142 CA LYS A 142 275.196 187.207 260.736 1.00 0.00 C +ATOM 143 CA ALA A 143 275.085 189.331 263.897 1.00 0.00 C +ATOM 144 CA GLU A 144 272.099 190.985 265.589 1.00 0.00 C +ATOM 145 CA ARG A 145 269.948 188.712 267.763 1.00 0.00 C +ATOM 146 CA SER A 146 267.343 185.959 268.149 1.00 0.00 C +ATOM 147 CA VAL A 147 267.853 182.210 267.700 1.00 0.00 C +ATOM 148 CA GLU A 148 271.097 180.957 266.142 1.00 0.00 C +ATOM 149 CA ALA A 149 272.987 177.813 267.171 1.00 0.00 C +ATOM 150 CA GLY A 150 273.593 174.245 268.364 1.00 0.00 C +ATOM 151 CA LEU A 151 272.372 172.975 271.742 1.00 0.00 C +ATOM 152 CA THR A 152 272.481 169.408 273.076 1.00 0.00 C +ATOM 153 CA LYS A 153 274.244 167.913 276.105 1.00 0.00 C +ATOM 154 CA PRO A 154 273.890 167.073 279.804 1.00 0.00 C +ATOM 155 CA PRO A 155 277.304 167.628 281.402 1.00 0.00 C +ATOM 156 CA GLY A 156 280.677 166.131 282.351 1.00 0.00 C +ATOM 157 CA ALA A 157 283.656 163.884 281.582 1.00 0.00 C +ATOM 158 CA LEU A 158 286.587 163.868 284.017 1.00 0.00 C +ATOM 159 CA LEU A 159 289.110 161.566 285.706 1.00 0.00 C +ATOM 160 CA GLY A 160 289.277 160.466 289.349 1.00 0.00 C +ATOM 161 CA ARG A 161 286.723 162.561 291.248 1.00 0.00 C +ATOM 162 CA VAL A 162 283.695 163.763 289.273 1.00 0.00 C +ATOM 163 CA THR A 163 281.368 161.010 288.039 1.00 0.00 C +ATOM 164 CA GLU A 164 279.651 158.873 290.685 1.00 0.00 C +ATOM 165 CA LYS A 165 281.762 157.570 293.577 1.00 0.00 C +ATOM 166 CA ASP A 166 282.601 154.586 295.792 1.00 0.00 C +ATOM 167 CA TRP A 167 285.004 155.854 298.463 1.00 0.00 C +TER 168 TRP A 167 +END diff --git a/Fungi/A0A367L139/A0A367L139.dcd b/Fungi/A0A367L139/A0A367L139.dcd new file mode 100644 index 0000000000000000000000000000000000000000..5c911d8032fd5409aa69400d43c5d4acc9273b76 --- /dev/null +++ b/Fungi/A0A367L139/A0A367L139.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:91af156d24907288ca2a3961e4fff8d55fd90cc44c34dc8d00504f7a42d29f4a +size 12920276 diff --git a/Fungi/A0A367L139/top.pdb b/Fungi/A0A367L139/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..62b8e220aa0efe554f548b462ce4c39117cc7423 --- /dev/null +++ b/Fungi/A0A367L139/top.pdb @@ -0,0 +1,105 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 264.668 257.562 221.654 1.00 0.00 C +ATOM 2 CA ASP A 2 261.798 255.570 223.175 1.00 0.00 C +ATOM 3 CA SER A 3 261.267 254.377 226.754 1.00 0.00 C +ATOM 4 CA TRP A 4 261.443 256.397 229.980 1.00 0.00 C +ATOM 5 CA SER A 5 262.009 255.986 233.725 1.00 0.00 C +ATOM 6 CA MET A 6 258.937 254.506 235.423 1.00 0.00 C +ATOM 7 CA ASP A 7 255.535 254.185 237.110 1.00 0.00 C +ATOM 8 CA ILE A 8 251.892 254.506 236.045 1.00 0.00 C +ATOM 9 CA ARG A 9 249.070 253.691 233.618 1.00 0.00 C +ATOM 10 CA PRO A 10 249.554 252.023 230.227 1.00 0.00 C +ATOM 11 CA CYS A 11 247.611 251.268 227.038 1.00 0.00 C +ATOM 12 CA PRO A 12 244.883 250.025 224.687 1.00 0.00 C +ATOM 13 CA PRO A 13 242.894 253.004 223.389 1.00 0.00 C +ATOM 14 CA HIS A 14 239.655 253.617 225.300 1.00 0.00 C +ATOM 15 CA PRO A 15 239.305 254.077 229.066 1.00 0.00 C +ATOM 16 CA GLY A 16 238.958 250.817 231.007 1.00 0.00 C +ATOM 17 CA PRO A 17 236.902 247.803 229.911 1.00 0.00 C +ATOM 18 CA ARG A 18 238.711 244.520 229.229 1.00 0.00 C +ATOM 19 CA VAL A 19 241.419 243.145 231.530 1.00 0.00 C +ATOM 20 CA LYS A 20 243.312 239.858 231.176 1.00 0.00 C +ATOM 21 CA ALA A 21 242.370 236.212 231.757 1.00 0.00 C +ATOM 22 CA PRO A 22 242.472 232.882 229.908 1.00 0.00 C +ATOM 23 CA GLY A 23 240.545 230.064 228.217 1.00 0.00 C +ATOM 24 CA LYS A 24 237.421 230.572 226.096 1.00 0.00 C +ATOM 25 CA VAL A 25 233.824 229.508 226.764 1.00 0.00 C +ATOM 26 CA GLN A 26 232.058 230.990 229.798 1.00 0.00 C +ATOM 27 CA LYS A 27 230.182 232.820 232.563 1.00 0.00 C +ATOM 28 CA ILE A 28 230.266 236.380 233.917 1.00 0.00 C +ATOM 29 CA ARG A 29 232.137 239.472 235.124 1.00 0.00 C +ATOM 30 CA ARG A 30 229.747 241.748 237.028 1.00 0.00 C +ATOM 31 CA ARG A 31 230.049 245.384 235.930 1.00 0.00 C +ATOM 32 CA ALA A 32 232.389 248.204 236.974 1.00 0.00 C +ATOM 33 CA ALA A 33 232.277 249.655 240.495 1.00 0.00 C +ATOM 34 CA GLU A 34 230.684 252.834 241.864 1.00 0.00 C +ATOM 35 CA GLU A 35 227.325 252.418 243.613 1.00 0.00 C +ATOM 36 CA ARG A 36 227.494 249.221 245.679 1.00 0.00 C +ATOM 37 CA GLU A 37 229.038 247.404 248.651 1.00 0.00 C +ATOM 38 CA GLY A 38 228.411 245.934 252.110 1.00 0.00 C +ATOM 39 CA GLU A 39 228.682 247.141 255.713 1.00 0.00 C +ATOM 40 CA TRP A 40 232.229 248.464 256.137 1.00 0.00 C +ATOM 41 CA THR A 41 232.893 251.582 254.050 1.00 0.00 C +ATOM 42 CA SER A 42 231.918 254.642 256.101 1.00 0.00 C +ATOM 43 CA ARG A 43 232.041 253.759 259.805 1.00 0.00 C +ATOM 44 CA GLY A 44 234.859 254.424 262.282 1.00 0.00 C +ATOM 45 CA GLY A 45 237.476 251.676 261.943 1.00 0.00 C +ATOM 46 CA ARG A 46 240.290 251.837 264.507 1.00 0.00 C +ATOM 47 CA PRO A 47 243.183 251.281 266.924 1.00 0.00 C +ATOM 48 CA GLY A 48 242.456 249.965 270.425 1.00 0.00 C +ATOM 49 CA GLY A 49 240.638 246.777 271.449 1.00 0.00 C +ATOM 50 CA ASP A 50 237.297 247.506 273.128 1.00 0.00 C +ATOM 51 CA ARG A 51 234.702 248.171 270.419 1.00 0.00 C +ATOM 52 CA GLY A 52 231.099 247.877 269.213 1.00 0.00 C +ATOM 53 CA GLU A 53 229.147 246.080 266.479 1.00 0.00 C +ATOM 54 CA THR A 54 230.367 243.310 264.166 1.00 0.00 C +ATOM 55 CA GLY A 55 233.030 244.245 261.606 1.00 0.00 C +ATOM 56 CA GLY A 56 236.344 244.165 259.727 1.00 0.00 C +ATOM 57 CA LEU A 57 239.656 244.888 257.988 1.00 0.00 C +ATOM 58 CA ARG A 58 242.306 243.908 260.544 1.00 0.00 C +ATOM 59 CA TRP A 59 241.494 245.698 263.808 1.00 0.00 C +ATOM 60 CA SER A 60 238.573 244.035 265.602 1.00 0.00 C +ATOM 61 CA ARG A 61 237.526 240.412 266.146 1.00 0.00 C +ATOM 62 CA ILE A 62 236.780 237.760 268.778 1.00 0.00 C +ATOM 63 CA MET A 63 237.373 235.022 271.361 1.00 0.00 C +ATOM 64 CA HIS A 64 238.311 234.888 275.051 1.00 0.00 C +ATOM 65 CA HIS A 65 239.430 237.075 277.964 1.00 0.00 C +ATOM 66 CA ALA A 66 242.762 238.879 278.364 1.00 0.00 C +ATOM 67 CA SER A 67 246.278 240.156 279.086 1.00 0.00 C +ATOM 68 CA ARG A 68 250.027 239.723 278.567 1.00 0.00 C +ATOM 69 CA ILE A 69 250.785 240.988 275.054 1.00 0.00 C +ATOM 70 CA ILE A 70 249.836 244.301 273.429 1.00 0.00 C +ATOM 71 CA GLN A 71 252.318 245.441 270.772 1.00 0.00 C +ATOM 72 CA ILE A 72 254.152 244.223 267.663 1.00 0.00 C +ATOM 73 CA LYS A 73 257.844 245.048 268.113 1.00 0.00 C +ATOM 74 CA ASP A 74 259.715 243.618 265.117 1.00 0.00 C +ATOM 75 CA PRO A 75 258.668 243.850 261.462 1.00 0.00 C +ATOM 76 CA GLY A 76 259.986 246.469 259.029 1.00 0.00 C +ATOM 77 CA PRO A 77 262.263 246.738 255.986 1.00 0.00 C +ATOM 78 CA ARG A 78 263.677 249.361 253.611 1.00 0.00 C +ATOM 79 CA THR A 79 266.579 247.612 251.868 1.00 0.00 C +ATOM 80 CA PRO A 80 269.988 248.814 250.665 1.00 0.00 C +ATOM 81 CA THR A 81 269.468 252.345 249.331 1.00 0.00 C +ATOM 82 CA HIS A 82 267.467 255.001 247.472 1.00 0.00 C +ATOM 83 CA HIS A 83 266.457 257.346 244.644 1.00 0.00 C +ATOM 84 CA ASP A 84 264.268 260.266 245.739 1.00 0.00 C +ATOM 85 CA ILE A 85 264.733 262.957 248.396 1.00 0.00 C +ATOM 86 CA GLN A 86 267.837 263.274 250.582 1.00 0.00 C +ATOM 87 CA ASP A 87 270.886 264.924 252.163 1.00 0.00 C +ATOM 88 CA GLU A 88 270.525 268.716 252.075 1.00 0.00 C +ATOM 89 CA GLN A 89 273.328 271.250 252.563 1.00 0.00 C +ATOM 90 CA ALA A 90 276.245 270.556 250.212 1.00 0.00 C +ATOM 91 CA SER A 91 277.445 272.766 247.349 1.00 0.00 C +ATOM 92 CA THR A 92 280.831 274.449 247.818 1.00 0.00 C +ATOM 93 CA SER A 93 284.157 274.443 249.676 1.00 0.00 C +ATOM 94 CA ASP A 94 286.684 272.858 252.046 1.00 0.00 C +ATOM 95 CA ALA A 95 287.047 269.068 251.911 1.00 0.00 C +ATOM 96 CA ASN A 96 287.356 266.093 249.551 1.00 0.00 C +ATOM 97 CA THR A 97 291.000 264.984 249.632 1.00 0.00 C +ATOM 98 CA HIS A 98 292.697 265.165 253.039 1.00 0.00 C +ATOM 99 CA LYS A 99 292.160 262.538 255.746 1.00 0.00 C +ATOM 100 CA SER A 100 288.425 261.790 255.650 1.00 0.00 C +ATOM 101 CA ILE A 101 287.498 258.765 257.773 1.00 0.00 C +TER 102 ILE A 101 +END diff --git a/Fungi/A0A370Q1P9/A0A370Q1P9.dcd b/Fungi/A0A370Q1P9/A0A370Q1P9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a663e1695cddb5bdba7fa1f99bd4d0e6f8e3a14a --- /dev/null +++ b/Fungi/A0A370Q1P9/A0A370Q1P9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dafc5edff687d9538d85e481b61ca40209f62d44e58e365ce612d435a8b5962b +size 21800276 diff --git a/Fungi/A0A370Q1P9/top.pdb b/Fungi/A0A370Q1P9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..fa05b966bbe67510353f1b908ea00ba1401645e3 --- /dev/null +++ b/Fungi/A0A370Q1P9/top.pdb @@ -0,0 +1,179 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 278.926 201.121 291.148 1.00 0.00 C +ATOM 2 CA SER A 2 279.423 204.859 290.609 1.00 0.00 C +ATOM 3 CA ARG A 3 280.552 207.472 293.142 1.00 0.00 C +ATOM 4 CA THR A 4 281.478 209.822 295.994 1.00 0.00 C +ATOM 5 CA ARG A 5 283.691 211.355 298.689 1.00 0.00 C +ATOM 6 CA GLN A 6 282.388 210.259 302.097 1.00 0.00 C +ATOM 7 CA ILE A 7 281.243 210.175 305.730 1.00 0.00 C +ATOM 8 CA ALA A 8 279.439 212.583 308.067 1.00 0.00 C +ATOM 9 CA SER A 9 276.826 214.497 306.061 1.00 0.00 C +ATOM 10 CA GLU A 10 277.864 217.151 303.532 1.00 0.00 C +ATOM 11 CA PRO A 11 279.824 217.804 300.331 1.00 0.00 C +ATOM 12 CA ALA A 12 278.072 217.549 296.958 1.00 0.00 C +ATOM 13 CA SER A 13 275.489 219.871 295.391 1.00 0.00 C +ATOM 14 CA SER A 14 271.834 220.515 294.531 1.00 0.00 C +ATOM 15 CA SER A 15 271.337 223.705 292.508 1.00 0.00 C +ATOM 16 CA GLN A 16 270.221 223.907 288.871 1.00 0.00 C +ATOM 17 CA LEU A 17 267.911 226.074 286.754 1.00 0.00 C +ATOM 18 CA GLU A 18 266.845 227.663 283.459 1.00 0.00 C +ATOM 19 CA LEU A 19 264.828 227.530 280.230 1.00 0.00 C +ATOM 20 CA THR A 20 264.073 229.697 277.188 1.00 0.00 C +ATOM 21 CA GLU A 21 265.355 229.398 273.613 1.00 0.00 C +ATOM 22 CA GLU A 22 268.975 229.711 272.465 1.00 0.00 C +ATOM 23 CA HIS A 23 271.228 226.639 272.477 1.00 0.00 C +ATOM 24 CA THR A 24 269.821 223.131 271.993 1.00 0.00 C +ATOM 25 CA GLU A 25 266.026 223.277 272.300 1.00 0.00 C +ATOM 26 CA THR A 26 262.698 221.759 271.235 1.00 0.00 C +ATOM 27 CA SER A 27 259.610 220.028 272.642 1.00 0.00 C +ATOM 28 CA SER A 28 257.390 217.743 270.551 1.00 0.00 C +ATOM 29 CA ALA A 29 258.298 214.778 268.338 1.00 0.00 C +ATOM 30 CA VAL A 30 258.384 211.212 267.001 1.00 0.00 C +ATOM 31 CA PRO A 31 259.612 211.200 263.394 1.00 0.00 C +ATOM 32 CA VAL A 32 261.747 209.296 260.877 1.00 0.00 C +ATOM 33 CA PRO A 33 260.648 205.921 259.493 1.00 0.00 C +ATOM 34 CA ALA A 34 261.277 203.625 256.519 1.00 0.00 C +ATOM 35 CA THR A 35 264.950 202.642 256.759 1.00 0.00 C +ATOM 36 CA LEU A 36 267.518 205.280 255.775 1.00 0.00 C +ATOM 37 CA ARG A 37 269.555 208.167 257.200 1.00 0.00 C +ATOM 38 CA LEU A 38 269.226 211.592 258.835 1.00 0.00 C +ATOM 39 CA ARG A 39 271.277 213.531 261.394 1.00 0.00 C +ATOM 40 CA GLY A 40 274.425 214.789 259.655 1.00 0.00 C +ATOM 41 CA ALA A 41 275.450 211.922 257.365 1.00 0.00 C +ATOM 42 CA ASP A 42 278.561 211.087 255.330 1.00 0.00 C +ATOM 43 CA GLU A 43 281.427 210.762 252.841 1.00 0.00 C +ATOM 44 CA PRO A 44 281.436 211.800 249.175 1.00 0.00 C +ATOM 45 CA ALA A 45 281.148 215.465 248.176 1.00 0.00 C +ATOM 46 CA ALA A 46 278.984 217.573 250.498 1.00 0.00 C +ATOM 47 CA ASN A 47 279.795 217.137 254.195 1.00 0.00 C +ATOM 48 CA ARG A 48 282.064 219.512 256.124 1.00 0.00 C +ATOM 49 CA LEU A 49 284.768 221.285 258.140 1.00 0.00 C +ATOM 50 CA GLU A 50 282.895 224.083 259.924 1.00 0.00 C +ATOM 51 CA LEU A 51 285.119 226.876 261.254 1.00 0.00 C +ATOM 52 CA ASN A 52 284.455 230.102 263.168 1.00 0.00 C +ATOM 53 CA GLU A 53 283.891 233.210 261.037 1.00 0.00 C +ATOM 54 CA GLY A 54 280.744 234.154 259.107 1.00 0.00 C +ATOM 55 CA ASN A 55 277.879 233.723 256.633 1.00 0.00 C +ATOM 56 CA SER A 56 276.769 234.198 253.019 1.00 0.00 C +ATOM 57 CA ARG A 57 273.604 236.318 253.106 1.00 0.00 C +ATOM 58 CA ARG A 58 274.592 239.952 252.529 1.00 0.00 C +ATOM 59 CA ILE A 59 274.479 242.453 249.657 1.00 0.00 C +ATOM 60 CA ARG A 60 274.198 246.080 250.788 1.00 0.00 C +ATOM 61 CA TRP A 61 273.728 249.315 252.745 1.00 0.00 C +ATOM 62 CA SER A 62 270.659 251.263 251.604 1.00 0.00 C +ATOM 63 CA GLU A 63 268.267 253.105 249.279 1.00 0.00 C +ATOM 64 CA ASP A 64 264.642 253.188 250.447 1.00 0.00 C +ATOM 65 CA VAL A 65 262.080 252.337 247.759 1.00 0.00 C +ATOM 66 CA ILE A 66 258.422 251.446 247.171 1.00 0.00 C +ATOM 67 CA ASP A 67 256.511 253.526 249.728 1.00 0.00 C +ATOM 68 CA ASN A 68 256.649 256.767 251.725 1.00 0.00 C +ATOM 69 CA GLU A 69 258.640 259.869 252.692 1.00 0.00 C +ATOM 70 CA GLY A 70 262.236 260.803 251.847 1.00 0.00 C +ATOM 71 CA MET A 71 264.987 260.217 249.278 1.00 0.00 C +ATOM 72 CA GLY A 72 265.164 261.185 245.597 1.00 0.00 C +ATOM 73 CA LYS A 73 268.023 262.738 243.617 1.00 0.00 C +ATOM 74 CA LYS A 74 267.150 265.849 241.598 1.00 0.00 C +ATOM 75 CA SER A 75 267.744 269.292 240.078 1.00 0.00 C +ATOM 76 CA SER A 76 265.620 272.354 239.287 1.00 0.00 C +ATOM 77 CA LYS A 77 262.401 274.116 238.264 1.00 0.00 C +ATOM 78 CA VAL A 78 260.204 271.960 236.020 1.00 0.00 C +ATOM 79 CA CYS A 79 259.078 268.369 236.617 1.00 0.00 C +ATOM 80 CA CYS A 80 255.773 266.481 236.468 1.00 0.00 C +ATOM 81 CA ILE A 81 256.551 263.004 235.117 1.00 0.00 C +ATOM 82 CA TYR A 82 256.359 260.284 237.777 1.00 0.00 C +ATOM 83 CA HIS A 83 253.109 258.572 238.787 1.00 0.00 C +ATOM 84 CA LYS A 84 250.922 259.095 241.863 1.00 0.00 C +ATOM 85 CA SER A 85 249.711 262.560 242.883 1.00 0.00 C +ATOM 86 CA ARG A 86 251.209 263.084 246.347 1.00 0.00 C +ATOM 87 CA PRO A 87 255.001 263.172 245.982 1.00 0.00 C +ATOM 88 CA ILE A 88 257.587 263.498 243.203 1.00 0.00 C +ATOM 89 CA GLY A 89 260.597 265.834 243.190 1.00 0.00 C +ATOM 90 CA ASP A 90 260.379 268.069 246.267 1.00 0.00 C +ATOM 91 CA SER A 91 259.327 271.435 247.711 1.00 0.00 C +ATOM 92 CA SER A 92 260.735 274.344 249.728 1.00 0.00 C +ATOM 93 CA SER A 93 260.473 277.517 247.635 1.00 0.00 C +ATOM 94 CA GLU A 94 258.945 277.845 244.161 1.00 0.00 C +ATOM 95 CA SER A 95 256.342 277.310 241.431 1.00 0.00 C +ATOM 96 CA GLU A 96 256.009 273.829 239.918 1.00 0.00 C +ATOM 97 CA SER A 97 255.463 271.156 242.578 1.00 0.00 C +ATOM 98 CA SER A 98 252.981 268.741 244.167 1.00 0.00 C +ATOM 99 CA ASP A 99 249.265 268.991 244.969 1.00 0.00 C +ATOM 100 CA SER A 100 245.646 268.829 243.788 1.00 0.00 C +ATOM 101 CA SER A 101 242.010 267.696 243.910 1.00 0.00 C +ATOM 102 CA THR A 102 238.802 269.681 243.379 1.00 0.00 C +ATOM 103 CA SER A 103 237.677 268.701 239.873 1.00 0.00 C +ATOM 104 CA ASN A 104 236.021 269.497 236.536 1.00 0.00 C +ATOM 105 CA SER A 105 235.403 273.256 236.579 1.00 0.00 C +ATOM 106 CA ASP A 106 232.627 274.346 234.209 1.00 0.00 C +ATOM 107 CA THR A 107 231.848 277.929 235.242 1.00 0.00 C +ATOM 108 CA ASP A 108 233.286 280.638 237.503 1.00 0.00 C +ATOM 109 CA SER A 109 233.498 279.783 241.210 1.00 0.00 C +ATOM 110 CA ASP A 110 232.065 279.044 244.662 1.00 0.00 C +ATOM 111 CA ASP A 111 229.052 281.351 245.003 1.00 0.00 C +ATOM 112 CA GLU A 112 229.791 284.483 247.043 1.00 0.00 C +ATOM 113 CA ALA A 113 228.062 287.447 248.699 1.00 0.00 C +ATOM 114 CA ALA A 114 227.899 289.631 251.817 1.00 0.00 C +ATOM 115 CA CYS A 115 226.869 289.409 255.478 1.00 0.00 C +ATOM 116 CA HIS A 116 229.707 289.166 258.010 1.00 0.00 C +ATOM 117 CA ARG A 117 230.182 286.167 260.310 1.00 0.00 C +ATOM 118 CA ARG A 118 230.381 285.272 264.008 1.00 0.00 C +ATOM 119 CA THR A 119 230.505 281.466 264.145 1.00 0.00 C +ATOM 120 CA GLY A 120 229.114 278.521 266.120 1.00 0.00 C +ATOM 121 CA HIS A 121 231.236 275.380 266.507 1.00 0.00 C +ATOM 122 CA ARG A 122 234.628 273.673 266.207 1.00 0.00 C +ATOM 123 CA PRO A 123 237.764 272.564 264.349 1.00 0.00 C +ATOM 124 CA PRO A 124 239.962 274.246 261.730 1.00 0.00 C +ATOM 125 CA THR A 125 238.156 275.893 258.807 1.00 0.00 C +ATOM 126 CA ALA A 126 238.840 275.962 255.059 1.00 0.00 C +ATOM 127 CA GLN A 127 238.622 272.381 253.776 1.00 0.00 C +ATOM 128 CA GLY A 128 238.126 268.674 253.051 1.00 0.00 C +ATOM 129 CA GLU A 129 239.920 266.131 250.853 1.00 0.00 C +ATOM 130 CA ASN A 130 240.938 262.571 249.957 1.00 0.00 C +ATOM 131 CA TYR A 131 237.889 260.872 248.432 1.00 0.00 C +ATOM 132 CA ALA A 132 237.812 257.085 248.018 1.00 0.00 C +ATOM 133 CA SER A 133 236.760 255.522 244.706 1.00 0.00 C +ATOM 134 CA SER A 134 235.259 255.455 241.205 1.00 0.00 C +ATOM 135 CA GLY A 135 236.321 252.499 239.047 1.00 0.00 C +ATOM 136 CA GLN A 136 237.811 250.311 236.307 1.00 0.00 C +ATOM 137 CA ARG A 137 236.718 246.903 235.000 1.00 0.00 C +ATOM 138 CA LEU A 138 234.567 246.381 231.899 1.00 0.00 C +ATOM 139 CA SER A 139 231.751 245.734 229.416 1.00 0.00 C +ATOM 140 CA SER A 140 228.136 246.154 228.286 1.00 0.00 C +ATOM 141 CA ASN A 141 224.798 244.672 229.371 1.00 0.00 C +ATOM 142 CA SER A 142 221.313 246.101 229.944 1.00 0.00 C +ATOM 143 CA GLU A 143 221.168 249.615 228.478 1.00 0.00 C +ATOM 144 CA GLU A 144 220.588 252.854 226.558 1.00 0.00 C +ATOM 145 CA ARG A 145 218.977 253.547 223.176 1.00 0.00 C +ATOM 146 CA THR A 146 215.292 253.438 222.216 1.00 0.00 C +ATOM 147 CA CYS A 147 212.423 255.528 220.831 1.00 0.00 C +ATOM 148 CA ARG A 148 209.189 253.754 219.879 1.00 0.00 C +ATOM 149 CA SER A 149 205.569 253.444 221.026 1.00 0.00 C +ATOM 150 CA SER A 150 202.942 255.650 222.685 1.00 0.00 C +ATOM 151 CA HIS A 151 204.522 258.935 223.795 1.00 0.00 C +ATOM 152 CA ARG A 152 206.015 262.415 224.213 1.00 0.00 C +ATOM 153 CA ALA A 153 209.719 262.568 223.335 1.00 0.00 C +ATOM 154 CA ARG A 154 213.060 264.274 222.672 1.00 0.00 C +ATOM 155 CA LYS A 155 213.002 265.691 219.136 1.00 0.00 C +ATOM 156 CA THR A 156 212.466 267.666 215.922 1.00 0.00 C +ATOM 157 CA LYS A 157 212.441 271.437 216.467 1.00 0.00 C +ATOM 158 CA ARG A 158 214.966 272.901 218.915 1.00 0.00 C +ATOM 159 CA LYS A 159 217.229 272.128 221.881 1.00 0.00 C +ATOM 160 CA PRO A 160 217.119 275.307 223.978 1.00 0.00 C +ATOM 161 CA SER A 161 219.110 278.514 224.493 1.00 0.00 C +ATOM 162 CA PRO A 162 219.131 279.389 228.201 1.00 0.00 C +ATOM 163 CA ASN A 163 218.737 276.890 231.050 1.00 0.00 C +ATOM 164 CA ALA A 164 218.074 273.388 229.703 1.00 0.00 C +ATOM 165 CA TYR A 165 220.758 271.305 227.980 1.00 0.00 C +ATOM 166 CA GLU A 166 222.723 269.674 225.152 1.00 0.00 C +ATOM 167 CA LYS A 167 222.939 267.577 221.979 1.00 0.00 C +ATOM 168 CA MET A 168 219.640 265.867 221.136 1.00 0.00 C +ATOM 169 CA PRO A 169 220.241 264.279 217.726 1.00 0.00 C +ATOM 170 CA LYS A 170 220.297 265.325 214.063 1.00 0.00 C +ATOM 171 CA THR A 171 223.003 263.696 211.932 1.00 0.00 C +ATOM 172 CA THR A 172 225.245 261.043 210.367 1.00 0.00 C +ATOM 173 CA LYS A 173 225.964 257.347 210.954 1.00 0.00 C +ATOM 174 CA GLY A 174 224.922 254.290 212.975 1.00 0.00 C +ATOM 175 CA ARG A 175 223.271 255.245 216.273 1.00 0.00 C +TER 176 ARG A 175 +END diff --git a/Fungi/A0A371CUA7/A0A371CUA7.dcd b/Fungi/A0A371CUA7/A0A371CUA7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..76bd0b55feaf5aad1f234ee6f007fb04db6d625e --- /dev/null +++ b/Fungi/A0A371CUA7/A0A371CUA7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5b02ac57bc99d7714a75d2387eafd7075577addf6ee329bc0cb63a00c94552c2 +size 39360276 diff --git a/Fungi/A0A371CUA7/top.pdb b/Fungi/A0A371CUA7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..cd33548a60a92bccc7e4248aa5c72a2b700f0484 --- /dev/null +++ b/Fungi/A0A371CUA7/top.pdb @@ -0,0 +1,216 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 239.971 296.986 247.576 1.00 0.00 C +ATOM 2 CA PRO A 2 240.616 300.641 246.715 1.00 0.00 C +ATOM 3 CA LYS A 3 240.050 302.135 243.256 1.00 0.00 C +ATOM 4 CA ILE A 4 240.059 305.876 242.534 1.00 0.00 C +ATOM 5 CA ARG A 5 237.762 308.741 241.517 1.00 0.00 C +ATOM 6 CA TYR A 6 234.065 307.851 241.750 1.00 0.00 C +ATOM 7 CA GLY A 7 233.650 304.311 240.403 1.00 0.00 C +ATOM 8 CA ARG A 8 231.099 301.943 238.852 1.00 0.00 C +ATOM 9 CA GLY A 9 232.472 298.429 238.317 1.00 0.00 C +ATOM 10 CA PHE A 10 233.297 294.731 237.922 1.00 0.00 C +ATOM 11 CA PRO A 11 234.621 291.162 238.079 1.00 0.00 C +ATOM 12 CA ASP A 12 235.060 288.924 235.026 1.00 0.00 C +ATOM 13 CA ASN A 13 236.112 289.792 231.468 1.00 0.00 C +ATOM 14 CA ARG A 14 235.979 288.362 227.939 1.00 0.00 C +ATOM 15 CA PRO A 15 238.492 287.922 225.110 1.00 0.00 C +ATOM 16 CA PRO A 16 241.025 285.077 225.015 1.00 0.00 C +ATOM 17 CA GLU A 17 240.597 281.578 223.568 1.00 0.00 C +ATOM 18 CA PHE A 18 242.002 278.091 224.185 1.00 0.00 C +ATOM 19 CA SER A 19 243.357 274.696 223.112 1.00 0.00 C +ATOM 20 CA SER A 20 242.680 274.056 219.418 1.00 0.00 C +ATOM 21 CA VAL A 21 244.669 273.472 216.221 1.00 0.00 C +ATOM 22 CA THR A 22 248.245 274.784 216.283 1.00 0.00 C +ATOM 23 CA GLU A 23 250.104 277.704 214.691 1.00 0.00 C +ATOM 24 CA ARG A 24 251.135 279.868 217.653 1.00 0.00 C +ATOM 25 CA PHE A 25 252.200 283.470 218.288 1.00 0.00 C +ATOM 26 CA TYR A 26 255.903 284.108 218.923 1.00 0.00 C +ATOM 27 CA ASP A 27 258.500 284.969 221.573 1.00 0.00 C +ATOM 28 CA SER A 28 257.618 287.015 224.664 1.00 0.00 C +ATOM 29 CA SER A 29 254.061 288.131 225.451 1.00 0.00 C +ATOM 30 CA ASP A 30 250.733 288.750 227.199 1.00 0.00 C +ATOM 31 CA GLY A 31 246.975 289.017 226.629 1.00 0.00 C +ATOM 32 CA THR A 32 243.829 289.644 228.683 1.00 0.00 C +ATOM 33 CA THR A 33 244.181 292.356 231.336 1.00 0.00 C +ATOM 34 CA ALA A 34 244.228 291.440 235.033 1.00 0.00 C +ATOM 35 CA GLU A 35 241.379 291.893 237.522 1.00 0.00 C +ATOM 36 CA SER A 36 241.228 294.499 240.298 1.00 0.00 C +ATOM 37 CA GLN A 37 244.273 294.761 242.573 1.00 0.00 C +ATOM 38 CA LEU A 38 245.965 298.073 243.402 1.00 0.00 C +ATOM 39 CA PHE A 39 249.452 299.451 244.079 1.00 0.00 C +ATOM 40 CA PRO A 40 252.575 298.054 245.756 1.00 0.00 C +ATOM 41 CA ASP A 41 255.264 297.475 248.393 1.00 0.00 C +ATOM 42 CA VAL A 42 254.215 294.496 250.523 1.00 0.00 C +ATOM 43 CA PRO A 43 253.726 291.697 253.062 1.00 0.00 C +ATOM 44 CA MET A 44 254.017 288.189 254.521 1.00 0.00 C +ATOM 45 CA ASN A 45 255.970 285.544 256.447 1.00 0.00 C +ATOM 46 CA SER A 46 258.781 283.041 257.035 1.00 0.00 C +ATOM 47 CA GLN A 47 260.573 283.632 260.345 1.00 0.00 C +ATOM 48 CA HIS A 48 259.270 282.739 263.812 1.00 0.00 C +ATOM 49 CA ARG A 49 258.017 280.055 266.208 1.00 0.00 C +ATOM 50 CA PHE A 50 257.878 278.497 269.682 1.00 0.00 C +ATOM 51 CA CYS A 51 255.059 276.172 270.764 1.00 0.00 C +ATOM 52 CA THR A 52 255.920 272.769 272.245 1.00 0.00 C +ATOM 53 CA PRO A 53 255.155 271.750 275.835 1.00 0.00 C +ATOM 54 CA PRO A 54 251.904 271.657 277.820 1.00 0.00 C +ATOM 55 CA PRO A 55 249.207 270.825 275.260 1.00 0.00 C +ATOM 56 CA LEU A 56 249.501 268.318 272.406 1.00 0.00 C +ATOM 57 CA ASP A 57 252.419 268.127 269.964 1.00 0.00 C +ATOM 58 CA PRO A 58 252.631 269.717 266.508 1.00 0.00 C +ATOM 59 CA ARG A 59 250.887 268.842 263.236 1.00 0.00 C +ATOM 60 CA LEU A 60 247.474 270.536 263.225 1.00 0.00 C +ATOM 61 CA VAL A 61 246.572 272.377 260.014 1.00 0.00 C +ATOM 62 CA ASP A 62 248.136 275.835 260.345 1.00 0.00 C +ATOM 63 CA SER A 63 246.633 279.299 260.850 1.00 0.00 C +ATOM 64 CA SER A 64 243.215 280.242 262.245 1.00 0.00 C +ATOM 65 CA PRO A 65 240.452 278.253 260.534 1.00 0.00 C +ATOM 66 CA SER A 66 240.894 274.761 259.074 1.00 0.00 C +ATOM 67 CA GLU A 67 240.419 271.071 259.895 1.00 0.00 C +ATOM 68 CA ALA A 68 238.499 268.443 257.915 1.00 0.00 C +ATOM 69 CA ASP A 69 238.668 264.642 258.127 1.00 0.00 C +ATOM 70 CA ASP A 70 237.700 263.004 261.428 1.00 0.00 C +ATOM 71 CA PHE A 71 235.651 260.233 263.052 1.00 0.00 C +ATOM 72 CA PRO A 72 237.530 257.390 264.755 1.00 0.00 C +ATOM 73 CA GLN A 73 236.291 255.153 267.580 1.00 0.00 C +ATOM 74 CA PHE A 74 238.929 252.921 269.185 1.00 0.00 C +ATOM 75 CA THR A 75 241.991 250.655 269.078 1.00 0.00 C +ATOM 76 CA SER A 76 243.819 249.293 266.026 1.00 0.00 C +ATOM 77 CA ARG A 77 244.907 245.680 266.557 1.00 0.00 C +ATOM 78 CA PRO A 78 243.280 244.579 269.822 1.00 0.00 C +ATOM 79 CA PRO A 79 243.250 241.544 272.125 1.00 0.00 C +ATOM 80 CA SER A 80 243.247 240.224 275.699 1.00 0.00 C +ATOM 81 CA PRO A 81 240.287 239.891 278.074 1.00 0.00 C +ATOM 82 CA ASP A 82 239.323 236.615 279.764 1.00 0.00 C +ATOM 83 CA ASP A 83 240.132 232.951 280.427 1.00 0.00 C +ATOM 84 CA PHE A 84 241.726 229.880 282.020 1.00 0.00 C +ATOM 85 CA ASP A 85 240.030 229.144 285.352 1.00 0.00 C +ATOM 86 CA GLU A 86 242.375 227.187 287.629 1.00 0.00 C +ATOM 87 CA LEU A 87 244.707 229.010 290.027 1.00 0.00 C +ATOM 88 CA THR A 88 245.835 232.193 288.262 1.00 0.00 C +ATOM 89 CA GLY A 89 244.450 235.741 288.335 1.00 0.00 C +ATOM 90 CA ALA A 90 242.994 239.213 288.920 1.00 0.00 C +ATOM 91 CA ARG A 91 244.345 242.415 290.482 1.00 0.00 C +ATOM 92 CA PRO A 92 243.592 246.111 291.019 1.00 0.00 C +ATOM 93 CA PRO A 93 242.884 249.709 292.053 1.00 0.00 C +ATOM 94 CA LEU A 94 242.906 253.362 293.134 1.00 0.00 C +ATOM 95 CA PRO A 95 243.037 253.683 296.928 1.00 0.00 C +ATOM 96 CA PRO A 96 244.678 257.009 297.803 1.00 0.00 C +ATOM 97 CA LEU A 97 246.174 260.504 298.048 1.00 0.00 C +ATOM 98 CA PRO A 98 243.847 263.499 298.414 1.00 0.00 C +ATOM 99 CA GLY A 99 243.011 266.642 296.430 1.00 0.00 C +ATOM 100 CA SER A 100 240.711 269.370 295.094 1.00 0.00 C +ATOM 101 CA LYS A 101 240.058 268.905 291.370 1.00 0.00 C +ATOM 102 CA ARG A 102 242.950 267.859 289.120 1.00 0.00 C +ATOM 103 CA ASN A 103 244.275 264.435 290.140 1.00 0.00 C +ATOM 104 CA PRO A 104 242.262 261.232 290.587 1.00 0.00 C +ATOM 105 CA ILE A 105 241.417 259.792 287.162 1.00 0.00 C +ATOM 106 CA VAL A 106 244.308 257.754 285.746 1.00 0.00 C +ATOM 107 CA VAL A 107 247.698 259.463 285.431 1.00 0.00 C +ATOM 108 CA ASP A 108 250.050 259.072 282.460 1.00 0.00 C +ATOM 109 CA GLU A 109 249.926 259.550 278.682 1.00 0.00 C +ATOM 110 CA ASP A 110 252.480 259.761 275.863 1.00 0.00 C +ATOM 111 CA ASP A 111 251.319 258.081 272.646 1.00 0.00 C +ATOM 112 CA PHE A 112 253.859 256.885 270.071 1.00 0.00 C +ATOM 113 CA GLU A 113 256.869 256.460 267.774 1.00 0.00 C +ATOM 114 CA HIS A 114 259.087 253.580 268.913 1.00 0.00 C +ATOM 115 CA GLY A 115 261.973 252.165 266.867 1.00 0.00 C +ATOM 116 CA GLY A 116 262.608 250.191 263.671 1.00 0.00 C +ATOM 117 CA LEU A 117 259.879 249.793 261.042 1.00 0.00 C +ATOM 118 CA HIS A 118 260.886 247.447 258.213 1.00 0.00 C +ATOM 119 CA ARG A 119 259.506 245.576 255.196 1.00 0.00 C +ATOM 120 CA GLY A 120 259.717 242.367 253.152 1.00 0.00 C +ATOM 121 CA ASN A 121 256.505 240.482 252.351 1.00 0.00 C +ATOM 122 CA THR A 122 257.007 236.738 252.851 1.00 0.00 C +ATOM 123 CA THR A 123 256.295 233.093 253.697 1.00 0.00 C +ATOM 124 CA THR A 124 258.087 230.035 255.095 1.00 0.00 C +ATOM 125 CA ALA A 125 261.750 230.959 255.592 1.00 0.00 C +ATOM 126 CA SER A 126 264.663 229.191 253.888 1.00 0.00 C +ATOM 127 CA ALA A 127 268.421 228.887 253.336 1.00 0.00 C +ATOM 128 CA PRO A 128 269.136 225.678 251.411 1.00 0.00 C +ATOM 129 CA LYS A 129 270.120 222.830 253.742 1.00 0.00 C +ATOM 130 CA ARG A 130 269.656 219.070 254.152 1.00 0.00 C +ATOM 131 CA PRO A 131 270.146 215.351 254.817 1.00 0.00 C +ATOM 132 CA THR A 132 271.878 213.443 252.011 1.00 0.00 C +ATOM 133 CA THR A 133 269.491 211.862 249.497 1.00 0.00 C +ATOM 134 CA SER A 134 267.365 212.470 246.393 1.00 0.00 C +ATOM 135 CA CYS A 135 263.784 211.169 246.453 1.00 0.00 C +ATOM 136 CA LEU A 136 260.172 211.730 245.381 1.00 0.00 C +ATOM 137 CA ARG A 137 260.407 212.284 241.618 1.00 0.00 C +ATOM 138 CA PRO A 138 260.302 210.432 238.290 1.00 0.00 C +ATOM 139 CA ILE A 139 257.282 211.367 236.164 1.00 0.00 C +ATOM 140 CA PRO A 140 256.593 214.862 234.811 1.00 0.00 C +ATOM 141 CA SER A 141 259.029 217.219 233.072 1.00 0.00 C +ATOM 142 CA THR A 142 261.722 219.266 234.826 1.00 0.00 C +ATOM 143 CA SER A 143 261.035 222.899 235.742 1.00 0.00 C +ATOM 144 CA GLN A 144 259.417 224.004 239.010 1.00 0.00 C +ATOM 145 CA GLY A 145 256.651 223.842 241.626 1.00 0.00 C +ATOM 146 CA ARG A 146 253.997 226.562 241.898 1.00 0.00 C +ATOM 147 CA GLN A 147 250.993 228.730 242.786 1.00 0.00 C +ATOM 148 CA PRO A 148 247.312 229.699 242.957 1.00 0.00 C +ATOM 149 CA ASP A 149 245.214 232.682 241.856 1.00 0.00 C +ATOM 150 CA ALA A 150 241.547 233.674 242.145 1.00 0.00 C +ATOM 151 CA PRO A 151 239.483 236.213 244.097 1.00 0.00 C +ATOM 152 CA ALA A 152 237.063 238.690 245.686 1.00 0.00 C +ATOM 153 CA THR A 153 235.348 239.727 248.926 1.00 0.00 C +ATOM 154 CA LYS A 154 232.812 237.095 250.002 1.00 0.00 C +ATOM 155 CA ALA A 155 230.521 237.540 253.014 1.00 0.00 C +ATOM 156 CA THR A 156 230.096 241.280 253.607 1.00 0.00 C +ATOM 157 CA ARG A 157 231.933 243.827 255.765 1.00 0.00 C +ATOM 158 CA SER A 158 235.557 244.635 256.620 1.00 0.00 C +ATOM 159 CA SER A 159 237.841 247.580 255.829 1.00 0.00 C +ATOM 160 CA PRO A 160 241.557 248.271 256.304 1.00 0.00 C +ATOM 161 CA ARG A 161 244.463 248.074 253.847 1.00 0.00 C +ATOM 162 CA LYS A 162 244.394 247.502 250.081 1.00 0.00 C +ATOM 163 CA SER A 163 241.902 245.629 247.890 1.00 0.00 C +ATOM 164 CA LYS A 164 241.309 246.772 244.304 1.00 0.00 C +ATOM 165 CA LEU A 165 239.776 246.030 240.895 1.00 0.00 C +ATOM 166 CA ASN A 166 237.126 243.519 239.806 1.00 0.00 C +ATOM 167 CA ALA A 167 237.057 239.914 238.574 1.00 0.00 C +ATOM 168 CA ALA A 168 235.668 237.974 235.604 1.00 0.00 C +ATOM 169 CA GLN A 169 236.167 234.275 236.370 1.00 0.00 C +ATOM 170 CA PRO A 170 234.491 231.764 234.047 1.00 0.00 C +ATOM 171 CA THR A 171 231.960 228.919 234.186 1.00 0.00 C +ATOM 172 CA ASN A 172 232.108 226.069 231.662 1.00 0.00 C +ATOM 173 CA GLY A 173 230.368 224.750 228.539 1.00 0.00 C +ATOM 174 CA SER A 174 228.619 221.381 228.217 1.00 0.00 C +ATOM 175 CA GLU A 175 229.300 217.636 228.380 1.00 0.00 C +ATOM 176 CA VAL A 176 231.439 214.651 229.395 1.00 0.00 C +ATOM 177 CA LEU A 177 229.543 211.513 228.357 1.00 0.00 C +ATOM 178 CA SER A 178 231.467 209.023 226.209 1.00 0.00 C +ATOM 179 CA LYS A 179 234.928 208.264 224.809 1.00 0.00 C +ATOM 180 CA VAL A 180 236.303 207.405 221.361 1.00 0.00 C +ATOM 181 CA ALA A 181 234.221 204.828 219.479 1.00 0.00 C +ATOM 182 CA THR A 182 235.536 201.551 218.047 1.00 0.00 C +ATOM 183 CA HIS A 183 238.662 199.591 218.997 1.00 0.00 C +ATOM 184 CA GLY A 184 241.348 200.979 221.315 1.00 0.00 C +ATOM 185 CA HIS A 185 243.619 201.366 224.350 1.00 0.00 C +ATOM 186 CA SER A 186 244.664 204.742 225.772 1.00 0.00 C +ATOM 187 CA PRO A 187 245.738 206.464 228.996 1.00 0.00 C +ATOM 188 CA LYS A 188 247.397 209.859 228.510 1.00 0.00 C +ATOM 189 CA LYS A 189 250.739 210.849 226.971 1.00 0.00 C +ATOM 190 CA ALA A 190 251.321 214.292 225.447 1.00 0.00 C +ATOM 191 CA SER A 191 254.638 215.655 224.161 1.00 0.00 C +ATOM 192 CA PRO A 192 257.536 213.324 224.989 1.00 0.00 C +ATOM 193 CA LEU A 193 259.808 210.920 223.097 1.00 0.00 C +ATOM 194 CA SER A 194 262.720 211.803 220.805 1.00 0.00 C +ATOM 195 CA GLN A 195 265.356 214.160 219.385 1.00 0.00 C +ATOM 196 CA VAL A 196 268.856 212.746 218.871 1.00 0.00 C +ATOM 197 CA ALA A 197 272.057 212.174 220.857 1.00 0.00 C +ATOM 198 CA TYR A 198 274.541 215.062 220.938 1.00 0.00 C +ATOM 199 CA ARG A 199 273.819 217.257 223.967 1.00 0.00 C +ATOM 200 CA ALA A 200 276.471 217.991 226.603 1.00 0.00 C +ATOM 201 CA PRO A 201 278.089 221.341 227.423 1.00 0.00 C +ATOM 202 CA SER A 202 281.805 221.063 228.214 1.00 0.00 C +ATOM 203 CA GLU A 203 284.482 218.432 227.562 1.00 0.00 C +ATOM 204 CA ARG A 204 287.316 216.615 229.346 1.00 0.00 C +ATOM 205 CA PRO A 205 290.988 215.869 230.039 1.00 0.00 C +ATOM 206 CA ALA A 206 293.306 218.532 231.472 1.00 0.00 C +ATOM 207 CA SER A 207 292.822 220.281 234.822 1.00 0.00 C +ATOM 208 CA PRO A 208 292.398 223.936 235.810 1.00 0.00 C +ATOM 209 CA THR A 209 295.354 226.338 235.904 1.00 0.00 C +ATOM 210 CA LEU A 210 295.538 228.018 239.318 1.00 0.00 C +ATOM 211 CA PHE A 211 296.384 230.204 242.322 1.00 0.00 C +ATOM 212 CA GLN A 212 299.561 230.396 244.418 1.00 0.00 C +TER 213 GLN A 212 +END diff --git a/Fungi/A0A371DWP2/A0A371DWP2.dcd b/Fungi/A0A371DWP2/A0A371DWP2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..41012d6754a05512d9cc823f545c4f87e1d7eacd --- /dev/null +++ b/Fungi/A0A371DWP2/A0A371DWP2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:26c7bcd274dcc0951ab360b4271032081b7c09429591cdb0814ed8ef0b31a5ce +size 20000276 diff --git a/Fungi/A0A371DWP2/top.pdb b/Fungi/A0A371DWP2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9ef335ba863e32de1242133c26648e79e2a6f8ce --- /dev/null +++ b/Fungi/A0A371DWP2/top.pdb @@ -0,0 +1,164 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 214.394 201.918 244.382 1.00 0.00 C +ATOM 2 CA ALA A 2 218.174 201.456 244.275 1.00 0.00 C +ATOM 3 CA THR A 3 221.503 200.843 242.526 1.00 0.00 C +ATOM 4 CA ARG A 4 224.226 203.273 241.435 1.00 0.00 C +ATOM 5 CA GLN A 5 224.600 203.194 237.644 1.00 0.00 C +ATOM 6 CA ALA A 6 222.580 201.863 234.701 1.00 0.00 C +ATOM 7 CA GLN A 7 220.258 198.843 234.638 1.00 0.00 C +ATOM 8 CA ARG A 8 217.492 198.422 237.225 1.00 0.00 C +ATOM 9 CA PRO A 9 213.921 199.650 236.723 1.00 0.00 C +ATOM 10 CA ALA A 10 211.003 201.333 238.505 1.00 0.00 C +ATOM 11 CA LEU A 11 209.207 204.686 238.719 1.00 0.00 C +ATOM 12 CA ASP A 12 209.233 208.118 240.373 1.00 0.00 C +ATOM 13 CA GLY A 13 210.291 208.558 244.007 1.00 0.00 C +ATOM 14 CA SER A 14 212.396 211.630 244.811 1.00 0.00 C +ATOM 15 CA ARG A 15 215.827 211.825 243.166 1.00 0.00 C +ATOM 16 CA THR A 16 219.091 213.281 244.486 1.00 0.00 C +ATOM 17 CA ILE A 17 221.992 214.436 242.302 1.00 0.00 C +ATOM 18 CA THR A 18 224.509 216.932 243.698 1.00 0.00 C +ATOM 19 CA VAL A 19 224.367 220.696 244.271 1.00 0.00 C +ATOM 20 CA GLN A 20 222.376 222.887 241.874 1.00 0.00 C +ATOM 21 CA ASP A 21 218.637 223.203 241.215 1.00 0.00 C +ATOM 22 CA THR A 22 217.447 226.361 239.446 1.00 0.00 C +ATOM 23 CA LEU A 23 214.986 227.501 236.770 1.00 0.00 C +ATOM 24 CA PRO A 24 214.112 231.190 237.148 1.00 0.00 C +ATOM 25 CA ARG A 25 214.959 232.700 240.542 1.00 0.00 C +ATOM 26 CA GLU A 26 214.799 230.508 243.654 1.00 0.00 C +ATOM 27 CA GLU A 27 217.906 229.815 245.748 1.00 0.00 C +ATOM 28 CA GLY A 28 220.322 228.495 248.382 1.00 0.00 C +ATOM 29 CA GLN A 29 223.877 228.038 247.090 1.00 0.00 C +ATOM 30 CA THR A 30 227.105 226.667 248.579 1.00 0.00 C +ATOM 31 CA ASN A 31 228.924 226.561 251.925 1.00 0.00 C +ATOM 32 CA GLU A 32 230.845 226.017 255.170 1.00 0.00 C +ATOM 33 CA GLN A 33 231.498 229.375 256.847 1.00 0.00 C +ATOM 34 CA PRO A 34 229.003 230.879 259.303 1.00 0.00 C +ATOM 35 CA SER A 35 229.202 233.823 261.713 1.00 0.00 C +ATOM 36 CA THR A 36 226.026 233.927 263.815 1.00 0.00 C +ATOM 37 CA VAL A 37 222.884 236.080 263.920 1.00 0.00 C +ATOM 38 CA GLY A 38 220.520 236.954 266.777 1.00 0.00 C +ATOM 39 CA SER A 39 222.176 237.820 270.097 1.00 0.00 C +ATOM 40 CA LEU A 40 223.352 241.444 270.044 1.00 0.00 C +ATOM 41 CA ARG A 41 224.214 245.110 270.621 1.00 0.00 C +ATOM 42 CA LEU A 42 227.797 245.708 269.472 1.00 0.00 C +ATOM 43 CA ARG A 43 230.124 242.738 268.946 1.00 0.00 C +ATOM 44 CA GLY A 44 233.911 243.123 269.121 1.00 0.00 C +ATOM 45 CA VAL A 45 235.794 242.278 272.323 1.00 0.00 C +ATOM 46 CA ALA A 46 239.436 241.708 271.358 1.00 0.00 C +ATOM 47 CA ARG A 47 242.373 241.696 268.931 1.00 0.00 C +ATOM 48 CA HIS A 48 244.536 242.684 265.954 1.00 0.00 C +ATOM 49 CA ARG A 49 245.632 245.465 263.591 1.00 0.00 C +ATOM 50 CA GLN A 50 247.966 245.755 260.594 1.00 0.00 C +ATOM 51 CA ARG A 51 250.446 248.506 261.488 1.00 0.00 C +ATOM 52 CA VAL A 52 250.720 250.999 258.620 1.00 0.00 C +ATOM 53 CA VAL A 53 253.470 253.634 258.721 1.00 0.00 C +ATOM 54 CA TRP A 54 256.024 255.738 260.610 1.00 0.00 C +ATOM 55 CA ARG A 55 255.165 258.872 262.600 1.00 0.00 C +ATOM 56 CA GLU A 56 254.179 261.889 264.708 1.00 0.00 C +ATOM 57 CA ASP A 57 251.676 260.760 267.349 1.00 0.00 C +ATOM 58 CA VAL A 58 251.177 260.668 271.125 1.00 0.00 C +ATOM 59 CA VAL A 59 249.694 264.022 272.161 1.00 0.00 C +ATOM 60 CA ASP A 60 252.370 266.628 271.409 1.00 0.00 C +ATOM 61 CA ASN A 61 255.066 267.690 273.882 1.00 0.00 C +ATOM 62 CA GLU A 62 258.741 266.719 273.629 1.00 0.00 C +ATOM 63 CA GLY A 63 259.644 266.670 269.928 1.00 0.00 C +ATOM 64 CA ALA A 64 261.748 269.629 268.773 1.00 0.00 C +ATOM 65 CA GLY A 65 263.306 270.682 265.459 1.00 0.00 C +ATOM 66 CA LYS A 66 264.144 274.149 264.121 1.00 0.00 C +ATOM 67 CA LYS A 67 265.653 275.683 260.977 1.00 0.00 C +ATOM 68 CA LYS A 68 265.341 276.364 257.241 1.00 0.00 C +ATOM 69 CA SER A 69 266.886 274.143 254.558 1.00 0.00 C +ATOM 70 CA LYS A 70 269.668 271.767 253.493 1.00 0.00 C +ATOM 71 CA ILE A 71 273.052 273.115 254.608 1.00 0.00 C +ATOM 72 CA CYS A 72 276.024 273.719 252.301 1.00 0.00 C +ATOM 73 CA CYS A 73 276.311 277.021 250.422 1.00 0.00 C +ATOM 74 CA ILE A 74 276.210 280.800 250.894 1.00 0.00 C +ATOM 75 CA TYR A 75 279.289 283.007 250.485 1.00 0.00 C +ATOM 76 CA HIS A 76 281.945 281.494 252.759 1.00 0.00 C +ATOM 77 CA ARG A 77 284.276 279.944 255.343 1.00 0.00 C +ATOM 78 CA PRO A 78 285.006 280.546 259.034 1.00 0.00 C +ATOM 79 CA LYS A 79 284.420 280.306 262.790 1.00 0.00 C +ATOM 80 CA GLN A 80 285.334 283.094 265.220 1.00 0.00 C +ATOM 81 CA PHE A 81 283.732 286.533 264.874 1.00 0.00 C +ATOM 82 CA GLY A 82 285.631 289.690 265.846 1.00 0.00 C +ATOM 83 CA GLU A 83 286.330 293.422 266.165 1.00 0.00 C +ATOM 84 CA SER A 84 285.098 296.995 266.650 1.00 0.00 C +ATOM 85 CA SER A 85 282.197 298.190 268.810 1.00 0.00 C +ATOM 86 CA SER A 86 281.584 301.600 270.396 1.00 0.00 C +ATOM 87 CA SER A 87 277.916 302.557 270.006 1.00 0.00 C +ATOM 88 CA ASP A 88 274.582 300.745 270.344 1.00 0.00 C +ATOM 89 CA GLU A 89 271.677 301.026 267.895 1.00 0.00 C +ATOM 90 CA SER A 90 269.222 301.764 265.077 1.00 0.00 C +ATOM 91 CA SER A 91 269.663 300.844 261.406 1.00 0.00 C +ATOM 92 CA GLU A 92 271.597 300.089 258.211 1.00 0.00 C +ATOM 93 CA SER A 93 275.329 299.454 258.640 1.00 0.00 C +ATOM 94 CA ASP A 94 277.683 299.314 255.648 1.00 0.00 C +ATOM 95 CA SER A 95 279.055 296.112 254.105 1.00 0.00 C +ATOM 96 CA ASP A 96 278.292 295.715 250.393 1.00 0.00 C +ATOM 97 CA ALA A 97 275.803 293.086 249.207 1.00 0.00 C +ATOM 98 CA HIS A 98 273.927 292.970 245.893 1.00 0.00 C +ATOM 99 CA SER A 99 273.305 296.077 243.779 1.00 0.00 C +ATOM 100 CA ASP A 100 273.439 298.490 240.833 1.00 0.00 C +ATOM 101 CA ASP A 101 269.827 299.629 240.416 1.00 0.00 C +ATOM 102 CA ALA A 102 267.923 296.504 239.358 1.00 0.00 C +ATOM 103 CA ARG A 103 264.143 296.968 239.477 1.00 0.00 C +ATOM 104 CA ALA A 104 261.236 294.828 238.259 1.00 0.00 C +ATOM 105 CA ARG A 105 260.380 291.334 239.514 1.00 0.00 C +ATOM 106 CA ARG A 106 260.105 288.948 236.556 1.00 0.00 C +ATOM 107 CA ARG A 107 258.829 285.397 237.083 1.00 0.00 C +ATOM 108 CA CYS A 108 259.413 282.008 238.723 1.00 0.00 C +ATOM 109 CA ASP A 109 262.420 280.367 240.391 1.00 0.00 C +ATOM 110 CA HIS A 110 262.549 276.587 239.936 1.00 0.00 C +ATOM 111 CA ASP A 111 260.163 273.687 240.577 1.00 0.00 C +ATOM 112 CA HIS A 112 259.893 271.795 243.873 1.00 0.00 C +ATOM 113 CA ASP A 113 260.873 272.954 247.368 1.00 0.00 C +ATOM 114 CA HIS A 114 261.639 270.745 250.375 1.00 0.00 C +ATOM 115 CA ASP A 115 262.453 267.069 250.961 1.00 0.00 C +ATOM 116 CA GLY A 116 262.096 264.601 248.081 1.00 0.00 C +ATOM 117 CA ASN A 117 259.830 261.661 247.224 1.00 0.00 C +ATOM 118 CA ASP A 118 256.156 261.161 248.100 1.00 0.00 C +ATOM 119 CA HIS A 119 252.999 261.017 245.973 1.00 0.00 C +ATOM 120 CA GLY A 120 249.379 259.829 245.962 1.00 0.00 C +ATOM 121 CA ASP A 121 247.991 257.904 242.981 1.00 0.00 C +ATOM 122 CA ASN A 122 244.334 256.836 243.060 1.00 0.00 C +ATOM 123 CA ALA A 123 242.642 254.787 240.330 1.00 0.00 C +ATOM 124 CA THR A 124 241.579 253.918 236.776 1.00 0.00 C +ATOM 125 CA ALA A 125 244.444 252.492 234.710 1.00 0.00 C +ATOM 126 CA SER A 126 244.153 248.890 233.502 1.00 0.00 C +ATOM 127 CA ARG A 127 244.249 245.453 235.143 1.00 0.00 C +ATOM 128 CA ASP A 128 246.349 242.688 236.714 1.00 0.00 C +ATOM 129 CA PRO A 129 244.284 239.496 236.960 1.00 0.00 C +ATOM 130 CA GLN A 130 245.986 236.088 236.912 1.00 0.00 C +ATOM 131 CA GLY A 131 248.723 234.132 238.703 1.00 0.00 C +ATOM 132 CA GLY A 132 250.674 232.903 241.735 1.00 0.00 C +ATOM 133 CA SER A 133 254.198 231.664 240.982 1.00 0.00 C +ATOM 134 CA VAL A 134 257.039 229.133 241.167 1.00 0.00 C +ATOM 135 CA VAL A 135 255.897 226.161 239.074 1.00 0.00 C +ATOM 136 CA HIS A 136 257.099 225.067 235.628 1.00 0.00 C +ATOM 137 CA GLU A 137 258.252 224.107 232.126 1.00 0.00 C +ATOM 138 CA LEU A 138 258.056 223.499 228.369 1.00 0.00 C +ATOM 139 CA ASP A 139 255.114 224.898 226.393 1.00 0.00 C +ATOM 140 CA SER A 140 251.931 224.775 228.482 1.00 0.00 C +ATOM 141 CA ASP A 141 252.042 227.731 230.884 1.00 0.00 C +ATOM 142 CA SER A 142 250.996 227.905 234.543 1.00 0.00 C +ATOM 143 CA ASP A 143 249.557 226.987 237.950 1.00 0.00 C +ATOM 144 CA ASP A 144 248.057 223.966 239.721 1.00 0.00 C +ATOM 145 CA VAL A 145 247.374 224.301 243.455 1.00 0.00 C +ATOM 146 CA ASN A 146 248.869 227.440 245.013 1.00 0.00 C +ATOM 147 CA ALA A 147 252.130 228.536 246.648 1.00 0.00 C +ATOM 148 CA TYR A 148 255.401 229.337 248.431 1.00 0.00 C +ATOM 149 CA GLU A 149 257.349 226.754 250.444 1.00 0.00 C +ATOM 150 CA ARG A 150 258.088 223.022 250.645 1.00 0.00 C +ATOM 151 CA MET A 151 259.082 221.115 247.500 1.00 0.00 C +ATOM 152 CA PRO A 152 261.318 218.217 248.559 1.00 0.00 C +ATOM 153 CA ARG A 153 261.239 215.001 246.518 1.00 0.00 C +ATOM 154 CA ARG A 154 261.897 215.936 242.883 1.00 0.00 C +ATOM 155 CA LYS A 155 263.538 218.116 240.224 1.00 0.00 C +ATOM 156 CA PRO A 156 263.396 219.138 236.557 1.00 0.00 C +ATOM 157 CA LYS A 157 261.058 218.292 233.669 1.00 0.00 C +ATOM 158 CA LYS A 158 257.587 218.049 232.117 1.00 0.00 C +ATOM 159 CA THR A 159 253.997 218.271 233.372 1.00 0.00 C +ATOM 160 CA LYS A 160 250.876 219.506 235.175 1.00 0.00 C +TER 161 LYS A 160 +END diff --git a/Fungi/A0A371DXC4/A0A371DXC4.dcd b/Fungi/A0A371DXC4/A0A371DXC4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..063e999dab012849cabcb97bd26ad3e52eb83f69 --- /dev/null +++ b/Fungi/A0A371DXC4/A0A371DXC4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:149334711af9066ede618c2c9c09f1616daff34e184d04c36a609f4e240857f5 +size 9800276 diff --git a/Fungi/A0A371DXC4/top.pdb b/Fungi/A0A371DXC4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..84768296789512ae52ba4cb3b1c41496e77b2742 --- /dev/null +++ b/Fungi/A0A371DXC4/top.pdb @@ -0,0 +1,79 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 217.954 238.492 248.068 1.00 0.00 C +ATOM 2 CA PRO A 2 220.142 235.483 247.242 1.00 0.00 C +ATOM 3 CA ARG A 3 222.997 232.974 247.494 1.00 0.00 C +ATOM 4 CA LYS A 4 223.493 230.953 250.685 1.00 0.00 C +ATOM 5 CA ARG A 5 221.663 228.142 252.492 1.00 0.00 C +ATOM 6 CA SER A 6 220.714 224.539 253.290 1.00 0.00 C +ATOM 7 CA GLY A 7 221.587 222.268 256.221 1.00 0.00 C +ATOM 8 CA HIS A 8 219.207 219.997 258.144 1.00 0.00 C +ATOM 9 CA GLN A 9 219.766 220.607 261.863 1.00 0.00 C +ATOM 10 CA SER A 10 223.045 221.909 263.303 1.00 0.00 C +ATOM 11 CA PRO A 11 226.045 223.949 264.466 1.00 0.00 C +ATOM 12 CA PRO A 12 227.459 227.358 263.520 1.00 0.00 C +ATOM 13 CA SER A 13 229.897 230.266 263.863 1.00 0.00 C +ATOM 14 CA SER A 14 231.578 233.039 261.863 1.00 0.00 C +ATOM 15 CA PRO A 15 233.621 236.255 261.908 1.00 0.00 C +ATOM 16 CA SER A 16 235.283 238.875 264.119 1.00 0.00 C +ATOM 17 CA SER A 17 238.718 240.168 263.095 1.00 0.00 C +ATOM 18 CA LYS A 18 239.888 240.276 259.471 1.00 0.00 C +ATOM 19 CA PRO A 19 240.842 242.303 256.389 1.00 0.00 C +ATOM 20 CA LYS A 20 243.595 244.935 256.263 1.00 0.00 C +ATOM 21 CA GLU A 21 244.892 245.140 259.839 1.00 0.00 C +ATOM 22 CA THR A 22 245.166 245.241 263.638 1.00 0.00 C +ATOM 23 CA LYS A 23 248.631 244.581 265.077 1.00 0.00 C +ATOM 24 CA SER A 24 249.873 242.038 267.628 1.00 0.00 C +ATOM 25 CA GLY A 25 247.908 238.788 267.315 1.00 0.00 C +ATOM 26 CA LYS A 26 246.840 236.594 264.389 1.00 0.00 C +ATOM 27 CA SER A 27 248.721 234.139 262.165 1.00 0.00 C +ATOM 28 CA THR A 28 252.509 234.184 262.569 1.00 0.00 C +ATOM 29 CA ALA A 29 255.536 232.338 261.175 1.00 0.00 C +ATOM 30 CA SER A 30 259.142 231.112 261.070 1.00 0.00 C +ATOM 31 CA SER A 31 261.378 233.529 259.152 1.00 0.00 C +ATOM 32 CA LYS A 32 262.664 235.402 256.094 1.00 0.00 C +ATOM 33 CA GLU A 33 261.176 237.826 253.559 1.00 0.00 C +ATOM 34 CA ASN A 34 261.828 239.944 250.460 1.00 0.00 C +ATOM 35 CA VAL A 35 260.948 243.460 249.287 1.00 0.00 C +ATOM 36 CA SER A 36 259.604 243.981 245.760 1.00 0.00 C +ATOM 37 CA PRO A 37 260.623 247.450 244.559 1.00 0.00 C +ATOM 38 CA GLU A 38 260.420 248.121 240.814 1.00 0.00 C +ATOM 39 CA ASP A 39 259.177 251.631 240.009 1.00 0.00 C +ATOM 40 CA SER A 40 259.369 255.427 240.277 1.00 0.00 C +ATOM 41 CA LYS A 41 260.015 258.089 242.925 1.00 0.00 C +ATOM 42 CA GLY A 42 259.850 261.716 241.771 1.00 0.00 C +ATOM 43 CA GLY A 43 262.469 262.499 239.118 1.00 0.00 C +ATOM 44 CA ARG A 44 261.879 262.361 235.356 1.00 0.00 C +ATOM 45 CA LYS A 45 259.788 265.465 234.642 1.00 0.00 C +ATOM 46 CA ASP A 46 256.721 267.021 236.281 1.00 0.00 C +ATOM 47 CA GLU A 47 255.268 264.625 238.863 1.00 0.00 C +ATOM 48 CA GLU A 48 254.357 264.609 242.562 1.00 0.00 C +ATOM 49 CA GLU A 49 253.582 261.653 244.838 1.00 0.00 C +ATOM 50 CA ASP A 50 254.224 259.912 248.165 1.00 0.00 C +ATOM 51 CA GLU A 51 252.205 259.013 251.269 1.00 0.00 C +ATOM 52 CA ASP A 52 250.319 262.141 252.354 1.00 0.00 C +ATOM 53 CA GLU A 53 248.954 265.267 254.051 1.00 0.00 C +ATOM 54 CA ASP A 54 246.973 267.355 251.556 1.00 0.00 C +ATOM 55 CA GLU A 55 248.287 270.588 250.028 1.00 0.00 C +ATOM 56 CA ASP A 56 251.783 272.038 250.465 1.00 0.00 C +ATOM 57 CA GLU A 57 255.112 273.208 249.026 1.00 0.00 C +ATOM 58 CA ASP A 58 254.768 276.589 247.305 1.00 0.00 C +ATOM 59 CA GLU A 59 257.256 277.265 244.499 1.00 0.00 C +ATOM 60 CA ASP A 60 258.242 273.832 243.173 1.00 0.00 C +ATOM 61 CA GLU A 61 258.119 270.158 242.170 1.00 0.00 C +ATOM 62 CA ASP A 62 260.768 267.853 243.648 1.00 0.00 C +ATOM 63 CA GLU A 63 259.212 265.762 246.427 1.00 0.00 C +ATOM 64 CA ASP A 64 261.116 263.149 248.443 1.00 0.00 C +ATOM 65 CA GLU A 65 263.414 260.112 248.330 1.00 0.00 C +ATOM 66 CA ASP A 66 266.745 259.634 246.544 1.00 0.00 C +ATOM 67 CA GLU A 67 269.798 261.293 244.980 1.00 0.00 C +ATOM 68 CA ASP A 68 271.312 260.534 241.567 1.00 0.00 C +ATOM 69 CA ASP A 69 272.090 260.800 237.847 1.00 0.00 C +ATOM 70 CA GLU A 70 269.834 261.380 234.831 1.00 0.00 C +ATOM 71 CA ASP A 71 268.052 264.589 233.811 1.00 0.00 C +ATOM 72 CA GLU A 72 268.110 268.340 233.146 1.00 0.00 C +ATOM 73 CA LEU A 73 265.417 269.127 230.568 1.00 0.00 C +ATOM 74 CA GLU A 74 265.876 270.023 226.894 1.00 0.00 C +ATOM 75 CA GLU A 75 264.188 268.285 223.953 1.00 0.00 C +TER 76 GLU A 75 +END diff --git a/Fungi/A0A381L2C1/A0A381L2C1.dcd b/Fungi/A0A381L2C1/A0A381L2C1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..15e43cecd4e77a60911b2b8ea2f147f5dc61d2dd --- /dev/null +++ b/Fungi/A0A381L2C1/A0A381L2C1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d7871e89a0869f4f33b69c6473524803bc1454d8e6735a6425e9376e853bde53 +size 9680276 diff --git a/Fungi/A0A381L2C1/top.pdb b/Fungi/A0A381L2C1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2745bec189c21c64021fe5dbdd49a89ff2f4f50c --- /dev/null +++ b/Fungi/A0A381L2C1/top.pdb @@ -0,0 +1,78 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLN A 1 285.430 245.497 237.681 1.00 0.00 C +ATOM 2 CA GLN A 2 281.625 245.644 237.555 1.00 0.00 C +ATOM 3 CA GLN A 3 279.059 243.373 235.888 1.00 0.00 C +ATOM 4 CA VAL A 4 277.044 241.568 233.205 1.00 0.00 C +ATOM 5 CA SER A 5 275.028 240.787 230.068 1.00 0.00 C +ATOM 6 CA THR A 6 271.449 241.925 229.424 1.00 0.00 C +ATOM 7 CA LEU A 7 268.825 239.837 227.615 1.00 0.00 C +ATOM 8 CA GLN A 8 265.033 239.598 227.895 1.00 0.00 C +ATOM 9 CA GLN A 9 263.465 242.742 229.369 1.00 0.00 C +ATOM 10 CA SER A 10 261.668 245.701 227.779 1.00 0.00 C +ATOM 11 CA VAL A 11 262.629 245.790 224.093 1.00 0.00 C +ATOM 12 CA THR A 12 262.090 243.217 221.335 1.00 0.00 C +ATOM 13 CA ASN A 13 260.949 239.829 220.017 1.00 0.00 C +ATOM 14 CA LEU A 14 257.421 238.474 220.498 1.00 0.00 C +ATOM 15 CA GLN A 15 255.095 238.506 217.480 1.00 0.00 C +ATOM 16 CA GLN A 16 252.068 240.707 218.195 1.00 0.00 C +ATOM 17 CA GLN A 17 250.163 240.412 221.481 1.00 0.00 C +ATOM 18 CA SER A 18 246.705 238.820 221.653 1.00 0.00 C +ATOM 19 CA GLN A 19 245.509 238.784 225.270 1.00 0.00 C +ATOM 20 CA ALA A 20 244.900 239.021 229.023 1.00 0.00 C +ATOM 21 CA LEU A 21 242.451 240.189 231.699 1.00 0.00 C +ATOM 22 CA SER A 22 240.385 237.161 232.738 1.00 0.00 C +ATOM 23 CA GLN A 23 236.861 236.855 234.152 1.00 0.00 C +ATOM 24 CA PRO A 24 234.855 240.047 233.606 1.00 0.00 C +ATOM 25 CA SER A 25 233.326 241.393 236.826 1.00 0.00 C +ATOM 26 CA TYR A 26 233.546 245.181 236.480 1.00 0.00 C +ATOM 27 CA ASP A 27 234.959 248.522 237.646 1.00 0.00 C +ATOM 28 CA PRO A 28 234.259 251.904 239.255 1.00 0.00 C +ATOM 29 CA PRO A 29 230.966 253.273 237.913 1.00 0.00 C +ATOM 30 CA GLN A 30 228.916 255.878 239.791 1.00 0.00 C +ATOM 31 CA ASN A 31 229.725 259.594 240.024 1.00 0.00 C +ATOM 32 CA ALA A 32 230.379 262.865 241.863 1.00 0.00 C +ATOM 33 CA HIS A 33 228.349 265.496 243.727 1.00 0.00 C +ATOM 34 CA SER A 34 225.520 264.054 245.833 1.00 0.00 C +ATOM 35 CA ILE A 35 224.339 265.191 249.273 1.00 0.00 C +ATOM 36 CA HIS A 36 224.961 264.363 252.939 1.00 0.00 C +ATOM 37 CA ARG A 37 223.853 262.410 256.017 1.00 0.00 C +ATOM 38 CA SER A 38 224.944 261.020 259.393 1.00 0.00 C +ATOM 39 CA ALA A 39 228.575 261.655 260.356 1.00 0.00 C +ATOM 40 CA GLU A 40 231.563 263.650 259.088 1.00 0.00 C +ATOM 41 CA HIS A 41 233.485 265.261 256.220 1.00 0.00 C +ATOM 42 CA PRO A 42 236.397 262.888 255.589 1.00 0.00 C +ATOM 43 CA ASP A 43 238.886 261.123 257.872 1.00 0.00 C +ATOM 44 CA PRO A 44 238.461 262.215 261.497 1.00 0.00 C +ATOM 45 CA GLU A 45 240.884 260.999 264.174 1.00 0.00 C +ATOM 46 CA LEU A 46 244.632 260.393 264.496 1.00 0.00 C +ATOM 47 CA PHE A 47 247.800 262.043 265.823 1.00 0.00 C +ATOM 48 CA SER A 48 251.246 261.551 267.371 1.00 0.00 C +ATOM 49 CA ALA A 49 251.455 260.074 270.877 1.00 0.00 C +ATOM 50 CA ASP A 50 254.614 257.953 271.073 1.00 0.00 C +ATOM 51 CA ASP A 51 257.277 258.938 268.533 1.00 0.00 C +ATOM 52 CA PRO A 52 259.917 261.629 267.981 1.00 0.00 C +ATOM 53 CA LYS A 53 263.106 261.089 269.995 1.00 0.00 C +ATOM 54 CA GLN A 54 266.285 259.676 268.442 1.00 0.00 C +ATOM 55 CA ARG A 55 267.154 255.968 268.552 1.00 0.00 C +ATOM 56 CA LYS A 56 269.318 253.812 266.274 1.00 0.00 C +ATOM 57 CA ASP A 57 268.354 250.136 266.004 1.00 0.00 C +ATOM 58 CA LEU A 58 267.284 246.776 264.562 1.00 0.00 C +ATOM 59 CA PRO A 59 263.975 245.986 262.846 1.00 0.00 C +ATOM 60 CA LEU A 60 260.185 246.379 262.847 1.00 0.00 C +ATOM 61 CA PHE A 61 257.594 243.993 261.395 1.00 0.00 C +ATOM 62 CA ILE A 62 253.936 244.842 262.037 1.00 0.00 C +ATOM 63 CA ARG A 63 252.708 248.399 261.442 1.00 0.00 C +ATOM 64 CA LYS A 64 254.583 250.609 263.915 1.00 0.00 C +ATOM 65 CA THR A 65 254.940 253.265 266.623 1.00 0.00 C +ATOM 66 CA ASN A 66 254.533 251.323 269.876 1.00 0.00 C +ATOM 67 CA MET A 67 253.997 249.662 273.262 1.00 0.00 C +ATOM 68 CA LYS A 68 251.978 248.240 276.163 1.00 0.00 C +ATOM 69 CA LEU A 69 249.931 245.121 276.938 1.00 0.00 C +ATOM 70 CA ASN A 70 247.537 243.676 274.351 1.00 0.00 C +ATOM 71 CA THR A 71 247.983 240.343 272.559 1.00 0.00 C +ATOM 72 CA ASN A 72 249.538 238.023 275.150 1.00 0.00 C +ATOM 73 CA ALA A 73 249.669 237.849 278.954 1.00 0.00 C +ATOM 74 CA ASP A 74 251.472 238.837 282.162 1.00 0.00 C +TER 75 ASP A 74 +END diff --git a/Fungi/A0A384J400/A0A384J400.dcd b/Fungi/A0A384J400/A0A384J400.dcd new file mode 100644 index 0000000000000000000000000000000000000000..9bed720b36490526902b8e7bf8bfaa1a511ab4b1 --- /dev/null +++ b/Fungi/A0A384J400/A0A384J400.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:452f38c929dc361e00ecf227e25945ef7c5e04bc02208f5da9208e56d376293a +size 23480276 diff --git a/Fungi/A0A384J400/top.pdb b/Fungi/A0A384J400/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..893adc2ef60846f143e578378449917cc7bca5c7 --- /dev/null +++ b/Fungi/A0A384J400/top.pdb @@ -0,0 +1,193 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 211.889 231.180 284.306 1.00 0.00 C +ATOM 2 CA ASP A 2 214.306 230.989 287.246 1.00 0.00 C +ATOM 3 CA TYR A 3 214.823 234.033 289.478 1.00 0.00 C +ATOM 4 CA GLU A 4 216.145 237.571 289.980 1.00 0.00 C +ATOM 5 CA ILE A 5 219.718 238.316 291.071 1.00 0.00 C +ATOM 6 CA ALA A 6 222.072 239.829 288.486 1.00 0.00 C +ATOM 7 CA GLN A 7 223.254 238.160 285.271 1.00 0.00 C +ATOM 8 CA THR A 8 221.863 238.834 281.789 1.00 0.00 C +ATOM 9 CA SER A 9 221.975 241.062 278.701 1.00 0.00 C +ATOM 10 CA ARG A 10 222.056 244.846 278.268 1.00 0.00 C +ATOM 11 CA SER A 11 225.516 246.091 279.265 1.00 0.00 C +ATOM 12 CA SER A 12 228.561 247.547 281.033 1.00 0.00 C +ATOM 13 CA ARG A 13 231.152 250.122 279.951 1.00 0.00 C +ATOM 14 CA LEU A 14 233.775 251.151 277.387 1.00 0.00 C +ATOM 15 CA ASN A 15 232.237 253.604 274.911 1.00 0.00 C +ATOM 16 CA LYS A 16 230.554 256.395 272.936 1.00 0.00 C +ATOM 17 CA LEU A 17 232.313 257.935 269.928 1.00 0.00 C +ATOM 18 CA VAL A 18 232.996 257.360 266.224 1.00 0.00 C +ATOM 19 CA LYS A 19 234.613 257.755 262.797 1.00 0.00 C +ATOM 20 CA PRO A 20 235.020 254.818 260.404 1.00 0.00 C +ATOM 21 CA SER A 21 236.749 251.441 260.052 1.00 0.00 C +ATOM 22 CA ARG A 22 238.442 248.549 261.865 1.00 0.00 C +ATOM 23 CA GLY A 23 238.390 249.552 265.540 1.00 0.00 C +ATOM 24 CA SER A 24 239.127 246.515 267.719 1.00 0.00 C +ATOM 25 CA LYS A 25 235.966 245.917 269.760 1.00 0.00 C +ATOM 26 CA LYS A 26 232.268 245.390 269.011 1.00 0.00 C +ATOM 27 CA LYS A 27 228.942 243.538 268.858 1.00 0.00 C +ATOM 28 CA GLY A 28 229.678 239.827 269.309 1.00 0.00 C +ATOM 29 CA LEU A 29 227.440 238.566 272.123 1.00 0.00 C +ATOM 30 CA THR A 30 227.660 240.942 275.093 1.00 0.00 C +ATOM 31 CA ASN A 31 230.096 239.685 277.740 1.00 0.00 C +ATOM 32 CA MET A 32 233.735 240.753 277.383 1.00 0.00 C +ATOM 33 CA SER A 33 236.212 242.446 275.034 1.00 0.00 C +ATOM 34 CA VAL A 34 239.546 240.797 275.861 1.00 0.00 C +ATOM 35 CA TYR A 35 241.872 243.510 277.182 1.00 0.00 C +ATOM 36 CA ARG A 36 242.171 247.042 275.783 1.00 0.00 C +ATOM 37 CA LEU A 37 243.738 249.802 273.676 1.00 0.00 C +ATOM 38 CA GLY A 38 244.736 250.622 270.091 1.00 0.00 C +ATOM 39 CA LYS A 39 244.441 254.163 268.718 1.00 0.00 C +ATOM 40 CA SER A 40 242.249 255.136 265.757 1.00 0.00 C +ATOM 41 CA LEU A 41 240.962 258.123 263.773 1.00 0.00 C +ATOM 42 CA ALA A 42 239.969 259.817 260.508 1.00 0.00 C +ATOM 43 CA GLY A 43 239.018 258.723 256.985 1.00 0.00 C +ATOM 44 CA ARG A 44 237.287 260.769 254.277 1.00 0.00 C +ATOM 45 CA THR A 45 234.865 261.282 251.381 1.00 0.00 C +ATOM 46 CA ASN A 46 235.524 261.931 247.685 1.00 0.00 C +ATOM 47 CA PRO A 47 237.314 264.695 245.769 1.00 0.00 C +ATOM 48 CA GLU A 48 237.219 264.040 242.016 1.00 0.00 C +ATOM 49 CA GLY A 49 237.179 262.759 238.429 1.00 0.00 C +ATOM 50 CA ASP A 50 235.873 264.331 235.213 1.00 0.00 C +ATOM 51 CA LYS A 51 236.700 266.213 232.005 1.00 0.00 C +ATOM 52 CA SER A 52 234.763 267.326 228.919 1.00 0.00 C +ATOM 53 CA GLU A 53 237.465 268.084 226.342 1.00 0.00 C +ATOM 54 CA LYS A 54 240.817 266.343 226.844 1.00 0.00 C +ATOM 55 CA ASP A 55 244.090 264.714 227.917 1.00 0.00 C +ATOM 56 CA GLU A 56 247.062 263.880 230.150 1.00 0.00 C +ATOM 57 CA GLY A 57 245.944 263.098 233.708 1.00 0.00 C +ATOM 58 CA ALA A 58 242.178 262.579 233.452 1.00 0.00 C +ATOM 59 CA GLN A 59 241.353 258.990 234.431 1.00 0.00 C +ATOM 60 CA ASN A 60 240.556 255.494 235.718 1.00 0.00 C +ATOM 61 CA ASP A 61 241.100 252.403 233.558 1.00 0.00 C +ATOM 62 CA LYS A 62 240.410 249.367 235.754 1.00 0.00 C +ATOM 63 CA ASP A 63 241.307 250.388 239.313 1.00 0.00 C +ATOM 64 CA ASP A 64 238.399 249.775 241.696 1.00 0.00 C +ATOM 65 CA GLU A 65 235.755 247.128 240.978 1.00 0.00 C +ATOM 66 CA GLU A 66 233.082 245.183 239.083 1.00 0.00 C +ATOM 67 CA HIS A 67 232.879 241.719 237.509 1.00 0.00 C +ATOM 68 CA PHE A 68 231.416 238.245 236.958 1.00 0.00 C +ATOM 69 CA GLU A 69 230.721 235.170 234.818 1.00 0.00 C +ATOM 70 CA GLU A 70 227.365 234.420 233.178 1.00 0.00 C +ATOM 71 CA GLY A 71 225.713 235.333 229.868 1.00 0.00 C +ATOM 72 CA GLU A 72 222.676 234.158 227.890 1.00 0.00 C +ATOM 73 CA VAL A 73 220.331 231.184 228.312 1.00 0.00 C +ATOM 74 CA ASP A 74 216.583 231.735 228.716 1.00 0.00 C +ATOM 75 CA ARG A 75 215.751 234.667 226.429 1.00 0.00 C +ATOM 76 CA THR A 76 213.424 233.631 223.597 1.00 0.00 C +ATOM 77 CA VAL A 77 213.882 232.150 220.116 1.00 0.00 C +ATOM 78 CA GLU A 78 216.702 229.681 219.431 1.00 0.00 C +ATOM 79 CA ASN A 79 219.959 230.930 220.961 1.00 0.00 C +ATOM 80 CA GLU A 80 221.521 234.366 220.436 1.00 0.00 C +ATOM 81 CA GLU A 81 224.954 235.840 221.183 1.00 0.00 C +ATOM 82 CA GLN A 82 228.761 235.953 221.264 1.00 0.00 C +ATOM 83 CA SER A 83 230.108 239.517 221.272 1.00 0.00 C +ATOM 84 CA LYS A 84 232.291 242.294 219.844 1.00 0.00 C +ATOM 85 CA PRO A 85 230.836 245.756 219.205 1.00 0.00 C +ATOM 86 CA ALA A 86 232.600 248.568 217.334 1.00 0.00 C +ATOM 87 CA ASP A 87 233.798 252.145 217.870 1.00 0.00 C +ATOM 88 CA TRP A 88 234.247 255.915 218.187 1.00 0.00 C +ATOM 89 CA VAL A 89 232.041 258.732 219.497 1.00 0.00 C +ATOM 90 CA SER A 90 229.043 259.949 221.508 1.00 0.00 C +ATOM 91 CA THR A 91 228.281 258.806 225.061 1.00 0.00 C +ATOM 92 CA TYR A 92 230.488 256.994 227.584 1.00 0.00 C +ATOM 93 CA SER A 93 228.639 255.234 230.412 1.00 0.00 C +ATOM 94 CA ASN A 94 226.870 253.122 233.045 1.00 0.00 C +ATOM 95 CA PRO A 95 224.119 254.493 235.296 1.00 0.00 C +ATOM 96 CA GLU A 96 224.337 256.819 238.306 1.00 0.00 C +ATOM 97 CA PHE A 97 225.584 256.324 241.872 1.00 0.00 C +ATOM 98 CA GLY A 98 226.247 257.763 245.337 1.00 0.00 C +ATOM 99 CA ASN A 99 228.680 256.891 248.136 1.00 0.00 C +ATOM 100 CA GLY A 100 227.839 256.724 251.848 1.00 0.00 C +ATOM 101 CA PHE A 101 227.936 255.876 255.562 1.00 0.00 C +ATOM 102 CA SER A 102 227.609 254.258 258.995 1.00 0.00 C +ATOM 103 CA ASN A 103 229.274 253.680 262.373 1.00 0.00 C +ATOM 104 CA PRO A 104 230.898 250.235 262.463 1.00 0.00 C +ATOM 105 CA PRO A 105 231.183 247.916 259.454 1.00 0.00 C +ATOM 106 CA SER A 106 232.420 245.292 256.984 1.00 0.00 C +ATOM 107 CA PHE A 107 233.297 241.630 257.566 1.00 0.00 C +ATOM 108 CA PRO A 108 236.586 240.344 258.995 1.00 0.00 C +ATOM 109 CA ASN A 109 238.699 239.341 255.987 1.00 0.00 C +ATOM 110 CA SER A 110 240.093 241.804 253.437 1.00 0.00 C +ATOM 111 CA ALA A 111 243.304 243.337 252.073 1.00 0.00 C +ATOM 112 CA ASP A 112 244.253 243.322 248.383 1.00 0.00 C +ATOM 113 CA SER A 113 246.687 246.012 247.219 1.00 0.00 C +ATOM 114 CA SER A 114 248.276 248.368 249.756 1.00 0.00 C +ATOM 115 CA SER A 115 249.527 249.656 253.117 1.00 0.00 C +ATOM 116 CA THR A 116 248.617 252.725 255.184 1.00 0.00 C +ATOM 117 CA PHE A 117 246.820 255.978 256.023 1.00 0.00 C +ATOM 118 CA ARG A 118 244.934 257.720 253.208 1.00 0.00 C +ATOM 119 CA PRO A 119 243.162 259.632 250.430 1.00 0.00 C +ATOM 120 CA LYS A 120 244.647 260.714 247.092 1.00 0.00 C +ATOM 121 CA GLN A 121 244.934 261.967 243.506 1.00 0.00 C +ATOM 122 CA SER A 122 247.839 261.474 241.091 1.00 0.00 C +ATOM 123 CA LYS A 123 249.566 263.956 238.773 1.00 0.00 C +ATOM 124 CA PRO A 124 252.145 264.288 235.988 1.00 0.00 C +ATOM 125 CA GLU A 125 254.833 261.669 236.643 1.00 0.00 C +ATOM 126 CA PRO A 126 256.155 260.078 233.443 1.00 0.00 C +ATOM 127 CA GLY A 127 259.918 260.673 233.456 1.00 0.00 C +ATOM 128 CA SER A 128 262.512 262.163 231.096 1.00 0.00 C +ATOM 129 CA ALA A 129 266.307 262.186 231.424 1.00 0.00 C +ATOM 130 CA LYS A 130 267.288 264.707 234.108 1.00 0.00 C +ATOM 131 CA LEU A 131 266.836 265.337 237.838 1.00 0.00 C +ATOM 132 CA SER A 132 266.351 262.431 240.255 1.00 0.00 C +ATOM 133 CA ALA A 133 265.571 260.588 243.496 1.00 0.00 C +ATOM 134 CA PRO A 134 265.533 259.893 247.242 1.00 0.00 C +ATOM 135 CA PRO A 135 265.650 256.155 247.970 1.00 0.00 C +ATOM 136 CA LEU A 136 266.097 255.527 251.701 1.00 0.00 C +ATOM 137 CA ASN A 137 264.981 252.844 254.166 1.00 0.00 C +ATOM 138 CA VAL A 138 267.741 252.422 256.758 1.00 0.00 C +ATOM 139 CA VAL A 139 271.357 252.180 257.934 1.00 0.00 C +ATOM 140 CA LYS A 140 273.649 254.189 255.649 1.00 0.00 C +ATOM 141 CA THR A 141 273.489 257.000 253.081 1.00 0.00 C +ATOM 142 CA ARG A 142 272.693 258.152 249.538 1.00 0.00 C +ATOM 143 CA ILE A 143 273.294 260.237 246.406 1.00 0.00 C +ATOM 144 CA THR A 144 272.402 263.939 246.275 1.00 0.00 C +ATOM 145 CA ILE A 145 270.952 265.678 243.211 1.00 0.00 C +ATOM 146 CA SER A 146 271.954 269.232 242.270 1.00 0.00 C +ATOM 147 CA ASP A 147 271.645 272.989 241.718 1.00 0.00 C +ATOM 148 CA ASN A 148 273.129 276.405 242.520 1.00 0.00 C +ATOM 149 CA LEU A 149 275.981 276.199 245.038 1.00 0.00 C +ATOM 150 CA SER A 150 274.676 274.270 248.053 1.00 0.00 C +ATOM 151 CA THR A 151 273.937 271.589 250.657 1.00 0.00 C +ATOM 152 CA ASP A 152 270.590 270.169 251.798 1.00 0.00 C +ATOM 153 CA ASP A 153 268.787 266.898 252.551 1.00 0.00 C +ATOM 154 CA ASN A 154 270.933 264.052 253.896 1.00 0.00 C +ATOM 155 CA LYS A 155 274.668 263.321 253.705 1.00 0.00 C +ATOM 156 CA LYS A 156 278.271 262.780 252.592 1.00 0.00 C +ATOM 157 CA ASN A 157 279.057 265.560 250.108 1.00 0.00 C +ATOM 158 CA ARG A 158 282.158 264.688 248.074 1.00 0.00 C +ATOM 159 CA ARG A 159 281.283 262.506 245.075 1.00 0.00 C +ATOM 160 CA LEU A 160 279.667 259.221 244.023 1.00 0.00 C +ATOM 161 CA MET A 161 280.472 255.547 244.631 1.00 0.00 C +ATOM 162 CA ALA A 162 279.886 253.449 247.757 1.00 0.00 C +ATOM 163 CA LEU A 163 282.253 250.465 247.858 1.00 0.00 C +ATOM 164 CA LYS A 164 285.682 251.551 249.116 1.00 0.00 C +ATOM 165 CA PRO A 165 289.150 250.044 248.657 1.00 0.00 C +ATOM 166 CA LYS A 166 292.496 248.974 250.133 1.00 0.00 C +ATOM 167 CA LEU A 167 296.137 250.088 250.010 1.00 0.00 C +ATOM 168 CA PRO A 168 298.910 248.784 252.275 1.00 0.00 C +ATOM 169 CA LYS A 169 299.697 246.898 255.490 1.00 0.00 C +ATOM 170 CA SER A 170 297.604 243.949 256.691 1.00 0.00 C +ATOM 171 CA ALA A 171 295.571 240.807 255.978 1.00 0.00 C +ATOM 172 CA SER A 172 294.339 237.736 257.867 1.00 0.00 C +ATOM 173 CA THR A 173 294.246 234.585 255.727 1.00 0.00 C +ATOM 174 CA SER A 174 294.766 230.917 254.838 1.00 0.00 C +ATOM 175 CA ASN A 175 294.284 227.172 254.327 1.00 0.00 C +ATOM 176 CA PRO A 176 294.500 224.891 251.284 1.00 0.00 C +ATOM 177 CA ASP A 177 295.154 226.007 247.700 1.00 0.00 C +ATOM 178 CA THR A 178 296.869 229.282 246.777 1.00 0.00 C +ATOM 179 CA PRO A 179 298.362 231.241 249.684 1.00 0.00 C +ATOM 180 CA ALA A 180 300.616 233.987 251.061 1.00 0.00 C +ATOM 181 CA TYR A 181 301.366 234.590 254.747 1.00 0.00 C +ATOM 182 CA SER A 182 303.390 231.754 256.290 1.00 0.00 C +ATOM 183 CA GLY A 183 303.391 230.404 259.853 1.00 0.00 C +ATOM 184 CA GLU A 184 306.749 228.688 260.398 1.00 0.00 C +ATOM 185 CA ILE A 185 307.731 225.056 259.797 1.00 0.00 C +ATOM 186 CA MET A 186 305.697 221.844 260.049 1.00 0.00 C +ATOM 187 CA ASN A 187 303.337 220.680 257.295 1.00 0.00 C +ATOM 188 CA LEU A 188 301.048 222.784 255.092 1.00 0.00 C +ATOM 189 CA ASN A 189 300.074 225.924 257.017 1.00 0.00 C +TER 190 ASN A 189 +END diff --git a/Fungi/A0A397GH67/A0A397GH67.dcd b/Fungi/A0A397GH67/A0A397GH67.dcd new file mode 100644 index 0000000000000000000000000000000000000000..063df54387d84417d3b1be37c4fa3985a9ba4101 --- /dev/null +++ b/Fungi/A0A397GH67/A0A397GH67.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a8abd943c91801fe7e01a18d61ea052daf053308609046925448f8d58c69f8c9 +size 12320276 diff --git a/Fungi/A0A397GH67/top.pdb b/Fungi/A0A397GH67/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b47b2decf2516b37c12143f910868ff234cba08e --- /dev/null +++ b/Fungi/A0A397GH67/top.pdb @@ -0,0 +1,100 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 296.656 250.588 267.028 1.00 0.00 C +ATOM 2 CA ILE A 2 293.578 250.283 269.252 1.00 0.00 C +ATOM 3 CA ASN A 3 290.989 250.850 271.990 1.00 0.00 C +ATOM 4 CA PHE A 4 287.602 250.841 273.735 1.00 0.00 C +ATOM 5 CA TYR A 5 287.682 248.930 277.030 1.00 0.00 C +ATOM 6 CA TYR A 6 286.073 245.481 277.216 1.00 0.00 C +ATOM 7 CA ASN A 7 283.590 245.250 280.097 1.00 0.00 C +ATOM 8 CA GLN A 8 282.451 242.371 282.316 1.00 0.00 C +ATOM 9 CA VAL A 9 280.659 239.220 283.491 1.00 0.00 C +ATOM 10 CA PRO A 10 282.945 237.538 286.032 1.00 0.00 C +ATOM 11 CA ILE A 11 284.089 238.645 289.494 1.00 0.00 C +ATOM 12 CA LEU A 12 281.120 238.849 291.872 1.00 0.00 C +ATOM 13 CA GLU A 13 278.488 240.285 294.223 1.00 0.00 C +ATOM 14 CA VAL A 14 275.821 238.912 296.573 1.00 0.00 C +ATOM 15 CA PRO A 15 273.230 236.449 295.256 1.00 0.00 C +ATOM 16 CA HIS A 16 271.074 237.599 292.333 1.00 0.00 C +ATOM 17 CA CYS A 17 271.415 241.310 291.540 1.00 0.00 C +ATOM 18 CA ASN A 18 268.955 243.016 289.184 1.00 0.00 C +ATOM 19 CA ASN A 19 265.180 242.722 289.607 1.00 0.00 C +ATOM 20 CA ASN A 20 263.926 241.863 293.101 1.00 0.00 C +ATOM 21 CA ASN A 21 260.279 240.805 292.783 1.00 0.00 C +ATOM 22 CA ASN A 22 256.886 239.072 292.793 1.00 0.00 C +ATOM 23 CA ASN A 23 253.738 238.312 290.786 1.00 0.00 C +ATOM 24 CA LYS A 24 253.291 237.875 287.027 1.00 0.00 C +ATOM 25 CA THR A 25 253.110 240.377 284.160 1.00 0.00 C +ATOM 26 CA MET A 26 253.428 243.743 282.403 1.00 0.00 C +ATOM 27 CA GLY A 27 250.469 246.138 282.254 1.00 0.00 C +ATOM 28 CA GLN A 28 249.630 248.278 279.216 1.00 0.00 C +ATOM 29 CA GLU A 29 249.668 248.579 275.418 1.00 0.00 C +ATOM 30 CA SER A 30 247.107 251.079 274.110 1.00 0.00 C +ATOM 31 CA ARG A 31 246.360 251.727 270.431 1.00 0.00 C +ATOM 32 CA GLY A 32 244.142 251.885 267.338 1.00 0.00 C +ATOM 33 CA TYR A 33 241.993 253.409 264.585 1.00 0.00 C +ATOM 34 CA ASN A 34 238.685 254.901 265.744 1.00 0.00 C +ATOM 35 CA ASN A 35 237.448 255.070 269.344 1.00 0.00 C +ATOM 36 CA ASN A 36 234.262 254.908 271.427 1.00 0.00 C +ATOM 37 CA ASN A 37 230.874 253.197 271.761 1.00 0.00 C +ATOM 38 CA ASN A 38 230.559 249.862 269.946 1.00 0.00 C +ATOM 39 CA ASN A 39 229.581 247.343 272.632 1.00 0.00 C +ATOM 40 CA ASN A 40 227.412 244.818 270.777 1.00 0.00 C +ATOM 41 CA ASN A 41 227.323 244.973 266.972 1.00 0.00 C +ATOM 42 CA LYS A 42 226.036 243.916 263.545 1.00 0.00 C +ATOM 43 CA THR A 43 228.568 243.836 260.699 1.00 0.00 C +ATOM 44 CA ASN A 44 231.355 244.232 258.132 1.00 0.00 C +ATOM 45 CA ARG A 45 233.862 243.457 255.369 1.00 0.00 C +ATOM 46 CA GLU A 46 236.190 245.920 253.629 1.00 0.00 C +ATOM 47 CA ASP A 47 235.842 246.713 249.919 1.00 0.00 C +ATOM 48 CA TYR A 48 238.650 245.128 247.890 1.00 0.00 C +ATOM 49 CA ASN A 49 238.380 242.429 245.214 1.00 0.00 C +ATOM 50 CA ASN A 50 239.200 240.153 242.271 1.00 0.00 C +ATOM 51 CA ASN A 51 238.972 242.039 238.969 1.00 0.00 C +ATOM 52 CA ASN A 52 240.712 245.404 238.565 1.00 0.00 C +ATOM 53 CA ASN A 53 242.820 248.298 237.261 1.00 0.00 C +ATOM 54 CA ASN A 54 240.581 251.291 236.526 1.00 0.00 C +ATOM 55 CA ASN A 55 241.323 254.894 237.519 1.00 0.00 C +ATOM 56 CA ASN A 56 240.959 258.639 236.921 1.00 0.00 C +ATOM 57 CA ASN A 57 241.676 262.087 235.467 1.00 0.00 C +ATOM 58 CA ASN A 58 240.962 264.453 232.567 1.00 0.00 C +ATOM 59 CA ASN A 59 240.916 268.135 231.590 1.00 0.00 C +ATOM 60 CA ASN A 60 241.193 271.627 230.093 1.00 0.00 C +ATOM 61 CA ASN A 61 243.014 273.667 227.439 1.00 0.00 C +ATOM 62 CA ASN A 62 245.285 275.149 224.763 1.00 0.00 C +ATOM 63 CA ASN A 63 245.943 274.035 221.179 1.00 0.00 C +ATOM 64 CA ASN A 64 243.170 272.343 219.187 1.00 0.00 C +ATOM 65 CA ASN A 65 241.955 274.055 216.008 1.00 0.00 C +ATOM 66 CA LYS A 66 240.605 271.991 213.104 1.00 0.00 C +ATOM 67 CA THR A 67 239.988 268.476 211.771 1.00 0.00 C +ATOM 68 CA VAL A 68 238.925 264.905 212.566 1.00 0.00 C +ATOM 69 CA GLY A 69 238.791 261.623 214.497 1.00 0.00 C +ATOM 70 CA ALA A 70 238.228 259.034 217.235 1.00 0.00 C +ATOM 71 CA ARG A 71 239.549 258.971 220.808 1.00 0.00 C +ATOM 72 CA ILE A 72 239.832 255.818 222.928 1.00 0.00 C +ATOM 73 CA ASN A 73 243.066 254.085 221.901 1.00 0.00 C +ATOM 74 CA ARG A 74 246.059 252.342 220.314 1.00 0.00 C +ATOM 75 CA GLY A 75 248.163 251.794 217.185 1.00 0.00 C +ATOM 76 CA GLY A 76 247.454 253.195 213.714 1.00 0.00 C +ATOM 77 CA TYR A 77 246.602 256.856 214.340 1.00 0.00 C +ATOM 78 CA ASN A 78 247.917 258.262 217.628 1.00 0.00 C +ATOM 79 CA ASN A 79 250.976 256.690 219.267 1.00 0.00 C +ATOM 80 CA ASN A 80 253.748 254.868 221.142 1.00 0.00 C +ATOM 81 CA ASN A 81 255.827 252.577 223.365 1.00 0.00 C +ATOM 82 CA ASN A 82 258.794 250.392 222.396 1.00 0.00 C +ATOM 83 CA ASN A 83 259.141 246.625 222.850 1.00 0.00 C +ATOM 84 CA ASN A 84 255.901 244.639 223.122 1.00 0.00 C +ATOM 85 CA LYS A 85 253.039 247.144 222.890 1.00 0.00 C +ATOM 86 CA THR A 86 249.583 247.697 224.394 1.00 0.00 C +ATOM 87 CA ASN A 87 245.782 247.595 224.635 1.00 0.00 C +ATOM 88 CA ARG A 88 243.373 245.158 222.969 1.00 0.00 C +ATOM 89 CA GLU A 89 241.109 245.502 219.924 1.00 0.00 C +ATOM 90 CA ASP A 90 237.743 246.818 218.721 1.00 0.00 C +ATOM 91 CA TYR A 91 236.439 244.210 216.267 1.00 0.00 C +ATOM 92 CA SER A 92 234.874 241.216 214.507 1.00 0.00 C +ATOM 93 CA ALA A 93 231.475 239.925 213.366 1.00 0.00 C +ATOM 94 CA GLU A 94 228.342 241.972 212.656 1.00 0.00 C +ATOM 95 CA PRO A 95 225.154 243.766 211.591 1.00 0.00 C +ATOM 96 CA LEU A 96 224.190 246.601 213.948 1.00 0.00 C +TER 97 LEU A 96 +END diff --git a/Fungi/A0A397GPU9/A0A397GPU9.dcd b/Fungi/A0A397GPU9/A0A397GPU9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..02b69b90819599313c3545b58bf55ad60fae360c --- /dev/null +++ b/Fungi/A0A397GPU9/A0A397GPU9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:21327c0c6361b69f64e644b335c431a57bef07f0a08612f4f393afba6466b684 +size 42240276 diff --git a/Fungi/A0A397GPU9/top.pdb b/Fungi/A0A397GPU9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d3db8b41baa2474c8bc109e448037a0f2f049701 --- /dev/null +++ b/Fungi/A0A397GPU9/top.pdb @@ -0,0 +1,232 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 191.472 307.758 259.005 1.00 0.00 C +ATOM 2 CA THR A 2 194.461 309.869 257.945 1.00 0.00 C +ATOM 3 CA GLN A 3 195.104 313.203 256.216 1.00 0.00 C +ATOM 4 CA ILE A 4 194.843 312.533 252.475 1.00 0.00 C +ATOM 5 CA LEU A 5 192.753 314.664 250.107 1.00 0.00 C +ATOM 6 CA THR A 6 192.422 314.041 246.363 1.00 0.00 C +ATOM 7 CA LYS A 7 194.102 316.122 243.649 1.00 0.00 C +ATOM 8 CA LYS A 8 191.479 316.982 241.023 1.00 0.00 C +ATOM 9 CA ARG A 9 192.031 315.124 237.743 1.00 0.00 C +ATOM 10 CA LYS A 10 190.060 314.496 234.544 1.00 0.00 C +ATOM 11 CA VAL A 11 189.620 311.444 232.305 1.00 0.00 C +ATOM 12 CA THR A 12 186.325 310.610 230.584 1.00 0.00 C +ATOM 13 CA GLN A 13 184.874 307.607 232.426 1.00 0.00 C +ATOM 14 CA VAL A 14 182.320 309.062 234.850 1.00 0.00 C +ATOM 15 CA ARG A 15 179.381 307.064 236.223 1.00 0.00 C +ATOM 16 CA GLU A 16 177.432 304.155 237.725 1.00 0.00 C +ATOM 17 CA ASN A 17 175.174 301.479 236.224 1.00 0.00 C +ATOM 18 CA GLU A 18 175.462 298.021 237.796 1.00 0.00 C +ATOM 19 CA ASP A 19 173.646 294.748 237.083 1.00 0.00 C +ATOM 20 CA GLU A 20 170.189 293.165 237.320 1.00 0.00 C +ATOM 21 CA ASP A 21 170.095 291.375 240.682 1.00 0.00 C +ATOM 22 CA GLU A 22 166.721 289.674 241.170 1.00 0.00 C +ATOM 23 CA GLY A 23 163.192 288.866 242.360 1.00 0.00 C +ATOM 24 CA LYS A 24 161.244 285.609 242.694 1.00 0.00 C +ATOM 25 CA VAL A 25 158.409 284.208 244.820 1.00 0.00 C +ATOM 26 CA ASN A 26 158.422 281.569 247.568 1.00 0.00 C +ATOM 27 CA ARG A 27 158.708 278.696 250.053 1.00 0.00 C +ATOM 28 CA ASN A 28 160.311 277.918 253.421 1.00 0.00 C +ATOM 29 CA GLU A 29 159.015 277.368 256.962 1.00 0.00 C +ATOM 30 CA ARG A 30 161.116 279.528 259.293 1.00 0.00 C +ATOM 31 CA GLU A 31 164.912 279.839 259.186 1.00 0.00 C +ATOM 32 CA ARG A 32 166.641 280.065 262.574 1.00 0.00 C +ATOM 33 CA SER A 33 167.098 282.060 265.788 1.00 0.00 C +ATOM 34 CA GLY A 34 169.700 282.462 268.542 1.00 0.00 C +ATOM 35 CA GLU A 35 173.448 282.536 269.221 1.00 0.00 C +ATOM 36 CA ARG A 36 175.378 280.582 266.580 1.00 0.00 C +ATOM 37 CA SER A 37 174.471 277.311 264.849 1.00 0.00 C +ATOM 38 CA GLU A 38 171.552 276.501 262.539 1.00 0.00 C +ATOM 39 CA LYS A 39 171.857 272.808 261.654 1.00 0.00 C +ATOM 40 CA GLU A 40 175.535 271.912 261.225 1.00 0.00 C +ATOM 41 CA ARG A 41 177.842 272.262 258.214 1.00 0.00 C +ATOM 42 CA SER A 42 179.405 275.726 258.496 1.00 0.00 C +ATOM 43 CA ARG A 43 182.995 275.693 257.222 1.00 0.00 C +ATOM 44 CA GLU A 44 186.305 274.486 255.771 1.00 0.00 C +ATOM 45 CA GLY A 45 187.225 275.525 252.223 1.00 0.00 C +ATOM 46 CA ARG A 46 187.524 272.380 250.092 1.00 0.00 C +ATOM 47 CA ARG A 47 185.280 272.716 247.031 1.00 0.00 C +ATOM 48 CA SER A 48 186.820 271.248 243.870 1.00 0.00 C +ATOM 49 CA GLY A 49 186.142 272.676 240.404 1.00 0.00 C +ATOM 50 CA GLU A 50 186.848 270.249 237.553 1.00 0.00 C +ATOM 51 CA ARG A 51 186.787 270.455 233.749 1.00 0.00 C +ATOM 52 CA ARG A 52 190.414 271.108 232.781 1.00 0.00 C +ATOM 53 CA SER A 53 193.320 273.554 232.482 1.00 0.00 C +ATOM 54 CA GLU A 54 195.998 272.611 235.022 1.00 0.00 C +ATOM 55 CA GLU A 55 198.347 269.722 235.830 1.00 0.00 C +ATOM 56 CA ARG A 56 201.331 267.530 234.935 1.00 0.00 C +ATOM 57 CA ASN A 57 204.782 268.682 233.801 1.00 0.00 C +ATOM 58 CA LYS A 58 208.560 268.243 233.578 1.00 0.00 C +ATOM 59 CA GLU A 59 211.796 268.058 235.580 1.00 0.00 C +ATOM 60 CA ARG A 60 213.142 270.850 237.796 1.00 0.00 C +ATOM 61 CA LYS A 61 212.870 270.174 241.536 1.00 0.00 C +ATOM 62 CA SER A 62 213.287 266.513 242.506 1.00 0.00 C +ATOM 63 CA GLU A 63 213.768 263.595 244.908 1.00 0.00 C +ATOM 64 CA LYS A 64 216.535 263.180 247.494 1.00 0.00 C +ATOM 65 CA ARG A 65 216.229 265.777 250.265 1.00 0.00 C +ATOM 66 CA LYS A 66 214.358 269.013 250.997 1.00 0.00 C +ATOM 67 CA ARG A 67 211.582 270.177 253.333 1.00 0.00 C +ATOM 68 CA ARG A 68 212.596 270.799 256.953 1.00 0.00 C +ATOM 69 CA SER A 69 214.685 268.245 258.859 1.00 0.00 C +ATOM 70 CA ARG A 70 217.797 267.508 256.789 1.00 0.00 C +ATOM 71 CA GLU A 71 220.050 264.876 255.204 1.00 0.00 C +ATOM 72 CA ARG A 72 223.197 266.621 253.950 1.00 0.00 C +ATOM 73 CA SER A 73 223.340 269.577 251.551 1.00 0.00 C +ATOM 74 CA GLU A 74 222.072 272.784 253.172 1.00 0.00 C +ATOM 75 CA GLU A 75 220.155 274.371 256.057 1.00 0.00 C +ATOM 76 CA ARG A 76 216.909 276.326 255.659 1.00 0.00 C +ATOM 77 CA ASN A 77 216.181 280.044 256.068 1.00 0.00 C +ATOM 78 CA GLU A 78 212.664 281.503 256.208 1.00 0.00 C +ATOM 79 CA GLU A 79 209.630 279.216 256.489 1.00 0.00 C +ATOM 80 CA ARG A 80 208.237 276.597 254.099 1.00 0.00 C +ATOM 81 CA GLU A 81 207.289 275.971 250.462 1.00 0.00 C +ATOM 82 CA GLU A 82 207.871 278.088 247.348 1.00 0.00 C +ATOM 83 CA ARG A 83 210.183 276.351 244.868 1.00 0.00 C +ATOM 84 CA SER A 84 213.986 276.297 245.083 1.00 0.00 C +ATOM 85 CA GLU A 85 217.173 278.385 245.105 1.00 0.00 C +ATOM 86 CA LYS A 86 216.225 282.027 244.510 1.00 0.00 C +ATOM 87 CA ARG A 87 216.271 283.265 240.907 1.00 0.00 C +ATOM 88 CA GLU A 88 214.040 282.677 237.875 1.00 0.00 C +ATOM 89 CA GLU A 89 212.195 282.316 234.561 1.00 0.00 C +ATOM 90 CA ARG A 90 214.335 283.348 231.582 1.00 0.00 C +ATOM 91 CA ARG A 91 218.130 283.567 231.331 1.00 0.00 C +ATOM 92 CA SER A 92 219.268 287.203 231.361 1.00 0.00 C +ATOM 93 CA GLU A 93 220.868 289.013 228.415 1.00 0.00 C +ATOM 94 CA GLU A 94 221.438 289.711 224.713 1.00 0.00 C +ATOM 95 CA LYS A 95 225.161 289.836 223.915 1.00 0.00 C +ATOM 96 CA GLU A 96 227.069 292.480 225.886 1.00 0.00 C +ATOM 97 CA GLY A 97 226.076 295.781 227.511 1.00 0.00 C +ATOM 98 CA ARG A 98 228.507 297.616 229.800 1.00 0.00 C +ATOM 99 CA ARG A 99 228.234 298.186 233.557 1.00 0.00 C +ATOM 100 CA SER A 100 230.840 300.649 234.844 1.00 0.00 C +ATOM 101 CA GLU A 101 232.741 303.237 232.792 1.00 0.00 C +ATOM 102 CA GLU A 102 234.212 305.812 230.401 1.00 0.00 C +ATOM 103 CA ARG A 103 237.569 306.828 228.912 1.00 0.00 C +ATOM 104 CA GLU A 104 237.809 306.194 225.163 1.00 0.00 C +ATOM 105 CA ALA A 105 238.565 304.678 221.750 1.00 0.00 C +ATOM 106 CA GLU A 106 240.579 302.372 219.483 1.00 0.00 C +ATOM 107 CA LYS A 107 244.160 302.643 218.208 1.00 0.00 C +ATOM 108 CA GLU A 108 246.288 304.996 216.099 1.00 0.00 C +ATOM 109 CA GLU A 109 245.236 308.485 217.211 1.00 0.00 C +ATOM 110 CA ALA A 110 245.928 310.965 220.019 1.00 0.00 C +ATOM 111 CA GLU A 111 245.806 310.852 223.826 1.00 0.00 C +ATOM 112 CA LYS A 112 248.353 311.308 226.623 1.00 0.00 C +ATOM 113 CA GLU A 113 250.452 308.964 228.771 1.00 0.00 C +ATOM 114 CA GLU A 114 253.048 311.247 230.371 1.00 0.00 C +ATOM 115 CA THR A 115 254.666 310.802 233.792 1.00 0.00 C +ATOM 116 CA GLN A 116 257.500 308.258 233.913 1.00 0.00 C +ATOM 117 CA ILE A 117 256.982 304.515 233.423 1.00 0.00 C +ATOM 118 CA LEU A 118 259.878 302.132 234.091 1.00 0.00 C +ATOM 119 CA THR A 119 258.989 298.434 233.867 1.00 0.00 C +ATOM 120 CA LYS A 120 257.539 294.950 233.342 1.00 0.00 C +ATOM 121 CA LYS A 121 258.511 292.425 230.659 1.00 0.00 C +ATOM 122 CA ARG A 122 262.180 291.693 231.378 1.00 0.00 C +ATOM 123 CA LYS A 123 265.940 291.963 230.824 1.00 0.00 C +ATOM 124 CA VAL A 124 268.834 290.545 232.855 1.00 0.00 C +ATOM 125 CA THR A 125 268.892 288.549 236.100 1.00 0.00 C +ATOM 126 CA GLN A 126 269.270 285.535 238.400 1.00 0.00 C +ATOM 127 CA VAL A 127 269.429 283.392 241.547 1.00 0.00 C +ATOM 128 CA ARG A 128 271.756 280.451 242.215 1.00 0.00 C +ATOM 129 CA GLU A 129 275.255 278.977 241.898 1.00 0.00 C +ATOM 130 CA ASN A 130 277.640 276.052 242.417 1.00 0.00 C +ATOM 131 CA GLU A 131 278.070 273.860 245.504 1.00 0.00 C +ATOM 132 CA ASP A 132 278.412 273.262 249.251 1.00 0.00 C +ATOM 133 CA GLU A 133 275.070 272.376 250.851 1.00 0.00 C +ATOM 134 CA ASP A 134 274.475 268.666 250.220 1.00 0.00 C +ATOM 135 CA GLU A 135 276.697 265.938 251.683 1.00 0.00 C +ATOM 136 CA GLY A 136 279.825 267.341 253.346 1.00 0.00 C +ATOM 137 CA LYS A 137 282.928 265.132 253.425 1.00 0.00 C +ATOM 138 CA VAL A 138 285.731 266.221 255.765 1.00 0.00 C +ATOM 139 CA ASN A 139 284.550 265.932 259.376 1.00 0.00 C +ATOM 140 CA ARG A 140 282.814 263.583 261.823 1.00 0.00 C +ATOM 141 CA ASN A 141 279.344 262.917 263.248 1.00 0.00 C +ATOM 142 CA GLU A 142 276.007 263.655 264.933 1.00 0.00 C +ATOM 143 CA ARG A 143 272.981 263.623 267.247 1.00 0.00 C +ATOM 144 CA GLU A 144 274.067 262.417 270.694 1.00 0.00 C +ATOM 145 CA ARG A 145 275.756 259.542 272.538 1.00 0.00 C +ATOM 146 CA SER A 146 276.969 255.944 272.856 1.00 0.00 C +ATOM 147 CA GLY A 147 279.517 253.123 273.109 1.00 0.00 C +ATOM 148 CA GLU A 148 279.342 249.402 272.308 1.00 0.00 C +ATOM 149 CA ARG A 149 280.845 245.903 272.185 1.00 0.00 C +ATOM 150 CA SER A 150 284.630 245.838 272.610 1.00 0.00 C +ATOM 151 CA GLU A 151 287.797 244.357 274.124 1.00 0.00 C +ATOM 152 CA LYS A 152 290.349 241.819 272.874 1.00 0.00 C +ATOM 153 CA GLU A 153 294.124 242.173 272.500 1.00 0.00 C +ATOM 154 CA ARG A 154 295.227 238.873 270.947 1.00 0.00 C +ATOM 155 CA SER A 155 298.587 237.993 269.381 1.00 0.00 C +ATOM 156 CA ARG A 156 298.846 235.722 266.333 1.00 0.00 C +ATOM 157 CA GLU A 157 300.841 232.507 266.781 1.00 0.00 C +ATOM 158 CA GLY A 158 301.382 230.592 270.029 1.00 0.00 C +ATOM 159 CA ARG A 159 304.878 229.093 269.815 1.00 0.00 C +ATOM 160 CA ARG A 160 308.409 230.460 269.393 1.00 0.00 C +ATOM 161 CA SER A 161 310.870 228.126 267.658 1.00 0.00 C +ATOM 162 CA GLY A 162 308.864 225.143 266.397 1.00 0.00 C +ATOM 163 CA GLU A 163 306.459 222.273 265.692 1.00 0.00 C +ATOM 164 CA ARG A 164 305.594 219.592 263.128 1.00 0.00 C +ATOM 165 CA ARG A 165 306.499 216.362 261.320 1.00 0.00 C +ATOM 166 CA SER A 166 306.353 213.352 263.652 1.00 0.00 C +ATOM 167 CA GLU A 167 305.014 209.842 264.290 1.00 0.00 C +ATOM 168 CA GLU A 168 301.475 208.470 264.613 1.00 0.00 C +ATOM 169 CA ARG A 169 300.200 205.091 263.399 1.00 0.00 C +ATOM 170 CA ASN A 170 300.099 203.072 260.169 1.00 0.00 C +ATOM 171 CA LYS A 171 300.993 199.396 260.615 1.00 0.00 C +ATOM 172 CA GLU A 172 304.642 198.399 260.161 1.00 0.00 C +ATOM 173 CA ARG A 173 306.913 196.042 258.210 1.00 0.00 C +ATOM 174 CA LYS A 174 310.244 194.194 258.116 1.00 0.00 C +ATOM 175 CA SER A 175 312.253 191.751 260.240 1.00 0.00 C +ATOM 176 CA GLU A 176 313.436 188.469 261.771 1.00 0.00 C +ATOM 177 CA LYS A 177 311.074 185.480 261.708 1.00 0.00 C +ATOM 178 CA ARG A 178 308.183 185.526 264.189 1.00 0.00 C +ATOM 179 CA LYS A 179 307.298 181.947 265.149 1.00 0.00 C +ATOM 180 CA ARG A 180 304.666 179.832 263.383 1.00 0.00 C +ATOM 181 CA ARG A 181 303.356 176.535 261.995 1.00 0.00 C +ATOM 182 CA SER A 182 300.771 174.445 263.857 1.00 0.00 C +ATOM 183 CA ARG A 183 299.759 173.176 267.304 1.00 0.00 C +ATOM 184 CA GLU A 184 302.896 173.259 269.463 1.00 0.00 C +ATOM 185 CA ARG A 185 305.817 170.900 268.813 1.00 0.00 C +ATOM 186 CA SER A 186 309.004 169.514 267.253 1.00 0.00 C +ATOM 187 CA GLU A 187 310.842 170.476 264.057 1.00 0.00 C +ATOM 188 CA GLU A 188 314.068 168.508 263.572 1.00 0.00 C +ATOM 189 CA ARG A 189 315.649 168.064 267.010 1.00 0.00 C +ATOM 190 CA ASN A 190 315.449 165.047 269.328 1.00 0.00 C +ATOM 191 CA GLU A 191 312.550 164.153 271.633 1.00 0.00 C +ATOM 192 CA GLU A 192 310.928 161.028 273.089 1.00 0.00 C +ATOM 193 CA ARG A 193 308.802 158.450 271.258 1.00 0.00 C +ATOM 194 CA GLU A 194 309.261 154.670 271.132 1.00 0.00 C +ATOM 195 CA GLU A 195 311.192 151.994 269.228 1.00 0.00 C +ATOM 196 CA ARG A 196 311.568 151.162 265.530 1.00 0.00 C +ATOM 197 CA SER A 197 314.709 149.274 264.486 1.00 0.00 C +ATOM 198 CA GLU A 198 317.423 151.183 262.613 1.00 0.00 C +ATOM 199 CA LYS A 199 316.957 154.899 263.312 1.00 0.00 C +ATOM 200 CA ARG A 200 317.821 158.575 263.821 1.00 0.00 C +ATOM 201 CA GLU A 201 320.942 160.675 264.430 1.00 0.00 C +ATOM 202 CA GLU A 202 323.497 162.571 262.334 1.00 0.00 C +ATOM 203 CA ARG A 203 326.685 163.721 260.593 1.00 0.00 C +ATOM 204 CA ARG A 204 325.855 166.952 258.753 1.00 0.00 C +ATOM 205 CA SER A 205 325.503 170.743 258.916 1.00 0.00 C +ATOM 206 CA GLU A 206 322.790 172.993 260.362 1.00 0.00 C +ATOM 207 CA GLU A 207 319.421 174.039 258.923 1.00 0.00 C +ATOM 208 CA LYS A 208 315.657 174.331 259.434 1.00 0.00 C +ATOM 209 CA GLU A 209 312.578 176.559 259.709 1.00 0.00 C +ATOM 210 CA GLY A 210 310.097 176.779 256.827 1.00 0.00 C +ATOM 211 CA ARG A 211 310.540 174.018 254.239 1.00 0.00 C +ATOM 212 CA ARG A 212 312.222 170.601 254.147 1.00 0.00 C +ATOM 213 CA SER A 213 315.246 169.332 256.087 1.00 0.00 C +ATOM 214 CA GLU A 214 317.470 166.973 254.086 1.00 0.00 C +ATOM 215 CA GLU A 215 315.082 165.189 251.713 1.00 0.00 C +ATOM 216 CA ARG A 216 314.041 167.748 249.089 1.00 0.00 C +ATOM 217 CA GLU A 217 314.428 169.589 245.776 1.00 0.00 C +ATOM 218 CA ALA A 218 313.856 170.216 242.062 1.00 0.00 C +ATOM 219 CA GLU A 219 310.859 168.344 240.636 1.00 0.00 C +ATOM 220 CA LYS A 220 309.749 164.869 239.538 1.00 0.00 C +ATOM 221 CA GLU A 221 312.002 162.319 237.822 1.00 0.00 C +ATOM 222 CA GLU A 222 314.482 160.900 240.342 1.00 0.00 C +ATOM 223 CA ALA A 223 317.812 162.750 240.370 1.00 0.00 C +ATOM 224 CA GLU A 224 317.819 165.798 238.083 1.00 0.00 C +ATOM 225 CA LYS A 225 320.335 168.362 236.814 1.00 0.00 C +ATOM 226 CA GLU A 226 319.899 171.789 238.421 1.00 0.00 C +ATOM 227 CA GLU A 227 318.648 175.009 240.028 1.00 0.00 C +ATOM 228 CA VAL A 228 316.922 177.168 237.405 1.00 0.00 C +TER 229 VAL A 228 +END diff --git a/Fungi/A0A397J3Y2/A0A397J3Y2.dcd b/Fungi/A0A397J3Y2/A0A397J3Y2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d5e45302d78d90d5962dce91c70c5976d0130756 --- /dev/null +++ b/Fungi/A0A397J3Y2/A0A397J3Y2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:92dad93087ba34d64d02141e3966c025dd30f55d536496ec7fc56009043d9372 +size 6800276 diff --git a/Fungi/A0A397J3Y2/top.pdb b/Fungi/A0A397J3Y2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a8abdea6d1b1b4627e3e7b216d856a6012834f01 --- /dev/null +++ b/Fungi/A0A397J3Y2/top.pdb @@ -0,0 +1,54 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 259.503 211.661 252.238 1.00 0.00 C +ATOM 2 CA SER A 2 260.387 213.871 255.214 1.00 0.00 C +ATOM 3 CA GLU A 3 259.157 215.743 258.295 1.00 0.00 C +ATOM 4 CA GLN A 4 257.467 219.105 257.694 1.00 0.00 C +ATOM 5 CA TYR A 5 256.495 220.392 261.146 1.00 0.00 C +ATOM 6 CA HIS A 6 254.679 221.843 264.164 1.00 0.00 C +ATOM 7 CA TYR A 7 252.013 224.564 264.230 1.00 0.00 C +ATOM 8 CA PRO A 8 248.528 223.996 262.798 1.00 0.00 C +ATOM 9 CA SER A 9 246.285 227.075 262.737 1.00 0.00 C +ATOM 10 CA GLN A 10 244.736 230.232 261.270 1.00 0.00 C +ATOM 11 CA ASP A 11 245.604 233.814 260.303 1.00 0.00 C +ATOM 12 CA GLN A 12 248.913 234.253 258.466 1.00 0.00 C +ATOM 13 CA TYR A 13 251.762 235.257 256.144 1.00 0.00 C +ATOM 14 CA PRO A 14 252.079 237.647 253.194 1.00 0.00 C +ATOM 15 CA PRO A 15 249.377 237.999 250.531 1.00 0.00 C +ATOM 16 CA PRO A 16 246.785 240.720 251.158 1.00 0.00 C +ATOM 17 CA PRO A 17 246.096 244.287 250.012 1.00 0.00 C +ATOM 18 CA GLN A 18 243.763 246.028 252.470 1.00 0.00 C +ATOM 19 CA GLN A 19 245.947 248.028 254.867 1.00 0.00 C +ATOM 20 CA GLY A 20 249.431 249.005 256.061 1.00 0.00 C +ATOM 21 CA TYR A 21 251.647 251.855 257.276 1.00 0.00 C +ATOM 22 CA TYR A 22 254.688 251.704 254.985 1.00 0.00 C +ATOM 23 CA PRO A 23 258.371 251.233 254.130 1.00 0.00 C +ATOM 24 CA PRO A 24 259.913 254.561 253.099 1.00 0.00 C +ATOM 25 CA GLN A 25 261.290 257.865 251.792 1.00 0.00 C +ATOM 26 CA PRO A 26 259.609 261.222 252.441 1.00 0.00 C +ATOM 27 CA GLN A 27 257.382 263.006 254.966 1.00 0.00 C +ATOM 28 CA PRO A 28 254.638 265.649 254.904 1.00 0.00 C +ATOM 29 CA GLN A 29 255.238 269.361 255.517 1.00 0.00 C +ATOM 30 CA PRO A 30 255.006 271.426 252.324 1.00 0.00 C +ATOM 31 CA GLN A 31 251.698 271.930 250.502 1.00 0.00 C +ATOM 32 CA THR A 32 249.775 272.624 247.287 1.00 0.00 C +ATOM 33 CA ILE A 33 250.997 270.630 244.279 1.00 0.00 C +ATOM 34 CA VAL A 34 249.128 267.310 244.349 1.00 0.00 C +ATOM 35 CA VAL A 35 246.987 265.488 246.920 1.00 0.00 C +ATOM 36 CA GLN A 36 244.764 262.479 247.640 1.00 0.00 C +ATOM 37 CA GLN A 37 245.678 258.812 247.154 1.00 0.00 C +ATOM 38 CA ALA A 38 245.078 256.640 244.082 1.00 0.00 C +ATOM 39 CA PRO A 39 246.059 258.116 240.709 1.00 0.00 C +ATOM 40 CA PRO A 40 244.296 256.229 237.908 1.00 0.00 C +ATOM 41 CA ASP A 41 242.213 256.117 234.720 1.00 0.00 C +ATOM 42 CA ASN A 42 240.607 259.457 233.835 1.00 0.00 C +ATOM 43 CA ASP A 43 237.913 260.897 236.111 1.00 0.00 C +ATOM 44 CA ASP A 44 239.755 262.757 238.879 1.00 0.00 C +ATOM 45 CA LYS A 45 240.863 266.318 239.663 1.00 0.00 C +ATOM 46 CA PHE A 46 244.650 266.324 239.250 1.00 0.00 C +ATOM 47 CA CYS A 47 245.824 269.936 238.953 1.00 0.00 C +ATOM 48 CA LEU A 48 248.616 271.138 236.656 1.00 0.00 C +ATOM 49 CA GLY A 49 249.327 268.463 234.037 1.00 0.00 C +ATOM 50 CA TRP A 50 248.984 264.936 232.637 1.00 0.00 C +TER 51 TRP A 50 +END diff --git a/Fungi/A0A397UK65/A0A397UK65.dcd b/Fungi/A0A397UK65/A0A397UK65.dcd new file mode 100644 index 0000000000000000000000000000000000000000..9e1c0e29a48972feb18c1db3fb23bf937682da39 --- /dev/null +++ b/Fungi/A0A397UK65/A0A397UK65.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e70bef9a91ca02c2f7012607835e7fc11f6749c241be6e38379b86c53eb1ae34 +size 15560276 diff --git a/Fungi/A0A397UK65/top.pdb b/Fungi/A0A397UK65/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7ff518dce4b6b73f08496ae28276cfba409a9150 --- /dev/null +++ b/Fungi/A0A397UK65/top.pdb @@ -0,0 +1,127 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 206.868 234.759 256.764 1.00 0.00 C +ATOM 2 CA GLN A 2 209.454 237.083 258.323 1.00 0.00 C +ATOM 3 CA GLN A 3 212.242 239.616 257.754 1.00 0.00 C +ATOM 4 CA LYS A 4 215.652 241.198 258.375 1.00 0.00 C +ATOM 5 CA LYS A 5 216.898 241.978 261.890 1.00 0.00 C +ATOM 6 CA LEU A 6 218.990 240.484 264.703 1.00 0.00 C +ATOM 7 CA PHE A 7 221.831 237.957 264.471 1.00 0.00 C +ATOM 8 CA LEU A 8 225.573 237.519 265.038 1.00 0.00 C +ATOM 9 CA PRO A 9 227.195 240.719 266.323 1.00 0.00 C +ATOM 10 CA PRO A 10 230.707 241.350 264.988 1.00 0.00 C +ATOM 11 CA GLY A 11 230.552 243.089 261.601 1.00 0.00 C +ATOM 12 CA GLU A 12 232.081 245.835 259.448 1.00 0.00 C +ATOM 13 CA GLY A 13 232.703 245.385 255.717 1.00 0.00 C +ATOM 14 CA GLU A 14 234.349 244.868 252.319 1.00 0.00 C +ATOM 15 CA SER A 15 236.950 242.605 250.699 1.00 0.00 C +ATOM 16 CA THR A 16 237.939 240.591 247.620 1.00 0.00 C +ATOM 17 CA GLU A 17 238.599 236.889 247.002 1.00 0.00 C +ATOM 18 CA ASP A 18 241.342 234.396 246.122 1.00 0.00 C +ATOM 19 CA GLU A 19 245.069 234.132 245.379 1.00 0.00 C +ATOM 20 CA GLU A 20 248.238 232.018 245.485 1.00 0.00 C +ATOM 21 CA ASP A 21 250.730 233.624 247.878 1.00 0.00 C +ATOM 22 CA GLU A 22 254.416 233.270 246.979 1.00 0.00 C +ATOM 23 CA VAL A 23 257.760 234.792 247.986 1.00 0.00 C +ATOM 24 CA VAL A 24 260.736 236.920 246.921 1.00 0.00 C +ATOM 25 CA LYS A 25 264.002 235.635 248.403 1.00 0.00 C +ATOM 26 CA GLU A 26 265.840 234.209 251.421 1.00 0.00 C +ATOM 27 CA GLU A 27 265.632 232.366 254.749 1.00 0.00 C +ATOM 28 CA ARG A 28 267.534 233.326 257.908 1.00 0.00 C +ATOM 29 CA GLY A 29 265.845 235.050 260.856 1.00 0.00 C +ATOM 30 CA ARG A 30 262.469 236.059 262.305 1.00 0.00 C +ATOM 31 CA GLY A 31 259.845 235.068 264.883 1.00 0.00 C +ATOM 32 CA LYS A 32 258.775 231.996 266.868 1.00 0.00 C +ATOM 33 CA LYS A 33 255.122 231.572 267.862 1.00 0.00 C +ATOM 34 CA ARG A 34 253.017 232.693 264.891 1.00 0.00 C +ATOM 35 CA LYS A 35 250.120 230.950 263.133 1.00 0.00 C +ATOM 36 CA LYS A 36 247.729 233.630 261.861 1.00 0.00 C +ATOM 37 CA PRO A 37 246.906 236.234 264.518 1.00 0.00 C +ATOM 38 CA GLN A 38 249.344 237.717 267.042 1.00 0.00 C +ATOM 39 CA GLN A 39 252.462 239.894 267.278 1.00 0.00 C +ATOM 40 CA SER A 40 253.549 242.655 264.889 1.00 0.00 C +ATOM 41 CA GLU A 41 252.704 245.994 266.518 1.00 0.00 C +ATOM 42 CA ARG A 42 252.471 246.682 270.258 1.00 0.00 C +ATOM 43 CA GLN A 43 252.987 244.445 273.299 1.00 0.00 C +ATOM 44 CA ALA A 44 249.850 243.479 275.234 1.00 0.00 C +ATOM 45 CA CYS A 45 246.781 245.248 273.831 1.00 0.00 C +ATOM 46 CA LYS A 46 244.830 246.751 270.925 1.00 0.00 C +ATOM 47 CA LYS A 47 241.658 248.380 269.583 1.00 0.00 C +ATOM 48 CA ASN A 48 239.399 250.205 267.117 1.00 0.00 C +ATOM 49 CA LYS A 49 236.570 249.143 264.797 1.00 0.00 C +ATOM 50 CA LYS A 50 233.173 249.792 266.397 1.00 0.00 C +ATOM 51 CA PRO A 51 229.970 249.100 264.453 1.00 0.00 C +ATOM 52 CA TYR A 52 226.332 248.881 263.344 1.00 0.00 C +ATOM 53 CA LYS A 53 223.841 246.008 263.593 1.00 0.00 C +ATOM 54 CA TYR A 54 220.902 247.008 261.384 1.00 0.00 C +ATOM 55 CA PHE A 55 219.148 249.605 259.217 1.00 0.00 C +ATOM 56 CA GLY A 56 216.649 251.317 256.906 1.00 0.00 C +ATOM 57 CA CYS A 57 218.231 253.037 253.897 1.00 0.00 C +ATOM 58 CA GLY A 58 218.403 256.838 253.700 1.00 0.00 C +ATOM 59 CA ASN A 59 220.410 259.964 254.549 1.00 0.00 C +ATOM 60 CA PHE A 60 222.155 261.695 251.638 1.00 0.00 C +ATOM 61 CA PRO A 61 222.838 263.020 248.132 1.00 0.00 C +ATOM 62 CA SER A 62 224.066 264.741 244.963 1.00 0.00 C +ATOM 63 CA ASN A 63 225.990 266.333 242.084 1.00 0.00 C +ATOM 64 CA SER A 64 223.395 267.268 239.456 1.00 0.00 C +ATOM 65 CA ARG A 65 221.455 270.422 238.561 1.00 0.00 C +ATOM 66 CA SER A 66 223.488 273.382 239.833 1.00 0.00 C +ATOM 67 CA ASN A 67 227.005 272.040 240.425 1.00 0.00 C +ATOM 68 CA SER A 68 230.597 272.546 239.261 1.00 0.00 C +ATOM 69 CA ARG A 69 233.725 271.873 237.193 1.00 0.00 C +ATOM 70 CA SER A 70 235.510 268.520 237.502 1.00 0.00 C +ATOM 71 CA ASN A 71 236.081 268.058 241.240 1.00 0.00 C +ATOM 72 CA SER A 72 238.059 270.836 242.938 1.00 0.00 C +ATOM 73 CA GLU A 73 241.489 269.294 243.548 1.00 0.00 C +ATOM 74 CA GLU A 74 245.055 269.112 242.219 1.00 0.00 C +ATOM 75 CA PRO A 75 246.965 266.205 240.664 1.00 0.00 C +ATOM 76 CA PRO A 76 249.893 266.460 238.240 1.00 0.00 C +ATOM 77 CA GLU A 77 253.392 265.003 237.851 1.00 0.00 C +ATOM 78 CA GLY A 78 254.022 261.872 239.929 1.00 0.00 C +ATOM 79 CA SER A 79 252.277 258.677 241.051 1.00 0.00 C +ATOM 80 CA THR A 80 252.839 258.035 244.764 1.00 0.00 C +ATOM 81 CA ALA A 81 251.755 257.902 248.414 1.00 0.00 C +ATOM 82 CA SER A 82 251.651 261.242 250.244 1.00 0.00 C +ATOM 83 CA ALA A 83 249.473 264.355 249.965 1.00 0.00 C +ATOM 84 CA GLY A 84 250.258 266.403 246.849 1.00 0.00 C +ATOM 85 CA HIS A 85 250.692 269.352 244.476 1.00 0.00 C +ATOM 86 CA LEU A 86 253.280 272.083 245.077 1.00 0.00 C +ATOM 87 CA ALA A 87 254.944 272.957 241.763 1.00 0.00 C +ATOM 88 CA GLU A 88 255.608 274.201 238.223 1.00 0.00 C +ATOM 89 CA LEU A 89 258.146 273.702 235.425 1.00 0.00 C +ATOM 90 CA PRO A 90 260.077 270.521 236.244 1.00 0.00 C +ATOM 91 CA GLU A 91 260.931 268.941 232.884 1.00 0.00 C +ATOM 92 CA GLY A 92 263.066 265.908 233.754 1.00 0.00 C +ATOM 93 CA SER A 93 266.040 266.489 236.064 1.00 0.00 C +ATOM 94 CA THR A 94 268.149 263.968 237.989 1.00 0.00 C +ATOM 95 CA ALA A 95 269.834 262.753 241.183 1.00 0.00 C +ATOM 96 CA SER A 96 273.542 262.946 242.036 1.00 0.00 C +ATOM 97 CA ALA A 97 277.207 262.132 241.384 1.00 0.00 C +ATOM 98 CA GLY A 98 280.128 260.232 242.924 1.00 0.00 C +ATOM 99 CA HIS A 99 281.834 257.670 240.678 1.00 0.00 C +ATOM 100 CA LEU A 100 285.551 256.834 240.715 1.00 0.00 C +ATOM 101 CA ALA A 101 286.708 253.413 241.928 1.00 0.00 C +ATOM 102 CA THR A 102 285.891 249.781 241.116 1.00 0.00 C +ATOM 103 CA HIS A 103 282.884 249.490 238.795 1.00 0.00 C +ATOM 104 CA ASP A 104 279.435 248.901 240.302 1.00 0.00 C +ATOM 105 CA GLU A 105 275.897 249.241 241.672 1.00 0.00 C +ATOM 106 CA PRO A 106 274.068 252.568 241.351 1.00 0.00 C +ATOM 107 CA GLN A 107 271.076 254.628 242.500 1.00 0.00 C +ATOM 108 CA GLU A 108 268.671 253.022 244.980 1.00 0.00 C +ATOM 109 CA GLY A 109 270.172 250.180 247.026 1.00 0.00 C +ATOM 110 CA SER A 110 269.570 246.763 245.453 1.00 0.00 C +ATOM 111 CA PHE A 111 268.828 243.200 244.326 1.00 0.00 C +ATOM 112 CA THR A 112 270.337 240.412 246.439 1.00 0.00 C +ATOM 113 CA ALA A 113 274.100 241.003 246.335 1.00 0.00 C +ATOM 114 CA SER A 114 276.984 238.529 246.065 1.00 0.00 C +ATOM 115 CA ALA A 115 278.476 236.169 243.472 1.00 0.00 C +ATOM 116 CA ARG A 116 281.505 238.062 242.146 1.00 0.00 C +ATOM 117 CA HIS A 117 281.262 240.908 239.623 1.00 0.00 C +ATOM 118 CA LEU A 118 282.101 241.845 236.027 1.00 0.00 C +ATOM 119 CA ALA A 119 279.427 242.506 233.394 1.00 0.00 C +ATOM 120 CA ILE A 120 279.537 239.647 230.878 1.00 0.00 C +ATOM 121 CA HIS A 121 280.009 236.636 228.592 1.00 0.00 C +ATOM 122 CA ASP A 122 279.441 233.031 227.498 1.00 0.00 C +ATOM 123 CA ALA A 123 281.777 232.074 224.644 1.00 0.00 C +TER 124 ALA A 123 +END diff --git a/Fungi/A0A3A2YZS2/A0A3A2YZS2.dcd b/Fungi/A0A3A2YZS2/A0A3A2YZS2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..687483f92a3f0610fb8aefb358c5c2c226041a90 --- /dev/null +++ b/Fungi/A0A3A2YZS2/A0A3A2YZS2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:42d19c851531bd309fa60887bbf8b64dc57937348036a6bb3d8333917b717263 +size 8240276 diff --git a/Fungi/A0A3A2YZS2/top.pdb b/Fungi/A0A3A2YZS2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..fb7088be638c0d88e12a557d732b6c2bf9d6d6f1 --- /dev/null +++ b/Fungi/A0A3A2YZS2/top.pdb @@ -0,0 +1,66 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 256.492 248.049 226.094 1.00 0.00 C +ATOM 2 CA ALA A 2 256.183 245.076 228.456 1.00 0.00 C +ATOM 3 CA ASP A 3 259.206 243.014 229.514 1.00 0.00 C +ATOM 4 CA GLN A 4 259.661 242.973 233.296 1.00 0.00 C +ATOM 5 CA TYR A 5 260.149 240.926 236.473 1.00 0.00 C +ATOM 6 CA SER A 6 261.887 237.840 237.877 1.00 0.00 C +ATOM 7 CA ASP A 7 260.276 234.447 238.516 1.00 0.00 C +ATOM 8 CA LYS A 8 257.059 232.440 238.883 1.00 0.00 C +ATOM 9 CA ASP A 9 257.769 228.702 238.683 1.00 0.00 C +ATOM 10 CA LYS A 10 255.753 227.261 235.789 1.00 0.00 C +ATOM 11 CA ILE A 11 254.992 230.263 233.569 1.00 0.00 C +ATOM 12 CA ALA A 12 256.305 231.075 230.086 1.00 0.00 C +ATOM 13 CA HIS A 13 259.578 232.150 228.457 1.00 0.00 C +ATOM 14 CA ASN A 14 260.938 232.904 224.979 1.00 0.00 C +ATOM 15 CA ASP A 15 259.467 234.747 221.987 1.00 0.00 C +ATOM 16 CA HIS A 16 256.722 237.380 222.214 1.00 0.00 C +ATOM 17 CA SER A 17 256.908 241.149 221.689 1.00 0.00 C +ATOM 18 CA GLN A 18 254.369 242.741 219.336 1.00 0.00 C +ATOM 19 CA LEU A 19 252.361 245.273 221.353 1.00 0.00 C +ATOM 20 CA ASN A 20 250.723 248.296 222.996 1.00 0.00 C +ATOM 21 CA THR A 21 249.263 247.135 226.318 1.00 0.00 C +ATOM 22 CA ASP A 22 249.604 243.449 227.218 1.00 0.00 C +ATOM 23 CA ALA A 23 250.891 242.823 230.749 1.00 0.00 C +ATOM 24 CA SER A 24 250.557 239.881 233.146 1.00 0.00 C +ATOM 25 CA ALA A 25 251.863 241.096 236.513 1.00 0.00 C +ATOM 26 CA GLN A 26 254.562 241.054 239.202 1.00 0.00 C +ATOM 27 CA GLN A 27 254.717 238.897 242.339 1.00 0.00 C +ATOM 28 CA PHE A 28 254.633 235.791 244.543 1.00 0.00 C +ATOM 29 CA SER A 29 254.606 235.959 248.349 1.00 0.00 C +ATOM 30 CA ASP A 30 251.634 238.112 249.371 1.00 0.00 C +ATOM 31 CA ALA A 31 252.361 240.073 252.556 1.00 0.00 C +ATOM 32 CA ASP A 32 251.271 243.413 254.030 1.00 0.00 C +ATOM 33 CA CYS A 33 251.125 246.641 256.049 1.00 0.00 C +ATOM 34 CA GLU A 34 248.242 248.407 257.806 1.00 0.00 C +ATOM 35 CA LYS A 35 248.013 250.208 261.156 1.00 0.00 C +ATOM 36 CA HIS A 36 244.698 251.185 262.758 1.00 0.00 C +ATOM 37 CA GLU A 37 244.361 254.372 264.819 1.00 0.00 C +ATOM 38 CA GLY A 38 243.890 254.531 268.596 1.00 0.00 C +ATOM 39 CA VAL A 39 246.591 256.445 270.482 1.00 0.00 C +ATOM 40 CA GLN A 40 245.769 258.728 273.420 1.00 0.00 C +ATOM 41 CA SER A 41 247.183 262.046 274.647 1.00 0.00 C +ATOM 42 CA SER A 42 245.627 265.474 275.229 1.00 0.00 C +ATOM 43 CA ALA A 43 246.788 268.086 277.748 1.00 0.00 C +ATOM 44 CA GLU A 44 247.051 271.829 278.414 1.00 0.00 C +ATOM 45 CA ALA A 45 247.263 275.319 276.903 1.00 0.00 C +ATOM 46 CA PRO A 46 246.128 277.910 274.350 1.00 0.00 C +ATOM 47 CA LYS A 47 242.323 277.915 274.164 1.00 0.00 C +ATOM 48 CA LEU A 48 238.799 276.692 273.387 1.00 0.00 C +ATOM 49 CA GLU A 49 238.412 272.964 274.072 1.00 0.00 C +ATOM 50 CA ARG A 50 235.548 270.940 272.583 1.00 0.00 C +ATOM 51 CA ARG A 51 234.639 267.599 270.993 1.00 0.00 C +ATOM 52 CA LEU A 52 236.334 265.663 268.183 1.00 0.00 C +ATOM 53 CA LYS A 53 236.503 261.922 267.483 1.00 0.00 C +ATOM 54 CA SER A 54 236.789 259.564 264.504 1.00 0.00 C +ATOM 55 CA ARG A 55 240.398 259.007 263.420 1.00 0.00 C +ATOM 56 CA HIS A 56 240.988 259.762 259.732 1.00 0.00 C +ATOM 57 CA LEU A 57 242.820 256.757 258.274 1.00 0.00 C +ATOM 58 CA GLN A 58 246.040 255.857 256.447 1.00 0.00 C +ATOM 59 CA MET A 59 249.409 256.871 257.908 1.00 0.00 C +ATOM 60 CA ILE A 60 250.527 255.836 261.400 1.00 0.00 C +ATOM 61 CA ALA A 61 251.766 258.763 263.500 1.00 0.00 C +ATOM 62 CA ILE A 62 253.219 258.316 266.994 1.00 0.00 C +TER 63 ILE A 62 +END diff --git a/Fungi/A0A3D8S9Y3/A0A3D8S9Y3.dcd b/Fungi/A0A3D8S9Y3/A0A3D8S9Y3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8c282c675b4642e2c10aacb6f6e1d5237b94fdf1 --- /dev/null +++ b/Fungi/A0A3D8S9Y3/A0A3D8S9Y3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fd93ce0f251c40d34d3add2850cc8533ed179f3054ca82245b3ce54b43519af6 +size 22040276 diff --git a/Fungi/A0A3D8S9Y3/top.pdb b/Fungi/A0A3D8S9Y3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..61b91613aa256805fe02a0c3735416f4b4ba4f31 --- /dev/null +++ b/Fungi/A0A3D8S9Y3/top.pdb @@ -0,0 +1,181 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 226.086 267.275 292.790 1.00 0.00 C +ATOM 2 CA GLY A 2 222.859 266.264 294.546 1.00 0.00 C +ATOM 3 CA HIS A 3 220.301 263.534 295.263 1.00 0.00 C +ATOM 4 CA HIS A 4 219.035 261.318 292.434 1.00 0.00 C +ATOM 5 CA ASP A 5 221.135 258.301 291.429 1.00 0.00 C +ATOM 6 CA HIS A 6 224.868 259.029 291.660 1.00 0.00 C +ATOM 7 CA HIS A 7 228.627 259.375 292.175 1.00 0.00 C +ATOM 8 CA GLY A 8 230.157 256.397 293.993 1.00 0.00 C +ATOM 9 CA HIS A 9 230.564 252.943 295.550 1.00 0.00 C +ATOM 10 CA HIS A 10 227.423 251.316 296.964 1.00 0.00 C +ATOM 11 CA GLU A 11 224.304 252.289 295.005 1.00 0.00 C +ATOM 12 CA GLU A 12 220.967 250.982 293.709 1.00 0.00 C +ATOM 13 CA GLU A 13 217.901 251.906 291.646 1.00 0.00 C +ATOM 14 CA GLU A 14 214.552 250.756 293.052 1.00 0.00 C +ATOM 15 CA ARG A 15 212.573 249.261 290.160 1.00 0.00 C +ATOM 16 CA ARG A 16 209.833 251.398 288.598 1.00 0.00 C +ATOM 17 CA GLU A 17 206.501 251.700 286.775 1.00 0.00 C +ATOM 18 CA GLY A 18 203.381 250.047 288.207 1.00 0.00 C +ATOM 19 CA ILE A 19 201.018 248.576 290.809 1.00 0.00 C +ATOM 20 CA GLY A 20 198.251 245.957 290.749 1.00 0.00 C +ATOM 21 CA GLY A 21 197.771 242.179 290.853 1.00 0.00 C +ATOM 22 CA PHE A 22 197.124 239.064 288.756 1.00 0.00 C +ATOM 23 CA PHE A 23 197.552 236.568 285.910 1.00 0.00 C +ATOM 24 CA GLY A 24 196.632 237.514 282.335 1.00 0.00 C +ATOM 25 CA PHE A 25 196.979 240.957 280.742 1.00 0.00 C +ATOM 26 CA GLY A 26 200.699 241.739 280.491 1.00 0.00 C +ATOM 27 CA GLY A 27 201.724 242.551 276.913 1.00 0.00 C +ATOM 28 CA GLU A 28 204.213 245.267 275.941 1.00 0.00 C +ATOM 29 CA ARG A 29 202.517 248.673 276.152 1.00 0.00 C +ATOM 30 CA ARG A 30 200.019 250.313 273.788 1.00 0.00 C +ATOM 31 CA GLU A 31 200.280 254.044 274.516 1.00 0.00 C +ATOM 32 CA GLU A 32 199.901 257.172 272.375 1.00 0.00 C +ATOM 33 CA GLU A 33 200.375 259.321 269.265 1.00 0.00 C +ATOM 34 CA ARG A 34 202.709 262.117 270.385 1.00 0.00 C +ATOM 35 CA ARG A 35 205.990 260.613 271.606 1.00 0.00 C +ATOM 36 CA GLU A 36 207.876 258.083 273.742 1.00 0.00 C +ATOM 37 CA GLU A 37 211.006 259.532 275.359 1.00 0.00 C +ATOM 38 CA ARG A 38 213.974 258.470 277.500 1.00 0.00 C +ATOM 39 CA ARG A 39 216.202 255.396 277.175 1.00 0.00 C +ATOM 40 CA GLU A 40 216.894 253.657 273.856 1.00 0.00 C +ATOM 41 CA GLU A 41 219.944 253.584 271.575 1.00 0.00 C +ATOM 42 CA ARG A 42 222.852 252.257 273.647 1.00 0.00 C +ATOM 43 CA ARG A 43 223.613 249.364 276.007 1.00 0.00 C +ATOM 44 CA GLU A 44 221.572 247.199 278.387 1.00 0.00 C +ATOM 45 CA GLU A 45 221.865 243.527 277.413 1.00 0.00 C +ATOM 46 CA GLU A 46 221.480 241.225 280.424 1.00 0.00 C +ATOM 47 CA ARG A 47 219.168 238.198 280.340 1.00 0.00 C +ATOM 48 CA GLU A 48 216.097 238.436 282.584 1.00 0.00 C +ATOM 49 CA GLU A 49 213.066 240.343 283.885 1.00 0.00 C +ATOM 50 CA GLU A 50 210.469 241.152 281.218 1.00 0.00 C +ATOM 51 CA ARG A 51 209.713 243.538 278.346 1.00 0.00 C +ATOM 52 CA GLU A 52 211.877 244.124 275.265 1.00 0.00 C +ATOM 53 CA GLU A 53 213.618 247.474 274.751 1.00 0.00 C +ATOM 54 CA ARG A 54 211.192 249.594 272.717 1.00 0.00 C +ATOM 55 CA ARG A 55 210.052 249.279 269.095 1.00 0.00 C +ATOM 56 CA GLU A 56 208.868 246.633 266.624 1.00 0.00 C +ATOM 57 CA ASP A 57 209.233 242.979 265.608 1.00 0.00 C +ATOM 58 CA ARG A 58 211.537 240.022 266.290 1.00 0.00 C +ATOM 59 CA ARG A 59 213.037 239.066 262.921 1.00 0.00 C +ATOM 60 CA GLU A 60 215.404 241.829 261.787 1.00 0.00 C +ATOM 61 CA GLU A 61 217.441 241.234 258.623 1.00 0.00 C +ATOM 62 CA ARG A 62 220.464 242.706 256.830 1.00 0.00 C +ATOM 63 CA ARG A 63 222.747 240.834 254.422 1.00 0.00 C +ATOM 64 CA GLU A 64 223.230 237.277 255.698 1.00 0.00 C +ATOM 65 CA GLU A 65 224.250 234.054 253.940 1.00 0.00 C +ATOM 66 CA ARG A 66 223.741 234.080 250.164 1.00 0.00 C +ATOM 67 CA ARG A 67 224.490 230.706 248.562 1.00 0.00 C +ATOM 68 CA GLU A 68 221.818 229.773 246.011 1.00 0.00 C +ATOM 69 CA GLU A 69 219.432 229.339 243.073 1.00 0.00 C +ATOM 70 CA GLY A 70 219.551 231.996 240.344 1.00 0.00 C +ATOM 71 CA TYR A 71 222.253 234.289 238.945 1.00 0.00 C +ATOM 72 CA GLY A 72 224.474 237.164 237.798 1.00 0.00 C +ATOM 73 CA GLY A 73 222.365 240.297 237.299 1.00 0.00 C +ATOM 74 CA PHE A 74 223.556 242.553 234.469 1.00 0.00 C +ATOM 75 CA GLY A 75 227.073 242.048 233.094 1.00 0.00 C +ATOM 76 CA GLU A 76 229.205 239.147 234.341 1.00 0.00 C +ATOM 77 CA ARG A 77 231.916 236.583 235.112 1.00 0.00 C +ATOM 78 CA ARG A 78 231.630 235.185 238.645 1.00 0.00 C +ATOM 79 CA GLU A 79 229.576 235.248 241.853 1.00 0.00 C +ATOM 80 CA ASN A 80 228.997 238.910 242.732 1.00 0.00 C +ATOM 81 CA TRP A 81 232.487 240.379 243.152 1.00 0.00 C +ATOM 82 CA GLY A 82 235.317 240.348 245.702 1.00 0.00 C +ATOM 83 CA GLU A 83 237.592 238.020 247.683 1.00 0.00 C +ATOM 84 CA GLU A 84 240.636 236.821 245.731 1.00 0.00 C +ATOM 85 CA ARG A 85 242.298 233.941 247.592 1.00 0.00 C +ATOM 86 CA ARG A 86 242.065 233.819 251.393 1.00 0.00 C +ATOM 87 CA GLU A 87 245.302 233.291 253.333 1.00 0.00 C +ATOM 88 CA GLN A 88 247.674 234.015 256.225 1.00 0.00 C +ATOM 89 CA GLY A 89 251.387 233.270 255.802 1.00 0.00 C +ATOM 90 CA PHE A 90 254.673 234.224 254.126 1.00 0.00 C +ATOM 91 CA GLY A 91 256.669 237.330 255.069 1.00 0.00 C +ATOM 92 CA GLU A 92 257.354 240.529 253.116 1.00 0.00 C +ATOM 93 CA PHE A 93 259.650 243.035 251.394 1.00 0.00 C +ATOM 94 CA GLY A 94 262.550 245.219 250.237 1.00 0.00 C +ATOM 95 CA ARG A 95 263.335 248.021 247.777 1.00 0.00 C +ATOM 96 CA GLU A 96 264.910 247.377 244.368 1.00 0.00 C +ATOM 97 CA ARG A 97 266.247 245.693 241.223 1.00 0.00 C +ATOM 98 CA ARG A 98 266.347 243.315 238.249 1.00 0.00 C +ATOM 99 CA GLU A 99 265.735 240.321 235.973 1.00 0.00 C +ATOM 100 CA GLU A 100 267.534 239.792 232.656 1.00 0.00 C +ATOM 101 CA GLU A 101 267.563 242.568 230.047 1.00 0.00 C +ATOM 102 CA ARG A 102 270.642 244.806 229.890 1.00 0.00 C +ATOM 103 CA ARG A 103 274.119 244.521 228.357 1.00 0.00 C +ATOM 104 CA GLU A 104 277.425 245.438 226.701 1.00 0.00 C +ATOM 105 CA GLU A 105 279.293 248.602 225.692 1.00 0.00 C +ATOM 106 CA ARG A 106 278.015 251.373 227.974 1.00 0.00 C +ATOM 107 CA LEU A 107 279.334 254.925 228.381 1.00 0.00 C +ATOM 108 CA GLU A 108 282.491 257.041 228.649 1.00 0.00 C +ATOM 109 CA ASP A 109 281.293 260.604 228.031 1.00 0.00 C +ATOM 110 CA ARG A 110 278.469 260.209 225.504 1.00 0.00 C +ATOM 111 CA ARG A 111 275.154 259.509 223.760 1.00 0.00 C +ATOM 112 CA GLU A 112 272.305 256.989 223.547 1.00 0.00 C +ATOM 113 CA GLU A 113 268.865 257.823 224.957 1.00 0.00 C +ATOM 114 CA ARG A 114 265.696 256.082 226.158 1.00 0.00 C +ATOM 115 CA ARG A 115 262.153 257.409 225.706 1.00 0.00 C +ATOM 116 CA GLU A 116 258.410 257.633 226.383 1.00 0.00 C +ATOM 117 CA GLU A 117 257.021 257.640 229.931 1.00 0.00 C +ATOM 118 CA ARG A 118 258.611 257.694 233.393 1.00 0.00 C +ATOM 119 CA ARG A 119 261.326 260.353 233.664 1.00 0.00 C +ATOM 120 CA GLU A 120 261.922 261.228 237.324 1.00 0.00 C +ATOM 121 CA GLU A 121 263.248 259.715 240.560 1.00 0.00 C +ATOM 122 CA GLY A 122 263.571 255.956 240.027 1.00 0.00 C +ATOM 123 CA TYR A 123 264.095 253.209 242.614 1.00 0.00 C +ATOM 124 CA GLY A 124 266.733 253.024 245.358 1.00 0.00 C +ATOM 125 CA GLY A 125 270.285 254.182 244.613 1.00 0.00 C +ATOM 126 CA TRP A 126 273.594 254.569 246.463 1.00 0.00 C +ATOM 127 CA GLY A 127 275.095 257.994 245.735 1.00 0.00 C +ATOM 128 CA GLU A 128 276.043 261.684 245.802 1.00 0.00 C +ATOM 129 CA ARG A 129 275.445 263.893 242.756 1.00 0.00 C +ATOM 130 CA ARG A 130 273.069 262.258 240.266 1.00 0.00 C +ATOM 131 CA ASN A 131 274.928 260.642 237.359 1.00 0.00 C +ATOM 132 CA SER A 132 273.863 259.155 234.016 1.00 0.00 C +ATOM 133 CA ARG A 133 270.296 258.484 232.859 1.00 0.00 C +ATOM 134 CA GLU A 134 268.157 255.396 233.499 1.00 0.00 C +ATOM 135 CA ARG A 135 267.618 252.886 236.313 1.00 0.00 C +ATOM 136 CA GLU A 136 271.133 251.969 237.464 1.00 0.00 C +ATOM 137 CA GLU A 137 273.290 249.567 235.441 1.00 0.00 C +ATOM 138 CA ARG A 138 274.848 246.697 237.402 1.00 0.00 C +ATOM 139 CA ARG A 139 273.999 243.308 238.923 1.00 0.00 C +ATOM 140 CA GLU A 140 276.837 240.771 238.775 1.00 0.00 C +ATOM 141 CA GLU A 141 277.205 237.011 239.267 1.00 0.00 C +ATOM 142 CA GLY A 142 278.749 234.342 237.028 1.00 0.00 C +ATOM 143 CA PHE A 143 281.124 235.772 234.414 1.00 0.00 C +ATOM 144 CA GLY A 144 283.426 238.720 233.689 1.00 0.00 C +ATOM 145 CA GLY A 145 286.180 239.996 235.992 1.00 0.00 C +ATOM 146 CA TYR A 146 286.227 243.594 237.244 1.00 0.00 C +ATOM 147 CA GLY A 147 285.928 247.273 238.191 1.00 0.00 C +ATOM 148 CA GLY A 148 285.962 250.796 236.740 1.00 0.00 C +ATOM 149 CA GLU A 149 286.611 253.017 233.713 1.00 0.00 C +ATOM 150 CA ARG A 150 288.656 256.109 234.593 1.00 0.00 C +ATOM 151 CA ARG A 151 289.043 259.249 232.471 1.00 0.00 C +ATOM 152 CA GLU A 152 292.527 259.884 231.067 1.00 0.00 C +ATOM 153 CA GLU A 153 294.655 256.833 231.892 1.00 0.00 C +ATOM 154 CA GLY A 154 295.451 254.960 228.672 1.00 0.00 C +ATOM 155 CA TRP A 155 297.338 256.215 225.609 1.00 0.00 C +ATOM 156 CA GLY A 156 298.077 256.325 221.873 1.00 0.00 C +ATOM 157 CA GLU A 157 299.457 254.248 218.993 1.00 0.00 C +ATOM 158 CA ARG A 158 302.207 252.302 217.214 1.00 0.00 C +ATOM 159 CA ARG A 159 302.343 252.992 213.469 1.00 0.00 C +ATOM 160 CA ASN A 160 305.124 253.724 210.969 1.00 0.00 C +ATOM 161 CA SER A 161 307.592 256.379 209.797 1.00 0.00 C +ATOM 162 CA ARG A 162 310.142 258.828 211.217 1.00 0.00 C +ATOM 163 CA GLU A 163 309.463 261.651 213.684 1.00 0.00 C +ATOM 164 CA ARG A 164 311.628 263.099 216.464 1.00 0.00 C +ATOM 165 CA GLU A 165 312.726 266.682 217.155 1.00 0.00 C +ATOM 166 CA GLU A 166 311.434 270.174 217.960 1.00 0.00 C +ATOM 167 CA ARG A 167 307.696 270.790 218.372 1.00 0.00 C +ATOM 168 CA ARG A 168 305.757 272.992 215.941 1.00 0.00 C +ATOM 169 CA GLU A 169 304.735 272.116 212.377 1.00 0.00 C +ATOM 170 CA GLU A 170 306.307 273.902 209.402 1.00 0.00 C +ATOM 171 CA GLY A 171 309.739 273.487 207.800 1.00 0.00 C +ATOM 172 CA PHE A 172 313.187 271.881 208.031 1.00 0.00 C +ATOM 173 CA GLY A 173 316.696 272.187 209.483 1.00 0.00 C +ATOM 174 CA TRP A 174 320.279 271.118 208.751 1.00 0.00 C +ATOM 175 CA GLU A 175 322.519 268.170 207.851 1.00 0.00 C +ATOM 176 CA ARG A 176 323.623 266.317 204.710 1.00 0.00 C +ATOM 177 CA ARG A 177 320.528 265.197 202.792 1.00 0.00 C +TER 178 ARG A 177 +END diff --git a/Fungi/A0A3M2S551/A0A3M2S551.dcd b/Fungi/A0A3M2S551/A0A3M2S551.dcd new file mode 100644 index 0000000000000000000000000000000000000000..34f162cb7fc8c288ca637b4e1ed1361eb8f143bb --- /dev/null +++ b/Fungi/A0A3M2S551/A0A3M2S551.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e8ebe6499631057cc9d38dbd20d464bac5d9a5ab8c92b2377cb978297ae7998f +size 16760276 diff --git a/Fungi/A0A3M2S551/top.pdb b/Fungi/A0A3M2S551/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..84dcc8c40c4c217707044fc1b5708134e64283a9 --- /dev/null +++ b/Fungi/A0A3M2S551/top.pdb @@ -0,0 +1,137 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 251.278 275.819 235.372 1.00 0.00 C +ATOM 2 CA SER A 2 251.236 275.907 231.564 1.00 0.00 C +ATOM 3 CA TRP A 3 251.459 272.870 229.275 1.00 0.00 C +ATOM 4 CA GLN A 4 249.052 272.605 226.334 1.00 0.00 C +ATOM 5 CA LYS A 5 247.701 270.519 223.445 1.00 0.00 C +ATOM 6 CA ASP A 6 247.489 272.984 220.548 1.00 0.00 C +ATOM 7 CA ILE A 7 250.571 272.356 218.398 1.00 0.00 C +ATOM 8 CA ARG A 8 252.394 272.187 215.057 1.00 0.00 C +ATOM 9 CA PRO A 9 251.004 269.536 212.699 1.00 0.00 C +ATOM 10 CA THR A 10 247.361 268.765 211.891 1.00 0.00 C +ATOM 11 CA ARG A 11 243.776 267.574 212.385 1.00 0.00 C +ATOM 12 CA GLU A 12 240.787 267.486 214.746 1.00 0.00 C +ATOM 13 CA ASN A 13 237.091 267.879 215.583 1.00 0.00 C +ATOM 14 CA SER A 14 235.398 264.581 216.461 1.00 0.00 C +ATOM 15 CA ASN A 15 233.464 261.477 217.529 1.00 0.00 C +ATOM 16 CA LEU A 16 231.896 262.293 220.904 1.00 0.00 C +ATOM 17 CA PRO A 17 234.223 261.028 223.643 1.00 0.00 C +ATOM 18 CA LEU A 18 235.186 258.700 226.500 1.00 0.00 C +ATOM 19 CA TYR A 19 238.979 258.679 226.867 1.00 0.00 C +ATOM 20 CA ASP A 20 240.833 262.002 227.070 1.00 0.00 C +ATOM 21 CA ASP A 21 243.363 262.908 229.771 1.00 0.00 C +ATOM 22 CA ALA A 22 246.730 261.358 230.653 1.00 0.00 C +ATOM 23 CA PRO A 23 246.650 260.985 234.444 1.00 0.00 C +ATOM 24 CA GLU A 24 244.028 259.843 236.962 1.00 0.00 C +ATOM 25 CA ALA A 25 243.358 256.093 237.036 1.00 0.00 C +ATOM 26 CA ALA A 26 243.968 252.481 235.989 1.00 0.00 C +ATOM 27 CA VAL A 27 245.917 250.377 233.480 1.00 0.00 C +ATOM 28 CA GLU A 28 243.407 247.884 232.065 1.00 0.00 C +ATOM 29 CA PRO A 29 242.204 246.272 228.829 1.00 0.00 C +ATOM 30 CA GLU A 30 242.270 243.187 226.594 1.00 0.00 C +ATOM 31 CA PRO A 31 244.421 242.573 223.510 1.00 0.00 C +ATOM 32 CA LEU A 32 248.166 242.893 224.131 1.00 0.00 C +ATOM 33 CA SER A 33 249.558 246.109 222.636 1.00 0.00 C +ATOM 34 CA ARG A 34 250.435 249.069 224.869 1.00 0.00 C +ATOM 35 CA ARG A 35 252.002 249.981 228.220 1.00 0.00 C +ATOM 36 CA ASP A 36 254.412 252.919 227.934 1.00 0.00 C +ATOM 37 CA GLN A 37 254.528 256.720 228.167 1.00 0.00 C +ATOM 38 CA ARG A 38 253.945 260.264 229.437 1.00 0.00 C +ATOM 39 CA ARG A 39 253.215 261.870 232.814 1.00 0.00 C +ATOM 40 CA LEU A 40 254.538 264.816 234.836 1.00 0.00 C +ATOM 41 CA ARG A 41 256.951 264.879 237.784 1.00 0.00 C +ATOM 42 CA ARG A 42 258.890 262.798 240.318 1.00 0.00 C +ATOM 43 CA ARG A 43 259.635 259.692 242.395 1.00 0.00 C +ATOM 44 CA THR A 44 260.482 258.698 245.975 1.00 0.00 C +ATOM 45 CA ALA A 45 262.189 260.288 248.987 1.00 0.00 C +ATOM 46 CA ARG A 46 264.765 263.086 249.208 1.00 0.00 C +ATOM 47 CA ASN A 47 266.929 266.194 248.791 1.00 0.00 C +ATOM 48 CA SER A 48 268.675 266.959 252.089 1.00 0.00 C +ATOM 49 CA SER A 49 268.646 263.861 254.307 1.00 0.00 C +ATOM 50 CA ASP A 50 270.564 263.352 257.560 1.00 0.00 C +ATOM 51 CA VAL A 51 272.170 265.824 259.973 1.00 0.00 C +ATOM 52 CA ALA A 52 271.280 265.313 263.643 1.00 0.00 C +ATOM 53 CA GLN A 53 270.315 261.708 264.413 1.00 0.00 C +ATOM 54 CA ASN A 54 266.909 260.001 264.473 1.00 0.00 C +ATOM 55 CA ALA A 55 265.922 256.391 263.761 1.00 0.00 C +ATOM 56 CA THR A 56 266.063 255.061 260.193 1.00 0.00 C +ATOM 57 CA ALA A 57 267.603 256.909 257.239 1.00 0.00 C +ATOM 58 CA ASP A 58 268.889 256.773 253.655 1.00 0.00 C +ATOM 59 CA ASP A 59 268.569 255.123 250.236 1.00 0.00 C +ATOM 60 CA GLY A 60 264.877 254.429 249.606 1.00 0.00 C +ATOM 61 CA LEU A 61 264.683 252.158 246.552 1.00 0.00 C +ATOM 62 CA GLU A 62 261.643 250.942 244.605 1.00 0.00 C +ATOM 63 CA ASP A 63 260.195 247.825 242.960 1.00 0.00 C +ATOM 64 CA GLU A 64 256.452 247.340 242.442 1.00 0.00 C +ATOM 65 CA THR A 65 254.629 247.123 239.103 1.00 0.00 C +ATOM 66 CA LYS A 66 252.237 247.683 236.191 1.00 0.00 C +ATOM 67 CA VAL A 67 251.733 251.362 235.336 1.00 0.00 C +ATOM 68 CA ARG A 68 250.096 254.655 236.331 1.00 0.00 C +ATOM 69 CA LYS A 69 249.477 255.151 240.057 1.00 0.00 C +ATOM 70 CA PRO A 70 250.461 257.499 242.892 1.00 0.00 C +ATOM 71 CA THR A 71 247.708 259.542 244.554 1.00 0.00 C +ATOM 72 CA LYS A 72 244.039 260.229 245.318 1.00 0.00 C +ATOM 73 CA LYS A 73 241.044 258.944 247.292 1.00 0.00 C +ATOM 74 CA GLY A 74 239.729 260.749 250.379 1.00 0.00 C +ATOM 75 CA ARG A 75 241.978 260.025 253.368 1.00 0.00 C +ATOM 76 CA GLY A 76 243.183 256.867 255.127 1.00 0.00 C +ATOM 77 CA SER A 77 241.230 254.668 257.549 1.00 0.00 C +ATOM 78 CA ALA A 78 239.729 256.597 260.471 1.00 0.00 C +ATOM 79 CA ASN A 79 237.275 259.503 260.257 1.00 0.00 C +ATOM 80 CA LYS A 80 234.586 260.770 262.641 1.00 0.00 C +ATOM 81 CA LYS A 81 233.145 263.942 261.101 1.00 0.00 C +ATOM 82 CA GLN A 82 233.541 266.916 263.450 1.00 0.00 C +ATOM 83 CA GLU A 83 236.581 266.935 265.746 1.00 0.00 C +ATOM 84 CA ASN A 84 237.539 265.820 269.261 1.00 0.00 C +ATOM 85 CA ASP A 85 239.269 262.430 269.075 1.00 0.00 C +ATOM 86 CA GLY A 86 241.695 261.383 266.331 1.00 0.00 C +ATOM 87 CA GLN A 87 245.282 260.236 265.749 1.00 0.00 C +ATOM 88 CA ASP A 88 247.642 258.515 268.196 1.00 0.00 C +ATOM 89 CA ASP A 89 250.954 259.262 269.925 1.00 0.00 C +ATOM 90 CA ALA A 90 253.636 258.317 272.460 1.00 0.00 C +ATOM 91 CA ASN A 91 256.130 255.821 271.023 1.00 0.00 C +ATOM 92 CA THR A 92 257.206 252.540 269.412 1.00 0.00 C +ATOM 93 CA SER A 93 256.403 249.118 270.881 1.00 0.00 C +ATOM 94 CA THR A 94 253.117 247.323 270.176 1.00 0.00 C +ATOM 95 CA LYS A 95 251.435 245.395 267.353 1.00 0.00 C +ATOM 96 CA THR A 96 252.369 243.792 264.026 1.00 0.00 C +ATOM 97 CA ILE A 97 251.005 245.968 261.211 1.00 0.00 C +ATOM 98 CA GLY A 98 247.859 244.933 259.328 1.00 0.00 C +ATOM 99 CA GLU A 99 247.035 243.002 256.149 1.00 0.00 C +ATOM 100 CA SER A 100 249.196 240.597 254.133 1.00 0.00 C +ATOM 101 CA SER A 101 246.759 237.947 252.887 1.00 0.00 C +ATOM 102 CA LYS A 102 246.431 234.181 252.409 1.00 0.00 C +ATOM 103 CA ASP A 103 247.287 230.695 251.132 1.00 0.00 C +ATOM 104 CA PRO A 104 244.582 228.469 252.629 1.00 0.00 C +ATOM 105 CA SER A 105 241.649 226.470 251.245 1.00 0.00 C +ATOM 106 CA ASP A 106 240.330 224.401 254.161 1.00 0.00 C +ATOM 107 CA ALA A 107 240.784 223.849 257.903 1.00 0.00 C +ATOM 108 CA PRO A 108 243.829 222.742 259.907 1.00 0.00 C +ATOM 109 CA VAL A 109 247.191 223.577 261.494 1.00 0.00 C +ATOM 110 CA ALA A 110 250.833 224.383 260.717 1.00 0.00 C +ATOM 111 CA SER A 111 253.437 225.130 263.395 1.00 0.00 C +ATOM 112 CA SER A 112 251.655 225.695 266.715 1.00 0.00 C +ATOM 113 CA SER A 113 254.369 225.497 269.381 1.00 0.00 C +ATOM 114 CA ASP A 114 254.977 222.880 272.083 1.00 0.00 C +ATOM 115 CA PRO A 115 253.670 219.392 272.884 1.00 0.00 C +ATOM 116 CA GLU A 116 254.086 217.152 275.938 1.00 0.00 C +ATOM 117 CA THR A 117 254.891 219.057 279.138 1.00 0.00 C +ATOM 118 CA SER A 118 253.383 217.524 282.283 1.00 0.00 C +ATOM 119 CA SER A 119 249.648 218.202 281.959 1.00 0.00 C +ATOM 120 CA PRO A 120 246.655 217.954 284.303 1.00 0.00 C +ATOM 121 CA GLN A 121 245.682 214.272 284.409 1.00 0.00 C +ATOM 122 CA ASN A 122 245.495 212.250 281.185 1.00 0.00 C +ATOM 123 CA GLU A 123 245.139 212.957 277.458 1.00 0.00 C +ATOM 124 CA ASP A 124 245.582 216.611 276.476 1.00 0.00 C +ATOM 125 CA TYR A 125 246.140 220.376 276.304 1.00 0.00 C +ATOM 126 CA SER A 126 248.410 223.418 276.632 1.00 0.00 C +ATOM 127 CA ASP A 127 251.388 225.509 277.761 1.00 0.00 C +ATOM 128 CA GLU A 128 252.963 227.744 275.108 1.00 0.00 C +ATOM 129 CA MET A 129 250.382 230.252 273.860 1.00 0.00 C +ATOM 130 CA GLY A 130 247.043 231.921 274.626 1.00 0.00 C +ATOM 131 CA LYS A 131 246.636 235.583 275.597 1.00 0.00 C +ATOM 132 CA GLY A 132 247.794 238.811 273.937 1.00 0.00 C +ATOM 133 CA GLU A 133 249.137 242.036 272.417 1.00 0.00 C +TER 134 GLU A 133 +END diff --git a/Fungi/A0A3M6X306/A0A3M6X306.dcd b/Fungi/A0A3M6X306/A0A3M6X306.dcd new file mode 100644 index 0000000000000000000000000000000000000000..51d97e7d2826aa627a80e6fcce187e0ac2ad1940 --- /dev/null +++ b/Fungi/A0A3M6X306/A0A3M6X306.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:68a876cbefe48192518b63dfca723bf764a55cc16e0d35fb7e481e08f5756378 +size 38280276 diff --git a/Fungi/A0A3M6X306/top.pdb b/Fungi/A0A3M6X306/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..bd40137c41ddd0c1b5ce29c01e010c45177a41be --- /dev/null +++ b/Fungi/A0A3M6X306/top.pdb @@ -0,0 +1,210 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 312.272 234.098 200.743 1.00 0.00 C +ATOM 2 CA ASP A 2 311.850 230.422 199.838 1.00 0.00 C +ATOM 3 CA ARG A 3 310.023 227.166 199.076 1.00 0.00 C +ATOM 4 CA GLN A 4 306.306 227.518 199.833 1.00 0.00 C +ATOM 5 CA GLN A 5 303.563 230.035 199.020 1.00 0.00 C +ATOM 6 CA LYS A 6 301.291 229.431 196.021 1.00 0.00 C +ATOM 7 CA HIS A 7 297.752 229.808 197.382 1.00 0.00 C +ATOM 8 CA PRO A 8 296.337 227.489 200.053 1.00 0.00 C +ATOM 9 CA GLU A 9 296.968 226.213 203.587 1.00 0.00 C +ATOM 10 CA PRO A 10 296.005 227.008 207.186 1.00 0.00 C +ATOM 11 CA SER A 11 296.856 226.779 210.893 1.00 0.00 C +ATOM 12 CA GLY A 12 298.402 224.998 213.885 1.00 0.00 C +ATOM 13 CA SER A 13 300.595 223.451 216.589 1.00 0.00 C +ATOM 14 CA GLN A 14 302.811 223.678 219.681 1.00 0.00 C +ATOM 15 CA THR A 15 305.100 223.949 222.714 1.00 0.00 C +ATOM 16 CA PRO A 16 307.994 226.122 223.905 1.00 0.00 C +ATOM 17 CA GLY A 17 307.873 229.301 226.000 1.00 0.00 C +ATOM 18 CA TRP A 18 310.167 232.073 227.253 1.00 0.00 C +ATOM 19 CA ARG A 19 311.408 235.373 225.809 1.00 0.00 C +ATOM 20 CA LYS A 20 310.085 238.733 227.026 1.00 0.00 C +ATOM 21 CA THR A 21 311.378 242.015 228.464 1.00 0.00 C +ATOM 22 CA HIS A 22 311.042 244.266 231.520 1.00 0.00 C +ATOM 23 CA SER A 23 313.979 246.048 233.169 1.00 0.00 C +ATOM 24 CA PRO A 24 316.094 243.450 234.983 1.00 0.00 C +ATOM 25 CA HIS A 25 318.144 241.112 237.185 1.00 0.00 C +ATOM 26 CA SER A 26 319.176 242.092 240.720 1.00 0.00 C +ATOM 27 CA THR A 27 316.058 243.644 242.264 1.00 0.00 C +ATOM 28 CA THR A 28 312.723 245.484 242.319 1.00 0.00 C +ATOM 29 CA PRO A 29 309.491 243.604 243.051 1.00 0.00 C +ATOM 30 CA HIS A 30 306.633 245.162 241.071 1.00 0.00 C +ATOM 31 CA ASN A 31 307.764 248.747 240.452 1.00 0.00 C +ATOM 32 CA THR A 32 310.059 249.408 237.484 1.00 0.00 C +ATOM 33 CA GLU A 33 309.352 251.043 234.116 1.00 0.00 C +ATOM 34 CA ALA A 34 309.755 254.622 232.874 1.00 0.00 C +ATOM 35 CA ASN A 35 307.615 257.736 233.366 1.00 0.00 C +ATOM 36 CA ASN A 36 305.700 257.030 236.583 1.00 0.00 C +ATOM 37 CA ALA A 37 304.199 253.816 237.974 1.00 0.00 C +ATOM 38 CA THR A 38 301.768 252.295 235.466 1.00 0.00 C +ATOM 39 CA LEU A 39 299.672 249.176 234.840 1.00 0.00 C +ATOM 40 CA ARG A 40 299.216 248.467 231.124 1.00 0.00 C +ATOM 41 CA GLN A 41 302.287 249.192 228.988 1.00 0.00 C +ATOM 42 CA SER A 42 305.895 247.969 228.988 1.00 0.00 C +ATOM 43 CA ASN A 43 308.481 248.675 226.281 1.00 0.00 C +ATOM 44 CA GLU A 44 308.654 252.463 225.907 1.00 0.00 C +ATOM 45 CA ARG A 45 305.978 254.779 227.317 1.00 0.00 C +ATOM 46 CA THR A 46 305.922 258.584 227.501 1.00 0.00 C +ATOM 47 CA HIS A 47 307.614 261.971 227.072 1.00 0.00 C +ATOM 48 CA THR A 48 309.335 263.326 223.955 1.00 0.00 C +ATOM 49 CA SER A 49 309.207 262.107 220.347 1.00 0.00 C +ATOM 50 CA GLN A 50 307.739 264.537 217.807 1.00 0.00 C +ATOM 51 CA PRO A 51 304.798 266.571 216.492 1.00 0.00 C +ATOM 52 CA THR A 52 301.768 265.049 214.755 1.00 0.00 C +ATOM 53 CA GLN A 53 298.608 263.780 213.045 1.00 0.00 C +ATOM 54 CA SER A 54 299.351 261.522 210.067 1.00 0.00 C +ATOM 55 CA GLY A 55 298.623 257.981 208.865 1.00 0.00 C +ATOM 56 CA ARG A 56 300.051 255.162 210.993 1.00 0.00 C +ATOM 57 CA GLY A 57 300.780 252.880 213.956 1.00 0.00 C +ATOM 58 CA ALA A 58 297.908 250.512 214.770 1.00 0.00 C +ATOM 59 CA ALA A 59 294.282 251.668 214.601 1.00 0.00 C +ATOM 60 CA ASN A 60 290.676 251.849 215.819 1.00 0.00 C +ATOM 61 CA THR A 61 289.533 248.625 217.496 1.00 0.00 C +ATOM 62 CA ALA A 62 286.201 246.835 217.954 1.00 0.00 C +ATOM 63 CA HIS A 63 283.240 244.472 218.357 1.00 0.00 C +ATOM 64 CA PRO A 64 282.013 243.490 221.828 1.00 0.00 C +ATOM 65 CA PHE A 65 280.534 246.564 223.524 1.00 0.00 C +ATOM 66 CA ALA A 66 278.493 249.562 224.693 1.00 0.00 C +ATOM 67 CA PHE A 67 277.138 253.108 224.367 1.00 0.00 C +ATOM 68 CA ILE A 68 278.277 256.738 224.162 1.00 0.00 C +ATOM 69 CA MET A 69 280.734 257.546 221.365 1.00 0.00 C +ATOM 70 CA TYR A 70 280.851 259.162 217.917 1.00 0.00 C +ATOM 71 CA GLY A 71 280.403 259.888 214.204 1.00 0.00 C +ATOM 72 CA ALA A 72 281.601 263.260 212.895 1.00 0.00 C +ATOM 73 CA PRO A 73 280.143 264.455 209.584 1.00 0.00 C +ATOM 74 CA SER A 74 278.735 267.918 208.845 1.00 0.00 C +ATOM 75 CA ASP A 75 277.962 269.800 205.624 1.00 0.00 C +ATOM 76 CA SER A 76 274.579 270.282 203.939 1.00 0.00 C +ATOM 77 CA THR A 77 272.120 267.382 204.183 1.00 0.00 C +ATOM 78 CA THR A 78 269.083 266.028 206.043 1.00 0.00 C +ATOM 79 CA GLN A 79 266.479 265.311 203.356 1.00 0.00 C +ATOM 80 CA ALA A 80 265.517 261.625 203.412 1.00 0.00 C +ATOM 81 CA ARG A 81 263.458 258.978 205.221 1.00 0.00 C +ATOM 82 CA LYS A 82 262.362 259.203 208.863 1.00 0.00 C +ATOM 83 CA ARG A 83 260.665 257.298 211.693 1.00 0.00 C +ATOM 84 CA GLU A 84 262.132 257.920 215.153 1.00 0.00 C +ATOM 85 CA VAL A 85 260.768 257.605 218.697 1.00 0.00 C +ATOM 86 CA ARG A 86 257.072 257.026 219.414 1.00 0.00 C +ATOM 87 CA SER A 87 255.237 260.112 220.690 1.00 0.00 C +ATOM 88 CA GLU A 88 251.509 259.631 220.068 1.00 0.00 C +ATOM 89 CA ALA A 89 249.129 260.665 222.857 1.00 0.00 C +ATOM 90 CA ALA A 90 246.535 258.482 224.596 1.00 0.00 C +ATOM 91 CA LYS A 91 248.086 255.838 226.858 1.00 0.00 C +ATOM 92 CA ARG A 92 249.839 257.072 230.008 1.00 0.00 C +ATOM 93 CA SER A 93 251.072 260.676 229.913 1.00 0.00 C +ATOM 94 CA ALA A 94 252.982 263.967 229.717 1.00 0.00 C +ATOM 95 CA GLU A 95 254.639 266.319 232.214 1.00 0.00 C +ATOM 96 CA ARG A 96 252.067 268.073 234.410 1.00 0.00 C +ATOM 97 CA ARG A 97 253.477 269.033 237.817 1.00 0.00 C +ATOM 98 CA ARG A 98 254.454 272.031 239.955 1.00 0.00 C +ATOM 99 CA ASN A 99 254.423 275.278 237.963 1.00 0.00 C +ATOM 100 CA THR A 100 252.852 274.814 234.523 1.00 0.00 C +ATOM 101 CA MET A 101 253.412 273.192 231.121 1.00 0.00 C +ATOM 102 CA GLU A 102 256.504 273.696 228.954 1.00 0.00 C +ATOM 103 CA GLN A 103 255.842 274.927 225.410 1.00 0.00 C +ATOM 104 CA ARG A 104 253.261 277.143 223.694 1.00 0.00 C +ATOM 105 CA ARG A 105 252.849 280.901 224.169 1.00 0.00 C +ATOM 106 CA SER A 106 252.606 282.020 227.803 1.00 0.00 C +ATOM 107 CA GLU A 107 249.544 283.004 229.845 1.00 0.00 C +ATOM 108 CA GLN A 108 247.469 283.037 233.041 1.00 0.00 C +ATOM 109 CA ARG A 109 247.302 280.775 236.102 1.00 0.00 C +ATOM 110 CA GLY A 110 244.112 279.827 237.957 1.00 0.00 C +ATOM 111 CA ARG A 111 244.636 280.354 241.694 1.00 0.00 C +ATOM 112 CA ARG A 112 244.905 281.956 245.140 1.00 0.00 C +ATOM 113 CA ASP A 113 242.606 283.925 247.453 1.00 0.00 C +ATOM 114 CA THR A 114 238.848 284.500 247.201 1.00 0.00 C +ATOM 115 CA SER A 115 236.933 284.088 250.470 1.00 0.00 C +ATOM 116 CA VAL A 116 235.931 284.297 254.139 1.00 0.00 C +ATOM 117 CA ARG A 117 232.501 284.177 255.793 1.00 0.00 C +ATOM 118 CA ARG A 118 228.836 284.187 256.836 1.00 0.00 C +ATOM 119 CA LYS A 119 225.623 286.094 256.088 1.00 0.00 C +ATOM 120 CA LYS A 120 222.766 283.577 256.198 1.00 0.00 C +ATOM 121 CA ALA A 121 221.665 282.669 259.731 1.00 0.00 C +ATOM 122 CA GLU A 122 219.193 279.789 259.395 1.00 0.00 C +ATOM 123 CA ALA A 123 220.106 276.709 261.444 1.00 0.00 C +ATOM 124 CA SER A 124 220.574 273.538 263.504 1.00 0.00 C +ATOM 125 CA ARG A 125 223.662 271.747 264.834 1.00 0.00 C +ATOM 126 CA GLN A 126 225.533 269.112 262.817 1.00 0.00 C +ATOM 127 CA ALA A 127 229.332 269.094 263.107 1.00 0.00 C +ATOM 128 CA SER A 128 231.351 267.574 260.255 1.00 0.00 C +ATOM 129 CA SER A 129 229.303 264.881 258.505 1.00 0.00 C +ATOM 130 CA PRO A 130 227.373 263.227 255.666 1.00 0.00 C +ATOM 131 CA ALA A 131 226.554 259.517 255.380 1.00 0.00 C +ATOM 132 CA GLN A 132 223.644 258.872 257.752 1.00 0.00 C +ATOM 133 CA PRO A 133 222.538 260.281 261.115 1.00 0.00 C +ATOM 134 CA HIS A 134 222.958 260.209 264.901 1.00 0.00 C +ATOM 135 CA ALA A 135 221.065 257.919 267.286 1.00 0.00 C +ATOM 136 CA ALA A 136 223.076 257.908 270.523 1.00 0.00 C +ATOM 137 CA SER A 137 224.708 261.341 270.784 1.00 0.00 C +ATOM 138 CA THR A 138 226.917 263.996 272.393 1.00 0.00 C +ATOM 139 CA PRO A 139 230.454 263.627 271.025 1.00 0.00 C +ATOM 140 CA SER A 140 232.261 262.699 267.802 1.00 0.00 C +ATOM 141 CA VAL A 141 235.624 261.929 266.184 1.00 0.00 C +ATOM 142 CA SER A 142 234.853 259.454 263.392 1.00 0.00 C +ATOM 143 CA ARG A 143 233.956 256.046 261.944 1.00 0.00 C +ATOM 144 CA GLU A 144 234.084 253.328 264.611 1.00 0.00 C +ATOM 145 CA SER A 145 234.865 252.739 268.294 1.00 0.00 C +ATOM 146 CA SER A 146 232.660 253.854 271.194 1.00 0.00 C +ATOM 147 CA GLN A 147 229.788 251.787 272.606 1.00 0.00 C +ATOM 148 CA ASN A 148 228.139 249.671 269.901 1.00 0.00 C +ATOM 149 CA ASP A 149 224.382 250.300 269.941 1.00 0.00 C +ATOM 150 CA THR A 150 223.439 252.083 273.173 1.00 0.00 C +ATOM 151 CA GLY A 151 220.993 250.628 275.705 1.00 0.00 C +ATOM 152 CA GLU A 152 221.338 248.716 278.982 1.00 0.00 C +ATOM 153 CA SER A 153 217.864 248.817 280.543 1.00 0.00 C +ATOM 154 CA ALA A 154 215.721 246.170 282.250 1.00 0.00 C +ATOM 155 CA ARG A 155 212.404 246.715 284.043 1.00 0.00 C +ATOM 156 CA PRO A 156 208.733 245.813 283.567 1.00 0.00 C +ATOM 157 CA THR A 157 207.643 243.161 281.059 1.00 0.00 C +ATOM 158 CA SER A 158 204.860 240.558 281.027 1.00 0.00 C +ATOM 159 CA GLN A 159 203.126 239.094 284.088 1.00 0.00 C +ATOM 160 CA SER A 160 200.543 237.038 285.988 1.00 0.00 C +ATOM 161 CA SER A 161 201.017 233.411 284.922 1.00 0.00 C +ATOM 162 CA HIS A 162 203.049 230.649 283.261 1.00 0.00 C +ATOM 163 CA GLN A 163 202.065 226.995 282.817 1.00 0.00 C +ATOM 164 CA GLN A 164 201.669 223.226 282.425 1.00 0.00 C +ATOM 165 CA THR A 165 201.894 220.714 285.281 1.00 0.00 C +ATOM 166 CA ALA A 166 200.908 218.444 288.177 1.00 0.00 C +ATOM 167 CA ALA A 167 199.446 215.072 287.171 1.00 0.00 C +ATOM 168 CA PRO A 168 197.318 215.134 284.011 1.00 0.00 C +ATOM 169 CA GLN A 169 195.235 216.772 281.274 1.00 0.00 C +ATOM 170 CA ARG A 170 193.661 219.375 278.980 1.00 0.00 C +ATOM 171 CA GLU A 171 194.444 222.760 280.543 1.00 0.00 C +ATOM 172 CA VAL A 172 195.486 222.395 284.189 1.00 0.00 C +ATOM 173 CA SER A 173 196.625 225.073 286.648 1.00 0.00 C +ATOM 174 CA VAL A 174 194.843 226.204 289.820 1.00 0.00 C +ATOM 175 CA GLN A 175 193.834 223.473 292.277 1.00 0.00 C +ATOM 176 CA ALA A 176 196.178 220.483 291.987 1.00 0.00 C +ATOM 177 CA SER A 177 196.780 217.008 293.428 1.00 0.00 C +ATOM 178 CA GLY A 178 199.343 215.435 295.768 1.00 0.00 C +ATOM 179 CA ARG A 179 198.543 216.753 299.252 1.00 0.00 C +ATOM 180 CA PHE A 180 198.492 220.418 300.293 1.00 0.00 C +ATOM 181 CA ARG A 181 196.669 221.338 303.510 1.00 0.00 C +ATOM 182 CA GLN A 182 193.325 223.049 304.142 1.00 0.00 C +ATOM 183 CA TYR A 183 189.676 223.960 303.535 1.00 0.00 C +ATOM 184 CA GLU A 184 186.837 224.303 306.053 1.00 0.00 C +ATOM 185 CA GLU A 185 184.309 221.464 305.793 1.00 0.00 C +ATOM 186 CA ALA A 186 183.429 218.680 303.346 1.00 0.00 C +ATOM 187 CA THR A 187 182.858 215.573 305.477 1.00 0.00 C +ATOM 188 CA PRO A 188 180.216 213.791 307.565 1.00 0.00 C +ATOM 189 CA GLU A 189 177.960 216.072 309.620 1.00 0.00 C +ATOM 190 CA ALA A 190 177.144 218.221 312.658 1.00 0.00 C +ATOM 191 CA PRO A 191 179.526 221.164 313.084 1.00 0.00 C +ATOM 192 CA LYS A 192 178.698 224.848 313.595 1.00 0.00 C +ATOM 193 CA LEU A 193 178.570 228.086 311.592 1.00 0.00 C +ATOM 194 CA PRO A 194 175.737 230.433 312.582 1.00 0.00 C +ATOM 195 CA SER A 195 173.954 232.458 309.892 1.00 0.00 C +ATOM 196 CA LEU A 196 174.421 236.211 310.356 1.00 0.00 C +ATOM 197 CA ALA A 197 177.218 238.651 309.496 1.00 0.00 C +ATOM 198 CA GLU A 198 176.738 242.135 308.030 1.00 0.00 C +ATOM 199 CA ILE A 199 177.752 244.952 310.387 1.00 0.00 C +ATOM 200 CA LEU A 200 180.716 244.461 312.730 1.00 0.00 C +ATOM 201 CA ARG A 201 184.112 244.155 314.429 1.00 0.00 C +ATOM 202 CA PRO A 202 186.021 247.407 313.881 1.00 0.00 C +ATOM 203 CA SER A 203 186.966 250.931 314.976 1.00 0.00 C +ATOM 204 CA ARG A 204 189.601 253.665 314.663 1.00 0.00 C +ATOM 205 CA PRO A 205 191.925 253.421 311.654 1.00 0.00 C +ATOM 206 CA PRO A 206 193.201 256.979 311.183 1.00 0.00 C +TER 207 PRO A 206 +END diff --git a/Fungi/A0A3M6Y748/A0A3M6Y748.dcd b/Fungi/A0A3M6Y748/A0A3M6Y748.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e3f16c012a48e583a62a75480c6a9fc6f703893e --- /dev/null +++ b/Fungi/A0A3M6Y748/A0A3M6Y748.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:56b1d3015b71ad32499a79b8e7bc7944a288b1912d9524276de428b36b5d5c85 +size 47100276 diff --git a/Fungi/A0A3M6Y748/top.pdb b/Fungi/A0A3M6Y748/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f4880802d9598788e96df012d770d7d2b92f77bc --- /dev/null +++ b/Fungi/A0A3M6Y748/top.pdb @@ -0,0 +1,259 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 246.920 271.504 252.029 1.00 0.00 C +ATOM 2 CA SER A 2 247.964 270.872 255.639 1.00 0.00 C +ATOM 3 CA ASN A 3 248.113 271.797 259.332 1.00 0.00 C +ATOM 4 CA LYS A 4 250.096 271.496 262.571 1.00 0.00 C +ATOM 5 CA ILE A 5 249.291 274.379 264.928 1.00 0.00 C +ATOM 6 CA PRO A 6 251.901 277.106 264.409 1.00 0.00 C +ATOM 7 CA ASP A 7 255.628 276.701 265.086 1.00 0.00 C +ATOM 8 CA ALA A 8 256.719 273.124 264.358 1.00 0.00 C +ATOM 9 CA TRP A 9 259.575 271.747 266.471 1.00 0.00 C +ATOM 10 CA ASP A 10 260.045 268.102 267.474 1.00 0.00 C +ATOM 11 CA ASP A 11 261.581 265.748 264.901 1.00 0.00 C +ATOM 12 CA ASP A 12 265.376 265.980 265.145 1.00 0.00 C +ATOM 13 CA TRP A 13 266.539 267.252 261.747 1.00 0.00 C +ATOM 14 CA VAL A 14 264.545 269.637 259.545 1.00 0.00 C +ATOM 15 CA ASN A 15 261.581 268.376 257.510 1.00 0.00 C +ATOM 16 CA VAL A 16 259.196 265.477 258.159 1.00 0.00 C +ATOM 17 CA ALA A 17 255.525 266.479 258.349 1.00 0.00 C +ATOM 18 CA ASP A 18 253.429 265.943 255.212 1.00 0.00 C +ATOM 19 CA SER A 19 255.946 265.299 252.424 1.00 0.00 C +ATOM 20 CA GLN A 20 258.115 262.188 252.782 1.00 0.00 C +ATOM 21 CA GLU A 21 257.527 258.986 254.761 1.00 0.00 C +ATOM 22 CA ALA A 22 258.071 255.784 256.753 1.00 0.00 C +ATOM 23 CA LYS A 23 261.740 254.759 256.735 1.00 0.00 C +ATOM 24 CA ALA A 24 263.014 254.718 253.144 1.00 0.00 C +ATOM 25 CA PRO A 25 263.383 256.905 250.047 1.00 0.00 C +ATOM 26 CA GLN A 26 261.401 259.450 248.019 1.00 0.00 C +ATOM 27 CA SER A 27 263.460 262.404 246.771 1.00 0.00 C +ATOM 28 CA ALA A 28 263.698 262.536 242.971 1.00 0.00 C +ATOM 29 CA PRO A 29 263.383 262.094 239.200 1.00 0.00 C +ATOM 30 CA LYS A 30 264.895 259.724 236.628 1.00 0.00 C +ATOM 31 CA LEU A 31 267.758 260.383 234.203 1.00 0.00 C +ATOM 32 CA SER A 32 267.370 264.015 233.119 1.00 0.00 C +ATOM 33 CA LYS A 33 266.104 267.146 234.883 1.00 0.00 C +ATOM 34 CA SER A 34 266.008 270.828 235.858 1.00 0.00 C +ATOM 35 CA GLU A 35 265.293 273.263 233.015 1.00 0.00 C +ATOM 36 CA ARG A 36 265.661 276.861 231.818 1.00 0.00 C +ATOM 37 CA ARG A 37 263.569 277.187 228.650 1.00 0.00 C +ATOM 38 CA GLN A 38 261.103 278.419 226.021 1.00 0.00 C +ATOM 39 CA GLN A 39 257.757 277.455 224.475 1.00 0.00 C +ATOM 40 CA HIS A 40 257.917 275.306 221.332 1.00 0.00 C +ATOM 41 CA ASN A 41 255.586 272.604 219.999 1.00 0.00 C +ATOM 42 CA GLU A 42 252.888 270.718 218.080 1.00 0.00 C +ATOM 43 CA PHE A 43 250.464 267.812 217.644 1.00 0.00 C +ATOM 44 CA GLN A 44 246.772 267.192 218.353 1.00 0.00 C +ATOM 45 CA LYS A 45 244.936 265.061 220.923 1.00 0.00 C +ATOM 46 CA GLN A 46 242.223 262.912 219.330 1.00 0.00 C +ATOM 47 CA LEU A 47 243.012 261.646 215.824 1.00 0.00 C +ATOM 48 CA TRP A 48 244.303 258.402 214.298 1.00 0.00 C +ATOM 49 CA ASN A 49 247.235 256.012 214.753 1.00 0.00 C +ATOM 50 CA SER A 50 250.583 256.939 213.189 1.00 0.00 C +ATOM 51 CA ALA A 51 253.538 258.083 215.305 1.00 0.00 C +ATOM 52 CA GLU A 52 256.875 258.532 217.088 1.00 0.00 C +ATOM 53 CA ASN A 53 259.576 258.777 219.764 1.00 0.00 C +ATOM 54 CA PRO A 54 258.798 258.916 223.491 1.00 0.00 C +ATOM 55 CA SER A 55 255.264 259.986 224.429 1.00 0.00 C +ATOM 56 CA ARG A 56 252.439 258.459 222.379 1.00 0.00 C +ATOM 57 CA ASN A 57 250.322 255.417 223.258 1.00 0.00 C +ATOM 58 CA HIS A 58 248.867 253.670 220.201 1.00 0.00 C +ATOM 59 CA PHE A 59 250.808 251.240 217.999 1.00 0.00 C +ATOM 60 CA LEU A 60 254.015 251.396 215.948 1.00 0.00 C +ATOM 61 CA GLU A 61 255.991 252.937 213.078 1.00 0.00 C +ATOM 62 CA SER A 62 259.349 251.159 212.797 1.00 0.00 C +ATOM 63 CA ARG A 63 261.912 252.581 215.232 1.00 0.00 C +ATOM 64 CA GLY A 64 263.931 255.679 216.147 1.00 0.00 C +ATOM 65 CA VAL A 65 267.422 255.595 217.671 1.00 0.00 C +ATOM 66 CA VAL A 66 267.506 257.363 221.046 1.00 0.00 C +ATOM 67 CA PRO A 67 270.396 257.621 223.514 1.00 0.00 C +ATOM 68 CA LEU A 68 272.121 255.855 226.417 1.00 0.00 C +ATOM 69 CA LYS A 69 272.363 256.655 230.134 1.00 0.00 C +ATOM 70 CA GLN A 70 274.737 255.065 232.655 1.00 0.00 C +ATOM 71 CA GLU A 71 275.910 252.727 235.425 1.00 0.00 C +ATOM 72 CA TYR A 72 273.520 253.157 238.361 1.00 0.00 C +ATOM 73 CA LYS A 73 269.874 252.187 238.891 1.00 0.00 C +ATOM 74 CA PRO A 74 267.080 253.819 236.878 1.00 0.00 C +ATOM 75 CA GLN A 75 263.954 251.737 236.239 1.00 0.00 C +ATOM 76 CA VAL A 76 260.465 253.145 235.643 1.00 0.00 C +ATOM 77 CA THR A 77 258.537 255.595 237.833 1.00 0.00 C +ATOM 78 CA LEU A 78 257.975 257.190 241.248 1.00 0.00 C +ATOM 79 CA LEU A 79 256.944 256.194 244.778 1.00 0.00 C +ATOM 80 CA SER A 80 257.567 253.083 246.887 1.00 0.00 C +ATOM 81 CA ARG A 81 254.338 251.593 248.254 1.00 0.00 C +ATOM 82 CA LYS A 82 255.457 249.407 251.168 1.00 0.00 C +ATOM 83 CA PRO A 83 253.644 247.328 253.796 1.00 0.00 C +ATOM 84 CA PRO A 84 255.255 246.911 257.223 1.00 0.00 C +ATOM 85 CA PRO A 85 254.187 249.741 259.539 1.00 0.00 C +ATOM 86 CA VAL A 86 255.567 250.061 263.076 1.00 0.00 C +ATOM 87 CA ILE A 87 257.615 252.950 264.482 1.00 0.00 C +ATOM 88 CA ALA A 88 258.401 252.605 268.194 1.00 0.00 C +ATOM 89 CA LYS A 89 256.588 255.135 270.391 1.00 0.00 C +ATOM 90 CA LYS A 90 256.348 254.821 274.181 1.00 0.00 C +ATOM 91 CA ASP A 91 255.109 257.181 276.903 1.00 0.00 C +ATOM 92 CA ALA A 92 256.550 260.536 277.990 1.00 0.00 C +ATOM 93 CA ALA A 93 255.814 263.731 279.931 1.00 0.00 C +ATOM 94 CA ASP A 94 252.094 264.551 279.982 1.00 0.00 C +ATOM 95 CA GLY A 95 250.999 267.064 277.336 1.00 0.00 C +ATOM 96 CA ILE A 96 247.375 267.846 278.214 1.00 0.00 C +ATOM 97 CA HIS A 97 246.467 271.485 277.546 1.00 0.00 C +ATOM 98 CA GLY A 98 244.302 274.211 279.096 1.00 0.00 C +ATOM 99 CA LEU A 99 241.964 276.997 277.962 1.00 0.00 C +ATOM 100 CA THR A 100 240.541 277.396 274.450 1.00 0.00 C +ATOM 101 CA LEU A 101 241.678 279.858 271.773 1.00 0.00 C +ATOM 102 CA ASP A 102 239.073 281.435 269.485 1.00 0.00 C +ATOM 103 CA ASP A 103 235.433 280.310 269.540 1.00 0.00 C +ATOM 104 CA GLY A 104 234.102 276.741 269.575 1.00 0.00 C +ATOM 105 CA ASP A 105 234.237 272.997 268.878 1.00 0.00 C +ATOM 106 CA ASP A 106 235.789 269.641 269.795 1.00 0.00 C +ATOM 107 CA SER A 107 235.771 266.534 267.589 1.00 0.00 C +ATOM 108 CA GLU A 108 234.702 263.516 269.655 1.00 0.00 C +ATOM 109 CA ASP A 109 234.512 259.743 269.165 1.00 0.00 C +ATOM 110 CA GLU A 110 237.375 257.732 267.657 1.00 0.00 C +ATOM 111 CA ALA A 111 239.229 255.985 270.490 1.00 0.00 C +ATOM 112 CA ARG A 112 241.144 252.732 271.001 1.00 0.00 C +ATOM 113 CA ARG A 113 241.541 249.357 272.725 1.00 0.00 C +ATOM 114 CA LYS A 114 239.219 248.884 275.708 1.00 0.00 C +ATOM 115 CA ARG A 115 237.449 248.677 279.076 1.00 0.00 C +ATOM 116 CA ASP A 116 236.194 252.154 279.999 1.00 0.00 C +ATOM 117 CA ALA A 117 237.272 254.395 277.113 1.00 0.00 C +ATOM 118 CA ASP A 118 240.190 256.811 277.520 1.00 0.00 C +ATOM 119 CA PHE A 119 240.850 260.016 275.569 1.00 0.00 C +ATOM 120 CA GLU A 120 243.009 263.149 275.383 1.00 0.00 C +ATOM 121 CA GLU A 121 244.663 264.484 272.221 1.00 0.00 C +ATOM 122 CA ARG A 122 244.691 267.850 270.437 1.00 0.00 C +ATOM 123 CA GLN A 123 242.641 269.187 267.517 1.00 0.00 C +ATOM 124 CA ARG A 124 243.491 272.255 265.424 1.00 0.00 C +ATOM 125 CA LYS A 125 242.103 275.548 266.746 1.00 0.00 C +ATOM 126 CA ALA A 126 243.114 278.164 264.167 1.00 0.00 C +ATOM 127 CA LYS A 127 243.313 277.614 260.403 1.00 0.00 C +ATOM 128 CA VAL A 128 244.489 276.255 257.043 1.00 0.00 C +ATOM 129 CA GLU A 129 242.230 276.738 254.013 1.00 0.00 C +ATOM 130 CA ARG A 130 240.140 273.706 253.037 1.00 0.00 C +ATOM 131 CA GLU A 131 237.870 272.726 250.138 1.00 0.00 C +ATOM 132 CA GLU A 132 235.083 275.241 249.485 1.00 0.00 C +ATOM 133 CA LYS A 133 234.048 277.109 246.330 1.00 0.00 C +ATOM 134 CA GLN A 134 231.799 279.434 244.316 1.00 0.00 C +ATOM 135 CA ARG A 135 229.539 278.696 241.339 1.00 0.00 C +ATOM 136 CA LYS A 136 229.045 277.680 237.700 1.00 0.00 C +ATOM 137 CA TYR A 137 226.628 277.634 234.755 1.00 0.00 C +ATOM 138 CA ALA A 138 228.111 275.099 232.327 1.00 0.00 C +ATOM 139 CA GLU A 139 225.691 272.173 232.017 1.00 0.00 C +ATOM 140 CA ALA A 140 223.736 270.045 234.500 1.00 0.00 C +ATOM 141 CA ARG A 141 224.872 269.651 238.116 1.00 0.00 C +ATOM 142 CA GLU A 142 225.695 265.971 238.661 1.00 0.00 C +ATOM 143 CA ARG A 143 227.712 262.817 237.958 1.00 0.00 C +ATOM 144 CA ILE A 144 229.886 260.773 235.589 1.00 0.00 C +ATOM 145 CA MET A 145 233.413 259.550 234.829 1.00 0.00 C +ATOM 146 CA GLY A 146 235.259 257.217 237.210 1.00 0.00 C +ATOM 147 CA SER A 147 233.676 253.904 238.225 1.00 0.00 C +ATOM 148 CA SER A 148 232.446 250.609 239.689 1.00 0.00 C +ATOM 149 CA ILE A 149 232.223 247.081 238.267 1.00 0.00 C +ATOM 150 CA PRO A 150 235.545 245.363 238.995 1.00 0.00 C +ATOM 151 CA GLY A 151 236.455 241.941 240.400 1.00 0.00 C +ATOM 152 CA THR A 152 233.971 239.053 240.505 1.00 0.00 C +ATOM 153 CA PRO A 153 235.452 235.964 238.837 1.00 0.00 C +ATOM 154 CA ALA A 154 238.542 235.116 240.898 1.00 0.00 C +ATOM 155 CA VAL A 155 238.824 234.488 244.645 1.00 0.00 C +ATOM 156 CA GLY A 156 238.992 236.324 247.980 1.00 0.00 C +ATOM 157 CA SER A 157 242.510 237.601 248.695 1.00 0.00 C +ATOM 158 CA ARG A 158 242.013 241.167 249.941 1.00 0.00 C +ATOM 159 CA GLU A 159 243.455 244.607 249.164 1.00 0.00 C +ATOM 160 CA SER A 160 241.938 247.036 251.677 1.00 0.00 C +ATOM 161 CA SER A 161 240.139 250.393 251.578 1.00 0.00 C +ATOM 162 CA GLN A 162 239.845 254.190 251.457 1.00 0.00 C +ATOM 163 CA GLY A 163 238.163 256.177 254.239 1.00 0.00 C +ATOM 164 CA ARG A 164 236.851 258.431 257.016 1.00 0.00 C +ATOM 165 CA ASN A 165 235.996 259.798 260.469 1.00 0.00 C +ATOM 166 CA ASP A 166 232.739 258.754 262.147 1.00 0.00 C +ATOM 167 CA ASN A 167 229.814 257.473 264.225 1.00 0.00 C +ATOM 168 CA ARG A 168 227.453 260.004 265.817 1.00 0.00 C +ATOM 169 CA ARG A 169 224.788 258.723 268.219 1.00 0.00 C +ATOM 170 CA ARG A 170 223.136 255.345 268.832 1.00 0.00 C +ATOM 171 CA GLY A 171 220.629 254.280 266.168 1.00 0.00 C +ATOM 172 CA ARG A 172 220.685 251.697 263.368 1.00 0.00 C +ATOM 173 CA GLY A 173 223.221 248.950 264.100 1.00 0.00 C +ATOM 174 CA GLY A 174 225.647 250.214 266.752 1.00 0.00 C +ATOM 175 CA GLY A 175 229.233 250.571 265.513 1.00 0.00 C +ATOM 176 CA GLY A 176 232.830 249.439 264.973 1.00 0.00 C +ATOM 177 CA PRO A 177 234.312 246.394 263.227 1.00 0.00 C +ATOM 178 CA LYS A 178 236.180 244.375 260.590 1.00 0.00 C +ATOM 179 CA THR A 179 238.750 244.979 257.843 1.00 0.00 C +ATOM 180 CA SER A 180 239.958 242.219 255.511 1.00 0.00 C +ATOM 181 CA ARG A 181 236.869 241.218 253.519 1.00 0.00 C +ATOM 182 CA PRO A 182 233.158 241.480 252.697 1.00 0.00 C +ATOM 183 CA THR A 183 231.043 239.231 254.930 1.00 0.00 C +ATOM 184 CA SER A 184 231.633 239.461 258.687 1.00 0.00 C +ATOM 185 CA ALA A 185 233.116 236.469 260.520 1.00 0.00 C +ATOM 186 CA ASP A 186 232.678 232.717 260.021 1.00 0.00 C +ATOM 187 CA GLN A 187 234.464 229.640 258.658 1.00 0.00 C +ATOM 188 CA SER A 188 238.174 230.045 259.422 1.00 0.00 C +ATOM 189 CA PRO A 189 241.182 229.874 257.089 1.00 0.00 C +ATOM 190 CA LYS A 190 244.874 229.136 257.670 1.00 0.00 C +ATOM 191 CA ALA A 191 247.018 225.992 257.841 1.00 0.00 C +ATOM 192 CA PRO A 192 245.992 223.124 260.130 1.00 0.00 C +ATOM 193 CA GLY A 193 245.523 219.474 259.143 1.00 0.00 C +ATOM 194 CA SER A 194 243.577 216.265 258.485 1.00 0.00 C +ATOM 195 CA PRO A 195 240.576 215.121 260.536 1.00 0.00 C +ATOM 196 CA ALA A 196 237.426 215.154 258.393 1.00 0.00 C +ATOM 197 CA PHE A 197 236.008 218.657 257.904 1.00 0.00 C +ATOM 198 CA GLY A 198 236.459 220.827 261.002 1.00 0.00 C +ATOM 199 CA PRO A 199 238.302 224.089 260.309 1.00 0.00 C +ATOM 200 CA THR A 200 240.499 224.781 263.344 1.00 0.00 C +ATOM 201 CA ALA A 201 242.418 226.646 266.056 1.00 0.00 C +ATOM 202 CA SER A 202 245.379 224.828 267.620 1.00 0.00 C +ATOM 203 CA THR A 203 245.696 221.756 269.851 1.00 0.00 C +ATOM 204 CA GLY A 204 245.146 218.260 271.263 1.00 0.00 C +ATOM 205 CA PRO A 205 247.760 215.708 270.182 1.00 0.00 C +ATOM 206 CA GLY A 206 251.515 215.172 269.824 1.00 0.00 C +ATOM 207 CA GLN A 207 254.326 215.745 272.331 1.00 0.00 C +ATOM 208 CA LEU A 208 256.974 218.356 273.161 1.00 0.00 C +ATOM 209 CA TYR A 209 256.667 222.103 273.774 1.00 0.00 C +ATOM 210 CA ASP A 210 254.265 224.975 273.067 1.00 0.00 C +ATOM 211 CA PRO A 211 255.598 228.086 271.317 1.00 0.00 C +ATOM 212 CA GLU A 212 255.268 231.539 272.893 1.00 0.00 C +ATOM 213 CA ASP A 213 257.526 234.502 273.694 1.00 0.00 C +ATOM 214 CA MET A 214 260.443 234.860 271.270 1.00 0.00 C +ATOM 215 CA GLY A 215 262.114 231.599 270.226 1.00 0.00 C +ATOM 216 CA ARG A 216 265.024 230.024 268.337 1.00 0.00 C +ATOM 217 CA ARG A 217 264.814 230.484 264.560 1.00 0.00 C +ATOM 218 CA ILE A 218 265.420 229.235 261.012 1.00 0.00 C +ATOM 219 CA SER A 219 266.725 226.448 258.765 1.00 0.00 C +ATOM 220 CA LYS A 220 268.052 223.768 256.405 1.00 0.00 C +ATOM 221 CA PRO A 221 269.060 224.854 252.895 1.00 0.00 C +ATOM 222 CA SER A 222 272.619 223.558 252.475 1.00 0.00 C +ATOM 223 CA THR A 223 275.850 223.406 250.462 1.00 0.00 C +ATOM 224 CA PRO A 224 276.227 225.706 247.448 1.00 0.00 C +ATOM 225 CA ASN A 225 272.888 226.600 245.845 1.00 0.00 C +ATOM 226 CA GLN A 226 270.496 229.379 246.881 1.00 0.00 C +ATOM 227 CA ASP A 227 267.574 230.087 244.541 1.00 0.00 C +ATOM 228 CA GLY A 228 264.530 229.243 242.410 1.00 0.00 C +ATOM 229 CA PRO A 229 262.664 227.585 239.532 1.00 0.00 C +ATOM 230 CA SER A 230 259.323 225.764 239.715 1.00 0.00 C +ATOM 231 CA ARG A 231 256.579 225.069 242.265 1.00 0.00 C +ATOM 232 CA GLN A 232 253.018 223.992 243.088 1.00 0.00 C +ATOM 233 CA PRO A 233 250.820 220.937 242.491 1.00 0.00 C +ATOM 234 CA ARG A 234 248.946 219.748 239.394 1.00 0.00 C +ATOM 235 CA GLY A 235 250.072 221.468 236.186 1.00 0.00 C +ATOM 236 CA PRO A 236 250.024 224.798 234.337 1.00 0.00 C +ATOM 237 CA ASP A 237 250.675 226.550 231.016 1.00 0.00 C +ATOM 238 CA GLY A 238 250.164 228.312 227.677 1.00 0.00 C +ATOM 239 CA THR A 239 251.405 227.721 224.124 1.00 0.00 C +ATOM 240 CA GLY A 240 254.359 227.420 221.736 1.00 0.00 C +ATOM 241 CA ARG A 241 257.529 225.375 222.268 1.00 0.00 C +ATOM 242 CA GLY A 242 260.222 224.569 224.839 1.00 0.00 C +ATOM 243 CA GLY A 243 263.009 223.266 227.088 1.00 0.00 C +ATOM 244 CA PHE A 244 265.859 222.454 229.483 1.00 0.00 C +ATOM 245 CA GLY A 245 265.806 219.275 231.582 1.00 0.00 C +ATOM 246 CA PHE A 246 268.813 217.049 230.863 1.00 0.00 C +ATOM 247 CA ALA A 247 271.949 216.685 228.729 1.00 0.00 C +ATOM 248 CA ALA A 248 274.119 213.678 229.604 1.00 0.00 C +ATOM 249 CA ARG A 249 274.067 212.724 233.293 1.00 0.00 C +ATOM 250 CA GLY A 250 276.588 209.886 233.621 1.00 0.00 C +ATOM 251 CA GLY A 251 277.512 209.251 237.262 1.00 0.00 C +ATOM 252 CA ARG A 252 279.931 211.983 238.357 1.00 0.00 C +ATOM 253 CA GLY A 253 280.083 211.668 242.151 1.00 0.00 C +ATOM 254 CA ALA A 254 277.161 211.570 244.594 1.00 0.00 C +ATOM 255 CA GLY A 255 274.046 212.479 242.597 1.00 0.00 C +TER 256 GLY A 255 +END diff --git a/Fungi/A0A3M7ABJ8/A0A3M7ABJ8.dcd b/Fungi/A0A3M7ABJ8/A0A3M7ABJ8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e34427469718aae5de2b81ee14f9992ece937718 --- /dev/null +++ b/Fungi/A0A3M7ABJ8/A0A3M7ABJ8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9cd7b00d9feb6d03df2b8ca4dd6fbbf6d9c74da35feb585b4b5084536b831bef +size 20840276 diff --git a/Fungi/A0A3M7ABJ8/top.pdb b/Fungi/A0A3M7ABJ8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..16447d3b5173d8112f48d84800f9351002cde298 --- /dev/null +++ b/Fungi/A0A3M7ABJ8/top.pdb @@ -0,0 +1,171 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 304.135 210.856 239.233 1.00 0.00 C +ATOM 2 CA ALA A 2 306.502 207.893 239.596 1.00 0.00 C +ATOM 3 CA SER A 3 310.181 208.760 239.116 1.00 0.00 C +ATOM 4 CA THR A 4 310.944 208.409 235.400 1.00 0.00 C +ATOM 5 CA SER A 5 313.712 207.966 232.819 1.00 0.00 C +ATOM 6 CA THR A 6 316.600 208.951 230.538 1.00 0.00 C +ATOM 7 CA ASN A 7 317.227 212.555 229.473 1.00 0.00 C +ATOM 8 CA LYS A 8 320.621 213.865 230.604 1.00 0.00 C +ATOM 9 CA ARG A 9 323.003 216.265 232.360 1.00 0.00 C +ATOM 10 CA SER A 10 320.782 218.959 233.885 1.00 0.00 C +ATOM 11 CA SER A 11 322.777 222.178 234.309 1.00 0.00 C +ATOM 12 CA TYR A 12 326.489 222.432 235.128 1.00 0.00 C +ATOM 13 CA MET A 13 328.720 222.137 238.202 1.00 0.00 C +ATOM 14 CA PRO A 14 327.273 224.494 240.822 1.00 0.00 C +ATOM 15 CA LEU A 15 323.617 225.566 240.807 1.00 0.00 C +ATOM 16 CA SER A 16 322.597 229.157 241.570 1.00 0.00 C +ATOM 17 CA VAL A 17 320.902 231.124 244.358 1.00 0.00 C +ATOM 18 CA GLN A 18 317.136 231.322 243.817 1.00 0.00 C +ATOM 19 CA PRO A 19 313.602 232.605 243.200 1.00 0.00 C +ATOM 20 CA VAL A 20 311.071 230.058 244.474 1.00 0.00 C +ATOM 21 CA TYR A 21 308.610 230.397 247.362 1.00 0.00 C +ATOM 22 CA SER A 22 306.282 232.982 248.916 1.00 0.00 C +ATOM 23 CA SER A 23 305.096 236.290 247.445 1.00 0.00 C +ATOM 24 CA SER A 24 302.571 238.484 249.269 1.00 0.00 C +ATOM 25 CA THR A 25 299.197 239.905 250.322 1.00 0.00 C +ATOM 26 CA ALA A 26 295.669 241.273 250.772 1.00 0.00 C +ATOM 27 CA ASP A 27 294.654 244.168 248.514 1.00 0.00 C +ATOM 28 CA ALA A 28 295.202 247.433 250.400 1.00 0.00 C +ATOM 29 CA ASN A 29 294.965 251.158 251.166 1.00 0.00 C +ATOM 30 CA ALA A 30 291.588 252.499 252.312 1.00 0.00 C +ATOM 31 CA SER A 31 291.871 256.029 253.717 1.00 0.00 C +ATOM 32 CA ALA A 32 292.089 258.972 251.307 1.00 0.00 C +ATOM 33 CA THR A 33 292.754 257.378 247.911 1.00 0.00 C +ATOM 34 CA PRO A 34 295.235 259.707 246.197 1.00 0.00 C +ATOM 35 CA ASP A 35 297.345 261.833 243.842 1.00 0.00 C +ATOM 36 CA SER A 36 299.278 264.726 245.394 1.00 0.00 C +ATOM 37 CA PRO A 37 301.849 266.539 247.543 1.00 0.00 C +ATOM 38 CA PRO A 38 300.162 269.286 249.573 1.00 0.00 C +ATOM 39 CA GLU A 39 302.200 271.397 252.004 1.00 0.00 C +ATOM 40 CA SER A 40 304.980 269.367 253.637 1.00 0.00 C +ATOM 41 CA PRO A 41 306.803 266.376 255.136 1.00 0.00 C +ATOM 42 CA ALA A 42 304.984 263.262 253.909 1.00 0.00 C +ATOM 43 CA SER A 43 302.301 261.793 256.180 1.00 0.00 C +ATOM 44 CA SER A 44 299.026 260.417 257.557 1.00 0.00 C +ATOM 45 CA ALA A 45 296.777 263.219 258.823 1.00 0.00 C +ATOM 46 CA GLY A 46 293.752 264.953 260.360 1.00 0.00 C +ATOM 47 CA ARG A 47 290.333 266.152 259.182 1.00 0.00 C +ATOM 48 CA PRO A 48 287.259 266.199 261.434 1.00 0.00 C +ATOM 49 CA PRO A 49 286.087 264.123 264.406 1.00 0.00 C +ATOM 50 CA THR A 50 288.632 261.941 266.217 1.00 0.00 C +ATOM 51 CA PRO A 51 289.229 258.482 267.697 1.00 0.00 C +ATOM 52 CA GLY A 52 289.584 255.718 265.099 1.00 0.00 C +ATOM 53 CA GLY A 53 287.763 252.489 264.216 1.00 0.00 C +ATOM 54 CA GLY A 54 285.129 252.798 261.481 1.00 0.00 C +ATOM 55 CA PRO A 55 282.467 253.603 258.877 1.00 0.00 C +ATOM 56 CA LEU A 56 279.765 254.056 256.229 1.00 0.00 C +ATOM 57 CA THR A 57 276.784 251.929 255.177 1.00 0.00 C +ATOM 58 CA SER A 58 273.477 253.561 254.222 1.00 0.00 C +ATOM 59 CA HIS A 59 272.150 256.250 251.871 1.00 0.00 C +ATOM 60 CA PRO A 60 269.517 256.864 249.187 1.00 0.00 C +ATOM 61 CA THR A 61 268.494 260.467 248.488 1.00 0.00 C +ATOM 62 CA ASN A 62 265.138 262.193 249.013 1.00 0.00 C +ATOM 63 CA PRO A 63 263.619 264.030 251.985 1.00 0.00 C +ATOM 64 CA ASN A 64 263.979 263.087 255.658 1.00 0.00 C +ATOM 65 CA ASP A 65 267.378 263.567 257.312 1.00 0.00 C +ATOM 66 CA LEU A 66 269.124 266.953 257.329 1.00 0.00 C +ATOM 67 CA SER A 67 269.844 270.151 255.386 1.00 0.00 C +ATOM 68 CA GLY A 68 266.888 271.883 253.719 1.00 0.00 C +ATOM 69 CA ALA A 69 264.134 274.301 252.680 1.00 0.00 C +ATOM 70 CA PHE A 70 261.276 276.567 251.577 1.00 0.00 C +ATOM 71 CA PRO A 71 258.279 277.618 253.682 1.00 0.00 C +ATOM 72 CA PRO A 72 257.626 279.181 257.094 1.00 0.00 C +ATOM 73 CA THR A 73 254.415 279.706 259.077 1.00 0.00 C +ATOM 74 CA PRO A 74 254.437 282.869 261.201 1.00 0.00 C +ATOM 75 CA ASP A 75 252.367 283.770 264.271 1.00 0.00 C +ATOM 76 CA PRO A 76 249.108 285.722 263.981 1.00 0.00 C +ATOM 77 CA GLU A 77 245.653 284.995 262.550 1.00 0.00 C +ATOM 78 CA ARG A 78 244.146 282.417 260.183 1.00 0.00 C +ATOM 79 CA GLU A 79 244.378 278.902 261.634 1.00 0.00 C +ATOM 80 CA SER A 80 242.468 275.919 260.229 1.00 0.00 C +ATOM 81 CA GLN A 81 242.358 273.099 257.669 1.00 0.00 C +ATOM 82 CA ARG A 82 244.659 271.677 254.986 1.00 0.00 C +ATOM 83 CA ALA A 83 246.169 268.179 254.927 1.00 0.00 C +ATOM 84 CA PRO A 84 248.643 265.304 254.569 1.00 0.00 C +ATOM 85 CA SER A 85 249.281 263.224 257.697 1.00 0.00 C +ATOM 86 CA ILE A 86 250.912 260.137 259.221 1.00 0.00 C +ATOM 87 CA HIS A 87 254.253 259.191 257.652 1.00 0.00 C +ATOM 88 CA SER A 88 255.866 260.768 254.582 1.00 0.00 C +ATOM 89 CA ASN A 89 257.642 259.029 251.694 1.00 0.00 C +ATOM 90 CA PHE A 90 256.914 256.664 248.797 1.00 0.00 C +ATOM 91 CA LYS A 91 257.388 257.290 245.069 1.00 0.00 C +ATOM 92 CA GLN A 92 255.336 257.554 241.870 1.00 0.00 C +ATOM 93 CA GLN A 93 253.838 259.272 238.817 1.00 0.00 C +ATOM 94 CA GLN A 94 250.372 257.751 238.388 1.00 0.00 C +ATOM 95 CA GLN A 95 249.287 254.149 238.992 1.00 0.00 C +ATOM 96 CA ARG A 96 249.737 250.390 239.420 1.00 0.00 C +ATOM 97 CA ARG A 97 246.704 248.113 239.061 1.00 0.00 C +ATOM 98 CA GLU A 98 243.740 250.411 239.734 1.00 0.00 C +ATOM 99 CA SER A 99 240.409 248.982 240.908 1.00 0.00 C +ATOM 100 CA VAL A 100 239.236 250.784 244.053 1.00 0.00 C +ATOM 101 CA PHE A 101 241.227 252.488 246.819 1.00 0.00 C +ATOM 102 CA LYS A 102 244.895 253.502 247.011 1.00 0.00 C +ATOM 103 CA LEU A 103 246.774 251.866 249.893 1.00 0.00 C +ATOM 104 CA PRO A 104 246.206 248.099 249.810 1.00 0.00 C +ATOM 105 CA ILE A 105 242.774 247.074 251.108 1.00 0.00 C +ATOM 106 CA SER A 106 239.871 246.293 248.767 1.00 0.00 C +ATOM 107 CA PRO A 107 240.672 243.201 246.690 1.00 0.00 C +ATOM 108 CA ALA A 108 238.137 240.521 247.639 1.00 0.00 C +ATOM 109 CA SER A 109 238.126 236.825 246.716 1.00 0.00 C +ATOM 110 CA ALA A 110 235.117 235.018 248.198 1.00 0.00 C +ATOM 111 CA SER A 111 233.242 231.755 248.789 1.00 0.00 C +ATOM 112 CA PRO A 112 229.667 230.554 249.335 1.00 0.00 C +ATOM 113 CA ALA A 113 227.385 229.624 252.241 1.00 0.00 C +ATOM 114 CA ALA A 114 227.259 227.976 255.673 1.00 0.00 C +ATOM 115 CA GLN A 115 224.280 227.685 258.031 1.00 0.00 C +ATOM 116 CA SER A 116 222.784 228.996 261.280 1.00 0.00 C +ATOM 117 CA PRO A 117 219.976 231.328 262.373 1.00 0.00 C +ATOM 118 CA GLU A 118 218.448 233.989 264.631 1.00 0.00 C +ATOM 119 CA GLU A 119 220.030 237.078 266.204 1.00 0.00 C +ATOM 120 CA PRO A 120 219.577 240.859 266.325 1.00 0.00 C +ATOM 121 CA PRO A 121 216.213 242.640 266.491 1.00 0.00 C +ATOM 122 CA GLN A 122 213.197 244.810 267.335 1.00 0.00 C +ATOM 123 CA ASN A 123 212.188 247.653 269.662 1.00 0.00 C +ATOM 124 CA ARG A 124 208.395 247.810 269.985 1.00 0.00 C +ATOM 125 CA ARG A 125 205.482 246.296 268.052 1.00 0.00 C +ATOM 126 CA ALA A 126 202.598 246.286 265.563 1.00 0.00 C +ATOM 127 CA SER A 127 199.639 247.971 263.853 1.00 0.00 C +ATOM 128 CA GLY A 128 197.035 246.640 261.410 1.00 0.00 C +ATOM 129 CA VAL A 129 195.712 245.626 257.985 1.00 0.00 C +ATOM 130 CA ARG A 130 197.996 245.388 254.945 1.00 0.00 C +ATOM 131 CA LYS A 131 201.373 246.769 256.044 1.00 0.00 C +ATOM 132 CA LEU A 132 202.745 249.907 254.376 1.00 0.00 C +ATOM 133 CA LEU A 133 204.779 251.227 251.437 1.00 0.00 C +ATOM 134 CA SER A 134 205.384 248.860 248.513 1.00 0.00 C +ATOM 135 CA LEU A 135 208.908 248.185 247.232 1.00 0.00 C +ATOM 136 CA SER A 136 210.436 245.221 245.389 1.00 0.00 C +ATOM 137 CA SER A 137 210.116 242.777 242.483 1.00 0.00 C +ATOM 138 CA LEU A 138 206.497 242.423 241.344 1.00 0.00 C +ATOM 139 CA ARG A 139 203.021 242.913 242.825 1.00 0.00 C +ATOM 140 CA SER A 140 201.066 239.645 242.721 1.00 0.00 C +ATOM 141 CA SER A 141 201.975 236.521 244.704 1.00 0.00 C +ATOM 142 CA PHE A 142 199.486 234.744 246.976 1.00 0.00 C +ATOM 143 CA SER A 143 197.680 235.473 250.250 1.00 0.00 C +ATOM 144 CA SER A 144 194.183 236.897 250.756 1.00 0.00 C +ATOM 145 CA SER A 145 190.529 236.989 251.831 1.00 0.00 C +ATOM 146 CA ARG A 146 187.325 238.798 252.820 1.00 0.00 C +ATOM 147 CA THR A 147 185.510 241.295 250.586 1.00 0.00 C +ATOM 148 CA SER A 148 183.682 240.893 247.268 1.00 0.00 C +ATOM 149 CA LEU A 149 181.263 238.792 245.206 1.00 0.00 C +ATOM 150 CA SER A 150 180.073 238.555 241.595 1.00 0.00 C +ATOM 151 CA LEU A 151 176.637 240.165 241.253 1.00 0.00 C +ATOM 152 CA PRO A 152 176.413 242.887 238.596 1.00 0.00 C +ATOM 153 CA GLN A 153 174.384 246.047 239.239 1.00 0.00 C +ATOM 154 CA GLN A 154 171.310 248.192 239.919 1.00 0.00 C +ATOM 155 CA GLN A 155 168.421 250.350 241.150 1.00 0.00 C +ATOM 156 CA PRO A 156 166.588 252.830 238.912 1.00 0.00 C +ATOM 157 CA SER A 157 165.455 253.363 235.314 1.00 0.00 C +ATOM 158 CA GLU A 158 167.321 256.336 233.832 1.00 0.00 C +ATOM 159 CA GLN A 159 166.620 259.980 234.693 1.00 0.00 C +ATOM 160 CA SER A 160 168.401 263.328 234.317 1.00 0.00 C +ATOM 161 CA ASN A 161 166.023 266.293 234.580 1.00 0.00 C +ATOM 162 CA TYR A 162 166.354 269.028 237.212 1.00 0.00 C +ATOM 163 CA HIS A 163 166.064 270.458 240.732 1.00 0.00 C +ATOM 164 CA PRO A 164 165.239 270.724 244.442 1.00 0.00 C +ATOM 165 CA TRP A 165 162.430 270.790 247.015 1.00 0.00 C +ATOM 166 CA GLN A 166 159.082 269.905 245.427 1.00 0.00 C +ATOM 167 CA ALA A 167 155.520 270.763 246.471 1.00 0.00 C +TER 168 ALA A 167 +END diff --git a/Fungi/A0A3M7B377/A0A3M7B377.dcd b/Fungi/A0A3M7B377/A0A3M7B377.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f58f3fb39e2e3609f261971d032400d62e4240c2 --- /dev/null +++ b/Fungi/A0A3M7B377/A0A3M7B377.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a8e74ec598b0332688c54b85162c983ac5377ea55499915b22847b9eea9935ac +size 40980276 diff --git a/Fungi/A0A3M7B377/top.pdb b/Fungi/A0A3M7B377/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4c4a6100517a757f21bbe3e6e735792116329595 --- /dev/null +++ b/Fungi/A0A3M7B377/top.pdb @@ -0,0 +1,225 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 210.835 257.973 307.435 1.00 0.00 C +ATOM 2 CA ALA A 2 211.153 254.352 308.576 1.00 0.00 C +ATOM 3 CA ASP A 3 211.182 251.470 306.083 1.00 0.00 C +ATOM 4 CA ASP A 4 214.782 250.332 305.571 1.00 0.00 C +ATOM 5 CA ILE A 5 217.144 253.247 306.235 1.00 0.00 C +ATOM 6 CA THR A 6 217.246 254.561 309.810 1.00 0.00 C +ATOM 7 CA PRO A 7 216.661 253.259 313.342 1.00 0.00 C +ATOM 8 CA THR A 8 216.040 252.479 317.020 1.00 0.00 C +ATOM 9 CA SER A 9 215.683 248.816 318.003 1.00 0.00 C +ATOM 10 CA SER A 10 218.408 246.287 318.838 1.00 0.00 C +ATOM 11 CA HIS A 11 221.140 243.687 319.375 1.00 0.00 C +ATOM 12 CA GLY A 12 223.654 241.463 321.178 1.00 0.00 C +ATOM 13 CA THR A 13 227.420 240.985 321.495 1.00 0.00 C +ATOM 14 CA ALA A 14 228.757 244.354 322.669 1.00 0.00 C +ATOM 15 CA SER A 15 231.814 245.891 320.993 1.00 0.00 C +ATOM 16 CA SER A 16 234.875 245.036 318.892 1.00 0.00 C +ATOM 17 CA ASN A 17 237.433 243.498 321.260 1.00 0.00 C +ATOM 18 CA ASP A 18 240.569 241.866 322.679 1.00 0.00 C +ATOM 19 CA ARG A 19 244.282 241.013 322.588 1.00 0.00 C +ATOM 20 CA SER A 20 245.320 238.359 320.060 1.00 0.00 C +ATOM 21 CA SER A 21 248.798 237.987 318.550 1.00 0.00 C +ATOM 22 CA LEU A 22 248.844 237.028 314.863 1.00 0.00 C +ATOM 23 CA LYS A 23 252.346 236.026 313.744 1.00 0.00 C +ATOM 24 CA PRO A 24 253.012 235.334 310.057 1.00 0.00 C +ATOM 25 CA ARG A 25 253.086 233.264 306.859 1.00 0.00 C +ATOM 26 CA PRO A 26 255.271 233.773 303.779 1.00 0.00 C +ATOM 27 CA LEU A 27 256.285 235.789 300.710 1.00 0.00 C +ATOM 28 CA ASN A 28 255.408 235.609 297.007 1.00 0.00 C +ATOM 29 CA PHE A 29 253.069 234.325 294.287 1.00 0.00 C +ATOM 30 CA SER A 30 252.991 231.744 291.485 1.00 0.00 C +ATOM 31 CA ARG A 31 250.948 233.416 288.738 1.00 0.00 C +ATOM 32 CA PRO A 32 253.075 236.054 286.996 1.00 0.00 C +ATOM 33 CA ARG A 33 253.875 239.323 285.211 1.00 0.00 C +ATOM 34 CA PRO A 34 253.572 239.066 281.422 1.00 0.00 C +ATOM 35 CA THR A 35 253.091 236.581 278.574 1.00 0.00 C +ATOM 36 CA ARG A 36 252.475 233.132 277.077 1.00 0.00 C +ATOM 37 CA VAL A 37 253.182 230.272 279.493 1.00 0.00 C +ATOM 38 CA ASP A 38 256.178 228.760 281.297 1.00 0.00 C +ATOM 39 CA SER A 39 256.445 225.040 282.078 1.00 0.00 C +ATOM 40 CA LYS A 40 259.202 223.644 279.849 1.00 0.00 C +ATOM 41 CA GLN A 41 259.830 219.909 279.442 1.00 0.00 C +ATOM 42 CA LYS A 42 260.304 216.129 279.365 1.00 0.00 C +ATOM 43 CA ILE A 43 263.480 214.025 279.321 1.00 0.00 C +ATOM 44 CA TYR A 44 264.199 213.485 275.619 1.00 0.00 C +ATOM 45 CA HIS A 45 266.651 211.581 273.410 1.00 0.00 C +ATOM 46 CA ASP A 46 270.194 211.293 272.041 1.00 0.00 C +ATOM 47 CA HIS A 47 273.676 212.499 273.008 1.00 0.00 C +ATOM 48 CA SER A 48 276.392 215.161 273.240 1.00 0.00 C +ATOM 49 CA GLY A 49 280.082 214.247 273.499 1.00 0.00 C +ATOM 50 CA GLY A 50 280.766 213.937 277.235 1.00 0.00 C +ATOM 51 CA GLY A 51 283.420 211.269 277.827 1.00 0.00 C +ATOM 52 CA SER A 52 286.837 210.699 279.414 1.00 0.00 C +ATOM 53 CA GLY A 53 288.212 210.603 282.966 1.00 0.00 C +ATOM 54 CA SER A 54 288.862 212.180 286.373 1.00 0.00 C +ATOM 55 CA GLY A 55 288.454 215.237 288.611 1.00 0.00 C +ATOM 56 CA GLY A 56 285.794 217.957 288.814 1.00 0.00 C +ATOM 57 CA GLY A 57 282.525 219.766 289.560 1.00 0.00 C +ATOM 58 CA ARG A 58 282.437 222.957 287.481 1.00 0.00 C +ATOM 59 CA VAL A 59 285.046 225.677 286.925 1.00 0.00 C +ATOM 60 CA ARG A 60 284.017 229.316 286.456 1.00 0.00 C +ATOM 61 CA GLY A 61 281.760 232.152 285.282 1.00 0.00 C +ATOM 62 CA ILE A 62 280.882 234.638 288.033 1.00 0.00 C +ATOM 63 CA SER A 63 279.246 232.808 290.947 1.00 0.00 C +ATOM 64 CA ALA A 64 275.743 232.415 292.393 1.00 0.00 C +ATOM 65 CA PHE A 65 272.657 232.990 290.235 1.00 0.00 C +ATOM 66 CA HIS A 66 270.668 230.053 288.843 1.00 0.00 C +ATOM 67 CA GLU A 67 271.050 230.189 285.055 1.00 0.00 C +ATOM 68 CA PRO A 68 272.599 228.572 281.972 1.00 0.00 C +ATOM 69 CA SER A 69 276.017 227.080 281.194 1.00 0.00 C +ATOM 70 CA SER A 70 279.383 228.708 280.462 1.00 0.00 C +ATOM 71 CA ALA A 71 280.370 231.198 277.752 1.00 0.00 C +ATOM 72 CA SER A 72 278.718 234.516 276.869 1.00 0.00 C +ATOM 73 CA THR A 73 277.609 234.466 273.224 1.00 0.00 C +ATOM 74 CA SER A 74 273.804 234.665 273.221 1.00 0.00 C +ATOM 75 CA ASN A 75 270.478 232.834 273.540 1.00 0.00 C +ATOM 76 CA GLY A 76 267.417 234.307 275.265 1.00 0.00 C +ATOM 77 CA ARG A 77 263.683 234.966 275.644 1.00 0.00 C +ATOM 78 CA ASP A 78 260.424 236.364 277.036 1.00 0.00 C +ATOM 79 CA HIS A 79 261.015 237.518 280.618 1.00 0.00 C +ATOM 80 CA LEU A 80 260.572 240.049 283.431 1.00 0.00 C +ATOM 81 CA PRO A 81 262.364 243.277 282.490 1.00 0.00 C +ATOM 82 CA ARG A 82 261.565 246.731 281.095 1.00 0.00 C +ATOM 83 CA GLU A 83 263.418 249.730 279.650 1.00 0.00 C +ATOM 84 CA PRO A 84 266.248 251.880 278.277 1.00 0.00 C +ATOM 85 CA ARG A 85 269.677 253.540 278.296 1.00 0.00 C +ATOM 86 CA PHE A 86 269.624 256.990 276.680 1.00 0.00 C +ATOM 87 CA SER A 87 267.156 259.155 278.613 1.00 0.00 C +ATOM 88 CA ILE A 88 264.027 261.302 278.949 1.00 0.00 C +ATOM 89 CA ASP A 89 263.127 262.088 282.567 1.00 0.00 C +ATOM 90 CA SER A 90 259.669 260.910 283.650 1.00 0.00 C +ATOM 91 CA ASP A 91 258.166 257.684 282.290 1.00 0.00 C +ATOM 92 CA LEU A 92 257.193 254.027 281.850 1.00 0.00 C +ATOM 93 CA THR A 93 256.963 251.405 279.095 1.00 0.00 C +ATOM 94 CA THR A 94 255.691 247.833 279.467 1.00 0.00 C +ATOM 95 CA SER A 95 252.523 248.132 281.563 1.00 0.00 C +ATOM 96 CA THR A 96 251.386 244.692 282.743 1.00 0.00 C +ATOM 97 CA SER A 97 248.090 245.226 284.579 1.00 0.00 C +ATOM 98 CA SER A 98 245.206 242.737 284.542 1.00 0.00 C +ATOM 99 CA ASN A 99 244.939 239.864 282.054 1.00 0.00 C +ATOM 100 CA SER A 100 247.176 238.326 279.380 1.00 0.00 C +ATOM 101 CA ALA A 101 247.716 237.582 275.683 1.00 0.00 C +ATOM 102 CA ALA A 102 246.098 234.756 273.706 1.00 0.00 C +ATOM 103 CA SER A 103 243.010 233.168 275.274 1.00 0.00 C +ATOM 104 CA GLU A 104 241.378 231.948 278.493 1.00 0.00 C +ATOM 105 CA LEU A 105 242.258 233.114 282.012 1.00 0.00 C +ATOM 106 CA ALA A 106 243.953 234.315 285.206 1.00 0.00 C +ATOM 107 CA TRP A 107 244.080 232.656 288.633 1.00 0.00 C +ATOM 108 CA ASP A 108 245.312 230.777 291.710 1.00 0.00 C +ATOM 109 CA ASP A 109 247.223 232.161 294.702 1.00 0.00 C +ATOM 110 CA THR A 110 247.400 235.866 295.571 1.00 0.00 C +ATOM 111 CA SER A 111 243.945 237.473 295.526 1.00 0.00 C +ATOM 112 CA GLY A 112 242.805 241.084 295.110 1.00 0.00 C +ATOM 113 CA GLU A 113 242.831 244.672 293.829 1.00 0.00 C +ATOM 114 CA LEU A 114 244.848 245.909 290.843 1.00 0.00 C +ATOM 115 CA ARG A 115 246.387 249.284 291.714 1.00 0.00 C +ATOM 116 CA SER A 116 248.387 251.060 289.001 1.00 0.00 C +ATOM 117 CA LYS A 117 247.534 254.477 287.549 1.00 0.00 C +ATOM 118 CA ARG A 118 248.432 257.776 285.867 1.00 0.00 C +ATOM 119 CA PRO A 119 250.281 259.555 283.050 1.00 0.00 C +ATOM 120 CA ASP A 120 248.156 259.100 279.921 1.00 0.00 C +ATOM 121 CA GLU A 121 246.185 261.808 278.105 1.00 0.00 C +ATOM 122 CA LEU A 122 242.666 262.212 279.508 1.00 0.00 C +ATOM 123 CA HIS A 123 239.099 262.137 280.844 1.00 0.00 C +ATOM 124 CA ASN A 124 235.632 261.454 279.418 1.00 0.00 C +ATOM 125 CA THR A 125 234.003 263.596 276.721 1.00 0.00 C +ATOM 126 CA PRO A 126 231.278 264.581 274.247 1.00 0.00 C +ATOM 127 CA ARG A 127 231.452 262.174 271.299 1.00 0.00 C +ATOM 128 CA GLY A 128 233.527 260.409 268.635 1.00 0.00 C +ATOM 129 CA TYR A 129 234.732 256.894 267.793 1.00 0.00 C +ATOM 130 CA GLU A 130 238.498 256.448 267.428 1.00 0.00 C +ATOM 131 CA ARG A 131 239.192 256.051 263.703 1.00 0.00 C +ATOM 132 CA SER A 132 239.535 255.211 260.003 1.00 0.00 C +ATOM 133 CA GLN A 133 240.499 257.348 256.999 1.00 0.00 C +ATOM 134 CA ARG A 134 238.136 258.515 254.247 1.00 0.00 C +ATOM 135 CA TYR A 135 237.460 262.051 253.001 1.00 0.00 C +ATOM 136 CA SER A 136 240.018 262.973 250.333 1.00 0.00 C +ATOM 137 CA LYS A 137 242.397 264.153 247.601 1.00 0.00 C +ATOM 138 CA ASP A 138 241.720 265.154 243.988 1.00 0.00 C +ATOM 139 CA SER A 139 239.684 267.600 241.893 1.00 0.00 C +ATOM 140 CA THR A 140 239.040 268.378 238.219 1.00 0.00 C +ATOM 141 CA THR A 141 239.156 270.000 234.773 1.00 0.00 C +ATOM 142 CA SER A 142 237.845 271.866 231.721 1.00 0.00 C +ATOM 143 CA SER A 143 237.612 270.577 228.144 1.00 0.00 C +ATOM 144 CA ASN A 144 235.549 271.027 224.972 1.00 0.00 C +ATOM 145 CA PRO A 145 232.873 273.175 223.317 1.00 0.00 C +ATOM 146 CA ALA A 146 229.789 271.933 221.456 1.00 0.00 C +ATOM 147 CA ARG A 147 230.553 271.197 217.797 1.00 0.00 C +ATOM 148 CA SER A 148 233.668 269.280 216.727 1.00 0.00 C +ATOM 149 CA ALA A 149 233.187 265.997 214.855 1.00 0.00 C +ATOM 150 CA THR A 150 229.954 264.163 214.019 1.00 0.00 C +ATOM 151 CA SER A 151 230.542 262.141 210.843 1.00 0.00 C +ATOM 152 CA SER A 152 233.921 260.673 209.872 1.00 0.00 C +ATOM 153 CA SER A 153 237.387 260.506 208.298 1.00 0.00 C +ATOM 154 CA THR A 154 237.903 263.201 205.655 1.00 0.00 C +ATOM 155 CA ALA A 155 240.650 263.917 203.114 1.00 0.00 C +ATOM 156 CA GLY A 156 243.773 262.198 204.460 1.00 0.00 C +ATOM 157 CA GLY A 157 246.811 261.579 202.246 1.00 0.00 C +ATOM 158 CA ALA A 158 250.098 262.247 204.053 1.00 0.00 C +ATOM 159 CA GLY A 159 252.517 262.633 206.971 1.00 0.00 C +ATOM 160 CA SER A 160 252.850 264.480 210.286 1.00 0.00 C +ATOM 161 CA ALA A 161 252.891 268.265 209.858 1.00 0.00 C +ATOM 162 CA GLY A 162 253.044 269.103 206.144 1.00 0.00 C +ATOM 163 CA SER A 163 251.300 270.560 203.086 1.00 0.00 C +ATOM 164 CA SER A 164 249.260 268.822 200.378 1.00 0.00 C +ATOM 165 CA SER A 165 245.985 269.839 198.718 1.00 0.00 C +ATOM 166 CA SER A 166 243.507 268.224 196.317 1.00 0.00 C +ATOM 167 CA LYS A 167 239.973 269.480 195.645 1.00 0.00 C +ATOM 168 CA THR A 168 237.609 270.366 192.791 1.00 0.00 C +ATOM 169 CA ALA A 169 235.919 269.448 189.503 1.00 0.00 C +ATOM 170 CA VAL A 170 235.574 265.907 188.138 1.00 0.00 C +ATOM 171 CA ALA A 171 232.517 265.516 185.897 1.00 0.00 C +ATOM 172 CA ALA A 172 232.196 263.738 182.543 1.00 0.00 C +ATOM 173 CA PRO A 173 231.367 263.063 178.886 1.00 0.00 C +ATOM 174 CA GLY A 174 232.020 260.282 176.365 1.00 0.00 C +ATOM 175 CA SER A 175 235.755 259.541 176.263 1.00 0.00 C +ATOM 176 CA SER A 176 237.980 262.612 176.630 1.00 0.00 C +ATOM 177 CA LEU A 177 241.515 261.249 176.221 1.00 0.00 C +ATOM 178 CA SER A 178 244.444 263.318 177.507 1.00 0.00 C +ATOM 179 CA GLY A 179 246.302 266.411 176.283 1.00 0.00 C +ATOM 180 CA ALA A 180 243.587 269.002 175.624 1.00 0.00 C +ATOM 181 CA SER A 181 241.978 272.404 176.218 1.00 0.00 C +ATOM 182 CA SER A 182 242.554 275.963 177.451 1.00 0.00 C +ATOM 183 CA THR A 183 244.177 278.713 175.374 1.00 0.00 C +ATOM 184 CA SER A 184 243.332 282.168 176.740 1.00 0.00 C +ATOM 185 CA THR A 185 245.537 283.786 179.392 1.00 0.00 C +ATOM 186 CA SER A 186 246.739 284.054 182.998 1.00 0.00 C +ATOM 187 CA ARG A 187 245.515 282.994 186.446 1.00 0.00 C +ATOM 188 CA PRO A 188 244.173 279.461 186.929 1.00 0.00 C +ATOM 189 CA PHE A 189 244.389 277.029 189.854 1.00 0.00 C +ATOM 190 CA ILE A 190 247.938 275.756 190.403 1.00 0.00 C +ATOM 191 CA ALA A 191 247.836 272.022 189.656 1.00 0.00 C +ATOM 192 CA GLU A 192 244.617 270.294 188.574 1.00 0.00 C +ATOM 193 CA LEU A 193 243.689 268.014 185.667 1.00 0.00 C +ATOM 194 CA PRO A 194 245.323 265.386 183.444 1.00 0.00 C +ATOM 195 CA GLY A 195 247.537 262.684 184.966 1.00 0.00 C +ATOM 196 CA SER A 196 247.893 259.083 186.159 1.00 0.00 C +ATOM 197 CA GLU A 197 249.770 255.904 185.220 1.00 0.00 C +ATOM 198 CA PRO A 198 247.659 253.214 183.540 1.00 0.00 C +ATOM 199 CA GLN A 199 249.339 251.109 180.845 1.00 0.00 C +ATOM 200 CA PRO A 200 249.206 251.296 177.042 1.00 0.00 C +ATOM 201 CA PRO A 201 249.797 253.639 174.096 1.00 0.00 C +ATOM 202 CA SER A 202 252.599 255.990 173.029 1.00 0.00 C +ATOM 203 CA LEU A 203 253.264 259.736 172.823 1.00 0.00 C +ATOM 204 CA SER A 204 250.273 262.095 172.753 1.00 0.00 C +ATOM 205 CA SER A 205 248.611 262.680 169.374 1.00 0.00 C +ATOM 206 CA HIS A 206 249.731 261.381 165.972 1.00 0.00 C +ATOM 207 CA ARG A 207 252.621 258.908 165.755 1.00 0.00 C +ATOM 208 CA PRO A 208 255.066 256.272 164.495 1.00 0.00 C +ATOM 209 CA PRO A 209 255.548 253.588 161.834 1.00 0.00 C +ATOM 210 CA PRO A 210 258.906 253.471 160.038 1.00 0.00 C +ATOM 211 CA LEU A 211 261.329 255.403 157.821 1.00 0.00 C +ATOM 212 CA GLN A 212 262.263 259.066 157.342 1.00 0.00 C +ATOM 213 CA ARG A 213 260.776 261.614 159.753 1.00 0.00 C +ATOM 214 CA LEU A 214 259.509 264.925 161.149 1.00 0.00 C +ATOM 215 CA GLN A 215 257.748 267.522 158.988 1.00 0.00 C +ATOM 216 CA PRO A 216 254.980 269.484 160.720 1.00 0.00 C +ATOM 217 CA GLN A 217 254.938 269.219 164.520 1.00 0.00 C +ATOM 218 CA GLN A 218 252.534 270.444 167.210 1.00 0.00 C +ATOM 219 CA GLN A 219 250.835 271.192 170.537 1.00 0.00 C +ATOM 220 CA GLN A 220 248.929 274.172 171.952 1.00 0.00 C +ATOM 221 CA HIS A 221 249.334 275.410 175.532 1.00 0.00 C +TER 222 HIS A 221 +END diff --git a/Fungi/A0A3M7DED1/A0A3M7DED1.dcd b/Fungi/A0A3M7DED1/A0A3M7DED1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e5902f9a9e187c2470c49c417fb0da835b4acb21 --- /dev/null +++ b/Fungi/A0A3M7DED1/A0A3M7DED1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:20fc8bf366a6652d11ca46f3cb18a81e6b8bdb1386a9201696eb9cbfe727c2aa +size 47100276 diff --git a/Fungi/A0A3M7DED1/top.pdb b/Fungi/A0A3M7DED1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d65161783f0eebfa8e580fbfdf803969a005380a --- /dev/null +++ b/Fungi/A0A3M7DED1/top.pdb @@ -0,0 +1,259 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 302.040 243.300 172.779 1.00 0.00 C +ATOM 2 CA SER A 2 300.213 246.246 171.198 1.00 0.00 C +ATOM 3 CA ASN A 3 299.751 245.223 167.557 1.00 0.00 C +ATOM 4 CA LYS A 4 297.377 243.178 165.389 1.00 0.00 C +ATOM 5 CA ILE A 5 298.752 240.677 162.866 1.00 0.00 C +ATOM 6 CA PRO A 6 295.925 239.239 160.754 1.00 0.00 C +ATOM 7 CA ASP A 7 294.403 235.955 161.943 1.00 0.00 C +ATOM 8 CA ALA A 8 293.819 234.922 165.564 1.00 0.00 C +ATOM 9 CA TRP A 9 294.301 232.996 168.816 1.00 0.00 C +ATOM 10 CA ASP A 10 294.259 234.386 172.363 1.00 0.00 C +ATOM 11 CA ASP A 11 297.298 233.029 174.218 1.00 0.00 C +ATOM 12 CA ASP A 12 297.963 232.912 177.968 1.00 0.00 C +ATOM 13 CA TRP A 13 298.228 230.088 180.512 1.00 0.00 C +ATOM 14 CA VAL A 14 300.084 230.599 183.801 1.00 0.00 C +ATOM 15 CA ASN A 15 303.066 230.735 186.167 1.00 0.00 C +ATOM 16 CA VAL A 16 304.518 234.216 186.707 1.00 0.00 C +ATOM 17 CA ALA A 17 306.361 237.466 185.958 1.00 0.00 C +ATOM 18 CA ASP A 18 307.729 240.676 187.486 1.00 0.00 C +ATOM 19 CA SER A 19 305.407 243.664 187.930 1.00 0.00 C +ATOM 20 CA GLN A 20 304.471 246.547 190.239 1.00 0.00 C +ATOM 21 CA GLU A 21 300.740 246.693 190.995 1.00 0.00 C +ATOM 22 CA ALA A 22 297.121 247.132 192.104 1.00 0.00 C +ATOM 23 CA LYS A 23 293.603 248.292 191.216 1.00 0.00 C +ATOM 24 CA ALA A 24 292.298 251.639 192.486 1.00 0.00 C +ATOM 25 CA PRO A 25 292.947 251.518 196.238 1.00 0.00 C +ATOM 26 CA GLN A 26 296.386 251.550 197.879 1.00 0.00 C +ATOM 27 CA PRO A 27 299.160 253.803 199.201 1.00 0.00 C +ATOM 28 CA ALA A 28 299.732 254.992 202.775 1.00 0.00 C +ATOM 29 CA PRO A 29 296.672 256.953 203.919 1.00 0.00 C +ATOM 30 CA LYS A 30 296.030 260.232 205.751 1.00 0.00 C +ATOM 31 CA LEU A 31 296.884 259.798 209.439 1.00 0.00 C +ATOM 32 CA SER A 32 295.180 257.597 212.040 1.00 0.00 C +ATOM 33 CA LYS A 33 292.231 255.651 213.465 1.00 0.00 C +ATOM 34 CA SER A 34 290.388 253.534 216.041 1.00 0.00 C +ATOM 35 CA GLU A 35 292.320 252.199 219.042 1.00 0.00 C +ATOM 36 CA ARG A 36 295.787 250.865 219.887 1.00 0.00 C +ATOM 37 CA ARG A 37 299.086 248.979 220.165 1.00 0.00 C +ATOM 38 CA GLN A 38 302.144 248.961 222.437 1.00 0.00 C +ATOM 39 CA GLN A 39 304.546 247.643 225.085 1.00 0.00 C +ATOM 40 CA HIS A 40 304.452 244.543 227.298 1.00 0.00 C +ATOM 41 CA ASN A 41 304.878 240.935 228.445 1.00 0.00 C +ATOM 42 CA GLU A 42 304.244 237.178 228.425 1.00 0.00 C +ATOM 43 CA PHE A 43 306.502 234.750 230.301 1.00 0.00 C +ATOM 44 CA GLN A 44 310.000 233.474 231.108 1.00 0.00 C +ATOM 45 CA LYS A 45 310.931 234.063 234.755 1.00 0.00 C +ATOM 46 CA GLN A 46 310.135 230.812 236.575 1.00 0.00 C +ATOM 47 CA LEU A 47 312.818 229.412 238.890 1.00 0.00 C +ATOM 48 CA TRP A 48 312.766 227.119 241.933 1.00 0.00 C +ATOM 49 CA ASN A 49 311.364 227.413 245.463 1.00 0.00 C +ATOM 50 CA SER A 50 313.264 224.982 247.697 1.00 0.00 C +ATOM 51 CA ALA A 51 316.946 224.696 246.759 1.00 0.00 C +ATOM 52 CA GLU A 52 319.764 224.166 249.267 1.00 0.00 C +ATOM 53 CA ASN A 53 321.381 220.814 250.081 1.00 0.00 C +ATOM 54 CA PRO A 54 322.350 217.643 248.204 1.00 0.00 C +ATOM 55 CA SER A 55 319.877 217.390 245.316 1.00 0.00 C +ATOM 56 CA ARG A 56 318.473 215.375 242.403 1.00 0.00 C +ATOM 57 CA ASN A 57 320.001 212.093 241.217 1.00 0.00 C +ATOM 58 CA HIS A 58 317.495 209.222 241.228 1.00 0.00 C +ATOM 59 CA PHE A 59 313.864 209.275 242.380 1.00 0.00 C +ATOM 60 CA LEU A 60 312.676 212.212 244.496 1.00 0.00 C +ATOM 61 CA GLU A 61 311.699 215.847 243.907 1.00 0.00 C +ATOM 62 CA SER A 62 308.532 216.319 241.841 1.00 0.00 C +ATOM 63 CA ARG A 63 306.397 217.856 239.085 1.00 0.00 C +ATOM 64 CA GLY A 64 305.415 221.298 237.779 1.00 0.00 C +ATOM 65 CA VAL A 65 304.770 224.664 239.442 1.00 0.00 C +ATOM 66 CA VAL A 66 303.168 226.513 242.363 1.00 0.00 C +ATOM 67 CA PRO A 67 301.927 229.915 243.545 1.00 0.00 C +ATOM 68 CA LEU A 68 299.396 229.684 246.384 1.00 0.00 C +ATOM 69 CA LYS A 69 298.282 233.180 247.408 1.00 0.00 C +ATOM 70 CA GLN A 70 294.842 234.048 246.017 1.00 0.00 C +ATOM 71 CA GLU A 71 294.815 237.571 244.567 1.00 0.00 C +ATOM 72 CA TYR A 72 294.120 241.115 243.352 1.00 0.00 C +ATOM 73 CA LYS A 73 292.444 242.865 246.293 1.00 0.00 C +ATOM 74 CA PRO A 74 289.440 241.154 247.893 1.00 0.00 C +ATOM 75 CA GLN A 75 286.564 238.662 248.080 1.00 0.00 C +ATOM 76 CA VAL A 76 284.202 236.497 250.141 1.00 0.00 C +ATOM 77 CA THR A 77 281.683 238.198 252.439 1.00 0.00 C +ATOM 78 CA LEU A 78 281.961 238.471 256.229 1.00 0.00 C +ATOM 79 CA LEU A 79 285.071 237.700 258.289 1.00 0.00 C +ATOM 80 CA SER A 80 288.306 235.804 257.612 1.00 0.00 C +ATOM 81 CA ARG A 81 292.054 235.188 257.312 1.00 0.00 C +ATOM 82 CA LYS A 82 294.378 233.254 259.630 1.00 0.00 C +ATOM 83 CA PRO A 83 296.119 235.952 261.681 1.00 0.00 C +ATOM 84 CA PRO A 84 296.986 236.583 265.337 1.00 0.00 C +ATOM 85 CA PRO A 85 300.117 234.505 265.969 1.00 0.00 C +ATOM 86 CA VAL A 86 302.067 232.047 268.130 1.00 0.00 C +ATOM 87 CA ILE A 87 301.290 231.620 271.835 1.00 0.00 C +ATOM 88 CA ALA A 88 298.911 231.957 274.792 1.00 0.00 C +ATOM 89 CA LYS A 89 297.804 231.634 278.423 1.00 0.00 C +ATOM 90 CA LYS A 90 298.228 228.284 280.188 1.00 0.00 C +ATOM 91 CA ASP A 91 301.129 227.882 282.624 1.00 0.00 C +ATOM 92 CA ALA A 92 301.414 227.624 286.415 1.00 0.00 C +ATOM 93 CA ALA A 93 298.650 229.844 287.812 1.00 0.00 C +ATOM 94 CA ASP A 94 295.454 231.588 286.689 1.00 0.00 C +ATOM 95 CA GLY A 95 293.123 231.851 283.687 1.00 0.00 C +ATOM 96 CA ILE A 96 290.194 234.260 283.321 1.00 0.00 C +ATOM 97 CA ASN A 97 287.803 236.619 285.119 1.00 0.00 C +ATOM 98 CA GLY A 98 284.740 238.046 283.360 1.00 0.00 C +ATOM 99 CA LEU A 99 281.288 236.456 283.622 1.00 0.00 C +ATOM 100 CA THR A 100 280.462 236.059 287.320 1.00 0.00 C +ATOM 101 CA LEU A 101 278.515 233.156 288.835 1.00 0.00 C +ATOM 102 CA ASP A 102 279.087 229.432 289.402 1.00 0.00 C +ATOM 103 CA ASP A 103 281.063 228.283 292.450 1.00 0.00 C +ATOM 104 CA GLY A 104 281.769 228.212 296.194 1.00 0.00 C +ATOM 105 CA ASP A 105 282.754 231.782 297.087 1.00 0.00 C +ATOM 106 CA ASP A 106 282.161 232.288 300.816 1.00 0.00 C +ATOM 107 CA SER A 107 281.281 235.868 301.775 1.00 0.00 C +ATOM 108 CA GLU A 108 278.323 237.277 299.830 1.00 0.00 C +ATOM 109 CA ASP A 109 276.496 234.413 298.106 1.00 0.00 C +ATOM 110 CA GLU A 110 272.802 234.760 297.238 1.00 0.00 C +ATOM 111 CA ALA A 111 270.410 235.303 294.323 1.00 0.00 C +ATOM 112 CA ARG A 112 266.661 234.657 294.532 1.00 0.00 C +ATOM 113 CA ARG A 113 264.537 231.908 296.096 1.00 0.00 C +ATOM 114 CA LYS A 114 261.093 231.464 297.662 1.00 0.00 C +ATOM 115 CA ARG A 115 260.603 232.646 301.251 1.00 0.00 C +ATOM 116 CA ASP A 116 262.703 231.513 304.221 1.00 0.00 C +ATOM 117 CA ALA A 117 265.440 228.863 304.272 1.00 0.00 C +ATOM 118 CA ASP A 118 264.182 225.325 304.922 1.00 0.00 C +ATOM 119 CA PHE A 119 261.066 224.624 302.845 1.00 0.00 C +ATOM 120 CA GLU A 120 262.029 224.246 299.178 1.00 0.00 C +ATOM 121 CA GLU A 121 260.744 223.887 295.610 1.00 0.00 C +ATOM 122 CA ARG A 122 257.886 221.522 294.741 1.00 0.00 C +ATOM 123 CA GLN A 123 255.163 221.879 297.382 1.00 0.00 C +ATOM 124 CA ARG A 124 252.220 224.146 296.536 1.00 0.00 C +ATOM 125 CA LYS A 125 251.291 225.812 293.239 1.00 0.00 C +ATOM 126 CA ALA A 126 249.979 226.080 289.672 1.00 0.00 C +ATOM 127 CA LYS A 127 252.744 226.502 287.085 1.00 0.00 C +ATOM 128 CA VAL A 128 251.152 228.170 284.052 1.00 0.00 C +ATOM 129 CA GLU A 129 248.292 230.324 285.355 1.00 0.00 C +ATOM 130 CA ARG A 130 245.954 233.311 285.713 1.00 0.00 C +ATOM 131 CA GLU A 131 242.598 235.109 285.562 1.00 0.00 C +ATOM 132 CA GLU A 132 240.292 232.759 283.643 1.00 0.00 C +ATOM 133 CA LYS A 133 237.130 234.702 282.781 1.00 0.00 C +ATOM 134 CA GLN A 134 233.556 233.424 283.107 1.00 0.00 C +ATOM 135 CA ARG A 135 233.054 232.498 286.769 1.00 0.00 C +ATOM 136 CA LYS A 136 234.636 235.057 289.106 1.00 0.00 C +ATOM 137 CA TYR A 137 235.521 238.638 290.059 1.00 0.00 C +ATOM 138 CA ALA A 138 235.996 241.022 292.993 1.00 0.00 C +ATOM 139 CA GLU A 139 238.465 240.502 295.848 1.00 0.00 C +ATOM 140 CA ALA A 140 238.293 242.808 298.876 1.00 0.00 C +ATOM 141 CA ARG A 141 240.275 244.667 301.547 1.00 0.00 C +ATOM 142 CA GLU A 142 242.109 244.584 304.885 1.00 0.00 C +ATOM 143 CA ARG A 143 242.244 246.873 307.928 1.00 0.00 C +ATOM 144 CA ILE A 144 239.285 247.493 310.246 1.00 0.00 C +ATOM 145 CA MET A 145 237.800 250.799 311.421 1.00 0.00 C +ATOM 146 CA GLY A 146 237.190 252.832 308.256 1.00 0.00 C +ATOM 147 CA SER A 147 234.260 252.947 305.824 1.00 0.00 C +ATOM 148 CA SER A 148 232.069 250.014 304.770 1.00 0.00 C +ATOM 149 CA VAL A 149 229.284 247.843 306.199 1.00 0.00 C +ATOM 150 CA PRO A 150 225.715 246.815 307.048 1.00 0.00 C +ATOM 151 CA GLY A 151 222.225 248.255 306.534 1.00 0.00 C +ATOM 152 CA THR A 152 221.207 249.956 303.281 1.00 0.00 C +ATOM 153 CA PRO A 153 222.551 253.372 302.258 1.00 0.00 C +ATOM 154 CA ALA A 154 223.967 256.805 301.406 1.00 0.00 C +ATOM 155 CA VAL A 155 225.224 258.744 298.377 1.00 0.00 C +ATOM 156 CA GLY A 156 228.229 257.188 296.626 1.00 0.00 C +ATOM 157 CA SER A 157 231.354 256.558 298.712 1.00 0.00 C +ATOM 158 CA ARG A 158 231.981 259.659 300.835 1.00 0.00 C +ATOM 159 CA GLU A 159 232.834 263.080 299.391 1.00 0.00 C +ATOM 160 CA SER A 160 235.662 263.236 296.843 1.00 0.00 C +ATOM 161 CA SER A 161 236.379 259.770 295.433 1.00 0.00 C +ATOM 162 CA GLN A 162 234.549 257.172 293.331 1.00 0.00 C +ATOM 163 CA GLY A 163 235.821 253.583 293.200 1.00 0.00 C +ATOM 164 CA ARG A 164 237.064 252.024 289.954 1.00 0.00 C +ATOM 165 CA ASN A 165 237.818 254.518 287.174 1.00 0.00 C +ATOM 166 CA ASP A 166 238.372 256.683 284.088 1.00 0.00 C +ATOM 167 CA ASN A 167 236.897 259.961 282.825 1.00 0.00 C +ATOM 168 CA ARG A 168 233.390 259.219 281.536 1.00 0.00 C +ATOM 169 CA ARG A 169 230.337 260.648 279.761 1.00 0.00 C +ATOM 170 CA ARG A 170 226.718 261.756 279.322 1.00 0.00 C +ATOM 171 CA GLY A 171 225.336 261.279 275.804 1.00 0.00 C +ATOM 172 CA ARG A 172 226.334 263.024 272.567 1.00 0.00 C +ATOM 173 CA GLY A 173 225.550 266.259 270.714 1.00 0.00 C +ATOM 174 CA GLY A 174 226.258 269.997 270.512 1.00 0.00 C +ATOM 175 CA GLY A 175 224.031 273.042 269.980 1.00 0.00 C +ATOM 176 CA GLY A 176 220.404 272.936 271.143 1.00 0.00 C +ATOM 177 CA PRO A 177 217.426 274.633 269.479 1.00 0.00 C +ATOM 178 CA LYS A 178 214.986 275.336 266.639 1.00 0.00 C +ATOM 179 CA THR A 179 213.056 276.563 263.591 1.00 0.00 C +ATOM 180 CA SER A 180 209.933 278.392 264.782 1.00 0.00 C +ATOM 181 CA ARG A 181 206.732 280.044 263.542 1.00 0.00 C +ATOM 182 CA PRO A 182 203.522 277.992 263.625 1.00 0.00 C +ATOM 183 CA THR A 183 201.399 275.218 262.106 1.00 0.00 C +ATOM 184 CA SER A 184 200.870 271.510 261.406 1.00 0.00 C +ATOM 185 CA ALA A 185 198.620 269.781 258.864 1.00 0.00 C +ATOM 186 CA ASP A 186 198.247 266.200 257.616 1.00 0.00 C +ATOM 187 CA GLN A 187 200.734 263.413 256.867 1.00 0.00 C +ATOM 188 CA SER A 188 204.291 264.526 256.078 1.00 0.00 C +ATOM 189 CA PRO A 189 207.995 264.150 255.266 1.00 0.00 C +ATOM 190 CA LYS A 190 209.337 264.265 251.702 1.00 0.00 C +ATOM 191 CA ALA A 191 208.939 263.276 248.045 1.00 0.00 C +ATOM 192 CA PRO A 192 206.217 261.213 246.356 1.00 0.00 C +ATOM 193 CA GLY A 193 203.489 263.220 244.612 1.00 0.00 C +ATOM 194 CA SER A 194 200.145 262.365 246.225 1.00 0.00 C +ATOM 195 CA PRO A 195 196.499 261.428 246.813 1.00 0.00 C +ATOM 196 CA ALA A 196 193.801 264.085 246.394 1.00 0.00 C +ATOM 197 CA PHE A 197 191.707 266.999 247.674 1.00 0.00 C +ATOM 198 CA GLY A 198 192.736 270.601 248.369 1.00 0.00 C +ATOM 199 CA PRO A 199 193.472 272.279 251.709 1.00 0.00 C +ATOM 200 CA THR A 200 191.753 275.498 252.803 1.00 0.00 C +ATOM 201 CA ALA A 201 191.515 276.015 256.570 1.00 0.00 C +ATOM 202 CA SER A 202 190.829 273.403 259.258 1.00 0.00 C +ATOM 203 CA THR A 203 190.454 269.795 258.094 1.00 0.00 C +ATOM 204 CA GLY A 204 188.500 268.956 254.933 1.00 0.00 C +ATOM 205 CA PRO A 205 185.248 268.835 252.951 1.00 0.00 C +ATOM 206 CA GLY A 206 183.512 269.812 249.703 1.00 0.00 C +ATOM 207 CA GLN A 207 183.182 269.580 245.915 1.00 0.00 C +ATOM 208 CA LEU A 208 185.399 271.461 243.452 1.00 0.00 C +ATOM 209 CA TYR A 209 186.668 273.235 240.329 1.00 0.00 C +ATOM 210 CA ASP A 210 185.716 272.999 236.647 1.00 0.00 C +ATOM 211 CA PRO A 211 185.385 271.738 233.067 1.00 0.00 C +ATOM 212 CA GLU A 212 187.545 270.662 230.119 1.00 0.00 C +ATOM 213 CA ASP A 213 185.418 269.112 227.363 1.00 0.00 C +ATOM 214 CA MET A 214 182.988 268.357 224.527 1.00 0.00 C +ATOM 215 CA GLY A 215 181.702 271.732 223.314 1.00 0.00 C +ATOM 216 CA ARG A 216 184.472 274.346 223.197 1.00 0.00 C +ATOM 217 CA ARG A 217 186.952 273.100 220.587 1.00 0.00 C +ATOM 218 CA ILE A 218 186.667 271.049 217.389 1.00 0.00 C +ATOM 219 CA SER A 219 184.714 267.795 217.735 1.00 0.00 C +ATOM 220 CA LYS A 220 182.123 266.998 215.059 1.00 0.00 C +ATOM 221 CA PRO A 221 178.995 265.417 216.551 1.00 0.00 C +ATOM 222 CA SER A 222 176.637 268.277 217.432 1.00 0.00 C +ATOM 223 CA THR A 223 174.297 270.573 215.491 1.00 0.00 C +ATOM 224 CA PRO A 224 176.364 272.544 212.969 1.00 0.00 C +ATOM 225 CA ASN A 225 178.763 271.832 210.096 1.00 0.00 C +ATOM 226 CA GLN A 226 182.444 272.158 209.166 1.00 0.00 C +ATOM 227 CA ASP A 227 184.020 269.775 206.645 1.00 0.00 C +ATOM 228 CA GLY A 228 181.241 268.173 204.588 1.00 0.00 C +ATOM 229 CA PRO A 229 180.597 264.729 203.092 1.00 0.00 C +ATOM 230 CA SER A 230 180.741 262.118 205.863 1.00 0.00 C +ATOM 231 CA ARG A 231 181.804 261.818 209.509 1.00 0.00 C +ATOM 232 CA GLN A 232 183.389 258.695 211.010 1.00 0.00 C +ATOM 233 CA PRO A 233 187.102 257.884 211.271 1.00 0.00 C +ATOM 234 CA LYS A 234 189.490 260.851 211.379 1.00 0.00 C +ATOM 235 CA GLY A 235 191.209 264.210 211.909 1.00 0.00 C +ATOM 236 CA PRO A 236 192.615 266.960 214.140 1.00 0.00 C +ATOM 237 CA ASP A 237 193.724 270.560 213.572 1.00 0.00 C +ATOM 238 CA GLY A 238 191.903 273.905 213.462 1.00 0.00 C +ATOM 239 CA THR A 239 192.773 276.924 215.617 1.00 0.00 C +ATOM 240 CA GLY A 240 193.941 278.185 219.017 1.00 0.00 C +ATOM 241 CA ARG A 241 192.452 281.475 220.234 1.00 0.00 C +ATOM 242 CA GLY A 242 190.383 283.350 217.642 1.00 0.00 C +ATOM 243 CA GLY A 243 191.906 286.804 217.127 1.00 0.00 C +ATOM 244 CA PHE A 244 192.635 290.151 218.795 1.00 0.00 C +ATOM 245 CA GLY A 245 190.592 292.192 221.280 1.00 0.00 C +ATOM 246 CA PHE A 246 188.403 294.624 223.232 1.00 0.00 C +ATOM 247 CA ALA A 247 184.838 295.547 224.212 1.00 0.00 C +ATOM 248 CA ALA A 248 181.860 294.816 226.472 1.00 0.00 C +ATOM 249 CA ARG A 249 181.186 296.390 229.876 1.00 0.00 C +ATOM 250 CA GLY A 250 182.355 299.105 232.279 1.00 0.00 C +ATOM 251 CA GLY A 251 183.292 302.715 233.057 1.00 0.00 C +ATOM 252 CA ARG A 252 186.456 303.687 231.170 1.00 0.00 C +ATOM 253 CA GLY A 253 186.430 306.884 229.098 1.00 0.00 C +ATOM 254 CA ALA A 254 182.830 308.017 228.572 1.00 0.00 C +ATOM 255 CA GLY A 255 180.133 308.652 225.957 1.00 0.00 C +TER 256 GLY A 255 +END diff --git a/Fungi/A0A3M7DIG3/A0A3M7DIG3.dcd b/Fungi/A0A3M7DIG3/A0A3M7DIG3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..64ca266f26d2ecb0a9905ea55b22be3055514798 --- /dev/null +++ b/Fungi/A0A3M7DIG3/A0A3M7DIG3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:47669b7622773670495d9d45888bad6f561aab7c8b5715c933c61c5aa1abe3d5 +size 38280276 diff --git a/Fungi/A0A3M7DIG3/top.pdb b/Fungi/A0A3M7DIG3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2554577bf2c5d07d69f96c5d3041443913d3e6c8 --- /dev/null +++ b/Fungi/A0A3M7DIG3/top.pdb @@ -0,0 +1,210 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 256.862 227.718 262.343 1.00 0.00 C +ATOM 2 CA ASP A 2 256.787 224.345 260.573 1.00 0.00 C +ATOM 3 CA ARG A 3 257.936 221.102 258.935 1.00 0.00 C +ATOM 4 CA GLN A 4 258.439 220.772 255.173 1.00 0.00 C +ATOM 5 CA GLN A 5 260.215 217.506 254.342 1.00 0.00 C +ATOM 6 CA LYS A 6 258.192 214.278 254.377 1.00 0.00 C +ATOM 7 CA HIS A 7 254.963 214.509 256.386 1.00 0.00 C +ATOM 8 CA PRO A 8 252.051 216.673 257.548 1.00 0.00 C +ATOM 9 CA GLU A 9 251.007 217.037 261.194 1.00 0.00 C +ATOM 10 CA PRO A 10 250.543 218.179 264.800 1.00 0.00 C +ATOM 11 CA SER A 11 249.063 217.016 268.112 1.00 0.00 C +ATOM 12 CA GLY A 12 248.030 218.938 271.235 1.00 0.00 C +ATOM 13 CA SER A 13 249.028 222.612 271.091 1.00 0.00 C +ATOM 14 CA GLN A 14 251.394 225.598 271.031 1.00 0.00 C +ATOM 15 CA THR A 15 252.133 228.363 268.516 1.00 0.00 C +ATOM 16 CA PRO A 16 249.842 229.024 265.544 1.00 0.00 C +ATOM 17 CA GLY A 17 248.307 225.924 263.946 1.00 0.00 C +ATOM 18 CA TRP A 18 244.689 225.432 262.859 1.00 0.00 C +ATOM 19 CA ARG A 19 243.204 228.659 261.481 1.00 0.00 C +ATOM 20 CA LYS A 20 239.463 228.236 260.899 1.00 0.00 C +ATOM 21 CA THR A 21 236.255 227.552 258.960 1.00 0.00 C +ATOM 22 CA HIS A 22 234.284 228.433 255.821 1.00 0.00 C +ATOM 23 CA SER A 23 230.801 229.673 254.901 1.00 0.00 C +ATOM 24 CA PRO A 24 228.728 232.481 256.429 1.00 0.00 C +ATOM 25 CA HIS A 25 226.681 235.632 255.802 1.00 0.00 C +ATOM 26 CA SER A 26 224.060 237.161 253.497 1.00 0.00 C +ATOM 27 CA THR A 27 220.709 235.657 252.486 1.00 0.00 C +ATOM 28 CA THR A 28 219.329 232.195 251.695 1.00 0.00 C +ATOM 29 CA PRO A 29 219.559 229.318 254.183 1.00 0.00 C +ATOM 30 CA HIS A 30 218.860 227.933 257.663 1.00 0.00 C +ATOM 31 CA ASN A 31 219.708 224.237 258.031 1.00 0.00 C +ATOM 32 CA THR A 32 222.797 223.504 255.924 1.00 0.00 C +ATOM 33 CA GLU A 33 225.800 221.278 255.186 1.00 0.00 C +ATOM 34 CA ALA A 34 226.566 221.640 251.472 1.00 0.00 C +ATOM 35 CA ASN A 35 226.020 219.969 248.091 1.00 0.00 C +ATOM 36 CA ASN A 36 225.674 219.860 244.299 1.00 0.00 C +ATOM 37 CA ALA A 37 222.274 221.147 243.161 1.00 0.00 C +ATOM 38 CA THR A 38 220.044 221.433 240.085 1.00 0.00 C +ATOM 39 CA LEU A 39 221.830 223.550 237.469 1.00 0.00 C +ATOM 40 CA ARG A 40 223.444 226.277 235.354 1.00 0.00 C +ATOM 41 CA GLN A 41 225.053 229.124 233.398 1.00 0.00 C +ATOM 42 CA SER A 42 226.054 231.384 230.499 1.00 0.00 C +ATOM 43 CA ASN A 43 227.940 231.479 227.190 1.00 0.00 C +ATOM 44 CA GLU A 44 226.421 234.297 225.123 1.00 0.00 C +ATOM 45 CA ARG A 45 227.354 237.739 226.464 1.00 0.00 C +ATOM 46 CA THR A 46 225.195 239.312 229.181 1.00 0.00 C +ATOM 47 CA HIS A 47 222.321 237.830 231.195 1.00 0.00 C +ATOM 48 CA THR A 48 219.278 237.707 228.905 1.00 0.00 C +ATOM 49 CA SER A 49 219.278 236.886 225.185 1.00 0.00 C +ATOM 50 CA GLN A 50 220.022 234.154 222.636 1.00 0.00 C +ATOM 51 CA PRO A 51 221.712 232.188 219.844 1.00 0.00 C +ATOM 52 CA ALA A 52 225.100 230.505 219.392 1.00 0.00 C +ATOM 53 CA GLN A 53 227.268 228.598 216.907 1.00 0.00 C +ATOM 54 CA SER A 54 230.697 226.946 216.735 1.00 0.00 C +ATOM 55 CA GLY A 55 231.918 224.505 219.393 1.00 0.00 C +ATOM 56 CA ARG A 56 235.607 223.826 220.063 1.00 0.00 C +ATOM 57 CA GLY A 57 238.829 225.664 220.929 1.00 0.00 C +ATOM 58 CA ALA A 58 238.126 228.120 223.756 1.00 0.00 C +ATOM 59 CA ALA A 59 236.887 231.438 225.160 1.00 0.00 C +ATOM 60 CA ASN A 60 237.855 232.942 228.525 1.00 0.00 C +ATOM 61 CA THR A 61 240.207 232.329 231.459 1.00 0.00 C +ATOM 62 CA ALA A 62 239.349 229.831 234.205 1.00 0.00 C +ATOM 63 CA HIS A 63 237.425 229.512 237.478 1.00 0.00 C +ATOM 64 CA PRO A 64 233.699 229.522 238.273 1.00 0.00 C +ATOM 65 CA PHE A 65 231.025 232.053 239.251 1.00 0.00 C +ATOM 66 CA ALA A 66 229.079 233.285 236.216 1.00 0.00 C +ATOM 67 CA PHE A 67 225.583 234.750 236.604 1.00 0.00 C +ATOM 68 CA ILE A 68 224.369 234.374 240.196 1.00 0.00 C +ATOM 69 CA MET A 69 224.180 232.983 243.738 1.00 0.00 C +ATOM 70 CA TYR A 70 223.996 231.698 247.320 1.00 0.00 C +ATOM 71 CA GLY A 71 227.255 230.650 248.993 1.00 0.00 C +ATOM 72 CA ALA A 72 230.174 229.574 246.795 1.00 0.00 C +ATOM 73 CA PRO A 73 231.646 227.355 244.070 1.00 0.00 C +ATOM 74 CA SER A 74 232.499 223.722 243.300 1.00 0.00 C +ATOM 75 CA ASP A 75 234.574 222.090 240.553 1.00 0.00 C +ATOM 76 CA SER A 76 237.655 222.261 238.318 1.00 0.00 C +ATOM 77 CA THR A 77 237.720 219.481 235.713 1.00 0.00 C +ATOM 78 CA THR A 78 239.862 217.673 233.133 1.00 0.00 C +ATOM 79 CA GLN A 79 241.860 214.515 232.389 1.00 0.00 C +ATOM 80 CA ALA A 80 245.661 214.400 232.636 1.00 0.00 C +ATOM 81 CA ARG A 81 248.036 213.478 235.469 1.00 0.00 C +ATOM 82 CA LYS A 82 248.964 216.512 237.578 1.00 0.00 C +ATOM 83 CA ARG A 83 249.838 220.060 238.655 1.00 0.00 C +ATOM 84 CA GLU A 84 249.596 223.570 240.117 1.00 0.00 C +ATOM 85 CA VAL A 85 251.100 227.060 239.837 1.00 0.00 C +ATOM 86 CA ARG A 86 250.045 230.438 238.426 1.00 0.00 C +ATOM 87 CA SER A 87 250.145 233.745 240.316 1.00 0.00 C +ATOM 88 CA GLU A 88 250.663 236.654 242.721 1.00 0.00 C +ATOM 89 CA ALA A 89 251.421 239.732 240.607 1.00 0.00 C +ATOM 90 CA ALA A 90 248.553 242.043 239.635 1.00 0.00 C +ATOM 91 CA LYS A 91 247.469 245.166 237.740 1.00 0.00 C +ATOM 92 CA ARG A 92 244.218 245.215 235.755 1.00 0.00 C +ATOM 93 CA SER A 93 244.693 245.742 232.012 1.00 0.00 C +ATOM 94 CA ALA A 94 246.643 246.260 228.780 1.00 0.00 C +ATOM 95 CA GLU A 95 249.310 248.976 228.606 1.00 0.00 C +ATOM 96 CA ARG A 96 251.173 249.818 225.391 1.00 0.00 C +ATOM 97 CA ARG A 97 250.209 253.004 223.538 1.00 0.00 C +ATOM 98 CA ARG A 98 248.914 252.829 219.959 1.00 0.00 C +ATOM 99 CA ASN A 99 248.165 256.278 218.522 1.00 0.00 C +ATOM 100 CA THR A 100 248.312 260.085 218.507 1.00 0.00 C +ATOM 101 CA MET A 101 250.485 263.070 219.446 1.00 0.00 C +ATOM 102 CA GLU A 102 253.681 262.599 217.427 1.00 0.00 C +ATOM 103 CA GLN A 103 256.719 263.267 219.627 1.00 0.00 C +ATOM 104 CA ARG A 104 258.486 261.340 222.398 1.00 0.00 C +ATOM 105 CA ARG A 105 261.814 261.254 224.251 1.00 0.00 C +ATOM 106 CA SER A 106 264.044 258.934 222.211 1.00 0.00 C +ATOM 107 CA GLU A 107 266.554 257.356 224.604 1.00 0.00 C +ATOM 108 CA GLN A 108 267.867 257.199 228.177 1.00 0.00 C +ATOM 109 CA ARG A 109 265.191 258.218 230.690 1.00 0.00 C +ATOM 110 CA GLY A 110 264.044 259.857 233.933 1.00 0.00 C +ATOM 111 CA ARG A 111 261.762 260.785 236.840 1.00 0.00 C +ATOM 112 CA ARG A 112 260.245 263.050 239.502 1.00 0.00 C +ATOM 113 CA ASP A 113 257.691 262.050 242.146 1.00 0.00 C +ATOM 114 CA THR A 114 256.697 258.467 242.973 1.00 0.00 C +ATOM 115 CA SER A 115 254.207 255.583 242.911 1.00 0.00 C +ATOM 116 CA VAL A 116 253.371 253.069 240.173 1.00 0.00 C +ATOM 117 CA ARG A 117 252.442 253.225 236.481 1.00 0.00 C +ATOM 118 CA ARG A 118 251.773 253.527 232.743 1.00 0.00 C +ATOM 119 CA LYS A 119 254.427 255.875 231.343 1.00 0.00 C +ATOM 120 CA LYS A 120 254.440 255.641 227.540 1.00 0.00 C +ATOM 121 CA VAL A 121 256.801 255.522 224.552 1.00 0.00 C +ATOM 122 CA GLU A 122 259.931 253.406 224.064 1.00 0.00 C +ATOM 123 CA ALA A 123 260.797 252.121 227.544 1.00 0.00 C +ATOM 124 CA SER A 124 263.310 251.529 230.345 1.00 0.00 C +ATOM 125 CA ARG A 125 265.161 251.204 233.660 1.00 0.00 C +ATOM 126 CA GLN A 126 264.193 249.002 236.614 1.00 0.00 C +ATOM 127 CA ALA A 127 265.115 251.080 239.672 1.00 0.00 C +ATOM 128 CA SER A 128 263.847 251.044 243.264 1.00 0.00 C +ATOM 129 CA SER A 129 265.618 253.886 245.082 1.00 0.00 C +ATOM 130 CA PRO A 130 266.274 257.439 243.873 1.00 0.00 C +ATOM 131 CA ALA A 131 269.881 258.321 244.725 1.00 0.00 C +ATOM 132 CA GLN A 132 270.338 262.048 245.369 1.00 0.00 C +ATOM 133 CA PRO A 133 267.642 264.721 245.051 1.00 0.00 C +ATOM 134 CA HIS A 134 264.214 263.141 244.528 1.00 0.00 C +ATOM 135 CA ALA A 135 261.444 265.388 245.867 1.00 0.00 C +ATOM 136 CA ALA A 136 259.269 266.166 248.897 1.00 0.00 C +ATOM 137 CA SER A 137 258.728 264.177 252.102 1.00 0.00 C +ATOM 138 CA THR A 138 257.910 264.031 255.820 1.00 0.00 C +ATOM 139 CA PRO A 139 258.276 261.445 258.594 1.00 0.00 C +ATOM 140 CA SER A 140 255.057 260.884 260.553 1.00 0.00 C +ATOM 141 CA VAL A 141 255.672 259.068 263.846 1.00 0.00 C +ATOM 142 CA SER A 142 259.319 258.213 264.538 1.00 0.00 C +ATOM 143 CA ARG A 143 261.894 256.896 262.057 1.00 0.00 C +ATOM 144 CA GLU A 144 265.133 255.140 261.088 1.00 0.00 C +ATOM 145 CA SER A 145 268.924 255.432 260.841 1.00 0.00 C +ATOM 146 CA SER A 146 270.189 259.016 260.575 1.00 0.00 C +ATOM 147 CA GLN A 147 268.976 261.914 262.730 1.00 0.00 C +ATOM 148 CA ASN A 148 267.460 262.871 266.092 1.00 0.00 C +ATOM 149 CA ASP A 149 266.166 266.068 267.710 1.00 0.00 C +ATOM 150 CA THR A 150 266.647 269.104 269.961 1.00 0.00 C +ATOM 151 CA GLY A 151 264.431 271.321 272.126 1.00 0.00 C +ATOM 152 CA GLU A 152 262.993 274.820 271.668 1.00 0.00 C +ATOM 153 CA SER A 153 259.819 274.936 269.563 1.00 0.00 C +ATOM 154 CA ALA A 154 260.447 276.792 266.296 1.00 0.00 C +ATOM 155 CA ARG A 155 260.374 277.890 262.648 1.00 0.00 C +ATOM 156 CA PRO A 156 259.024 281.442 262.372 1.00 0.00 C +ATOM 157 CA THR A 157 260.349 284.978 262.880 1.00 0.00 C +ATOM 158 CA SER A 158 260.946 287.303 265.839 1.00 0.00 C +ATOM 159 CA GLN A 159 260.268 288.613 269.352 1.00 0.00 C +ATOM 160 CA SER A 160 257.540 286.558 271.041 1.00 0.00 C +ATOM 161 CA SER A 161 254.117 288.190 270.676 1.00 0.00 C +ATOM 162 CA HIS A 162 251.405 290.672 271.678 1.00 0.00 C +ATOM 163 CA GLN A 163 248.258 291.335 273.719 1.00 0.00 C +ATOM 164 CA GLN A 164 245.833 292.943 271.259 1.00 0.00 C +ATOM 165 CA THR A 165 247.125 292.637 267.688 1.00 0.00 C +ATOM 166 CA ALA A 166 249.654 290.926 265.408 1.00 0.00 C +ATOM 167 CA ALA A 167 249.486 290.932 261.602 1.00 0.00 C +ATOM 168 CA PRO A 168 245.943 291.028 260.205 1.00 0.00 C +ATOM 169 CA GLN A 169 243.214 290.724 257.563 1.00 0.00 C +ATOM 170 CA ARG A 170 240.154 292.344 259.153 1.00 0.00 C +ATOM 171 CA GLU A 171 239.372 290.365 262.313 1.00 0.00 C +ATOM 172 CA VAL A 172 242.210 290.010 264.829 1.00 0.00 C +ATOM 173 CA SER A 173 243.243 286.918 266.802 1.00 0.00 C +ATOM 174 CA VAL A 174 243.853 284.130 264.279 1.00 0.00 C +ATOM 175 CA GLN A 175 245.867 281.222 265.695 1.00 0.00 C +ATOM 176 CA ALA A 176 245.676 277.730 267.208 1.00 0.00 C +ATOM 177 CA SER A 177 247.033 274.430 268.543 1.00 0.00 C +ATOM 178 CA GLY A 178 249.984 274.649 270.943 1.00 0.00 C +ATOM 179 CA ARG A 179 251.036 273.960 274.539 1.00 0.00 C +ATOM 180 CA PHE A 180 250.344 273.612 278.270 1.00 0.00 C +ATOM 181 CA ARG A 181 252.101 276.492 280.041 1.00 0.00 C +ATOM 182 CA GLN A 182 249.527 279.291 280.274 1.00 0.00 C +ATOM 183 CA TYR A 183 250.553 282.595 281.871 1.00 0.00 C +ATOM 184 CA GLU A 184 253.350 283.781 284.171 1.00 0.00 C +ATOM 185 CA GLU A 185 256.503 282.102 285.495 1.00 0.00 C +ATOM 186 CA ALA A 186 257.642 278.543 284.752 1.00 0.00 C +ATOM 187 CA THR A 187 258.375 276.302 281.760 1.00 0.00 C +ATOM 188 CA PRO A 188 261.303 276.169 279.325 1.00 0.00 C +ATOM 189 CA GLU A 189 264.561 277.449 280.829 1.00 0.00 C +ATOM 190 CA ALA A 190 267.583 277.624 278.515 1.00 0.00 C +ATOM 191 CA PRO A 191 270.772 277.652 276.430 1.00 0.00 C +ATOM 192 CA LYS A 192 273.449 276.171 278.700 1.00 0.00 C +ATOM 193 CA LEU A 193 275.738 273.317 279.762 1.00 0.00 C +ATOM 194 CA PRO A 194 278.923 272.895 281.811 1.00 0.00 C +ATOM 195 CA SER A 195 282.496 271.711 281.225 1.00 0.00 C +ATOM 196 CA LEU A 196 285.474 273.130 279.318 1.00 0.00 C +ATOM 197 CA ALA A 197 288.253 271.067 277.724 1.00 0.00 C +ATOM 198 CA GLU A 198 290.282 273.226 275.328 1.00 0.00 C +ATOM 199 CA ILE A 199 291.459 273.939 271.775 1.00 0.00 C +ATOM 200 CA LEU A 200 292.801 273.009 268.333 1.00 0.00 C +ATOM 201 CA ARG A 201 292.455 270.022 265.994 1.00 0.00 C +ATOM 202 CA PRO A 202 294.144 266.666 265.360 1.00 0.00 C +ATOM 203 CA SER A 203 294.189 262.885 264.896 1.00 0.00 C +ATOM 204 CA ARG A 204 291.322 260.951 263.298 1.00 0.00 C +ATOM 205 CA PRO A 205 290.924 257.206 263.875 1.00 0.00 C +ATOM 206 CA PRO A 206 291.927 253.532 263.769 1.00 0.00 C +TER 207 PRO A 206 +END diff --git a/Fungi/A0A3M7F646/A0A3M7F646.dcd b/Fungi/A0A3M7F646/A0A3M7F646.dcd new file mode 100644 index 0000000000000000000000000000000000000000..92de71b8d1dcc13e4cbe77528940ccc2b06a34c2 --- /dev/null +++ b/Fungi/A0A3M7F646/A0A3M7F646.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:03f6a57b8d1fe2f02804a7edbac2f110398f5edb38bad3c42490878c2d460a13 +size 45840276 diff --git a/Fungi/A0A3M7F646/top.pdb b/Fungi/A0A3M7F646/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..064e3c09a3d8b92e1a17ca611dfcdceca4ff07b3 --- /dev/null +++ b/Fungi/A0A3M7F646/top.pdb @@ -0,0 +1,252 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 209.988 201.357 239.476 1.00 0.00 C +ATOM 2 CA SER A 2 208.812 204.623 241.046 1.00 0.00 C +ATOM 3 CA SER A 3 206.141 207.014 239.755 1.00 0.00 C +ATOM 4 CA ARG A 4 206.878 210.602 238.705 1.00 0.00 C +ATOM 5 CA GLY A 5 210.155 212.545 238.690 1.00 0.00 C +ATOM 6 CA ARG A 6 213.602 214.130 239.038 1.00 0.00 C +ATOM 7 CA ALA A 7 214.492 217.603 237.747 1.00 0.00 C +ATOM 8 CA GLY A 8 217.966 218.466 236.442 1.00 0.00 C +ATOM 9 CA LYS A 9 219.832 218.027 233.149 1.00 0.00 C +ATOM 10 CA PHE A 10 219.931 214.885 230.996 1.00 0.00 C +ATOM 11 CA GLN A 11 223.471 213.637 230.341 1.00 0.00 C +ATOM 12 CA LYS A 12 225.603 210.756 229.050 1.00 0.00 C +ATOM 13 CA ALA A 13 225.663 207.412 227.224 1.00 0.00 C +ATOM 14 CA LYS A 14 227.647 206.641 224.064 1.00 0.00 C +ATOM 15 CA ARG A 15 228.103 206.369 220.291 1.00 0.00 C +ATOM 16 CA GLY A 16 227.898 209.515 218.152 1.00 0.00 C +ATOM 17 CA GLY A 17 229.366 212.873 217.110 1.00 0.00 C +ATOM 18 CA GLY A 18 232.607 214.529 215.984 1.00 0.00 C +ATOM 19 CA ARG A 19 235.420 212.559 217.634 1.00 0.00 C +ATOM 20 CA ASN A 20 236.909 209.225 218.721 1.00 0.00 C +ATOM 21 CA PHE A 21 239.542 206.715 217.589 1.00 0.00 C +ATOM 22 CA SER A 22 242.315 204.609 219.135 1.00 0.00 C +ATOM 23 CA LYS A 23 244.356 205.033 222.325 1.00 0.00 C +ATOM 24 CA ASN A 24 244.851 208.201 224.383 1.00 0.00 C +ATOM 25 CA LEU A 25 244.775 210.120 227.674 1.00 0.00 C +ATOM 26 CA ARG A 26 244.710 211.515 231.219 1.00 0.00 C +ATOM 27 CA PRO A 27 246.919 212.366 234.204 1.00 0.00 C +ATOM 28 CA VAL A 28 250.198 212.416 236.144 1.00 0.00 C +ATOM 29 CA ASP A 29 252.158 209.536 237.685 1.00 0.00 C +ATOM 30 CA SER A 30 250.453 206.129 237.656 1.00 0.00 C +ATOM 31 CA ASP A 31 248.351 205.069 240.652 1.00 0.00 C +ATOM 32 CA GLY A 32 244.915 203.549 241.283 1.00 0.00 C +ATOM 33 CA ALA A 33 242.099 204.909 243.460 1.00 0.00 C +ATOM 34 CA GLU A 34 242.728 206.475 246.875 1.00 0.00 C +ATOM 35 CA ARG A 35 246.026 208.370 246.656 1.00 0.00 C +ATOM 36 CA SER A 36 249.071 209.997 245.043 1.00 0.00 C +ATOM 37 CA MET A 37 250.174 213.515 246.001 1.00 0.00 C +ATOM 38 CA TRP A 38 253.743 214.201 247.145 1.00 0.00 C +ATOM 39 CA ALA A 39 256.494 216.064 249.009 1.00 0.00 C +ATOM 40 CA GLU A 40 256.523 219.681 250.208 1.00 0.00 C +ATOM 41 CA PRO A 41 254.060 220.661 252.945 1.00 0.00 C +ATOM 42 CA GLU A 42 251.777 222.913 255.002 1.00 0.00 C +ATOM 43 CA PRO A 43 248.558 224.136 256.634 1.00 0.00 C +ATOM 44 CA GLU A 44 245.657 221.700 257.037 1.00 0.00 C +ATOM 45 CA ASP A 45 244.098 218.228 257.229 1.00 0.00 C +ATOM 46 CA ASP A 46 240.622 216.762 256.702 1.00 0.00 C +ATOM 47 CA SER A 47 238.422 217.486 253.677 1.00 0.00 C +ATOM 48 CA SER A 48 238.495 220.167 250.970 1.00 0.00 C +ATOM 49 CA ASP A 49 237.952 222.505 248.012 1.00 0.00 C +ATOM 50 CA GLU A 50 236.126 224.827 245.605 1.00 0.00 C +ATOM 51 CA ASP A 51 236.264 228.315 244.079 1.00 0.00 C +ATOM 52 CA SER A 52 235.604 229.680 240.584 1.00 0.00 C +ATOM 53 CA SER A 53 236.112 233.455 240.464 1.00 0.00 C +ATOM 54 CA GLU A 54 238.496 236.257 239.473 1.00 0.00 C +ATOM 55 CA GLU A 55 240.081 239.026 241.556 1.00 0.00 C +ATOM 56 CA ASP A 56 243.879 238.782 241.735 1.00 0.00 C +ATOM 57 CA SER A 57 247.432 239.315 240.467 1.00 0.00 C +ATOM 58 CA ASP A 58 247.843 242.756 238.883 1.00 0.00 C +ATOM 59 CA GLU A 59 244.752 244.902 239.480 1.00 0.00 C +ATOM 60 CA GLU A 60 244.915 248.104 237.422 1.00 0.00 C +ATOM 61 CA SER A 61 241.681 248.297 235.416 1.00 0.00 C +ATOM 62 CA SER A 62 238.340 249.226 236.994 1.00 0.00 C +ATOM 63 CA GLU A 63 237.386 252.910 236.803 1.00 0.00 C +ATOM 64 CA ASP A 64 233.859 253.594 235.535 1.00 0.00 C +ATOM 65 CA GLU A 65 230.473 254.405 237.083 1.00 0.00 C +ATOM 66 CA ALA A 66 227.621 255.069 234.646 1.00 0.00 C +ATOM 67 CA PRO A 67 224.679 252.969 235.851 1.00 0.00 C +ATOM 68 CA LYS A 68 221.383 254.457 237.049 1.00 0.00 C +ATOM 69 CA GLN A 69 219.784 257.916 237.056 1.00 0.00 C +ATOM 70 CA GLN A 70 217.410 260.443 238.634 1.00 0.00 C +ATOM 71 CA GLU A 71 216.577 264.122 239.173 1.00 0.00 C +ATOM 72 CA THR A 72 219.163 266.591 240.490 1.00 0.00 C +ATOM 73 CA GLN A 73 220.552 268.786 237.703 1.00 0.00 C +ATOM 74 CA GLN A 74 224.283 268.020 237.603 1.00 0.00 C +ATOM 75 CA GLU A 75 225.792 266.983 234.262 1.00 0.00 C +ATOM 76 CA MET A 76 226.925 265.203 231.090 1.00 0.00 C +ATOM 77 CA THR A 77 229.457 262.376 231.429 1.00 0.00 C +ATOM 78 CA ARG A 78 232.132 261.328 233.932 1.00 0.00 C +ATOM 79 CA GLU A 79 230.550 260.583 237.316 1.00 0.00 C +ATOM 80 CA GLU A 80 230.581 262.796 240.417 1.00 0.00 C +ATOM 81 CA ARG A 81 228.568 265.914 241.279 1.00 0.00 C +ATOM 82 CA LYS A 82 227.513 267.441 244.607 1.00 0.00 C +ATOM 83 CA ALA A 83 228.646 265.841 247.874 1.00 0.00 C +ATOM 84 CA ALA A 84 231.452 266.790 250.270 1.00 0.00 C +ATOM 85 CA GLN A 85 232.676 265.920 253.771 1.00 0.00 C +ATOM 86 CA ARG A 86 231.958 262.625 255.544 1.00 0.00 C +ATOM 87 CA ALA A 87 228.976 261.035 257.302 1.00 0.00 C +ATOM 88 CA LYS A 88 229.700 257.468 258.429 1.00 0.00 C +ATOM 89 CA LYS A 89 233.196 256.603 259.673 1.00 0.00 C +ATOM 90 CA GLU A 90 233.776 256.163 263.413 1.00 0.00 C +ATOM 91 CA ALA A 91 231.843 256.053 266.694 1.00 0.00 C +ATOM 92 CA ALA A 92 232.202 258.250 269.786 1.00 0.00 C +ATOM 93 CA ILE A 93 233.781 261.641 270.512 1.00 0.00 C +ATOM 94 CA LYS A 94 232.281 264.419 272.644 1.00 0.00 C +ATOM 95 CA LYS A 95 232.903 268.065 271.732 1.00 0.00 C +ATOM 96 CA LYS A 96 236.403 269.101 272.823 1.00 0.00 C +ATOM 97 CA GLN A 97 238.736 271.628 271.184 1.00 0.00 C +ATOM 98 CA GLY A 98 237.349 275.132 271.743 1.00 0.00 C +ATOM 99 CA PRO A 99 237.595 278.849 270.942 1.00 0.00 C +ATOM 100 CA ALA A 100 236.257 281.251 273.579 1.00 0.00 C +ATOM 101 CA GLN A 101 234.050 284.199 272.601 1.00 0.00 C +ATOM 102 CA PRO A 102 234.241 284.445 268.803 1.00 0.00 C +ATOM 103 CA GLY A 103 234.633 282.060 265.859 1.00 0.00 C +ATOM 104 CA ASP A 104 236.767 279.962 263.500 1.00 0.00 C +ATOM 105 CA LEU A 105 238.707 282.322 261.223 1.00 0.00 C +ATOM 106 CA PRO A 106 241.511 281.087 258.958 1.00 0.00 C +ATOM 107 CA PRO A 107 242.396 277.383 258.860 1.00 0.00 C +ATOM 108 CA SER A 108 239.099 275.605 259.558 1.00 0.00 C +ATOM 109 CA GLU A 109 235.318 275.372 259.152 1.00 0.00 C +ATOM 110 CA SER A 110 232.348 273.287 257.991 1.00 0.00 C +ATOM 111 CA GLU A 111 230.372 271.549 255.236 1.00 0.00 C +ATOM 112 CA GLU A 112 227.435 270.540 253.028 1.00 0.00 C +ATOM 113 CA GLU A 113 224.411 268.395 253.903 1.00 0.00 C +ATOM 114 CA GLY A 114 222.223 270.154 256.478 1.00 0.00 C +ATOM 115 CA GLY A 115 220.362 273.197 257.819 1.00 0.00 C +ATOM 116 CA ALA A 116 218.901 276.266 256.099 1.00 0.00 C +ATOM 117 CA ASP A 117 217.120 278.245 258.825 1.00 0.00 C +ATOM 118 CA GLY A 118 217.686 281.792 260.094 1.00 0.00 C +ATOM 119 CA ASP A 119 220.247 284.536 259.443 1.00 0.00 C +ATOM 120 CA MET A 120 224.056 284.515 259.366 1.00 0.00 C +ATOM 121 CA PRO A 121 226.989 286.834 260.100 1.00 0.00 C +ATOM 122 CA ALA A 122 230.625 285.759 259.726 1.00 0.00 C +ATOM 123 CA ASN A 123 233.644 286.648 257.578 1.00 0.00 C +ATOM 124 CA PRO A 124 234.856 287.078 253.991 1.00 0.00 C +ATOM 125 CA ASN A 125 236.745 290.351 253.507 1.00 0.00 C +ATOM 126 CA HIS A 126 236.310 292.212 250.211 1.00 0.00 C +ATOM 127 CA SER A 127 237.538 290.184 247.228 1.00 0.00 C +ATOM 128 CA VAL A 128 239.160 292.341 244.538 1.00 0.00 C +ATOM 129 CA ALA A 129 242.499 292.342 242.705 1.00 0.00 C +ATOM 130 CA ALA A 130 245.081 291.212 245.269 1.00 0.00 C +ATOM 131 CA LYS A 131 248.671 290.049 244.744 1.00 0.00 C +ATOM 132 CA LYS A 132 251.422 292.675 244.976 1.00 0.00 C +ATOM 133 CA MET A 133 251.109 295.679 247.298 1.00 0.00 C +ATOM 134 CA VAL A 134 248.280 295.788 249.848 1.00 0.00 C +ATOM 135 CA ALA A 135 245.809 293.806 251.965 1.00 0.00 C +ATOM 136 CA LYS A 136 244.096 290.586 253.066 1.00 0.00 C +ATOM 137 CA ALA A 137 244.940 287.260 251.409 1.00 0.00 C +ATOM 138 CA THR A 138 247.870 285.017 250.460 1.00 0.00 C +ATOM 139 CA ALA A 139 248.279 281.233 250.640 1.00 0.00 C +ATOM 140 CA ASP A 140 247.948 278.128 248.457 1.00 0.00 C +ATOM 141 CA PRO A 141 247.052 275.943 245.468 1.00 0.00 C +ATOM 142 CA SER A 142 244.051 274.753 243.445 1.00 0.00 C +ATOM 143 CA ALA A 143 241.369 277.444 243.150 1.00 0.00 C +ATOM 144 CA PRO A 144 239.379 278.182 239.986 1.00 0.00 C +ATOM 145 CA ARG A 145 240.521 275.684 237.345 1.00 0.00 C +ATOM 146 CA LYS A 146 240.963 273.991 233.961 1.00 0.00 C +ATOM 147 CA VAL A 147 241.914 270.309 233.719 1.00 0.00 C +ATOM 148 CA LYS A 148 243.982 267.423 235.101 1.00 0.00 C +ATOM 149 CA LYS A 149 244.644 263.753 235.884 1.00 0.00 C +ATOM 150 CA ASP A 150 247.843 262.389 234.327 1.00 0.00 C +ATOM 151 CA THR A 151 250.180 260.479 236.654 1.00 0.00 C +ATOM 152 CA ASP A 152 251.498 258.018 239.246 1.00 0.00 C +ATOM 153 CA MET A 153 254.865 256.903 237.855 1.00 0.00 C +ATOM 154 CA SER A 154 258.300 256.512 239.458 1.00 0.00 C +ATOM 155 CA GLN A 155 261.426 258.314 240.680 1.00 0.00 C +ATOM 156 CA LEU A 156 263.139 260.360 243.400 1.00 0.00 C +ATOM 157 CA SER A 157 266.268 260.808 245.527 1.00 0.00 C +ATOM 158 CA ARG A 158 269.173 258.938 247.132 1.00 0.00 C +ATOM 159 CA ARG A 159 272.932 258.488 246.704 1.00 0.00 C +ATOM 160 CA GLU A 160 274.643 255.114 247.162 1.00 0.00 C +ATOM 161 CA ARG A 161 274.106 251.709 248.785 1.00 0.00 C +ATOM 162 CA GLU A 162 270.898 251.435 250.821 1.00 0.00 C +ATOM 163 CA ALA A 163 271.769 249.753 254.128 1.00 0.00 C +ATOM 164 CA LEU A 164 273.041 251.874 257.026 1.00 0.00 C +ATOM 165 CA GLN A 165 272.191 255.550 256.497 1.00 0.00 C +ATOM 166 CA ALA A 166 269.568 258.214 255.760 1.00 0.00 C +ATOM 167 CA GLN A 167 268.361 261.823 255.947 1.00 0.00 C +ATOM 168 CA GLN A 168 264.801 261.874 254.591 1.00 0.00 C +ATOM 169 CA ALA A 169 262.082 264.515 254.974 1.00 0.00 C +ATOM 170 CA LYS A 170 262.174 267.893 256.734 1.00 0.00 C +ATOM 171 CA GLU A 171 262.411 267.400 260.504 1.00 0.00 C +ATOM 172 CA ARG A 172 265.664 265.567 261.260 1.00 0.00 C +ATOM 173 CA TYR A 173 269.142 266.747 260.245 1.00 0.00 C +ATOM 174 CA GLN A 174 270.164 269.462 257.776 1.00 0.00 C +ATOM 175 CA LYS A 175 271.082 268.754 254.146 1.00 0.00 C +ATOM 176 CA LEU A 176 273.069 265.584 253.425 1.00 0.00 C +ATOM 177 CA HIS A 177 274.289 262.663 251.305 1.00 0.00 C +ATOM 178 CA ALA A 178 275.743 260.195 253.818 1.00 0.00 C +ATOM 179 CA GLU A 179 279.051 258.317 254.030 1.00 0.00 C +ATOM 180 CA GLY A 180 279.289 257.259 257.682 1.00 0.00 C +ATOM 181 CA LYS A 181 277.676 255.394 260.587 1.00 0.00 C +ATOM 182 CA THR A 182 274.891 253.889 262.707 1.00 0.00 C +ATOM 183 CA GLU A 183 273.783 250.269 263.142 1.00 0.00 C +ATOM 184 CA GLU A 184 275.357 247.168 264.699 1.00 0.00 C +ATOM 185 CA ALA A 185 275.293 246.624 268.469 1.00 0.00 C +ATOM 186 CA ARG A 186 275.103 243.421 270.524 1.00 0.00 C +ATOM 187 CA ASN A 187 275.315 239.622 270.333 1.00 0.00 C +ATOM 188 CA ASP A 188 276.879 236.148 270.395 1.00 0.00 C +ATOM 189 CA LEU A 189 280.648 236.465 270.848 1.00 0.00 C +ATOM 190 CA GLU A 190 282.868 239.555 271.055 1.00 0.00 C +ATOM 191 CA ARG A 191 286.561 239.113 271.881 1.00 0.00 C +ATOM 192 CA LEU A 192 290.343 238.676 271.742 1.00 0.00 C +ATOM 193 CA LYS A 193 292.518 241.695 272.562 1.00 0.00 C +ATOM 194 CA LEU A 194 295.975 241.405 270.987 1.00 0.00 C +ATOM 195 CA VAL A 195 299.545 241.433 269.657 1.00 0.00 C +ATOM 196 CA ARG A 196 302.494 243.698 270.488 1.00 0.00 C +ATOM 197 CA GLU A 197 303.166 247.001 272.262 1.00 0.00 C +ATOM 198 CA GLN A 198 302.964 250.795 271.978 1.00 0.00 C +ATOM 199 CA ARG A 199 299.987 252.407 270.230 1.00 0.00 C +ATOM 200 CA ALA A 200 296.899 253.897 268.569 1.00 0.00 C +ATOM 201 CA GLU A 201 293.478 252.898 267.222 1.00 0.00 C +ATOM 202 CA ALA A 202 289.771 252.921 268.100 1.00 0.00 C +ATOM 203 CA ALA A 203 287.828 250.792 265.608 1.00 0.00 C +ATOM 204 CA ALA A 204 286.727 248.040 263.215 1.00 0.00 C +ATOM 205 CA ARG A 205 285.627 247.456 259.614 1.00 0.00 C +ATOM 206 CA LYS A 206 285.191 245.205 256.572 1.00 0.00 C +ATOM 207 CA GLU A 207 283.807 241.658 256.717 1.00 0.00 C +ATOM 208 CA ALA A 208 281.183 239.010 255.929 1.00 0.00 C +ATOM 209 CA GLU A 209 281.520 235.266 256.550 1.00 0.00 C +ATOM 210 CA LYS A 210 278.301 233.416 255.695 1.00 0.00 C +ATOM 211 CA GLN A 211 274.788 234.864 255.422 1.00 0.00 C +ATOM 212 CA GLU A 212 273.578 237.192 252.659 1.00 0.00 C +ATOM 213 CA LYS A 213 275.527 239.811 250.696 1.00 0.00 C +ATOM 214 CA ASP A 214 275.009 243.470 251.625 1.00 0.00 C +ATOM 215 CA LEU A 215 277.247 246.126 250.060 1.00 0.00 C +ATOM 216 CA ILE A 216 279.240 246.754 246.874 1.00 0.00 C +ATOM 217 CA GLU A 217 278.326 245.031 243.601 1.00 0.00 C +ATOM 218 CA LYS A 218 280.244 241.743 243.448 1.00 0.00 C +ATOM 219 CA GLU A 219 278.975 238.947 245.703 1.00 0.00 C +ATOM 220 CA LYS A 220 276.995 235.938 244.462 1.00 0.00 C +ATOM 221 CA LYS A 221 274.666 235.457 241.485 1.00 0.00 C +ATOM 222 CA GLU A 222 271.014 234.991 242.466 1.00 0.00 C +ATOM 223 CA GLN A 223 267.433 235.490 243.668 1.00 0.00 C +ATOM 224 CA MET A 224 265.471 232.233 243.433 1.00 0.00 C +ATOM 225 CA ALA A 225 261.744 231.445 243.359 1.00 0.00 C +ATOM 226 CA ARG A 226 259.107 228.808 242.580 1.00 0.00 C +ATOM 227 CA MET A 227 257.499 225.838 244.343 1.00 0.00 C +ATOM 228 CA GLU A 228 257.519 225.492 248.137 1.00 0.00 C +ATOM 229 CA ARG A 229 257.443 228.410 250.587 1.00 0.00 C +ATOM 230 CA GLN A 230 258.791 231.666 252.035 1.00 0.00 C +ATOM 231 CA GLN A 231 260.806 232.660 255.111 1.00 0.00 C +ATOM 232 CA ALA A 232 264.440 233.538 254.377 1.00 0.00 C +ATOM 233 CA GLN A 233 264.968 236.872 256.145 1.00 0.00 C +ATOM 234 CA LYS A 234 265.915 239.778 258.419 1.00 0.00 C +ATOM 235 CA ALA A 235 267.262 243.113 257.162 1.00 0.00 C +ATOM 236 CA ALA A 236 266.626 246.720 256.111 1.00 0.00 C +ATOM 237 CA ARG A 237 263.922 248.402 258.203 1.00 0.00 C +ATOM 238 CA GLY A 238 262.783 250.950 260.797 1.00 0.00 C +ATOM 239 CA ASN A 239 260.952 254.043 262.060 1.00 0.00 C +ATOM 240 CA ARG A 240 261.372 257.010 259.707 1.00 0.00 C +ATOM 241 CA GLY A 241 258.568 259.439 260.575 1.00 0.00 C +ATOM 242 CA ALA A 242 255.944 260.955 262.884 1.00 0.00 C +ATOM 243 CA LYS A 243 254.735 264.078 261.065 1.00 0.00 C +ATOM 244 CA LYS A 244 254.225 266.731 263.751 1.00 0.00 C +ATOM 245 CA GLY A 245 252.439 268.282 266.738 1.00 0.00 C +ATOM 246 CA GLY A 246 254.631 271.163 267.924 1.00 0.00 C +ATOM 247 CA LYS A 247 256.519 271.891 271.153 1.00 0.00 C +ATOM 248 CA SER A 248 258.316 271.363 274.470 1.00 0.00 C +TER 249 SER A 248 +END diff --git a/Fungi/A0A3M7MC50/A0A3M7MC50.dcd b/Fungi/A0A3M7MC50/A0A3M7MC50.dcd new file mode 100644 index 0000000000000000000000000000000000000000..89e1adf87ee513079d5206815bbdeb44b5010944 --- /dev/null +++ b/Fungi/A0A3M7MC50/A0A3M7MC50.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6624bc372dcb5c80c016722bbb1d31fa5cb9845ae179088e402c5ae8bcc48d3b +size 7880276 diff --git a/Fungi/A0A3M7MC50/top.pdb b/Fungi/A0A3M7MC50/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e490d501855679772530f4ee71924447415365ed --- /dev/null +++ b/Fungi/A0A3M7MC50/top.pdb @@ -0,0 +1,63 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 258.046 232.534 282.034 1.00 0.00 C +ATOM 2 CA GLN A 2 260.940 232.042 279.606 1.00 0.00 C +ATOM 3 CA THR A 3 261.009 233.418 276.053 1.00 0.00 C +ATOM 4 CA PRO A 4 258.288 232.372 273.600 1.00 0.00 C +ATOM 5 CA THR A 5 257.881 233.963 270.162 1.00 0.00 C +ATOM 6 CA PRO A 6 260.397 235.452 267.719 1.00 0.00 C +ATOM 7 CA ILE A 7 260.866 236.240 264.021 1.00 0.00 C +ATOM 8 CA LYS A 8 260.872 233.656 261.221 1.00 0.00 C +ATOM 9 CA ILE A 9 259.051 235.116 258.210 1.00 0.00 C +ATOM 10 CA PRO A 10 258.766 236.170 254.560 1.00 0.00 C +ATOM 11 CA TYR A 11 257.419 234.232 251.569 1.00 0.00 C +ATOM 12 CA ASN A 12 254.205 234.850 249.619 1.00 0.00 C +ATOM 13 CA ASP A 13 254.098 235.498 245.866 1.00 0.00 C +ATOM 14 CA THR A 14 255.280 238.725 244.222 1.00 0.00 C +ATOM 15 CA HIS A 15 254.974 240.444 240.836 1.00 0.00 C +ATOM 16 CA SER A 16 256.444 238.228 238.107 1.00 0.00 C +ATOM 17 CA THR A 17 255.643 234.651 239.146 1.00 0.00 C +ATOM 18 CA ALA A 18 251.977 234.141 240.048 1.00 0.00 C +ATOM 19 CA THR A 19 250.586 230.602 240.295 1.00 0.00 C +ATOM 20 CA ALA A 20 251.768 228.766 243.417 1.00 0.00 C +ATOM 21 CA CYS A 21 254.644 227.005 245.191 1.00 0.00 C +ATOM 22 CA THR A 22 253.782 224.068 247.460 1.00 0.00 C +ATOM 23 CA ASP A 23 254.127 225.073 251.119 1.00 0.00 C +ATOM 24 CA ARG A 24 253.167 224.054 254.662 1.00 0.00 C +ATOM 25 CA GLN A 25 250.418 225.398 256.932 1.00 0.00 C +ATOM 26 CA LYS A 26 249.527 229.013 256.123 1.00 0.00 C +ATOM 27 CA ASP A 27 247.409 232.141 255.627 1.00 0.00 C +ATOM 28 CA ALA A 28 245.087 235.133 256.044 1.00 0.00 C +ATOM 29 CA GLU A 29 244.070 238.786 256.411 1.00 0.00 C +ATOM 30 CA ASN A 30 241.062 241.103 256.094 1.00 0.00 C +ATOM 31 CA GLU A 31 240.363 241.937 252.443 1.00 0.00 C +ATOM 32 CA SER A 32 237.191 243.686 251.262 1.00 0.00 C +ATOM 33 CA GLU A 33 236.930 243.420 247.470 1.00 0.00 C +ATOM 34 CA TYR A 34 234.269 245.424 245.621 1.00 0.00 C +ATOM 35 CA SER A 35 233.538 245.945 241.918 1.00 0.00 C +ATOM 36 CA ARG A 36 235.623 245.772 238.734 1.00 0.00 C +ATOM 37 CA LEU A 37 238.615 248.125 238.889 1.00 0.00 C +ATOM 38 CA LYS A 38 241.769 249.768 237.522 1.00 0.00 C +ATOM 39 CA THR A 39 243.884 252.892 238.054 1.00 0.00 C +ATOM 40 CA THR A 40 245.245 254.854 241.023 1.00 0.00 C +ATOM 41 CA GLY A 41 246.105 257.874 243.181 1.00 0.00 C +ATOM 42 CA GLN A 42 247.811 261.058 244.391 1.00 0.00 C +ATOM 43 CA GLU A 43 246.439 262.209 247.754 1.00 0.00 C +ATOM 44 CA ARG A 44 248.278 263.711 250.734 1.00 0.00 C +ATOM 45 CA ASP A 45 251.594 265.542 251.137 1.00 0.00 C +ATOM 46 CA ARG A 46 254.018 268.470 251.401 1.00 0.00 C +ATOM 47 CA ARG A 47 256.258 271.552 251.433 1.00 0.00 C +ATOM 48 CA ARG A 48 254.922 274.926 250.271 1.00 0.00 C +ATOM 49 CA PRO A 49 252.330 277.560 251.197 1.00 0.00 C +ATOM 50 CA PRO A 50 251.621 281.252 251.813 1.00 0.00 C +ATOM 51 CA LYS A 51 248.826 282.889 249.806 1.00 0.00 C +ATOM 52 CA ARG A 52 247.021 285.776 248.097 1.00 0.00 C +ATOM 53 CA THR A 53 247.681 289.441 247.290 1.00 0.00 C +ATOM 54 CA LYS A 54 247.015 290.338 243.647 1.00 0.00 C +ATOM 55 CA ASP A 55 244.178 289.035 241.464 1.00 0.00 C +ATOM 56 CA ALA A 56 243.503 288.997 237.715 1.00 0.00 C +ATOM 57 CA ARG A 57 245.008 289.952 234.348 1.00 0.00 C +ATOM 58 CA ASP A 58 247.772 292.561 234.076 1.00 0.00 C +ATOM 59 CA GLU A 59 250.387 292.160 231.334 1.00 0.00 C +TER 60 GLU A 59 +END diff --git a/Fungi/A0A3M9Y0D0/A0A3M9Y0D0.dcd b/Fungi/A0A3M9Y0D0/A0A3M9Y0D0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..bf3b9f0caef7505011c287f501ce4ca5d1e1bcb3 --- /dev/null +++ b/Fungi/A0A3M9Y0D0/A0A3M9Y0D0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:84a1f02b706c574e018d9aae542997baba65bf0839dcda16ecf3cfb5559086d0 +size 11840276 diff --git a/Fungi/A0A3M9Y0D0/top.pdb b/Fungi/A0A3M9Y0D0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3d78b0cfc22e7ea5f82746d28ed7ba6ae01b9de2 --- /dev/null +++ b/Fungi/A0A3M9Y0D0/top.pdb @@ -0,0 +1,96 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 247.438 289.651 302.982 1.00 0.00 C +ATOM 2 CA ALA A 2 246.114 286.237 301.929 1.00 0.00 C +ATOM 3 CA SER A 3 248.251 283.424 300.503 1.00 0.00 C +ATOM 4 CA SER A 4 247.911 282.826 296.756 1.00 0.00 C +ATOM 5 CA ASP A 5 250.887 281.136 295.081 1.00 0.00 C +ATOM 6 CA THR A 6 251.330 277.827 293.245 1.00 0.00 C +ATOM 7 CA LYS A 7 251.533 276.528 289.669 1.00 0.00 C +ATOM 8 CA PRO A 8 254.911 274.774 289.492 1.00 0.00 C +ATOM 9 CA ALA A 9 257.962 274.204 287.282 1.00 0.00 C +ATOM 10 CA ASP A 10 260.472 273.257 284.577 1.00 0.00 C +ATOM 11 CA LYS A 11 261.725 274.272 281.125 1.00 0.00 C +ATOM 12 CA THR A 12 258.856 275.691 279.058 1.00 0.00 C +ATOM 13 CA ALA A 13 259.666 277.305 275.703 1.00 0.00 C +ATOM 14 CA GLN A 14 260.603 276.905 272.032 1.00 0.00 C +ATOM 15 CA ASP A 15 262.380 277.326 268.688 1.00 0.00 C +ATOM 16 CA PRO A 16 262.793 279.668 265.711 1.00 0.00 C +ATOM 17 CA LYS A 17 265.687 278.699 263.431 1.00 0.00 C +ATOM 18 CA VAL A 18 268.344 281.296 262.588 1.00 0.00 C +ATOM 19 CA GLU A 19 270.818 282.490 265.229 1.00 0.00 C +ATOM 20 CA GLU A 20 271.430 280.039 268.081 1.00 0.00 C +ATOM 21 CA THR A 21 271.106 276.268 268.515 1.00 0.00 C +ATOM 22 CA GLN A 22 268.514 273.995 270.136 1.00 0.00 C +ATOM 23 CA LYS A 23 267.480 270.331 269.993 1.00 0.00 C +ATOM 24 CA PRO A 24 269.366 267.369 271.471 1.00 0.00 C +ATOM 25 CA ALA A 25 267.245 266.251 274.432 1.00 0.00 C +ATOM 26 CA THR A 26 263.481 265.887 273.962 1.00 0.00 C +ATOM 27 CA ALA A 27 261.965 262.806 272.310 1.00 0.00 C +ATOM 28 CA ALA A 28 263.334 261.814 268.896 1.00 0.00 C +ATOM 29 CA ALA A 29 262.447 262.703 265.299 1.00 0.00 C +ATOM 30 CA LEU A 30 262.469 261.179 261.808 1.00 0.00 C +ATOM 31 CA GLY A 31 259.826 259.618 259.551 1.00 0.00 C +ATOM 32 CA GLU A 32 257.006 257.220 258.648 1.00 0.00 C +ATOM 33 CA ASP A 33 253.992 255.945 260.599 1.00 0.00 C +ATOM 34 CA ASP A 34 251.003 256.655 258.347 1.00 0.00 C +ATOM 35 CA GLU A 35 250.741 255.488 254.730 1.00 0.00 C +ATOM 36 CA PHE A 36 250.201 252.858 252.026 1.00 0.00 C +ATOM 37 CA GLU A 37 249.054 250.306 249.441 1.00 0.00 C +ATOM 38 CA ASP A 38 248.160 249.399 245.850 1.00 0.00 C +ATOM 39 CA PHE A 39 249.037 246.901 243.110 1.00 0.00 C +ATOM 40 CA PRO A 40 247.067 247.940 240.019 1.00 0.00 C +ATOM 41 CA VAL A 41 245.271 250.068 237.418 1.00 0.00 C +ATOM 42 CA ASP A 42 246.439 251.748 234.204 1.00 0.00 C +ATOM 43 CA ASP A 43 246.520 252.339 230.441 1.00 0.00 C +ATOM 44 CA TRP A 44 248.738 254.645 228.372 1.00 0.00 C +ATOM 45 CA ASN A 45 252.149 255.786 229.627 1.00 0.00 C +ATOM 46 CA GLU A 46 254.468 258.810 229.663 1.00 0.00 C +ATOM 47 CA GLU A 47 255.151 261.377 226.932 1.00 0.00 C +ATOM 48 CA ASP A 48 256.018 259.915 223.522 1.00 0.00 C +ATOM 49 CA THR A 49 256.290 256.707 221.484 1.00 0.00 C +ATOM 50 CA GLU A 50 257.424 253.110 220.946 1.00 0.00 C +ATOM 51 CA ALA A 51 258.650 250.209 223.090 1.00 0.00 C +ATOM 52 CA ALA A 52 258.838 247.520 225.783 1.00 0.00 C +ATOM 53 CA GLY A 53 259.041 246.985 229.550 1.00 0.00 C +ATOM 54 CA GLY A 54 255.594 247.563 231.065 1.00 0.00 C +ATOM 55 CA ASN A 55 251.994 248.244 232.111 1.00 0.00 C +ATOM 56 CA ASN A 56 249.353 245.936 233.599 1.00 0.00 C +ATOM 57 CA THR A 57 248.008 242.436 232.924 1.00 0.00 C +ATOM 58 CA THR A 58 250.968 240.228 231.986 1.00 0.00 C +ATOM 59 CA GLN A 59 251.822 238.788 228.563 1.00 0.00 C +ATOM 60 CA HIS A 60 255.627 238.790 228.364 1.00 0.00 C +ATOM 61 CA LEU A 61 256.406 236.699 225.275 1.00 0.00 C +ATOM 62 CA TRP A 62 255.252 238.883 222.374 1.00 0.00 C +ATOM 63 CA GLU A 63 254.172 242.364 223.485 1.00 0.00 C +ATOM 64 CA GLU A 64 250.935 244.297 222.933 1.00 0.00 C +ATOM 65 CA SER A 65 248.400 243.546 225.676 1.00 0.00 C +ATOM 66 CA TRP A 66 246.588 245.899 228.063 1.00 0.00 C +ATOM 67 CA ASP A 67 242.905 246.644 228.692 1.00 0.00 C +ATOM 68 CA ASP A 68 241.020 244.310 231.040 1.00 0.00 C +ATOM 69 CA ASP A 69 238.890 242.040 233.237 1.00 0.00 C +ATOM 70 CA ASP A 70 235.638 240.108 233.689 1.00 0.00 C +ATOM 71 CA THR A 71 236.414 236.470 234.512 1.00 0.00 C +ATOM 72 CA ASN A 72 234.835 233.081 233.779 1.00 0.00 C +ATOM 73 CA ASP A 73 231.275 231.726 233.721 1.00 0.00 C +ATOM 74 CA ASP A 74 229.001 232.963 236.517 1.00 0.00 C +ATOM 75 CA PHE A 75 226.705 231.663 239.265 1.00 0.00 C +ATOM 76 CA SER A 76 225.690 229.798 242.429 1.00 0.00 C +ATOM 77 CA ALA A 77 227.012 226.237 242.139 1.00 0.00 C +ATOM 78 CA GLN A 78 227.551 223.604 239.438 1.00 0.00 C +ATOM 79 CA LEU A 79 227.166 220.799 236.889 1.00 0.00 C +ATOM 80 CA LYS A 80 224.177 218.457 236.571 1.00 0.00 C +ATOM 81 CA GLU A 81 224.724 214.815 237.546 1.00 0.00 C +ATOM 82 CA GLU A 82 227.237 213.958 240.279 1.00 0.00 C +ATOM 83 CA LEU A 83 229.412 213.703 243.396 1.00 0.00 C +ATOM 84 CA LYS A 84 233.120 213.176 244.094 1.00 0.00 C +ATOM 85 CA LYS A 85 235.022 210.013 243.149 1.00 0.00 C +ATOM 86 CA VAL A 86 233.778 206.672 244.494 1.00 0.00 C +ATOM 87 CA GLU A 87 236.581 205.080 246.525 1.00 0.00 C +ATOM 88 CA ALA A 88 239.717 205.464 244.396 1.00 0.00 C +ATOM 89 CA SER A 89 242.680 204.872 242.076 1.00 0.00 C +ATOM 90 CA LYS A 90 245.615 206.638 240.406 1.00 0.00 C +ATOM 91 CA ARG A 91 249.155 205.409 239.718 1.00 0.00 C +ATOM 92 CA ARG A 92 251.958 204.915 242.250 1.00 0.00 C +TER 93 ARG A 92 +END diff --git a/Fungi/A0A3N4HE49/A0A3N4HE49.dcd b/Fungi/A0A3N4HE49/A0A3N4HE49.dcd new file mode 100644 index 0000000000000000000000000000000000000000..db8f29c93f15a4e695d4e503f76ef55b5f286586 --- /dev/null +++ b/Fungi/A0A3N4HE49/A0A3N4HE49.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:14bfceff494b646c2a57d3062083b255018ebb0a6c623b090167c24b00eafa67 +size 20000276 diff --git a/Fungi/A0A3N4HE49/top.pdb b/Fungi/A0A3N4HE49/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..714358846c7b3746f21994570281ab4e903ea266 --- /dev/null +++ b/Fungi/A0A3N4HE49/top.pdb @@ -0,0 +1,164 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 246.765 179.967 255.628 1.00 0.00 C +ATOM 2 CA ASN A 2 246.666 183.226 253.658 1.00 0.00 C +ATOM 3 CA GLY A 3 244.159 185.319 251.694 1.00 0.00 C +ATOM 4 CA GLU A 4 240.790 186.067 253.308 1.00 0.00 C +ATOM 5 CA ARG A 5 239.465 188.505 255.919 1.00 0.00 C +ATOM 6 CA PRO A 6 241.369 190.676 258.405 1.00 0.00 C +ATOM 7 CA ILE A 7 243.877 193.330 259.491 1.00 0.00 C +ATOM 8 CA ILE A 8 245.648 194.415 262.686 1.00 0.00 C +ATOM 9 CA PRO A 9 244.989 197.175 265.228 1.00 0.00 C +ATOM 10 CA PRO A 10 244.655 200.946 264.803 1.00 0.00 C +ATOM 11 CA SER A 11 242.356 202.145 262.011 1.00 0.00 C +ATOM 12 CA GLN A 12 240.370 203.423 259.022 1.00 0.00 C +ATOM 13 CA THR A 13 242.243 205.892 256.805 1.00 0.00 C +ATOM 14 CA ASP A 14 244.931 207.639 254.746 1.00 0.00 C +ATOM 15 CA SER A 15 245.503 207.370 250.988 1.00 0.00 C +ATOM 16 CA MET A 16 245.781 210.035 248.279 1.00 0.00 C +ATOM 17 CA SER A 17 245.866 210.683 244.525 1.00 0.00 C +ATOM 18 CA LEU A 18 245.361 213.569 242.091 1.00 0.00 C +ATOM 19 CA GLN A 19 247.682 216.313 240.826 1.00 0.00 C +ATOM 20 CA HIS A 20 248.224 219.319 238.548 1.00 0.00 C +ATOM 21 CA LEU A 21 246.288 222.528 237.864 1.00 0.00 C +ATOM 22 CA GLN A 22 244.480 224.725 240.397 1.00 0.00 C +ATOM 23 CA THR A 23 242.954 222.365 242.969 1.00 0.00 C +ATOM 24 CA ARG A 24 239.876 220.650 241.518 1.00 0.00 C +ATOM 25 CA HIS A 25 237.283 220.189 238.765 1.00 0.00 C +ATOM 26 CA ARG A 26 234.957 221.871 236.259 1.00 0.00 C +ATOM 27 CA ARG A 27 231.295 222.772 235.720 1.00 0.00 C +ATOM 28 CA GLN A 28 229.597 219.474 234.848 1.00 0.00 C +ATOM 29 CA GLY A 29 229.051 217.358 237.969 1.00 0.00 C +ATOM 30 CA ALA A 30 227.874 219.831 240.618 1.00 0.00 C +ATOM 31 CA SER A 31 230.688 221.149 242.823 1.00 0.00 C +ATOM 32 CA THR A 32 233.345 222.434 245.233 1.00 0.00 C +ATOM 33 CA PRO A 33 235.048 225.078 247.383 1.00 0.00 C +ATOM 34 CA ILE A 34 233.371 228.214 248.750 1.00 0.00 C +ATOM 35 CA TRP A 35 233.253 231.006 251.340 1.00 0.00 C +ATOM 36 CA ASN A 36 232.367 234.403 249.861 1.00 0.00 C +ATOM 37 CA GLU A 37 231.453 237.800 251.324 1.00 0.00 C +ATOM 38 CA LEU A 38 232.061 238.442 255.030 1.00 0.00 C +ATOM 39 CA PRO A 39 232.607 242.085 256.003 1.00 0.00 C +ATOM 40 CA PRO A 40 232.824 245.822 256.714 1.00 0.00 C +ATOM 41 CA ASN A 41 235.664 247.797 258.310 1.00 0.00 C +ATOM 42 CA GLU A 42 237.409 249.723 255.524 1.00 0.00 C +ATOM 43 CA SER A 43 239.513 251.534 252.915 1.00 0.00 C +ATOM 44 CA ILE A 44 241.811 254.513 252.314 1.00 0.00 C +ATOM 45 CA THR A 45 242.570 255.803 248.810 1.00 0.00 C +ATOM 46 CA ALA A 46 246.240 255.293 247.921 1.00 0.00 C +ATOM 47 CA GLU A 47 247.196 253.507 244.694 1.00 0.00 C +ATOM 48 CA ARG A 48 249.725 251.558 242.616 1.00 0.00 C +ATOM 49 CA ASP A 49 248.103 248.511 241.004 1.00 0.00 C +ATOM 50 CA THR A 50 247.083 245.928 243.613 1.00 0.00 C +ATOM 51 CA PRO A 51 249.447 244.415 246.189 1.00 0.00 C +ATOM 52 CA ALA A 52 251.061 247.012 248.463 1.00 0.00 C +ATOM 53 CA GLY A 53 254.734 248.021 248.433 1.00 0.00 C +ATOM 54 CA GLY A 54 256.959 244.946 248.095 1.00 0.00 C +ATOM 55 CA PRO A 55 258.286 241.559 249.228 1.00 0.00 C +ATOM 56 CA ASN A 56 257.057 238.245 250.648 1.00 0.00 C +ATOM 57 CA ARG A 57 253.519 237.544 251.877 1.00 0.00 C +ATOM 58 CA ASN A 58 251.742 240.276 253.852 1.00 0.00 C +ATOM 59 CA THR A 59 250.057 243.607 254.611 1.00 0.00 C +ATOM 60 CA THR A 60 248.793 243.520 258.204 1.00 0.00 C +ATOM 61 CA ALA A 61 245.673 243.701 260.383 1.00 0.00 C +ATOM 62 CA GLY A 62 242.868 246.256 260.040 1.00 0.00 C +ATOM 63 CA GLU A 63 242.612 250.037 260.438 1.00 0.00 C +ATOM 64 CA HIS A 64 241.831 253.525 259.120 1.00 0.00 C +ATOM 65 CA TYR A 65 242.155 257.266 259.766 1.00 0.00 C +ATOM 66 CA ASP A 66 244.318 260.155 260.987 1.00 0.00 C +ATOM 67 CA GLY A 67 245.769 263.073 259.013 1.00 0.00 C +ATOM 68 CA ARG A 68 247.695 264.707 256.161 1.00 0.00 C +ATOM 69 CA ILE A 69 250.735 266.866 255.377 1.00 0.00 C +ATOM 70 CA ALA A 70 252.829 268.954 257.779 1.00 0.00 C +ATOM 71 CA LEU A 71 252.864 272.626 258.793 1.00 0.00 C +ATOM 72 CA SER A 72 255.350 273.610 261.507 1.00 0.00 C +ATOM 73 CA LYS A 73 257.001 271.134 263.886 1.00 0.00 C +ATOM 74 CA ASN A 74 256.889 268.659 266.781 1.00 0.00 C +ATOM 75 CA ASN A 75 257.230 267.221 270.292 1.00 0.00 C +ATOM 76 CA SER A 76 258.507 266.064 273.690 1.00 0.00 C +ATOM 77 CA THR A 77 261.904 264.985 275.037 1.00 0.00 C +ATOM 78 CA ALA A 78 263.444 263.473 278.177 1.00 0.00 C +ATOM 79 CA GLU A 79 265.793 265.261 280.586 1.00 0.00 C +ATOM 80 CA GLY A 80 268.562 267.734 279.730 1.00 0.00 C +ATOM 81 CA SER A 81 270.524 267.821 276.465 1.00 0.00 C +ATOM 82 CA THR A 82 270.205 271.379 275.141 1.00 0.00 C +ATOM 83 CA THR A 83 269.985 274.654 277.076 1.00 0.00 C +ATOM 84 CA GLU A 84 272.030 275.289 280.228 1.00 0.00 C +ATOM 85 CA ARG A 85 275.228 273.256 280.622 1.00 0.00 C +ATOM 86 CA THR A 86 277.918 274.283 283.117 1.00 0.00 C +ATOM 87 CA ASN A 87 280.555 276.935 283.841 1.00 0.00 C +ATOM 88 CA SER A 88 282.951 279.188 281.917 1.00 0.00 C +ATOM 89 CA THR A 89 283.751 282.658 283.270 1.00 0.00 C +ATOM 90 CA ALA A 90 280.478 284.583 282.959 1.00 0.00 C +ATOM 91 CA GLU A 91 277.710 287.084 283.734 1.00 0.00 C +ATOM 92 CA GLY A 92 273.915 287.354 283.930 1.00 0.00 C +ATOM 93 CA GLN A 93 272.023 290.434 282.723 1.00 0.00 C +ATOM 94 CA HIS A 94 270.224 293.091 280.669 1.00 0.00 C +ATOM 95 CA ARG A 95 268.358 295.982 279.034 1.00 0.00 C +ATOM 96 CA ARG A 96 264.811 296.714 277.850 1.00 0.00 C +ATOM 97 CA ARG A 97 261.909 297.857 275.663 1.00 0.00 C +ATOM 98 CA THR A 98 261.506 297.216 271.929 1.00 0.00 C +ATOM 99 CA ALA A 99 262.932 293.759 271.201 1.00 0.00 C +ATOM 100 CA PRO A 100 261.693 290.243 270.413 1.00 0.00 C +ATOM 101 CA PRO A 101 263.997 287.569 268.980 1.00 0.00 C +ATOM 102 CA LYS A 102 263.556 284.066 270.413 1.00 0.00 C +ATOM 103 CA ASN A 103 265.731 281.600 272.338 1.00 0.00 C +ATOM 104 CA SER A 104 268.395 279.342 270.814 1.00 0.00 C +ATOM 105 CA THR A 105 267.376 276.504 268.486 1.00 0.00 C +ATOM 106 CA ALA A 106 268.828 277.066 265.009 1.00 0.00 C +ATOM 107 CA GLU A 107 269.776 274.144 262.754 1.00 0.00 C +ATOM 108 CA GLY A 108 267.407 271.722 261.012 1.00 0.00 C +ATOM 109 CA GLN A 109 263.719 272.644 261.251 1.00 0.00 C +ATOM 110 CA HIS A 110 261.587 271.446 258.329 1.00 0.00 C +ATOM 111 CA ARG A 111 260.413 269.584 255.220 1.00 0.00 C +ATOM 112 CA ARG A 112 258.942 269.550 251.706 1.00 0.00 C +ATOM 113 CA ARG A 113 258.492 266.265 249.829 1.00 0.00 C +ATOM 114 CA ILE A 114 261.247 265.441 247.330 1.00 0.00 C +ATOM 115 CA VAL A 115 262.084 266.488 243.764 1.00 0.00 C +ATOM 116 CA LEU A 116 261.176 266.825 240.079 1.00 0.00 C +ATOM 117 CA SER A 117 259.928 263.366 239.083 1.00 0.00 C +ATOM 118 CA VAL A 118 258.501 260.003 238.002 1.00 0.00 C +ATOM 119 CA SER A 119 255.060 259.268 239.464 1.00 0.00 C +ATOM 120 CA ILE A 120 252.623 258.885 242.367 1.00 0.00 C +ATOM 121 CA SER A 121 254.392 260.071 245.526 1.00 0.00 C +ATOM 122 CA ALA A 122 253.080 262.848 247.781 1.00 0.00 C +ATOM 123 CA LYS A 123 250.432 264.937 246.009 1.00 0.00 C +ATOM 124 CA ARG A 124 246.637 264.651 245.828 1.00 0.00 C +ATOM 125 CA HIS A 125 243.425 266.694 245.972 1.00 0.00 C +ATOM 126 CA HIS A 126 242.237 267.605 242.469 1.00 0.00 C +ATOM 127 CA CYS A 127 241.093 270.463 240.224 1.00 0.00 C +ATOM 128 CA ARG A 128 244.009 271.537 238.019 1.00 0.00 C +ATOM 129 CA THR A 129 246.889 271.510 235.526 1.00 0.00 C +ATOM 130 CA ALA A 130 249.901 269.944 237.256 1.00 0.00 C +ATOM 131 CA PRO A 131 251.576 266.582 236.620 1.00 0.00 C +ATOM 132 CA SER A 132 251.091 264.462 239.749 1.00 0.00 C +ATOM 133 CA PRO A 133 247.477 263.262 239.612 1.00 0.00 C +ATOM 134 CA ASN A 134 246.753 260.479 237.112 1.00 0.00 C +ATOM 135 CA GLU A 135 243.950 257.990 237.794 1.00 0.00 C +ATOM 136 CA THR A 136 242.061 255.551 235.558 1.00 0.00 C +ATOM 137 CA PRO A 137 243.420 255.224 232.014 1.00 0.00 C +ATOM 138 CA ILE A 138 241.181 252.910 229.977 1.00 0.00 C +ATOM 139 CA PRO A 139 238.740 253.184 227.064 1.00 0.00 C +ATOM 140 CA PRO A 140 235.678 255.348 227.739 1.00 0.00 C +ATOM 141 CA GLU A 141 234.572 256.597 224.313 1.00 0.00 C +ATOM 142 CA SER A 142 236.407 255.807 221.069 1.00 0.00 C +ATOM 143 CA ILE A 143 234.657 253.514 218.580 1.00 0.00 C +ATOM 144 CA ILE A 144 234.471 250.032 220.115 1.00 0.00 C +ATOM 145 CA THR A 145 237.260 247.609 221.046 1.00 0.00 C +ATOM 146 CA LYS A 146 240.886 248.701 221.462 1.00 0.00 C +ATOM 147 CA GLY A 147 243.768 247.653 219.202 1.00 0.00 C +ATOM 148 CA GLY A 148 243.969 244.982 216.493 1.00 0.00 C +ATOM 149 CA LYS A 149 246.010 243.778 213.509 1.00 0.00 C +ATOM 150 CA GLY A 150 249.035 242.131 211.880 1.00 0.00 C +ATOM 151 CA GLY A 151 248.469 242.399 208.122 1.00 0.00 C +ATOM 152 CA SER A 152 246.608 242.586 204.803 1.00 0.00 C +ATOM 153 CA GLY A 153 243.416 240.570 205.316 1.00 0.00 C +ATOM 154 CA ILE A 154 240.403 242.732 206.188 1.00 0.00 C +ATOM 155 CA PRO A 155 239.878 243.095 209.945 1.00 0.00 C +ATOM 156 CA LYS A 156 240.409 240.898 213.012 1.00 0.00 C +ATOM 157 CA PRO A 157 237.419 240.120 215.240 1.00 0.00 C +ATOM 158 CA THR A 158 234.478 239.092 213.046 1.00 0.00 C +ATOM 159 CA HIS A 159 234.679 240.078 209.371 1.00 0.00 C +ATOM 160 CA PHE A 160 233.276 237.987 206.512 1.00 0.00 C +TER 161 PHE A 160 +END diff --git a/Fungi/A0A3N4J4D4/A0A3N4J4D4.dcd b/Fungi/A0A3N4J4D4/A0A3N4J4D4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c12682eaeab4c0daaae6251d8277772826239658 --- /dev/null +++ b/Fungi/A0A3N4J4D4/A0A3N4J4D4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d84d0e152e5ee1563623254131af49c481e6901538c4451a6eb94784f71b0237 +size 7760276 diff --git a/Fungi/A0A3N4J4D4/top.pdb b/Fungi/A0A3N4J4D4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c1c88c3bf7ccc4c218c0abd06e886b4703eda029 --- /dev/null +++ b/Fungi/A0A3N4J4D4/top.pdb @@ -0,0 +1,62 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 239.455 254.920 251.973 1.00 0.00 C +ATOM 2 CA ARG A 2 239.269 252.851 248.779 1.00 0.00 C +ATOM 3 CA PRO A 3 236.129 251.486 247.108 1.00 0.00 C +ATOM 4 CA SER A 4 235.064 251.918 243.476 1.00 0.00 C +ATOM 5 CA SER A 5 236.195 254.283 240.711 1.00 0.00 C +ATOM 6 CA THR A 6 239.977 254.730 240.830 1.00 0.00 C +ATOM 7 CA LEU A 7 242.113 252.993 238.197 1.00 0.00 C +ATOM 8 CA ASN A 8 240.123 252.141 235.061 1.00 0.00 C +ATOM 9 CA HIS A 9 238.975 255.345 233.349 1.00 0.00 C +ATOM 10 CA PRO A 10 236.423 258.162 233.613 1.00 0.00 C +ATOM 11 CA LEU A 11 235.339 261.557 234.960 1.00 0.00 C +ATOM 12 CA GLN A 12 232.540 261.325 237.534 1.00 0.00 C +ATOM 13 CA ASN A 13 233.704 261.088 241.154 1.00 0.00 C +ATOM 14 CA PRO A 14 236.026 259.972 243.962 1.00 0.00 C +ATOM 15 CA LYS A 15 237.829 259.242 247.238 1.00 0.00 C +ATOM 16 CA PRO A 16 240.157 261.325 249.419 1.00 0.00 C +ATOM 17 CA ASP A 17 242.014 264.441 248.253 1.00 0.00 C +ATOM 18 CA HIS A 18 245.614 265.582 247.756 1.00 0.00 C +ATOM 19 CA PRO A 19 248.959 265.859 245.952 1.00 0.00 C +ATOM 20 CA LEU A 20 252.699 265.248 246.344 1.00 0.00 C +ATOM 21 CA ASN A 21 256.351 266.330 246.265 1.00 0.00 C +ATOM 22 CA ILE A 22 258.589 267.803 248.974 1.00 0.00 C +ATOM 23 CA GLN A 23 262.179 266.535 248.829 1.00 0.00 C +ATOM 24 CA TYR A 24 265.925 266.658 248.147 1.00 0.00 C +ATOM 25 CA LEU A 25 267.528 263.838 246.149 1.00 0.00 C +ATOM 26 CA PRO A 26 267.902 263.283 242.398 1.00 0.00 C +ATOM 27 CA VAL A 27 266.719 260.367 240.250 1.00 0.00 C +ATOM 28 CA HIS A 28 265.438 256.849 240.956 1.00 0.00 C +ATOM 29 CA PRO A 29 267.384 254.145 239.108 1.00 0.00 C +ATOM 30 CA ALA A 30 268.496 254.972 235.558 1.00 0.00 C +ATOM 31 CA LYS A 31 271.047 252.285 234.673 1.00 0.00 C +ATOM 32 CA SER A 32 273.948 249.827 234.433 1.00 0.00 C +ATOM 33 CA LYS A 33 273.017 246.853 236.626 1.00 0.00 C +ATOM 34 CA LYS A 34 269.652 245.987 238.189 1.00 0.00 C +ATOM 35 CA GLU A 35 266.441 245.520 240.185 1.00 0.00 C +ATOM 36 CA HIS A 36 266.049 242.402 242.340 1.00 0.00 C +ATOM 37 CA GLN A 37 265.335 241.904 246.049 1.00 0.00 C +ATOM 38 CA ALA A 38 262.802 239.153 246.778 1.00 0.00 C +ATOM 39 CA PRO A 39 260.009 238.945 249.360 1.00 0.00 C +ATOM 40 CA PRO A 40 256.383 238.015 250.073 1.00 0.00 C +ATOM 41 CA PRO A 41 253.128 237.788 248.107 1.00 0.00 C +ATOM 42 CA PRO A 42 250.753 235.576 250.103 1.00 0.00 C +ATOM 43 CA PRO A 43 248.315 236.112 252.982 1.00 0.00 C +ATOM 44 CA PRO A 44 245.563 237.344 255.311 1.00 0.00 C +ATOM 45 CA ILE A 45 243.836 240.291 253.624 1.00 0.00 C +ATOM 46 CA PRO A 46 243.432 243.522 255.602 1.00 0.00 C +ATOM 47 CA ARG A 47 244.816 243.539 259.151 1.00 0.00 C +ATOM 48 CA THR A 48 245.270 244.733 262.741 1.00 0.00 C +ATOM 49 CA GLN A 49 242.365 244.394 265.183 1.00 0.00 C +ATOM 50 CA ASN A 50 240.613 242.057 267.630 1.00 0.00 C +ATOM 51 CA PRO A 51 241.910 238.479 267.458 1.00 0.00 C +ATOM 52 CA ASN A 52 240.756 236.851 270.704 1.00 0.00 C +ATOM 53 CA GLN A 53 242.210 237.257 274.202 1.00 0.00 C +ATOM 54 CA LEU A 54 244.496 236.152 277.044 1.00 0.00 C +ATOM 55 CA TYR A 55 245.119 233.150 279.305 1.00 0.00 C +ATOM 56 CA ASN A 56 245.031 230.512 282.053 1.00 0.00 C +ATOM 57 CA PRO A 57 243.132 228.177 284.389 1.00 0.00 C +ATOM 58 CA GLU A 58 239.460 227.928 283.404 1.00 0.00 C +TER 59 GLU A 58 +END diff --git a/Fungi/A0A3N4JNB5/A0A3N4JNB5.dcd b/Fungi/A0A3N4JNB5/A0A3N4JNB5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..3957ce887227081230c5213267f11feeedff2cde --- /dev/null +++ b/Fungi/A0A3N4JNB5/A0A3N4JNB5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f546718ea4f667a12fcb8857969cb80fbe2aa9ef8789771ae98cd3e5f4507bef +size 21920276 diff --git a/Fungi/A0A3N4JNB5/top.pdb b/Fungi/A0A3N4JNB5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7522f80bada8a00cd6f73d04dd759e3be7c3e512 --- /dev/null +++ b/Fungi/A0A3N4JNB5/top.pdb @@ -0,0 +1,180 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 202.025 333.693 277.827 1.00 0.00 C +ATOM 2 CA SER A 2 202.315 331.986 274.433 1.00 0.00 C +ATOM 3 CA SER A 3 201.093 328.431 275.057 1.00 0.00 C +ATOM 4 CA GLY A 4 200.677 327.460 278.717 1.00 0.00 C +ATOM 5 CA TYR A 5 202.117 324.700 280.914 1.00 0.00 C +ATOM 6 CA VAL A 6 201.773 322.485 283.995 1.00 0.00 C +ATOM 7 CA TRP A 7 203.074 320.475 286.959 1.00 0.00 C +ATOM 8 CA THR A 8 205.991 320.093 289.379 1.00 0.00 C +ATOM 9 CA GLY A 9 205.555 316.776 291.201 1.00 0.00 C +ATOM 10 CA ARG A 10 208.246 315.304 293.462 1.00 0.00 C +ATOM 11 CA GLY A 11 211.072 314.601 295.918 1.00 0.00 C +ATOM 12 CA GLY A 12 212.784 311.530 297.386 1.00 0.00 C +ATOM 13 CA ALA A 13 216.593 311.473 297.414 1.00 0.00 C +ATOM 14 CA GLY A 14 218.974 311.546 294.440 1.00 0.00 C +ATOM 15 CA ASN A 15 222.346 309.842 293.948 1.00 0.00 C +ATOM 16 CA MET A 16 224.589 306.917 294.909 1.00 0.00 C +ATOM 17 CA ILE A 17 227.674 304.709 294.549 1.00 0.00 C +ATOM 18 CA SER A 18 227.782 302.618 291.366 1.00 0.00 C +ATOM 19 CA LYS A 19 228.837 301.035 288.065 1.00 0.00 C +ATOM 20 CA GLU A 20 228.332 299.444 284.640 1.00 0.00 C +ATOM 21 CA GLU A 21 231.021 297.428 282.846 1.00 0.00 C +ATOM 22 CA LEU A 22 229.345 294.263 281.544 1.00 0.00 C +ATOM 23 CA ARG A 23 227.976 290.752 280.982 1.00 0.00 C +ATOM 24 CA LYS A 24 229.772 288.002 282.912 1.00 0.00 C +ATOM 25 CA LYS A 25 227.119 285.731 284.435 1.00 0.00 C +ATOM 26 CA GLU A 26 228.620 282.388 285.476 1.00 0.00 C +ATOM 27 CA GLU A 27 230.182 279.473 287.369 1.00 0.00 C +ATOM 28 CA ASP A 28 233.525 277.822 286.587 1.00 0.00 C +ATOM 29 CA LEU A 29 236.252 277.015 289.124 1.00 0.00 C +ATOM 30 CA GLU A 30 238.366 275.858 292.074 1.00 0.00 C +ATOM 31 CA ALA A 31 242.137 276.233 291.681 1.00 0.00 C +ATOM 32 CA GLN A 32 243.789 273.089 290.300 1.00 0.00 C +ATOM 33 CA GLN A 33 246.878 271.615 291.974 1.00 0.00 C +ATOM 34 CA SER A 34 249.590 270.377 294.347 1.00 0.00 C +ATOM 35 CA LYS A 35 248.677 269.361 297.904 1.00 0.00 C +ATOM 36 CA SER A 36 246.164 269.548 300.761 1.00 0.00 C +ATOM 37 CA THR A 37 246.520 266.191 302.528 1.00 0.00 C +ATOM 38 CA GLY A 38 247.346 262.472 302.552 1.00 0.00 C +ATOM 39 CA SER A 39 250.455 261.296 304.414 1.00 0.00 C +ATOM 40 CA ALA A 40 249.966 259.231 307.578 1.00 0.00 C +ATOM 41 CA ASN A 41 247.215 256.910 308.826 1.00 0.00 C +ATOM 42 CA GLN A 42 246.654 254.496 305.932 1.00 0.00 C +ATOM 43 CA ILE A 43 245.517 255.999 302.621 1.00 0.00 C +ATOM 44 CA ALA A 44 248.471 255.593 300.248 1.00 0.00 C +ATOM 45 CA ALA A 45 249.274 258.493 297.911 1.00 0.00 C +ATOM 46 CA ASP A 46 251.221 257.704 294.733 1.00 0.00 C +ATOM 47 CA GLU A 47 253.634 254.761 294.911 1.00 0.00 C +ATOM 48 CA VAL A 48 256.662 253.900 292.764 1.00 0.00 C +ATOM 49 CA ALA A 49 258.087 255.843 289.813 1.00 0.00 C +ATOM 50 CA ALA A 50 257.369 258.993 287.795 1.00 0.00 C +ATOM 51 CA PRO A 51 254.961 261.535 289.298 1.00 0.00 C +ATOM 52 CA PRO A 52 254.255 265.233 289.886 1.00 0.00 C +ATOM 53 CA PRO A 53 250.485 265.779 289.813 1.00 0.00 C +ATOM 54 CA GLY A 54 248.351 265.259 286.700 1.00 0.00 C +ATOM 55 CA GLU A 55 247.774 261.990 284.831 1.00 0.00 C +ATOM 56 CA TYR A 56 250.558 260.431 282.749 1.00 0.00 C +ATOM 57 CA LYS A 57 250.775 261.129 279.009 1.00 0.00 C +ATOM 58 CA HIS A 58 247.937 259.091 277.489 1.00 0.00 C +ATOM 59 CA MET A 59 244.986 260.317 275.413 1.00 0.00 C +ATOM 60 CA GLY A 60 241.323 261.124 276.078 1.00 0.00 C +ATOM 61 CA ARG A 61 237.674 262.020 276.712 1.00 0.00 C +ATOM 62 CA GLY A 62 235.582 258.868 277.167 1.00 0.00 C +ATOM 63 CA GLY A 63 236.373 255.292 276.115 1.00 0.00 C +ATOM 64 CA ALA A 64 235.220 253.872 272.773 1.00 0.00 C +ATOM 65 CA GLY A 65 236.271 253.582 269.122 1.00 0.00 C +ATOM 66 CA ASN A 66 240.070 253.331 268.969 1.00 0.00 C +ATOM 67 CA TRP A 67 241.489 256.408 270.711 1.00 0.00 C +ATOM 68 CA PHE A 68 243.846 258.897 269.048 1.00 0.00 C +ATOM 69 CA GLN A 69 243.068 262.623 269.230 1.00 0.00 C +ATOM 70 CA PRO A 70 242.890 265.653 266.927 1.00 0.00 C +ATOM 71 CA ALA A 71 239.958 266.887 264.831 1.00 0.00 C +ATOM 72 CA GLU A 72 239.808 266.415 261.054 1.00 0.00 C +ATOM 73 CA LEU A 73 236.649 268.125 259.783 1.00 0.00 C +ATOM 74 CA ALA A 74 235.960 271.141 257.560 1.00 0.00 C +ATOM 75 CA ALA A 75 232.361 271.614 256.402 1.00 0.00 C +ATOM 76 CA GLN A 76 229.172 270.908 258.362 1.00 0.00 C +ATOM 77 CA GLY A 77 227.277 271.241 261.651 1.00 0.00 C +ATOM 78 CA VAL A 78 225.307 271.352 264.910 1.00 0.00 C +ATOM 79 CA THR A 79 223.803 273.016 267.989 1.00 0.00 C +ATOM 80 CA ILE A 80 225.091 273.361 271.559 1.00 0.00 C +ATOM 81 CA THR A 81 227.492 272.008 274.190 1.00 0.00 C +ATOM 82 CA ASP A 82 230.701 270.307 275.340 1.00 0.00 C +ATOM 83 CA THR A 83 232.832 267.149 275.298 1.00 0.00 C +ATOM 84 CA ALA A 84 231.018 263.931 274.366 1.00 0.00 C +ATOM 85 CA SER A 85 230.000 260.322 273.691 1.00 0.00 C +ATOM 86 CA ILE A 86 229.786 256.667 274.744 1.00 0.00 C +ATOM 87 CA ALA A 87 228.470 253.307 273.522 1.00 0.00 C +ATOM 88 CA PRO A 88 227.948 251.403 270.264 1.00 0.00 C +ATOM 89 CA THR A 89 228.068 247.607 270.569 1.00 0.00 C +ATOM 90 CA PRO A 90 230.063 245.217 268.373 1.00 0.00 C +ATOM 91 CA GLU A 91 233.502 245.232 266.734 1.00 0.00 C +ATOM 92 CA PRO A 92 236.139 245.720 264.027 1.00 0.00 C +ATOM 93 CA ALA A 93 238.991 244.269 261.959 1.00 0.00 C +ATOM 94 CA THR A 94 241.570 246.638 260.458 1.00 0.00 C +ATOM 95 CA GLU A 95 242.844 246.581 256.868 1.00 0.00 C +ATOM 96 CA LYS A 96 242.052 243.402 254.923 1.00 0.00 C +ATOM 97 CA GLN A 97 238.696 241.724 254.261 1.00 0.00 C +ATOM 98 CA ARG A 98 237.214 240.683 250.909 1.00 0.00 C +ATOM 99 CA PRO A 99 235.976 238.109 248.388 1.00 0.00 C +ATOM 100 CA VAL A 100 233.160 239.703 246.378 1.00 0.00 C +ATOM 101 CA SER A 101 234.421 242.691 244.379 1.00 0.00 C +ATOM 102 CA LEU A 102 237.101 244.241 242.158 1.00 0.00 C +ATOM 103 CA ARG A 103 235.557 246.624 239.618 1.00 0.00 C +ATOM 104 CA PRO A 104 237.988 249.445 238.813 1.00 0.00 C +ATOM 105 CA TRP A 105 239.724 249.478 235.421 1.00 0.00 C +ATOM 106 CA ARG A 106 239.311 249.912 231.659 1.00 0.00 C +ATOM 107 CA GLY A 107 237.250 248.391 228.839 1.00 0.00 C +ATOM 108 CA ARG A 108 238.106 244.682 228.670 1.00 0.00 C +ATOM 109 CA GLY A 109 237.465 241.017 227.848 1.00 0.00 C +ATOM 110 CA GLY A 110 233.880 240.385 226.725 1.00 0.00 C +ATOM 111 CA ALA A 111 233.346 242.320 223.486 1.00 0.00 C +ATOM 112 CA GLY A 112 233.122 241.879 219.708 1.00 0.00 C +ATOM 113 CA ASN A 113 233.992 238.993 217.378 1.00 0.00 C +ATOM 114 CA PHE A 114 234.585 239.698 213.681 1.00 0.00 C +ATOM 115 CA ALA A 115 236.869 237.505 211.562 1.00 0.00 C +ATOM 116 CA PRO A 116 236.692 233.710 211.848 1.00 0.00 C +ATOM 117 CA ASP A 117 239.772 231.933 213.216 1.00 0.00 C +ATOM 118 CA SER A 118 242.435 230.553 210.867 1.00 0.00 C +ATOM 119 CA GLU A 119 245.637 229.705 208.984 1.00 0.00 C +ATOM 120 CA GLU A 120 247.476 226.872 210.746 1.00 0.00 C +ATOM 121 CA ALA A 121 248.194 223.154 211.165 1.00 0.00 C +ATOM 122 CA GLN A 122 249.541 220.367 213.386 1.00 0.00 C +ATOM 123 CA ALA A 123 252.566 219.608 215.575 1.00 0.00 C +ATOM 124 CA THR A 124 254.006 222.839 216.991 1.00 0.00 C +ATOM 125 CA GLU A 125 256.971 224.126 219.007 1.00 0.00 C +ATOM 126 CA ARG A 126 260.351 225.883 218.972 1.00 0.00 C +ATOM 127 CA GLU A 127 263.930 227.192 218.980 1.00 0.00 C +ATOM 128 CA GLU A 128 265.714 227.737 222.302 1.00 0.00 C +ATOM 129 CA LEU A 129 268.987 226.448 223.766 1.00 0.00 C +ATOM 130 CA GLU A 130 270.422 222.976 223.130 1.00 0.00 C +ATOM 131 CA ARG A 131 273.616 222.533 221.102 1.00 0.00 C +ATOM 132 CA ASN A 132 274.885 220.817 217.946 1.00 0.00 C +ATOM 133 CA GLN A 133 276.592 220.227 214.591 1.00 0.00 C +ATOM 134 CA ARG A 134 278.031 217.689 212.141 1.00 0.00 C +ATOM 135 CA GLN A 135 278.888 218.330 208.485 1.00 0.00 C +ATOM 136 CA GLN A 136 281.189 221.366 208.571 1.00 0.00 C +ATOM 137 CA GLN A 137 283.992 222.786 210.725 1.00 0.00 C +ATOM 138 CA GLN A 138 287.279 223.809 212.357 1.00 0.00 C +ATOM 139 CA GLU A 139 289.913 221.095 212.820 1.00 0.00 C +ATOM 140 CA GLU A 140 291.964 218.425 214.603 1.00 0.00 C +ATOM 141 CA ALA A 141 289.869 215.246 214.744 1.00 0.00 C +ATOM 142 CA GLU A 142 287.074 213.863 216.932 1.00 0.00 C +ATOM 143 CA VAL A 143 284.647 211.020 216.195 1.00 0.00 C +ATOM 144 CA ARG A 144 284.556 207.251 215.648 1.00 0.00 C +ATOM 145 CA ALA A 145 282.593 204.015 215.205 1.00 0.00 C +ATOM 146 CA SER A 146 278.990 202.886 215.709 1.00 0.00 C +ATOM 147 CA VAL A 147 275.187 202.646 215.700 1.00 0.00 C +ATOM 148 CA ASP A 148 274.276 201.304 212.252 1.00 0.00 C +ATOM 149 CA SER A 149 276.631 200.953 209.278 1.00 0.00 C +ATOM 150 CA THR A 150 275.356 201.050 205.689 1.00 0.00 C +ATOM 151 CA LEU A 151 275.008 203.407 202.715 1.00 0.00 C +ATOM 152 CA SER A 152 273.658 206.952 203.068 1.00 0.00 C +ATOM 153 CA LYS A 153 270.652 207.579 200.814 1.00 0.00 C +ATOM 154 CA PRO A 154 270.535 204.782 198.229 1.00 0.00 C +ATOM 155 CA SER A 155 270.803 205.634 194.525 1.00 0.00 C +ATOM 156 CA GLN A 156 274.078 205.679 192.579 1.00 0.00 C +ATOM 157 CA ALA A 157 277.569 204.151 192.580 1.00 0.00 C +ATOM 158 CA HIS A 158 281.277 205.023 192.529 1.00 0.00 C +ATOM 159 CA MET A 159 283.016 202.657 190.102 1.00 0.00 C +ATOM 160 CA LYS A 160 284.096 203.226 186.492 1.00 0.00 C +ATOM 161 CA THR A 161 285.487 206.760 186.189 1.00 0.00 C +ATOM 162 CA GLY A 162 288.023 207.418 188.954 1.00 0.00 C +ATOM 163 CA GLU A 163 291.173 205.286 189.178 1.00 0.00 C +ATOM 164 CA LYS A 164 294.685 204.459 187.953 1.00 0.00 C +ATOM 165 CA GLY A 165 297.769 206.110 186.444 1.00 0.00 C +ATOM 166 CA TRP A 166 299.256 209.500 187.346 1.00 0.00 C +ATOM 167 CA ASP A 167 301.180 211.969 189.518 1.00 0.00 C +ATOM 168 CA VAL A 168 302.177 212.070 193.194 1.00 0.00 C +ATOM 169 CA THR A 169 305.233 214.165 194.079 1.00 0.00 C +ATOM 170 CA GLY A 170 307.710 211.674 195.555 1.00 0.00 C +ATOM 171 CA TRP A 171 308.089 208.768 193.121 1.00 0.00 C +ATOM 172 CA LYS A 172 311.586 207.255 193.111 1.00 0.00 C +ATOM 173 CA GLU A 173 311.838 203.462 192.848 1.00 0.00 C +ATOM 174 CA ALA A 174 313.675 200.716 194.746 1.00 0.00 C +ATOM 175 CA GLY A 175 312.500 197.215 193.810 1.00 0.00 C +ATOM 176 CA LEU A 176 312.539 193.982 195.826 1.00 0.00 C +TER 177 LEU A 176 +END diff --git a/Fungi/A0A3N4JQK2/A0A3N4JQK2.dcd b/Fungi/A0A3N4JQK2/A0A3N4JQK2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..ffa94481049a25a969e892a3c71082460b4e5cd8 --- /dev/null +++ b/Fungi/A0A3N4JQK2/A0A3N4JQK2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c3f4b41f33c15cabed24877b8390e069199815f5ee5e49150c6c81c3b9eb654e +size 8000276 diff --git a/Fungi/A0A3N4JQK2/top.pdb b/Fungi/A0A3N4JQK2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..da513aa9fd5ecda31877fc7348c94aa6967d1240 --- /dev/null +++ b/Fungi/A0A3N4JQK2/top.pdb @@ -0,0 +1,64 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 236.730 250.138 229.959 1.00 0.00 C +ATOM 2 CA LEU A 2 234.515 253.150 230.690 1.00 0.00 C +ATOM 3 CA GLU A 3 232.920 255.723 233.003 1.00 0.00 C +ATOM 4 CA ASN A 4 229.496 257.282 232.399 1.00 0.00 C +ATOM 5 CA LEU A 5 229.097 260.914 231.318 1.00 0.00 C +ATOM 6 CA SER A 6 230.511 264.358 232.127 1.00 0.00 C +ATOM 7 CA ASP A 7 230.518 267.172 234.695 1.00 0.00 C +ATOM 8 CA PHE A 8 233.999 266.999 236.234 1.00 0.00 C +ATOM 9 CA HIS A 9 237.272 268.820 236.928 1.00 0.00 C +ATOM 10 CA ARG A 10 240.257 270.640 238.443 1.00 0.00 C +ATOM 11 CA GLY A 11 242.622 273.610 238.119 1.00 0.00 C +ATOM 12 CA PRO A 12 242.626 274.658 234.455 1.00 0.00 C +ATOM 13 CA PRO A 13 242.728 271.938 231.789 1.00 0.00 C +ATOM 14 CA SER A 14 244.630 273.442 228.850 1.00 0.00 C +ATOM 15 CA SER A 15 246.851 274.836 226.086 1.00 0.00 C +ATOM 16 CA PRO A 16 250.366 273.367 226.169 1.00 0.00 C +ATOM 17 CA THR A 17 251.305 271.114 223.244 1.00 0.00 C +ATOM 18 CA PRO A 18 251.749 267.368 222.706 1.00 0.00 C +ATOM 19 CA LYS A 19 251.758 265.531 226.044 1.00 0.00 C +ATOM 20 CA ARG A 20 255.361 265.610 227.281 1.00 0.00 C +ATOM 21 CA LYS A 21 256.279 266.334 230.907 1.00 0.00 C +ATOM 22 CA GLN A 22 254.432 266.665 234.223 1.00 0.00 C +ATOM 23 CA GLN A 23 250.769 266.182 233.296 1.00 0.00 C +ATOM 24 CA VAL A 24 248.367 263.256 232.865 1.00 0.00 C +ATOM 25 CA GLY A 25 246.765 261.021 235.503 1.00 0.00 C +ATOM 26 CA SER A 26 245.246 258.124 237.456 1.00 0.00 C +ATOM 27 CA ARG A 27 243.586 255.269 239.357 1.00 0.00 C +ATOM 28 CA SER A 28 245.859 253.482 241.838 1.00 0.00 C +ATOM 29 CA SER A 29 243.807 250.485 242.988 1.00 0.00 C +ATOM 30 CA PRO A 30 241.514 248.068 244.837 1.00 0.00 C +ATOM 31 CA PRO A 31 241.157 244.515 243.510 1.00 0.00 C +ATOM 32 CA PRO A 32 241.011 241.201 245.384 1.00 0.00 C +ATOM 33 CA PRO A 33 243.945 238.948 244.470 1.00 0.00 C +ATOM 34 CA LYS A 34 245.243 236.633 247.203 1.00 0.00 C +ATOM 35 CA GLN A 35 244.770 238.232 250.629 1.00 0.00 C +ATOM 36 CA ARG A 36 245.704 237.515 254.252 1.00 0.00 C +ATOM 37 CA GLN A 37 248.994 238.000 256.111 1.00 0.00 C +ATOM 38 CA LYS A 38 249.646 235.530 258.938 1.00 0.00 C +ATOM 39 CA GLY A 39 247.727 232.391 257.949 1.00 0.00 C +ATOM 40 CA PHE A 40 250.165 230.176 256.034 1.00 0.00 C +ATOM 41 CA THR A 41 253.172 228.396 257.552 1.00 0.00 C +ATOM 42 CA LEU A 42 256.197 230.712 257.520 1.00 0.00 C +ATOM 43 CA GLY A 43 258.241 233.925 257.630 1.00 0.00 C +ATOM 44 CA SER A 44 257.734 237.200 259.511 1.00 0.00 C +ATOM 45 CA ARG A 45 256.245 238.937 262.557 1.00 0.00 C +ATOM 46 CA GLY A 46 258.742 238.938 265.435 1.00 0.00 C +ATOM 47 CA ASP A 47 262.080 239.751 263.788 1.00 0.00 C +ATOM 48 CA ASN A 48 264.601 237.126 264.914 1.00 0.00 C +ATOM 49 CA GLY A 49 264.059 234.236 267.337 1.00 0.00 C +ATOM 50 CA HIS A 50 264.224 232.833 270.875 1.00 0.00 C +ATOM 51 CA PRO A 51 265.629 235.453 273.259 1.00 0.00 C +ATOM 52 CA PRO A 52 267.923 235.251 276.294 1.00 0.00 C +ATOM 53 CA GLY A 53 269.109 233.746 279.587 1.00 0.00 C +ATOM 54 CA TRP A 54 266.196 233.308 282.003 1.00 0.00 C +ATOM 55 CA ARG A 55 266.916 235.129 285.271 1.00 0.00 C +ATOM 56 CA ILE A 56 266.753 233.902 288.875 1.00 0.00 C +ATOM 57 CA CYS A 57 266.217 234.479 292.603 1.00 0.00 C +ATOM 58 CA GLY A 58 264.209 237.121 294.473 1.00 0.00 C +ATOM 59 CA SER A 59 262.452 240.397 295.308 1.00 0.00 C +ATOM 60 CA GLY A 60 259.000 240.464 296.919 1.00 0.00 C +TER 61 GLY A 60 +END diff --git a/Fungi/A0A3N4LC30/A0A3N4LC30.dcd b/Fungi/A0A3N4LC30/A0A3N4LC30.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d64f46337740475949ddfaa4d1a452c39a52ecd3 --- /dev/null +++ b/Fungi/A0A3N4LC30/A0A3N4LC30.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9ffd30dda758ed1f62cc57354c33b44ee72d8fbb9719dabde6ee032b2924072f +size 15080276 diff --git a/Fungi/A0A3N4LC30/top.pdb b/Fungi/A0A3N4LC30/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..43e9aa24678a1da1271cb5ce16a0cf682ca0c4dc --- /dev/null +++ b/Fungi/A0A3N4LC30/top.pdb @@ -0,0 +1,123 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 259.410 229.906 224.314 1.00 0.00 C +ATOM 2 CA PRO A 2 257.310 232.576 222.590 1.00 0.00 C +ATOM 3 CA SER A 3 258.051 234.943 219.698 1.00 0.00 C +ATOM 4 CA PRO A 4 256.480 238.332 220.447 1.00 0.00 C +ATOM 5 CA THR A 5 255.459 238.130 224.112 1.00 0.00 C +ATOM 6 CA ARG A 6 256.796 238.903 227.595 1.00 0.00 C +ATOM 7 CA ARG A 7 260.596 238.738 227.812 1.00 0.00 C +ATOM 8 CA THR A 8 262.819 241.361 226.169 1.00 0.00 C +ATOM 9 CA ALA A 9 261.351 242.822 222.971 1.00 0.00 C +ATOM 10 CA GLN A 10 263.696 242.011 220.080 1.00 0.00 C +ATOM 11 CA ARG A 11 267.181 243.272 220.961 1.00 0.00 C +ATOM 12 CA HIS A 12 267.541 246.138 223.446 1.00 0.00 C +ATOM 13 CA THR A 13 269.054 245.569 226.896 1.00 0.00 C +ATOM 14 CA PRO A 14 271.408 243.818 229.326 1.00 0.00 C +ATOM 15 CA ALA A 15 270.080 240.457 230.534 1.00 0.00 C +ATOM 16 CA ALA A 16 267.516 237.759 231.346 1.00 0.00 C +ATOM 17 CA GLY A 17 267.285 233.957 231.302 1.00 0.00 C +ATOM 18 CA SER A 18 265.730 230.487 231.545 1.00 0.00 C +ATOM 19 CA LYS A 19 268.727 228.135 231.501 1.00 0.00 C +ATOM 20 CA ASP A 20 271.601 229.070 229.181 1.00 0.00 C +ATOM 21 CA GLY A 21 275.212 229.487 228.038 1.00 0.00 C +ATOM 22 CA LYS A 22 277.273 226.317 228.510 1.00 0.00 C +ATOM 23 CA ALA A 23 277.146 223.290 230.820 1.00 0.00 C +ATOM 24 CA GLY A 24 276.573 223.901 234.537 1.00 0.00 C +ATOM 25 CA GLY A 25 275.685 227.439 235.638 1.00 0.00 C +ATOM 26 CA ARG A 26 273.895 228.884 238.675 1.00 0.00 C +ATOM 27 CA GLN A 27 270.850 231.082 238.032 1.00 0.00 C +ATOM 28 CA ALA A 28 267.336 231.845 239.293 1.00 0.00 C +ATOM 29 CA GLY A 29 266.933 232.834 242.951 1.00 0.00 C +ATOM 30 CA THR A 30 269.115 234.128 245.793 1.00 0.00 C +ATOM 31 CA THR A 31 268.813 234.974 249.495 1.00 0.00 C +ATOM 32 CA LEU A 32 269.736 238.153 251.381 1.00 0.00 C +ATOM 33 CA HIS A 33 272.756 238.028 253.701 1.00 0.00 C +ATOM 34 CA LEU A 34 273.589 237.350 257.356 1.00 0.00 C +ATOM 35 CA PRO A 35 272.704 240.470 259.355 1.00 0.00 C +ATOM 36 CA PRO A 36 275.321 243.234 259.526 1.00 0.00 C +ATOM 37 CA GLY A 37 275.640 244.056 263.232 1.00 0.00 C +ATOM 38 CA ARG A 38 272.540 242.714 264.994 1.00 0.00 C +ATOM 39 CA GLY A 39 272.437 238.952 265.585 1.00 0.00 C +ATOM 40 CA ARG A 40 271.688 235.767 267.537 1.00 0.00 C +ATOM 41 CA ARG A 41 269.868 232.763 269.014 1.00 0.00 C +ATOM 42 CA SER A 42 270.839 229.349 270.398 1.00 0.00 C +ATOM 43 CA GLY A 43 271.230 226.416 267.998 1.00 0.00 C +ATOM 44 CA THR A 44 272.190 224.532 264.828 1.00 0.00 C +ATOM 45 CA HIS A 45 269.454 224.524 262.177 1.00 0.00 C +ATOM 46 CA ARG A 46 267.153 227.540 262.538 1.00 0.00 C +ATOM 47 CA GLY A 47 268.015 231.145 263.418 1.00 0.00 C +ATOM 48 CA GLU A 48 265.559 234.033 263.041 1.00 0.00 C +ATOM 49 CA ARG A 49 265.054 235.537 259.577 1.00 0.00 C +ATOM 50 CA GLY A 50 264.858 236.409 255.873 1.00 0.00 C +ATOM 51 CA ALA A 51 261.851 234.442 254.605 1.00 0.00 C +ATOM 52 CA ARG A 52 258.699 236.313 253.567 1.00 0.00 C +ATOM 53 CA ARG A 53 256.305 234.726 251.063 1.00 0.00 C +ATOM 54 CA MET A 54 253.714 232.130 252.095 1.00 0.00 C +ATOM 55 CA ALA A 55 253.737 231.480 255.849 1.00 0.00 C +ATOM 56 CA GLY A 56 252.201 230.859 259.280 1.00 0.00 C +ATOM 57 CA VAL A 57 251.612 227.133 259.813 1.00 0.00 C +ATOM 58 CA GLY A 58 249.111 225.522 257.433 1.00 0.00 C +ATOM 59 CA GLY A 59 248.399 225.250 253.700 1.00 0.00 C +ATOM 60 CA SER A 60 245.832 227.166 251.637 1.00 0.00 C +ATOM 61 CA GLY A 61 246.748 230.685 250.500 1.00 0.00 C +ATOM 62 CA LEU A 62 244.658 233.853 250.166 1.00 0.00 C +ATOM 63 CA SER A 63 241.961 235.382 247.952 1.00 0.00 C +ATOM 64 CA ARG A 64 238.750 236.241 249.813 1.00 0.00 C +ATOM 65 CA SER A 65 238.565 239.481 251.810 1.00 0.00 C +ATOM 66 CA VAL A 66 241.771 240.466 253.617 1.00 0.00 C +ATOM 67 CA GLY A 67 244.083 241.650 250.830 1.00 0.00 C +ATOM 68 CA ASP A 68 242.468 244.093 248.393 1.00 0.00 C +ATOM 69 CA LEU A 69 239.534 243.844 245.975 1.00 0.00 C +ATOM 70 CA TRP A 70 236.252 241.910 245.930 1.00 0.00 C +ATOM 71 CA ASP A 71 233.118 240.086 247.102 1.00 0.00 C +ATOM 72 CA ARG A 72 229.939 242.170 246.838 1.00 0.00 C +ATOM 73 CA ALA A 73 227.952 245.165 245.574 1.00 0.00 C +ATOM 74 CA GLN A 74 225.891 248.320 245.017 1.00 0.00 C +ATOM 75 CA ARG A 75 222.288 249.505 245.378 1.00 0.00 C +ATOM 76 CA PRO A 76 221.285 251.489 248.472 1.00 0.00 C +ATOM 77 CA GLY A 77 219.472 253.297 251.293 1.00 0.00 C +ATOM 78 CA ARG A 78 215.754 252.901 250.563 1.00 0.00 C +ATOM 79 CA ARG A 79 212.299 254.201 251.507 1.00 0.00 C +ATOM 80 CA ASP A 80 212.537 257.538 253.331 1.00 0.00 C +ATOM 81 CA HIS A 81 211.256 260.695 255.035 1.00 0.00 C +ATOM 82 CA THR A 82 213.336 261.603 258.095 1.00 0.00 C +ATOM 83 CA PHE A 83 217.027 261.068 257.317 1.00 0.00 C +ATOM 84 CA LEU A 84 219.563 263.618 258.576 1.00 0.00 C +ATOM 85 CA LEU A 85 220.668 265.753 255.620 1.00 0.00 C +ATOM 86 CA MET A 86 222.032 267.139 252.343 1.00 0.00 C +ATOM 87 CA GLU A 87 223.742 267.048 248.940 1.00 0.00 C +ATOM 88 CA GLU A 88 223.407 270.282 246.955 1.00 0.00 C +ATOM 89 CA GLY A 89 223.453 274.092 246.932 1.00 0.00 C +ATOM 90 CA THR A 90 225.074 277.509 246.468 1.00 0.00 C +ATOM 91 CA GLY A 91 227.224 280.642 246.192 1.00 0.00 C +ATOM 92 CA GLY A 92 229.965 283.287 246.281 1.00 0.00 C +ATOM 93 CA THR A 93 231.051 284.865 249.574 1.00 0.00 C +ATOM 94 CA HIS A 94 232.247 285.738 253.085 1.00 0.00 C +ATOM 95 CA THR A 95 229.948 286.324 256.065 1.00 0.00 C +ATOM 96 CA CYS A 96 227.515 288.674 257.819 1.00 0.00 C +ATOM 97 CA ARG A 97 224.336 289.790 259.597 1.00 0.00 C +ATOM 98 CA GLN A 98 224.567 291.730 262.868 1.00 0.00 C +ATOM 99 CA GLU A 99 226.379 290.736 266.069 1.00 0.00 C +ATOM 100 CA GLY A 100 230.134 291.166 266.550 1.00 0.00 C +ATOM 101 CA GLY A 101 231.811 287.774 266.104 1.00 0.00 C +ATOM 102 CA GLU A 102 234.704 287.339 263.663 1.00 0.00 C +ATOM 103 CA GLY A 103 237.259 284.540 264.064 1.00 0.00 C +ATOM 104 CA ASP A 104 240.002 282.311 265.485 1.00 0.00 C +ATOM 105 CA HIS A 105 243.254 284.287 265.285 1.00 0.00 C +ATOM 106 CA ARG A 106 244.950 282.983 262.133 1.00 0.00 C +ATOM 107 CA SER A 107 243.962 279.685 260.501 1.00 0.00 C +ATOM 108 CA SER A 108 243.599 277.207 257.630 1.00 0.00 C +ATOM 109 CA PRO A 109 243.873 273.530 258.591 1.00 0.00 C +ATOM 110 CA PRO A 110 243.694 270.640 261.067 1.00 0.00 C +ATOM 111 CA LEU A 111 242.715 271.821 264.554 1.00 0.00 C +ATOM 112 CA PRO A 112 244.852 273.963 266.870 1.00 0.00 C +ATOM 113 CA ASN A 113 246.817 277.003 265.680 1.00 0.00 C +ATOM 114 CA CYS A 114 250.446 278.161 265.705 1.00 0.00 C +ATOM 115 CA ILE A 115 253.423 275.954 266.592 1.00 0.00 C +ATOM 116 CA PRO A 116 254.311 272.490 265.277 1.00 0.00 C +ATOM 117 CA GLU A 117 258.002 271.548 265.214 1.00 0.00 C +ATOM 118 CA ARG A 118 261.596 272.665 264.622 1.00 0.00 C +ATOM 119 CA TRP A 119 263.466 275.504 266.343 1.00 0.00 C +TER 120 TRP A 119 +END diff --git a/Fungi/A0A3N4LUG3/A0A3N4LUG3.dcd b/Fungi/A0A3N4LUG3/A0A3N4LUG3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f85043044b80471ffc692d5277dc81971ca275dd --- /dev/null +++ b/Fungi/A0A3N4LUG3/A0A3N4LUG3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:93cfcf894fb1549cf93bbf560cf622881eefeca1cdba11c922dde3feb2e6369d +size 39540276 diff --git a/Fungi/A0A3N4LUG3/top.pdb b/Fungi/A0A3N4LUG3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..6b16cbaaafc255feb0f655456ef17f5877beb3a1 --- /dev/null +++ b/Fungi/A0A3N4LUG3/top.pdb @@ -0,0 +1,217 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 237.190 246.147 240.904 1.00 0.00 C +ATOM 2 CA SER A 2 235.882 247.648 237.655 1.00 0.00 C +ATOM 3 CA ARG A 3 236.787 245.600 234.573 1.00 0.00 C +ATOM 4 CA SER A 4 237.075 246.206 230.822 1.00 0.00 C +ATOM 5 CA PRO A 5 237.602 248.336 227.707 1.00 0.00 C +ATOM 6 CA SER A 6 239.718 251.060 226.089 1.00 0.00 C +ATOM 7 CA THR A 7 238.626 253.857 223.744 1.00 0.00 C +ATOM 8 CA GLN A 8 236.751 254.597 220.510 1.00 0.00 C +ATOM 9 CA THR A 9 234.821 253.347 217.473 1.00 0.00 C +ATOM 10 CA ALA A 10 231.771 251.228 218.327 1.00 0.00 C +ATOM 11 CA ARG A 11 231.229 248.351 220.765 1.00 0.00 C +ATOM 12 CA PRO A 12 231.297 244.550 220.507 1.00 0.00 C +ATOM 13 CA THR A 13 233.968 243.854 217.882 1.00 0.00 C +ATOM 14 CA SER A 14 235.031 244.706 214.323 1.00 0.00 C +ATOM 15 CA GLN A 15 237.277 247.724 213.716 1.00 0.00 C +ATOM 16 CA ALA A 16 240.892 246.694 213.098 1.00 0.00 C +ATOM 17 CA SER A 17 243.709 244.552 211.686 1.00 0.00 C +ATOM 18 CA PHE A 18 245.698 242.001 209.673 1.00 0.00 C +ATOM 19 CA GLN A 19 248.488 240.884 207.331 1.00 0.00 C +ATOM 20 CA PRO A 20 249.025 237.144 207.823 1.00 0.00 C +ATOM 21 CA PRO A 21 246.081 235.143 206.466 1.00 0.00 C +ATOM 22 CA ALA A 22 244.365 234.352 203.157 1.00 0.00 C +ATOM 23 CA ARG A 23 245.761 231.092 201.764 1.00 0.00 C +ATOM 24 CA PHE A 24 242.828 228.661 201.761 1.00 0.00 C +ATOM 25 CA ALA A 25 240.556 226.638 204.055 1.00 0.00 C +ATOM 26 CA ASN A 26 239.301 224.386 206.860 1.00 0.00 C +ATOM 27 CA THR A 27 236.813 221.645 205.958 1.00 0.00 C +ATOM 28 CA THR A 28 233.948 219.310 206.885 1.00 0.00 C +ATOM 29 CA SER A 29 233.713 215.710 205.660 1.00 0.00 C +ATOM 30 CA HIS A 30 235.609 213.423 203.274 1.00 0.00 C +ATOM 31 CA GLN A 31 237.527 215.811 201.007 1.00 0.00 C +ATOM 32 CA PRO A 32 240.990 217.030 202.026 1.00 0.00 C +ATOM 33 CA GLN A 33 242.628 220.082 203.614 1.00 0.00 C +ATOM 34 CA GLN A 34 245.480 219.160 205.966 1.00 0.00 C +ATOM 35 CA GLN A 35 248.322 218.158 208.297 1.00 0.00 C +ATOM 36 CA PRO A 36 251.743 219.606 209.144 1.00 0.00 C +ATOM 37 CA GLN A 37 254.690 217.453 208.052 1.00 0.00 C +ATOM 38 CA GLN A 38 258.139 216.321 206.894 1.00 0.00 C +ATOM 39 CA PRO A 39 261.622 217.757 206.326 1.00 0.00 C +ATOM 40 CA GLN A 40 262.714 220.825 204.349 1.00 0.00 C +ATOM 41 CA TYR A 41 266.380 220.696 203.318 1.00 0.00 C +ATOM 42 CA ASP A 42 268.338 220.545 206.582 1.00 0.00 C +ATOM 43 CA LEU A 43 268.240 219.043 210.083 1.00 0.00 C +ATOM 44 CA ARG A 44 268.144 221.555 212.946 1.00 0.00 C +ATOM 45 CA ASN A 45 268.931 220.837 216.605 1.00 0.00 C +ATOM 46 CA SER A 46 270.805 218.518 218.977 1.00 0.00 C +ATOM 47 CA ALA A 47 273.886 216.495 219.940 1.00 0.00 C +ATOM 48 CA ALA A 48 276.383 215.819 222.737 1.00 0.00 C +ATOM 49 CA VAL A 49 278.475 212.669 222.268 1.00 0.00 C +ATOM 50 CA PRO A 50 282.198 213.102 222.949 1.00 0.00 C +ATOM 51 CA VAL A 51 285.053 212.979 220.429 1.00 0.00 C +ATOM 52 CA ALA A 52 285.428 213.662 216.699 1.00 0.00 C +ATOM 53 CA GLY A 53 284.205 216.616 214.627 1.00 0.00 C +ATOM 54 CA ARG A 54 282.114 219.590 213.485 1.00 0.00 C +ATOM 55 CA ILE A 55 281.247 223.156 212.462 1.00 0.00 C +ATOM 56 CA TYR A 56 280.182 226.804 212.197 1.00 0.00 C +ATOM 57 CA SER A 57 279.248 230.180 213.695 1.00 0.00 C +ATOM 58 CA SER A 58 277.686 233.014 215.707 1.00 0.00 C +ATOM 59 CA ALA A 59 279.741 234.224 218.679 1.00 0.00 C +ATOM 60 CA CYS A 60 282.675 231.821 219.039 1.00 0.00 C +ATOM 61 CA SER A 61 286.480 231.762 219.224 1.00 0.00 C +ATOM 62 CA SER A 62 289.084 230.676 221.784 1.00 0.00 C +ATOM 63 CA GLY A 63 289.166 227.066 222.998 1.00 0.00 C +ATOM 64 CA ASP A 64 287.713 225.078 225.906 1.00 0.00 C +ATOM 65 CA GLY A 65 289.676 222.187 227.423 1.00 0.00 C +ATOM 66 CA ASP A 66 289.861 222.026 231.225 1.00 0.00 C +ATOM 67 CA ASP A 67 289.547 225.497 232.764 1.00 0.00 C +ATOM 68 CA ASP A 68 291.026 229.000 232.525 1.00 0.00 C +ATOM 69 CA ASP A 69 288.316 231.622 231.980 1.00 0.00 C +ATOM 70 CA ASP A 70 288.555 235.359 232.681 1.00 0.00 C +ATOM 71 CA SER A 71 289.661 238.757 234.003 1.00 0.00 C +ATOM 72 CA ASP A 72 293.316 239.829 233.916 1.00 0.00 C +ATOM 73 CA SER A 73 295.136 240.834 237.108 1.00 0.00 C +ATOM 74 CA ASP A 74 293.390 239.973 240.383 1.00 0.00 C +ATOM 75 CA GLY A 75 290.681 239.670 243.045 1.00 0.00 C +ATOM 76 CA SER A 76 289.133 240.456 246.437 1.00 0.00 C +ATOM 77 CA ILE A 77 288.907 238.875 249.896 1.00 0.00 C +ATOM 78 CA MET A 78 287.912 240.904 252.963 1.00 0.00 C +ATOM 79 CA GLY A 79 287.051 238.601 255.874 1.00 0.00 C +ATOM 80 CA LEU A 80 289.021 239.069 259.102 1.00 0.00 C +ATOM 81 CA SER A 81 288.259 238.869 262.829 1.00 0.00 C +ATOM 82 CA LYS A 82 284.862 240.434 263.555 1.00 0.00 C +ATOM 83 CA ARG A 83 281.853 240.740 265.872 1.00 0.00 C +ATOM 84 CA LYS A 84 281.397 242.274 269.330 1.00 0.00 C +ATOM 85 CA GLY A 85 281.652 245.092 271.881 1.00 0.00 C +ATOM 86 CA LYS A 86 280.670 244.833 275.553 1.00 0.00 C +ATOM 87 CA SER A 87 279.564 248.351 276.510 1.00 0.00 C +ATOM 88 CA ALA A 88 277.861 250.265 273.690 1.00 0.00 C +ATOM 89 CA GLY A 89 275.145 247.984 272.298 1.00 0.00 C +ATOM 90 CA GLY A 90 271.375 247.913 272.842 1.00 0.00 C +ATOM 91 CA GLY A 91 267.614 248.192 272.301 1.00 0.00 C +ATOM 92 CA LEU A 92 264.711 245.990 273.415 1.00 0.00 C +ATOM 93 CA PHE A 93 263.339 244.916 276.803 1.00 0.00 C +ATOM 94 CA GLY A 94 262.825 241.822 278.966 1.00 0.00 C +ATOM 95 CA GLU A 95 262.493 239.246 281.754 1.00 0.00 C +ATOM 96 CA ASP A 96 261.379 238.816 285.372 1.00 0.00 C +ATOM 97 CA GLU A 97 259.805 240.536 288.385 1.00 0.00 C +ATOM 98 CA ASP A 98 257.486 241.297 291.310 1.00 0.00 C +ATOM 99 CA ALA A 99 255.042 243.899 292.642 1.00 0.00 C +ATOM 100 CA GLU A 100 254.917 246.015 295.808 1.00 0.00 C +ATOM 101 CA GLU A 101 252.924 249.260 295.898 1.00 0.00 C +ATOM 102 CA GLU A 102 253.310 252.858 294.704 1.00 0.00 C +ATOM 103 CA GLU A 103 250.748 255.619 295.273 1.00 0.00 C +ATOM 104 CA ILE A 104 246.940 255.723 295.209 1.00 0.00 C +ATOM 105 CA TYR A 105 245.858 256.960 291.771 1.00 0.00 C +ATOM 106 CA LEU A 106 244.949 254.434 289.068 1.00 0.00 C +ATOM 107 CA PRO A 107 243.604 253.825 285.556 1.00 0.00 C +ATOM 108 CA PHE A 108 244.646 255.980 282.592 1.00 0.00 C +ATOM 109 CA SER A 109 247.600 255.791 280.192 1.00 0.00 C +ATOM 110 CA ARG A 110 248.038 257.672 276.908 1.00 0.00 C +ATOM 111 CA ALA A 111 250.356 258.689 274.061 1.00 0.00 C +ATOM 112 CA LYS A 112 253.672 260.308 275.009 1.00 0.00 C +ATOM 113 CA VAL A 113 255.111 263.525 273.560 1.00 0.00 C +ATOM 114 CA ASP A 114 255.232 267.027 275.056 1.00 0.00 C +ATOM 115 CA SER A 115 254.028 270.631 274.778 1.00 0.00 C +ATOM 116 CA SER A 116 257.187 272.753 274.975 1.00 0.00 C +ATOM 117 CA VAL A 117 260.364 274.576 276.021 1.00 0.00 C +ATOM 118 CA SER A 118 261.733 273.386 279.372 1.00 0.00 C +ATOM 119 CA MET A 119 258.854 271.438 280.933 1.00 0.00 C +ATOM 120 CA ASP A 120 255.348 270.903 282.325 1.00 0.00 C +ATOM 121 CA GLU A 121 254.676 267.188 281.806 1.00 0.00 C +ATOM 122 CA ASP A 122 254.503 263.573 282.997 1.00 0.00 C +ATOM 123 CA GLU A 123 253.212 260.104 283.898 1.00 0.00 C +ATOM 124 CA LEU A 124 250.498 260.238 286.569 1.00 0.00 C +ATOM 125 CA GLY A 125 251.983 259.734 290.041 1.00 0.00 C +ATOM 126 CA THR A 126 253.534 261.920 292.748 1.00 0.00 C +ATOM 127 CA ALA A 127 254.798 261.739 296.338 1.00 0.00 C +ATOM 128 CA THR A 128 253.968 259.470 299.284 1.00 0.00 C +ATOM 129 CA LEU A 129 253.910 256.030 300.922 1.00 0.00 C +ATOM 130 CA ARG A 130 254.269 252.379 301.947 1.00 0.00 C +ATOM 131 CA GLY A 131 256.410 251.012 304.787 1.00 0.00 C +ATOM 132 CA VAL A 132 256.554 251.278 308.585 1.00 0.00 C +ATOM 133 CA LYS A 133 253.171 250.621 310.209 1.00 0.00 C +ATOM 134 CA LYS A 134 251.369 252.849 312.720 1.00 0.00 C +ATOM 135 CA ARG A 135 249.867 256.321 312.269 1.00 0.00 C +ATOM 136 CA ARG A 136 248.562 257.096 308.774 1.00 0.00 C +ATOM 137 CA SER A 137 244.940 258.248 309.028 1.00 0.00 C +ATOM 138 CA LEU A 138 244.285 261.009 306.485 1.00 0.00 C +ATOM 139 CA GLY A 139 243.345 261.014 302.792 1.00 0.00 C +ATOM 140 CA GLY A 140 242.777 261.630 299.076 1.00 0.00 C +ATOM 141 CA ALA A 141 240.698 264.804 298.730 1.00 0.00 C +ATOM 142 CA GLY A 142 237.039 264.433 297.738 1.00 0.00 C +ATOM 143 CA GLY A 143 235.037 265.450 294.660 1.00 0.00 C +ATOM 144 CA ARG A 144 233.303 267.091 291.691 1.00 0.00 C +ATOM 145 CA ALA A 145 232.973 264.755 288.698 1.00 0.00 C +ATOM 146 CA THR A 146 231.823 264.099 285.126 1.00 0.00 C +ATOM 147 CA GLU A 147 229.124 265.879 283.111 1.00 0.00 C +ATOM 148 CA THR A 148 225.522 264.885 282.365 1.00 0.00 C +ATOM 149 CA ALA A 149 224.165 266.925 279.447 1.00 0.00 C +ATOM 150 CA LYS A 150 220.637 268.365 279.450 1.00 0.00 C +ATOM 151 CA GLN A 151 218.695 271.279 277.949 1.00 0.00 C +ATOM 152 CA ASP A 152 218.226 273.899 280.675 1.00 0.00 C +ATOM 153 CA THR A 153 220.961 276.371 281.634 1.00 0.00 C +ATOM 154 CA GLY A 154 224.362 277.747 280.604 1.00 0.00 C +ATOM 155 CA GLU A 155 226.056 278.661 277.316 1.00 0.00 C +ATOM 156 CA ARG A 156 229.330 280.460 276.568 1.00 0.00 C +ATOM 157 CA ALA A 157 232.149 282.702 275.326 1.00 0.00 C +ATOM 158 CA ARG A 158 233.811 282.534 271.902 1.00 0.00 C +ATOM 159 CA ILE A 159 234.859 284.765 268.996 1.00 0.00 C +ATOM 160 CA ASN A 160 235.523 284.812 265.245 1.00 0.00 C +ATOM 161 CA PRO A 161 236.074 282.928 261.980 1.00 0.00 C +ATOM 162 CA ARG A 162 236.601 279.243 262.791 1.00 0.00 C +ATOM 163 CA ARG A 163 237.425 275.631 263.682 1.00 0.00 C +ATOM 164 CA LEU A 164 236.169 274.566 267.118 1.00 0.00 C +ATOM 165 CA PRO A 165 233.903 277.043 268.920 1.00 0.00 C +ATOM 166 CA SER A 166 230.377 277.221 267.487 1.00 0.00 C +ATOM 167 CA GLU A 167 230.270 280.489 265.531 1.00 0.00 C +ATOM 168 CA ALA A 168 227.439 281.829 263.362 1.00 0.00 C +ATOM 169 CA SER A 169 225.819 285.177 264.187 1.00 0.00 C +ATOM 170 CA SER A 170 222.668 287.296 263.880 1.00 0.00 C +ATOM 171 CA THR A 171 219.668 288.823 265.664 1.00 0.00 C +ATOM 172 CA SER A 172 216.707 286.746 264.467 1.00 0.00 C +ATOM 173 CA THR A 173 215.263 287.551 261.035 1.00 0.00 C +ATOM 174 CA THR A 174 215.087 290.801 259.054 1.00 0.00 C +ATOM 175 CA ARG A 175 212.751 290.308 256.085 1.00 0.00 C +ATOM 176 CA GLN A 176 209.609 290.194 253.934 1.00 0.00 C +ATOM 177 CA GLY A 177 207.859 289.458 250.630 1.00 0.00 C +ATOM 178 CA GLN A 178 210.286 287.525 248.419 1.00 0.00 C +ATOM 179 CA GLY A 179 213.078 286.139 246.228 1.00 0.00 C +ATOM 180 CA GLY A 180 215.070 284.835 243.254 1.00 0.00 C +ATOM 181 CA SER A 181 216.701 282.798 240.478 1.00 0.00 C +ATOM 182 CA ASN A 182 215.034 281.311 237.392 1.00 0.00 C +ATOM 183 CA ALA A 183 217.240 280.470 234.401 1.00 0.00 C +ATOM 184 CA VAL A 184 218.704 277.016 235.070 1.00 0.00 C +ATOM 185 CA ALA A 185 222.162 276.358 236.526 1.00 0.00 C +ATOM 186 CA GLN A 186 221.636 273.689 239.194 1.00 0.00 C +ATOM 187 CA ARG A 187 224.694 273.939 241.453 1.00 0.00 C +ATOM 188 CA LYS A 188 228.419 273.826 240.664 1.00 0.00 C +ATOM 189 CA LEU A 189 231.612 274.331 238.647 1.00 0.00 C +ATOM 190 CA THR A 190 232.625 271.005 237.089 1.00 0.00 C +ATOM 191 CA ALA A 191 233.344 267.521 238.452 1.00 0.00 C +ATOM 192 CA SER A 192 232.513 264.851 235.864 1.00 0.00 C +ATOM 193 CA GLY A 193 231.736 264.927 232.135 1.00 0.00 C +ATOM 194 CA GLY A 194 232.951 261.842 230.258 1.00 0.00 C +ATOM 195 CA ALA A 195 234.697 258.464 230.020 1.00 0.00 C +ATOM 196 CA GLU A 196 235.961 254.936 229.333 1.00 0.00 C +ATOM 197 CA SER A 197 238.333 253.584 231.991 1.00 0.00 C +ATOM 198 CA SER A 198 241.745 252.140 232.878 1.00 0.00 C +ATOM 199 CA PRO A 199 244.070 249.745 234.716 1.00 0.00 C +ATOM 200 CA SER A 200 243.577 246.360 236.393 1.00 0.00 C +ATOM 201 CA MET A 201 244.974 244.038 239.071 1.00 0.00 C +ATOM 202 CA GLY A 202 242.343 241.320 239.526 1.00 0.00 C +ATOM 203 CA SER A 203 240.780 239.401 236.629 1.00 0.00 C +ATOM 204 CA SER A 204 243.556 238.562 234.159 1.00 0.00 C +ATOM 205 CA PHE A 205 244.994 235.874 231.873 1.00 0.00 C +ATOM 206 CA SER A 206 245.605 233.585 228.889 1.00 0.00 C +ATOM 207 CA ASP A 207 244.750 229.993 227.949 1.00 0.00 C +ATOM 208 CA LEU A 208 241.686 227.814 227.335 1.00 0.00 C +ATOM 209 CA SER A 209 238.997 228.373 224.694 1.00 0.00 C +ATOM 210 CA GLY A 210 237.887 229.447 221.210 1.00 0.00 C +ATOM 211 CA LYS A 211 237.086 230.541 217.650 1.00 0.00 C +ATOM 212 CA PHE A 212 238.324 228.011 215.084 1.00 0.00 C +ATOM 213 CA VAL A 213 236.804 228.296 211.602 1.00 0.00 C +TER 214 VAL A 213 +END diff --git a/Fungi/A0A401GTJ7/A0A401GTJ7.dcd b/Fungi/A0A401GTJ7/A0A401GTJ7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..be62a3bf9e57377da0ce5b9390a942058ad17a10 --- /dev/null +++ b/Fungi/A0A401GTJ7/A0A401GTJ7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0bf4db7454f0368f8c8ba062cee28ee22b3f41a35ee518e9e54be47182a27ed5 +size 9920276 diff --git a/Fungi/A0A401GTJ7/top.pdb b/Fungi/A0A401GTJ7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b7541c3aaec042df3c7f02b17fb41385b99f6750 --- /dev/null +++ b/Fungi/A0A401GTJ7/top.pdb @@ -0,0 +1,80 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 250.379 243.615 251.225 1.00 0.00 C +ATOM 2 CA HIS A 2 252.643 246.620 250.620 1.00 0.00 C +ATOM 3 CA GLU A 3 254.656 249.790 249.977 1.00 0.00 C +ATOM 4 CA ASN A 4 256.248 252.651 251.925 1.00 0.00 C +ATOM 5 CA GLY A 5 258.416 254.969 249.818 1.00 0.00 C +ATOM 6 CA SER A 6 261.493 256.583 248.254 1.00 0.00 C +ATOM 7 CA ALA A 7 260.766 260.319 248.070 1.00 0.00 C +ATOM 8 CA ARG A 8 262.008 262.396 245.128 1.00 0.00 C +ATOM 9 CA LYS A 9 265.064 260.785 243.519 1.00 0.00 C +ATOM 10 CA ARG A 10 268.128 260.904 241.258 1.00 0.00 C +ATOM 11 CA ALA A 11 270.146 264.113 241.635 1.00 0.00 C +ATOM 12 CA PRO A 12 268.065 266.725 243.469 1.00 0.00 C +ATOM 13 CA ALA A 13 269.866 270.002 244.200 1.00 0.00 C +ATOM 14 CA GLN A 14 269.806 273.784 243.738 1.00 0.00 C +ATOM 15 CA LYS A 15 271.282 277.137 244.781 1.00 0.00 C +ATOM 16 CA ARG A 16 273.621 280.109 245.243 1.00 0.00 C +ATOM 17 CA ALA A 17 273.537 283.910 245.497 1.00 0.00 C +ATOM 18 CA LEU A 18 273.538 286.155 248.575 1.00 0.00 C +ATOM 19 CA ARG A 19 275.203 284.357 251.492 1.00 0.00 C +ATOM 20 CA GLY A 20 273.914 280.981 252.701 1.00 0.00 C +ATOM 21 CA SER A 21 273.118 277.443 251.533 1.00 0.00 C +ATOM 22 CA PRO A 22 274.655 274.029 250.829 1.00 0.00 C +ATOM 23 CA GLN A 23 273.984 270.303 250.405 1.00 0.00 C +ATOM 24 CA GLY A 24 276.951 267.912 250.411 1.00 0.00 C +ATOM 25 CA ILE A 25 276.201 264.798 248.348 1.00 0.00 C +ATOM 26 CA GLU A 26 276.107 261.161 249.479 1.00 0.00 C +ATOM 27 CA VAL A 27 274.090 259.403 252.191 1.00 0.00 C +ATOM 28 CA GLY A 28 271.623 256.530 252.615 1.00 0.00 C +ATOM 29 CA GLU A 29 271.710 253.540 254.974 1.00 0.00 C +ATOM 30 CA GLU A 30 269.940 250.182 255.296 1.00 0.00 C +ATOM 31 CA LYS A 31 268.668 249.586 258.838 1.00 0.00 C +ATOM 32 CA GLY A 32 268.102 245.863 259.413 1.00 0.00 C +ATOM 33 CA GLY A 33 266.862 243.434 262.073 1.00 0.00 C +ATOM 34 CA ASP A 34 268.490 243.117 265.503 1.00 0.00 C +ATOM 35 CA ASP A 35 270.605 241.044 267.901 1.00 0.00 C +ATOM 36 CA GLY A 36 268.722 239.101 270.583 1.00 0.00 C +ATOM 37 CA THR A 37 265.031 239.437 271.465 1.00 0.00 C +ATOM 38 CA GLY A 38 262.173 241.718 270.394 1.00 0.00 C +ATOM 39 CA ALA A 39 258.789 240.123 271.116 1.00 0.00 C +ATOM 40 CA GLU A 40 255.552 242.097 270.731 1.00 0.00 C +ATOM 41 CA GLU A 41 252.359 241.517 268.735 1.00 0.00 C +ATOM 42 CA GLY A 42 250.049 240.320 265.952 1.00 0.00 C +ATOM 43 CA ASP A 43 246.573 240.470 267.504 1.00 0.00 C +ATOM 44 CA GLY A 44 244.970 243.770 268.530 1.00 0.00 C +ATOM 45 CA VAL A 45 241.204 243.241 268.757 1.00 0.00 C +ATOM 46 CA ASP A 46 237.763 244.693 268.005 1.00 0.00 C +ATOM 47 CA ASN A 47 234.307 246.222 267.523 1.00 0.00 C +ATOM 48 CA ASP A 48 230.575 245.966 266.799 1.00 0.00 C +ATOM 49 CA ASN A 49 227.964 243.939 264.905 1.00 0.00 C +ATOM 50 CA GLY A 50 226.969 240.510 266.234 1.00 0.00 C +ATOM 51 CA GLU A 51 225.944 237.383 264.314 1.00 0.00 C +ATOM 52 CA GLU A 52 223.467 235.961 261.792 1.00 0.00 C +ATOM 53 CA GLY A 53 223.344 234.794 258.167 1.00 0.00 C +ATOM 54 CA MET A 54 220.452 234.618 255.692 1.00 0.00 C +ATOM 55 CA GLY A 55 218.935 235.324 252.270 1.00 0.00 C +ATOM 56 CA GLU A 56 221.369 235.625 249.354 1.00 0.00 C +ATOM 57 CA GLU A 57 221.092 232.775 246.841 1.00 0.00 C +ATOM 58 CA GLU A 58 221.477 231.841 243.167 1.00 0.00 C +ATOM 59 CA GLU A 59 220.092 234.791 241.194 1.00 0.00 C +ATOM 60 CA ALA A 60 218.624 237.425 238.865 1.00 0.00 C +ATOM 61 CA ASP A 61 218.132 241.111 238.035 1.00 0.00 C +ATOM 62 CA THR A 62 221.370 243.020 237.415 1.00 0.00 C +ATOM 63 CA ALA A 63 224.938 244.355 237.499 1.00 0.00 C +ATOM 64 CA MET A 64 226.470 247.843 237.557 1.00 0.00 C +ATOM 65 CA GLU A 65 228.869 250.572 236.411 1.00 0.00 C +ATOM 66 CA GLU A 66 232.568 251.418 236.064 1.00 0.00 C +ATOM 67 CA LEU A 67 235.493 249.767 234.267 1.00 0.00 C +ATOM 68 CA ALA A 68 235.861 246.091 233.335 1.00 0.00 C +ATOM 69 CA ASP A 69 233.793 242.997 232.518 1.00 0.00 C +ATOM 70 CA ILE A 70 233.179 240.279 229.920 1.00 0.00 C +ATOM 71 CA ALA A 71 232.791 236.661 228.792 1.00 0.00 C +ATOM 72 CA GLY A 72 233.249 234.300 225.837 1.00 0.00 C +ATOM 73 CA MET A 73 233.882 230.831 224.393 1.00 0.00 C +ATOM 74 CA MET A 74 231.929 229.971 221.237 1.00 0.00 C +ATOM 75 CA GLU A 75 234.381 228.209 218.914 1.00 0.00 C +ATOM 76 CA ILE A 76 235.409 224.660 217.984 1.00 0.00 C +TER 77 ILE A 76 +END diff --git a/Fungi/A0A401H3J6/A0A401H3J6.dcd b/Fungi/A0A401H3J6/A0A401H3J6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..50d1e0470b87799eb8b939aaa126acfb2df51969 --- /dev/null +++ b/Fungi/A0A401H3J6/A0A401H3J6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:02d76817cc15c6bdea1dceabf4d44870db096e5a79b20e0fedde7251b304b54a +size 9440276 diff --git a/Fungi/A0A401H3J6/top.pdb b/Fungi/A0A401H3J6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..beb790eb61246f423e326bd5f99c9aa181095da2 --- /dev/null +++ b/Fungi/A0A401H3J6/top.pdb @@ -0,0 +1,76 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 305.146 246.557 268.397 1.00 0.00 C +ATOM 2 CA VAL A 2 301.673 247.385 267.069 1.00 0.00 C +ATOM 3 CA PRO A 3 298.176 245.894 266.805 1.00 0.00 C +ATOM 4 CA SER A 4 298.167 243.166 264.146 1.00 0.00 C +ATOM 5 CA ILE A 5 294.753 241.729 263.255 1.00 0.00 C +ATOM 6 CA GLU A 6 292.777 240.122 260.422 1.00 0.00 C +ATOM 7 CA ALA A 7 289.541 239.780 258.441 1.00 0.00 C +ATOM 8 CA ALA A 8 287.735 236.488 257.795 1.00 0.00 C +ATOM 9 CA SER A 9 286.365 235.273 261.136 1.00 0.00 C +ATOM 10 CA SER A 10 282.893 235.787 262.618 1.00 0.00 C +ATOM 11 CA ILE A 11 281.178 238.129 260.151 1.00 0.00 C +ATOM 12 CA GLY A 12 281.688 241.038 257.743 1.00 0.00 C +ATOM 13 CA THR A 13 280.941 243.916 255.360 1.00 0.00 C +ATOM 14 CA LYS A 14 281.261 242.473 251.849 1.00 0.00 C +ATOM 15 CA THR A 15 282.790 242.617 248.362 1.00 0.00 C +ATOM 16 CA GLY A 16 281.363 240.698 245.396 1.00 0.00 C +ATOM 17 CA SER A 17 280.120 240.869 241.799 1.00 0.00 C +ATOM 18 CA ALA A 18 276.593 242.310 241.797 1.00 0.00 C +ATOM 19 CA ARG A 19 273.960 243.710 244.167 1.00 0.00 C +ATOM 20 CA GLN A 20 270.518 243.356 242.574 1.00 0.00 C +ATOM 21 CA THR A 21 269.957 240.064 240.739 1.00 0.00 C +ATOM 22 CA SER A 22 267.736 239.512 237.693 1.00 0.00 C +ATOM 23 CA PRO A 23 264.074 238.968 236.792 1.00 0.00 C +ATOM 24 CA GLY A 24 263.143 239.808 233.194 1.00 0.00 C +ATOM 25 CA SER A 25 261.637 239.925 229.696 1.00 0.00 C +ATOM 26 CA ARG A 26 257.856 239.825 230.159 1.00 0.00 C +ATOM 27 CA PRO A 27 255.115 240.015 232.798 1.00 0.00 C +ATOM 28 CA GLN A 28 256.126 241.712 236.056 1.00 0.00 C +ATOM 29 CA ASN A 29 255.350 241.226 239.754 1.00 0.00 C +ATOM 30 CA GLU A 30 251.632 240.758 240.445 1.00 0.00 C +ATOM 31 CA GLY A 31 248.773 243.081 239.473 1.00 0.00 C +ATOM 32 CA LYS A 32 250.021 246.178 237.637 1.00 0.00 C +ATOM 33 CA GLY A 33 248.167 249.428 238.360 1.00 0.00 C +ATOM 34 CA GLY A 34 247.342 250.118 242.015 1.00 0.00 C +ATOM 35 CA ARG A 35 244.867 249.126 244.736 1.00 0.00 C +ATOM 36 CA LYS A 36 243.188 248.759 248.137 1.00 0.00 C +ATOM 37 CA GLN A 37 239.747 250.384 248.311 1.00 0.00 C +ATOM 38 CA TRP A 38 237.174 251.831 250.719 1.00 0.00 C +ATOM 39 CA ALA A 39 235.162 254.802 249.437 1.00 0.00 C +ATOM 40 CA THR A 40 232.705 257.008 247.536 1.00 0.00 C +ATOM 41 CA PHE A 41 234.088 260.462 246.717 1.00 0.00 C +ATOM 42 CA GLU A 42 233.218 261.751 243.238 1.00 0.00 C +ATOM 43 CA HIS A 43 231.268 263.648 240.572 1.00 0.00 C +ATOM 44 CA GLY A 44 232.099 266.639 238.362 1.00 0.00 C +ATOM 45 CA HIS A 45 230.233 269.118 236.152 1.00 0.00 C +ATOM 46 CA THR A 46 226.538 269.268 237.070 1.00 0.00 C +ATOM 47 CA ALA A 47 225.124 272.025 239.287 1.00 0.00 C +ATOM 48 CA HIS A 48 223.550 270.731 242.507 1.00 0.00 C +ATOM 49 CA ASP A 49 222.651 273.487 244.979 1.00 0.00 C +ATOM 50 CA GLU A 50 223.600 272.821 248.608 1.00 0.00 C +ATOM 51 CA SER A 51 226.653 271.992 250.732 1.00 0.00 C +ATOM 52 CA GLN A 52 225.755 272.009 254.435 1.00 0.00 C +ATOM 53 CA PRO A 53 224.609 271.741 258.058 1.00 0.00 C +ATOM 54 CA VAL A 54 226.473 269.467 260.481 1.00 0.00 C +ATOM 55 CA PRO A 55 223.992 266.907 261.827 1.00 0.00 C +ATOM 56 CA THR A 56 222.924 264.396 259.167 1.00 0.00 C +ATOM 57 CA LEU A 57 226.202 262.857 257.981 1.00 0.00 C +ATOM 58 CA ARG A 58 227.764 262.077 254.595 1.00 0.00 C +ATOM 59 CA SER A 59 229.671 258.785 254.813 1.00 0.00 C +ATOM 60 CA TRP A 60 229.813 257.802 258.491 1.00 0.00 C +ATOM 61 CA ALA A 61 232.057 254.853 259.373 1.00 0.00 C +ATOM 62 CA HIS A 62 231.278 251.364 260.691 1.00 0.00 C +ATOM 63 CA ARG A 63 227.870 250.373 259.305 1.00 0.00 C +ATOM 64 CA GLY A 64 224.435 250.536 260.943 1.00 0.00 C +ATOM 65 CA PRO A 65 222.760 247.852 263.066 1.00 0.00 C +ATOM 66 CA SER A 66 222.375 244.474 261.346 1.00 0.00 C +ATOM 67 CA ARG A 67 225.162 243.885 258.816 1.00 0.00 C +ATOM 68 CA GLU A 68 224.299 240.564 257.159 1.00 0.00 C +ATOM 69 CA TYR A 69 224.451 236.928 256.033 1.00 0.00 C +ATOM 70 CA LEU A 70 221.247 236.417 254.036 1.00 0.00 C +ATOM 71 CA ARG A 71 221.622 235.995 250.268 1.00 0.00 C +ATOM 72 CA LEU A 72 218.805 234.950 247.925 1.00 0.00 C +TER 73 LEU A 72 +END diff --git a/Fungi/A0A401KVS8/A0A401KVS8.dcd b/Fungi/A0A401KVS8/A0A401KVS8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..cf0fbaf0f2b541c6610216f39e7633eb9057a095 --- /dev/null +++ b/Fungi/A0A401KVS8/A0A401KVS8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2508f1a5604edcd5df82af2250b19165093ce7db3f37f39f25e5d15a866f28ad +size 14720276 diff --git a/Fungi/A0A401KVS8/top.pdb b/Fungi/A0A401KVS8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d64b64de70038b56c337c8ef003c8be2e25019f4 --- /dev/null +++ b/Fungi/A0A401KVS8/top.pdb @@ -0,0 +1,120 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 220.753 199.967 231.440 1.00 0.00 C +ATOM 2 CA GLU A 2 218.826 200.488 228.194 1.00 0.00 C +ATOM 3 CA GLU A 3 217.056 203.496 226.667 1.00 0.00 C +ATOM 4 CA GLU A 4 217.409 207.047 225.331 1.00 0.00 C +ATOM 5 CA ARG A 5 221.100 207.862 224.853 1.00 0.00 C +ATOM 6 CA ARG A 6 223.479 207.876 227.829 1.00 0.00 C +ATOM 7 CA GLY A 7 224.990 211.365 228.074 1.00 0.00 C +ATOM 8 CA ILE A 8 222.612 213.842 229.725 1.00 0.00 C +ATOM 9 CA LEU A 9 220.213 216.802 229.715 1.00 0.00 C +ATOM 10 CA ARG A 10 216.482 216.946 230.471 1.00 0.00 C +ATOM 11 CA PRO A 11 215.294 220.464 231.326 1.00 0.00 C +ATOM 12 CA THR A 12 217.664 222.988 229.736 1.00 0.00 C +ATOM 13 CA ARG A 13 218.783 225.895 231.930 1.00 0.00 C +ATOM 14 CA HIS A 14 217.574 229.503 231.725 1.00 0.00 C +ATOM 15 CA ALA A 15 220.231 231.266 229.640 1.00 0.00 C +ATOM 16 CA ALA A 16 222.374 230.333 226.631 1.00 0.00 C +ATOM 17 CA THR A 17 224.790 233.061 225.519 1.00 0.00 C +ATOM 18 CA ALA A 18 225.650 236.752 225.910 1.00 0.00 C +ATOM 19 CA ARG A 19 225.929 237.915 229.528 1.00 0.00 C +ATOM 20 CA ALA A 20 224.813 236.840 233.008 1.00 0.00 C +ATOM 21 CA GLY A 21 223.781 233.585 234.698 1.00 0.00 C +ATOM 22 CA LYS A 22 224.018 231.765 238.037 1.00 0.00 C +ATOM 23 CA LEU A 23 223.884 232.326 241.803 1.00 0.00 C +ATOM 24 CA GLY A 24 222.906 232.322 245.485 1.00 0.00 C +ATOM 25 CA GLN A 25 221.949 233.242 249.057 1.00 0.00 C +ATOM 26 CA VAL A 26 222.346 236.261 251.347 1.00 0.00 C +ATOM 27 CA LEU A 27 222.592 239.867 252.553 1.00 0.00 C +ATOM 28 CA GLY A 28 223.010 243.378 251.135 1.00 0.00 C +ATOM 29 CA VAL A 29 219.615 244.750 250.083 1.00 0.00 C +ATOM 30 CA GLN A 30 217.143 242.811 247.927 1.00 0.00 C +ATOM 31 CA PRO A 31 218.151 240.183 245.359 1.00 0.00 C +ATOM 32 CA ASP A 32 215.107 238.021 244.600 1.00 0.00 C +ATOM 33 CA ASP A 33 214.605 234.361 243.666 1.00 0.00 C +ATOM 34 CA GLU A 34 212.476 231.624 242.088 1.00 0.00 C +ATOM 35 CA LYS A 35 213.412 230.646 238.527 1.00 0.00 C +ATOM 36 CA CYS A 36 216.739 229.008 237.651 1.00 0.00 C +ATOM 37 CA GLU A 37 219.857 226.970 238.451 1.00 0.00 C +ATOM 38 CA ARG A 38 220.155 223.171 238.454 1.00 0.00 C +ATOM 39 CA GLU A 39 222.889 221.025 236.894 1.00 0.00 C +ATOM 40 CA LYS A 40 222.532 217.487 238.263 1.00 0.00 C +ATOM 41 CA THR A 41 225.104 217.148 241.054 1.00 0.00 C +ATOM 42 CA LEU A 42 227.738 219.866 241.492 1.00 0.00 C +ATOM 43 CA VAL A 43 229.464 223.245 241.841 1.00 0.00 C +ATOM 44 CA ASP A 44 233.087 224.408 242.039 1.00 0.00 C +ATOM 45 CA ASP A 45 236.284 223.481 240.185 1.00 0.00 C +ATOM 46 CA SER A 46 239.706 222.853 238.634 1.00 0.00 C +ATOM 47 CA TRP A 47 242.976 224.707 238.012 1.00 0.00 C +ATOM 48 CA LEU A 48 244.290 223.334 234.709 1.00 0.00 C +ATOM 49 CA VAL A 49 248.096 223.287 234.539 1.00 0.00 C +ATOM 50 CA ASP A 50 251.148 225.534 234.930 1.00 0.00 C +ATOM 51 CA GLU A 51 250.182 228.520 237.090 1.00 0.00 C +ATOM 52 CA GLU A 52 251.590 231.950 237.965 1.00 0.00 C +ATOM 53 CA GLU A 53 249.843 235.321 237.642 1.00 0.00 C +ATOM 54 CA THR A 54 249.103 237.595 240.608 1.00 0.00 C +ATOM 55 CA LYS A 55 252.258 239.412 241.731 1.00 0.00 C +ATOM 56 CA GLY A 56 253.992 240.536 238.530 1.00 0.00 C +ATOM 57 CA HIS A 57 256.191 239.790 235.509 1.00 0.00 C +ATOM 58 CA GLU A 58 255.903 236.886 233.060 1.00 0.00 C +ATOM 59 CA GLU A 59 253.880 238.058 230.052 1.00 0.00 C +ATOM 60 CA GLY A 60 254.717 241.684 229.237 1.00 0.00 C +ATOM 61 CA ARG A 61 258.296 242.988 229.339 1.00 0.00 C +ATOM 62 CA LEU A 62 258.307 246.730 230.054 1.00 0.00 C +ATOM 63 CA GLY A 63 259.864 250.122 229.285 1.00 0.00 C +ATOM 64 CA GLU A 64 259.921 252.934 231.855 1.00 0.00 C +ATOM 65 CA LEU A 65 262.082 254.376 234.642 1.00 0.00 C +ATOM 66 CA GLY A 66 262.622 254.463 238.413 1.00 0.00 C +ATOM 67 CA CYS A 67 266.168 255.423 239.421 1.00 0.00 C +ATOM 68 CA SER A 68 268.206 258.574 238.759 1.00 0.00 C +ATOM 69 CA SER A 69 269.796 259.846 241.979 1.00 0.00 C +ATOM 70 CA LYS A 70 272.534 257.490 243.193 1.00 0.00 C +ATOM 71 CA GLN A 71 272.100 256.346 246.801 1.00 0.00 C +ATOM 72 CA ASP A 72 273.115 259.250 249.049 1.00 0.00 C +ATOM 73 CA GLU A 73 274.228 262.360 250.949 1.00 0.00 C +ATOM 74 CA ARG A 74 274.555 263.774 254.472 1.00 0.00 C +ATOM 75 CA GLN A 75 276.769 264.492 257.488 1.00 0.00 C +ATOM 76 CA ARG A 76 278.766 262.912 260.322 1.00 0.00 C +ATOM 77 CA TRP A 77 280.412 262.777 263.755 1.00 0.00 C +ATOM 78 CA THR A 78 283.815 264.448 263.373 1.00 0.00 C +ATOM 79 CA GLY A 79 287.484 265.306 263.933 1.00 0.00 C +ATOM 80 CA LYS A 80 287.781 267.066 267.298 1.00 0.00 C +ATOM 81 CA LYS A 81 289.763 269.591 269.351 1.00 0.00 C +ATOM 82 CA GLN A 82 293.338 268.682 270.305 1.00 0.00 C +ATOM 83 CA GLN A 83 294.493 270.044 273.671 1.00 0.00 C +ATOM 84 CA GLN A 84 295.418 273.667 272.943 1.00 0.00 C +ATOM 85 CA GLN A 85 296.923 276.835 271.454 1.00 0.00 C +ATOM 86 CA GLN A 86 296.258 280.152 269.700 1.00 0.00 C +ATOM 87 CA GLN A 87 293.675 281.350 267.169 1.00 0.00 C +ATOM 88 CA GLN A 88 289.882 281.112 267.444 1.00 0.00 C +ATOM 89 CA ASN A 89 287.951 281.841 270.646 1.00 0.00 C +ATOM 90 CA LYS A 90 288.726 285.360 271.885 1.00 0.00 C +ATOM 91 CA LYS A 91 287.428 285.921 275.423 1.00 0.00 C +ATOM 92 CA LEU A 92 283.761 286.538 276.251 1.00 0.00 C +ATOM 93 CA VAL A 93 281.264 288.826 274.505 1.00 0.00 C +ATOM 94 CA GLY A 94 278.899 291.794 274.838 1.00 0.00 C +ATOM 95 CA ARG A 95 280.406 294.422 277.148 1.00 0.00 C +ATOM 96 CA GLY A 96 278.576 294.227 280.484 1.00 0.00 C +ATOM 97 CA VAL A 97 276.784 296.723 282.737 1.00 0.00 C +ATOM 98 CA GLN A 98 273.807 298.585 281.257 1.00 0.00 C +ATOM 99 CA ARG A 99 272.445 297.876 277.770 1.00 0.00 C +ATOM 100 CA THR A 100 272.979 294.229 276.806 1.00 0.00 C +ATOM 101 CA ALA A 101 271.993 290.556 277.034 1.00 0.00 C +ATOM 102 CA GLU A 102 273.867 288.376 274.534 1.00 0.00 C +ATOM 103 CA ARG A 103 272.672 288.728 270.933 1.00 0.00 C +ATOM 104 CA GLU A 104 269.168 288.950 269.453 1.00 0.00 C +ATOM 105 CA ASN A 105 266.383 289.804 271.910 1.00 0.00 C +ATOM 106 CA GLN A 106 263.374 287.468 271.952 1.00 0.00 C +ATOM 107 CA GLU A 107 260.284 285.908 270.360 1.00 0.00 C +ATOM 108 CA ALA A 108 258.445 283.166 272.262 1.00 0.00 C +ATOM 109 CA LEU A 109 258.955 280.568 275.002 1.00 0.00 C +ATOM 110 CA LEU A 110 256.520 277.700 275.603 1.00 0.00 C +ATOM 111 CA LYS A 111 252.783 277.171 275.084 1.00 0.00 C +ATOM 112 CA LEU A 112 252.337 273.720 273.533 1.00 0.00 C +ATOM 113 CA ASP A 113 249.728 271.561 275.278 1.00 0.00 C +ATOM 114 CA ARG A 114 247.442 269.051 277.007 1.00 0.00 C +ATOM 115 CA HIS A 115 245.679 268.546 280.347 1.00 0.00 C +ATOM 116 CA THR A 116 242.025 268.156 281.350 1.00 0.00 C +TER 117 THR A 116 +END diff --git a/Fungi/A0A409WVV5/A0A409WVV5.dcd b/Fungi/A0A409WVV5/A0A409WVV5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..408516e2554fc28e83f5768237f7ce39259e9d9f --- /dev/null +++ b/Fungi/A0A409WVV5/A0A409WVV5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a2c983fbd2945ec919292a2a75bb28459273986e7a45558744be7808ed9e2aec +size 9320276 diff --git a/Fungi/A0A409WVV5/top.pdb b/Fungi/A0A409WVV5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7a6167e60619a8a321de782f4499980356d267a2 --- /dev/null +++ b/Fungi/A0A409WVV5/top.pdb @@ -0,0 +1,75 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 244.724 245.685 277.626 1.00 0.00 C +ATOM 2 CA VAL A 2 247.053 245.702 280.642 1.00 0.00 C +ATOM 3 CA ARG A 3 250.728 246.529 280.070 1.00 0.00 C +ATOM 4 CA ARG A 4 253.477 244.136 281.178 1.00 0.00 C +ATOM 5 CA GLY A 5 256.487 242.022 282.173 1.00 0.00 C +ATOM 6 CA ARG A 6 260.081 243.181 281.670 1.00 0.00 C +ATOM 7 CA ARG A 7 260.718 242.837 277.929 1.00 0.00 C +ATOM 8 CA ARG A 8 264.151 242.643 276.287 1.00 0.00 C +ATOM 9 CA GLY A 9 266.999 244.931 277.369 1.00 0.00 C +ATOM 10 CA ASP A 10 270.322 245.744 279.046 1.00 0.00 C +ATOM 11 CA GLY A 11 272.470 247.315 276.320 1.00 0.00 C +ATOM 12 CA LYS A 12 270.735 247.406 272.929 1.00 0.00 C +ATOM 13 CA GLU A 13 271.594 250.369 270.693 1.00 0.00 C +ATOM 14 CA LYS A 14 271.824 253.085 268.032 1.00 0.00 C +ATOM 15 CA SER A 15 272.501 251.646 264.569 1.00 0.00 C +ATOM 16 CA ARG A 16 274.236 250.797 261.285 1.00 0.00 C +ATOM 17 CA LYS A 17 275.690 250.188 257.817 1.00 0.00 C +ATOM 18 CA LYS A 18 275.216 246.458 257.205 1.00 0.00 C +ATOM 19 CA GLU A 19 274.019 243.374 255.314 1.00 0.00 C +ATOM 20 CA LYS A 20 274.845 239.880 254.040 1.00 0.00 C +ATOM 21 CA GLU A 21 276.216 238.604 250.722 1.00 0.00 C +ATOM 22 CA GLU A 22 276.278 235.793 248.152 1.00 0.00 C +ATOM 23 CA ALA A 23 277.899 235.989 244.709 1.00 0.00 C +ATOM 24 CA LYS A 24 277.348 237.744 241.373 1.00 0.00 C +ATOM 25 CA ALA A 25 277.457 237.856 237.566 1.00 0.00 C +ATOM 26 CA LYS A 26 278.692 239.933 234.620 1.00 0.00 C +ATOM 27 CA ALA A 27 276.729 239.171 231.444 1.00 0.00 C +ATOM 28 CA GLN A 28 275.553 237.930 228.040 1.00 0.00 C +ATOM 29 CA PRO A 29 272.442 237.286 225.937 1.00 0.00 C +ATOM 30 CA MET A 30 269.781 240.004 226.155 1.00 0.00 C +ATOM 31 CA ARG A 31 270.584 242.171 229.185 1.00 0.00 C +ATOM 32 CA HIS A 32 269.735 245.880 228.996 1.00 0.00 C +ATOM 33 CA SER A 33 267.310 248.615 227.921 1.00 0.00 C +ATOM 34 CA THR A 34 263.536 249.124 228.027 1.00 0.00 C +ATOM 35 CA SER A 35 261.722 251.299 225.478 1.00 0.00 C +ATOM 36 CA GLY A 36 258.883 251.796 222.986 1.00 0.00 C +ATOM 37 CA PHE A 37 258.496 254.963 220.904 1.00 0.00 C +ATOM 38 CA GLU A 38 261.615 256.930 219.947 1.00 0.00 C +ATOM 39 CA VAL A 39 262.917 260.234 221.326 1.00 0.00 C +ATOM 40 CA GLY A 40 260.825 262.004 223.972 1.00 0.00 C +ATOM 41 CA PRO A 41 260.018 262.540 227.657 1.00 0.00 C +ATOM 42 CA PRO A 42 259.433 259.727 230.159 1.00 0.00 C +ATOM 43 CA PRO A 43 256.253 259.172 232.183 1.00 0.00 C +ATOM 44 CA VAL A 44 253.020 258.576 234.110 1.00 0.00 C +ATOM 45 CA ALA A 45 250.483 261.145 235.328 1.00 0.00 C +ATOM 46 CA SER A 46 246.974 260.073 236.354 1.00 0.00 C +ATOM 47 CA VAL A 47 246.501 260.585 240.100 1.00 0.00 C +ATOM 48 CA PHE A 48 244.214 260.337 243.137 1.00 0.00 C +ATOM 49 CA LEU A 49 241.526 257.700 242.552 1.00 0.00 C +ATOM 50 CA ASP A 50 237.762 257.124 242.658 1.00 0.00 C +ATOM 51 CA GLY A 51 235.884 260.343 243.452 1.00 0.00 C +ATOM 52 CA GLY A 52 233.426 261.897 240.992 1.00 0.00 C +ATOM 53 CA PRO A 53 229.727 260.988 241.081 1.00 0.00 C +ATOM 54 CA HIS A 54 227.052 260.834 243.789 1.00 0.00 C +ATOM 55 CA SER A 55 223.554 261.047 245.285 1.00 0.00 C +ATOM 56 CA ASN A 56 219.937 261.723 246.274 1.00 0.00 C +ATOM 57 CA SER A 57 218.495 263.297 249.430 1.00 0.00 C +ATOM 58 CA ASN A 58 216.928 262.766 252.862 1.00 0.00 C +ATOM 59 CA ALA A 59 214.689 261.092 255.451 1.00 0.00 C +ATOM 60 CA SER A 60 214.432 257.741 257.245 1.00 0.00 C +ATOM 61 CA PRO A 61 211.982 254.924 258.007 1.00 0.00 C +ATOM 62 CA ASN A 62 210.285 253.878 261.254 1.00 0.00 C +ATOM 63 CA CYS A 63 210.608 250.097 261.594 1.00 0.00 C +ATOM 64 CA GLU A 64 207.960 247.518 260.670 1.00 0.00 C +ATOM 65 CA ASP A 65 204.862 245.374 260.104 1.00 0.00 C +ATOM 66 CA ALA A 66 205.862 242.372 257.982 1.00 0.00 C +ATOM 67 CA ARG A 67 207.961 240.194 260.299 1.00 0.00 C +ATOM 68 CA HIS A 68 211.677 240.975 260.608 1.00 0.00 C +ATOM 69 CA GLU A 69 213.989 243.564 259.036 1.00 0.00 C +ATOM 70 CA GLU A 70 215.524 247.035 258.697 1.00 0.00 C +ATOM 71 CA GLU A 71 217.093 248.112 261.997 1.00 0.00 C +TER 72 GLU A 71 +END diff --git a/Fungi/A0A409XM58/A0A409XM58.dcd b/Fungi/A0A409XM58/A0A409XM58.dcd new file mode 100644 index 0000000000000000000000000000000000000000..17d4f1cbabdbb8f894a1f132300bfd30c889a786 --- /dev/null +++ b/Fungi/A0A409XM58/A0A409XM58.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c52d20ca1080410d9895e4d329b420e2a7724678761850c677328c81a7977cbd +size 10880276 diff --git a/Fungi/A0A409XM58/top.pdb b/Fungi/A0A409XM58/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..76123d7bd9d542c32d9a68196a544ffc51bf9c5f --- /dev/null +++ b/Fungi/A0A409XM58/top.pdb @@ -0,0 +1,88 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 255.521 273.467 259.415 1.00 0.00 C +ATOM 2 CA HIS A 2 254.583 276.306 257.053 1.00 0.00 C +ATOM 3 CA ILE A 3 256.363 275.895 253.709 1.00 0.00 C +ATOM 4 CA THR A 4 256.551 277.012 250.071 1.00 0.00 C +ATOM 5 CA THR A 5 255.168 280.562 250.037 1.00 0.00 C +ATOM 6 CA GLN A 6 255.508 282.386 246.709 1.00 0.00 C +ATOM 7 CA THR A 7 252.956 284.470 244.796 1.00 0.00 C +ATOM 8 CA ILE A 8 249.516 285.489 243.514 1.00 0.00 C +ATOM 9 CA ALA A 9 246.720 283.796 241.557 1.00 0.00 C +ATOM 10 CA LYS A 10 244.872 280.582 242.439 1.00 0.00 C +ATOM 11 CA GLY A 11 243.685 277.822 244.781 1.00 0.00 C +ATOM 12 CA ILE A 12 241.848 274.537 245.379 1.00 0.00 C +ATOM 13 CA PRO A 13 238.818 274.969 247.648 1.00 0.00 C +ATOM 14 CA PRO A 14 235.065 275.612 247.771 1.00 0.00 C +ATOM 15 CA HIS A 15 233.499 278.765 249.229 1.00 0.00 C +ATOM 16 CA LEU A 16 230.878 277.709 251.785 1.00 0.00 C +ATOM 17 CA HIS A 17 228.003 276.171 253.756 1.00 0.00 C +ATOM 18 CA GLN A 18 225.628 273.376 254.788 1.00 0.00 C +ATOM 19 CA PRO A 19 223.465 271.854 252.045 1.00 0.00 C +ATOM 20 CA LYS A 20 223.583 270.595 248.451 1.00 0.00 C +ATOM 21 CA VAL A 21 226.154 269.101 246.069 1.00 0.00 C +ATOM 22 CA LYS A 22 225.365 265.420 245.483 1.00 0.00 C +ATOM 23 CA ALA A 23 228.186 263.819 243.484 1.00 0.00 C +ATOM 24 CA LYS A 24 230.711 264.224 240.659 1.00 0.00 C +ATOM 25 CA ALA A 25 231.469 261.648 237.957 1.00 0.00 C +ATOM 26 CA LYS A 26 231.270 258.070 239.252 1.00 0.00 C +ATOM 27 CA THR A 27 230.702 254.911 237.200 1.00 0.00 C +ATOM 28 CA LYS A 28 233.732 252.920 236.028 1.00 0.00 C +ATOM 29 CA GLU A 29 232.599 249.710 234.317 1.00 0.00 C +ATOM 30 CA THR A 30 233.746 246.421 232.775 1.00 0.00 C +ATOM 31 CA SER A 31 237.379 245.449 232.166 1.00 0.00 C +ATOM 32 CA LYS A 32 239.161 248.596 230.966 1.00 0.00 C +ATOM 33 CA THR A 33 242.110 250.056 232.887 1.00 0.00 C +ATOM 34 CA LYS A 34 245.663 251.265 232.232 1.00 0.00 C +ATOM 35 CA THR A 35 249.167 250.266 233.346 1.00 0.00 C +ATOM 36 CA LEU A 36 250.791 251.493 236.567 1.00 0.00 C +ATOM 37 CA ARG A 37 253.018 254.536 237.107 1.00 0.00 C +ATOM 38 CA SER A 38 252.370 256.305 240.419 1.00 0.00 C +ATOM 39 CA HIS A 39 252.105 258.659 243.403 1.00 0.00 C +ATOM 40 CA LYS A 40 250.360 258.598 246.789 1.00 0.00 C +ATOM 41 CA ARG A 41 250.528 258.004 250.549 1.00 0.00 C +ATOM 42 CA PRO A 42 250.236 257.052 254.227 1.00 0.00 C +ATOM 43 CA ILE A 43 252.074 253.869 255.231 1.00 0.00 C +ATOM 44 CA SER A 44 255.769 254.795 255.298 1.00 0.00 C +ATOM 45 CA ASN A 45 258.803 253.303 253.542 1.00 0.00 C +ATOM 46 CA GLU A 46 258.232 250.827 250.703 1.00 0.00 C +ATOM 47 CA SER A 47 256.615 250.299 247.294 1.00 0.00 C +ATOM 48 CA GLU A 48 259.096 248.173 245.334 1.00 0.00 C +ATOM 49 CA ASN A 49 261.666 246.133 243.398 1.00 0.00 C +ATOM 50 CA GLU A 50 260.815 243.419 240.863 1.00 0.00 C +ATOM 51 CA SER A 51 260.828 239.710 239.994 1.00 0.00 C +ATOM 52 CA GLU A 52 257.444 237.959 239.981 1.00 0.00 C +ATOM 53 CA ASP A 53 254.261 237.108 241.894 1.00 0.00 C +ATOM 54 CA PRO A 54 252.222 236.217 244.987 1.00 0.00 C +ATOM 55 CA GLU A 55 253.804 233.994 247.646 1.00 0.00 C +ATOM 56 CA HIS A 56 256.467 232.919 250.150 1.00 0.00 C +ATOM 57 CA SER A 57 257.241 229.375 251.315 1.00 0.00 C +ATOM 58 CA ASP A 58 260.938 228.663 251.898 1.00 0.00 C +ATOM 59 CA SER A 59 261.640 229.231 255.600 1.00 0.00 C +ATOM 60 CA ASP A 60 264.078 227.485 257.950 1.00 0.00 C +ATOM 61 CA ASN A 61 265.239 223.936 257.194 1.00 0.00 C +ATOM 62 CA SER A 62 264.517 220.511 258.697 1.00 0.00 C +ATOM 63 CA GLU A 63 266.189 217.332 257.425 1.00 0.00 C +ATOM 64 CA SER A 64 268.720 218.417 254.792 1.00 0.00 C +ATOM 65 CA LYS A 65 267.257 218.675 251.284 1.00 0.00 C +ATOM 66 CA ILE A 66 267.354 220.756 248.094 1.00 0.00 C +ATOM 67 CA MET A 67 268.752 223.353 245.682 1.00 0.00 C +ATOM 68 CA LYS A 68 267.757 226.742 247.111 1.00 0.00 C +ATOM 69 CA LYS A 69 267.281 230.062 248.919 1.00 0.00 C +ATOM 70 CA PRO A 70 266.467 232.929 251.293 1.00 0.00 C +ATOM 71 CA THR A 71 266.608 232.934 255.101 1.00 0.00 C +ATOM 72 CA THR A 72 264.530 234.211 258.028 1.00 0.00 C +ATOM 73 CA GLN A 73 263.647 234.184 261.734 1.00 0.00 C +ATOM 74 CA GLN A 74 261.990 232.664 264.809 1.00 0.00 C +ATOM 75 CA HIS A 75 258.530 231.253 264.065 1.00 0.00 C +ATOM 76 CA VAL A 76 255.329 233.287 264.422 1.00 0.00 C +ATOM 77 CA GLU A 77 252.024 233.256 266.318 1.00 0.00 C +ATOM 78 CA GLU A 78 249.307 230.589 266.175 1.00 0.00 C +ATOM 79 CA SER A 79 247.126 229.565 269.126 1.00 0.00 C +ATOM 80 CA GLU A 80 246.162 229.043 272.775 1.00 0.00 C +ATOM 81 CA GLY A 81 248.545 229.476 275.717 1.00 0.00 C +ATOM 82 CA GLU A 82 249.812 232.459 277.720 1.00 0.00 C +ATOM 83 CA VAL A 83 248.585 235.750 279.196 1.00 0.00 C +ATOM 84 CA GLN A 84 247.223 237.237 282.428 1.00 0.00 C +TER 85 GLN A 84 +END diff --git a/Fungi/A0A420HWC1/A0A420HWC1.dcd b/Fungi/A0A420HWC1/A0A420HWC1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..6214c54f383efa1a5c9b13242f20e9d39d08a553 --- /dev/null +++ b/Fungi/A0A420HWC1/A0A420HWC1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2964263b0cbafbc8cf544bd0dcdcb18c00ab9cc0f6a2d2601ca06fbb1635ca40 +size 9080276 diff --git a/Fungi/A0A420HWC1/top.pdb b/Fungi/A0A420HWC1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a06e410f69c61f9eb5a5e43176e05b716af47714 --- /dev/null +++ b/Fungi/A0A420HWC1/top.pdb @@ -0,0 +1,73 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 242.366 259.815 281.691 1.00 0.00 C +ATOM 2 CA SER A 2 239.516 261.990 280.400 1.00 0.00 C +ATOM 3 CA VAL A 3 236.158 262.732 278.762 1.00 0.00 C +ATOM 4 CA SER A 4 232.581 263.800 278.000 1.00 0.00 C +ATOM 5 CA THR A 5 230.979 265.713 275.121 1.00 0.00 C +ATOM 6 CA SER A 6 231.222 269.015 273.236 1.00 0.00 C +ATOM 7 CA LYS A 7 228.300 269.792 270.918 1.00 0.00 C +ATOM 8 CA THR A 8 225.603 269.813 268.227 1.00 0.00 C +ATOM 9 CA ASN A 9 226.200 272.829 265.976 1.00 0.00 C +ATOM 10 CA HIS A 10 226.725 276.594 266.236 1.00 0.00 C +ATOM 11 CA ASP A 11 230.224 278.046 265.832 1.00 0.00 C +ATOM 12 CA ARG A 12 232.817 275.424 264.876 1.00 0.00 C +ATOM 13 CA VAL A 13 233.402 271.659 264.830 1.00 0.00 C +ATOM 14 CA PHE A 14 235.214 269.255 267.164 1.00 0.00 C +ATOM 15 CA MET A 15 238.322 271.066 268.422 1.00 0.00 C +ATOM 16 CA SER A 16 241.223 270.254 270.754 1.00 0.00 C +ATOM 17 CA PRO A 17 244.611 268.511 270.804 1.00 0.00 C +ATOM 18 CA ASN A 18 244.118 264.950 272.064 1.00 0.00 C +ATOM 19 CA GLU A 19 241.473 263.082 274.071 1.00 0.00 C +ATOM 20 CA HIS A 20 239.817 259.654 274.212 1.00 0.00 C +ATOM 21 CA SER A 21 236.475 260.052 272.426 1.00 0.00 C +ATOM 22 CA GLY A 22 235.921 263.192 270.341 1.00 0.00 C +ATOM 23 CA LYS A 23 237.458 262.377 266.951 1.00 0.00 C +ATOM 24 CA ASN A 24 236.326 260.464 263.857 1.00 0.00 C +ATOM 25 CA SER A 25 238.061 259.556 260.588 1.00 0.00 C +ATOM 26 CA LEU A 26 236.725 260.696 257.207 1.00 0.00 C +ATOM 27 CA PHE A 27 235.492 260.666 253.602 1.00 0.00 C +ATOM 28 CA LEU A 28 235.774 259.375 250.028 1.00 0.00 C +ATOM 29 CA SER A 29 235.108 261.113 246.704 1.00 0.00 C +ATOM 30 CA HIS A 30 234.672 258.562 243.909 1.00 0.00 C +ATOM 31 CA SER A 31 237.781 258.080 241.759 1.00 0.00 C +ATOM 32 CA ASP A 32 240.086 257.742 238.745 1.00 0.00 C +ATOM 33 CA PHE A 33 243.453 256.024 239.227 1.00 0.00 C +ATOM 34 CA THR A 34 246.799 255.744 241.026 1.00 0.00 C +ATOM 35 CA PRO A 35 248.661 253.918 243.804 1.00 0.00 C +ATOM 36 CA PRO A 36 250.738 250.849 242.919 1.00 0.00 C +ATOM 37 CA ASP A 37 254.405 250.934 243.951 1.00 0.00 C +ATOM 38 CA GLN A 38 257.893 251.311 245.436 1.00 0.00 C +ATOM 39 CA SER A 39 257.615 251.783 249.207 1.00 0.00 C +ATOM 40 CA ARG A 40 255.282 249.655 251.339 1.00 0.00 C +ATOM 41 CA SER A 41 256.105 246.924 253.866 1.00 0.00 C +ATOM 42 CA SER A 42 258.735 248.100 256.359 1.00 0.00 C +ATOM 43 CA THR A 43 260.249 250.564 258.838 1.00 0.00 C +ATOM 44 CA GLY A 44 263.975 250.719 259.621 1.00 0.00 C +ATOM 45 CA GLU A 45 267.499 249.807 258.497 1.00 0.00 C +ATOM 46 CA PHE A 46 270.081 248.804 255.880 1.00 0.00 C +ATOM 47 CA ASN A 47 273.188 247.482 254.115 1.00 0.00 C +ATOM 48 CA ASN A 48 273.304 246.518 250.431 1.00 0.00 C +ATOM 49 CA ARG A 49 273.195 246.443 246.623 1.00 0.00 C +ATOM 50 CA HIS A 50 271.195 243.618 245.032 1.00 0.00 C +ATOM 51 CA SER A 51 269.916 241.170 242.408 1.00 0.00 C +ATOM 52 CA LYS A 52 269.939 237.806 240.618 1.00 0.00 C +ATOM 53 CA LYS A 53 266.910 236.000 239.176 1.00 0.00 C +ATOM 54 CA VAL A 54 267.025 236.632 235.421 1.00 0.00 C +ATOM 55 CA PRO A 55 265.544 235.089 232.267 1.00 0.00 C +ATOM 56 CA GLY A 56 267.832 234.363 229.308 1.00 0.00 C +ATOM 57 CA ILE A 57 267.976 232.145 226.214 1.00 0.00 C +ATOM 58 CA ASN A 58 266.399 229.109 224.537 1.00 0.00 C +ATOM 59 CA TYR A 59 267.598 225.796 225.985 1.00 0.00 C +ATOM 60 CA MET A 60 267.035 222.093 226.684 1.00 0.00 C +ATOM 61 CA ASN A 61 263.742 220.807 225.265 1.00 0.00 C +ATOM 62 CA MET A 62 261.529 220.393 222.191 1.00 0.00 C +ATOM 63 CA LYS A 63 260.516 216.973 220.852 1.00 0.00 C +ATOM 64 CA GLU A 64 260.642 216.614 217.061 1.00 0.00 C +ATOM 65 CA CYS A 65 259.582 214.365 214.174 1.00 0.00 C +ATOM 66 CA THR A 66 257.408 212.558 211.620 1.00 0.00 C +ATOM 67 CA PRO A 67 259.708 211.034 208.993 1.00 0.00 C +ATOM 68 CA GLN A 68 262.287 209.840 206.455 1.00 0.00 C +ATOM 69 CA LEU A 69 265.288 212.147 206.890 1.00 0.00 C +TER 70 LEU A 69 +END diff --git a/Fungi/A0A420J112/A0A420J112.dcd b/Fungi/A0A420J112/A0A420J112.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8e6281dc74ae84ecb65e5d0ef85010431d9e81b5 --- /dev/null +++ b/Fungi/A0A420J112/A0A420J112.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3936291fd79b1ae0ae005faf42c27bc8402b07a07d991d0c9e9fca2efbe47982 +size 10880276 diff --git a/Fungi/A0A420J112/top.pdb b/Fungi/A0A420J112/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..eb95feb2c91bb398eec2dc42fae6574cc0d1be9a --- /dev/null +++ b/Fungi/A0A420J112/top.pdb @@ -0,0 +1,88 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 263.719 252.630 263.754 1.00 0.00 C +ATOM 2 CA SER A 2 260.379 254.021 262.559 1.00 0.00 C +ATOM 3 CA TYR A 3 257.280 255.994 261.552 1.00 0.00 C +ATOM 4 CA ARG A 4 255.766 255.691 258.069 1.00 0.00 C +ATOM 5 CA VAL A 5 257.163 252.679 256.202 1.00 0.00 C +ATOM 6 CA PRO A 6 255.672 251.643 252.853 1.00 0.00 C +ATOM 7 CA ILE A 7 258.132 249.802 250.599 1.00 0.00 C +ATOM 8 CA GLN A 8 259.641 249.380 247.126 1.00 0.00 C +ATOM 9 CA ASP A 9 262.285 251.700 245.661 1.00 0.00 C +ATOM 10 CA THR A 10 260.934 255.247 245.337 1.00 0.00 C +ATOM 11 CA ASP A 11 258.317 255.704 242.606 1.00 0.00 C +ATOM 12 CA SER A 12 257.364 253.416 239.713 1.00 0.00 C +ATOM 13 CA THR A 13 253.930 254.211 238.266 1.00 0.00 C +ATOM 14 CA ASP A 14 250.942 255.484 236.274 1.00 0.00 C +ATOM 15 CA ASP A 15 247.635 254.302 237.751 1.00 0.00 C +ATOM 16 CA ASP A 16 244.214 252.954 236.754 1.00 0.00 C +ATOM 17 CA ARG A 17 241.897 249.929 236.747 1.00 0.00 C +ATOM 18 CA SER A 18 242.135 246.490 235.125 1.00 0.00 C +ATOM 19 CA PHE A 19 245.373 245.042 236.516 1.00 0.00 C +ATOM 20 CA HIS A 20 246.197 242.138 234.192 1.00 0.00 C +ATOM 21 CA SER A 21 247.374 238.710 233.017 1.00 0.00 C +ATOM 22 CA GLY A 22 248.825 236.578 235.821 1.00 0.00 C +ATOM 23 CA SER A 23 247.333 233.942 238.131 1.00 0.00 C +ATOM 24 CA ASN A 24 243.773 235.156 238.743 1.00 0.00 C +ATOM 25 CA SER A 25 241.432 237.181 240.963 1.00 0.00 C +ATOM 26 CA PRO A 26 241.779 240.888 240.157 1.00 0.00 C +ATOM 27 CA MET A 27 238.732 242.824 241.375 1.00 0.00 C +ATOM 28 CA SER A 28 238.496 246.611 241.028 1.00 0.00 C +ATOM 29 CA GLN A 29 235.114 247.979 242.127 1.00 0.00 C +ATOM 30 CA ASN A 30 232.347 246.675 244.400 1.00 0.00 C +ATOM 31 CA ASN A 31 232.513 247.731 248.057 1.00 0.00 C +ATOM 32 CA ASN A 32 234.574 245.176 249.991 1.00 0.00 C +ATOM 33 CA GLN A 33 235.272 241.592 248.904 1.00 0.00 C +ATOM 34 CA ALA A 34 238.497 240.479 247.208 1.00 0.00 C +ATOM 35 CA ARG A 35 242.296 240.621 246.954 1.00 0.00 C +ATOM 36 CA ALA A 36 245.709 241.183 245.358 1.00 0.00 C +ATOM 37 CA SER A 37 249.367 241.052 246.418 1.00 0.00 C +ATOM 38 CA SER A 38 252.898 242.088 247.403 1.00 0.00 C +ATOM 39 CA ASP A 39 256.150 240.894 248.991 1.00 0.00 C +ATOM 40 CA GLY A 40 255.156 237.718 250.845 1.00 0.00 C +ATOM 41 CA ASN A 41 254.195 238.029 254.519 1.00 0.00 C +ATOM 42 CA TYR A 42 250.451 238.434 255.092 1.00 0.00 C +ATOM 43 CA ASN A 43 246.680 238.196 254.603 1.00 0.00 C +ATOM 44 CA THR A 44 245.116 234.936 253.401 1.00 0.00 C +ATOM 45 CA GLU A 45 242.783 233.482 256.039 1.00 0.00 C +ATOM 46 CA GLU A 46 243.688 230.424 258.123 1.00 0.00 C +ATOM 47 CA GLN A 47 246.538 230.320 260.650 1.00 0.00 C +ATOM 48 CA LEU A 48 246.991 232.025 264.026 1.00 0.00 C +ATOM 49 CA ARG A 49 246.614 235.788 263.562 1.00 0.00 C +ATOM 50 CA GLY A 50 244.262 238.737 264.093 1.00 0.00 C +ATOM 51 CA SER A 51 243.151 240.694 261.019 1.00 0.00 C +ATOM 52 CA ALA A 52 240.478 238.635 259.250 1.00 0.00 C +ATOM 53 CA ILE A 53 237.678 240.134 257.144 1.00 0.00 C +ATOM 54 CA PRO A 54 233.881 240.427 257.236 1.00 0.00 C +ATOM 55 CA GLN A 55 232.834 243.701 255.593 1.00 0.00 C +ATOM 56 CA GLU A 56 232.794 246.798 257.811 1.00 0.00 C +ATOM 57 CA GLN A 57 235.230 249.699 258.216 1.00 0.00 C +ATOM 58 CA HIS A 58 235.803 253.402 257.522 1.00 0.00 C +ATOM 59 CA GLN A 59 237.204 253.588 253.983 1.00 0.00 C +ATOM 60 CA SER A 60 239.691 252.281 251.410 1.00 0.00 C +ATOM 61 CA GLY A 61 241.703 251.456 248.281 1.00 0.00 C +ATOM 62 CA PHE A 62 244.002 251.706 245.254 1.00 0.00 C +ATOM 63 CA HIS A 63 247.717 250.972 244.832 1.00 0.00 C +ATOM 64 CA GLN A 64 250.395 253.016 243.055 1.00 0.00 C +ATOM 65 CA ALA A 65 249.952 256.795 243.267 1.00 0.00 C +ATOM 66 CA GLY A 66 251.794 260.083 242.712 1.00 0.00 C +ATOM 67 CA SER A 67 255.276 261.625 242.817 1.00 0.00 C +ATOM 68 CA THR A 68 257.127 264.824 243.746 1.00 0.00 C +ATOM 69 CA ASN A 69 259.887 265.804 246.182 1.00 0.00 C +ATOM 70 CA ALA A 70 263.092 265.365 248.195 1.00 0.00 C +ATOM 71 CA PRO A 71 264.597 262.993 250.769 1.00 0.00 C +ATOM 72 CA ILE A 72 262.250 260.142 251.707 1.00 0.00 C +ATOM 73 CA LEU A 73 258.707 260.369 250.324 1.00 0.00 C +ATOM 74 CA THR A 74 257.002 263.660 251.208 1.00 0.00 C +ATOM 75 CA PRO A 75 258.551 265.032 254.407 1.00 0.00 C +ATOM 76 CA ASP A 76 258.028 263.594 257.896 1.00 0.00 C +ATOM 77 CA MET A 77 259.165 266.155 260.477 1.00 0.00 C +ATOM 78 CA PHE A 78 261.190 268.609 262.573 1.00 0.00 C +ATOM 79 CA GLN A 79 264.817 269.051 261.491 1.00 0.00 C +ATOM 80 CA SER A 80 268.476 269.819 260.757 1.00 0.00 C +ATOM 81 CA ILE A 81 271.909 269.837 262.410 1.00 0.00 C +ATOM 82 CA CYS A 82 273.156 273.421 262.744 1.00 0.00 C +ATOM 83 CA GLU A 83 272.765 276.228 260.198 1.00 0.00 C +ATOM 84 CA ASN A 84 275.773 276.177 257.860 1.00 0.00 C +TER 85 ASN A 84 +END diff --git a/Fungi/A0A423WJR0/A0A423WJR0.dcd b/Fungi/A0A423WJR0/A0A423WJR0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..dae0369682853914e7c428057bcd5302bb8e16c0 --- /dev/null +++ b/Fungi/A0A423WJR0/A0A423WJR0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5f6d9bfb5ce8e882d2a7e7d964cdb5e93562b50cebf800c9cb129a1610e92f0b +size 11840276 diff --git a/Fungi/A0A423WJR0/top.pdb b/Fungi/A0A423WJR0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4fff7b8002327041becc82608746147ec91cd947 --- /dev/null +++ b/Fungi/A0A423WJR0/top.pdb @@ -0,0 +1,96 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 185.408 257.568 260.300 1.00 0.00 C +ATOM 2 CA ASP A 2 188.654 259.536 259.966 1.00 0.00 C +ATOM 3 CA ALA A 3 191.458 261.844 261.116 1.00 0.00 C +ATOM 4 CA GLN A 4 194.162 263.777 259.253 1.00 0.00 C +ATOM 5 CA SER A 5 196.207 265.996 261.578 1.00 0.00 C +ATOM 6 CA THR A 6 199.656 264.598 262.398 1.00 0.00 C +ATOM 7 CA GLN A 7 201.929 264.991 259.366 1.00 0.00 C +ATOM 8 CA SER A 8 203.227 261.490 258.604 1.00 0.00 C +ATOM 9 CA VAL A 9 204.533 257.917 258.393 1.00 0.00 C +ATOM 10 CA LYS A 10 204.491 255.357 255.572 1.00 0.00 C +ATOM 11 CA GLY A 11 203.492 251.708 255.121 1.00 0.00 C +ATOM 12 CA SER A 12 203.472 247.899 255.189 1.00 0.00 C +ATOM 13 CA TYR A 13 200.711 245.614 253.894 1.00 0.00 C +ATOM 14 CA PRO A 14 199.800 245.761 250.197 1.00 0.00 C +ATOM 15 CA ALA A 15 198.050 247.402 247.237 1.00 0.00 C +ATOM 16 CA SER A 16 200.524 248.978 244.806 1.00 0.00 C +ATOM 17 CA ASN A 17 204.244 248.193 245.049 1.00 0.00 C +ATOM 18 CA THR A 18 206.712 247.712 247.912 1.00 0.00 C +ATOM 19 CA ALA A 19 210.316 248.334 246.844 1.00 0.00 C +ATOM 20 CA ALA A 20 213.763 247.370 245.538 1.00 0.00 C +ATOM 21 CA SER A 21 217.445 246.658 244.866 1.00 0.00 C +ATOM 22 CA SER A 22 221.178 246.633 245.628 1.00 0.00 C +ATOM 23 CA HIS A 23 223.614 249.364 244.568 1.00 0.00 C +ATOM 24 CA HIS A 24 225.480 251.108 241.741 1.00 0.00 C +ATOM 25 CA ASP A 25 226.074 254.330 239.796 1.00 0.00 C +ATOM 26 CA ALA A 26 226.173 257.688 237.999 1.00 0.00 C +ATOM 27 CA ALA A 27 229.209 258.244 235.765 1.00 0.00 C +ATOM 28 CA GLU A 28 232.750 259.272 234.804 1.00 0.00 C +ATOM 29 CA GLN A 29 236.314 257.971 235.151 1.00 0.00 C +ATOM 30 CA SER A 30 238.568 256.963 232.250 1.00 0.00 C +ATOM 31 CA LEU A 31 241.446 254.760 233.425 1.00 0.00 C +ATOM 32 CA LEU A 32 243.171 254.842 236.822 1.00 0.00 C +ATOM 33 CA GLN A 33 243.650 258.153 238.645 1.00 0.00 C +ATOM 34 CA GLN A 34 246.157 260.935 237.946 1.00 0.00 C +ATOM 35 CA GLN A 35 248.280 262.992 235.543 1.00 0.00 C +ATOM 36 CA ARG A 36 251.054 262.217 233.049 1.00 0.00 C +ATOM 37 CA LEU A 37 250.913 263.765 229.571 1.00 0.00 C +ATOM 38 CA ASP A 38 253.839 266.163 229.119 1.00 0.00 C +ATOM 39 CA ALA A 39 257.587 266.784 229.403 1.00 0.00 C +ATOM 40 CA PHE A 40 260.193 266.200 232.120 1.00 0.00 C +ATOM 41 CA LYS A 41 261.664 264.719 235.308 1.00 0.00 C +ATOM 42 CA SER A 42 262.873 264.806 238.920 1.00 0.00 C +ATOM 43 CA GLU A 43 265.530 266.468 241.087 1.00 0.00 C +ATOM 44 CA PRO A 44 266.262 267.598 244.651 1.00 0.00 C +ATOM 45 CA TRP A 45 266.309 270.714 246.843 1.00 0.00 C +ATOM 46 CA GLU A 46 266.975 273.585 244.429 1.00 0.00 C +ATOM 47 CA SER A 47 265.707 273.266 240.851 1.00 0.00 C +ATOM 48 CA GLY A 48 267.427 275.927 238.735 1.00 0.00 C +ATOM 49 CA ASN A 49 267.348 279.728 238.494 1.00 0.00 C +ATOM 50 CA ARG A 50 270.250 281.356 236.636 1.00 0.00 C +ATOM 51 CA LEU A 51 273.037 279.053 235.435 1.00 0.00 C +ATOM 52 CA VAL A 52 274.175 275.985 233.484 1.00 0.00 C +ATOM 53 CA ALA A 53 276.560 273.810 235.509 1.00 0.00 C +ATOM 54 CA LEU A 54 275.032 273.161 238.939 1.00 0.00 C +ATOM 55 CA PRO A 55 272.734 270.782 240.828 1.00 0.00 C +ATOM 56 CA TYR A 56 274.980 268.044 242.232 1.00 0.00 C +ATOM 57 CA ARG A 57 273.401 264.951 243.799 1.00 0.00 C +ATOM 58 CA ASN A 58 270.682 263.202 245.815 1.00 0.00 C +ATOM 59 CA PRO A 59 272.505 261.904 248.898 1.00 0.00 C +ATOM 60 CA PRO A 60 270.923 260.215 251.925 1.00 0.00 C +ATOM 61 CA THR A 61 271.737 259.750 255.618 1.00 0.00 C +ATOM 62 CA GLU A 62 270.029 256.697 257.126 1.00 0.00 C +ATOM 63 CA ALA A 63 267.508 254.151 255.830 1.00 0.00 C +ATOM 64 CA SER A 64 265.550 252.657 258.737 1.00 0.00 C +ATOM 65 CA ARG A 65 264.753 250.530 261.796 1.00 0.00 C +ATOM 66 CA LEU A 66 266.010 247.189 263.126 1.00 0.00 C +ATOM 67 CA SER A 67 267.945 244.283 264.654 1.00 0.00 C +ATOM 68 CA GLN A 68 267.803 240.493 265.016 1.00 0.00 C +ATOM 69 CA GLY A 69 266.859 238.058 267.790 1.00 0.00 C +ATOM 70 CA PRO A 70 265.193 234.924 266.406 1.00 0.00 C +ATOM 71 CA PRO A 71 265.839 232.745 263.348 1.00 0.00 C +ATOM 72 CA PRO A 72 269.089 233.595 261.550 1.00 0.00 C +ATOM 73 CA ALA A 73 272.020 233.363 263.973 1.00 0.00 C +ATOM 74 CA LYS A 74 273.246 230.062 265.427 1.00 0.00 C +ATOM 75 CA LEU A 75 276.176 227.850 264.407 1.00 0.00 C +ATOM 76 CA PRO A 76 279.589 226.584 263.282 1.00 0.00 C +ATOM 77 CA GLN A 77 282.556 228.392 261.719 1.00 0.00 C +ATOM 78 CA GLY A 78 285.222 229.880 259.440 1.00 0.00 C +ATOM 79 CA LEU A 79 288.734 229.345 258.064 1.00 0.00 C +ATOM 80 CA ARG A 80 289.239 225.599 257.587 1.00 0.00 C +ATOM 81 CA GLY A 81 290.470 223.716 260.662 1.00 0.00 C +ATOM 82 CA VAL A 82 290.714 219.959 260.080 1.00 0.00 C +ATOM 83 CA GLY A 83 289.113 217.348 257.814 1.00 0.00 C +ATOM 84 CA SER A 84 287.246 214.080 258.405 1.00 0.00 C +ATOM 85 CA TRP A 85 285.253 212.673 261.332 1.00 0.00 C +ATOM 86 CA ALA A 86 281.811 214.305 261.410 1.00 0.00 C +ATOM 87 CA ASP A 87 278.350 215.309 260.173 1.00 0.00 C +ATOM 88 CA SER A 88 274.844 215.639 261.627 1.00 0.00 C +ATOM 89 CA SER A 89 271.515 213.799 261.408 1.00 0.00 C +ATOM 90 CA GLY A 90 272.462 210.231 260.465 1.00 0.00 C +ATOM 91 CA ARG A 91 271.800 206.516 259.937 1.00 0.00 C +ATOM 92 CA ASN A 92 273.045 203.918 262.430 1.00 0.00 C +TER 93 ASN A 92 +END diff --git a/Fungi/A0A428SWY1/A0A428SWY1.dcd b/Fungi/A0A428SWY1/A0A428SWY1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f419e409bd444b914deeefa12fc51a3d08255dfa --- /dev/null +++ b/Fungi/A0A428SWY1/A0A428SWY1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:df8bb7b5d3b6ee7e17acc2c85a0fe10142dc0a0cf59108a2892621c43372f620 +size 14720276 diff --git a/Fungi/A0A428SWY1/top.pdb b/Fungi/A0A428SWY1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ff4d33aa0d216d7efc5535c6889e2430b2a41316 --- /dev/null +++ b/Fungi/A0A428SWY1/top.pdb @@ -0,0 +1,120 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 217.165 247.225 210.035 1.00 0.00 C +ATOM 2 CA ALA A 2 217.303 247.312 206.228 1.00 0.00 C +ATOM 3 CA GLN A 3 215.982 249.128 203.151 1.00 0.00 C +ATOM 4 CA ARG A 4 218.823 248.997 200.615 1.00 0.00 C +ATOM 5 CA GLY A 5 220.762 246.006 199.271 1.00 0.00 C +ATOM 6 CA GLY A 6 221.359 242.326 200.054 1.00 0.00 C +ATOM 7 CA GLU A 7 222.084 240.271 203.180 1.00 0.00 C +ATOM 8 CA GLY A 8 222.910 242.786 205.920 1.00 0.00 C +ATOM 9 CA PRO A 9 223.883 246.428 205.367 1.00 0.00 C +ATOM 10 CA GLY A 10 227.362 247.909 204.895 1.00 0.00 C +ATOM 11 CA PRO A 11 229.822 245.180 205.901 1.00 0.00 C +ATOM 12 CA GLY A 12 231.620 242.110 207.267 1.00 0.00 C +ATOM 13 CA VAL A 13 234.706 241.719 209.467 1.00 0.00 C +ATOM 14 CA ALA A 14 236.655 240.916 212.641 1.00 0.00 C +ATOM 15 CA THR A 15 238.134 241.764 216.048 1.00 0.00 C +ATOM 16 CA ALA A 16 240.270 241.997 219.194 1.00 0.00 C +ATOM 17 CA GLU A 17 238.728 244.311 221.798 1.00 0.00 C +ATOM 18 CA ALA A 18 240.435 247.651 222.468 1.00 0.00 C +ATOM 19 CA PRO A 19 242.154 247.428 225.861 1.00 0.00 C +ATOM 20 CA VAL A 20 243.993 248.362 229.065 1.00 0.00 C +ATOM 21 CA VAL A 21 247.731 247.635 229.172 1.00 0.00 C +ATOM 22 CA ARG A 22 250.586 245.318 230.168 1.00 0.00 C +ATOM 23 CA ASP A 23 252.204 244.521 233.524 1.00 0.00 C +ATOM 24 CA VAL A 24 251.946 242.137 236.485 1.00 0.00 C +ATOM 25 CA SER A 25 251.342 238.947 238.479 1.00 0.00 C +ATOM 26 CA ASP A 26 253.122 235.855 237.141 1.00 0.00 C +ATOM 27 CA TRP A 27 251.939 233.966 234.051 1.00 0.00 C +ATOM 28 CA GLU A 28 250.343 235.567 230.985 1.00 0.00 C +ATOM 29 CA ILE A 29 252.917 238.080 229.730 1.00 0.00 C +ATOM 30 CA PHE A 30 256.539 238.065 230.914 1.00 0.00 C +ATOM 31 CA SER A 31 260.146 237.714 229.737 1.00 0.00 C +ATOM 32 CA ASP A 32 260.259 235.685 226.515 1.00 0.00 C +ATOM 33 CA ASP A 33 260.393 232.362 224.655 1.00 0.00 C +ATOM 34 CA SER A 34 260.326 228.636 223.864 1.00 0.00 C +ATOM 35 CA SER A 35 258.584 225.463 222.674 1.00 0.00 C +ATOM 36 CA ASP A 36 255.071 225.315 224.142 1.00 0.00 C +ATOM 37 CA SER A 37 252.493 223.456 222.041 1.00 0.00 C +ATOM 38 CA ASP A 38 251.324 223.780 218.430 1.00 0.00 C +ATOM 39 CA THR A 39 248.479 222.470 216.259 1.00 0.00 C +ATOM 40 CA SER A 40 247.848 218.912 217.465 1.00 0.00 C +ATOM 41 CA GLU A 41 249.257 216.928 220.397 1.00 0.00 C +ATOM 42 CA ASN A 42 249.851 216.336 224.113 1.00 0.00 C +ATOM 43 CA THR A 43 253.226 216.174 225.874 1.00 0.00 C +ATOM 44 CA VAL A 44 255.849 216.648 228.596 1.00 0.00 C +ATOM 45 CA ASP A 45 255.490 214.720 231.863 1.00 0.00 C +ATOM 46 CA CYS A 46 257.455 213.177 234.740 1.00 0.00 C +ATOM 47 CA LEU A 47 256.633 214.728 238.121 1.00 0.00 C +ATOM 48 CA GLN A 48 255.054 218.138 238.752 1.00 0.00 C +ATOM 49 CA PRO A 49 252.527 218.844 241.514 1.00 0.00 C +ATOM 50 CA THR A 50 249.924 220.813 243.480 1.00 0.00 C +ATOM 51 CA VAL A 51 251.141 223.921 245.317 1.00 0.00 C +ATOM 52 CA PRO A 52 250.820 226.155 248.387 1.00 0.00 C +ATOM 53 CA ALA A 53 251.820 229.683 249.419 1.00 0.00 C +ATOM 54 CA ALA A 54 253.838 232.757 248.422 1.00 0.00 C +ATOM 55 CA GLN A 55 252.802 236.129 249.861 1.00 0.00 C +ATOM 56 CA ALA A 56 253.369 239.696 248.646 1.00 0.00 C +ATOM 57 CA ARG A 57 253.543 241.841 245.502 1.00 0.00 C +ATOM 58 CA PRO A 58 256.744 243.046 243.824 1.00 0.00 C +ATOM 59 CA ALA A 59 256.398 245.824 241.239 1.00 0.00 C +ATOM 60 CA THR A 60 253.882 248.406 242.473 1.00 0.00 C +ATOM 61 CA ALA A 61 252.755 250.524 245.433 1.00 0.00 C +ATOM 62 CA GLY A 62 255.714 250.711 247.825 1.00 0.00 C +ATOM 63 CA ALA A 63 259.462 251.312 247.501 1.00 0.00 C +ATOM 64 CA GLY A 64 260.397 253.715 250.306 1.00 0.00 C +ATOM 65 CA ALA A 65 263.114 256.384 250.409 1.00 0.00 C +ATOM 66 CA ASP A 66 265.765 256.179 253.137 1.00 0.00 C +ATOM 67 CA PRO A 67 267.146 258.461 255.859 1.00 0.00 C +ATOM 68 CA LEU A 68 265.270 259.223 259.086 1.00 0.00 C +ATOM 69 CA ASP A 69 263.414 256.623 261.161 1.00 0.00 C +ATOM 70 CA PRO A 70 263.002 257.779 264.768 1.00 0.00 C +ATOM 71 CA GLY A 71 263.968 257.636 268.451 1.00 0.00 C +ATOM 72 CA ARG A 72 265.990 257.684 271.680 1.00 0.00 C +ATOM 73 CA LYS A 73 264.117 259.152 274.654 1.00 0.00 C +ATOM 74 CA GLY A 74 264.340 256.605 277.479 1.00 0.00 C +ATOM 75 CA GLU A 75 267.469 256.886 279.633 1.00 0.00 C +ATOM 76 CA VAL A 76 268.598 260.349 280.750 1.00 0.00 C +ATOM 77 CA ARG A 77 266.349 262.606 282.841 1.00 0.00 C +ATOM 78 CA PRO A 78 265.820 265.318 285.463 1.00 0.00 C +ATOM 79 CA GLY A 79 263.958 268.573 284.788 1.00 0.00 C +ATOM 80 CA THR A 80 260.919 270.190 286.422 1.00 0.00 C +ATOM 81 CA GLY A 81 260.680 273.944 287.027 1.00 0.00 C +ATOM 82 CA ASN A 82 261.868 277.483 286.265 1.00 0.00 C +ATOM 83 CA ASP A 83 263.066 280.580 288.133 1.00 0.00 C +ATOM 84 CA GLU A 84 260.206 281.596 290.436 1.00 0.00 C +ATOM 85 CA ARG A 85 256.539 282.626 290.333 1.00 0.00 C +ATOM 86 CA ARG A 86 252.907 281.481 290.455 1.00 0.00 C +ATOM 87 CA PRO A 87 252.712 278.367 288.268 1.00 0.00 C +ATOM 88 CA THR A 88 253.090 276.839 284.799 1.00 0.00 C +ATOM 89 CA TRP A 89 252.857 278.801 281.541 1.00 0.00 C +ATOM 90 CA TRP A 90 250.040 278.517 278.991 1.00 0.00 C +ATOM 91 CA ARG A 91 246.400 278.815 277.905 1.00 0.00 C +ATOM 92 CA ARG A 92 242.841 277.465 277.743 1.00 0.00 C +ATOM 93 CA PHE A 93 240.074 276.071 279.960 1.00 0.00 C +ATOM 94 CA THR A 94 239.092 273.339 282.426 1.00 0.00 C +ATOM 95 CA LYS A 95 236.093 271.198 281.457 1.00 0.00 C +ATOM 96 CA GLU A 96 236.668 270.219 277.821 1.00 0.00 C +ATOM 97 CA HIS A 97 236.456 269.367 274.113 1.00 0.00 C +ATOM 98 CA ILE A 98 239.355 267.060 273.223 1.00 0.00 C +ATOM 99 CA GLY A 99 242.971 265.903 273.535 1.00 0.00 C +ATOM 100 CA GLN A 100 246.361 266.021 275.270 1.00 0.00 C +ATOM 101 CA LYS A 101 249.080 265.544 277.896 1.00 0.00 C +ATOM 102 CA LEU A 102 252.443 266.458 276.356 1.00 0.00 C +ATOM 103 CA GLU A 103 255.428 268.378 274.969 1.00 0.00 C +ATOM 104 CA PRO A 104 259.054 269.536 274.806 1.00 0.00 C +ATOM 105 CA LYS A 105 259.356 273.250 275.603 1.00 0.00 C +ATOM 106 CA PRO A 106 257.830 274.315 278.927 1.00 0.00 C +ATOM 107 CA GLU A 107 256.214 271.837 281.327 1.00 0.00 C +ATOM 108 CA PRO A 108 255.421 268.288 282.466 1.00 0.00 C +ATOM 109 CA LYS A 109 254.654 264.556 282.475 1.00 0.00 C +ATOM 110 CA THR A 110 255.447 260.830 282.421 1.00 0.00 C +ATOM 111 CA ARG A 111 254.380 257.812 280.355 1.00 0.00 C +ATOM 112 CA ARG A 112 250.579 257.809 280.618 1.00 0.00 C +ATOM 113 CA GLY A 113 247.221 259.167 281.799 1.00 0.00 C +ATOM 114 CA GLU A 114 244.098 257.447 283.142 1.00 0.00 C +ATOM 115 CA THR A 115 243.260 253.954 281.872 1.00 0.00 C +ATOM 116 CA SER A 116 240.331 251.542 282.225 1.00 0.00 C +TER 117 SER A 116 +END diff --git a/Fungi/A0A433DJ81/A0A433DJ81.dcd b/Fungi/A0A433DJ81/A0A433DJ81.dcd new file mode 100644 index 0000000000000000000000000000000000000000..ad12b2cdabfb26006e02ddda20844ae865f7ebaf --- /dev/null +++ b/Fungi/A0A433DJ81/A0A433DJ81.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5390f04e4aefffd2bedd4d6f46f562160e94fdea4a1767fd734ca32a0f2c0429 +size 16520276 diff --git a/Fungi/A0A433DJ81/top.pdb b/Fungi/A0A433DJ81/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4739ff503c7f7f43705bedf1e476e099bbae8648 --- /dev/null +++ b/Fungi/A0A433DJ81/top.pdb @@ -0,0 +1,135 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 241.565 296.081 300.858 1.00 0.00 C +ATOM 2 CA SER A 2 245.064 295.954 302.359 1.00 0.00 C +ATOM 3 CA LEU A 3 247.524 293.438 300.899 1.00 0.00 C +ATOM 4 CA PRO A 4 248.048 289.845 299.744 1.00 0.00 C +ATOM 5 CA ARG A 5 244.975 287.845 298.707 1.00 0.00 C +ATOM 6 CA LYS A 6 241.699 286.089 299.543 1.00 0.00 C +ATOM 7 CA ASP A 7 238.817 288.555 299.191 1.00 0.00 C +ATOM 8 CA LYS A 8 236.821 291.558 297.960 1.00 0.00 C +ATOM 9 CA GLN A 9 235.185 294.141 295.687 1.00 0.00 C +ATOM 10 CA PRO A 10 233.866 295.803 292.522 1.00 0.00 C +ATOM 11 CA ILE A 11 234.972 299.364 291.740 1.00 0.00 C +ATOM 12 CA GLN A 12 237.594 299.048 288.994 1.00 0.00 C +ATOM 13 CA PRO A 13 237.866 296.019 286.699 1.00 0.00 C +ATOM 14 CA THR A 14 238.670 296.738 283.045 1.00 0.00 C +ATOM 15 CA ALA A 15 241.650 299.112 283.098 1.00 0.00 C +ATOM 16 CA ASP A 16 244.846 299.838 281.155 1.00 0.00 C +ATOM 17 CA ASP A 17 246.921 297.482 278.997 1.00 0.00 C +ATOM 18 CA LEU A 18 247.980 293.861 278.469 1.00 0.00 C +ATOM 19 CA ALA A 19 247.378 290.190 277.641 1.00 0.00 C +ATOM 20 CA LYS A 20 247.361 286.819 279.415 1.00 0.00 C +ATOM 21 CA ASP A 21 250.628 284.858 279.373 1.00 0.00 C +ATOM 22 CA GLU A 22 254.406 284.516 279.015 1.00 0.00 C +ATOM 23 CA GLY A 23 256.098 283.276 275.834 1.00 0.00 C +ATOM 24 CA ALA A 24 259.664 284.600 276.046 1.00 0.00 C +ATOM 25 CA PRO A 25 262.039 283.330 278.740 1.00 0.00 C +ATOM 26 CA GLU A 26 262.622 279.565 278.721 1.00 0.00 C +ATOM 27 CA LYS A 27 262.375 278.523 275.065 1.00 0.00 C +ATOM 28 CA GLU A 28 263.220 277.627 271.459 1.00 0.00 C +ATOM 29 CA GLU A 29 261.037 275.175 269.526 1.00 0.00 C +ATOM 30 CA ALA A 30 262.546 271.920 268.245 1.00 0.00 C +ATOM 31 CA GLU A 31 266.175 272.797 267.482 1.00 0.00 C +ATOM 32 CA GLU A 32 267.796 274.574 264.527 1.00 0.00 C +ATOM 33 CA VAL A 33 269.642 277.117 262.374 1.00 0.00 C +ATOM 34 CA GLU A 34 268.114 280.296 260.934 1.00 0.00 C +ATOM 35 CA GLU A 35 269.272 281.725 257.597 1.00 0.00 C +ATOM 36 CA GLU A 36 271.969 279.370 256.294 1.00 0.00 C +ATOM 37 CA GLY A 37 273.714 277.577 253.421 1.00 0.00 C +ATOM 38 CA GLU A 38 273.374 273.951 252.301 1.00 0.00 C +ATOM 39 CA GLU A 39 273.317 273.128 248.581 1.00 0.00 C +ATOM 40 CA GLU A 40 272.770 269.960 246.536 1.00 0.00 C +ATOM 41 CA ASP A 41 270.067 267.783 248.106 1.00 0.00 C +ATOM 42 CA THR A 42 270.173 264.995 250.700 1.00 0.00 C +ATOM 43 CA PRO A 43 267.671 263.213 252.954 1.00 0.00 C +ATOM 44 CA GLU A 44 268.793 259.580 253.196 1.00 0.00 C +ATOM 45 CA PRO A 45 269.041 255.839 252.517 1.00 0.00 C +ATOM 46 CA PRO A 46 267.871 254.439 249.172 1.00 0.00 C +ATOM 47 CA GLU A 47 265.562 256.561 247.009 1.00 0.00 C +ATOM 48 CA LEU A 48 261.933 256.970 248.098 1.00 0.00 C +ATOM 49 CA VAL A 49 258.968 258.841 249.589 1.00 0.00 C +ATOM 50 CA PRO A 50 257.325 259.358 252.987 1.00 0.00 C +ATOM 51 CA ILE A 51 256.593 256.010 254.652 1.00 0.00 C +ATOM 52 CA GLN A 52 253.088 254.517 254.579 1.00 0.00 C +ATOM 53 CA ALA A 53 252.393 251.872 251.926 1.00 0.00 C +ATOM 54 CA LEU A 54 253.572 248.263 252.242 1.00 0.00 C +ATOM 55 CA HIS A 55 254.267 245.024 250.360 1.00 0.00 C +ATOM 56 CA ARG A 56 254.687 241.987 248.098 1.00 0.00 C +ATOM 57 CA MET A 57 255.424 241.043 244.481 1.00 0.00 C +ATOM 58 CA LYS A 58 254.228 243.069 241.484 1.00 0.00 C +ATOM 59 CA LEU A 59 253.816 244.541 237.994 1.00 0.00 C +ATOM 60 CA ASN A 60 256.887 246.426 236.756 1.00 0.00 C +ATOM 61 CA PRO A 61 259.802 244.136 237.635 1.00 0.00 C +ATOM 62 CA LEU A 62 263.245 243.420 236.167 1.00 0.00 C +ATOM 63 CA GLN A 63 266.140 240.950 236.351 1.00 0.00 C +ATOM 64 CA LYS A 64 267.880 238.377 234.145 1.00 0.00 C +ATOM 65 CA LYS A 65 265.453 236.629 231.785 1.00 0.00 C +ATOM 66 CA GLY A 66 266.202 238.018 228.317 1.00 0.00 C +ATOM 67 CA ALA A 67 266.603 241.686 227.370 1.00 0.00 C +ATOM 68 CA HIS A 68 265.294 241.959 223.802 1.00 0.00 C +ATOM 69 CA ARG A 69 268.372 242.395 221.600 1.00 0.00 C +ATOM 70 CA ASN A 70 269.375 244.848 218.863 1.00 0.00 C +ATOM 71 CA PRO A 71 269.788 246.442 215.427 1.00 0.00 C +ATOM 72 CA PHE A 72 267.807 244.790 212.623 1.00 0.00 C +ATOM 73 CA SER A 73 264.171 245.925 212.740 1.00 0.00 C +ATOM 74 CA SER A 74 261.313 247.048 214.995 1.00 0.00 C +ATOM 75 CA PRO A 75 260.325 243.945 216.973 1.00 0.00 C +ATOM 76 CA THR A 76 258.900 244.802 220.401 1.00 0.00 C +ATOM 77 CA ASP A 77 255.816 243.004 221.735 1.00 0.00 C +ATOM 78 CA LYS A 78 254.819 243.300 225.400 1.00 0.00 C +ATOM 79 CA MET A 79 256.912 243.645 228.565 1.00 0.00 C +ATOM 80 CA LEU A 80 259.689 242.747 231.014 1.00 0.00 C +ATOM 81 CA SER A 81 259.737 239.025 231.830 1.00 0.00 C +ATOM 82 CA PRO A 82 257.088 236.743 233.343 1.00 0.00 C +ATOM 83 CA ALA A 83 254.154 238.116 235.348 1.00 0.00 C +ATOM 84 CA THR A 84 253.431 236.049 238.467 1.00 0.00 C +ATOM 85 CA GLN A 85 256.617 235.473 240.475 1.00 0.00 C +ATOM 86 CA LYS A 86 257.697 233.073 243.230 1.00 0.00 C +ATOM 87 CA LEU A 87 260.968 231.836 244.741 1.00 0.00 C +ATOM 88 CA ALA A 88 263.573 231.307 242.011 1.00 0.00 C +ATOM 89 CA GLN A 89 266.249 230.873 239.334 1.00 0.00 C +ATOM 90 CA LYS A 90 266.124 228.632 236.255 1.00 0.00 C +ATOM 91 CA ARG A 91 262.802 226.815 235.834 1.00 0.00 C +ATOM 92 CA ASN A 92 261.830 224.272 238.499 1.00 0.00 C +ATOM 93 CA LYS A 93 262.229 223.870 242.266 1.00 0.00 C +ATOM 94 CA LEU A 94 260.323 221.924 244.930 1.00 0.00 C +ATOM 95 CA GLN A 95 256.542 221.459 244.851 1.00 0.00 C +ATOM 96 CA GLN A 96 255.184 223.829 247.508 1.00 0.00 C +ATOM 97 CA LYS A 97 252.845 225.877 249.710 1.00 0.00 C +ATOM 98 CA ILE A 98 250.826 224.131 252.428 1.00 0.00 C +ATOM 99 CA GLN A 99 251.003 220.827 254.318 1.00 0.00 C +ATOM 100 CA PRO A 100 250.802 217.223 253.099 1.00 0.00 C +ATOM 101 CA LYS A 101 253.694 216.742 250.666 1.00 0.00 C +ATOM 102 CA PHE A 102 253.549 215.912 246.950 1.00 0.00 C +ATOM 103 CA LEU A 103 249.967 215.073 245.959 1.00 0.00 C +ATOM 104 CA ALA A 104 246.394 215.309 247.261 1.00 0.00 C +ATOM 105 CA SER A 105 244.252 217.892 245.457 1.00 0.00 C +ATOM 106 CA LYS A 106 242.451 220.784 243.751 1.00 0.00 C +ATOM 107 CA LEU A 107 238.643 220.721 243.869 1.00 0.00 C +ATOM 108 CA ARG A 108 236.553 220.214 240.724 1.00 0.00 C +ATOM 109 CA ALA A 109 235.315 222.644 238.063 1.00 0.00 C +ATOM 110 CA ALA A 110 232.808 223.883 235.476 1.00 0.00 C +ATOM 111 CA ALA A 111 230.619 226.547 237.097 1.00 0.00 C +ATOM 112 CA LEU A 112 226.966 227.611 236.898 1.00 0.00 C +ATOM 113 CA GLU A 113 224.073 227.162 234.459 1.00 0.00 C +ATOM 114 CA ASP A 114 224.055 223.981 232.363 1.00 0.00 C +ATOM 115 CA GLU A 115 224.842 220.547 233.815 1.00 0.00 C +ATOM 116 CA GLU A 116 223.154 217.221 234.595 1.00 0.00 C +ATOM 117 CA GLU A 117 220.971 214.424 235.982 1.00 0.00 C +ATOM 118 CA ASN A 118 219.120 215.360 239.178 1.00 0.00 C +ATOM 119 CA LYS A 119 216.279 216.652 241.363 1.00 0.00 C +ATOM 120 CA ALA A 120 213.105 214.598 241.835 1.00 0.00 C +ATOM 121 CA THR A 121 210.438 215.939 239.468 1.00 0.00 C +ATOM 122 CA LYS A 122 210.446 218.176 236.384 1.00 0.00 C +ATOM 123 CA GLY A 123 210.169 220.136 233.129 1.00 0.00 C +ATOM 124 CA ALA A 124 206.867 221.351 231.666 1.00 0.00 C +ATOM 125 CA THR A 125 207.116 221.208 227.866 1.00 0.00 C +ATOM 126 CA LYS A 126 208.895 218.157 226.437 1.00 0.00 C +ATOM 127 CA GLY A 127 212.085 218.944 224.507 1.00 0.00 C +ATOM 128 CA ALA A 128 213.883 219.387 221.178 1.00 0.00 C +ATOM 129 CA THR A 129 215.152 218.903 217.618 1.00 0.00 C +ATOM 130 CA ALA A 130 214.005 220.111 214.192 1.00 0.00 C +ATOM 131 CA GLU A 131 214.264 222.998 211.718 1.00 0.00 C +TER 132 GLU A 131 +END diff --git a/Fungi/A0A433Q878/A0A433Q878.dcd b/Fungi/A0A433Q878/A0A433Q878.dcd new file mode 100644 index 0000000000000000000000000000000000000000..ef48bad9e62b61e5c21d2ab6d28e4ca405a866d9 --- /dev/null +++ b/Fungi/A0A433Q878/A0A433Q878.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bd1ff78bb0c85846e3d03cbaaea913b6040523831641ee4d65140306e1b9638e +size 12800276 diff --git a/Fungi/A0A433Q878/top.pdb b/Fungi/A0A433Q878/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4a5f146e7d51c909474ac705a89952d104d45582 --- /dev/null +++ b/Fungi/A0A433Q878/top.pdb @@ -0,0 +1,104 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 218.221 213.482 210.668 1.00 0.00 C +ATOM 2 CA TYR A 2 219.477 213.337 214.262 1.00 0.00 C +ATOM 3 CA VAL A 3 221.023 211.857 217.414 1.00 0.00 C +ATOM 4 CA GLN A 4 219.956 214.184 220.235 1.00 0.00 C +ATOM 5 CA TYR A 5 217.453 213.375 222.991 1.00 0.00 C +ATOM 6 CA ILE A 6 213.918 213.706 224.375 1.00 0.00 C +ATOM 7 CA ASN A 7 210.687 215.557 223.569 1.00 0.00 C +ATOM 8 CA GLY A 8 209.056 217.988 226.007 1.00 0.00 C +ATOM 9 CA LYS A 9 209.362 216.603 229.544 1.00 0.00 C +ATOM 10 CA PRO A 10 211.131 213.680 231.228 1.00 0.00 C +ATOM 11 CA LYS A 11 210.489 209.996 230.496 1.00 0.00 C +ATOM 12 CA PHE A 12 210.788 206.331 231.493 1.00 0.00 C +ATOM 13 CA PRO A 13 210.177 202.900 233.032 1.00 0.00 C +ATOM 14 CA GLY A 14 209.009 203.576 236.595 1.00 0.00 C +ATOM 15 CA HIS A 15 206.702 204.317 239.536 1.00 0.00 C +ATOM 16 CA LEU A 16 206.240 204.220 243.316 1.00 0.00 C +ATOM 17 CA PRO A 17 209.618 203.403 244.877 1.00 0.00 C +ATOM 18 CA CYS A 18 213.319 202.568 244.523 1.00 0.00 C +ATOM 19 CA SER A 19 214.980 199.347 243.347 1.00 0.00 C +ATOM 20 CA ASN A 20 218.278 197.891 242.116 1.00 0.00 C +ATOM 21 CA PRO A 21 220.856 198.425 239.362 1.00 0.00 C +ATOM 22 CA THR A 22 221.376 202.130 238.640 1.00 0.00 C +ATOM 23 CA PRO A 23 224.057 203.736 240.819 1.00 0.00 C +ATOM 24 CA LEU A 24 226.489 203.409 243.733 1.00 0.00 C +ATOM 25 CA PRO A 25 228.035 206.198 245.818 1.00 0.00 C +ATOM 26 CA PRO A 26 229.976 208.590 248.059 1.00 0.00 C +ATOM 27 CA LEU A 27 231.293 211.877 249.466 1.00 0.00 C +ATOM 28 CA TYR A 28 233.925 214.562 248.848 1.00 0.00 C +ATOM 29 CA HIS A 29 235.474 217.497 250.720 1.00 0.00 C +ATOM 30 CA ILE A 30 238.114 220.240 250.857 1.00 0.00 C +ATOM 31 CA PRO A 31 237.725 223.907 251.813 1.00 0.00 C +ATOM 32 CA SER A 32 237.803 227.509 250.574 1.00 0.00 C +ATOM 33 CA THR A 33 239.743 230.017 252.688 1.00 0.00 C +ATOM 34 CA ALA A 34 241.590 232.890 254.376 1.00 0.00 C +ATOM 35 CA THR A 35 243.975 234.565 251.922 1.00 0.00 C +ATOM 36 CA SER A 36 242.935 237.843 250.284 1.00 0.00 C +ATOM 37 CA SER A 37 240.887 240.960 251.066 1.00 0.00 C +ATOM 38 CA PRO A 38 240.073 243.578 253.711 1.00 0.00 C +ATOM 39 CA GLY A 39 241.442 246.235 256.074 1.00 0.00 C +ATOM 40 CA HIS A 40 243.654 249.333 255.910 1.00 0.00 C +ATOM 41 CA LEU A 41 244.706 250.666 252.499 1.00 0.00 C +ATOM 42 CA PRO A 42 247.846 248.832 251.360 1.00 0.00 C +ATOM 43 CA CYS A 43 251.128 250.755 251.570 1.00 0.00 C +ATOM 44 CA SER A 44 253.175 253.618 250.111 1.00 0.00 C +ATOM 45 CA ASP A 45 255.830 256.152 251.134 1.00 0.00 C +ATOM 46 CA PRO A 46 255.204 259.804 250.249 1.00 0.00 C +ATOM 47 CA THR A 47 258.342 261.067 248.497 1.00 0.00 C +ATOM 48 CA PRO A 48 261.809 259.756 247.612 1.00 0.00 C +ATOM 49 CA LEU A 49 265.500 259.896 246.679 1.00 0.00 C +ATOM 50 CA PHE A 50 268.330 258.396 248.742 1.00 0.00 C +ATOM 51 CA PRO A 51 269.132 255.103 250.482 1.00 0.00 C +ATOM 52 CA PRO A 52 270.432 251.570 251.069 1.00 0.00 C +ATOM 53 CA PRO A 53 270.986 248.330 252.995 1.00 0.00 C +ATOM 54 CA LEU A 54 270.449 244.580 253.406 1.00 0.00 C +ATOM 55 CA LEU A 55 267.943 243.519 256.073 1.00 0.00 C +ATOM 56 CA PRO A 56 264.957 245.610 257.179 1.00 0.00 C +ATOM 57 CA PRO A 57 262.950 248.232 255.277 1.00 0.00 C +ATOM 58 CA PRO A 58 263.072 251.947 256.115 1.00 0.00 C +ATOM 59 CA PRO A 59 260.948 253.461 258.892 1.00 0.00 C +ATOM 60 CA PRO A 60 259.728 256.912 257.835 1.00 0.00 C +ATOM 61 CA PRO A 61 257.920 258.661 260.697 1.00 0.00 C +ATOM 62 CA PRO A 62 256.288 256.954 263.687 1.00 0.00 C +ATOM 63 CA LEU A 63 254.461 259.281 266.088 1.00 0.00 C +ATOM 64 CA PRO A 64 252.527 262.319 267.332 1.00 0.00 C +ATOM 65 CA PRO A 65 253.026 266.002 266.496 1.00 0.00 C +ATOM 66 CA PRO A 66 255.150 268.966 265.391 1.00 0.00 C +ATOM 67 CA PRO A 67 254.223 270.549 262.051 1.00 0.00 C +ATOM 68 CA PRO A 68 256.271 271.928 259.149 1.00 0.00 C +ATOM 69 CA ARG A 69 257.225 269.442 256.424 1.00 0.00 C +ATOM 70 CA SER A 70 257.913 270.742 252.910 1.00 0.00 C +ATOM 71 CA PRO A 71 259.479 272.490 249.909 1.00 0.00 C +ATOM 72 CA PRO A 72 262.666 274.138 248.627 1.00 0.00 C +ATOM 73 CA PRO A 73 265.894 276.077 248.050 1.00 0.00 C +ATOM 74 CA THR A 74 268.193 278.657 246.444 1.00 0.00 C +ATOM 75 CA LEU A 75 269.803 281.963 247.441 1.00 0.00 C +ATOM 76 CA THR A 76 272.030 281.378 250.476 1.00 0.00 C +ATOM 77 CA GLN A 77 272.602 284.557 252.497 1.00 0.00 C +ATOM 78 CA SER A 78 273.373 285.827 256.005 1.00 0.00 C +ATOM 79 CA HIS A 79 276.695 285.641 257.862 1.00 0.00 C +ATOM 80 CA THR A 80 278.618 282.353 257.951 1.00 0.00 C +ATOM 81 CA PRO A 81 279.290 278.926 259.474 1.00 0.00 C +ATOM 82 CA SER A 82 282.612 277.060 259.483 1.00 0.00 C +ATOM 83 CA ILE A 83 285.136 276.369 256.715 1.00 0.00 C +ATOM 84 CA LEU A 84 287.450 278.443 254.510 1.00 0.00 C +ATOM 85 CA SER A 85 288.817 281.998 254.604 1.00 0.00 C +ATOM 86 CA PRO A 86 289.591 285.441 256.041 1.00 0.00 C +ATOM 87 CA SER A 87 287.654 285.778 259.305 1.00 0.00 C +ATOM 88 CA PRO A 88 285.300 288.767 259.506 1.00 0.00 C +ATOM 89 CA HIS A 89 282.031 290.677 259.087 1.00 0.00 C +ATOM 90 CA PRO A 90 279.026 293.012 259.287 1.00 0.00 C +ATOM 91 CA LEU A 91 278.524 296.788 259.349 1.00 0.00 C +ATOM 92 CA ARG A 92 275.227 298.697 259.279 1.00 0.00 C +ATOM 93 CA PRO A 93 275.195 301.434 261.930 1.00 0.00 C +ATOM 94 CA ARG A 94 274.853 305.219 261.654 1.00 0.00 C +ATOM 95 CA ASN A 95 271.298 306.085 260.591 1.00 0.00 C +ATOM 96 CA PRO A 96 268.701 303.397 261.332 1.00 0.00 C +ATOM 97 CA HIS A 97 268.373 302.515 265.023 1.00 0.00 C +ATOM 98 CA ILE A 98 269.415 300.889 268.308 1.00 0.00 C +ATOM 99 CA ARG A 99 268.104 299.698 271.681 1.00 0.00 C +ATOM 100 CA PRO A 100 267.273 300.857 275.214 1.00 0.00 C +TER 101 PRO A 100 +END diff --git a/Fungi/A0A433QMG3/A0A433QMG3.dcd b/Fungi/A0A433QMG3/A0A433QMG3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e9ba7b9a7e132a28055165eebcb6d81f16e44d99 --- /dev/null +++ b/Fungi/A0A433QMG3/A0A433QMG3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:67b0a546259171182806dda4848434acfce52bfcbf180e2eb44d2dd255c686d8 +size 9200276 diff --git a/Fungi/A0A433QMG3/top.pdb b/Fungi/A0A433QMG3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..829a0b8b661fe26d09a42addeab66a0a1b6ca588 --- /dev/null +++ b/Fungi/A0A433QMG3/top.pdb @@ -0,0 +1,74 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 289.795 244.062 250.191 1.00 0.00 C +ATOM 2 CA HIS A 2 291.037 247.380 251.592 1.00 0.00 C +ATOM 3 CA THR A 3 288.895 249.541 253.885 1.00 0.00 C +ATOM 4 CA MET A 4 285.194 249.735 254.766 1.00 0.00 C +ATOM 5 CA PHE A 5 281.452 250.453 254.770 1.00 0.00 C +ATOM 6 CA THR A 6 279.583 253.691 254.032 1.00 0.00 C +ATOM 7 CA THR A 7 277.003 254.493 251.347 1.00 0.00 C +ATOM 8 CA HIS A 8 278.188 257.444 249.248 1.00 0.00 C +ATOM 9 CA HIS A 9 279.515 260.674 247.725 1.00 0.00 C +ATOM 10 CA ARG A 10 276.439 262.629 246.615 1.00 0.00 C +ATOM 11 CA LEU A 11 274.000 265.302 247.808 1.00 0.00 C +ATOM 12 CA SER A 12 271.581 267.796 246.245 1.00 0.00 C +ATOM 13 CA TRP A 13 268.858 270.269 247.239 1.00 0.00 C +ATOM 14 CA LYS A 14 265.714 268.306 248.121 1.00 0.00 C +ATOM 15 CA SER A 15 263.198 270.000 250.427 1.00 0.00 C +ATOM 16 CA GLN A 16 260.802 272.919 250.932 1.00 0.00 C +ATOM 17 CA PRO A 17 257.148 272.791 252.002 1.00 0.00 C +ATOM 18 CA ILE A 18 255.122 275.227 249.886 1.00 0.00 C +ATOM 19 CA PRO A 19 254.934 274.739 246.112 1.00 0.00 C +ATOM 20 CA THR A 20 252.812 271.847 244.828 1.00 0.00 C +ATOM 21 CA GLN A 21 249.671 270.527 246.533 1.00 0.00 C +ATOM 22 CA PRO A 22 247.162 273.362 246.958 1.00 0.00 C +ATOM 23 CA ASN A 23 243.686 274.862 246.527 1.00 0.00 C +ATOM 24 CA LEU A 24 240.702 273.892 248.687 1.00 0.00 C +ATOM 25 CA THR A 25 240.931 273.515 252.471 1.00 0.00 C +ATOM 26 CA TYR A 26 241.601 270.778 255.037 1.00 0.00 C +ATOM 27 CA PRO A 27 242.410 269.088 258.354 1.00 0.00 C +ATOM 28 CA ASN A 28 241.249 267.236 261.475 1.00 0.00 C +ATOM 29 CA PRO A 29 243.489 264.215 262.084 1.00 0.00 C +ATOM 30 CA THR A 30 246.095 263.029 259.571 1.00 0.00 C +ATOM 31 CA GLN A 31 249.309 263.079 257.526 1.00 0.00 C +ATOM 32 CA PRO A 32 249.313 266.093 255.196 1.00 0.00 C +ATOM 33 CA ASN A 33 249.058 265.352 251.468 1.00 0.00 C +ATOM 34 CA PRO A 34 251.015 263.029 249.168 1.00 0.00 C +ATOM 35 CA SER A 35 253.220 261.073 246.753 1.00 0.00 C +ATOM 36 CA GLN A 36 250.785 259.531 244.262 1.00 0.00 C +ATOM 37 CA PRO A 37 248.187 256.869 245.090 1.00 0.00 C +ATOM 38 CA ASN A 38 244.732 255.266 245.026 1.00 0.00 C +ATOM 39 CA PRO A 39 242.400 252.254 245.102 1.00 0.00 C +ATOM 40 CA THR A 40 242.097 249.487 247.704 1.00 0.00 C +ATOM 41 CA HIS A 41 242.891 245.784 247.295 1.00 0.00 C +ATOM 42 CA PRO A 42 245.028 242.883 248.533 1.00 0.00 C +ATOM 43 CA ILE A 43 244.732 239.881 250.861 1.00 0.00 C +ATOM 44 CA ILE A 44 241.456 238.340 252.051 1.00 0.00 C +ATOM 45 CA PHE A 45 241.653 234.543 251.819 1.00 0.00 C +ATOM 46 CA PRO A 46 244.784 233.502 253.726 1.00 0.00 C +ATOM 47 CA ILE A 47 247.274 231.449 251.702 1.00 0.00 C +ATOM 48 CA THR A 48 250.982 232.159 252.215 1.00 0.00 C +ATOM 49 CA TYR A 49 253.888 229.751 252.733 1.00 0.00 C +ATOM 50 CA PRO A 50 253.928 227.024 255.394 1.00 0.00 C +ATOM 51 CA ASN A 51 250.434 225.514 255.560 1.00 0.00 C +ATOM 52 CA SER A 52 249.166 222.407 253.756 1.00 0.00 C +ATOM 53 CA THR A 53 247.403 221.541 250.491 1.00 0.00 C +ATOM 54 CA PRO A 54 248.440 223.817 247.617 1.00 0.00 C +ATOM 55 CA ILE A 55 245.851 224.373 244.877 1.00 0.00 C +ATOM 56 CA PRO A 56 242.207 224.044 245.939 1.00 0.00 C +ATOM 57 CA THR A 57 240.196 224.189 242.707 1.00 0.00 C +ATOM 58 CA GLN A 58 237.910 225.944 240.214 1.00 0.00 C +ATOM 59 CA PRO A 59 234.684 227.560 238.991 1.00 0.00 C +ATOM 60 CA GLN A 60 232.300 228.576 241.783 1.00 0.00 C +ATOM 61 CA PRO A 61 228.748 229.169 243.029 1.00 0.00 C +ATOM 62 CA ILE A 62 226.536 229.721 246.082 1.00 0.00 C +ATOM 63 CA PRO A 63 228.776 230.720 248.998 1.00 0.00 C +ATOM 64 CA THR A 64 226.660 232.538 251.594 1.00 0.00 C +ATOM 65 CA LEU A 65 224.445 235.572 252.228 1.00 0.00 C +ATOM 66 CA ARG A 66 221.145 236.074 250.393 1.00 0.00 C +ATOM 67 CA GLU A 67 220.264 239.228 248.447 1.00 0.00 C +ATOM 68 CA THR A 68 219.695 242.880 249.371 1.00 0.00 C +ATOM 69 CA PRO A 69 219.209 243.395 253.115 1.00 0.00 C +ATOM 70 CA SER A 70 220.929 245.586 255.715 1.00 0.00 C +TER 71 SER A 70 +END diff --git a/Fungi/A0A437A0C1/A0A437A0C1.dcd b/Fungi/A0A437A0C1/A0A437A0C1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..7c665aea7522dbe3853ee1dd2af41f140c1b0257 --- /dev/null +++ b/Fungi/A0A437A0C1/A0A437A0C1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:70c04bd4a5b67e51138726eaba743db26c1c1da0559c1d8505eb54931b542c7e +size 21200276 diff --git a/Fungi/A0A437A0C1/top.pdb b/Fungi/A0A437A0C1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..63b4037b44a2dd8b06da8f2c28cd69fb3b68757b --- /dev/null +++ b/Fungi/A0A437A0C1/top.pdb @@ -0,0 +1,174 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 191.255 200.459 278.732 1.00 0.00 C +ATOM 2 CA ALA A 2 190.149 202.296 275.583 1.00 0.00 C +ATOM 3 CA SER A 3 191.149 205.946 275.143 1.00 0.00 C +ATOM 4 CA GLN A 4 193.760 208.620 274.404 1.00 0.00 C +ATOM 5 CA GLU A 5 197.270 209.788 275.317 1.00 0.00 C +ATOM 6 CA SER A 6 199.637 212.623 276.253 1.00 0.00 C +ATOM 7 CA THR A 7 200.002 215.027 279.186 1.00 0.00 C +ATOM 8 CA ALA A 8 200.857 215.443 282.876 1.00 0.00 C +ATOM 9 CA GLN A 9 200.243 217.738 285.855 1.00 0.00 C +ATOM 10 CA ALA A 10 199.696 220.958 287.816 1.00 0.00 C +ATOM 11 CA VAL A 11 199.037 224.686 288.242 1.00 0.00 C +ATOM 12 CA ASP A 12 199.172 228.138 286.635 1.00 0.00 C +ATOM 13 CA GLU A 13 201.491 231.018 285.717 1.00 0.00 C +ATOM 14 CA GLN A 14 204.872 231.574 287.383 1.00 0.00 C +ATOM 15 CA GLU A 15 208.486 232.452 286.554 1.00 0.00 C +ATOM 16 CA GLN A 16 211.821 230.835 285.671 1.00 0.00 C +ATOM 17 CA ILE A 17 215.432 232.051 285.702 1.00 0.00 C +ATOM 18 CA GLN A 18 218.069 234.061 287.579 1.00 0.00 C +ATOM 19 CA GLU A 19 221.391 235.925 287.655 1.00 0.00 C +ATOM 20 CA GLN A 20 223.002 236.100 284.207 1.00 0.00 C +ATOM 21 CA SER A 21 225.867 235.007 281.946 1.00 0.00 C +ATOM 22 CA GLU A 22 229.655 235.407 282.044 1.00 0.00 C +ATOM 23 CA GLN A 23 232.847 236.216 280.127 1.00 0.00 C +ATOM 24 CA LEU A 24 236.629 236.562 280.421 1.00 0.00 C +ATOM 25 CA GLN A 25 238.755 235.701 277.378 1.00 0.00 C +ATOM 26 CA GLU A 26 242.397 234.741 277.954 1.00 0.00 C +ATOM 27 CA ALA A 27 243.451 231.519 276.215 1.00 0.00 C +ATOM 28 CA THR A 28 245.153 231.123 272.830 1.00 0.00 C +ATOM 29 CA GLU A 29 244.390 227.848 271.038 1.00 0.00 C +ATOM 30 CA LEU A 30 245.973 224.473 270.249 1.00 0.00 C +ATOM 31 CA ALA A 31 248.640 224.800 267.549 1.00 0.00 C +ATOM 32 CA PRO A 32 250.416 222.617 264.980 1.00 0.00 C +ATOM 33 CA PRO A 33 253.344 222.346 262.557 1.00 0.00 C +ATOM 34 CA SER A 34 256.524 224.426 262.829 1.00 0.00 C +ATOM 35 CA PRO A 35 256.130 228.143 263.570 1.00 0.00 C +ATOM 36 CA PRO A 36 254.750 231.685 263.817 1.00 0.00 C +ATOM 37 CA PRO A 37 253.776 233.369 267.093 1.00 0.00 C +ATOM 38 CA SER A 38 250.369 233.658 268.773 1.00 0.00 C +ATOM 39 CA ASP A 39 249.036 237.222 268.976 1.00 0.00 C +ATOM 40 CA SER A 40 245.919 238.708 267.366 1.00 0.00 C +ATOM 41 CA GLU A 41 243.090 240.824 268.793 1.00 0.00 C +ATOM 42 CA ALA A 42 240.990 238.753 271.204 1.00 0.00 C +ATOM 43 CA ARG A 43 237.428 238.134 270.003 1.00 0.00 C +ATOM 44 CA THR A 44 234.588 239.821 268.103 1.00 0.00 C +ATOM 45 CA PRO A 45 233.252 239.127 264.604 1.00 0.00 C +ATOM 46 CA GLU A 46 229.467 238.792 264.879 1.00 0.00 C +ATOM 47 CA GLU A 47 226.564 236.335 265.124 1.00 0.00 C +ATOM 48 CA PRO A 48 223.396 237.853 263.649 1.00 0.00 C +ATOM 49 CA SER A 49 223.433 241.549 264.570 1.00 0.00 C +ATOM 50 CA TYR A 50 223.129 243.919 267.538 1.00 0.00 C +ATOM 51 CA SER A 51 225.072 245.079 270.604 1.00 0.00 C +ATOM 52 CA SER A 52 227.902 242.560 271.000 1.00 0.00 C +ATOM 53 CA ASN A 53 231.005 244.071 272.615 1.00 0.00 C +ATOM 54 CA ASN A 54 233.115 245.630 269.853 1.00 0.00 C +ATOM 55 CA SER A 55 235.117 248.835 269.366 1.00 0.00 C +ATOM 56 CA PRO A 56 233.828 252.352 270.061 1.00 0.00 C +ATOM 57 CA HIS A 57 236.383 254.895 271.296 1.00 0.00 C +ATOM 58 CA ARG A 58 237.925 255.655 274.696 1.00 0.00 C +ATOM 59 CA PRO A 59 240.987 253.393 274.856 1.00 0.00 C +ATOM 60 CA HIS A 60 244.680 254.225 274.428 1.00 0.00 C +ATOM 61 CA HIS A 61 247.227 255.483 276.966 1.00 0.00 C +ATOM 62 CA LEU A 62 245.740 257.420 279.891 1.00 0.00 C +ATOM 63 CA THR A 63 245.934 256.628 283.613 1.00 0.00 C +ATOM 64 CA THR A 64 245.075 258.619 286.745 1.00 0.00 C +ATOM 65 CA THR A 65 244.329 257.714 290.371 1.00 0.00 C +ATOM 66 CA SER A 66 246.603 254.848 291.437 1.00 0.00 C +ATOM 67 CA ARG A 67 249.723 254.595 289.266 1.00 0.00 C +ATOM 68 CA PRO A 68 253.104 254.899 287.536 1.00 0.00 C +ATOM 69 CA PRO A 69 254.111 255.162 283.871 1.00 0.00 C +ATOM 70 CA SER A 70 256.619 257.045 281.707 1.00 0.00 C +ATOM 71 CA PHE A 71 256.751 260.708 282.746 1.00 0.00 C +ATOM 72 CA ALA A 72 258.305 262.500 279.764 1.00 0.00 C +ATOM 73 CA ALA A 73 258.880 260.757 276.425 1.00 0.00 C +ATOM 74 CA SER A 74 256.313 261.176 273.640 1.00 0.00 C +ATOM 75 CA THR A 75 252.851 262.764 273.588 1.00 0.00 C +ATOM 76 CA THR A 76 249.412 262.246 275.145 1.00 0.00 C +ATOM 77 CA SER A 77 248.415 263.907 278.425 1.00 0.00 C +ATOM 78 CA SER A 78 246.561 266.039 280.982 1.00 0.00 C +ATOM 79 CA SER A 79 244.559 264.143 283.611 1.00 0.00 C +ATOM 80 CA ARG A 80 241.028 263.142 282.589 1.00 0.00 C +ATOM 81 CA ARG A 81 237.741 261.215 282.557 1.00 0.00 C +ATOM 82 CA ALA A 82 238.410 257.810 284.130 1.00 0.00 C +ATOM 83 CA ALA A 83 238.725 254.025 284.435 1.00 0.00 C +ATOM 84 CA GLU A 84 237.279 252.007 281.546 1.00 0.00 C +ATOM 85 CA ALA A 85 237.904 248.316 282.258 1.00 0.00 C +ATOM 86 CA SER A 86 237.326 244.551 282.284 1.00 0.00 C +ATOM 87 CA ASN A 87 238.443 243.409 278.825 1.00 0.00 C +ATOM 88 CA HIS A 88 240.657 245.393 276.442 1.00 0.00 C +ATOM 89 CA ASN A 89 239.890 246.146 272.787 1.00 0.00 C +ATOM 90 CA SER A 90 241.524 247.073 269.472 1.00 0.00 C +ATOM 91 CA SER A 91 242.351 247.478 265.775 1.00 0.00 C +ATOM 92 CA MET A 92 245.046 249.229 263.728 1.00 0.00 C +ATOM 93 CA ILE A 93 247.399 247.847 261.070 1.00 0.00 C +ATOM 94 CA SER A 94 249.867 245.027 260.383 1.00 0.00 C +ATOM 95 CA PRO A 95 251.130 244.946 256.789 1.00 0.00 C +ATOM 96 CA ALA A 96 253.702 247.430 255.472 1.00 0.00 C +ATOM 97 CA ALA A 97 256.444 245.848 253.352 1.00 0.00 C +ATOM 98 CA THR A 98 259.776 245.673 255.191 1.00 0.00 C +ATOM 99 CA THR A 99 260.800 249.076 256.564 1.00 0.00 C +ATOM 100 CA THR A 100 259.823 251.616 253.897 1.00 0.00 C +ATOM 101 CA SER A 101 257.324 254.336 254.831 1.00 0.00 C +ATOM 102 CA THR A 102 255.542 257.478 253.621 1.00 0.00 C +ATOM 103 CA SER A 103 257.579 259.860 251.455 1.00 0.00 C +ATOM 104 CA SER A 104 259.770 262.565 249.904 1.00 0.00 C +ATOM 105 CA ILE A 105 261.095 264.842 247.152 1.00 0.00 C +ATOM 106 CA ARG A 106 259.950 268.367 246.268 1.00 0.00 C +ATOM 107 CA SER A 107 257.443 271.125 247.056 1.00 0.00 C +ATOM 108 CA ARG A 108 257.358 273.476 244.060 1.00 0.00 C +ATOM 109 CA SER A 109 254.897 274.677 241.410 1.00 0.00 C +ATOM 110 CA GLY A 110 252.724 275.154 238.317 1.00 0.00 C +ATOM 111 CA GLY A 111 249.715 273.401 236.772 1.00 0.00 C +ATOM 112 CA ASP A 112 250.305 269.712 237.521 1.00 0.00 C +ATOM 113 CA ARG A 113 247.343 267.339 237.186 1.00 0.00 C +ATOM 114 CA GLY A 114 245.417 268.298 234.042 1.00 0.00 C +ATOM 115 CA GLY A 115 247.595 269.027 231.002 1.00 0.00 C +ATOM 116 CA PRO A 116 249.857 270.776 228.484 1.00 0.00 C +ATOM 117 CA SER A 117 250.184 271.060 224.699 1.00 0.00 C +ATOM 118 CA SER A 118 249.742 269.268 221.365 1.00 0.00 C +ATOM 119 CA VAL A 119 247.608 267.879 218.531 1.00 0.00 C +ATOM 120 CA SER A 120 249.246 266.839 215.252 1.00 0.00 C +ATOM 121 CA SER A 121 252.490 264.855 215.019 1.00 0.00 C +ATOM 122 CA GLY A 122 253.767 261.301 215.524 1.00 0.00 C +ATOM 123 CA SER A 123 257.139 260.587 217.148 1.00 0.00 C +ATOM 124 CA SER A 124 259.471 260.683 220.160 1.00 0.00 C +ATOM 125 CA ASN A 125 261.855 260.895 223.124 1.00 0.00 C +ATOM 126 CA ARG A 126 265.665 260.854 223.137 1.00 0.00 C +ATOM 127 CA GLY A 127 268.282 262.339 220.799 1.00 0.00 C +ATOM 128 CA TRP A 128 271.759 260.837 220.385 1.00 0.00 C +ATOM 129 CA ARG A 129 272.759 258.930 223.528 1.00 0.00 C +ATOM 130 CA LYS A 130 274.389 255.497 223.802 1.00 0.00 C +ATOM 131 CA GLY A 131 273.513 253.358 220.773 1.00 0.00 C +ATOM 132 CA THR A 132 273.027 250.910 217.895 1.00 0.00 C +ATOM 133 CA THR A 133 271.498 252.845 214.991 1.00 0.00 C +ATOM 134 CA VAL A 134 273.247 255.921 213.577 1.00 0.00 C +ATOM 135 CA PRO A 135 276.999 255.356 213.236 1.00 0.00 C +ATOM 136 CA ASP A 136 277.931 251.690 213.696 1.00 0.00 C +ATOM 137 CA GLU A 137 280.678 250.965 216.235 1.00 0.00 C +ATOM 138 CA VAL A 138 281.437 247.232 216.316 1.00 0.00 C +ATOM 139 CA GLY A 139 279.936 245.112 213.529 1.00 0.00 C +ATOM 140 CA PRO A 140 278.783 246.125 210.041 1.00 0.00 C +ATOM 141 CA TYR A 141 275.903 243.840 209.042 1.00 0.00 C +ATOM 142 CA ALA A 142 272.425 245.333 208.605 1.00 0.00 C +ATOM 143 CA ASN A 143 272.842 249.026 207.765 1.00 0.00 C +ATOM 144 CA SER A 144 274.842 252.142 206.869 1.00 0.00 C +ATOM 145 CA THR A 145 276.605 255.517 206.741 1.00 0.00 C +ATOM 146 CA PHE A 146 276.519 258.334 204.176 1.00 0.00 C +ATOM 147 CA ALA A 147 277.948 258.236 200.645 1.00 0.00 C +ATOM 148 CA SER A 148 281.083 259.803 199.151 1.00 0.00 C +ATOM 149 CA ARG A 149 283.174 261.616 196.533 1.00 0.00 C +ATOM 150 CA GLN A 150 286.704 263.049 196.563 1.00 0.00 C +ATOM 151 CA ARG A 151 289.983 262.187 194.824 1.00 0.00 C +ATOM 152 CA SER A 152 291.692 265.505 194.059 1.00 0.00 C +ATOM 153 CA ILE A 153 292.807 268.133 196.582 1.00 0.00 C +ATOM 154 CA GLY A 154 293.275 269.016 200.259 1.00 0.00 C +ATOM 155 CA GLY A 155 291.337 268.754 203.529 1.00 0.00 C +ATOM 156 CA ASP A 156 287.608 268.233 202.950 1.00 0.00 C +ATOM 157 CA SER A 157 284.093 268.900 204.260 1.00 0.00 C +ATOM 158 CA ASP A 158 281.940 271.033 201.950 1.00 0.00 C +ATOM 159 CA ALA A 159 278.182 270.575 202.378 1.00 0.00 C +ATOM 160 CA ARG A 160 275.803 270.230 199.423 1.00 0.00 C +ATOM 161 CA LYS A 161 277.997 270.810 196.362 1.00 0.00 C +ATOM 162 CA ASN A 162 281.596 270.670 195.121 1.00 0.00 C +ATOM 163 CA GLY A 163 282.708 270.622 191.477 1.00 0.00 C +ATOM 164 CA GLY A 164 284.009 272.555 188.462 1.00 0.00 C +ATOM 165 CA GLY A 165 284.088 272.616 184.654 1.00 0.00 C +ATOM 166 CA ARG A 166 282.882 271.371 181.261 1.00 0.00 C +ATOM 167 CA PRO A 167 283.357 268.208 179.190 1.00 0.00 C +ATOM 168 CA VAL A 168 286.031 265.816 180.470 1.00 0.00 C +ATOM 169 CA TRP A 169 288.770 265.935 183.117 1.00 0.00 C +ATOM 170 CA ARG A 170 290.540 263.139 185.005 1.00 0.00 C +TER 171 ARG A 170 +END diff --git a/Fungi/A0A4P9WXV5/A0A4P9WXV5.dcd b/Fungi/A0A4P9WXV5/A0A4P9WXV5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..36e6ccb98b671b283901464d1fb426ea23f3c927 --- /dev/null +++ b/Fungi/A0A4P9WXV5/A0A4P9WXV5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:31cabda40eca286a8900c56fcd8700a079e00e4884fb11cf1c93911b87bd22e4 +size 15680276 diff --git a/Fungi/A0A4P9WXV5/top.pdb b/Fungi/A0A4P9WXV5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b52062def768925778e511cc4e49d9f2def13fa9 --- /dev/null +++ b/Fungi/A0A4P9WXV5/top.pdb @@ -0,0 +1,128 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 284.858 192.682 292.609 1.00 0.00 C +ATOM 2 CA PRO A 2 285.071 196.444 293.177 1.00 0.00 C +ATOM 3 CA SER A 3 284.369 200.068 294.119 1.00 0.00 C +ATOM 4 CA GLY A 4 283.857 203.803 294.673 1.00 0.00 C +ATOM 5 CA MET A 5 284.052 205.689 291.368 1.00 0.00 C +ATOM 6 CA ASP A 6 284.393 207.821 288.230 1.00 0.00 C +ATOM 7 CA ILE A 7 283.547 205.987 284.999 1.00 0.00 C +ATOM 8 CA CYS A 8 280.481 207.502 283.320 1.00 0.00 C +ATOM 9 CA GLY A 9 278.557 207.123 280.053 1.00 0.00 C +ATOM 10 CA PRO A 10 278.323 205.860 276.467 1.00 0.00 C +ATOM 11 CA CYS A 11 275.646 206.528 273.839 1.00 0.00 C +ATOM 12 CA LYS A 12 276.500 206.992 270.155 1.00 0.00 C +ATOM 13 CA PRO A 13 276.910 210.743 269.623 1.00 0.00 C +ATOM 14 CA PRO A 14 277.996 214.132 268.264 1.00 0.00 C +ATOM 15 CA SER A 15 277.193 215.781 264.924 1.00 0.00 C +ATOM 16 CA THR A 16 275.395 219.051 264.159 1.00 0.00 C +ATOM 17 CA ARG A 17 273.278 220.572 266.938 1.00 0.00 C +ATOM 18 CA ARG A 18 269.522 219.936 266.966 1.00 0.00 C +ATOM 19 CA VAL A 19 268.736 216.405 268.162 1.00 0.00 C +ATOM 20 CA ALA A 20 267.799 216.093 271.842 1.00 0.00 C +ATOM 21 CA SER A 21 267.184 217.896 275.141 1.00 0.00 C +ATOM 22 CA ARG A 22 270.531 219.465 276.064 1.00 0.00 C +ATOM 23 CA ARG A 23 273.504 219.973 273.736 1.00 0.00 C +ATOM 24 CA ASP A 24 277.303 220.200 273.564 1.00 0.00 C +ATOM 25 CA ALA A 25 279.349 222.954 271.907 1.00 0.00 C +ATOM 26 CA SER A 26 283.145 223.078 271.601 1.00 0.00 C +ATOM 27 CA PRO A 27 285.968 223.827 274.047 1.00 0.00 C +ATOM 28 CA ARG A 28 288.721 223.089 276.576 1.00 0.00 C +ATOM 29 CA ARG A 29 288.372 221.796 280.143 1.00 0.00 C +ATOM 30 CA ALA A 30 286.093 220.450 282.884 1.00 0.00 C +ATOM 31 CA TRP A 31 285.600 221.110 286.604 1.00 0.00 C +ATOM 32 CA PRO A 32 283.420 222.837 289.208 1.00 0.00 C +ATOM 33 CA GLN A 33 279.640 223.240 289.456 1.00 0.00 C +ATOM 34 CA PRO A 34 276.846 225.093 287.645 1.00 0.00 C +ATOM 35 CA GLY A 35 273.744 225.736 285.528 1.00 0.00 C +ATOM 36 CA ARG A 36 272.625 222.783 283.397 1.00 0.00 C +ATOM 37 CA ALA A 37 269.057 221.729 284.220 1.00 0.00 C +ATOM 38 CA GLY A 38 266.308 222.084 286.834 1.00 0.00 C +ATOM 39 CA SER A 39 263.848 224.719 288.068 1.00 0.00 C +ATOM 40 CA CYS A 40 260.432 225.697 289.443 1.00 0.00 C +ATOM 41 CA SER A 41 257.140 223.890 290.084 1.00 0.00 C +ATOM 42 CA THR A 42 254.417 226.003 288.461 1.00 0.00 C +ATOM 43 CA ASP A 43 254.921 226.988 284.815 1.00 0.00 C +ATOM 44 CA THR A 44 255.375 225.780 281.230 1.00 0.00 C +ATOM 45 CA ASP A 45 257.142 224.639 278.053 1.00 0.00 C +ATOM 46 CA SER A 46 259.013 225.869 274.971 1.00 0.00 C +ATOM 47 CA GLY A 47 262.059 228.155 275.048 1.00 0.00 C +ATOM 48 CA ALA A 48 262.156 231.190 272.746 1.00 0.00 C +ATOM 49 CA SER A 49 258.849 232.960 272.075 1.00 0.00 C +ATOM 50 CA TRP A 50 256.110 233.869 274.562 1.00 0.00 C +ATOM 51 CA LEU A 51 256.100 236.995 276.741 1.00 0.00 C +ATOM 52 CA PRO A 52 259.484 238.701 276.355 1.00 0.00 C +ATOM 53 CA ARG A 53 263.225 238.943 277.038 1.00 0.00 C +ATOM 54 CA PRO A 54 265.415 241.631 278.617 1.00 0.00 C +ATOM 55 CA TRP A 55 267.423 244.501 277.119 1.00 0.00 C +ATOM 56 CA HIS A 56 268.284 245.461 273.533 1.00 0.00 C +ATOM 57 CA VAL A 57 268.172 244.976 269.756 1.00 0.00 C +ATOM 58 CA ALA A 58 268.671 245.682 266.045 1.00 0.00 C +ATOM 59 CA LEU A 59 267.712 246.031 262.375 1.00 0.00 C +ATOM 60 CA SER A 60 264.028 245.535 261.535 1.00 0.00 C +ATOM 61 CA ASN A 61 263.017 247.461 258.407 1.00 0.00 C +ATOM 62 CA GLY A 62 261.866 251.090 258.267 1.00 0.00 C +ATOM 63 CA VAL A 63 264.328 253.628 259.685 1.00 0.00 C +ATOM 64 CA ALA A 64 262.649 256.886 260.726 1.00 0.00 C +ATOM 65 CA PRO A 65 261.065 259.638 258.620 1.00 0.00 C +ATOM 66 CA PRO A 66 257.726 261.467 258.461 1.00 0.00 C +ATOM 67 CA GLY A 67 254.874 262.167 260.887 1.00 0.00 C +ATOM 68 CA PRO A 68 255.728 265.305 262.872 1.00 0.00 C +ATOM 69 CA ARG A 69 254.989 268.788 261.514 1.00 0.00 C +ATOM 70 CA LEU A 70 253.693 272.153 260.284 1.00 0.00 C +ATOM 71 CA GLY A 71 250.367 273.930 260.830 1.00 0.00 C +ATOM 72 CA CYS A 72 250.894 277.560 259.800 1.00 0.00 C +ATOM 73 CA HIS A 73 251.946 280.537 257.667 1.00 0.00 C +ATOM 74 CA CYS A 74 249.830 281.707 254.722 1.00 0.00 C +ATOM 75 CA ARG A 75 246.377 283.073 255.572 1.00 0.00 C +ATOM 76 CA ARG A 76 242.808 284.247 254.936 1.00 0.00 C +ATOM 77 CA ARG A 77 240.945 287.512 254.319 1.00 0.00 C +ATOM 78 CA ARG A 78 239.486 289.947 251.777 1.00 0.00 C +ATOM 79 CA ARG A 79 240.511 289.474 248.138 1.00 0.00 C +ATOM 80 CA ARG A 80 240.683 287.577 244.839 1.00 0.00 C +ATOM 81 CA ARG A 81 238.353 288.367 241.929 1.00 0.00 C +ATOM 82 CA ARG A 82 238.921 287.693 238.223 1.00 0.00 C +ATOM 83 CA ARG A 83 238.011 288.985 234.756 1.00 0.00 C +ATOM 84 CA ARG A 84 239.993 288.828 231.506 1.00 0.00 C +ATOM 85 CA ARG A 85 240.884 286.047 229.059 1.00 0.00 C +ATOM 86 CA ARG A 86 238.123 285.483 226.495 1.00 0.00 C +ATOM 87 CA ALA A 87 234.396 284.866 226.985 1.00 0.00 C +ATOM 88 CA LYS A 88 233.356 282.148 224.526 1.00 0.00 C +ATOM 89 CA PRO A 89 233.767 280.873 220.959 1.00 0.00 C +ATOM 90 CA ALA A 90 231.308 279.989 218.186 1.00 0.00 C +ATOM 91 CA VAL A 91 230.168 282.203 215.303 1.00 0.00 C +ATOM 92 CA PRO A 92 227.289 282.898 212.906 1.00 0.00 C +ATOM 93 CA ARG A 93 226.218 286.554 212.964 1.00 0.00 C +ATOM 94 CA HIS A 94 224.440 289.739 211.863 1.00 0.00 C +ATOM 95 CA ALA A 95 221.065 290.050 210.122 1.00 0.00 C +ATOM 96 CA SER A 96 221.730 290.526 206.400 1.00 0.00 C +ATOM 97 CA CYS A 97 218.758 292.376 204.895 1.00 0.00 C +ATOM 98 CA PRO A 98 215.419 291.432 203.323 1.00 0.00 C +ATOM 99 CA GLY A 99 213.548 288.254 204.280 1.00 0.00 C +ATOM 100 CA PRO A 100 216.048 285.416 204.741 1.00 0.00 C +ATOM 101 CA ARG A 101 216.706 282.343 202.586 1.00 0.00 C +ATOM 102 CA HIS A 102 213.340 280.623 202.107 1.00 0.00 C +ATOM 103 CA ALA A 103 210.924 277.897 200.990 1.00 0.00 C +ATOM 104 CA ARG A 104 210.859 274.226 199.972 1.00 0.00 C +ATOM 105 CA THR A 105 211.459 271.389 202.443 1.00 0.00 C +ATOM 106 CA LEU A 106 212.459 271.482 206.118 1.00 0.00 C +ATOM 107 CA ALA A 107 213.739 273.876 208.792 1.00 0.00 C +ATOM 108 CA SER A 108 210.710 275.908 209.893 1.00 0.00 C +ATOM 109 CA GLY A 109 207.313 277.091 208.637 1.00 0.00 C +ATOM 110 CA PRO A 110 206.343 277.620 204.991 1.00 0.00 C +ATOM 111 CA GLY A 111 204.940 278.881 201.681 1.00 0.00 C +ATOM 112 CA LYS A 112 205.033 278.367 197.907 1.00 0.00 C +ATOM 113 CA ARG A 113 201.919 277.100 196.115 1.00 0.00 C +ATOM 114 CA HIS A 114 200.353 274.284 194.082 1.00 0.00 C +ATOM 115 CA ALA A 115 202.177 270.941 194.192 1.00 0.00 C +ATOM 116 CA ASP A 116 204.906 269.134 192.243 1.00 0.00 C +ATOM 117 CA ARG A 117 207.570 267.619 189.978 1.00 0.00 C +ATOM 118 CA ASP A 118 208.782 264.294 188.566 1.00 0.00 C +ATOM 119 CA SER A 119 209.911 262.144 191.502 1.00 0.00 C +ATOM 120 CA ASP A 120 211.897 260.324 194.195 1.00 0.00 C +ATOM 121 CA PRO A 121 215.036 258.599 195.495 1.00 0.00 C +ATOM 122 CA ALA A 122 218.253 259.188 197.450 1.00 0.00 C +ATOM 123 CA PRO A 123 221.344 256.983 197.756 1.00 0.00 C +ATOM 124 CA HIS A 124 224.583 258.046 199.458 1.00 0.00 C +TER 125 HIS A 124 +END diff --git a/Fungi/A0A4P9X2H4/A0A4P9X2H4.dcd b/Fungi/A0A4P9X2H4/A0A4P9X2H4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..33de04dcadf27ef9cf5b5c0fa85ca6795586cf15 --- /dev/null +++ b/Fungi/A0A4P9X2H4/A0A4P9X2H4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d9b0780882c3bfdf12adee2634809fc9dca98bc2a8f1cf2250693d7b76af355b +size 17000276 diff --git a/Fungi/A0A4P9X2H4/top.pdb b/Fungi/A0A4P9X2H4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..88433b5d926279e3b68daa4af632feaf62c15c27 --- /dev/null +++ b/Fungi/A0A4P9X2H4/top.pdb @@ -0,0 +1,139 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 250.589 203.810 279.096 1.00 0.00 C +ATOM 2 CA ASP A 2 247.616 204.038 281.468 1.00 0.00 C +ATOM 3 CA ARG A 3 246.237 207.488 282.312 1.00 0.00 C +ATOM 4 CA ASP A 4 244.448 210.683 283.367 1.00 0.00 C +ATOM 5 CA ALA A 5 244.945 214.116 284.943 1.00 0.00 C +ATOM 6 CA PRO A 6 246.255 217.274 283.262 1.00 0.00 C +ATOM 7 CA SER A 7 247.613 219.661 280.621 1.00 0.00 C +ATOM 8 CA ARG A 8 246.866 220.752 277.048 1.00 0.00 C +ATOM 9 CA THR A 9 247.210 221.051 273.265 1.00 0.00 C +ATOM 10 CA THR A 10 246.484 222.810 269.964 1.00 0.00 C +ATOM 11 CA VAL A 11 246.461 222.113 266.219 1.00 0.00 C +ATOM 12 CA MET A 12 244.518 220.183 263.570 1.00 0.00 C +ATOM 13 CA GLY A 13 243.072 222.585 260.991 1.00 0.00 C +ATOM 14 CA ALA A 14 244.747 222.358 257.576 1.00 0.00 C +ATOM 15 CA ARG A 15 246.813 221.318 254.549 1.00 0.00 C +ATOM 16 CA LEU A 16 250.346 220.271 253.581 1.00 0.00 C +ATOM 17 CA GLY A 17 252.654 222.176 251.223 1.00 0.00 C +ATOM 18 CA VAL A 18 253.697 225.836 251.408 1.00 0.00 C +ATOM 19 CA GLY A 19 255.788 226.941 254.395 1.00 0.00 C +ATOM 20 CA VAL A 20 255.962 224.722 257.487 1.00 0.00 C +ATOM 21 CA GLY A 21 253.097 223.889 259.856 1.00 0.00 C +ATOM 22 CA ASP A 22 254.350 221.583 262.617 1.00 0.00 C +ATOM 23 CA GLY A 23 256.640 218.677 261.706 1.00 0.00 C +ATOM 24 CA ASP A 24 260.154 217.489 262.576 1.00 0.00 C +ATOM 25 CA GLY A 25 263.287 219.276 263.804 1.00 0.00 C +ATOM 26 CA ASP A 26 264.677 222.713 262.926 1.00 0.00 C +ATOM 27 CA GLY A 27 265.255 226.042 264.687 1.00 0.00 C +ATOM 28 CA ASP A 28 265.765 229.816 264.782 1.00 0.00 C +ATOM 29 CA GLY A 29 262.920 232.069 265.943 1.00 0.00 C +ATOM 30 CA ASP A 30 264.268 235.633 265.904 1.00 0.00 C +ATOM 31 CA GLY A 31 268.042 235.692 265.386 1.00 0.00 C +ATOM 32 CA ASP A 32 269.021 239.373 265.454 1.00 0.00 C +ATOM 33 CA GLY A 33 271.681 242.050 265.983 1.00 0.00 C +ATOM 34 CA ASP A 34 275.161 243.545 266.391 1.00 0.00 C +ATOM 35 CA GLY A 35 276.422 244.170 269.931 1.00 0.00 C +ATOM 36 CA ASP A 36 273.772 242.669 272.220 1.00 0.00 C +ATOM 37 CA GLY A 37 274.016 242.335 276.007 1.00 0.00 C +ATOM 38 CA ASP A 38 275.425 240.384 278.961 1.00 0.00 C +ATOM 39 CA GLY A 39 279.105 240.853 279.830 1.00 0.00 C +ATOM 40 CA ASP A 40 279.725 244.491 280.777 1.00 0.00 C +ATOM 41 CA GLY A 41 281.020 247.560 278.927 1.00 0.00 C +ATOM 42 CA ARG A 42 283.627 248.120 276.206 1.00 0.00 C +ATOM 43 CA ALA A 43 283.909 249.008 272.511 1.00 0.00 C +ATOM 44 CA ASP A 44 280.349 248.862 271.161 1.00 0.00 C +ATOM 45 CA GLY A 45 277.108 250.488 272.331 1.00 0.00 C +ATOM 46 CA ARG A 46 274.696 252.724 274.254 1.00 0.00 C +ATOM 47 CA THR A 47 273.310 254.005 277.563 1.00 0.00 C +ATOM 48 CA ARG A 48 270.569 256.189 279.058 1.00 0.00 C +ATOM 49 CA ARG A 49 268.836 258.743 276.825 1.00 0.00 C +ATOM 50 CA ALA A 50 270.437 262.186 276.508 1.00 0.00 C +ATOM 51 CA GLY A 51 273.262 262.805 278.989 1.00 0.00 C +ATOM 52 CA ALA A 52 272.353 261.505 282.453 1.00 0.00 C +ATOM 53 CA ARG A 53 271.439 263.007 285.833 1.00 0.00 C +ATOM 54 CA ALA A 54 267.716 263.194 286.619 1.00 0.00 C +ATOM 55 CA VAL A 55 264.178 262.817 287.982 1.00 0.00 C +ATOM 56 CA ARG A 56 262.722 259.325 288.435 1.00 0.00 C +ATOM 57 CA ARG A 57 264.590 256.621 286.507 1.00 0.00 C +ATOM 58 CA GLY A 58 261.991 254.213 285.105 1.00 0.00 C +ATOM 59 CA GLY A 59 258.939 252.036 285.782 1.00 0.00 C +ATOM 60 CA GLY A 60 258.416 248.713 283.992 1.00 0.00 C +ATOM 61 CA ARG A 61 258.854 249.186 280.237 1.00 0.00 C +ATOM 62 CA THR A 62 262.013 249.587 278.145 1.00 0.00 C +ATOM 63 CA LEU A 63 262.447 251.252 274.745 1.00 0.00 C +ATOM 64 CA LEU A 64 263.840 254.156 272.709 1.00 0.00 C +ATOM 65 CA ALA A 65 263.876 253.772 268.919 1.00 0.00 C +ATOM 66 CA ARG A 66 260.760 254.117 266.754 1.00 0.00 C +ATOM 67 CA LEU A 67 258.683 252.280 264.141 1.00 0.00 C +ATOM 68 CA ARG A 68 258.471 249.533 261.510 1.00 0.00 C +ATOM 69 CA ALA A 69 257.179 250.974 258.228 1.00 0.00 C +ATOM 70 CA ALA A 70 254.276 253.381 258.770 1.00 0.00 C +ATOM 71 CA GLY A 71 253.266 257.016 258.238 1.00 0.00 C +ATOM 72 CA ARG A 72 255.644 259.228 256.246 1.00 0.00 C +ATOM 73 CA SER A 73 254.417 259.784 252.682 1.00 0.00 C +ATOM 74 CA ILE A 74 251.040 261.538 252.876 1.00 0.00 C +ATOM 75 CA ASP A 75 247.273 261.148 252.465 1.00 0.00 C +ATOM 76 CA SER A 76 246.167 262.558 249.102 1.00 0.00 C +ATOM 77 CA GLY A 77 245.093 261.236 245.694 1.00 0.00 C +ATOM 78 CA SER A 78 242.952 258.404 244.311 1.00 0.00 C +ATOM 79 CA GLY A 79 242.758 254.818 243.040 1.00 0.00 C +ATOM 80 CA GLY A 80 245.312 252.431 241.524 1.00 0.00 C +ATOM 81 CA GLY A 81 245.300 252.794 237.731 1.00 0.00 C +ATOM 82 CA SER A 82 248.127 250.563 236.489 1.00 0.00 C +ATOM 83 CA GLY A 83 251.935 250.586 236.630 1.00 0.00 C +ATOM 84 CA ASP A 84 255.018 252.593 235.639 1.00 0.00 C +ATOM 85 CA SER A 85 255.293 252.906 231.852 1.00 0.00 C +ATOM 86 CA GLY A 86 253.322 255.933 230.641 1.00 0.00 C +ATOM 87 CA SER A 87 250.419 256.734 232.975 1.00 0.00 C +ATOM 88 CA GLY A 88 247.274 258.883 232.935 1.00 0.00 C +ATOM 89 CA SER A 89 248.110 261.930 230.806 1.00 0.00 C +ATOM 90 CA GLY A 90 248.388 265.113 228.731 1.00 0.00 C +ATOM 91 CA GLY A 91 250.816 267.543 230.378 1.00 0.00 C +ATOM 92 CA GLY A 92 251.649 269.436 233.578 1.00 0.00 C +ATOM 93 CA GLY A 93 250.787 268.671 237.210 1.00 0.00 C +ATOM 94 CA SER A 94 248.857 269.902 240.256 1.00 0.00 C +ATOM 95 CA GLY A 95 245.076 269.936 239.787 1.00 0.00 C +ATOM 96 CA GLY A 96 243.060 272.173 237.454 1.00 0.00 C +ATOM 97 CA GLY A 97 243.052 274.412 234.371 1.00 0.00 C +ATOM 98 CA GLY A 98 242.157 274.907 230.701 1.00 0.00 C +ATOM 99 CA CYS A 99 240.741 275.801 227.279 1.00 0.00 C +ATOM 100 CA VAL A 100 238.566 278.882 226.740 1.00 0.00 C +ATOM 101 CA GLU A 101 238.478 281.869 224.376 1.00 0.00 C +ATOM 102 CA THR A 102 241.548 284.011 223.670 1.00 0.00 C +ATOM 103 CA ARG A 103 243.580 287.228 223.875 1.00 0.00 C +ATOM 104 CA ARG A 104 247.139 286.168 224.725 1.00 0.00 C +ATOM 105 CA ALA A 105 247.988 282.519 224.031 1.00 0.00 C +ATOM 106 CA ALA A 106 246.258 279.362 222.784 1.00 0.00 C +ATOM 107 CA GLY A 107 247.356 276.607 220.392 1.00 0.00 C +ATOM 108 CA GLY A 108 246.989 273.649 218.019 1.00 0.00 C +ATOM 109 CA PRO A 109 248.574 270.353 216.949 1.00 0.00 C +ATOM 110 CA PRO A 110 249.109 266.587 217.161 1.00 0.00 C +ATOM 111 CA TRP A 111 247.629 265.024 214.018 1.00 0.00 C +ATOM 112 CA GLN A 112 244.552 265.752 211.892 1.00 0.00 C +ATOM 113 CA ASP A 113 241.544 263.614 212.839 1.00 0.00 C +ATOM 114 CA ALA A 114 238.004 264.026 211.490 1.00 0.00 C +ATOM 115 CA ALA A 115 235.388 262.005 213.384 1.00 0.00 C +ATOM 116 CA ARG A 116 237.195 259.338 215.419 1.00 0.00 C +ATOM 117 CA GLN A 117 236.177 255.799 216.394 1.00 0.00 C +ATOM 118 CA SER A 118 232.525 255.070 217.203 1.00 0.00 C +ATOM 119 CA LEU A 119 229.348 253.039 216.662 1.00 0.00 C +ATOM 120 CA ASP A 120 225.993 253.862 215.053 1.00 0.00 C +ATOM 121 CA GLY A 121 222.305 254.325 215.888 1.00 0.00 C +ATOM 122 CA GLY A 122 219.911 256.158 213.559 1.00 0.00 C +ATOM 123 CA ARG A 123 216.211 256.528 214.388 1.00 0.00 C +ATOM 124 CA ALA A 124 214.488 253.783 212.386 1.00 0.00 C +ATOM 125 CA THR A 125 214.270 251.887 209.088 1.00 0.00 C +ATOM 126 CA ARG A 126 211.108 249.929 208.262 1.00 0.00 C +ATOM 127 CA ALA A 127 207.383 249.795 207.472 1.00 0.00 C +ATOM 128 CA ARG A 128 204.018 251.569 207.689 1.00 0.00 C +ATOM 129 CA ALA A 129 204.122 255.035 209.268 1.00 0.00 C +ATOM 130 CA ARG A 130 206.864 257.464 210.318 1.00 0.00 C +ATOM 131 CA ALA A 131 207.574 259.311 213.574 1.00 0.00 C +ATOM 132 CA VAL A 132 207.798 258.838 217.348 1.00 0.00 C +ATOM 133 CA SER A 133 205.107 259.382 219.989 1.00 0.00 C +ATOM 134 CA SER A 134 202.618 260.172 222.764 1.00 0.00 C +ATOM 135 CA GLY A 135 204.006 258.791 226.032 1.00 0.00 C +TER 136 GLY A 135 +END diff --git a/Fungi/A0A4P9ZJB4/A0A4P9ZJB4.dcd b/Fungi/A0A4P9ZJB4/A0A4P9ZJB4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..3409dd3eb5ada43bce0cb41b1270cf985547b12d --- /dev/null +++ b/Fungi/A0A4P9ZJB4/A0A4P9ZJB4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ab6d4861852fe0bae06962beea458ed8840555e64c5dd3360b513622b3e527b4 +size 21200276 diff --git a/Fungi/A0A4P9ZJB4/top.pdb b/Fungi/A0A4P9ZJB4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..891d5c11b2a3e8fcb975be44ea23637f8bc1fd94 --- /dev/null +++ b/Fungi/A0A4P9ZJB4/top.pdb @@ -0,0 +1,174 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LEU A 1 233.228 232.147 289.313 1.00 0.00 C +ATOM 2 CA LYS A 2 233.838 235.797 290.219 1.00 0.00 C +ATOM 3 CA LYS A 3 231.041 237.481 292.183 1.00 0.00 C +ATOM 4 CA HIS A 4 232.778 240.355 293.983 1.00 0.00 C +ATOM 5 CA LEU A 5 235.852 242.187 292.674 1.00 0.00 C +ATOM 6 CA GLU A 6 237.362 244.466 290.021 1.00 0.00 C +ATOM 7 CA GLU A 7 236.670 242.737 286.697 1.00 0.00 C +ATOM 8 CA GLN A 8 239.747 240.778 285.595 1.00 0.00 C +ATOM 9 CA GLN A 9 239.046 237.286 284.242 1.00 0.00 C +ATOM 10 CA ARG A 10 240.136 236.677 280.643 1.00 0.00 C +ATOM 11 CA LEU A 11 243.266 238.012 278.928 1.00 0.00 C +ATOM 12 CA GLU A 12 243.564 241.249 276.941 1.00 0.00 C +ATOM 13 CA GLN A 13 240.142 242.626 275.988 1.00 0.00 C +ATOM 14 CA VAL A 14 237.855 243.782 273.168 1.00 0.00 C +ATOM 15 CA ARG A 15 236.410 242.075 270.084 1.00 0.00 C +ATOM 16 CA GLU A 16 238.357 241.816 266.819 1.00 0.00 C +ATOM 17 CA SER A 17 240.529 239.298 264.959 1.00 0.00 C +ATOM 18 CA THR A 18 240.514 236.906 261.994 1.00 0.00 C +ATOM 19 CA ILE A 19 239.455 233.563 263.482 1.00 0.00 C +ATOM 20 CA GLU A 20 240.616 231.588 266.527 1.00 0.00 C +ATOM 21 CA ALA A 21 242.855 228.970 268.154 1.00 0.00 C +ATOM 22 CA THR A 22 242.721 225.607 269.941 1.00 0.00 C +ATOM 23 CA ARG A 23 242.332 225.488 273.729 1.00 0.00 C +ATOM 24 CA ARG A 24 240.564 222.651 275.557 1.00 0.00 C +ATOM 25 CA LYS A 25 240.045 219.062 274.391 1.00 0.00 C +ATOM 26 CA ARG A 26 239.266 215.930 276.417 1.00 0.00 C +ATOM 27 CA GLU A 27 239.135 212.127 276.602 1.00 0.00 C +ATOM 28 CA GLU A 28 238.998 208.365 276.013 1.00 0.00 C +ATOM 29 CA ASP A 29 241.891 206.733 274.146 1.00 0.00 C +ATOM 30 CA ARG A 30 243.633 207.213 270.792 1.00 0.00 C +ATOM 31 CA ARG A 31 243.951 206.331 267.099 1.00 0.00 C +ATOM 32 CA ARG A 32 242.434 208.347 264.244 1.00 0.00 C +ATOM 33 CA ARG A 33 243.654 209.709 260.901 1.00 0.00 C +ATOM 34 CA GLU A 34 244.646 212.969 259.196 1.00 0.00 C +ATOM 35 CA GLU A 35 245.314 211.995 255.574 1.00 0.00 C +ATOM 36 CA GLU A 36 242.796 213.604 253.210 1.00 0.00 C +ATOM 37 CA VAL A 37 244.247 215.122 250.031 1.00 0.00 C +ATOM 38 CA GLU A 38 246.579 212.620 248.352 1.00 0.00 C +ATOM 39 CA GLU A 39 246.745 208.894 247.575 1.00 0.00 C +ATOM 40 CA GLU A 40 248.617 205.991 245.968 1.00 0.00 C +ATOM 41 CA ARG A 41 251.079 204.333 243.579 1.00 0.00 C +ATOM 42 CA ARG A 42 249.575 201.171 242.078 1.00 0.00 C +ATOM 43 CA ARG A 43 245.881 202.000 241.649 1.00 0.00 C +ATOM 44 CA LYS A 44 244.063 199.057 240.050 1.00 0.00 C +ATOM 45 CA ALA A 45 240.587 197.669 240.757 1.00 0.00 C +ATOM 46 CA VAL A 46 238.076 200.483 241.301 1.00 0.00 C +ATOM 47 CA GLU A 47 234.996 200.696 239.068 1.00 0.00 C +ATOM 48 CA GLN A 48 234.903 203.968 237.118 1.00 0.00 C +ATOM 49 CA GLN A 49 234.643 207.349 235.382 1.00 0.00 C +ATOM 50 CA GLU A 50 236.169 209.848 237.821 1.00 0.00 C +ATOM 51 CA ILE A 51 234.115 211.311 240.677 1.00 0.00 C +ATOM 52 CA GLU A 52 234.089 215.070 240.056 1.00 0.00 C +ATOM 53 CA ALA A 53 237.466 216.659 240.820 1.00 0.00 C +ATOM 54 CA SER A 54 239.058 219.915 241.994 1.00 0.00 C +ATOM 55 CA ARG A 55 241.405 222.877 242.478 1.00 0.00 C +ATOM 56 CA GLN A 56 243.322 225.569 240.583 1.00 0.00 C +ATOM 57 CA ARG A 57 245.826 228.332 239.799 1.00 0.00 C +ATOM 58 CA ILE A 58 246.559 231.072 237.255 1.00 0.00 C +ATOM 59 CA GLN A 59 246.487 234.867 236.920 1.00 0.00 C +ATOM 60 CA GLU A 60 249.262 237.367 237.670 1.00 0.00 C +ATOM 61 CA GLU A 61 252.949 236.961 238.541 1.00 0.00 C +ATOM 62 CA VAL A 62 254.638 239.064 241.231 1.00 0.00 C +ATOM 63 CA ARG A 63 258.100 238.801 242.801 1.00 0.00 C +ATOM 64 CA LEU A 64 259.792 242.177 243.307 1.00 0.00 C +ATOM 65 CA ARG A 65 259.263 245.918 242.815 1.00 0.00 C +ATOM 66 CA ASN A 66 257.994 248.080 239.946 1.00 0.00 C +ATOM 67 CA GLU A 67 259.400 250.507 237.367 1.00 0.00 C +ATOM 68 CA GLY A 68 259.123 250.215 233.578 1.00 0.00 C +ATOM 69 CA MET A 69 260.080 246.733 232.365 1.00 0.00 C +ATOM 70 CA SER A 70 261.413 243.809 230.319 1.00 0.00 C +ATOM 71 CA LYS A 71 261.855 240.417 231.997 1.00 0.00 C +ATOM 72 CA ALA A 72 261.677 239.713 235.737 1.00 0.00 C +ATOM 73 CA GLN A 73 264.656 241.403 237.405 1.00 0.00 C +ATOM 74 CA VAL A 74 267.030 240.990 240.356 1.00 0.00 C +ATOM 75 CA SER A 75 267.708 242.086 243.942 1.00 0.00 C +ATOM 76 CA PRO A 76 267.877 243.814 247.333 1.00 0.00 C +ATOM 77 CA SER A 77 266.348 244.855 250.664 1.00 0.00 C +ATOM 78 CA ASP A 78 264.171 247.959 251.047 1.00 0.00 C +ATOM 79 CA ASP A 79 261.108 250.044 250.163 1.00 0.00 C +ATOM 80 CA GLU A 80 257.813 249.436 251.978 1.00 0.00 C +ATOM 81 CA ASN A 81 254.482 247.948 250.883 1.00 0.00 C +ATOM 82 CA GLU A 82 251.046 248.189 252.512 1.00 0.00 C +ATOM 83 CA GLY A 83 248.482 250.528 250.940 1.00 0.00 C +ATOM 84 CA GLY A 84 249.424 254.132 250.140 1.00 0.00 C +ATOM 85 CA GLY A 85 248.076 255.352 246.792 1.00 0.00 C +ATOM 86 CA ARG A 86 247.761 258.264 244.355 1.00 0.00 C +ATOM 87 CA THR A 87 250.820 259.954 242.838 1.00 0.00 C +ATOM 88 CA LYS A 88 250.112 263.686 242.543 1.00 0.00 C +ATOM 89 CA PRO A 89 248.449 266.654 240.827 1.00 0.00 C +ATOM 90 CA ARG A 90 249.416 270.334 241.017 1.00 0.00 C +ATOM 91 CA ARG A 91 246.438 272.657 240.522 1.00 0.00 C +ATOM 92 CA LYS A 92 244.183 275.723 240.346 1.00 0.00 C +ATOM 93 CA ARG A 93 242.608 279.104 239.565 1.00 0.00 C +ATOM 94 CA GLN A 94 239.825 279.604 242.118 1.00 0.00 C +ATOM 95 CA PRO A 95 236.212 279.248 240.962 1.00 0.00 C +ATOM 96 CA THR A 96 232.731 280.793 241.085 1.00 0.00 C +ATOM 97 CA ARG A 97 233.042 284.218 242.724 1.00 0.00 C +ATOM 98 CA GLY A 98 235.953 286.655 243.054 1.00 0.00 C +ATOM 99 CA GLY A 99 239.158 286.043 245.021 1.00 0.00 C +ATOM 100 CA GLY A 100 241.307 284.974 247.980 1.00 0.00 C +ATOM 101 CA GLU A 101 243.770 282.294 249.107 1.00 0.00 C +ATOM 102 CA ASP A 102 244.572 279.005 250.855 1.00 0.00 C +ATOM 103 CA ASP A 103 246.246 277.301 253.823 1.00 0.00 C +ATOM 104 CA ASP A 104 246.171 279.205 257.122 1.00 0.00 C +ATOM 105 CA ASP A 105 245.620 278.084 260.722 1.00 0.00 C +ATOM 106 CA ALA A 106 247.451 276.437 263.629 1.00 0.00 C +ATOM 107 CA ALA A 107 251.111 277.228 264.332 1.00 0.00 C +ATOM 108 CA ASP A 108 253.463 280.224 264.267 1.00 0.00 C +ATOM 109 CA GLU A 109 253.989 283.941 264.923 1.00 0.00 C +ATOM 110 CA MET A 110 256.390 286.291 263.127 1.00 0.00 C +ATOM 111 CA GLY A 111 256.839 285.656 259.398 1.00 0.00 C +ATOM 112 CA ASP A 112 259.842 284.246 257.524 1.00 0.00 C +ATOM 113 CA GLU A 113 258.406 283.084 254.192 1.00 0.00 C +ATOM 114 CA ALA A 114 257.034 279.579 253.598 1.00 0.00 C +ATOM 115 CA THR A 115 256.006 275.982 252.876 1.00 0.00 C +ATOM 116 CA PRO A 116 256.752 273.692 255.828 1.00 0.00 C +ATOM 117 CA VAL A 117 254.581 273.450 258.950 1.00 0.00 C +ATOM 118 CA LYS A 118 255.344 272.254 262.486 1.00 0.00 C +ATOM 119 CA PRO A 119 257.892 270.947 265.000 1.00 0.00 C +ATOM 120 CA ARG A 120 259.647 273.800 266.817 1.00 0.00 C +ATOM 121 CA LYS A 121 261.340 276.553 264.801 1.00 0.00 C +ATOM 122 CA ALA A 122 263.560 278.633 267.095 1.00 0.00 C +ATOM 123 CA PRO A 123 267.213 277.564 266.930 1.00 0.00 C +ATOM 124 CA ARG A 124 270.079 276.371 264.720 1.00 0.00 C +ATOM 125 CA LYS A 125 272.601 273.516 264.744 1.00 0.00 C +ATOM 126 CA LEU A 126 271.168 270.764 262.533 1.00 0.00 C +ATOM 127 CA ILE A 127 268.373 269.169 264.572 1.00 0.00 C +ATOM 128 CA ARG A 128 264.845 269.296 266.004 1.00 0.00 C +ATOM 129 CA LYS A 129 262.857 266.232 264.919 1.00 0.00 C +ATOM 130 CA ARG A 130 260.281 266.011 262.121 1.00 0.00 C +ATOM 131 CA ALA A 131 260.295 262.962 259.835 1.00 0.00 C +ATOM 132 CA GLY A 132 259.804 262.600 256.074 1.00 0.00 C +ATOM 133 CA PRO A 133 263.075 263.094 254.185 1.00 0.00 C +ATOM 134 CA THR A 134 265.120 266.304 254.357 1.00 0.00 C +ATOM 135 CA ASP A 135 267.352 268.970 255.915 1.00 0.00 C +ATOM 136 CA PRO A 136 267.898 272.718 256.331 1.00 0.00 C +ATOM 137 CA ALA A 137 266.549 275.739 254.443 1.00 0.00 C +ATOM 138 CA GLU A 138 263.277 275.987 252.508 1.00 0.00 C +ATOM 139 CA THR A 139 264.057 276.770 248.862 1.00 0.00 C +ATOM 140 CA ASP A 140 266.933 275.734 246.587 1.00 0.00 C +ATOM 141 CA PRO A 141 265.708 276.317 243.026 1.00 0.00 C +ATOM 142 CA PRO A 142 267.620 276.042 239.742 1.00 0.00 C +ATOM 143 CA ALA A 143 267.234 272.517 238.350 1.00 0.00 C +ATOM 144 CA GLU A 144 268.551 269.328 239.967 1.00 0.00 C +ATOM 145 CA GLU A 145 265.974 266.867 241.314 1.00 0.00 C +ATOM 146 CA GLU A 146 262.947 264.612 240.793 1.00 0.00 C +ATOM 147 CA VAL A 147 259.210 264.601 240.052 1.00 0.00 C +ATOM 148 CA ASN A 148 257.436 265.955 236.964 1.00 0.00 C +ATOM 149 CA GLU A 149 259.676 267.635 234.380 1.00 0.00 C +ATOM 150 CA TYR A 150 258.949 268.581 230.762 1.00 0.00 C +ATOM 151 CA ALA A 151 259.214 272.313 230.042 1.00 0.00 C +ATOM 152 CA GLY A 152 260.966 272.646 226.675 1.00 0.00 C +ATOM 153 CA SER A 153 259.433 271.323 223.448 1.00 0.00 C +ATOM 154 CA GLY A 154 255.954 272.859 223.225 1.00 0.00 C +ATOM 155 CA ASN A 155 252.515 271.512 222.287 1.00 0.00 C +ATOM 156 CA LYS A 156 249.877 270.214 219.864 1.00 0.00 C +ATOM 157 CA GLN A 157 251.008 268.867 216.484 1.00 0.00 C +ATOM 158 CA TYR A 158 253.453 266.526 214.735 1.00 0.00 C +ATOM 159 CA LYS A 159 251.954 263.348 213.263 1.00 0.00 C +ATOM 160 CA SER A 160 248.251 262.920 214.049 1.00 0.00 C +ATOM 161 CA LYS A 161 244.519 262.622 214.756 1.00 0.00 C +ATOM 162 CA ALA A 162 243.597 259.088 213.672 1.00 0.00 C +ATOM 163 CA TYR A 163 244.030 255.535 214.977 1.00 0.00 C +ATOM 164 CA VAL A 164 243.001 251.870 214.802 1.00 0.00 C +ATOM 165 CA ASP A 165 242.555 248.095 215.060 1.00 0.00 C +ATOM 166 CA SER A 166 241.315 247.560 218.623 1.00 0.00 C +ATOM 167 CA GLU A 167 238.640 250.150 219.428 1.00 0.00 C +ATOM 168 CA ASP A 168 234.985 251.114 219.906 1.00 0.00 C +ATOM 169 CA ASP A 169 232.525 249.544 217.456 1.00 0.00 C +ATOM 170 CA LEU A 170 230.192 246.538 217.264 1.00 0.00 C +TER 171 LEU A 170 +END diff --git a/Fungi/A0A4Q2V1B8/A0A4Q2V1B8.dcd b/Fungi/A0A4Q2V1B8/A0A4Q2V1B8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..be9686a17f409d2852c124311e25a4b43cb2467b --- /dev/null +++ b/Fungi/A0A4Q2V1B8/A0A4Q2V1B8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:616c044d74e234087049353efe364b433dcae4c0ac6d7f5a78909785afe12ea9 +size 13880276 diff --git a/Fungi/A0A4Q2V1B8/top.pdb b/Fungi/A0A4Q2V1B8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7528024c9eda05d19ce17b30c6669a40953a6f5d --- /dev/null +++ b/Fungi/A0A4Q2V1B8/top.pdb @@ -0,0 +1,113 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 249.810 236.551 217.291 1.00 0.00 C +ATOM 2 CA LEU A 2 251.987 235.661 220.288 1.00 0.00 C +ATOM 3 CA ARG A 3 254.826 233.587 218.820 1.00 0.00 C +ATOM 4 CA ARG A 4 254.318 231.209 215.887 1.00 0.00 C +ATOM 5 CA LEU A 5 255.589 228.147 214.008 1.00 0.00 C +ATOM 6 CA THR A 6 256.079 227.964 210.234 1.00 0.00 C +ATOM 7 CA LYS A 7 253.798 226.432 207.594 1.00 0.00 C +ATOM 8 CA GLU A 8 250.325 225.498 206.338 1.00 0.00 C +ATOM 9 CA GLN A 9 247.820 227.572 208.324 1.00 0.00 C +ATOM 10 CA ARG A 10 249.102 231.103 208.960 1.00 0.00 C +ATOM 11 CA GLY A 11 247.697 234.537 209.828 1.00 0.00 C +ATOM 12 CA HIS A 12 245.057 237.284 209.814 1.00 0.00 C +ATOM 13 CA VAL A 13 245.741 239.614 206.878 1.00 0.00 C +ATOM 14 CA ARG A 14 248.958 240.374 204.984 1.00 0.00 C +ATOM 15 CA THR A 15 250.586 243.169 202.971 1.00 0.00 C +ATOM 16 CA LEU A 16 253.493 245.483 203.815 1.00 0.00 C +ATOM 17 CA GLY A 17 254.747 245.036 207.385 1.00 0.00 C +ATOM 18 CA ALA A 18 254.232 247.741 210.019 1.00 0.00 C +ATOM 19 CA GLU A 19 252.403 246.272 213.021 1.00 0.00 C +ATOM 20 CA ALA A 20 253.643 245.067 216.416 1.00 0.00 C +ATOM 21 CA TYR A 21 252.966 241.900 218.423 1.00 0.00 C +ATOM 22 CA ARG A 22 253.436 241.808 222.202 1.00 0.00 C +ATOM 23 CA GLN A 23 255.680 242.849 225.100 1.00 0.00 C +ATOM 24 CA ARG A 24 253.388 244.366 227.738 1.00 0.00 C +ATOM 25 CA GLU A 25 253.854 243.877 231.488 1.00 0.00 C +ATOM 26 CA GLN A 26 253.209 244.076 235.238 1.00 0.00 C +ATOM 27 CA GLU A 27 250.972 247.024 236.144 1.00 0.00 C +ATOM 28 CA SER A 28 252.834 250.219 235.227 1.00 0.00 C +ATOM 29 CA GLN A 29 256.597 249.675 235.462 1.00 0.00 C +ATOM 30 CA PRO A 30 260.346 250.310 235.700 1.00 0.00 C +ATOM 31 CA GLY A 31 262.829 248.465 233.475 1.00 0.00 C +ATOM 32 CA SER A 32 262.688 247.218 229.877 1.00 0.00 C +ATOM 33 CA HIS A 33 261.160 245.605 226.782 1.00 0.00 C +ATOM 34 CA GLN A 34 260.289 247.591 223.650 1.00 0.00 C +ATOM 35 CA GLU A 35 262.248 250.825 223.186 1.00 0.00 C +ATOM 36 CA ALA A 36 260.904 253.661 221.025 1.00 0.00 C +ATOM 37 CA ARG A 37 260.940 254.449 217.297 1.00 0.00 C +ATOM 38 CA ASN A 38 261.682 256.811 214.401 1.00 0.00 C +ATOM 39 CA ASN A 39 263.372 260.225 214.419 1.00 0.00 C +ATOM 40 CA THR A 40 264.406 262.813 217.017 1.00 0.00 C +ATOM 41 CA SER A 41 264.362 266.482 215.992 1.00 0.00 C +ATOM 42 CA GLU A 42 262.902 267.522 212.629 1.00 0.00 C +ATOM 43 CA ARG A 43 259.124 267.435 212.144 1.00 0.00 C +ATOM 44 CA GLN A 44 255.457 268.169 211.417 1.00 0.00 C +ATOM 45 CA THR A 45 253.537 266.485 214.244 1.00 0.00 C +ATOM 46 CA GLU A 46 252.810 265.694 217.899 1.00 0.00 C +ATOM 47 CA ASP A 47 249.419 265.317 219.597 1.00 0.00 C +ATOM 48 CA GLY A 48 248.494 262.530 222.024 1.00 0.00 C +ATOM 49 CA ALA A 49 246.397 259.425 222.715 1.00 0.00 C +ATOM 50 CA SER A 50 243.707 257.007 223.911 1.00 0.00 C +ATOM 51 CA GLN A 51 244.935 255.569 227.218 1.00 0.00 C +ATOM 52 CA ASP A 52 247.416 253.027 228.596 1.00 0.00 C +ATOM 53 CA GLN A 53 247.079 251.157 231.898 1.00 0.00 C +ATOM 54 CA PRO A 54 243.466 251.541 233.043 1.00 0.00 C +ATOM 55 CA SER A 55 242.827 249.587 236.251 1.00 0.00 C +ATOM 56 CA ALA A 56 243.887 246.648 238.432 1.00 0.00 C +ATOM 57 CA ARG A 57 246.160 248.065 241.142 1.00 0.00 C +ATOM 58 CA ALA A 58 247.788 245.316 243.217 1.00 0.00 C +ATOM 59 CA PRO A 59 246.252 241.940 242.348 1.00 0.00 C +ATOM 60 CA SER A 60 243.270 240.418 244.166 1.00 0.00 C +ATOM 61 CA PRO A 61 240.144 242.514 243.571 1.00 0.00 C +ATOM 62 CA THR A 62 237.421 243.046 246.182 1.00 0.00 C +ATOM 63 CA VAL A 63 238.713 241.842 249.557 1.00 0.00 C +ATOM 64 CA SER A 64 238.300 242.145 253.333 1.00 0.00 C +ATOM 65 CA GLY A 65 238.332 245.846 254.236 1.00 0.00 C +ATOM 66 CA ALA A 66 236.952 247.028 257.586 1.00 0.00 C +ATOM 67 CA PRO A 67 236.987 250.187 259.715 1.00 0.00 C +ATOM 68 CA SER A 68 234.259 250.865 262.287 1.00 0.00 C +ATOM 69 CA PHE A 69 234.519 254.211 264.090 1.00 0.00 C +ATOM 70 CA ILE A 70 233.487 253.789 267.733 1.00 0.00 C +ATOM 71 CA MET A 71 233.973 254.445 271.455 1.00 0.00 C +ATOM 72 CA ILE A 72 236.679 253.339 273.899 1.00 0.00 C +ATOM 73 CA ALA A 73 236.594 249.856 275.442 1.00 0.00 C +ATOM 74 CA THR A 74 239.093 247.328 276.812 1.00 0.00 C +ATOM 75 CA ILE A 75 242.234 248.454 278.652 1.00 0.00 C +ATOM 76 CA PRO A 76 245.567 248.433 276.806 1.00 0.00 C +ATOM 77 CA GLN A 77 248.093 248.439 273.954 1.00 0.00 C +ATOM 78 CA VAL A 78 251.221 248.573 271.782 1.00 0.00 C +ATOM 79 CA GLY A 79 254.831 247.510 271.190 1.00 0.00 C +ATOM 80 CA TYR A 80 258.057 249.528 271.377 1.00 0.00 C +ATOM 81 CA GLY A 81 261.380 251.188 270.530 1.00 0.00 C +ATOM 82 CA ALA A 82 262.187 254.569 272.089 1.00 0.00 C +ATOM 83 CA GLU A 83 263.256 254.866 275.734 1.00 0.00 C +ATOM 84 CA ARG A 84 263.949 253.773 279.318 1.00 0.00 C +ATOM 85 CA GLU A 85 263.092 254.787 282.889 1.00 0.00 C +ATOM 86 CA SER A 86 262.941 252.730 286.092 1.00 0.00 C +ATOM 87 CA GLU A 87 259.644 252.567 287.996 1.00 0.00 C +ATOM 88 CA ASP A 88 259.330 254.947 290.955 1.00 0.00 C +ATOM 89 CA LEU A 89 259.458 257.444 293.829 1.00 0.00 C +ATOM 90 CA ARG A 90 261.184 257.097 297.208 1.00 0.00 C +ATOM 91 CA PRO A 91 259.566 259.085 300.028 1.00 0.00 C +ATOM 92 CA GLY A 92 256.672 261.557 299.852 1.00 0.00 C +ATOM 93 CA SER A 93 256.015 264.265 302.451 1.00 0.00 C +ATOM 94 CA PRO A 94 254.807 267.316 300.516 1.00 0.00 C +ATOM 95 CA ARG A 95 252.477 269.422 298.359 1.00 0.00 C +ATOM 96 CA LYS A 96 249.772 270.873 300.616 1.00 0.00 C +ATOM 97 CA ARG A 97 248.614 268.516 303.376 1.00 0.00 C +ATOM 98 CA ARG A 98 247.658 265.275 305.137 1.00 0.00 C +ATOM 99 CA ILE A 99 245.932 261.932 304.538 1.00 0.00 C +ATOM 100 CA VAL A 100 242.423 261.254 305.859 1.00 0.00 C +ATOM 101 CA LEU A 101 241.211 257.694 306.469 1.00 0.00 C +ATOM 102 CA ILE A 102 241.048 254.528 308.581 1.00 0.00 C +ATOM 103 CA THR A 103 240.087 250.862 308.190 1.00 0.00 C +ATOM 104 CA ARG A 104 237.853 247.939 309.185 1.00 0.00 C +ATOM 105 CA PRO A 105 236.807 248.364 312.823 1.00 0.00 C +ATOM 106 CA HIS A 106 235.936 246.049 315.721 1.00 0.00 C +ATOM 107 CA ASP A 107 232.842 247.159 317.648 1.00 0.00 C +ATOM 108 CA ARG A 108 229.384 247.076 319.246 1.00 0.00 C +ATOM 109 CA GLU A 109 225.719 248.084 319.500 1.00 0.00 C +TER 110 GLU A 109 +END diff --git a/Fungi/A0A4Q9PSH2/A0A4Q9PSH2.dcd b/Fungi/A0A4Q9PSH2/A0A4Q9PSH2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..9fe374fa21c079cd718274a7ec74509dc98fa6fb --- /dev/null +++ b/Fungi/A0A4Q9PSH2/A0A4Q9PSH2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8c9e2f2490e359034661cb81764ebb08df8cae49832a762d0828311ff69e410f +size 7040276 diff --git a/Fungi/A0A4Q9PSH2/top.pdb b/Fungi/A0A4Q9PSH2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..fc0cc087a79259ad75cac0e85f751ca827094c43 --- /dev/null +++ b/Fungi/A0A4Q9PSH2/top.pdb @@ -0,0 +1,56 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 248.598 228.529 244.778 1.00 0.00 C +ATOM 2 CA ASN A 2 245.299 227.326 246.256 1.00 0.00 C +ATOM 3 CA SER A 3 243.846 229.509 249.020 1.00 0.00 C +ATOM 4 CA ASN A 4 244.356 231.286 252.352 1.00 0.00 C +ATOM 5 CA LYS A 5 245.560 229.316 255.383 1.00 0.00 C +ATOM 6 CA ARG A 6 249.232 229.799 256.280 1.00 0.00 C +ATOM 7 CA GLN A 7 252.369 230.713 258.238 1.00 0.00 C +ATOM 8 CA GLN A 8 256.058 229.818 257.901 1.00 0.00 C +ATOM 9 CA THR A 9 259.018 230.856 255.740 1.00 0.00 C +ATOM 10 CA GLN A 10 259.388 234.485 254.640 1.00 0.00 C +ATOM 11 CA ALA A 11 258.295 238.010 255.586 1.00 0.00 C +ATOM 12 CA ARG A 12 257.633 239.425 259.061 1.00 0.00 C +ATOM 13 CA GLN A 13 257.910 242.257 261.595 1.00 0.00 C +ATOM 14 CA ALA A 14 260.588 244.942 261.955 1.00 0.00 C +ATOM 15 CA LEU A 15 260.612 247.154 265.057 1.00 0.00 C +ATOM 16 CA ARG A 16 258.922 249.478 267.559 1.00 0.00 C +ATOM 17 CA LYS A 17 259.055 253.278 267.303 1.00 0.00 C +ATOM 18 CA ARG A 18 260.049 256.895 267.965 1.00 0.00 C +ATOM 19 CA LYS A 19 263.121 257.665 265.847 1.00 0.00 C +ATOM 20 CA THR A 20 266.208 257.836 263.620 1.00 0.00 C +ATOM 21 CA ARG A 21 269.754 256.888 262.600 1.00 0.00 C +ATOM 22 CA ASP A 22 270.637 254.226 260.022 1.00 0.00 C +ATOM 23 CA ALA A 23 268.684 252.145 257.497 1.00 0.00 C +ATOM 24 CA PRO A 24 266.310 249.169 257.649 1.00 0.00 C +ATOM 25 CA GLN A 25 263.733 246.474 256.868 1.00 0.00 C +ATOM 26 CA ASP A 26 260.230 247.532 255.807 1.00 0.00 C +ATOM 27 CA LYS A 27 257.182 245.303 255.301 1.00 0.00 C +ATOM 28 CA HIS A 28 255.521 245.291 251.872 1.00 0.00 C +ATOM 29 CA LYS A 29 254.147 246.347 248.479 1.00 0.00 C +ATOM 30 CA GLU A 30 250.654 247.861 248.324 1.00 0.00 C +ATOM 31 CA GLN A 31 246.857 247.548 248.331 1.00 0.00 C +ATOM 32 CA SER A 32 244.559 246.984 245.345 1.00 0.00 C +ATOM 33 CA HIS A 33 242.485 246.926 242.149 1.00 0.00 C +ATOM 34 CA GLN A 34 244.280 248.256 239.063 1.00 0.00 C +ATOM 35 CA GLN A 35 243.293 250.370 236.050 1.00 0.00 C +ATOM 36 CA PRO A 36 245.899 252.313 234.064 1.00 0.00 C +ATOM 37 CA ARG A 37 244.422 254.734 231.519 1.00 0.00 C +ATOM 38 CA VAL A 38 246.050 257.885 230.128 1.00 0.00 C +ATOM 39 CA PRO A 39 243.663 260.727 230.988 1.00 0.00 C +ATOM 40 CA ARG A 40 239.854 260.783 230.909 1.00 0.00 C +ATOM 41 CA PRO A 41 236.060 260.665 230.577 1.00 0.00 C +ATOM 42 CA LEU A 42 234.365 263.082 232.986 1.00 0.00 C +ATOM 43 CA LEU A 43 236.832 265.223 234.947 1.00 0.00 C +ATOM 44 CA SER A 44 240.464 264.403 235.756 1.00 0.00 C +ATOM 45 CA PRO A 45 241.027 263.783 239.473 1.00 0.00 C +ATOM 46 CA THR A 46 240.993 266.601 242.038 1.00 0.00 C +ATOM 47 CA VAL A 47 239.103 268.130 244.972 1.00 0.00 C +ATOM 48 CA TRP A 48 238.189 270.110 248.096 1.00 0.00 C +ATOM 49 CA PRO A 49 235.306 270.605 250.536 1.00 0.00 C +ATOM 50 CA TYR A 50 233.719 267.791 252.556 1.00 0.00 C +ATOM 51 CA LEU A 51 230.193 267.459 251.152 1.00 0.00 C +ATOM 52 CA PHE A 52 229.415 265.808 247.807 1.00 0.00 C +TER 53 PHE A 52 +END diff --git a/Fungi/A0A4R0R4F8/A0A4R0R4F8.dcd b/Fungi/A0A4R0R4F8/A0A4R0R4F8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..2ce825445a3bfd805d0377f44e8d2fa863410ed9 --- /dev/null +++ b/Fungi/A0A4R0R4F8/A0A4R0R4F8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:63c9d1d32eed55577d8fec571e6300084d8556cf8caf3f280cdac95e60e20d6d +size 17600276 diff --git a/Fungi/A0A4R0R4F8/top.pdb b/Fungi/A0A4R0R4F8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1a04e61f2c9e36dabef443e5cada2f69c0579063 --- /dev/null +++ b/Fungi/A0A4R0R4F8/top.pdb @@ -0,0 +1,144 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 196.606 220.723 227.780 1.00 0.00 C +ATOM 2 CA SER A 2 196.959 223.970 225.817 1.00 0.00 C +ATOM 3 CA GLY A 3 196.118 227.675 226.104 1.00 0.00 C +ATOM 4 CA SER A 4 194.598 230.512 224.065 1.00 0.00 C +ATOM 5 CA PRO A 5 195.303 233.193 221.451 1.00 0.00 C +ATOM 6 CA ALA A 6 198.442 234.873 220.094 1.00 0.00 C +ATOM 7 CA HIS A 7 201.502 233.436 221.850 1.00 0.00 C +ATOM 8 CA ASP A 8 205.047 232.365 222.744 1.00 0.00 C +ATOM 9 CA ASP A 9 207.807 234.503 224.272 1.00 0.00 C +ATOM 10 CA ALA A 10 210.166 236.408 226.578 1.00 0.00 C +ATOM 11 CA VAL A 11 208.438 236.708 229.960 1.00 0.00 C +ATOM 12 CA ASP A 12 207.975 237.864 233.561 1.00 0.00 C +ATOM 13 CA ASP A 13 206.986 239.530 236.841 1.00 0.00 C +ATOM 14 CA ALA A 14 210.259 240.084 238.711 1.00 0.00 C +ATOM 15 CA LYS A 15 210.463 239.689 242.495 1.00 0.00 C +ATOM 16 CA VAL A 16 207.272 238.198 243.948 1.00 0.00 C +ATOM 17 CA ASP A 17 207.733 238.478 247.720 1.00 0.00 C +ATOM 18 CA GLN A 18 204.644 237.776 249.836 1.00 0.00 C +ATOM 19 CA LEU A 19 202.961 234.361 249.697 1.00 0.00 C +ATOM 20 CA GLU A 20 200.235 233.460 252.202 1.00 0.00 C +ATOM 21 CA GLU A 21 199.098 234.777 255.591 1.00 0.00 C +ATOM 22 CA THR A 22 197.845 232.351 258.248 1.00 0.00 C +ATOM 23 CA GLY A 23 195.467 229.894 259.928 1.00 0.00 C +ATOM 24 CA ILE A 24 191.988 230.927 261.090 1.00 0.00 C +ATOM 25 CA GLU A 25 189.048 233.022 262.307 1.00 0.00 C +ATOM 26 CA GLU A 26 187.345 234.499 265.379 1.00 0.00 C +ATOM 27 CA GLU A 27 186.995 236.009 268.859 1.00 0.00 C +ATOM 28 CA LEU A 28 189.096 237.043 271.865 1.00 0.00 C +ATOM 29 CA ASP A 29 190.245 234.646 274.595 1.00 0.00 C +ATOM 30 CA THR A 30 190.835 233.081 278.018 1.00 0.00 C +ATOM 31 CA ALA A 31 193.190 233.597 280.968 1.00 0.00 C +ATOM 32 CA GLU A 32 193.924 231.337 283.946 1.00 0.00 C +ATOM 33 CA GLU A 33 195.978 233.169 286.580 1.00 0.00 C +ATOM 34 CA PRO A 34 195.311 233.963 290.247 1.00 0.00 C +ATOM 35 CA ALA A 35 195.804 237.656 291.041 1.00 0.00 C +ATOM 36 CA LYS A 36 197.562 240.987 290.467 1.00 0.00 C +ATOM 37 CA PRO A 37 198.567 241.133 286.794 1.00 0.00 C +ATOM 38 CA THR A 38 201.906 242.727 285.884 1.00 0.00 C +ATOM 39 CA THR A 39 204.024 244.544 283.290 1.00 0.00 C +ATOM 40 CA PRO A 40 202.755 248.060 282.554 1.00 0.00 C +ATOM 41 CA ALA A 41 199.092 249.084 282.340 1.00 0.00 C +ATOM 42 CA LYS A 42 198.824 252.606 283.769 1.00 0.00 C +ATOM 43 CA ARG A 43 200.490 255.748 282.402 1.00 0.00 C +ATOM 44 CA GLY A 44 203.218 254.586 280.010 1.00 0.00 C +ATOM 45 CA ARG A 45 206.692 254.404 281.566 1.00 0.00 C +ATOM 46 CA GLY A 46 208.647 251.929 279.430 1.00 0.00 C +ATOM 47 CA ARG A 47 208.613 253.038 275.785 1.00 0.00 C +ATOM 48 CA PRO A 48 209.332 250.522 273.016 1.00 0.00 C +ATOM 49 CA PRO A 49 209.962 247.231 271.202 1.00 0.00 C +ATOM 50 CA GLY A 50 212.240 244.614 269.628 1.00 0.00 C +ATOM 51 CA SER A 51 215.380 242.984 271.041 1.00 0.00 C +ATOM 52 CA LYS A 52 217.090 243.226 274.438 1.00 0.00 C +ATOM 53 CA ASN A 53 217.597 243.057 278.210 1.00 0.00 C +ATOM 54 CA LYS A 54 220.930 241.703 279.464 1.00 0.00 C +ATOM 55 CA THR A 55 223.741 242.823 277.149 1.00 0.00 C +ATOM 56 CA LYS A 56 226.298 240.684 275.304 1.00 0.00 C +ATOM 57 CA SER A 57 228.566 239.376 272.535 1.00 0.00 C +ATOM 58 CA THR A 58 232.214 239.823 271.534 1.00 0.00 C +ATOM 59 CA ALA A 59 235.890 240.250 272.440 1.00 0.00 C +ATOM 60 CA ALA A 60 239.448 241.611 272.528 1.00 0.00 C +ATOM 61 CA ALA A 61 241.510 244.748 271.879 1.00 0.00 C +ATOM 62 CA ALA A 62 243.453 247.772 270.613 1.00 0.00 C +ATOM 63 CA GLY A 63 241.950 251.045 269.373 1.00 0.00 C +ATOM 64 CA PRO A 64 243.429 251.922 265.973 1.00 0.00 C +ATOM 65 CA SER A 65 245.692 253.607 263.412 1.00 0.00 C +ATOM 66 CA SER A 66 246.831 257.141 262.559 1.00 0.00 C +ATOM 67 CA GLU A 67 246.020 259.096 259.391 1.00 0.00 C +ATOM 68 CA VAL A 68 247.077 257.759 255.983 1.00 0.00 C +ATOM 69 CA PRO A 69 246.765 256.577 252.374 1.00 0.00 C +ATOM 70 CA LYS A 70 244.961 255.536 249.184 1.00 0.00 C +ATOM 71 CA ARG A 71 245.965 254.431 245.679 1.00 0.00 C +ATOM 72 CA PRO A 72 249.548 253.320 245.017 1.00 0.00 C +ATOM 73 CA ARG A 73 252.354 253.882 247.532 1.00 0.00 C +ATOM 74 CA GLY A 74 252.087 253.077 251.246 1.00 0.00 C +ATOM 75 CA ARG A 75 250.922 249.464 251.570 1.00 0.00 C +ATOM 76 CA PRO A 76 253.928 247.124 251.641 1.00 0.00 C +ATOM 77 CA PRO A 77 257.598 246.247 251.111 1.00 0.00 C +ATOM 78 CA LYS A 78 260.327 248.132 249.236 1.00 0.00 C +ATOM 79 CA ARG A 79 259.116 249.177 245.777 1.00 0.00 C +ATOM 80 CA PRO A 80 260.243 251.241 242.780 1.00 0.00 C +ATOM 81 CA ARG A 81 260.384 254.954 241.940 1.00 0.00 C +ATOM 82 CA THR A 82 259.449 258.336 243.426 1.00 0.00 C +ATOM 83 CA GLU A 83 257.245 259.143 246.427 1.00 0.00 C +ATOM 84 CA GLU A 84 258.010 258.524 250.108 1.00 0.00 C +ATOM 85 CA GLU A 85 259.650 259.804 253.300 1.00 0.00 C +ATOM 86 CA PRO A 86 261.560 260.578 256.504 1.00 0.00 C +ATOM 87 CA THR A 87 263.673 263.687 255.884 1.00 0.00 C +ATOM 88 CA SER A 88 264.157 267.450 255.534 1.00 0.00 C +ATOM 89 CA GLU A 89 263.148 270.411 253.359 1.00 0.00 C +ATOM 90 CA GLY A 90 265.480 273.390 252.905 1.00 0.00 C +ATOM 91 CA PRO A 91 268.220 274.812 250.673 1.00 0.00 C +ATOM 92 CA PRO A 92 271.708 274.653 249.147 1.00 0.00 C +ATOM 93 CA PRO A 93 273.728 273.233 246.246 1.00 0.00 C +ATOM 94 CA PRO A 94 275.103 272.720 242.729 1.00 0.00 C +ATOM 95 CA LYS A 95 278.718 271.519 242.738 1.00 0.00 C +ATOM 96 CA LYS A 96 281.636 273.640 241.511 1.00 0.00 C +ATOM 97 CA LYS A 97 283.522 273.271 238.222 1.00 0.00 C +ATOM 98 CA ARG A 98 285.488 271.068 235.814 1.00 0.00 C +ATOM 99 CA GLY A 99 288.401 268.647 236.231 1.00 0.00 C +ATOM 100 CA ARG A 100 290.287 266.456 238.713 1.00 0.00 C +ATOM 101 CA PRO A 101 293.819 265.469 239.746 1.00 0.00 C +ATOM 102 CA PRO A 102 296.793 267.788 240.288 1.00 0.00 C +ATOM 103 CA LYS A 103 297.406 269.726 237.065 1.00 0.00 C +ATOM 104 CA VAL A 104 300.006 268.879 234.412 1.00 0.00 C +ATOM 105 CA LYS A 105 303.230 270.904 234.272 1.00 0.00 C +ATOM 106 CA PRO A 106 305.516 273.934 233.944 1.00 0.00 C +ATOM 107 CA ALA A 107 305.513 275.754 230.597 1.00 0.00 C +ATOM 108 CA PRO A 108 307.812 274.051 228.081 1.00 0.00 C +ATOM 109 CA PRO A 109 308.879 270.789 229.735 1.00 0.00 C +ATOM 110 CA PRO A 110 311.656 270.497 232.328 1.00 0.00 C +ATOM 111 CA ALA A 111 312.894 271.528 235.780 1.00 0.00 C +ATOM 112 CA ASP A 112 315.880 269.599 237.153 1.00 0.00 C +ATOM 113 CA GLU A 113 318.523 267.431 238.835 1.00 0.00 C +ATOM 114 CA GLU A 114 319.638 265.182 241.701 1.00 0.00 C +ATOM 115 CA GLY A 115 317.424 263.895 244.522 1.00 0.00 C +ATOM 116 CA GLY A 116 315.921 260.398 244.349 1.00 0.00 C +ATOM 117 CA ASP A 117 318.331 257.449 244.230 1.00 0.00 C +ATOM 118 CA ASP A 118 317.152 253.836 243.953 1.00 0.00 C +ATOM 119 CA GLU A 119 317.132 250.373 242.367 1.00 0.00 C +ATOM 120 CA PRO A 120 317.693 249.465 238.709 1.00 0.00 C +ATOM 121 CA VAL A 121 318.940 248.228 235.328 1.00 0.00 C +ATOM 122 CA ALA A 122 320.183 249.071 231.827 1.00 0.00 C +ATOM 123 CA GLU A 123 318.188 249.850 228.675 1.00 0.00 C +ATOM 124 CA SER A 124 314.427 249.484 229.156 1.00 0.00 C +ATOM 125 CA SER A 125 313.253 245.926 228.460 1.00 0.00 C +ATOM 126 CA SER A 126 311.558 244.057 225.606 1.00 0.00 C +ATOM 127 CA PRO A 127 309.051 241.720 227.271 1.00 0.00 C +ATOM 128 CA PRO A 128 305.307 241.393 226.641 1.00 0.00 C +ATOM 129 CA LYS A 129 302.314 243.434 227.818 1.00 0.00 C +ATOM 130 CA ARG A 130 299.220 245.382 228.891 1.00 0.00 C +ATOM 131 CA LYS A 131 297.539 248.659 227.915 1.00 0.00 C +ATOM 132 CA ARG A 132 296.210 251.302 225.515 1.00 0.00 C +ATOM 133 CA GLY A 133 296.636 249.799 222.040 1.00 0.00 C +ATOM 134 CA ARG A 134 297.846 252.483 219.621 1.00 0.00 C +ATOM 135 CA PRO A 135 300.274 252.371 216.687 1.00 0.00 C +ATOM 136 CA ARG A 136 301.181 248.698 216.233 1.00 0.00 C +ATOM 137 CA LYS A 137 304.160 246.945 217.836 1.00 0.00 C +ATOM 138 CA ASP A 138 304.137 247.359 221.623 1.00 0.00 C +ATOM 139 CA SER A 139 303.967 249.496 224.773 1.00 0.00 C +ATOM 140 CA SER A 140 304.287 253.277 225.112 1.00 0.00 C +TER 141 SER A 140 +END diff --git a/Fungi/A0A4S2N7B5/A0A4S2N7B5.dcd b/Fungi/A0A4S2N7B5/A0A4S2N7B5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..adbf0da37b96f797007558ae408f3f138dbf6101 --- /dev/null +++ b/Fungi/A0A4S2N7B5/A0A4S2N7B5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e3e13249c0a201a6326619327f558645f1a2f71d2f206e316a7d0e2cd97704b5 +size 18920276 diff --git a/Fungi/A0A4S2N7B5/top.pdb b/Fungi/A0A4S2N7B5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..71285a679c65724d4e127c7466709412f573ecca --- /dev/null +++ b/Fungi/A0A4S2N7B5/top.pdb @@ -0,0 +1,155 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 270.172 228.457 308.533 1.00 0.00 C +ATOM 2 CA ARG A 2 269.433 226.981 305.099 1.00 0.00 C +ATOM 3 CA SER A 3 268.837 225.991 301.468 1.00 0.00 C +ATOM 4 CA PRO A 4 266.232 225.787 298.695 1.00 0.00 C +ATOM 5 CA ALA A 5 262.807 226.101 297.057 1.00 0.00 C +ATOM 6 CA PRO A 6 259.205 224.898 296.749 1.00 0.00 C +ATOM 7 CA GLY A 7 258.118 221.680 298.475 1.00 0.00 C +ATOM 8 CA ALA A 8 259.884 218.311 298.256 1.00 0.00 C +ATOM 9 CA PRO A 9 262.284 217.989 295.314 1.00 0.00 C +ATOM 10 CA GLN A 10 262.694 215.183 292.770 1.00 0.00 C +ATOM 11 CA GLN A 11 264.307 214.336 289.424 1.00 0.00 C +ATOM 12 CA GLN A 12 265.096 215.183 285.794 1.00 0.00 C +ATOM 13 CA GLN A 13 263.477 213.252 282.936 1.00 0.00 C +ATOM 14 CA GLN A 14 260.738 213.886 280.365 1.00 0.00 C +ATOM 15 CA ALA A 15 257.420 213.159 282.091 1.00 0.00 C +ATOM 16 CA PRO A 16 253.619 213.418 282.173 1.00 0.00 C +ATOM 17 CA PRO A 17 249.880 213.836 282.771 1.00 0.00 C +ATOM 18 CA ALA A 18 248.810 216.681 285.068 1.00 0.00 C +ATOM 19 CA ALA A 19 249.573 220.409 284.893 1.00 0.00 C +ATOM 20 CA THR A 20 252.342 221.675 282.603 1.00 0.00 C +ATOM 21 CA THR A 21 255.211 219.767 280.977 1.00 0.00 C +ATOM 22 CA THR A 22 257.528 218.696 278.149 1.00 0.00 C +ATOM 23 CA THR A 23 258.501 219.788 274.631 1.00 0.00 C +ATOM 24 CA THR A 24 256.359 221.034 271.738 1.00 0.00 C +ATOM 25 CA THR A 25 257.351 219.253 268.519 1.00 0.00 C +ATOM 26 CA THR A 26 261.056 218.366 268.455 1.00 0.00 C +ATOM 27 CA ALA A 27 262.869 221.265 266.774 1.00 0.00 C +ATOM 28 CA GLN A 28 263.578 223.600 263.848 1.00 0.00 C +ATOM 29 CA VAL A 29 261.739 222.596 260.666 1.00 0.00 C +ATOM 30 CA VAL A 30 258.817 221.932 258.312 1.00 0.00 C +ATOM 31 CA LEU A 31 255.803 224.104 257.469 1.00 0.00 C +ATOM 32 CA PRO A 32 253.114 223.749 254.793 1.00 0.00 C +ATOM 33 CA GLU A 33 250.649 226.647 254.991 1.00 0.00 C +ATOM 34 CA SER A 34 247.458 227.963 256.605 1.00 0.00 C +ATOM 35 CA VAL A 35 244.701 225.342 256.403 1.00 0.00 C +ATOM 36 CA ALA A 36 245.927 222.138 254.745 1.00 0.00 C +ATOM 37 CA PRO A 37 248.448 219.775 253.140 1.00 0.00 C +ATOM 38 CA ASP A 38 250.286 217.084 255.115 1.00 0.00 C +ATOM 39 CA GLY A 39 249.750 213.342 254.643 1.00 0.00 C +ATOM 40 CA THR A 40 252.824 211.368 255.725 1.00 0.00 C +ATOM 41 CA LEU A 41 255.463 210.775 258.408 1.00 0.00 C +ATOM 42 CA ARG A 42 255.732 212.884 261.569 1.00 0.00 C +ATOM 43 CA LEU A 43 253.732 216.126 261.500 1.00 0.00 C +ATOM 44 CA ARG A 44 254.837 219.676 262.336 1.00 0.00 C +ATOM 45 CA GLY A 45 253.962 222.931 264.112 1.00 0.00 C +ATOM 46 CA ALA A 46 256.207 225.264 266.120 1.00 0.00 C +ATOM 47 CA ALA A 47 256.488 228.313 268.387 1.00 0.00 C +ATOM 48 CA ILE A 48 258.867 227.227 271.158 1.00 0.00 C +ATOM 49 CA GLU A 49 259.851 230.241 273.271 1.00 0.00 C +ATOM 50 CA ASP A 50 260.565 230.234 277.014 1.00 0.00 C +ATOM 51 CA ARG A 51 262.977 227.809 278.694 1.00 0.00 C +ATOM 52 CA ARG A 52 266.720 227.846 279.404 1.00 0.00 C +ATOM 53 CA VAL A 53 270.033 229.519 278.545 1.00 0.00 C +ATOM 54 CA LYS A 54 269.492 233.236 279.184 1.00 0.00 C +ATOM 55 CA TRP A 55 268.985 236.972 279.732 1.00 0.00 C +ATOM 56 CA ASP A 56 267.240 239.837 277.925 1.00 0.00 C +ATOM 57 CA GLU A 57 264.473 241.628 276.014 1.00 0.00 C +ATOM 58 CA GLY A 58 262.138 243.884 274.021 1.00 0.00 C +ATOM 59 CA VAL A 59 258.610 245.015 273.134 1.00 0.00 C +ATOM 60 CA VAL A 60 257.639 247.174 270.149 1.00 0.00 C +ATOM 61 CA ASP A 61 254.351 249.035 270.647 1.00 0.00 C +ATOM 62 CA ASN A 62 251.350 251.252 269.879 1.00 0.00 C +ATOM 63 CA GLU A 63 248.361 253.117 271.330 1.00 0.00 C +ATOM 64 CA GLY A 64 246.474 256.050 269.796 1.00 0.00 C +ATOM 65 CA MET A 65 248.075 256.853 266.433 1.00 0.00 C +ATOM 66 CA GLY A 66 245.564 257.501 263.642 1.00 0.00 C +ATOM 67 CA LYS A 67 244.450 261.068 262.901 1.00 0.00 C +ATOM 68 CA LYS A 68 243.309 264.468 261.615 1.00 0.00 C +ATOM 69 CA SER A 69 243.820 265.246 257.921 1.00 0.00 C +ATOM 70 CA SER A 70 244.545 267.400 254.863 1.00 0.00 C +ATOM 71 CA LYS A 71 248.082 268.727 255.363 1.00 0.00 C +ATOM 72 CA VAL A 72 250.206 269.946 252.444 1.00 0.00 C +ATOM 73 CA CYS A 73 251.777 271.219 249.215 1.00 0.00 C +ATOM 74 CA CYS A 74 252.733 273.679 246.468 1.00 0.00 C +ATOM 75 CA ILE A 75 251.228 277.085 245.659 1.00 0.00 C +ATOM 76 CA TYR A 76 252.688 280.105 243.854 1.00 0.00 C +ATOM 77 CA HIS A 77 254.348 283.457 243.126 1.00 0.00 C +ATOM 78 CA ARG A 78 256.252 286.754 243.252 1.00 0.00 C +ATOM 79 CA PRO A 79 255.918 290.544 243.460 1.00 0.00 C +ATOM 80 CA ARG A 80 258.511 292.123 241.157 1.00 0.00 C +ATOM 81 CA ALA A 81 258.439 293.026 237.457 1.00 0.00 C +ATOM 82 CA TYR A 82 259.874 295.809 235.285 1.00 0.00 C +ATOM 83 CA ASP A 83 258.992 296.660 231.678 1.00 0.00 C +ATOM 84 CA GLU A 84 261.003 295.160 228.810 1.00 0.00 C +ATOM 85 CA SER A 85 262.994 292.333 227.210 1.00 0.00 C +ATOM 86 CA SER A 86 263.345 291.532 223.502 1.00 0.00 C +ATOM 87 CA ASP A 87 264.763 288.986 221.048 1.00 0.00 C +ATOM 88 CA SER A 88 263.458 285.414 220.818 1.00 0.00 C +ATOM 89 CA ASP A 89 263.612 281.934 219.275 1.00 0.00 C +ATOM 90 CA SER A 90 263.827 278.937 221.618 1.00 0.00 C +ATOM 91 CA SER A 91 263.133 275.411 222.885 1.00 0.00 C +ATOM 92 CA ASP A 92 261.368 272.363 224.338 1.00 0.00 C +ATOM 93 CA SER A 93 259.883 268.900 223.774 1.00 0.00 C +ATOM 94 CA SER A 94 257.547 266.754 225.885 1.00 0.00 C +ATOM 95 CA SER A 95 257.892 265.476 229.457 1.00 0.00 C +ATOM 96 CA ASP A 96 257.553 262.892 232.237 1.00 0.00 C +ATOM 97 CA ASP A 97 257.433 259.358 233.654 1.00 0.00 C +ATOM 98 CA ASP A 98 258.590 257.739 236.903 1.00 0.00 C +ATOM 99 CA SER A 99 262.115 256.498 236.164 1.00 0.00 C +ATOM 100 CA ASP A 100 263.538 255.107 232.914 1.00 0.00 C +ATOM 101 CA ARG A 101 261.617 255.131 229.624 1.00 0.00 C +ATOM 102 CA GLY A 102 258.669 253.517 227.828 1.00 0.00 C +ATOM 103 CA ASN A 103 255.344 252.659 226.177 1.00 0.00 C +ATOM 104 CA GLY A 104 253.937 255.848 224.638 1.00 0.00 C +ATOM 105 CA GLY A 105 251.107 255.710 222.092 1.00 0.00 C +ATOM 106 CA GLY A 106 248.607 255.488 219.225 1.00 0.00 C +ATOM 107 CA GLY A 107 245.226 254.160 218.076 1.00 0.00 C +ATOM 108 CA ASP A 108 242.899 252.891 220.812 1.00 0.00 C +ATOM 109 CA GLY A 109 239.287 254.093 220.644 1.00 0.00 C +ATOM 110 CA ASP A 110 237.326 253.832 217.388 1.00 0.00 C +ATOM 111 CA GLY A 111 235.253 256.615 215.816 1.00 0.00 C +ATOM 112 CA CYS A 112 232.407 257.944 217.972 1.00 0.00 C +ATOM 113 CA GLU A 113 229.617 258.248 220.549 1.00 0.00 C +ATOM 114 CA LYS A 114 225.877 258.911 220.852 1.00 0.00 C +ATOM 115 CA SER A 115 224.255 255.547 220.097 1.00 0.00 C +ATOM 116 CA ASP A 116 221.304 254.891 222.416 1.00 0.00 C +ATOM 117 CA ARG A 117 220.178 251.269 222.055 1.00 0.00 C +ATOM 118 CA CYS A 118 221.887 249.278 224.817 1.00 0.00 C +ATOM 119 CA GLY A 119 224.231 250.443 227.586 1.00 0.00 C +ATOM 120 CA HIS A 120 222.217 252.642 229.957 1.00 0.00 C +ATOM 121 CA GLY A 121 222.479 255.658 232.271 1.00 0.00 C +ATOM 122 CA HIS A 122 225.534 254.920 234.425 1.00 0.00 C +ATOM 123 CA GLY A 123 226.336 257.526 237.087 1.00 0.00 C +ATOM 124 CA LYS A 124 229.726 258.941 238.096 1.00 0.00 C +ATOM 125 CA LYS A 125 233.269 259.866 239.150 1.00 0.00 C +ATOM 126 CA SER A 126 233.719 263.644 238.955 1.00 0.00 C +ATOM 127 CA ARG A 127 236.177 266.315 240.112 1.00 0.00 C +ATOM 128 CA LYS A 128 238.520 269.225 240.862 1.00 0.00 C +ATOM 129 CA PRO A 129 238.150 272.148 238.446 1.00 0.00 C +ATOM 130 CA LYS A 130 240.115 272.454 235.197 1.00 0.00 C +ATOM 131 CA PRO A 131 242.294 275.550 234.770 1.00 0.00 C +ATOM 132 CA ASN A 132 243.940 275.562 231.334 1.00 0.00 C +ATOM 133 CA ALA A 133 244.513 273.721 228.048 1.00 0.00 C +ATOM 134 CA TYR A 134 244.556 270.388 226.203 1.00 0.00 C +ATOM 135 CA GLU A 135 243.685 267.796 223.550 1.00 0.00 C +ATOM 136 CA LYS A 136 243.835 268.426 219.796 1.00 0.00 C +ATOM 137 CA MET A 137 242.455 267.440 216.384 1.00 0.00 C +ATOM 138 CA PRO A 138 238.758 266.715 215.818 1.00 0.00 C +ATOM 139 CA LYS A 139 235.643 268.553 214.618 1.00 0.00 C +ATOM 140 CA HIS A 140 234.560 271.026 211.929 1.00 0.00 C +ATOM 141 CA LYS A 141 232.935 273.969 213.721 1.00 0.00 C +ATOM 142 CA LYS A 142 232.976 275.986 216.953 1.00 0.00 C +ATOM 143 CA GLY A 143 231.634 274.974 220.372 1.00 0.00 C +ATOM 144 CA SER A 144 229.560 276.091 223.366 1.00 0.00 C +ATOM 145 CA GLY A 145 227.955 273.046 225.001 1.00 0.00 C +ATOM 146 CA GLY A 146 227.443 273.057 228.777 1.00 0.00 C +ATOM 147 CA HIS A 147 227.787 271.343 232.162 1.00 0.00 C +ATOM 148 CA GLY A 148 226.661 271.347 235.801 1.00 0.00 C +ATOM 149 CA LEU A 149 227.775 273.574 238.685 1.00 0.00 C +ATOM 150 CA GLN A 150 230.107 272.112 241.320 1.00 0.00 C +ATOM 151 CA LYS A 151 233.348 271.980 243.320 1.00 0.00 C +TER 152 LYS A 151 +END diff --git a/Fungi/A0A4S3JKW4/A0A4S3JKW4.dcd b/Fungi/A0A4S3JKW4/A0A4S3JKW4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..9dd7100b55e2876f9a7dd6be1afa173c0be93b5e --- /dev/null +++ b/Fungi/A0A4S3JKW4/A0A4S3JKW4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:505de253d01f546fabef29f527e3d2a662133a66e2ed0e9114b105e850bb1929 +size 12920276 diff --git a/Fungi/A0A4S3JKW4/top.pdb b/Fungi/A0A4S3JKW4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..fe77b0fa24d09cb3db6047dba9f3e8ddcf8b8348 --- /dev/null +++ b/Fungi/A0A4S3JKW4/top.pdb @@ -0,0 +1,105 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 240.718 235.517 213.989 1.00 0.00 C +ATOM 2 CA ALA A 2 239.616 238.976 215.145 1.00 0.00 C +ATOM 3 CA ASP A 3 236.981 238.422 217.841 1.00 0.00 C +ATOM 4 CA ILE A 4 234.258 240.209 219.817 1.00 0.00 C +ATOM 5 CA GLU A 5 233.262 241.467 223.273 1.00 0.00 C +ATOM 6 CA SER A 6 235.991 243.069 225.395 1.00 0.00 C +ATOM 7 CA SER A 7 239.046 245.275 224.832 1.00 0.00 C +ATOM 8 CA ARG A 8 238.410 248.980 224.208 1.00 0.00 C +ATOM 9 CA ARG A 9 241.244 251.073 222.759 1.00 0.00 C +ATOM 10 CA SER A 10 244.602 249.359 223.307 1.00 0.00 C +ATOM 11 CA ASP A 11 248.340 249.479 224.034 1.00 0.00 C +ATOM 12 CA VAL A 12 251.381 248.383 226.051 1.00 0.00 C +ATOM 13 CA HIS A 13 254.570 249.144 227.993 1.00 0.00 C +ATOM 14 CA GLU A 14 256.766 252.049 229.114 1.00 0.00 C +ATOM 15 CA TYR A 15 257.493 255.320 230.927 1.00 0.00 C +ATOM 16 CA GLN A 16 254.782 256.320 233.409 1.00 0.00 C +ATOM 17 CA GLY A 17 251.226 255.760 232.160 1.00 0.00 C +ATOM 18 CA PRO A 18 249.199 252.539 231.995 1.00 0.00 C +ATOM 19 CA ASN A 19 249.256 248.760 232.483 1.00 0.00 C +ATOM 20 CA GLU A 20 245.809 247.138 232.518 1.00 0.00 C +ATOM 21 CA VAL A 21 245.018 245.511 235.871 1.00 0.00 C +ATOM 22 CA VAL A 22 246.027 242.140 237.332 1.00 0.00 C +ATOM 23 CA GLY A 23 247.697 239.236 239.147 1.00 0.00 C +ATOM 24 CA VAL A 24 250.948 239.590 241.101 1.00 0.00 C +ATOM 25 CA GLU A 25 253.041 242.468 242.462 1.00 0.00 C +ATOM 26 CA GLU A 26 252.984 246.276 242.360 1.00 0.00 C +ATOM 27 CA GLY A 27 254.661 249.474 241.146 1.00 0.00 C +ATOM 28 CA ARG A 28 255.458 250.135 237.479 1.00 0.00 C +ATOM 29 CA LYS A 29 258.766 251.854 236.696 1.00 0.00 C +ATOM 30 CA ILE A 30 261.794 252.802 238.805 1.00 0.00 C +ATOM 31 CA GLU A 31 264.539 254.220 236.576 1.00 0.00 C +ATOM 32 CA ARG A 32 265.080 257.932 237.240 1.00 0.00 C +ATOM 33 CA SER A 33 266.500 261.456 237.536 1.00 0.00 C +ATOM 34 CA LYS A 34 269.571 262.623 239.464 1.00 0.00 C +ATOM 35 CA PHE A 35 272.449 260.391 238.345 1.00 0.00 C +ATOM 36 CA PRO A 36 274.389 257.302 239.446 1.00 0.00 C +ATOM 37 CA ASN A 37 275.801 256.405 242.869 1.00 0.00 C +ATOM 38 CA ASN A 38 275.053 253.196 244.781 1.00 0.00 C +ATOM 39 CA GLY A 39 272.260 253.331 247.369 1.00 0.00 C +ATOM 40 CA GLU A 40 270.906 254.314 250.792 1.00 0.00 C +ATOM 41 CA ILE A 41 268.690 254.612 253.877 1.00 0.00 C +ATOM 42 CA ARG A 42 266.135 257.438 253.859 1.00 0.00 C +ATOM 43 CA ARG A 43 265.348 258.631 250.327 1.00 0.00 C +ATOM 44 CA GLY A 44 265.544 256.514 247.165 1.00 0.00 C +ATOM 45 CA LYS A 45 262.327 255.217 245.589 1.00 0.00 C +ATOM 46 CA GLY A 46 259.163 254.095 247.391 1.00 0.00 C +ATOM 47 CA GLU A 47 256.100 251.833 247.502 1.00 0.00 C +ATOM 48 CA SER A 48 253.821 250.425 250.211 1.00 0.00 C +ATOM 49 CA GLU A 49 251.067 251.236 252.716 1.00 0.00 C +ATOM 50 CA GLU A 50 247.355 251.678 251.978 1.00 0.00 C +ATOM 51 CA GLN A 51 245.534 252.453 248.723 1.00 0.00 C +ATOM 52 CA ALA A 52 246.966 252.389 245.193 1.00 0.00 C +ATOM 53 CA ARG A 53 249.827 254.536 243.882 1.00 0.00 C +ATOM 54 CA GLU A 54 251.244 257.103 241.449 1.00 0.00 C +ATOM 55 CA MET A 55 249.803 258.079 238.060 1.00 0.00 C +ATOM 56 CA GLY A 56 246.032 258.623 238.062 1.00 0.00 C +ATOM 57 CA SER A 57 242.450 259.725 237.374 1.00 0.00 C +ATOM 58 CA ASP A 58 240.939 260.152 240.845 1.00 0.00 C +ATOM 59 CA ARG A 59 241.517 262.701 243.618 1.00 0.00 C +ATOM 60 CA PRO A 60 242.334 261.828 247.235 1.00 0.00 C +ATOM 61 CA GLN A 61 245.886 260.673 247.985 1.00 0.00 C +ATOM 62 CA ALA A 62 248.314 260.969 250.907 1.00 0.00 C +ATOM 63 CA ASP A 63 251.250 258.992 252.317 1.00 0.00 C +ATOM 64 CA GLY A 64 254.661 258.470 250.701 1.00 0.00 C +ATOM 65 CA GLN A 65 256.645 255.975 252.788 1.00 0.00 C +ATOM 66 CA ARG A 66 258.087 257.480 255.977 1.00 0.00 C +ATOM 67 CA SER A 67 255.366 258.131 258.564 1.00 0.00 C +ATOM 68 CA GLN A 68 253.944 260.561 261.131 1.00 0.00 C +ATOM 69 CA LYS A 69 253.774 258.865 264.539 1.00 0.00 C +ATOM 70 CA ARG A 70 251.009 256.625 265.901 1.00 0.00 C +ATOM 71 CA PRO A 71 248.145 255.821 268.282 1.00 0.00 C +ATOM 72 CA GLN A 72 244.599 255.328 269.586 1.00 0.00 C +ATOM 73 CA GLU A 73 241.508 256.240 267.554 1.00 0.00 C +ATOM 74 CA ASN A 74 238.037 256.812 269.017 1.00 0.00 C +ATOM 75 CA SER A 75 234.555 256.727 270.561 1.00 0.00 C +ATOM 76 CA THR A 76 233.566 254.866 273.735 1.00 0.00 C +ATOM 77 CA GLN A 77 233.262 251.133 273.033 1.00 0.00 C +ATOM 78 CA THR A 78 236.086 249.185 274.690 1.00 0.00 C +ATOM 79 CA ASN A 79 238.740 246.473 274.357 1.00 0.00 C +ATOM 80 CA LEU A 80 242.422 245.497 274.440 1.00 0.00 C +ATOM 81 CA GLU A 81 243.324 242.804 276.980 1.00 0.00 C +ATOM 82 CA GLY A 82 245.610 240.052 278.292 1.00 0.00 C +ATOM 83 CA ARG A 83 248.689 238.208 277.015 1.00 0.00 C +ATOM 84 CA ALA A 84 251.221 237.925 279.849 1.00 0.00 C +ATOM 85 CA LYS A 85 253.502 236.050 282.256 1.00 0.00 C +ATOM 86 CA GLU A 86 251.990 233.958 285.058 1.00 0.00 C +ATOM 87 CA SER A 87 248.767 232.491 283.653 1.00 0.00 C +ATOM 88 CA ASN A 88 245.990 234.251 281.728 1.00 0.00 C +ATOM 89 CA ARG A 89 243.205 234.020 279.138 1.00 0.00 C +ATOM 90 CA LEU A 90 240.630 232.510 276.771 1.00 0.00 C +ATOM 91 CA PRO A 91 238.422 234.823 274.698 1.00 0.00 C +ATOM 92 CA PRO A 92 236.710 235.787 271.434 1.00 0.00 C +ATOM 93 CA ARG A 93 238.382 236.057 268.021 1.00 0.00 C +ATOM 94 CA ARG A 94 242.084 236.955 268.134 1.00 0.00 C +ATOM 95 CA THR A 95 243.776 239.481 270.430 1.00 0.00 C +ATOM 96 CA ARG A 96 243.465 242.921 268.821 1.00 0.00 C +ATOM 97 CA ARG A 97 244.717 244.657 265.669 1.00 0.00 C +ATOM 98 CA GLU A 98 243.549 247.092 262.981 1.00 0.00 C +ATOM 99 CA LEU A 99 243.334 250.718 261.832 1.00 0.00 C +ATOM 100 CA GLY A 100 246.083 252.457 259.848 1.00 0.00 C +ATOM 101 CA GLY A 101 248.603 254.793 258.204 1.00 0.00 C +TER 102 GLY A 101 +END diff --git a/Fungi/A0A4S8KX26/A0A4S8KX26.dcd b/Fungi/A0A4S8KX26/A0A4S8KX26.dcd new file mode 100644 index 0000000000000000000000000000000000000000..65813089e628fa201d3030f9ef80d91c63933a1c --- /dev/null +++ b/Fungi/A0A4S8KX26/A0A4S8KX26.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:62ad08a5629e84b2a2eaf34081091e70ae76a414ea9528f3011f984f6fc18722 +size 22280276 diff --git a/Fungi/A0A4S8KX26/top.pdb b/Fungi/A0A4S8KX26/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..90935b93c79dea295d4718fffdc7de379579d442 --- /dev/null +++ b/Fungi/A0A4S8KX26/top.pdb @@ -0,0 +1,183 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 187.900 191.666 221.040 1.00 0.00 C +ATOM 2 CA PRO A 2 187.517 193.884 224.114 1.00 0.00 C +ATOM 3 CA SER A 3 189.582 196.803 225.428 1.00 0.00 C +ATOM 4 CA ARG A 4 192.920 198.113 224.138 1.00 0.00 C +ATOM 5 CA LYS A 5 195.614 200.688 223.346 1.00 0.00 C +ATOM 6 CA SER A 6 198.209 203.459 223.023 1.00 0.00 C +ATOM 7 CA GLN A 7 200.962 204.907 220.822 1.00 0.00 C +ATOM 8 CA PRO A 8 203.507 207.710 221.246 1.00 0.00 C +ATOM 9 CA PRO A 9 205.704 210.452 222.719 1.00 0.00 C +ATOM 10 CA VAL A 10 208.438 209.251 225.086 1.00 0.00 C +ATOM 11 CA SER A 11 208.416 205.506 225.788 1.00 0.00 C +ATOM 12 CA ILE A 12 209.749 201.989 226.398 1.00 0.00 C +ATOM 13 CA ILE A 13 207.020 199.829 227.948 1.00 0.00 C +ATOM 14 CA SER A 14 205.937 196.553 229.563 1.00 0.00 C +ATOM 15 CA LEU A 15 205.882 197.200 233.317 1.00 0.00 C +ATOM 16 CA PRO A 16 208.567 199.829 233.946 1.00 0.00 C +ATOM 17 CA ASN A 17 209.956 200.127 237.482 1.00 0.00 C +ATOM 18 CA LEU A 18 213.673 200.845 237.906 1.00 0.00 C +ATOM 19 CA PRO A 19 214.095 204.490 238.931 1.00 0.00 C +ATOM 20 CA TYR A 20 212.285 207.237 237.009 1.00 0.00 C +ATOM 21 CA SER A 21 212.977 210.706 235.594 1.00 0.00 C +ATOM 22 CA THR A 22 211.641 214.248 235.159 1.00 0.00 C +ATOM 23 CA SER A 23 214.639 216.494 234.466 1.00 0.00 C +ATOM 24 CA SER A 24 217.718 215.910 232.299 1.00 0.00 C +ATOM 25 CA SER A 25 220.792 214.315 233.887 1.00 0.00 C +ATOM 26 CA LYS A 26 223.088 212.209 236.080 1.00 0.00 C +ATOM 27 CA PRO A 27 222.583 210.167 239.257 1.00 0.00 C +ATOM 28 CA ASN A 28 222.471 212.650 242.144 1.00 0.00 C +ATOM 29 CA SER A 29 221.911 212.534 245.911 1.00 0.00 C +ATOM 30 CA ASN A 30 219.894 215.572 247.013 1.00 0.00 C +ATOM 31 CA ASN A 31 216.714 217.491 246.162 1.00 0.00 C +ATOM 32 CA SER A 32 216.296 217.785 242.387 1.00 0.00 C +ATOM 33 CA GLY A 33 214.951 220.680 240.307 1.00 0.00 C +ATOM 34 CA GLY A 34 212.083 220.815 237.802 1.00 0.00 C +ATOM 35 CA SER A 35 208.348 220.066 237.852 1.00 0.00 C +ATOM 36 CA SER A 36 206.636 223.134 236.378 1.00 0.00 C +ATOM 37 CA GLY A 37 208.010 225.411 233.649 1.00 0.00 C +ATOM 38 CA ASN A 38 211.811 225.493 233.402 1.00 0.00 C +ATOM 39 CA ARG A 39 215.246 225.152 231.790 1.00 0.00 C +ATOM 40 CA ASN A 40 217.866 227.753 232.731 1.00 0.00 C +ATOM 41 CA GLN A 41 219.751 226.231 235.672 1.00 0.00 C +ATOM 42 CA THR A 42 223.471 226.539 236.434 1.00 0.00 C +ATOM 43 CA ARG A 43 225.483 229.267 234.694 1.00 0.00 C +ATOM 44 CA GLN A 44 224.373 232.069 232.363 1.00 0.00 C +ATOM 45 CA SER A 45 223.534 230.537 228.977 1.00 0.00 C +ATOM 46 CA PHE A 46 222.338 227.022 228.123 1.00 0.00 C +ATOM 47 CA ALA A 47 225.341 224.679 228.019 1.00 0.00 C +ATOM 48 CA SER A 48 226.054 222.798 224.784 1.00 0.00 C +ATOM 49 CA SER A 49 229.624 221.510 225.124 1.00 0.00 C +ATOM 50 CA THR A 50 230.670 218.864 222.590 1.00 0.00 C +ATOM 51 CA THR A 51 228.595 216.581 220.354 1.00 0.00 C +ATOM 52 CA SER A 52 227.549 214.214 217.558 1.00 0.00 C +ATOM 53 CA TYR A 53 225.343 212.047 215.332 1.00 0.00 C +ATOM 54 CA GLY A 54 223.470 214.508 213.107 1.00 0.00 C +ATOM 55 CA HIS A 55 224.014 216.878 210.173 1.00 0.00 C +ATOM 56 CA ALA A 56 227.578 217.851 209.244 1.00 0.00 C +ATOM 57 CA GLY A 57 229.750 220.594 207.735 1.00 0.00 C +ATOM 58 CA SER A 58 230.505 224.216 206.826 1.00 0.00 C +ATOM 59 CA GLY A 59 232.832 227.017 205.706 1.00 0.00 C +ATOM 60 CA SER A 60 236.612 226.901 206.168 1.00 0.00 C +ATOM 61 CA PHE A 61 238.657 228.643 208.870 1.00 0.00 C +ATOM 62 CA GLY A 62 241.473 228.086 211.375 1.00 0.00 C +ATOM 63 CA LYS A 63 245.039 229.017 212.341 1.00 0.00 C +ATOM 64 CA LEU A 64 247.981 231.362 211.739 1.00 0.00 C +ATOM 65 CA GLY A 65 248.088 235.053 210.800 1.00 0.00 C +ATOM 66 CA GLN A 66 244.561 236.453 210.461 1.00 0.00 C +ATOM 67 CA SER A 67 244.802 240.243 210.156 1.00 0.00 C +ATOM 68 CA VAL A 68 246.644 243.493 210.910 1.00 0.00 C +ATOM 69 CA ALA A 69 250.396 244.149 211.005 1.00 0.00 C +ATOM 70 CA SER A 70 253.629 245.465 209.479 1.00 0.00 C +ATOM 71 CA GLY A 71 255.989 246.700 212.203 1.00 0.00 C +ATOM 72 CA ASP A 72 256.035 246.912 216.007 1.00 0.00 C +ATOM 73 CA SER A 73 256.308 246.017 219.700 1.00 0.00 C +ATOM 74 CA THR A 74 257.635 243.091 221.749 1.00 0.00 C +ATOM 75 CA GLY A 75 259.284 242.508 225.134 1.00 0.00 C +ATOM 76 CA THR A 76 260.939 242.879 228.545 1.00 0.00 C +ATOM 77 CA LYS A 77 259.670 239.895 230.545 1.00 0.00 C +ATOM 78 CA GLY A 78 257.772 237.400 228.380 1.00 0.00 C +ATOM 79 CA PHE A 79 257.605 233.633 227.832 1.00 0.00 C +ATOM 80 CA GLY A 80 261.082 232.121 227.455 1.00 0.00 C +ATOM 81 CA THR A 81 264.531 232.106 229.074 1.00 0.00 C +ATOM 82 CA GLY A 82 267.328 232.497 231.631 1.00 0.00 C +ATOM 83 CA ASN A 83 269.604 230.243 233.694 1.00 0.00 C +ATOM 84 CA ASP A 84 267.867 227.991 236.229 1.00 0.00 C +ATOM 85 CA TYR A 85 267.611 227.537 240.004 1.00 0.00 C +ATOM 86 CA GLU A 86 265.960 224.857 242.150 1.00 0.00 C +ATOM 87 CA GLY A 87 262.723 224.837 244.159 1.00 0.00 C +ATOM 88 CA SER A 88 262.512 228.021 246.242 1.00 0.00 C +ATOM 89 CA ARG A 89 263.073 230.012 249.441 1.00 0.00 C +ATOM 90 CA ARG A 90 261.128 233.148 250.390 1.00 0.00 C +ATOM 91 CA SER A 91 257.859 234.745 249.259 1.00 0.00 C +ATOM 92 CA THR A 92 255.416 233.940 252.069 1.00 0.00 C +ATOM 93 CA SER A 93 256.514 230.723 253.790 1.00 0.00 C +ATOM 94 CA MET A 94 257.960 227.565 252.224 1.00 0.00 C +ATOM 95 CA PRO A 95 259.529 225.513 255.025 1.00 0.00 C +ATOM 96 CA GLY A 96 260.517 227.636 258.030 1.00 0.00 C +ATOM 97 CA ALA A 97 258.691 229.753 260.619 1.00 0.00 C +ATOM 98 CA TYR A 98 258.510 232.408 263.345 1.00 0.00 C +ATOM 99 CA GLY A 99 258.737 236.182 262.873 1.00 0.00 C +ATOM 100 CA HIS A 100 262.092 237.273 261.435 1.00 0.00 C +ATOM 101 CA SER A 101 263.510 235.922 258.166 1.00 0.00 C +ATOM 102 CA THR A 102 265.804 236.119 255.131 1.00 0.00 C +ATOM 103 CA GLY A 103 268.970 234.007 255.306 1.00 0.00 C +ATOM 104 CA THR A 104 269.841 231.474 258.015 1.00 0.00 C +ATOM 105 CA LYS A 105 272.461 228.891 257.023 1.00 0.00 C +ATOM 106 CA GLY A 106 272.206 225.382 258.485 1.00 0.00 C +ATOM 107 CA PHE A 107 274.962 224.056 260.756 1.00 0.00 C +ATOM 108 CA GLY A 108 278.468 225.343 261.509 1.00 0.00 C +ATOM 109 CA THR A 109 281.603 224.088 263.274 1.00 0.00 C +ATOM 110 CA GLY A 110 282.883 226.215 266.163 1.00 0.00 C +ATOM 111 CA ASN A 111 284.820 229.264 264.951 1.00 0.00 C +ATOM 112 CA ASP A 112 282.839 232.069 263.299 1.00 0.00 C +ATOM 113 CA PHE A 113 279.683 234.105 263.941 1.00 0.00 C +ATOM 114 CA GLU A 114 279.953 237.849 264.597 1.00 0.00 C +ATOM 115 CA HIS A 115 278.125 241.191 264.545 1.00 0.00 C +ATOM 116 CA LYS A 116 279.749 244.166 262.804 1.00 0.00 C +ATOM 117 CA VAL A 117 283.346 245.387 263.096 1.00 0.00 C +ATOM 118 CA SER A 118 286.712 246.443 261.657 1.00 0.00 C +ATOM 119 CA THR A 119 286.222 249.877 260.081 1.00 0.00 C +ATOM 120 CA ARG A 120 286.615 253.231 261.847 1.00 0.00 C +ATOM 121 CA SER A 121 283.972 254.882 264.039 1.00 0.00 C +ATOM 122 CA THR A 122 280.297 255.775 264.498 1.00 0.00 C +ATOM 123 CA ARG A 123 280.280 259.503 265.287 1.00 0.00 C +ATOM 124 CA ALA A 124 277.134 261.545 265.952 1.00 0.00 C +ATOM 125 CA ASN A 125 276.042 264.709 267.773 1.00 0.00 C +ATOM 126 CA PRO A 126 273.199 264.959 270.297 1.00 0.00 C +ATOM 127 CA PRO A 127 269.965 266.893 270.861 1.00 0.00 C +ATOM 128 CA GLY A 128 270.282 270.247 272.640 1.00 0.00 C +ATOM 129 CA SER A 129 273.888 270.433 273.857 1.00 0.00 C +ATOM 130 CA SER A 130 274.693 271.714 277.353 1.00 0.00 C +ATOM 131 CA ARG A 131 277.295 269.389 278.884 1.00 0.00 C +ATOM 132 CA ASN A 132 280.872 270.649 278.524 1.00 0.00 C +ATOM 133 CA THR A 133 283.275 270.310 281.461 1.00 0.00 C +ATOM 134 CA THR A 134 281.917 269.894 284.997 1.00 0.00 C +ATOM 135 CA SER A 135 278.503 269.509 286.644 1.00 0.00 C +ATOM 136 CA ASN A 136 275.281 268.954 284.688 1.00 0.00 C +ATOM 137 CA PHE A 137 272.842 271.787 283.954 1.00 0.00 C +ATOM 138 CA PHE A 138 272.700 275.417 282.805 1.00 0.00 C +ATOM 139 CA ARG A 139 274.492 278.756 283.200 1.00 0.00 C +ATOM 140 CA SER A 140 276.505 281.080 285.450 1.00 0.00 C +ATOM 141 CA HIS A 141 277.181 284.829 285.376 1.00 0.00 C +ATOM 142 CA PRO A 142 276.013 288.157 283.937 1.00 0.00 C +ATOM 143 CA SER A 143 273.926 291.311 283.473 1.00 0.00 C +ATOM 144 CA ILE A 144 275.487 293.305 280.626 1.00 0.00 C +ATOM 145 CA PRO A 145 274.753 296.849 279.436 1.00 0.00 C +ATOM 146 CA GLU A 146 272.000 297.066 276.812 1.00 0.00 C +ATOM 147 CA ASP A 147 271.834 300.672 275.592 1.00 0.00 C +ATOM 148 CA ASN A 148 269.099 301.850 273.215 1.00 0.00 C +ATOM 149 CA THR A 149 266.933 304.972 273.496 1.00 0.00 C +ATOM 150 CA GLY A 150 264.972 307.911 274.922 1.00 0.00 C +ATOM 151 CA SER A 151 266.844 308.833 278.109 1.00 0.00 C +ATOM 152 CA HIS A 152 265.357 309.974 281.427 1.00 0.00 C +ATOM 153 CA ASP A 153 261.892 309.924 283.010 1.00 0.00 C +ATOM 154 CA ASN A 154 258.238 310.953 283.328 1.00 0.00 C +ATOM 155 CA VAL A 155 255.141 309.796 281.434 1.00 0.00 C +ATOM 156 CA ASP A 156 251.825 311.467 280.579 1.00 0.00 C +ATOM 157 CA TYR A 157 252.368 315.206 280.088 1.00 0.00 C +ATOM 158 CA LYS A 158 250.396 318.399 279.430 1.00 0.00 C +ATOM 159 CA THR A 159 250.152 321.978 280.715 1.00 0.00 C +ATOM 160 CA ARG A 160 250.482 322.907 284.395 1.00 0.00 C +ATOM 161 CA SER A 161 253.339 322.562 286.892 1.00 0.00 C +ATOM 162 CA SER A 162 256.862 322.665 285.447 1.00 0.00 C +ATOM 163 CA ASP A 163 259.643 320.545 286.960 1.00 0.00 C +ATOM 164 CA LEU A 164 263.390 321.146 287.294 1.00 0.00 C +ATOM 165 CA THR A 165 264.609 324.051 289.437 1.00 0.00 C +ATOM 166 CA PRO A 166 264.114 327.382 287.654 1.00 0.00 C +ATOM 167 CA VAL A 167 266.719 329.961 288.692 1.00 0.00 C +ATOM 168 CA PRO A 168 270.448 330.730 288.840 1.00 0.00 C +ATOM 169 CA ALA A 169 271.915 333.983 287.506 1.00 0.00 C +ATOM 170 CA ASP A 170 270.166 335.017 284.282 1.00 0.00 C +ATOM 171 CA SER A 171 270.541 336.885 280.983 1.00 0.00 C +ATOM 172 CA THR A 172 272.328 340.213 280.484 1.00 0.00 C +ATOM 173 CA THR A 173 275.219 342.665 280.865 1.00 0.00 C +ATOM 174 CA ARG A 174 278.631 342.734 279.171 1.00 0.00 C +ATOM 175 CA LYS A 175 281.165 343.696 276.493 1.00 0.00 C +ATOM 176 CA PRO A 176 283.554 344.134 273.558 1.00 0.00 C +ATOM 177 CA ARG A 177 287.026 342.908 274.535 1.00 0.00 C +ATOM 178 CA THR A 178 290.197 344.434 273.073 1.00 0.00 C +ATOM 179 CA HIS A 179 292.786 346.897 271.752 1.00 0.00 C +TER 180 HIS A 179 +END diff --git a/Fungi/A0A4S8LBX4/A0A4S8LBX4.dcd b/Fungi/A0A4S8LBX4/A0A4S8LBX4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8dc724e14a3a62f4c20ef28c4fbad9f00c93454a --- /dev/null +++ b/Fungi/A0A4S8LBX4/A0A4S8LBX4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:573a10a13519b4bef31e34954e84d772baaf99fc32925bdae4c13cffa5e8d70b +size 6800276 diff --git a/Fungi/A0A4S8LBX4/top.pdb b/Fungi/A0A4S8LBX4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8b63dc8032c1d1dcd470b9c892b143383191098c --- /dev/null +++ b/Fungi/A0A4S8LBX4/top.pdb @@ -0,0 +1,54 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 264.168 224.483 229.556 1.00 0.00 C +ATOM 2 CA GLU A 2 267.284 223.867 231.659 1.00 0.00 C +ATOM 3 CA ALA A 3 267.434 220.552 233.530 1.00 0.00 C +ATOM 4 CA ARG A 4 266.244 219.619 237.027 1.00 0.00 C +ATOM 5 CA ILE A 5 268.646 220.189 239.929 1.00 0.00 C +ATOM 6 CA ARG A 6 268.395 223.849 240.958 1.00 0.00 C +ATOM 7 CA MET A 7 271.299 225.894 242.334 1.00 0.00 C +ATOM 8 CA ALA A 8 274.955 224.866 242.641 1.00 0.00 C +ATOM 9 CA ASP A 9 278.362 226.222 241.606 1.00 0.00 C +ATOM 10 CA GLY A 10 278.494 226.434 237.804 1.00 0.00 C +ATOM 11 CA HIS A 11 277.703 230.066 236.966 1.00 0.00 C +ATOM 12 CA SER A 12 274.912 232.238 235.549 1.00 0.00 C +ATOM 13 CA GLY A 13 271.573 233.958 236.189 1.00 0.00 C +ATOM 14 CA HIS A 14 269.557 234.574 239.363 1.00 0.00 C +ATOM 15 CA PRO A 15 266.393 235.629 241.203 1.00 0.00 C +ATOM 16 CA PRO A 16 263.191 237.427 240.189 1.00 0.00 C +ATOM 17 CA THR A 17 260.920 239.359 242.561 1.00 0.00 C +ATOM 18 CA ASP A 18 258.159 239.037 245.167 1.00 0.00 C +ATOM 19 CA GLY A 19 256.095 242.064 246.212 1.00 0.00 C +ATOM 20 CA PHE A 20 253.756 244.947 247.069 1.00 0.00 C +ATOM 21 CA LEU A 21 251.567 247.318 249.094 1.00 0.00 C +ATOM 22 CA SER A 22 247.971 246.157 248.604 1.00 0.00 C +ATOM 23 CA ASP A 23 244.893 246.714 250.779 1.00 0.00 C +ATOM 24 CA ASN A 24 243.555 249.814 252.545 1.00 0.00 C +ATOM 25 CA PRO A 25 242.594 253.239 253.908 1.00 0.00 C +ATOM 26 CA ARG A 26 245.765 255.177 254.746 1.00 0.00 C +ATOM 27 CA MET A 27 246.960 258.778 254.393 1.00 0.00 C +ATOM 28 CA ASN A 28 246.349 260.528 257.722 1.00 0.00 C +ATOM 29 CA GLY A 29 245.854 264.272 258.226 1.00 0.00 C +ATOM 30 CA GLY A 30 246.572 267.736 259.640 1.00 0.00 C +ATOM 31 CA TRP A 31 245.651 267.931 263.332 1.00 0.00 C +ATOM 32 CA ASN A 32 241.886 268.303 263.779 1.00 0.00 C +ATOM 33 CA GLU A 33 241.510 270.125 267.104 1.00 0.00 C +ATOM 34 CA ALA A 34 240.183 273.693 266.946 1.00 0.00 C +ATOM 35 CA TYR A 35 237.026 274.703 265.068 1.00 0.00 C +ATOM 36 CA ASN A 36 237.094 274.950 261.267 1.00 0.00 C +ATOM 37 CA THR A 37 240.250 276.391 259.691 1.00 0.00 C +ATOM 38 CA GLN A 38 243.078 273.838 259.611 1.00 0.00 C +ATOM 39 CA ASP A 39 243.125 272.260 256.143 1.00 0.00 C +ATOM 40 CA PRO A 40 242.111 268.627 255.608 1.00 0.00 C +ATOM 41 CA GLU A 41 240.089 265.850 253.961 1.00 0.00 C +ATOM 42 CA PHE A 42 236.534 266.925 253.107 1.00 0.00 C +ATOM 43 CA PRO A 43 233.289 265.108 253.931 1.00 0.00 C +ATOM 44 CA ALA A 44 229.574 264.290 253.710 1.00 0.00 C +ATOM 45 CA CYS A 45 226.132 265.584 254.708 1.00 0.00 C +ATOM 46 CA SER A 46 223.286 263.062 254.947 1.00 0.00 C +ATOM 47 CA ASP A 47 221.718 261.434 258.014 1.00 0.00 C +ATOM 48 CA ALA A 48 219.966 258.733 260.052 1.00 0.00 C +ATOM 49 CA ARG A 49 218.846 255.941 257.714 1.00 0.00 C +ATOM 50 CA LYS A 50 219.035 257.247 254.139 1.00 0.00 C +TER 51 LYS A 50 +END diff --git a/Fungi/A0A4S9JC21/A0A4S9JC21.dcd b/Fungi/A0A4S9JC21/A0A4S9JC21.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e89f3514168effb270539c7eced9cfcd9a061ceb --- /dev/null +++ b/Fungi/A0A4S9JC21/A0A4S9JC21.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2f5cd16449378b3795837d596ae7f813770155abe60efc0cc3b98c48380c2097 +size 14720276 diff --git a/Fungi/A0A4S9JC21/top.pdb b/Fungi/A0A4S9JC21/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..fbaeec16dead8309aad1a249621b358ad2ba0c4b --- /dev/null +++ b/Fungi/A0A4S9JC21/top.pdb @@ -0,0 +1,120 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 205.424 286.202 186.310 1.00 0.00 C +ATOM 2 CA SER A 2 206.932 286.242 189.809 1.00 0.00 C +ATOM 3 CA SER A 3 208.581 289.485 190.944 1.00 0.00 C +ATOM 4 CA HIS A 4 208.312 291.807 193.952 1.00 0.00 C +ATOM 5 CA SER A 5 210.958 293.654 195.977 1.00 0.00 C +ATOM 6 CA SER A 6 212.870 295.990 198.301 1.00 0.00 C +ATOM 7 CA SER A 7 215.607 295.865 200.949 1.00 0.00 C +ATOM 8 CA PHE A 8 216.098 297.415 204.395 1.00 0.00 C +ATOM 9 CA THR A 9 215.334 300.044 207.045 1.00 0.00 C +ATOM 10 CA SER A 10 215.470 298.384 210.471 1.00 0.00 C +ATOM 11 CA SER A 11 217.516 295.821 212.411 1.00 0.00 C +ATOM 12 CA SER A 12 220.325 297.694 214.176 1.00 0.00 C +ATOM 13 CA TYR A 13 221.768 296.485 217.489 1.00 0.00 C +ATOM 14 CA SER A 14 225.285 297.840 218.047 1.00 0.00 C +ATOM 15 CA PHE A 15 226.310 297.540 221.704 1.00 0.00 C +ATOM 16 CA SER A 16 226.497 296.892 225.454 1.00 0.00 C +ATOM 17 CA SER A 17 226.102 294.840 228.639 1.00 0.00 C +ATOM 18 CA SER A 18 226.404 291.115 227.897 1.00 0.00 C +ATOM 19 CA SER A 19 225.142 287.877 226.335 1.00 0.00 C +ATOM 20 CA THR A 20 226.063 284.396 225.091 1.00 0.00 C +ATOM 21 CA ASN A 21 229.524 283.891 223.580 1.00 0.00 C +ATOM 22 CA ASN A 22 232.722 282.441 225.059 1.00 0.00 C +ATOM 23 CA ASN A 23 233.264 279.184 226.960 1.00 0.00 C +ATOM 24 CA GLY A 24 234.992 277.130 229.664 1.00 0.00 C +ATOM 25 CA GLN A 25 235.639 277.895 233.340 1.00 0.00 C +ATOM 26 CA THR A 26 238.536 279.847 234.862 1.00 0.00 C +ATOM 27 CA THR A 27 241.944 280.856 233.489 1.00 0.00 C +ATOM 28 CA GLY A 28 244.918 281.579 235.758 1.00 0.00 C +ATOM 29 CA THR A 29 248.507 281.704 237.032 1.00 0.00 C +ATOM 30 CA THR A 30 250.094 278.256 237.362 1.00 0.00 C +ATOM 31 CA ARG A 31 252.631 276.388 239.503 1.00 0.00 C +ATOM 32 CA MET A 32 253.262 272.857 240.787 1.00 0.00 C +ATOM 33 CA THR A 33 254.758 271.680 244.087 1.00 0.00 C +ATOM 34 CA GLN A 34 258.270 273.048 244.646 1.00 0.00 C +ATOM 35 CA SER A 35 262.016 273.721 244.819 1.00 0.00 C +ATOM 36 CA HIS A 36 265.401 271.975 244.729 1.00 0.00 C +ATOM 37 CA THR A 37 266.429 269.567 247.497 1.00 0.00 C +ATOM 38 CA ASN A 38 267.160 266.962 250.180 1.00 0.00 C +ATOM 39 CA PRO A 39 270.235 264.717 250.033 1.00 0.00 C +ATOM 40 CA ASP A 40 270.709 262.867 246.736 1.00 0.00 C +ATOM 41 CA GLY A 41 268.407 264.396 244.113 1.00 0.00 C +ATOM 42 CA THR A 42 269.817 266.839 241.552 1.00 0.00 C +ATOM 43 CA THR A 43 270.752 265.451 238.129 1.00 0.00 C +ATOM 44 CA VAL A 44 269.946 261.907 236.985 1.00 0.00 C +ATOM 45 CA ARG A 45 272.549 259.624 235.395 1.00 0.00 C +ATOM 46 CA THR A 46 272.202 257.713 232.117 1.00 0.00 C +ATOM 47 CA THR A 47 268.648 257.397 230.781 1.00 0.00 C +ATOM 48 CA SER A 48 265.083 256.586 229.707 1.00 0.00 C +ATOM 49 CA GLN A 49 261.950 255.626 231.651 1.00 0.00 C +ATOM 50 CA ASN A 50 259.983 255.201 234.886 1.00 0.00 C +ATOM 51 CA VAL A 51 258.935 251.569 235.361 1.00 0.00 C +ATOM 52 CA GLY A 52 257.755 249.963 238.608 1.00 0.00 C +ATOM 53 CA GLY A 53 256.458 249.037 242.069 1.00 0.00 C +ATOM 54 CA PRO A 54 254.632 245.694 241.994 1.00 0.00 C +ATOM 55 CA SER A 55 252.796 243.731 239.293 1.00 0.00 C +ATOM 56 CA ILE A 56 250.073 241.088 238.956 1.00 0.00 C +ATOM 57 CA GLU A 57 248.334 238.169 240.679 1.00 0.00 C +ATOM 58 CA GLU A 58 250.246 235.557 242.687 1.00 0.00 C +ATOM 59 CA THR A 59 252.514 233.920 245.275 1.00 0.00 C +ATOM 60 CA ARG A 60 250.497 231.914 247.809 1.00 0.00 C +ATOM 61 CA HIS A 61 247.676 229.361 248.020 1.00 0.00 C +ATOM 62 CA TYR A 62 246.602 226.027 249.518 1.00 0.00 C +ATOM 63 CA ASP A 63 249.404 224.649 251.701 1.00 0.00 C +ATOM 64 CA SER A 64 247.734 221.931 253.784 1.00 0.00 C +ATOM 65 CA GLN A 65 250.102 219.005 254.377 1.00 0.00 C +ATOM 66 CA GLY A 66 252.982 219.674 256.779 1.00 0.00 C +ATOM 67 CA ARG A 67 256.107 221.852 256.699 1.00 0.00 C +ATOM 68 CA GLU A 68 256.232 224.763 259.154 1.00 0.00 C +ATOM 69 CA GLN A 69 258.585 227.453 257.832 1.00 0.00 C +ATOM 70 CA LEU A 70 256.817 230.541 256.469 1.00 0.00 C +ATOM 71 CA GLY A 71 257.980 234.099 257.179 1.00 0.00 C +ATOM 72 CA LEU A 72 259.710 234.776 260.505 1.00 0.00 C +ATOM 73 CA PRO A 73 262.741 234.668 262.810 1.00 0.00 C +ATOM 74 CA SER A 74 265.162 236.203 265.320 1.00 0.00 C +ATOM 75 CA GLY A 75 267.650 234.181 267.379 1.00 0.00 C +ATOM 76 CA SER A 76 268.816 232.219 270.429 1.00 0.00 C +ATOM 77 CA SER A 77 271.794 232.010 272.796 1.00 0.00 C +ATOM 78 CA ASN A 78 271.740 232.814 276.520 1.00 0.00 C +ATOM 79 CA ASN A 79 269.093 235.514 276.994 1.00 0.00 C +ATOM 80 CA GLN A 80 265.866 234.954 278.941 1.00 0.00 C +ATOM 81 CA ARG A 81 265.567 234.317 282.685 1.00 0.00 C +ATOM 82 CA ARG A 82 263.825 230.986 283.307 1.00 0.00 C +ATOM 83 CA LEU A 83 263.185 228.034 280.985 1.00 0.00 C +ATOM 84 CA GLN A 84 263.077 225.152 278.495 1.00 0.00 C +ATOM 85 CA ASP A 85 262.357 221.812 280.180 1.00 0.00 C +ATOM 86 CA ILE A 86 262.739 221.637 283.967 1.00 0.00 C +ATOM 87 CA GLU A 87 261.158 222.154 287.395 1.00 0.00 C +ATOM 88 CA VAL A 88 261.496 220.849 290.958 1.00 0.00 C +ATOM 89 CA GLU A 89 259.243 220.370 293.993 1.00 0.00 C +ATOM 90 CA ASP A 90 257.767 217.495 296.010 1.00 0.00 C +ATOM 91 CA VAL A 91 255.497 215.493 293.696 1.00 0.00 C +ATOM 92 CA THR A 92 253.338 217.442 291.236 1.00 0.00 C +ATOM 93 CA ASP A 93 252.888 221.161 290.542 1.00 0.00 C +ATOM 94 CA GLU A 94 253.072 224.958 290.295 1.00 0.00 C +ATOM 95 CA SER A 95 253.543 226.587 286.882 1.00 0.00 C +ATOM 96 CA ASP A 96 251.978 226.395 283.414 1.00 0.00 C +ATOM 97 CA ALA A 97 249.323 227.111 280.777 1.00 0.00 C +ATOM 98 CA ASP A 98 250.593 227.963 277.288 1.00 0.00 C +ATOM 99 CA LYS A 99 252.694 230.580 275.485 1.00 0.00 C +ATOM 100 CA GLU A 100 254.625 229.135 272.536 1.00 0.00 C +ATOM 101 CA TYR A 101 256.555 226.352 270.790 1.00 0.00 C +ATOM 102 CA ARG A 102 255.146 223.007 269.631 1.00 0.00 C +ATOM 103 CA GLU A 103 251.629 221.945 270.638 1.00 0.00 C +ATOM 104 CA ALA A 104 249.385 220.352 268.003 1.00 0.00 C +ATOM 105 CA MET A 105 248.897 216.632 267.339 1.00 0.00 C +ATOM 106 CA GLU A 106 250.306 215.559 263.966 1.00 0.00 C +ATOM 107 CA ASP A 107 253.963 215.471 262.901 1.00 0.00 C +ATOM 108 CA GLU A 108 257.545 216.641 262.340 1.00 0.00 C +ATOM 109 CA TYR A 109 259.315 216.798 265.710 1.00 0.00 C +ATOM 110 CA ALA A 110 260.852 216.455 269.179 1.00 0.00 C +ATOM 111 CA LYS A 111 260.735 219.380 271.617 1.00 0.00 C +ATOM 112 CA ARG A 112 259.277 218.501 275.026 1.00 0.00 C +ATOM 113 CA GLU A 113 256.457 221.005 275.572 1.00 0.00 C +ATOM 114 CA GLY A 114 255.600 224.364 277.152 1.00 0.00 C +ATOM 115 CA GLY A 115 257.272 225.311 280.442 1.00 0.00 C +ATOM 116 CA ALA A 116 256.722 222.367 282.798 1.00 0.00 C +TER 117 ALA A 116 +END diff --git a/Fungi/A0A4T0BXT5/A0A4T0BXT5.dcd b/Fungi/A0A4T0BXT5/A0A4T0BXT5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a226eac671034bde75159912e6d2304c40e2dfad --- /dev/null +++ b/Fungi/A0A4T0BXT5/A0A4T0BXT5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c1a4c60036ba92ce47bd9521deedeee4bfaeb4a018adbb2af8163ea4e1ba4ce8 +size 37020276 diff --git a/Fungi/A0A4T0BXT5/top.pdb b/Fungi/A0A4T0BXT5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..56c52ced45969b4f276ba205cfcf2b5c4ac7bd14 --- /dev/null +++ b/Fungi/A0A4T0BXT5/top.pdb @@ -0,0 +1,203 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 195.861 234.891 265.212 1.00 0.00 C +ATOM 2 CA SER A 2 193.503 237.658 266.352 1.00 0.00 C +ATOM 3 CA GLU A 3 194.334 241.206 267.465 1.00 0.00 C +ATOM 4 CA ASN A 4 197.023 241.756 270.108 1.00 0.00 C +ATOM 5 CA ILE A 5 200.666 242.815 270.455 1.00 0.00 C +ATOM 6 CA PRO A 6 203.827 244.628 271.569 1.00 0.00 C +ATOM 7 CA GLU A 7 204.717 243.050 274.921 1.00 0.00 C +ATOM 8 CA SER A 8 207.218 240.310 274.054 1.00 0.00 C +ATOM 9 CA ILE A 9 205.571 237.115 275.315 1.00 0.00 C +ATOM 10 CA PRO A 10 207.436 233.793 275.295 1.00 0.00 C +ATOM 11 CA THR A 11 210.159 231.505 273.929 1.00 0.00 C +ATOM 12 CA HIS A 12 213.866 230.772 274.414 1.00 0.00 C +ATOM 13 CA ARG A 13 215.086 227.719 276.341 1.00 0.00 C +ATOM 14 CA ASP A 14 213.182 224.419 276.300 1.00 0.00 C +ATOM 15 CA PRO A 15 215.457 221.416 275.735 1.00 0.00 C +ATOM 16 CA ARG A 16 216.834 218.242 274.140 1.00 0.00 C +ATOM 17 CA SER A 17 216.048 215.442 276.602 1.00 0.00 C +ATOM 18 CA GLY A 18 218.107 212.286 276.039 1.00 0.00 C +ATOM 19 CA GLN A 19 221.692 211.120 276.592 1.00 0.00 C +ATOM 20 CA ALA A 20 224.319 213.810 275.979 1.00 0.00 C +ATOM 21 CA THR A 21 227.868 215.085 276.523 1.00 0.00 C +ATOM 22 CA LYS A 22 231.230 213.853 275.222 1.00 0.00 C +ATOM 23 CA LYS A 23 233.786 215.259 272.771 1.00 0.00 C +ATOM 24 CA ARG A 24 237.358 216.212 271.849 1.00 0.00 C +ATOM 25 CA ALA A 25 239.919 215.053 274.421 1.00 0.00 C +ATOM 26 CA LEU A 26 241.541 217.430 276.919 1.00 0.00 C +ATOM 27 CA SER A 27 239.859 219.133 279.883 1.00 0.00 C +ATOM 28 CA PRO A 28 236.737 221.245 279.328 1.00 0.00 C +ATOM 29 CA ARG A 29 233.064 222.146 279.788 1.00 0.00 C +ATOM 30 CA SER A 30 229.433 222.720 280.788 1.00 0.00 C +ATOM 31 CA LYS A 31 228.064 226.269 280.579 1.00 0.00 C +ATOM 32 CA GLN A 32 224.318 226.926 280.819 1.00 0.00 C +ATOM 33 CA SER A 33 221.329 229.255 281.219 1.00 0.00 C +ATOM 34 CA ALA A 34 219.892 232.771 281.519 1.00 0.00 C +ATOM 35 CA HIS A 35 221.756 236.004 282.285 1.00 0.00 C +ATOM 36 CA LEU A 36 221.713 239.113 284.487 1.00 0.00 C +ATOM 37 CA GLU A 37 222.546 242.678 283.432 1.00 0.00 C +ATOM 38 CA HIS A 38 223.944 246.125 284.255 1.00 0.00 C +ATOM 39 CA LEU A 39 226.999 247.364 286.166 1.00 0.00 C +ATOM 40 CA PHE A 40 227.078 249.907 289.002 1.00 0.00 C +ATOM 41 CA ALA A 41 229.614 251.148 291.560 1.00 0.00 C +ATOM 42 CA PHE A 42 231.812 250.147 294.507 1.00 0.00 C +ATOM 43 CA PRO A 43 232.304 246.383 294.179 1.00 0.00 C +ATOM 44 CA GLU A 44 235.196 244.295 292.839 1.00 0.00 C +ATOM 45 CA LYS A 45 237.036 244.234 289.503 1.00 0.00 C +ATOM 46 CA ALA A 46 239.829 245.928 287.542 1.00 0.00 C +ATOM 47 CA ILE A 47 242.330 248.050 289.480 1.00 0.00 C +ATOM 48 CA THR A 48 241.615 251.657 288.485 1.00 0.00 C +ATOM 49 CA SER A 49 244.890 253.571 288.123 1.00 0.00 C +ATOM 50 CA THR A 50 247.740 253.346 285.605 1.00 0.00 C +ATOM 51 CA THR A 51 251.456 254.189 285.617 1.00 0.00 C +ATOM 52 CA SER A 52 253.338 252.419 282.817 1.00 0.00 C +ATOM 53 CA SER A 53 254.877 249.350 281.164 1.00 0.00 C +ATOM 54 CA LYS A 54 254.297 246.052 279.348 1.00 0.00 C +ATOM 55 CA HIS A 55 251.387 243.594 279.240 1.00 0.00 C +ATOM 56 CA SER A 56 248.261 245.198 280.714 1.00 0.00 C +ATOM 57 CA SER A 57 244.575 246.127 280.455 1.00 0.00 C +ATOM 58 CA SER A 58 240.895 246.309 279.486 1.00 0.00 C +ATOM 59 CA SER A 59 240.015 243.311 277.305 1.00 0.00 C +ATOM 60 CA LEU A 60 238.234 244.827 274.298 1.00 0.00 C +ATOM 61 CA PRO A 61 236.845 248.300 275.026 1.00 0.00 C +ATOM 62 CA PRO A 62 238.447 251.373 276.609 1.00 0.00 C +ATOM 63 CA GLU A 63 238.696 254.651 274.684 1.00 0.00 C +ATOM 64 CA ILE A 64 241.854 256.667 273.993 1.00 0.00 C +ATOM 65 CA VAL A 65 243.030 256.773 270.370 1.00 0.00 C +ATOM 66 CA ALA A 66 242.982 253.389 268.622 1.00 0.00 C +ATOM 67 CA ASN A 67 245.446 250.929 267.073 1.00 0.00 C +ATOM 68 CA VAL A 68 249.122 251.471 266.231 1.00 0.00 C +ATOM 69 CA GLN A 69 251.140 250.617 263.114 1.00 0.00 C +ATOM 70 CA GLY A 70 253.409 250.671 260.054 1.00 0.00 C +ATOM 71 CA SER A 71 252.298 250.427 256.418 1.00 0.00 C +ATOM 72 CA SER A 72 250.075 248.255 254.215 1.00 0.00 C +ATOM 73 CA ALA A 73 247.599 245.359 254.266 1.00 0.00 C +ATOM 74 CA GLY A 74 247.011 243.086 257.267 1.00 0.00 C +ATOM 75 CA ALA A 75 245.123 239.941 256.236 1.00 0.00 C +ATOM 76 CA GLY A 76 243.995 240.053 252.599 1.00 0.00 C +ATOM 77 CA SER A 77 245.040 241.909 249.440 1.00 0.00 C +ATOM 78 CA GLY A 78 247.029 244.609 247.632 1.00 0.00 C +ATOM 79 CA GLU A 79 249.607 242.704 245.572 1.00 0.00 C +ATOM 80 CA PHE A 80 249.086 238.931 245.658 1.00 0.00 C +ATOM 81 CA HIS A 81 249.954 236.059 248.006 1.00 0.00 C +ATOM 82 CA VAL A 82 253.523 235.848 249.322 1.00 0.00 C +ATOM 83 CA TYR A 83 256.919 235.145 250.899 1.00 0.00 C +ATOM 84 CA LYS A 84 259.321 232.205 251.219 1.00 0.00 C +ATOM 85 CA ALA A 85 257.703 229.209 252.928 1.00 0.00 C +ATOM 86 CA SER A 86 257.186 226.213 250.631 1.00 0.00 C +ATOM 87 CA ARG A 87 255.798 227.236 247.234 1.00 0.00 C +ATOM 88 CA ARG A 88 258.403 229.110 245.180 1.00 0.00 C +ATOM 89 CA ARG A 89 261.063 231.294 243.546 1.00 0.00 C +ATOM 90 CA GLU A 90 259.436 233.633 241.017 1.00 0.00 C +ATOM 91 CA TYR A 91 260.152 236.944 239.275 1.00 0.00 C +ATOM 92 CA GLU A 92 257.407 239.444 238.420 1.00 0.00 C +ATOM 93 CA ARG A 93 254.360 241.121 239.975 1.00 0.00 C +ATOM 94 CA LEU A 94 251.301 240.053 237.971 1.00 0.00 C +ATOM 95 CA ARG A 95 247.671 238.947 238.313 1.00 0.00 C +ATOM 96 CA ALA A 96 245.530 236.621 236.187 1.00 0.00 C +ATOM 97 CA MET A 97 247.452 233.421 235.423 1.00 0.00 C +ATOM 98 CA ASP A 98 250.177 231.448 237.211 1.00 0.00 C +ATOM 99 CA GLU A 99 253.865 231.447 238.169 1.00 0.00 C +ATOM 100 CA GLU A 100 256.258 231.153 235.219 1.00 0.00 C +ATOM 101 CA LYS A 101 258.123 234.302 234.159 1.00 0.00 C +ATOM 102 CA GLU A 102 258.542 235.529 230.577 1.00 0.00 C +ATOM 103 CA LYS A 103 260.512 234.250 227.577 1.00 0.00 C +ATOM 104 CA GLU A 104 263.654 234.914 225.527 1.00 0.00 C +ATOM 105 CA GLU A 105 264.252 234.514 221.785 1.00 0.00 C +ATOM 106 CA ARG A 106 265.678 235.386 218.361 1.00 0.00 C +ATOM 107 CA ASP A 107 265.172 235.719 214.600 1.00 0.00 C +ATOM 108 CA GLY A 108 263.763 233.093 212.227 1.00 0.00 C +ATOM 109 CA GLU A 109 262.554 229.481 212.107 1.00 0.00 C +ATOM 110 CA PHE A 110 259.746 228.844 214.602 1.00 0.00 C +ATOM 111 CA GLU A 111 260.441 226.900 217.804 1.00 0.00 C +ATOM 112 CA MET A 112 262.901 226.608 220.699 1.00 0.00 C +ATOM 113 CA ARG A 113 266.242 225.828 219.042 1.00 0.00 C +ATOM 114 CA LYS A 114 269.044 226.797 221.434 1.00 0.00 C +ATOM 115 CA LYS A 115 271.870 226.908 223.988 1.00 0.00 C +ATOM 116 CA GLU A 116 272.035 224.893 227.217 1.00 0.00 C +ATOM 117 CA GLN A 117 271.605 223.831 230.851 1.00 0.00 C +ATOM 118 CA GLU A 118 271.574 223.195 234.607 1.00 0.00 C +ATOM 119 CA GLU A 119 270.115 223.506 238.113 1.00 0.00 C +ATOM 120 CA ARG A 120 269.406 225.067 241.516 1.00 0.00 C +ATOM 121 CA ASP A 121 268.005 226.752 244.632 1.00 0.00 C +ATOM 122 CA ARG A 122 267.656 229.452 247.297 1.00 0.00 C +ATOM 123 CA GLU A 123 269.493 232.279 249.073 1.00 0.00 C +ATOM 124 CA LYS A 124 272.903 233.176 247.630 1.00 0.00 C +ATOM 125 CA THR A 125 275.407 235.969 248.297 1.00 0.00 C +ATOM 126 CA GLU A 126 277.177 238.786 246.440 1.00 0.00 C +ATOM 127 CA LYS A 127 275.623 239.779 243.106 1.00 0.00 C +ATOM 128 CA ASN A 128 273.145 242.623 243.646 1.00 0.00 C +ATOM 129 CA ARG A 129 272.685 246.289 242.715 1.00 0.00 C +ATOM 130 CA VAL A 130 276.172 247.820 242.598 1.00 0.00 C +ATOM 131 CA LYS A 131 277.009 250.137 245.504 1.00 0.00 C +ATOM 132 CA ARG A 132 275.775 249.553 249.061 1.00 0.00 C +ATOM 133 CA GLU A 133 276.594 247.800 252.344 1.00 0.00 C +ATOM 134 CA LYS A 134 274.542 248.991 255.325 1.00 0.00 C +ATOM 135 CA ALA A 135 270.773 248.451 255.183 1.00 0.00 C +ATOM 136 CA ARG A 136 268.576 248.121 258.278 1.00 0.00 C +ATOM 137 CA LEU A 137 267.664 244.465 258.843 1.00 0.00 C +ATOM 138 CA ARG A 138 267.459 240.971 257.337 1.00 0.00 C +ATOM 139 CA LYS A 139 265.661 238.180 255.468 1.00 0.00 C +ATOM 140 CA GLU A 140 266.262 238.944 251.784 1.00 0.00 C +ATOM 141 CA LYS A 141 266.548 238.923 247.985 1.00 0.00 C +ATOM 142 CA GLY A 142 264.185 237.067 245.642 1.00 0.00 C +ATOM 143 CA LYS A 143 260.955 239.084 245.521 1.00 0.00 C +ATOM 144 CA ALA A 144 259.605 240.255 248.886 1.00 0.00 C +ATOM 145 CA GLY A 145 260.194 242.462 251.936 1.00 0.00 C +ATOM 146 CA LYS A 146 263.488 244.361 252.181 1.00 0.00 C +ATOM 147 CA ASN A 147 264.678 247.864 253.093 1.00 0.00 C +ATOM 148 CA LYS A 148 264.554 251.612 252.420 1.00 0.00 C +ATOM 149 CA GLU A 149 264.248 255.353 251.768 1.00 0.00 C +ATOM 150 CA GLU A 150 261.986 257.161 249.293 1.00 0.00 C +ATOM 151 CA GLY A 151 258.244 257.608 249.850 1.00 0.00 C +ATOM 152 CA GLY A 152 256.122 259.890 247.658 1.00 0.00 C +ATOM 153 CA VAL A 153 255.990 263.539 248.749 1.00 0.00 C +ATOM 154 CA GLY A 154 257.504 267.016 248.383 1.00 0.00 C +ATOM 155 CA GLU A 155 256.976 270.531 247.012 1.00 0.00 C +ATOM 156 CA GLY A 156 255.110 273.281 245.149 1.00 0.00 C +ATOM 157 CA LYS A 157 255.078 276.718 246.794 1.00 0.00 C +ATOM 158 CA GLY A 158 258.227 278.822 247.212 1.00 0.00 C +ATOM 159 CA ASP A 159 261.834 279.146 246.029 1.00 0.00 C +ATOM 160 CA VAL A 160 263.159 280.792 242.858 1.00 0.00 C +ATOM 161 CA VAL A 161 265.443 281.241 239.842 1.00 0.00 C +ATOM 162 CA GLN A 162 268.053 280.447 237.182 1.00 0.00 C +ATOM 163 CA LYS A 163 269.634 283.362 235.308 1.00 0.00 C +ATOM 164 CA LYS A 164 270.781 286.994 235.435 1.00 0.00 C +ATOM 165 CA GLU A 165 272.350 288.330 232.231 1.00 0.00 C +ATOM 166 CA LYS A 166 273.166 288.823 228.542 1.00 0.00 C +ATOM 167 CA PHE A 167 271.842 291.421 226.090 1.00 0.00 C +ATOM 168 CA LYS A 168 274.556 293.828 224.925 1.00 0.00 C +ATOM 169 CA PRO A 169 275.542 292.900 221.364 1.00 0.00 C +ATOM 170 CA ASN A 170 272.545 292.589 219.032 1.00 0.00 C +ATOM 171 CA VAL A 171 270.529 289.357 218.965 1.00 0.00 C +ATOM 172 CA ALA A 172 269.791 288.293 215.382 1.00 0.00 C +ATOM 173 CA VAL A 173 269.550 290.053 212.012 1.00 0.00 C +ATOM 174 CA GLN A 174 268.086 288.952 208.671 1.00 0.00 C +ATOM 175 CA ARG A 175 266.608 285.463 208.275 1.00 0.00 C +ATOM 176 CA ASN A 176 265.683 282.127 206.683 1.00 0.00 C +ATOM 177 CA GLY A 177 263.112 281.990 203.876 1.00 0.00 C +ATOM 178 CA GLN A 178 259.369 281.369 204.224 1.00 0.00 C +ATOM 179 CA ASN A 179 255.655 282.155 204.556 1.00 0.00 C +ATOM 180 CA GLY A 180 254.757 282.907 208.182 1.00 0.00 C +ATOM 181 CA GLU A 181 254.408 286.614 208.990 1.00 0.00 C +ATOM 182 CA ALA A 182 253.244 289.837 207.324 1.00 0.00 C +ATOM 183 CA GLU A 183 251.655 293.299 207.288 1.00 0.00 C +ATOM 184 CA VAL A 184 249.557 296.443 207.768 1.00 0.00 C +ATOM 185 CA GLY A 185 247.948 299.215 209.829 1.00 0.00 C +ATOM 186 CA PRO A 186 244.640 299.053 211.711 1.00 0.00 C +ATOM 187 CA ALA A 187 243.205 302.400 212.831 1.00 0.00 C +ATOM 188 CA VAL A 188 246.011 304.900 213.461 1.00 0.00 C +ATOM 189 CA GLU A 189 248.823 306.409 211.379 1.00 0.00 C +ATOM 190 CA GLU A 190 252.124 306.568 209.484 1.00 0.00 C +ATOM 191 CA GLN A 191 255.704 305.508 210.246 1.00 0.00 C +ATOM 192 CA GLY A 192 257.555 302.205 209.820 1.00 0.00 C +ATOM 193 CA ILE A 193 258.689 299.151 211.794 1.00 0.00 C +ATOM 194 CA VAL A 194 257.058 298.702 215.208 1.00 0.00 C +ATOM 195 CA PHE A 195 256.940 295.838 217.717 1.00 0.00 C +ATOM 196 CA LEU A 196 256.393 295.964 221.486 1.00 0.00 C +ATOM 197 CA ASP A 197 256.267 298.814 224.010 1.00 0.00 C +ATOM 198 CA GLU A 198 255.927 299.560 227.731 1.00 0.00 C +ATOM 199 CA ASP A 199 257.948 302.028 229.815 1.00 0.00 C +TER 200 ASP A 199 +END diff --git a/Fungi/A0A4T0HYP0/A0A4T0HYP0.dcd b/Fungi/A0A4T0HYP0/A0A4T0HYP0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..37f514c8f15d30db2e0848a3b462edf05fe88bb0 --- /dev/null +++ b/Fungi/A0A4T0HYP0/A0A4T0HYP0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bd75dacd642264a6e208413999e1e9b23726145bc846010c087bf81ddd5376a3 +size 42960276 diff --git a/Fungi/A0A4T0HYP0/top.pdb b/Fungi/A0A4T0HYP0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5ce80407da2243c29bf6ffb0f1ed5945ed7e9283 --- /dev/null +++ b/Fungi/A0A4T0HYP0/top.pdb @@ -0,0 +1,236 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLY A 1 229.599 262.315 201.874 1.00 0.00 C +ATOM 2 CA GLU A 2 227.783 261.928 205.201 1.00 0.00 C +ATOM 3 CA TRP A 3 228.882 264.112 208.122 1.00 0.00 C +ATOM 4 CA ASN A 4 232.337 264.608 209.650 1.00 0.00 C +ATOM 5 CA TYR A 5 232.543 267.551 212.062 1.00 0.00 C +ATOM 6 CA GLY A 6 233.049 270.457 214.473 1.00 0.00 C +ATOM 7 CA THR A 7 229.913 271.634 216.288 1.00 0.00 C +ATOM 8 CA THR A 8 230.613 274.016 219.178 1.00 0.00 C +ATOM 9 CA LYS A 9 231.531 277.682 218.692 1.00 0.00 C +ATOM 10 CA ASP A 10 228.276 279.638 218.386 1.00 0.00 C +ATOM 11 CA SER A 11 225.430 277.627 219.925 1.00 0.00 C +ATOM 12 CA ALA A 12 222.004 277.326 221.565 1.00 0.00 C +ATOM 13 CA ALA A 13 221.507 277.306 225.342 1.00 0.00 C +ATOM 14 CA SER A 14 218.950 279.781 226.703 1.00 0.00 C +ATOM 15 CA ALA A 15 220.487 281.302 229.839 1.00 0.00 C +ATOM 16 CA GLY A 16 219.324 280.019 233.233 1.00 0.00 C +ATOM 17 CA GLU A 17 219.946 276.332 233.969 1.00 0.00 C +ATOM 18 CA ASN A 18 219.337 274.337 230.781 1.00 0.00 C +ATOM 19 CA ASP A 19 215.961 273.012 229.615 1.00 0.00 C +ATOM 20 CA HIS A 20 213.449 273.645 232.410 1.00 0.00 C +ATOM 21 CA SER A 21 209.726 274.316 231.963 1.00 0.00 C +ATOM 22 CA GLU A 22 205.959 274.488 231.416 1.00 0.00 C +ATOM 23 CA GLY A 23 204.089 275.507 234.575 1.00 0.00 C +ATOM 24 CA ASP A 24 202.596 277.623 237.369 1.00 0.00 C +ATOM 25 CA LEU A 25 202.461 281.314 238.304 1.00 0.00 C +ATOM 26 CA LEU A 26 203.929 284.553 239.672 1.00 0.00 C +ATOM 27 CA LYS A 27 207.686 284.496 240.299 1.00 0.00 C +ATOM 28 CA ARG A 28 211.102 284.607 241.982 1.00 0.00 C +ATOM 29 CA ALA A 29 212.136 288.248 242.419 1.00 0.00 C +ATOM 30 CA GLY A 30 212.996 289.890 245.748 1.00 0.00 C +ATOM 31 CA LYS A 31 214.991 292.564 247.588 1.00 0.00 C +ATOM 32 CA GLY A 32 217.317 292.354 250.598 1.00 0.00 C +ATOM 33 CA ALA A 33 220.802 291.854 249.142 1.00 0.00 C +ATOM 34 CA GLY A 34 223.178 289.909 246.887 1.00 0.00 C +ATOM 35 CA SER A 35 226.294 289.234 244.801 1.00 0.00 C +ATOM 36 CA GLY A 36 226.097 290.720 241.299 1.00 0.00 C +ATOM 37 CA GLU A 37 222.512 291.960 240.949 1.00 0.00 C +ATOM 38 CA TRP A 38 220.883 290.722 237.734 1.00 0.00 C +ATOM 39 CA ALA A 39 220.075 287.065 238.433 1.00 0.00 C +ATOM 40 CA ASN A 40 222.158 283.958 239.155 1.00 0.00 C +ATOM 41 CA GLY A 41 225.328 283.506 241.220 1.00 0.00 C +ATOM 42 CA ALA A 42 228.929 282.335 240.797 1.00 0.00 C +ATOM 43 CA THR A 43 232.696 281.767 240.826 1.00 0.00 C +ATOM 44 CA LYS A 44 234.129 279.208 243.258 1.00 0.00 C +ATOM 45 CA ASP A 45 237.237 278.631 245.385 1.00 0.00 C +ATOM 46 CA THR A 46 238.827 278.152 248.814 1.00 0.00 C +ATOM 47 CA ALA A 47 240.699 278.574 252.105 1.00 0.00 C +ATOM 48 CA ALA A 48 241.738 282.206 252.606 1.00 0.00 C +ATOM 49 CA THR A 49 245.066 284.011 253.025 1.00 0.00 C +ATOM 50 CA SER A 50 247.020 284.366 249.773 1.00 0.00 C +ATOM 51 CA GLY A 51 248.022 288.029 249.458 1.00 0.00 C +ATOM 52 CA SER A 52 249.742 290.801 251.425 1.00 0.00 C +ATOM 53 CA TRP A 53 248.288 293.567 253.604 1.00 0.00 C +ATOM 54 CA ASP A 54 247.612 296.557 251.341 1.00 0.00 C +ATOM 55 CA SER A 55 248.600 298.653 248.317 1.00 0.00 C +ATOM 56 CA SER A 56 247.077 297.398 245.058 1.00 0.00 C +ATOM 57 CA GLU A 57 245.490 293.951 245.402 1.00 0.00 C +ATOM 58 CA GLY A 58 241.957 294.150 243.989 1.00 0.00 C +ATOM 59 CA ASP A 59 239.262 292.149 245.792 1.00 0.00 C +ATOM 60 CA LEU A 60 240.698 288.735 246.684 1.00 0.00 C +ATOM 61 CA LEU A 61 239.685 285.142 247.448 1.00 0.00 C +ATOM 62 CA LYS A 62 235.979 284.315 247.761 1.00 0.00 C +ATOM 63 CA ARG A 63 234.405 285.065 251.149 1.00 0.00 C +ATOM 64 CA GLN A 64 231.643 286.491 253.352 1.00 0.00 C +ATOM 65 CA ALA A 65 228.468 286.765 255.440 1.00 0.00 C +ATOM 66 CA HIS A 66 225.863 289.477 254.823 1.00 0.00 C +ATOM 67 CA GLY A 67 222.796 290.692 256.729 1.00 0.00 C +ATOM 68 CA MET A 68 220.775 293.920 256.824 1.00 0.00 C +ATOM 69 CA GLY A 69 220.463 295.825 260.109 1.00 0.00 C +ATOM 70 CA GLY A 70 223.907 296.338 261.657 1.00 0.00 C +ATOM 71 CA LYS A 71 223.515 299.328 263.985 1.00 0.00 C +ATOM 72 CA GLY A 72 223.138 300.631 267.546 1.00 0.00 C +ATOM 73 CA LYS A 73 220.525 299.625 270.129 1.00 0.00 C +ATOM 74 CA MET A 74 221.894 299.610 273.685 1.00 0.00 C +ATOM 75 CA GLY A 75 225.649 299.237 274.214 1.00 0.00 C +ATOM 76 CA GLY A 76 227.066 295.721 273.836 1.00 0.00 C +ATOM 77 CA LYS A 77 225.229 293.584 271.272 1.00 0.00 C +ATOM 78 CA GLY A 78 222.707 291.864 268.992 1.00 0.00 C +ATOM 79 CA THR A 79 219.540 290.561 267.323 1.00 0.00 C +ATOM 80 CA SER A 80 216.834 290.072 264.685 1.00 0.00 C +ATOM 81 CA GLY A 81 213.258 288.986 263.948 1.00 0.00 C +ATOM 82 CA ASP A 82 209.850 287.534 264.840 1.00 0.00 C +ATOM 83 CA TRP A 83 210.419 285.246 267.833 1.00 0.00 C +ATOM 84 CA ALA A 84 211.111 281.808 266.343 1.00 0.00 C +ATOM 85 CA THR A 85 210.443 278.102 266.921 1.00 0.00 C +ATOM 86 CA GLY A 86 213.246 275.696 265.989 1.00 0.00 C +ATOM 87 CA ALA A 87 216.913 274.703 265.701 1.00 0.00 C +ATOM 88 CA THR A 88 220.645 275.433 265.458 1.00 0.00 C +ATOM 89 CA LYS A 89 222.838 276.325 262.473 1.00 0.00 C +ATOM 90 CA ASP A 90 222.919 273.326 260.123 1.00 0.00 C +ATOM 91 CA THR A 91 225.036 271.010 257.962 1.00 0.00 C +ATOM 92 CA SER A 92 225.157 267.244 258.528 1.00 0.00 C +ATOM 93 CA ALA A 93 223.105 266.201 261.564 1.00 0.00 C +ATOM 94 CA GLY A 94 220.567 266.215 264.405 1.00 0.00 C +ATOM 95 CA SER A 95 218.910 263.628 266.659 1.00 0.00 C +ATOM 96 CA GLY A 96 216.426 260.757 266.338 1.00 0.00 C +ATOM 97 CA SER A 97 215.720 259.120 262.971 1.00 0.00 C +ATOM 98 CA TRP A 98 215.454 257.452 259.555 1.00 0.00 C +ATOM 99 CA ASP A 99 218.283 255.028 258.757 1.00 0.00 C +ATOM 100 CA SER A 100 218.526 251.228 258.622 1.00 0.00 C +ATOM 101 CA SER A 101 218.141 249.294 255.362 1.00 0.00 C +ATOM 102 CA GLU A 102 217.373 246.336 253.087 1.00 0.00 C +ATOM 103 CA GLY A 103 215.954 243.237 254.790 1.00 0.00 C +ATOM 104 CA ASP A 104 218.543 240.817 256.189 1.00 0.00 C +ATOM 105 CA LEU A 105 222.052 240.448 257.627 1.00 0.00 C +ATOM 106 CA LEU A 106 224.862 238.527 255.915 1.00 0.00 C +ATOM 107 CA LYS A 107 228.616 239.153 256.085 1.00 0.00 C +ATOM 108 CA ARG A 108 229.824 241.845 253.674 1.00 0.00 C +ATOM 109 CA GLY A 109 228.127 242.837 250.411 1.00 0.00 C +ATOM 110 CA GLN A 110 224.601 244.181 249.886 1.00 0.00 C +ATOM 111 CA PHE A 111 222.026 241.666 248.637 1.00 0.00 C +ATOM 112 CA TYR A 112 219.614 238.999 249.896 1.00 0.00 C +ATOM 113 CA GLN A 113 219.632 235.768 251.915 1.00 0.00 C +ATOM 114 CA GLY A 114 216.441 233.691 252.040 1.00 0.00 C +ATOM 115 CA GLY A 115 214.360 234.957 249.110 1.00 0.00 C +ATOM 116 CA LYS A 116 210.590 235.190 248.613 1.00 0.00 C +ATOM 117 CA ARG A 117 209.266 238.618 249.619 1.00 0.00 C +ATOM 118 CA GLY A 118 211.038 241.962 249.176 1.00 0.00 C +ATOM 119 CA LEU A 119 210.388 245.708 248.923 1.00 0.00 C +ATOM 120 CA THR A 120 209.493 248.500 251.356 1.00 0.00 C +ATOM 121 CA ALA A 121 209.362 247.896 255.115 1.00 0.00 C +ATOM 122 CA ARG A 122 212.152 249.414 257.219 1.00 0.00 C +ATOM 123 CA GLU A 123 212.152 250.794 260.771 1.00 0.00 C +ATOM 124 CA GLY A 124 213.380 249.745 264.222 1.00 0.00 C +ATOM 125 CA GLY A 125 216.527 251.776 264.918 1.00 0.00 C +ATOM 126 CA LYS A 126 219.344 249.601 266.279 1.00 0.00 C +ATOM 127 CA GLY A 127 220.855 247.359 263.595 1.00 0.00 C +ATOM 128 CA THR A 128 223.126 244.866 261.822 1.00 0.00 C +ATOM 129 CA SER A 129 226.685 243.644 261.221 1.00 0.00 C +ATOM 130 CA GLY A 130 229.031 244.642 264.052 1.00 0.00 C +ATOM 131 CA ASP A 131 230.631 242.924 267.052 1.00 0.00 C +ATOM 132 CA TRP A 132 231.654 245.667 269.492 1.00 0.00 C +ATOM 133 CA ALA A 133 233.805 248.741 268.829 1.00 0.00 C +ATOM 134 CA THR A 134 237.151 250.033 267.547 1.00 0.00 C +ATOM 135 CA GLY A 135 239.737 247.271 267.999 1.00 0.00 C +ATOM 136 CA ALA A 136 241.071 243.737 267.507 1.00 0.00 C +ATOM 137 CA THR A 137 240.267 240.122 268.404 1.00 0.00 C +ATOM 138 CA LYS A 138 239.996 238.299 271.738 1.00 0.00 C +ATOM 139 CA ASP A 139 237.868 236.635 274.425 1.00 0.00 C +ATOM 140 CA THR A 140 239.522 234.554 277.155 1.00 0.00 C +ATOM 141 CA SER A 141 243.327 234.660 277.331 1.00 0.00 C +ATOM 142 CA ALA A 142 246.797 235.558 278.622 1.00 0.00 C +ATOM 143 CA GLY A 143 250.297 237.039 278.891 1.00 0.00 C +ATOM 144 CA SER A 144 253.120 234.702 279.932 1.00 0.00 C +ATOM 145 CA GLY A 145 256.574 233.909 281.331 1.00 0.00 C +ATOM 146 CA SER A 146 258.565 237.157 281.305 1.00 0.00 C +ATOM 147 CA TRP A 147 258.640 240.884 280.515 1.00 0.00 C +ATOM 148 CA GLU A 148 257.756 241.654 276.890 1.00 0.00 C +ATOM 149 CA SER A 149 260.346 240.550 274.323 1.00 0.00 C +ATOM 150 CA SER A 150 263.955 240.659 273.105 1.00 0.00 C +ATOM 151 CA GLY A 151 266.285 243.004 274.999 1.00 0.00 C +ATOM 152 CA GLY A 152 269.982 243.507 275.770 1.00 0.00 C +ATOM 153 CA ASP A 153 272.420 241.086 274.123 1.00 0.00 C +ATOM 154 CA LEU A 154 276.009 240.017 274.825 1.00 0.00 C +ATOM 155 CA LEU A 155 277.653 238.978 271.549 1.00 0.00 C +ATOM 156 CA LYS A 156 276.313 236.266 269.233 1.00 0.00 C +ATOM 157 CA ARG A 157 273.076 234.757 270.559 1.00 0.00 C +ATOM 158 CA GLN A 158 270.810 232.406 272.523 1.00 0.00 C +ATOM 159 CA GLY A 159 267.846 234.530 273.628 1.00 0.00 C +ATOM 160 CA MET A 160 264.159 234.457 274.586 1.00 0.00 C +ATOM 161 CA MET A 161 262.148 231.565 273.134 1.00 0.00 C +ATOM 162 CA GLY A 162 259.507 229.380 271.470 1.00 0.00 C +ATOM 163 CA GLY A 163 260.709 228.840 267.895 1.00 0.00 C +ATOM 164 CA PRO A 164 259.738 231.042 264.941 1.00 0.00 C +ATOM 165 CA LYS A 165 262.191 230.495 262.078 1.00 0.00 C +ATOM 166 CA GLY A 166 264.469 231.870 259.351 1.00 0.00 C +ATOM 167 CA GLY A 167 267.518 230.991 257.242 1.00 0.00 C +ATOM 168 CA LYS A 168 270.518 231.334 259.566 1.00 0.00 C +ATOM 169 CA GLY A 169 273.701 230.246 261.355 1.00 0.00 C +ATOM 170 CA LYS A 170 277.049 228.463 261.708 1.00 0.00 C +ATOM 171 CA MET A 171 279.837 225.889 262.052 1.00 0.00 C +ATOM 172 CA GLY A 172 279.381 222.226 262.997 1.00 0.00 C +ATOM 173 CA GLY A 173 281.069 221.810 266.387 1.00 0.00 C +ATOM 174 CA LYS A 174 283.423 218.829 266.083 1.00 0.00 C +ATOM 175 CA GLY A 175 284.435 215.709 268.022 1.00 0.00 C +ATOM 176 CA THR A 176 282.961 212.241 267.463 1.00 0.00 C +ATOM 177 CA SER A 177 280.016 211.367 265.208 1.00 0.00 C +ATOM 178 CA GLY A 178 281.244 211.144 261.608 1.00 0.00 C +ATOM 179 CA ASP A 179 284.246 212.112 259.471 1.00 0.00 C +ATOM 180 CA TRP A 180 282.696 213.730 256.390 1.00 0.00 C +ATOM 181 CA ALA A 181 280.154 216.413 255.463 1.00 0.00 C +ATOM 182 CA THR A 182 279.748 217.001 251.721 1.00 0.00 C +ATOM 183 CA GLY A 183 277.049 218.281 249.355 1.00 0.00 C +ATOM 184 CA ALA A 184 278.091 221.754 248.186 1.00 0.00 C +ATOM 185 CA THR A 185 281.858 221.795 247.615 1.00 0.00 C +ATOM 186 CA LYS A 186 284.325 222.853 250.319 1.00 0.00 C +ATOM 187 CA ASP A 187 287.319 225.073 251.110 1.00 0.00 C +ATOM 188 CA THR A 188 290.846 226.128 252.092 1.00 0.00 C +ATOM 189 CA SER A 189 293.953 224.106 251.213 1.00 0.00 C +ATOM 190 CA ALA A 190 294.935 224.548 247.558 1.00 0.00 C +ATOM 191 CA GLY A 191 292.485 223.273 244.933 1.00 0.00 C +ATOM 192 CA SER A 192 288.811 224.238 245.221 1.00 0.00 C +ATOM 193 CA GLY A 193 286.973 221.724 243.025 1.00 0.00 C +ATOM 194 CA SER A 194 287.008 219.699 239.798 1.00 0.00 C +ATOM 195 CA TRP A 195 290.311 217.814 239.565 1.00 0.00 C +ATOM 196 CA ASP A 196 290.719 214.606 241.580 1.00 0.00 C +ATOM 197 CA SER A 197 290.677 211.184 239.905 1.00 0.00 C +ATOM 198 CA SER A 198 292.735 208.031 240.487 1.00 0.00 C +ATOM 199 CA GLU A 199 291.990 204.490 239.296 1.00 0.00 C +ATOM 200 CA GLY A 200 293.108 202.450 236.279 1.00 0.00 C +ATOM 201 CA ASP A 201 291.758 203.716 232.949 1.00 0.00 C +ATOM 202 CA LEU A 202 291.064 202.181 229.531 1.00 0.00 C +ATOM 203 CA LEU A 203 293.280 203.760 226.864 1.00 0.00 C +ATOM 204 CA LYS A 204 294.442 202.339 223.526 1.00 0.00 C +ATOM 205 CA ARG A 205 296.751 203.749 220.843 1.00 0.00 C +ATOM 206 CA GLY A 206 299.956 204.839 222.593 1.00 0.00 C +ATOM 207 CA GLN A 207 302.036 202.012 224.074 1.00 0.00 C +ATOM 208 CA PHE A 208 302.614 198.486 225.397 1.00 0.00 C +ATOM 209 CA TYR A 209 304.801 196.805 222.770 1.00 0.00 C +ATOM 210 CA GLN A 210 305.272 194.352 219.892 1.00 0.00 C +ATOM 211 CA GLY A 211 304.393 194.817 216.214 1.00 0.00 C +ATOM 212 CA GLY A 212 306.800 196.991 214.214 1.00 0.00 C +ATOM 213 CA LYS A 213 309.875 197.803 216.311 1.00 0.00 C +ATOM 214 CA ARG A 214 311.973 200.983 216.405 1.00 0.00 C +ATOM 215 CA GLY A 215 315.032 202.907 217.610 1.00 0.00 C +ATOM 216 CA MET A 216 317.557 202.782 220.460 1.00 0.00 C +ATOM 217 CA MET A 217 318.182 204.363 223.870 1.00 0.00 C +ATOM 218 CA ALA A 218 319.883 207.691 223.131 1.00 0.00 C +ATOM 219 CA ARG A 219 323.355 207.891 221.576 1.00 0.00 C +ATOM 220 CA GLU A 220 327.083 208.447 222.134 1.00 0.00 C +ATOM 221 CA GLY A 221 328.401 210.169 225.267 1.00 0.00 C +ATOM 222 CA GLY A 222 326.053 212.113 227.553 1.00 0.00 C +ATOM 223 CA LYS A 223 324.764 210.502 230.756 1.00 0.00 C +ATOM 224 CA GLY A 224 323.207 207.492 232.496 1.00 0.00 C +ATOM 225 CA THR A 225 325.006 205.878 235.442 1.00 0.00 C +ATOM 226 CA SER A 226 326.885 202.610 235.999 1.00 0.00 C +ATOM 227 CA GLY A 227 330.570 201.649 236.113 1.00 0.00 C +ATOM 228 CA ASP A 228 332.396 203.109 239.122 1.00 0.00 C +ATOM 229 CA TRP A 229 335.915 201.855 239.869 1.00 0.00 C +ATOM 230 CA ALA A 230 338.038 198.771 239.162 1.00 0.00 C +ATOM 231 CA THR A 231 340.279 197.548 236.333 1.00 0.00 C +ATOM 232 CA GLY A 232 338.009 195.349 234.206 1.00 0.00 C +TER 233 GLY A 232 +END diff --git a/Fungi/A0A4U0V3P5/A0A4U0V3P5.dcd b/Fungi/A0A4U0V3P5/A0A4U0V3P5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..89505384c6bac977b7f1b4ec0a56158c91e019c8 --- /dev/null +++ b/Fungi/A0A4U0V3P5/A0A4U0V3P5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:59e21cf9f9d16b79a26ea33b3c856eb2711732b5ff95d1abdc27a2f0a6500428 +size 10880276 diff --git a/Fungi/A0A4U0V3P5/top.pdb b/Fungi/A0A4U0V3P5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2196ef20fc56a42d7f62411df1f080766d59b7c7 --- /dev/null +++ b/Fungi/A0A4U0V3P5/top.pdb @@ -0,0 +1,88 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 276.747 274.470 252.492 1.00 0.00 C +ATOM 2 CA SER A 2 274.336 276.303 254.804 1.00 0.00 C +ATOM 3 CA GLY A 3 271.450 277.907 256.706 1.00 0.00 C +ATOM 4 CA THR A 4 270.961 276.061 260.003 1.00 0.00 C +ATOM 5 CA GLY A 5 271.333 278.387 262.998 1.00 0.00 C +ATOM 6 CA SER A 6 274.668 280.195 263.353 1.00 0.00 C +ATOM 7 CA GLN A 7 274.841 283.970 263.839 1.00 0.00 C +ATOM 8 CA PRO A 8 272.674 287.016 263.106 1.00 0.00 C +ATOM 9 CA ASN A 9 269.546 288.869 264.244 1.00 0.00 C +ATOM 10 CA ALA A 10 266.235 288.665 262.370 1.00 0.00 C +ATOM 11 CA TRP A 11 262.648 288.102 263.528 1.00 0.00 C +ATOM 12 CA GLN A 12 259.402 286.113 263.386 1.00 0.00 C +ATOM 13 CA ALA A 13 259.542 283.441 260.674 1.00 0.00 C +ATOM 14 CA ALA A 14 262.861 281.581 260.882 1.00 0.00 C +ATOM 15 CA LYS A 15 265.767 279.311 259.924 1.00 0.00 C +ATOM 16 CA VAL A 16 264.434 276.070 258.428 1.00 0.00 C +ATOM 17 CA LEU A 17 263.101 273.548 255.902 1.00 0.00 C +ATOM 18 CA ARG A 18 262.828 270.278 253.966 1.00 0.00 C +ATOM 19 CA PRO A 19 260.561 268.138 251.776 1.00 0.00 C +ATOM 20 CA SER A 20 257.488 267.716 249.563 1.00 0.00 C +ATOM 21 CA ASN A 21 254.348 265.768 248.636 1.00 0.00 C +ATOM 22 CA SER A 22 251.744 264.340 251.023 1.00 0.00 C +ATOM 23 CA ALA A 23 249.080 262.343 249.170 1.00 0.00 C +ATOM 24 CA SER A 24 246.782 259.380 248.499 1.00 0.00 C +ATOM 25 CA ARG A 25 243.649 258.361 246.586 1.00 0.00 C +ATOM 26 CA THR A 26 244.609 255.861 243.876 1.00 0.00 C +ATOM 27 CA PRO A 27 247.770 256.273 241.790 1.00 0.00 C +ATOM 28 CA GLN A 28 251.311 256.180 243.194 1.00 0.00 C +ATOM 29 CA ASN A 29 253.437 259.273 243.849 1.00 0.00 C +ATOM 30 CA ARG A 30 252.532 261.701 241.056 1.00 0.00 C +ATOM 31 CA SER A 31 253.076 264.305 238.329 1.00 0.00 C +ATOM 32 CA GLY A 32 256.270 266.375 238.485 1.00 0.00 C +ATOM 33 CA THR A 33 259.498 264.360 238.297 1.00 0.00 C +ATOM 34 CA ALA A 34 259.659 260.578 238.732 1.00 0.00 C +ATOM 35 CA SER A 35 262.804 259.895 240.772 1.00 0.00 C +ATOM 36 CA PRO A 36 264.845 259.026 243.869 1.00 0.00 C +ATOM 37 CA SER A 37 264.156 255.644 245.484 1.00 0.00 C +ATOM 38 CA PRO A 38 262.479 252.435 244.299 1.00 0.00 C +ATOM 39 CA GLN A 39 261.323 249.016 243.078 1.00 0.00 C +ATOM 40 CA THR A 40 262.782 245.573 242.347 1.00 0.00 C +ATOM 41 CA GLN A 41 266.145 244.341 241.050 1.00 0.00 C +ATOM 42 CA THR A 42 266.873 240.820 242.310 1.00 0.00 C +ATOM 43 CA THR A 43 267.966 237.624 244.072 1.00 0.00 C +ATOM 44 CA GLN A 44 270.940 237.701 246.452 1.00 0.00 C +ATOM 45 CA SER A 45 270.980 234.865 248.996 1.00 0.00 C +ATOM 46 CA PRO A 46 270.963 231.093 249.529 1.00 0.00 C +ATOM 47 CA ARG A 47 270.035 228.440 252.101 1.00 0.00 C +ATOM 48 CA GLN A 48 268.568 227.611 255.518 1.00 0.00 C +ATOM 49 CA ASP A 49 265.651 230.005 256.043 1.00 0.00 C +ATOM 50 CA GLY A 50 262.081 229.625 257.318 1.00 0.00 C +ATOM 51 CA GLY A 51 258.489 230.824 257.736 1.00 0.00 C +ATOM 52 CA ARG A 52 256.589 231.656 260.933 1.00 0.00 C +ATOM 53 CA GLN A 53 254.398 229.013 262.585 1.00 0.00 C +ATOM 54 CA GLN A 54 250.916 230.304 263.435 1.00 0.00 C +ATOM 55 CA GLN A 55 248.741 233.250 262.383 1.00 0.00 C +ATOM 56 CA GLN A 56 246.569 232.162 259.448 1.00 0.00 C +ATOM 57 CA GLN A 57 248.181 228.985 258.097 1.00 0.00 C +ATOM 58 CA GLN A 58 248.865 227.673 254.586 1.00 0.00 C +ATOM 59 CA GLN A 59 245.730 227.756 252.423 1.00 0.00 C +ATOM 60 CA ASN A 60 243.229 229.505 250.141 1.00 0.00 C +ATOM 61 CA ASN A 61 242.247 228.509 246.597 1.00 0.00 C +ATOM 62 CA SER A 62 239.397 230.635 245.228 1.00 0.00 C +ATOM 63 CA MET A 63 238.666 229.665 241.617 1.00 0.00 C +ATOM 64 CA PRO A 64 235.490 227.766 240.709 1.00 0.00 C +ATOM 65 CA GLY A 65 233.652 227.831 237.372 1.00 0.00 C +ATOM 66 CA GLY A 66 231.511 230.982 237.367 1.00 0.00 C +ATOM 67 CA SER A 67 228.179 232.046 235.856 1.00 0.00 C +ATOM 68 CA ASN A 68 225.298 232.239 238.341 1.00 0.00 C +ATOM 69 CA GLY A 69 224.542 234.861 241.001 1.00 0.00 C +ATOM 70 CA GLN A 70 221.162 235.299 242.704 1.00 0.00 C +ATOM 71 CA SER A 71 218.669 238.010 243.679 1.00 0.00 C +ATOM 72 CA SER A 72 214.928 238.443 243.099 1.00 0.00 C +ATOM 73 CA LYS A 73 211.482 237.343 244.293 1.00 0.00 C +ATOM 74 CA ALA A 74 209.484 234.585 246.002 1.00 0.00 C +ATOM 75 CA GLU A 75 210.227 230.903 245.361 1.00 0.00 C +ATOM 76 CA GLN A 76 212.065 228.352 247.512 1.00 0.00 C +ATOM 77 CA GLN A 77 214.459 230.414 249.641 1.00 0.00 C +ATOM 78 CA GLN A 78 214.573 234.199 249.222 1.00 0.00 C +ATOM 79 CA PRO A 79 218.134 235.554 249.209 1.00 0.00 C +ATOM 80 CA ASP A 80 220.616 236.946 251.743 1.00 0.00 C +ATOM 81 CA THR A 81 224.245 236.323 252.722 1.00 0.00 C +ATOM 82 CA GLN A 82 227.237 234.872 250.863 1.00 0.00 C +ATOM 83 CA ASP A 83 228.748 234.900 247.366 1.00 0.00 C +ATOM 84 CA GLU A 84 229.500 233.239 244.021 1.00 0.00 C +TER 85 GLU A 84 +END diff --git a/Fungi/A0A4U6WZP9/A0A4U6WZP9.dcd b/Fungi/A0A4U6WZP9/A0A4U6WZP9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f16fd8ae3a0252db2cbbbeca9048497bc9ccc3c6 --- /dev/null +++ b/Fungi/A0A4U6WZP9/A0A4U6WZP9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f7575fc3dcef65860161fed30f9f2573c27d9653518fb0d8181daa6373bafdd1 +size 5000276 diff --git a/Fungi/A0A4U6WZP9/top.pdb b/Fungi/A0A4U6WZP9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..09fd46aefa11b64240ca94de4b291a3829585da5 --- /dev/null +++ b/Fungi/A0A4U6WZP9/top.pdb @@ -0,0 +1,39 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 240.100 240.447 278.967 1.00 0.00 C +ATOM 2 CA SER A 2 243.013 242.799 278.259 1.00 0.00 C +ATOM 3 CA PRO A 3 246.222 241.594 276.597 1.00 0.00 C +ATOM 4 CA ALA A 4 249.596 242.986 275.502 1.00 0.00 C +ATOM 5 CA ILE A 5 250.787 242.787 271.888 1.00 0.00 C +ATOM 6 CA PHE A 6 251.187 239.317 270.367 1.00 0.00 C +ATOM 7 CA GLU A 7 252.692 236.714 268.026 1.00 0.00 C +ATOM 8 CA SER A 8 255.470 236.521 265.427 1.00 0.00 C +ATOM 9 CA HIS A 9 254.955 237.889 261.909 1.00 0.00 C +ATOM 10 CA ARG A 10 252.030 240.129 260.938 1.00 0.00 C +ATOM 11 CA ARG A 11 248.473 241.020 259.904 1.00 0.00 C +ATOM 12 CA THR A 12 246.899 242.358 256.703 1.00 0.00 C +ATOM 13 CA PRO A 13 247.622 245.707 255.036 1.00 0.00 C +ATOM 14 CA SER A 14 248.293 246.758 251.436 1.00 0.00 C +ATOM 15 CA ALA A 15 251.096 249.217 250.653 1.00 0.00 C +ATOM 16 CA GLN A 16 254.839 249.919 250.554 1.00 0.00 C +ATOM 17 CA ASP A 17 256.217 248.947 247.137 1.00 0.00 C +ATOM 18 CA PRO A 18 257.029 249.471 243.452 1.00 0.00 C +ATOM 19 CA GLU A 19 260.666 249.388 242.322 1.00 0.00 C +ATOM 20 CA ARG A 20 262.805 250.752 239.480 1.00 0.00 C +ATOM 21 CA ARG A 21 264.439 254.152 238.944 1.00 0.00 C +ATOM 22 CA LYS A 22 262.673 257.311 237.754 1.00 0.00 C +ATOM 23 CA SER A 23 259.223 257.599 236.163 1.00 0.00 C +ATOM 24 CA GLY A 24 256.728 254.989 237.379 1.00 0.00 C +ATOM 25 CA SER A 25 253.710 256.986 238.570 1.00 0.00 C +ATOM 26 CA GLY A 26 250.775 254.585 238.942 1.00 0.00 C +ATOM 27 CA PHE A 27 248.981 251.388 237.905 1.00 0.00 C +ATOM 28 CA LEU A 28 245.802 250.825 235.882 1.00 0.00 C +ATOM 29 CA PHE A 29 243.194 253.528 235.242 1.00 0.00 C +ATOM 30 CA LEU A 30 243.132 256.867 233.409 1.00 0.00 C +ATOM 31 CA ASN A 31 241.198 259.475 235.402 1.00 0.00 C +ATOM 32 CA ASN A 32 240.072 262.360 233.184 1.00 0.00 C +ATOM 33 CA ARG A 33 238.384 265.496 234.538 1.00 0.00 C +ATOM 34 CA PHE A 34 237.511 268.945 235.903 1.00 0.00 C +ATOM 35 CA LYS A 35 234.186 270.776 236.225 1.00 0.00 C +TER 36 LYS A 35 +END diff --git a/Fungi/A0A4V4HEF1/A0A4V4HEF1.dcd b/Fungi/A0A4V4HEF1/A0A4V4HEF1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..033c5491649cf2b5d6082164fcdff465d1a01170 --- /dev/null +++ b/Fungi/A0A4V4HEF1/A0A4V4HEF1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d43af0a38349e8794df6f0635a332cf8b013c5c0cf0cbd9731133b5a6377b641 +size 15920276 diff --git a/Fungi/A0A4V4HEF1/top.pdb b/Fungi/A0A4V4HEF1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..190ca67c32660f87d2ab051e0bf1f5690a9d9352 --- /dev/null +++ b/Fungi/A0A4V4HEF1/top.pdb @@ -0,0 +1,130 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 203.559 266.247 252.318 1.00 0.00 C +ATOM 2 CA LEU A 2 205.826 269.305 252.473 1.00 0.00 C +ATOM 3 CA LYS A 3 208.056 271.831 250.695 1.00 0.00 C +ATOM 4 CA ARG A 4 211.382 270.335 249.593 1.00 0.00 C +ATOM 5 CA LEU A 5 212.565 266.881 250.685 1.00 0.00 C +ATOM 6 CA LEU A 6 213.489 265.746 254.203 1.00 0.00 C +ATOM 7 CA VAL A 7 210.804 264.767 256.722 1.00 0.00 C +ATOM 8 CA GLU A 8 210.983 261.532 258.726 1.00 0.00 C +ATOM 9 CA GLU A 9 213.400 259.631 260.975 1.00 0.00 C +ATOM 10 CA VAL A 10 215.839 258.459 263.658 1.00 0.00 C +ATOM 11 CA ARG A 11 219.601 258.351 264.249 1.00 0.00 C +ATOM 12 CA GLU A 12 222.737 257.010 262.550 1.00 0.00 C +ATOM 13 CA GLY A 13 223.657 253.517 263.762 1.00 0.00 C +ATOM 14 CA GLY A 14 222.784 249.814 263.564 1.00 0.00 C +ATOM 15 CA ARG A 15 224.171 247.925 266.568 1.00 0.00 C +ATOM 16 CA ASP A 16 225.744 244.927 268.316 1.00 0.00 C +ATOM 17 CA ARG A 17 227.992 241.881 267.881 1.00 0.00 C +ATOM 18 CA GLY A 18 228.896 239.430 270.654 1.00 0.00 C +ATOM 19 CA ARG A 19 228.676 235.630 270.481 1.00 0.00 C +ATOM 20 CA GLY A 20 226.150 233.457 272.327 1.00 0.00 C +ATOM 21 CA LYS A 21 224.370 230.172 273.073 1.00 0.00 C +ATOM 22 CA ASP A 22 224.890 226.697 274.547 1.00 0.00 C +ATOM 23 CA ARG A 23 223.352 223.245 274.061 1.00 0.00 C +ATOM 24 CA GLY A 24 223.951 221.855 270.565 1.00 0.00 C +ATOM 25 CA ARG A 25 224.100 222.596 266.831 1.00 0.00 C +ATOM 26 CA GLY A 26 226.999 222.766 264.364 1.00 0.00 C +ATOM 27 CA GLY A 27 226.120 221.653 260.828 1.00 0.00 C +ATOM 28 CA ARG A 28 223.776 218.677 260.423 1.00 0.00 C +ATOM 29 CA GLY A 29 220.103 217.806 260.935 1.00 0.00 C +ATOM 30 CA ALA A 30 216.812 218.944 259.387 1.00 0.00 C +ATOM 31 CA VAL A 31 216.502 222.388 257.789 1.00 0.00 C +ATOM 32 CA ARG A 32 219.028 225.149 258.509 1.00 0.00 C +ATOM 33 CA GLY A 33 219.121 228.845 257.590 1.00 0.00 C +ATOM 34 CA GLY A 34 222.131 231.175 257.767 1.00 0.00 C +ATOM 35 CA ALA A 35 221.735 234.909 257.120 1.00 0.00 C +ATOM 36 CA GLN A 36 222.306 238.037 259.219 1.00 0.00 C +ATOM 37 CA ALA A 37 224.038 240.952 260.957 1.00 0.00 C +ATOM 38 CA MET A 38 227.745 240.384 261.629 1.00 0.00 C +ATOM 39 CA LYS A 39 228.743 236.908 262.828 1.00 0.00 C +ATOM 40 CA ALA A 40 231.665 236.021 265.106 1.00 0.00 C +ATOM 41 CA LEU A 41 234.853 237.929 265.950 1.00 0.00 C +ATOM 42 CA GLY A 42 234.887 239.558 269.394 1.00 0.00 C +ATOM 43 CA GLN A 43 236.686 242.677 270.639 1.00 0.00 C +ATOM 44 CA GLY A 44 236.977 245.859 272.715 1.00 0.00 C +ATOM 45 CA SER A 45 239.392 246.923 275.463 1.00 0.00 C +ATOM 46 CA GLU A 46 239.940 250.491 276.683 1.00 0.00 C +ATOM 47 CA ASN A 47 243.658 251.325 276.732 1.00 0.00 C +ATOM 48 CA ALA A 48 244.872 252.474 273.308 1.00 0.00 C +ATOM 49 CA ASN A 49 243.614 253.972 270.039 1.00 0.00 C +ATOM 50 CA SER A 50 245.600 255.358 267.097 1.00 0.00 C +ATOM 51 CA SER A 51 243.750 257.940 264.993 1.00 0.00 C +ATOM 52 CA SER A 52 242.084 260.379 262.586 1.00 0.00 C +ATOM 53 CA ASP A 53 241.667 263.988 263.732 1.00 0.00 C +ATOM 54 CA LYS A 54 244.335 266.691 264.035 1.00 0.00 C +ATOM 55 CA SER A 55 245.191 268.005 267.507 1.00 0.00 C +ATOM 56 CA SER A 56 248.353 270.095 267.115 1.00 0.00 C +ATOM 57 CA ASP A 57 251.169 267.855 268.369 1.00 0.00 C +ATOM 58 CA ASP A 58 254.014 265.326 268.203 1.00 0.00 C +ATOM 59 CA GLU A 59 256.803 263.077 269.496 1.00 0.00 C +ATOM 60 CA GLU A 60 258.801 260.451 267.591 1.00 0.00 C +ATOM 61 CA SER A 61 261.737 258.395 266.298 1.00 0.00 C +ATOM 62 CA GLN A 62 263.283 258.673 262.826 1.00 0.00 C +ATOM 63 CA ASP A 63 264.077 260.481 259.568 1.00 0.00 C +ATOM 64 CA ASN A 64 266.206 260.648 256.412 1.00 0.00 C +ATOM 65 CA GLU A 65 263.879 259.504 253.621 1.00 0.00 C +ATOM 66 CA LEU A 66 261.108 261.823 252.413 1.00 0.00 C +ATOM 67 CA ILE A 67 259.298 260.884 249.194 1.00 0.00 C +ATOM 68 CA GLN A 68 260.642 259.354 245.975 1.00 0.00 C +ATOM 69 CA SER A 69 261.144 258.763 242.245 1.00 0.00 C +ATOM 70 CA PHE A 70 263.688 258.478 239.423 1.00 0.00 C +ATOM 71 CA ASN A 71 264.759 261.424 237.259 1.00 0.00 C +ATOM 72 CA GLY A 72 265.644 262.871 233.847 1.00 0.00 C +ATOM 73 CA GLU A 73 264.063 265.695 231.836 1.00 0.00 C +ATOM 74 CA LEU A 74 261.193 267.802 233.192 1.00 0.00 C +ATOM 75 CA PRO A 75 257.551 268.322 234.185 1.00 0.00 C +ATOM 76 CA GLU A 76 255.684 266.785 237.129 1.00 0.00 C +ATOM 77 CA ILE A 77 255.898 268.739 240.392 1.00 0.00 C +ATOM 78 CA VAL A 78 257.985 271.884 240.913 1.00 0.00 C +ATOM 79 CA ASP A 79 261.735 271.759 241.578 1.00 0.00 C +ATOM 80 CA GLU A 80 264.682 273.036 239.529 1.00 0.00 C +ATOM 81 CA ASP A 81 267.991 274.414 238.237 1.00 0.00 C +ATOM 82 CA ASP A 82 269.709 276.838 235.852 1.00 0.00 C +ATOM 83 CA GLY A 83 272.493 276.678 233.256 1.00 0.00 C +ATOM 84 CA SER A 84 275.257 275.854 230.766 1.00 0.00 C +ATOM 85 CA THR A 85 277.430 277.373 228.030 1.00 0.00 C +ATOM 86 CA SER A 86 280.502 275.712 226.508 1.00 0.00 C +ATOM 87 CA ALA A 87 282.772 273.829 224.096 1.00 0.00 C +ATOM 88 CA ASP A 88 283.348 270.173 225.001 1.00 0.00 C +ATOM 89 CA SER A 89 282.262 266.980 226.773 1.00 0.00 C +ATOM 90 CA ASP A 90 278.891 265.769 228.071 1.00 0.00 C +ATOM 91 CA ARG A 91 277.228 266.609 231.395 1.00 0.00 C +ATOM 92 CA VAL A 92 275.904 269.999 232.524 1.00 0.00 C +ATOM 93 CA ASN A 93 274.541 270.760 235.999 1.00 0.00 C +ATOM 94 CA ASP A 94 275.169 269.729 239.613 1.00 0.00 C +ATOM 95 CA ASP A 95 273.594 266.314 240.226 1.00 0.00 C +ATOM 96 CA GLN A 96 271.802 264.943 243.295 1.00 0.00 C +ATOM 97 CA GLU A 97 273.372 262.763 245.997 1.00 0.00 C +ATOM 98 CA ASN A 98 273.089 258.969 246.183 1.00 0.00 C +ATOM 99 CA ASP A 99 270.197 257.668 244.070 1.00 0.00 C +ATOM 100 CA ASP A 100 267.267 255.552 245.276 1.00 0.00 C +ATOM 101 CA VAL A 101 265.195 253.248 243.059 1.00 0.00 C +ATOM 102 CA GLY A 102 263.336 250.740 240.875 1.00 0.00 C +ATOM 103 CA ILE A 103 260.900 250.537 237.952 1.00 0.00 C +ATOM 104 CA GLY A 104 261.963 248.642 234.823 1.00 0.00 C +ATOM 105 CA LYS A 105 265.666 249.251 234.162 1.00 0.00 C +ATOM 106 CA LYS A 106 268.726 249.952 232.004 1.00 0.00 C +ATOM 107 CA HIS A 107 269.992 247.096 229.822 1.00 0.00 C +ATOM 108 CA SER A 108 272.633 245.519 227.574 1.00 0.00 C +ATOM 109 CA ALA A 109 275.125 242.952 226.263 1.00 0.00 C +ATOM 110 CA PRO A 110 274.837 239.191 226.795 1.00 0.00 C +ATOM 111 CA LEU A 111 277.746 237.520 228.600 1.00 0.00 C +ATOM 112 CA SER A 112 278.964 235.089 231.269 1.00 0.00 C +ATOM 113 CA HIS A 113 276.040 233.230 232.853 1.00 0.00 C +ATOM 114 CA PRO A 114 277.597 230.283 234.699 1.00 0.00 C +ATOM 115 CA GLN A 115 277.646 227.064 236.736 1.00 0.00 C +ATOM 116 CA THR A 116 274.418 225.264 237.664 1.00 0.00 C +ATOM 117 CA HIS A 117 271.064 226.740 238.707 1.00 0.00 C +ATOM 118 CA CYS A 118 268.444 226.961 235.949 1.00 0.00 C +ATOM 119 CA GLN A 119 268.418 225.014 232.675 1.00 0.00 C +ATOM 120 CA LYS A 120 271.219 223.978 230.309 1.00 0.00 C +ATOM 121 CA ARG A 121 272.598 221.674 227.606 1.00 0.00 C +ATOM 122 CA ARG A 122 271.550 218.030 227.228 1.00 0.00 C +ATOM 123 CA ARG A 123 273.630 214.930 226.470 1.00 0.00 C +ATOM 124 CA SER A 124 274.120 211.348 227.674 1.00 0.00 C +ATOM 125 CA GLY A 125 271.812 209.046 225.701 1.00 0.00 C +ATOM 126 CA ARG A 126 268.844 208.232 227.946 1.00 0.00 C +TER 127 ARG A 126 +END diff --git a/Fungi/A0A4Y7SGK7/A0A4Y7SGK7.dcd b/Fungi/A0A4Y7SGK7/A0A4Y7SGK7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..84a40d98c220cc5c07b5054c8ca3a9a61d968fda --- /dev/null +++ b/Fungi/A0A4Y7SGK7/A0A4Y7SGK7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5cb5ca0db29177c71f2b4144823017f72a871c58cbe5bd959fc6bc4a2a67779c +size 44580276 diff --git a/Fungi/A0A4Y7SGK7/top.pdb b/Fungi/A0A4Y7SGK7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8b05cb34c2537cd961476120a8abaedacb79bacc --- /dev/null +++ b/Fungi/A0A4Y7SGK7/top.pdb @@ -0,0 +1,245 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 215.647 328.894 316.906 1.00 0.00 C +ATOM 2 CA ARG A 2 214.754 325.932 314.683 1.00 0.00 C +ATOM 3 CA GLY A 3 212.385 323.002 314.114 1.00 0.00 C +ATOM 4 CA GLY A 4 209.384 323.899 311.944 1.00 0.00 C +ATOM 5 CA SER A 5 207.434 327.171 311.865 1.00 0.00 C +ATOM 6 CA VAL A 6 208.887 330.573 312.776 1.00 0.00 C +ATOM 7 CA SER A 7 209.623 333.877 311.028 1.00 0.00 C +ATOM 8 CA PHE A 8 207.765 337.174 310.585 1.00 0.00 C +ATOM 9 CA GLY A 9 207.412 337.572 306.813 1.00 0.00 C +ATOM 10 CA SER A 10 207.692 338.556 303.143 1.00 0.00 C +ATOM 11 CA VAL A 11 211.071 337.574 301.682 1.00 0.00 C +ATOM 12 CA VAL A 12 214.135 336.283 299.821 1.00 0.00 C +ATOM 13 CA GLY A 13 214.173 332.677 298.592 1.00 0.00 C +ATOM 14 CA SER A 14 215.492 329.892 296.352 1.00 0.00 C +ATOM 15 CA LEU A 15 218.575 329.183 294.228 1.00 0.00 C +ATOM 16 CA GLY A 16 220.093 325.759 294.926 1.00 0.00 C +ATOM 17 CA GLY A 17 221.664 323.066 297.115 1.00 0.00 C +ATOM 18 CA LEU A 18 223.357 320.425 299.277 1.00 0.00 C +ATOM 19 CA GLY A 19 223.519 317.576 301.802 1.00 0.00 C +ATOM 20 CA GLU A 20 225.477 314.820 300.044 1.00 0.00 C +ATOM 21 CA GLU A 21 228.458 312.577 299.273 1.00 0.00 C +ATOM 22 CA ASP A 22 231.482 312.613 296.955 1.00 0.00 C +ATOM 23 CA GLU A 23 231.272 311.272 293.396 1.00 0.00 C +ATOM 24 CA ASP A 24 229.498 313.102 290.564 1.00 0.00 C +ATOM 25 CA GLU A 25 225.948 314.112 291.509 1.00 0.00 C +ATOM 26 CA GLY A 26 224.165 315.886 288.648 1.00 0.00 C +ATOM 27 CA GLU A 27 220.774 314.889 287.226 1.00 0.00 C +ATOM 28 CA GLU A 28 219.536 317.418 284.659 1.00 0.00 C +ATOM 29 CA ARG A 29 218.290 320.966 284.046 1.00 0.00 C +ATOM 30 CA ASP A 30 218.268 321.788 280.326 1.00 0.00 C +ATOM 31 CA GLU A 31 215.676 324.447 279.475 1.00 0.00 C +ATOM 32 CA GLY A 32 215.821 328.074 280.631 1.00 0.00 C +ATOM 33 CA ARG A 33 217.660 331.243 279.585 1.00 0.00 C +ATOM 34 CA GLU A 34 217.108 332.417 276.003 1.00 0.00 C +ATOM 35 CA GLY A 35 215.540 332.851 272.558 1.00 0.00 C +ATOM 36 CA GLY A 36 215.691 330.317 269.716 1.00 0.00 C +ATOM 37 CA ALA A 37 216.970 330.436 266.129 1.00 0.00 C +ATOM 38 CA GLY A 38 216.571 328.036 263.197 1.00 0.00 C +ATOM 39 CA GLY A 39 219.653 326.850 261.296 1.00 0.00 C +ATOM 40 CA ASP A 40 222.789 326.893 259.134 1.00 0.00 C +ATOM 41 CA GLU A 41 223.329 325.996 255.471 1.00 0.00 C +ATOM 42 CA GLU A 42 225.654 326.511 252.497 1.00 0.00 C +ATOM 43 CA ARG A 43 229.449 326.391 252.178 1.00 0.00 C +ATOM 44 CA ARG A 44 232.260 323.901 252.822 1.00 0.00 C +ATOM 45 CA GLU A 45 235.310 325.036 254.803 1.00 0.00 C +ATOM 46 CA GLY A 46 234.468 324.326 258.450 1.00 0.00 C +ATOM 47 CA ARG A 47 231.434 322.044 258.765 1.00 0.00 C +ATOM 48 CA GLU A 48 230.510 318.437 259.573 1.00 0.00 C +ATOM 49 CA GLY A 49 232.366 315.114 259.401 1.00 0.00 C +ATOM 50 CA GLY A 50 231.153 312.390 261.772 1.00 0.00 C +ATOM 51 CA GLY A 51 230.251 312.236 265.471 1.00 0.00 C +ATOM 52 CA GLY A 52 226.548 312.253 266.367 1.00 0.00 C +ATOM 53 CA ASP A 53 224.626 310.024 268.787 1.00 0.00 C +ATOM 54 CA ASP A 54 223.731 309.611 272.467 1.00 0.00 C +ATOM 55 CA ARG A 55 222.682 306.674 274.656 1.00 0.00 C +ATOM 56 CA GLU A 56 222.125 302.911 274.863 1.00 0.00 C +ATOM 57 CA GLY A 57 223.369 300.284 277.326 1.00 0.00 C +ATOM 58 CA ASP A 58 224.544 297.427 279.556 1.00 0.00 C +ATOM 59 CA GLY A 59 223.378 294.898 282.156 1.00 0.00 C +ATOM 60 CA GLY A 60 226.575 293.313 283.494 1.00 0.00 C +ATOM 61 CA GLY A 61 230.311 292.738 283.970 1.00 0.00 C +ATOM 62 CA TYR A 62 233.864 291.578 284.706 1.00 0.00 C +ATOM 63 CA GLY A 63 236.450 292.147 281.966 1.00 0.00 C +ATOM 64 CA ARG A 64 235.171 292.215 278.378 1.00 0.00 C +ATOM 65 CA GLY A 65 231.971 290.537 277.169 1.00 0.00 C +ATOM 66 CA ARG A 66 230.302 289.153 274.036 1.00 0.00 C +ATOM 67 CA GLY A 67 228.768 285.794 273.097 1.00 0.00 C +ATOM 68 CA GLU A 68 228.493 283.062 275.738 1.00 0.00 C +ATOM 69 CA VAL A 69 227.551 279.407 275.219 1.00 0.00 C +ATOM 70 CA ASP A 70 227.684 276.153 277.196 1.00 0.00 C +ATOM 71 CA PHE A 71 225.660 272.944 276.852 1.00 0.00 C +ATOM 72 CA GLY A 72 224.468 269.338 277.155 1.00 0.00 C +ATOM 73 CA ARG A 73 220.789 269.070 276.202 1.00 0.00 C +ATOM 74 CA ALA A 74 216.981 269.009 276.096 1.00 0.00 C +ATOM 75 CA LEU A 75 215.216 272.202 274.998 1.00 0.00 C +ATOM 76 CA ASP A 76 214.501 275.828 275.924 1.00 0.00 C +ATOM 77 CA ILE A 77 211.581 277.437 277.768 1.00 0.00 C +ATOM 78 CA GLU A 78 209.412 280.566 277.612 1.00 0.00 C +ATOM 79 CA ARG A 79 207.524 283.517 276.117 1.00 0.00 C +ATOM 80 CA GLU A 80 204.929 284.702 273.590 1.00 0.00 C +ATOM 81 CA LEU A 81 204.244 284.565 269.845 1.00 0.00 C +ATOM 82 CA GLU A 82 207.058 286.423 268.072 1.00 0.00 C +ATOM 83 CA ARG A 83 209.838 285.386 265.682 1.00 0.00 C +ATOM 84 CA GLU A 84 212.994 287.235 264.614 1.00 0.00 C +ATOM 85 CA LEU A 85 215.179 287.252 267.735 1.00 0.00 C +ATOM 86 CA ASP A 86 218.051 289.154 269.361 1.00 0.00 C +ATOM 87 CA GLN A 87 218.181 292.529 267.599 1.00 0.00 C +ATOM 88 CA LEU A 88 218.843 295.224 270.210 1.00 0.00 C +ATOM 89 CA GLY A 89 222.454 296.073 271.080 1.00 0.00 C +ATOM 90 CA PHE A 90 225.003 298.539 269.688 1.00 0.00 C +ATOM 91 CA GLY A 91 228.459 297.289 268.682 1.00 0.00 C +ATOM 92 CA ARG A 92 229.761 293.715 268.469 1.00 0.00 C +ATOM 93 CA GLU A 93 228.970 292.063 265.128 1.00 0.00 C +ATOM 94 CA ASP A 94 226.268 292.159 262.443 1.00 0.00 C +ATOM 95 CA GLU A 95 223.231 290.882 260.529 1.00 0.00 C +ATOM 96 CA GLU A 96 221.739 292.538 257.439 1.00 0.00 C +ATOM 97 CA GLU A 97 221.334 290.521 254.233 1.00 0.00 C +ATOM 98 CA GLU A 98 217.773 290.540 252.880 1.00 0.00 C +ATOM 99 CA ASP A 99 216.593 288.148 250.159 1.00 0.00 C +ATOM 100 CA ASP A 100 217.077 288.083 246.380 1.00 0.00 C +ATOM 101 CA THR A 101 216.297 286.428 243.039 1.00 0.00 C +ATOM 102 CA ALA A 102 217.332 288.169 239.811 1.00 0.00 C +ATOM 103 CA ARG A 103 218.671 289.364 236.451 1.00 0.00 C +ATOM 104 CA PHE A 104 221.158 291.582 234.605 1.00 0.00 C +ATOM 105 CA GLY A 105 220.544 293.513 231.379 1.00 0.00 C +ATOM 106 CA PHE A 106 222.439 294.597 228.256 1.00 0.00 C +ATOM 107 CA GLY A 107 226.162 294.594 227.445 1.00 0.00 C +ATOM 108 CA GLY A 108 226.979 294.679 223.725 1.00 0.00 C +ATOM 109 CA GLY A 109 224.043 295.075 221.329 1.00 0.00 C +ATOM 110 CA LEU A 110 222.548 296.988 218.392 1.00 0.00 C +ATOM 111 CA SER A 111 220.679 296.174 215.174 1.00 0.00 C +ATOM 112 CA ILE A 112 217.011 295.505 215.955 1.00 0.00 C +ATOM 113 CA GLU A 113 213.971 293.210 215.869 1.00 0.00 C +ATOM 114 CA ASP A 114 214.675 289.551 216.664 1.00 0.00 C +ATOM 115 CA ALA A 115 216.038 285.993 216.610 1.00 0.00 C +ATOM 116 CA LEU A 116 216.030 282.435 215.248 1.00 0.00 C +ATOM 117 CA ARG A 117 216.455 279.165 213.340 1.00 0.00 C +ATOM 118 CA ASP A 118 215.565 275.552 214.160 1.00 0.00 C +ATOM 119 CA VAL A 119 218.259 272.993 213.317 1.00 0.00 C +ATOM 120 CA ASP A 120 219.474 270.987 216.319 1.00 0.00 C +ATOM 121 CA ALA A 121 218.349 270.769 219.953 1.00 0.00 C +ATOM 122 CA TYR A 122 219.262 267.281 221.186 1.00 0.00 C +ATOM 123 CA TYR A 123 221.466 264.658 219.520 1.00 0.00 C +ATOM 124 CA PRO A 124 224.664 263.152 218.099 1.00 0.00 C +ATOM 125 CA PRO A 125 228.285 263.792 217.100 1.00 0.00 C +ATOM 126 CA SER A 126 232.025 263.631 217.811 1.00 0.00 C +ATOM 127 CA HIS A 127 232.991 267.178 218.810 1.00 0.00 C +ATOM 128 CA SER A 128 236.755 267.385 218.258 1.00 0.00 C +ATOM 129 CA HIS A 129 239.256 269.300 220.402 1.00 0.00 C +ATOM 130 CA SER A 130 242.167 267.123 221.544 1.00 0.00 C +ATOM 131 CA SER A 131 243.923 265.789 218.437 1.00 0.00 C +ATOM 132 CA SER A 132 244.592 263.025 215.902 1.00 0.00 C +ATOM 133 CA ASN A 133 247.414 262.486 213.399 1.00 0.00 C +ATOM 134 CA SER A 134 248.611 263.025 209.822 1.00 0.00 C +ATOM 135 CA THR A 135 252.325 263.150 208.983 1.00 0.00 C +ATOM 136 CA HIS A 136 253.764 265.703 211.418 1.00 0.00 C +ATOM 137 CA GLN A 137 256.608 265.044 213.866 1.00 0.00 C +ATOM 138 CA PRO A 138 256.478 262.352 216.558 1.00 0.00 C +ATOM 139 CA PHE A 139 255.148 259.821 219.076 1.00 0.00 C +ATOM 140 CA GLY A 140 253.742 256.386 219.938 1.00 0.00 C +ATOM 141 CA ALA A 141 251.879 254.707 217.070 1.00 0.00 C +ATOM 142 CA ASN A 142 249.881 251.561 216.280 1.00 0.00 C +ATOM 143 CA THR A 143 249.825 247.769 215.913 1.00 0.00 C +ATOM 144 CA THR A 144 248.537 245.455 213.174 1.00 0.00 C +ATOM 145 CA ASP A 145 245.969 245.084 210.384 1.00 0.00 C +ATOM 146 CA THR A 146 244.433 244.754 206.913 1.00 0.00 C +ATOM 147 CA ASP A 147 242.459 241.514 206.564 1.00 0.00 C +ATOM 148 CA PRO A 148 243.990 238.158 205.611 1.00 0.00 C +ATOM 149 CA ARG A 149 244.880 236.518 208.933 1.00 0.00 C +ATOM 150 CA SER A 150 245.031 236.791 212.730 1.00 0.00 C +ATOM 151 CA THR A 151 244.897 235.734 216.388 1.00 0.00 C +ATOM 152 CA SER A 152 243.809 234.727 219.898 1.00 0.00 C +ATOM 153 CA THR A 153 243.426 235.414 223.626 1.00 0.00 C +ATOM 154 CA PHE A 154 241.950 234.670 227.058 1.00 0.00 C +ATOM 155 CA ARG A 155 242.203 230.922 227.693 1.00 0.00 C +ATOM 156 CA SER A 156 242.852 227.851 229.852 1.00 0.00 C +ATOM 157 CA PRO A 157 242.869 224.058 229.493 1.00 0.00 C +ATOM 158 CA LEU A 158 241.152 220.850 230.623 1.00 0.00 C +ATOM 159 CA THR A 159 241.352 217.383 232.190 1.00 0.00 C +ATOM 160 CA THR A 160 242.285 214.157 230.389 1.00 0.00 C +ATOM 161 CA ARG A 161 242.954 211.283 227.979 1.00 0.00 C +ATOM 162 CA HIS A 162 243.710 207.755 229.204 1.00 0.00 C +ATOM 163 CA LEU A 163 244.027 204.025 229.914 1.00 0.00 C +ATOM 164 CA ILE A 164 247.418 203.679 231.617 1.00 0.00 C +ATOM 165 CA SER A 165 249.965 204.317 228.857 1.00 0.00 C +ATOM 166 CA THR A 166 249.857 203.722 225.095 1.00 0.00 C +ATOM 167 CA SER A 167 251.911 201.663 222.633 1.00 0.00 C +ATOM 168 CA THR A 168 253.273 198.394 221.229 1.00 0.00 C +ATOM 169 CA ASN A 169 256.981 198.119 220.397 1.00 0.00 C +ATOM 170 CA ARG A 170 260.564 198.491 219.156 1.00 0.00 C +ATOM 171 CA PRO A 171 262.982 196.828 221.586 1.00 0.00 C +ATOM 172 CA ARG A 172 263.620 197.336 225.308 1.00 0.00 C +ATOM 173 CA PRO A 173 265.225 194.260 226.883 1.00 0.00 C +ATOM 174 CA ARG A 174 266.486 190.665 226.854 1.00 0.00 C +ATOM 175 CA ARG A 175 269.782 188.755 226.933 1.00 0.00 C +ATOM 176 CA LEU A 176 270.713 185.060 226.908 1.00 0.00 C +ATOM 177 CA GLY A 177 270.071 181.306 227.002 1.00 0.00 C +ATOM 178 CA SER A 178 269.368 179.020 229.969 1.00 0.00 C +ATOM 179 CA PRO A 179 266.024 177.351 230.705 1.00 0.00 C +ATOM 180 CA THR A 180 266.696 174.220 232.769 1.00 0.00 C +ATOM 181 CA ARG A 181 266.722 170.515 233.658 1.00 0.00 C +ATOM 182 CA ARG A 182 270.125 169.484 235.026 1.00 0.00 C +ATOM 183 CA THR A 183 272.776 171.750 233.491 1.00 0.00 C +ATOM 184 CA ARG A 184 274.813 174.969 233.555 1.00 0.00 C +ATOM 185 CA LEU A 185 278.453 176.075 233.765 1.00 0.00 C +ATOM 186 CA ARG A 186 278.681 179.251 231.673 1.00 0.00 C +ATOM 187 CA PHE A 187 281.696 181.544 231.257 1.00 0.00 C +ATOM 188 CA ALA A 188 282.575 183.085 227.885 1.00 0.00 C +ATOM 189 CA GLN A 189 284.980 185.379 226.023 1.00 0.00 C +ATOM 190 CA ARG A 190 288.732 184.957 225.508 1.00 0.00 C +ATOM 191 CA LEU A 191 291.083 186.404 228.134 1.00 0.00 C +ATOM 192 CA SER A 192 294.783 185.535 228.393 1.00 0.00 C +ATOM 193 CA VAL A 193 297.217 182.634 227.975 1.00 0.00 C +ATOM 194 CA GLN A 194 300.848 183.789 228.026 1.00 0.00 C +ATOM 195 CA SER A 195 302.716 183.271 231.305 1.00 0.00 C +ATOM 196 CA ASP A 196 305.507 181.750 233.406 1.00 0.00 C +ATOM 197 CA GLY A 197 304.894 181.257 237.134 1.00 0.00 C +ATOM 198 CA SER A 198 305.623 178.219 239.314 1.00 0.00 C +ATOM 199 CA ASP A 199 305.743 175.372 241.843 1.00 0.00 C +ATOM 200 CA GLY A 200 305.135 171.666 241.203 1.00 0.00 C +ATOM 201 CA GLU A 201 304.131 169.767 244.350 1.00 0.00 C +ATOM 202 CA VAL A 202 306.113 167.787 246.932 1.00 0.00 C +ATOM 203 CA GLY A 203 309.461 169.568 247.298 1.00 0.00 C +ATOM 204 CA ILE A 204 313.225 169.024 247.537 1.00 0.00 C +ATOM 205 CA GLY A 205 315.322 170.889 250.114 1.00 0.00 C +ATOM 206 CA LEU A 206 318.656 170.065 251.764 1.00 0.00 C +ATOM 207 CA SER A 207 319.572 172.440 254.599 1.00 0.00 C +ATOM 208 CA LEU A 208 316.813 173.843 256.820 1.00 0.00 C +ATOM 209 CA LEU A 209 313.960 171.329 256.588 1.00 0.00 C +ATOM 210 CA ALA A 210 311.005 169.119 255.639 1.00 0.00 C +ATOM 211 CA ASN A 211 311.549 166.174 253.283 1.00 0.00 C +ATOM 212 CA LEU A 212 313.952 163.585 251.856 1.00 0.00 C +ATOM 213 CA VAL A 213 314.132 160.999 249.063 1.00 0.00 C +ATOM 214 CA GLY A 214 310.920 158.962 249.276 1.00 0.00 C +ATOM 215 CA GLY A 215 308.375 157.113 251.426 1.00 0.00 C +ATOM 216 CA ASP A 216 305.200 155.010 251.531 1.00 0.00 C +ATOM 217 CA ASP A 217 302.900 152.553 253.317 1.00 0.00 C +ATOM 218 CA ASP A 218 303.049 149.435 255.501 1.00 0.00 C +ATOM 219 CA ASP A 219 301.281 146.343 254.150 1.00 0.00 C +ATOM 220 CA ASP A 220 303.121 145.563 250.907 1.00 0.00 C +ATOM 221 CA SER A 221 305.083 144.192 247.942 1.00 0.00 C +ATOM 222 CA GLU A 222 307.308 143.395 244.953 1.00 0.00 C +ATOM 223 CA TYR A 223 306.139 142.797 241.377 1.00 0.00 C +ATOM 224 CA GLY A 224 308.333 140.509 239.263 1.00 0.00 C +ATOM 225 CA GLY A 225 312.131 140.219 239.345 1.00 0.00 C +ATOM 226 CA GLY A 226 315.117 142.585 239.349 1.00 0.00 C +ATOM 227 CA GLU A 227 318.133 140.314 238.838 1.00 0.00 C +ATOM 228 CA SER A 228 321.921 140.707 238.957 1.00 0.00 C +ATOM 229 CA GLU A 229 324.611 142.456 241.012 1.00 0.00 C +ATOM 230 CA GLY A 230 328.338 141.807 241.462 1.00 0.00 C +ATOM 231 CA SER A 231 330.554 144.599 242.808 1.00 0.00 C +ATOM 232 CA GLU A 232 332.805 145.873 240.010 1.00 0.00 C +ATOM 233 CA TYR A 233 334.447 145.901 236.573 1.00 0.00 C +ATOM 234 CA GLY A 234 337.519 143.651 236.451 1.00 0.00 C +ATOM 235 CA ARG A 235 339.575 140.517 237.136 1.00 0.00 C +ATOM 236 CA ASP A 236 343.206 139.570 236.473 1.00 0.00 C +ATOM 237 CA GLY A 237 346.512 140.473 238.138 1.00 0.00 C +ATOM 238 CA SER A 238 348.007 143.809 237.064 1.00 0.00 C +ATOM 239 CA GLU A 239 345.796 146.867 237.593 1.00 0.00 C +ATOM 240 CA CYS A 240 342.400 146.217 239.193 1.00 0.00 C +ATOM 241 CA GLY A 241 340.624 149.553 239.676 1.00 0.00 C +TER 242 GLY A 241 +END diff --git a/Fungi/A0A4Y7TIR8/A0A4Y7TIR8.dcd b/Fungi/A0A4Y7TIR8/A0A4Y7TIR8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..bcf1621b6a8e5d2b2b5a6f7d954da482146564bb --- /dev/null +++ b/Fungi/A0A4Y7TIR8/A0A4Y7TIR8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a50f3fbceaa80abb06a514704e59a0df5fb3790aba86b255c7daf8c8c3602021 +size 14600276 diff --git a/Fungi/A0A4Y7TIR8/top.pdb b/Fungi/A0A4Y7TIR8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7ad28e720f03439f2cbf83b75203db4f6424277e --- /dev/null +++ b/Fungi/A0A4Y7TIR8/top.pdb @@ -0,0 +1,119 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 277.404 252.173 277.657 1.00 0.00 C +ATOM 2 CA TYR A 2 280.853 250.574 277.406 1.00 0.00 C +ATOM 3 CA PRO A 3 281.463 249.268 273.879 1.00 0.00 C +ATOM 4 CA HIS A 4 281.146 250.205 270.200 1.00 0.00 C +ATOM 5 CA PRO A 5 279.351 253.523 269.660 1.00 0.00 C +ATOM 6 CA PRO A 6 279.028 256.618 267.462 1.00 0.00 C +ATOM 7 CA PRO A 7 281.998 256.750 265.079 1.00 0.00 C +ATOM 8 CA PRO A 8 285.247 258.732 265.263 1.00 0.00 C +ATOM 9 CA PRO A 9 286.817 262.133 264.571 1.00 0.00 C +ATOM 10 CA GLN A 10 287.001 265.884 265.213 1.00 0.00 C +ATOM 11 CA GLN A 11 283.620 267.394 264.315 1.00 0.00 C +ATOM 12 CA GLN A 12 280.989 265.731 266.512 1.00 0.00 C +ATOM 13 CA GLN A 13 277.899 267.131 268.247 1.00 0.00 C +ATOM 14 CA GLN A 14 274.755 267.407 270.381 1.00 0.00 C +ATOM 15 CA GLN A 15 272.777 270.512 269.401 1.00 0.00 C +ATOM 16 CA GLN A 16 269.992 272.817 270.602 1.00 0.00 C +ATOM 17 CA HIS A 17 266.717 271.564 269.111 1.00 0.00 C +ATOM 18 CA ALA A 18 264.935 269.460 266.481 1.00 0.00 C +ATOM 19 CA PRO A 19 262.785 271.688 264.261 1.00 0.00 C +ATOM 20 CA PRO A 20 259.769 270.834 262.094 1.00 0.00 C +ATOM 21 CA VAL A 21 258.076 272.719 259.249 1.00 0.00 C +ATOM 22 CA GLY A 22 255.487 270.624 257.399 1.00 0.00 C +ATOM 23 CA PRO A 23 255.887 270.524 253.611 1.00 0.00 C +ATOM 24 CA VAL A 24 256.213 266.897 252.493 1.00 0.00 C +ATOM 25 CA SER A 25 255.816 266.141 248.780 1.00 0.00 C +ATOM 26 CA GLY A 26 256.962 266.445 245.159 1.00 0.00 C +ATOM 27 CA ALA A 27 256.001 265.770 241.534 1.00 0.00 C +ATOM 28 CA PRO A 28 253.311 263.752 239.744 1.00 0.00 C +ATOM 29 CA PRO A 29 252.786 262.843 236.081 1.00 0.00 C +ATOM 30 CA VAL A 30 252.638 264.457 232.633 1.00 0.00 C +ATOM 31 CA PRO A 31 249.310 266.276 232.273 1.00 0.00 C +ATOM 32 CA PRO A 32 245.732 267.583 232.181 1.00 0.00 C +ATOM 33 CA ASN A 33 242.027 268.464 232.069 1.00 0.00 C +ATOM 34 CA ILE A 34 238.975 267.776 234.242 1.00 0.00 C +ATOM 35 CA GLU A 35 235.455 267.702 235.698 1.00 0.00 C +ATOM 36 CA PRO A 36 232.331 266.178 234.137 1.00 0.00 C +ATOM 37 CA PRO A 37 231.550 264.703 230.712 1.00 0.00 C +ATOM 38 CA PRO A 38 229.776 267.290 228.549 1.00 0.00 C +ATOM 39 CA PRO A 39 229.709 268.206 224.851 1.00 0.00 C +ATOM 40 CA PRO A 40 231.090 271.676 224.099 1.00 0.00 C +ATOM 41 CA PRO A 41 234.813 272.381 224.501 1.00 0.00 C +ATOM 42 CA GLN A 42 238.431 271.189 224.433 1.00 0.00 C +ATOM 43 CA GLN A 43 239.523 267.540 224.519 1.00 0.00 C +ATOM 44 CA GLN A 44 239.007 264.114 226.105 1.00 0.00 C +ATOM 45 CA GLN A 45 237.813 260.930 227.823 1.00 0.00 C +ATOM 46 CA GLN A 46 238.176 257.201 227.132 1.00 0.00 C +ATOM 47 CA THR A 47 237.124 253.791 228.469 1.00 0.00 C +ATOM 48 CA VAL A 48 239.774 251.789 230.335 1.00 0.00 C +ATOM 49 CA ASN A 49 240.593 253.841 233.440 1.00 0.00 C +ATOM 50 CA PRO A 50 243.550 255.462 235.213 1.00 0.00 C +ATOM 51 CA ALA A 51 244.696 258.906 236.371 1.00 0.00 C +ATOM 52 CA GLU A 52 243.030 261.897 234.700 1.00 0.00 C +ATOM 53 CA THR A 53 239.388 261.617 233.616 1.00 0.00 C +ATOM 54 CA SER A 54 237.347 260.643 236.682 1.00 0.00 C +ATOM 55 CA ARG A 55 235.698 257.305 235.873 1.00 0.00 C +ATOM 56 CA LYS A 56 233.810 255.368 238.556 1.00 0.00 C +ATOM 57 CA GLU A 57 231.274 252.666 239.443 1.00 0.00 C +ATOM 58 CA GLY A 58 227.514 253.189 239.766 1.00 0.00 C +ATOM 59 CA GLY A 59 226.695 256.607 241.238 1.00 0.00 C +ATOM 60 CA ALA A 60 228.531 257.716 244.387 1.00 0.00 C +ATOM 61 CA ASP A 61 229.788 261.307 244.583 1.00 0.00 C +ATOM 62 CA GLY A 62 228.890 263.767 247.351 1.00 0.00 C +ATOM 63 CA ALA A 63 225.158 264.528 247.235 1.00 0.00 C +ATOM 64 CA GLU A 64 221.566 263.311 247.597 1.00 0.00 C +ATOM 65 CA GLY A 65 219.059 261.574 245.313 1.00 0.00 C +ATOM 66 CA GLY A 66 215.771 259.650 245.253 1.00 0.00 C +ATOM 67 CA GLU A 67 215.417 257.542 242.099 1.00 0.00 C +ATOM 68 CA GLY A 68 214.724 253.848 241.471 1.00 0.00 C +ATOM 69 CA GLY A 69 216.094 250.867 239.534 1.00 0.00 C +ATOM 70 CA GLY A 70 219.746 249.849 239.160 1.00 0.00 C +ATOM 71 CA GLY A 71 221.906 248.912 242.155 1.00 0.00 C +ATOM 72 CA GLY A 72 225.298 247.741 243.435 1.00 0.00 C +ATOM 73 CA ASN A 73 228.990 247.847 242.500 1.00 0.00 C +ATOM 74 CA VAL A 74 231.004 248.948 245.541 1.00 0.00 C +ATOM 75 CA ASN A 75 229.169 247.905 248.713 1.00 0.00 C +ATOM 76 CA GLY A 76 229.275 244.608 250.618 1.00 0.00 C +ATOM 77 CA THR A 77 229.834 241.794 248.110 1.00 0.00 C +ATOM 78 CA GLY A 78 232.648 239.238 248.346 1.00 0.00 C +ATOM 79 CA HIS A 79 235.571 237.894 250.388 1.00 0.00 C +ATOM 80 CA GLY A 80 239.218 238.148 251.463 1.00 0.00 C +ATOM 81 CA LYS A 81 242.755 239.143 252.469 1.00 0.00 C +ATOM 82 CA LYS A 82 245.361 241.545 253.867 1.00 0.00 C +ATOM 83 CA ARG A 83 248.619 243.308 252.975 1.00 0.00 C +ATOM 84 CA GLY A 84 250.824 245.418 255.255 1.00 0.00 C +ATOM 85 CA ARG A 85 254.368 245.677 253.881 1.00 0.00 C +ATOM 86 CA SER A 86 255.835 242.578 252.217 1.00 0.00 C +ATOM 87 CA GLY A 87 257.498 240.542 249.460 1.00 0.00 C +ATOM 88 CA LYS A 88 254.671 238.735 247.653 1.00 0.00 C +ATOM 89 CA GLY A 89 253.212 235.553 249.156 1.00 0.00 C +ATOM 90 CA HIS A 90 256.056 233.030 249.401 1.00 0.00 C +ATOM 91 CA GLU A 91 259.784 232.782 248.655 1.00 0.00 C +ATOM 92 CA GLY A 92 262.254 234.337 251.103 1.00 0.00 C +ATOM 93 CA LYS A 93 260.209 235.459 254.115 1.00 0.00 C +ATOM 94 CA SER A 94 258.990 234.414 257.570 1.00 0.00 C +ATOM 95 CA LYS A 95 256.436 233.332 260.182 1.00 0.00 C +ATOM 96 CA ARG A 96 254.860 230.596 262.314 1.00 0.00 C +ATOM 97 CA VAL A 97 253.594 229.184 265.618 1.00 0.00 C +ATOM 98 CA LYS A 98 255.193 228.780 269.053 1.00 0.00 C +ATOM 99 CA ALA A 99 257.057 226.280 271.242 1.00 0.00 C +ATOM 100 CA ARG A 100 260.467 224.883 270.272 1.00 0.00 C +ATOM 101 CA LYS A 101 264.136 224.259 269.459 1.00 0.00 C +ATOM 102 CA ASP A 102 265.256 222.797 266.123 1.00 0.00 C +ATOM 103 CA LYS A 103 266.961 225.531 264.089 1.00 0.00 C +ATOM 104 CA ASP A 104 268.946 224.439 261.026 1.00 0.00 C +ATOM 105 CA GLY A 105 270.663 223.669 257.713 1.00 0.00 C +ATOM 106 CA GLU A 106 268.257 222.037 255.251 1.00 0.00 C +ATOM 107 CA GLU A 107 266.614 219.413 253.031 1.00 0.00 C +ATOM 108 CA GLU A 108 265.188 216.499 255.028 1.00 0.00 C +ATOM 109 CA GLU A 109 262.587 213.722 254.832 1.00 0.00 C +ATOM 110 CA GLN A 110 262.226 210.985 257.458 1.00 0.00 C +ATOM 111 CA VAL A 111 261.709 209.109 260.733 1.00 0.00 C +ATOM 112 CA ALA A 112 259.109 206.848 262.360 1.00 0.00 C +ATOM 113 CA GLU A 113 256.537 204.741 264.219 1.00 0.00 C +ATOM 114 CA MET A 114 257.829 201.157 264.241 1.00 0.00 C +ATOM 115 CA LEU A 115 256.347 199.359 261.226 1.00 0.00 C +TER 116 LEU A 115 +END diff --git a/Fungi/A0A4Y9ZFZ3/A0A4Y9ZFZ3.dcd b/Fungi/A0A4Y9ZFZ3/A0A4Y9ZFZ3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8a0a92377f3277d0799ccf45c386caf80d70f8c3 --- /dev/null +++ b/Fungi/A0A4Y9ZFZ3/A0A4Y9ZFZ3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4d4b82a4f35cc5a1d735fa140cc0a27fc6e9d187f05c5abcb0ffd4c9decad6c3 +size 15080276 diff --git a/Fungi/A0A4Y9ZFZ3/top.pdb b/Fungi/A0A4Y9ZFZ3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..830b66041da93108604e94ef19205d33534729fe --- /dev/null +++ b/Fungi/A0A4Y9ZFZ3/top.pdb @@ -0,0 +1,123 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 313.924 246.240 249.689 1.00 0.00 C +ATOM 2 CA SER A 2 316.114 245.850 246.595 1.00 0.00 C +ATOM 3 CA ALA A 3 316.423 247.302 243.086 1.00 0.00 C +ATOM 4 CA SER A 4 319.796 246.625 241.449 1.00 0.00 C +ATOM 5 CA SER A 5 323.523 246.113 242.053 1.00 0.00 C +ATOM 6 CA THR A 6 324.307 242.385 241.996 1.00 0.00 C +ATOM 7 CA PRO A 7 324.880 241.533 238.327 1.00 0.00 C +ATOM 8 CA SER A 8 322.768 241.241 235.169 1.00 0.00 C +ATOM 9 CA ALA A 9 321.485 237.745 234.362 1.00 0.00 C +ATOM 10 CA SER A 10 318.548 237.099 236.701 1.00 0.00 C +ATOM 11 CA PRO A 11 315.077 237.337 235.149 1.00 0.00 C +ATOM 12 CA GLY A 12 311.740 237.551 233.322 1.00 0.00 C +ATOM 13 CA SER A 13 308.233 236.090 233.036 1.00 0.00 C +ATOM 14 CA VAL A 14 305.043 238.061 232.359 1.00 0.00 C +ATOM 15 CA GLN A 15 304.463 240.840 234.901 1.00 0.00 C +ATOM 16 CA PRO A 16 302.351 243.877 235.813 1.00 0.00 C +ATOM 17 CA LEU A 17 300.631 246.133 233.269 1.00 0.00 C +ATOM 18 CA HIS A 18 296.867 246.334 233.821 1.00 0.00 C +ATOM 19 CA GLN A 19 294.402 248.963 232.583 1.00 0.00 C +ATOM 20 CA PRO A 20 292.571 252.149 231.580 1.00 0.00 C +ATOM 21 CA GLN A 21 290.978 255.514 232.391 1.00 0.00 C +ATOM 22 CA ALA A 22 289.991 256.203 236.006 1.00 0.00 C +ATOM 23 CA ARG A 23 288.439 253.449 238.133 1.00 0.00 C +ATOM 24 CA SER A 24 285.198 251.490 237.718 1.00 0.00 C +ATOM 25 CA ALA A 25 283.528 248.371 239.133 1.00 0.00 C +ATOM 26 CA SER A 26 282.522 248.858 242.775 1.00 0.00 C +ATOM 27 CA ARG A 27 283.102 250.501 246.163 1.00 0.00 C +ATOM 28 CA ARG A 28 281.626 249.524 249.536 1.00 0.00 C +ATOM 29 CA ALA A 29 278.277 247.902 250.355 1.00 0.00 C +ATOM 30 CA ALA A 30 274.906 246.166 249.979 1.00 0.00 C +ATOM 31 CA GLY A 31 273.003 245.121 246.848 1.00 0.00 C +ATOM 32 CA ALA A 32 269.817 243.067 247.229 1.00 0.00 C +ATOM 33 CA PRO A 33 266.301 242.332 245.958 1.00 0.00 C +ATOM 34 CA TRP A 34 265.630 238.669 246.760 1.00 0.00 C +ATOM 35 CA GLN A 35 266.108 235.504 248.827 1.00 0.00 C +ATOM 36 CA TYR A 36 263.652 232.603 249.084 1.00 0.00 C +ATOM 37 CA HIS A 37 260.561 233.420 251.157 1.00 0.00 C +ATOM 38 CA GLN A 38 257.103 234.189 252.558 1.00 0.00 C +ATOM 39 CA TRP A 39 254.159 235.812 254.351 1.00 0.00 C +ATOM 40 CA ALA A 40 250.572 236.563 255.392 1.00 0.00 C +ATOM 41 CA ALA A 41 247.555 236.906 253.090 1.00 0.00 C +ATOM 42 CA GLU A 42 246.262 239.493 250.609 1.00 0.00 C +ATOM 43 CA PRO A 43 246.103 237.729 247.236 1.00 0.00 C +ATOM 44 CA GLY A 44 246.702 233.976 247.501 1.00 0.00 C +ATOM 45 CA ALA A 45 246.990 232.140 244.174 1.00 0.00 C +ATOM 46 CA TRP A 46 243.474 230.813 243.546 1.00 0.00 C +ATOM 47 CA ASP A 47 240.831 228.123 243.005 1.00 0.00 C +ATOM 48 CA GLY A 48 239.241 225.747 245.523 1.00 0.00 C +ATOM 49 CA ARG A 49 242.105 224.686 247.801 1.00 0.00 C +ATOM 50 CA GLU A 50 245.440 225.835 246.361 1.00 0.00 C +ATOM 51 CA SER A 51 248.995 225.607 247.713 1.00 0.00 C +ATOM 52 CA THR A 52 252.635 226.576 248.284 1.00 0.00 C +ATOM 53 CA VAL A 53 255.100 229.089 249.742 1.00 0.00 C +ATOM 54 CA GLY A 54 258.205 229.143 247.536 1.00 0.00 C +ATOM 55 CA GLU A 55 260.851 226.454 248.070 1.00 0.00 C +ATOM 56 CA GLU A 56 262.607 227.083 251.392 1.00 0.00 C +ATOM 57 CA ASP A 57 262.058 224.526 254.163 1.00 0.00 C +ATOM 58 CA GLY A 58 259.116 222.501 255.488 1.00 0.00 C +ATOM 59 CA GLU A 59 255.961 224.523 256.175 1.00 0.00 C +ATOM 60 CA GLY A 60 252.711 225.894 254.735 1.00 0.00 C +ATOM 61 CA PRO A 61 250.087 228.025 256.491 1.00 0.00 C +ATOM 62 CA GLU A 62 246.617 228.634 255.039 1.00 0.00 C +ATOM 63 CA PRO A 63 243.670 226.930 256.749 1.00 0.00 C +ATOM 64 CA ASP A 64 240.505 229.022 256.395 1.00 0.00 C +ATOM 65 CA LYS A 65 241.110 232.770 256.723 1.00 0.00 C +ATOM 66 CA ILE A 66 242.808 235.783 258.321 1.00 0.00 C +ATOM 67 CA GLY A 67 245.701 237.937 259.548 1.00 0.00 C +ATOM 68 CA ALA A 68 247.269 238.779 262.917 1.00 0.00 C +ATOM 69 CA ALA A 69 245.356 241.820 264.185 1.00 0.00 C +ATOM 70 CA LYS A 70 244.365 244.194 266.995 1.00 0.00 C +ATOM 71 CA LYS A 71 242.144 247.105 265.942 1.00 0.00 C +ATOM 72 CA LYS A 72 241.430 249.605 268.727 1.00 0.00 C +ATOM 73 CA HIS A 73 244.714 250.181 270.571 1.00 0.00 C +ATOM 74 CA PHE A 74 248.049 251.577 271.774 1.00 0.00 C +ATOM 75 CA THR A 75 250.089 254.648 272.737 1.00 0.00 C +ATOM 76 CA LYS A 76 249.358 257.894 270.881 1.00 0.00 C +ATOM 77 CA GLY A 77 247.748 257.461 267.456 1.00 0.00 C +ATOM 78 CA ALA A 78 244.037 258.092 268.043 1.00 0.00 C +ATOM 79 CA ASN A 79 240.705 259.824 268.690 1.00 0.00 C +ATOM 80 CA PRO A 80 238.613 260.381 265.555 1.00 0.00 C +ATOM 81 CA MET A 81 238.162 260.900 261.807 1.00 0.00 C +ATOM 82 CA GLN A 82 235.309 263.062 260.502 1.00 0.00 C +ATOM 83 CA PRO A 83 234.609 265.956 262.880 1.00 0.00 C +ATOM 84 CA LEU A 84 233.845 268.158 265.893 1.00 0.00 C +ATOM 85 CA PHE A 85 232.644 265.933 268.744 1.00 0.00 C +ATOM 86 CA ALA A 86 228.886 265.360 268.495 1.00 0.00 C +ATOM 87 CA GLN A 87 227.020 264.121 265.413 1.00 0.00 C +ATOM 88 CA LYS A 88 223.651 263.697 263.685 1.00 0.00 C +ATOM 89 CA GLU A 89 223.996 261.516 260.580 1.00 0.00 C +ATOM 90 CA VAL A 90 222.214 263.099 257.608 1.00 0.00 C +ATOM 91 CA SER A 91 218.461 263.735 257.450 1.00 0.00 C +ATOM 92 CA ASP A 92 217.136 266.394 259.836 1.00 0.00 C +ATOM 93 CA ASP A 93 213.988 267.820 258.233 1.00 0.00 C +ATOM 94 CA GLU A 94 211.807 270.933 258.502 1.00 0.00 C +ATOM 95 CA ALA A 95 209.229 272.865 256.469 1.00 0.00 C +ATOM 96 CA ASP A 96 210.070 272.574 252.765 1.00 0.00 C +ATOM 97 CA ALA A 97 208.661 269.748 250.632 1.00 0.00 C +ATOM 98 CA ALA A 98 207.022 266.344 251.121 1.00 0.00 C +ATOM 99 CA ALA A 99 204.925 264.655 248.426 1.00 0.00 C +ATOM 100 CA ILE A 100 201.277 265.198 249.382 1.00 0.00 C +ATOM 101 CA SER A 101 197.608 265.407 248.377 1.00 0.00 C +ATOM 102 CA SER A 102 194.971 263.513 250.370 1.00 0.00 C +ATOM 103 CA ALA A 103 192.319 262.170 247.986 1.00 0.00 C +ATOM 104 CA ALA A 104 191.935 264.672 245.138 1.00 0.00 C +ATOM 105 CA HIS A 105 188.702 264.717 243.123 1.00 0.00 C +ATOM 106 CA SER A 106 187.702 268.171 241.863 1.00 0.00 C +ATOM 107 CA SER A 107 189.361 270.860 239.736 1.00 0.00 C +ATOM 108 CA ASP A 108 192.523 272.325 238.194 1.00 0.00 C +ATOM 109 CA GLU A 109 193.843 275.156 240.375 1.00 0.00 C +ATOM 110 CA LYS A 110 197.066 277.158 240.715 1.00 0.00 C +ATOM 111 CA MET A 111 199.527 274.764 242.367 1.00 0.00 C +ATOM 112 CA ALA A 112 202.563 274.722 240.066 1.00 0.00 C +ATOM 113 CA ALA A 113 203.864 278.303 240.105 1.00 0.00 C +ATOM 114 CA GLU A 114 203.822 281.247 242.523 1.00 0.00 C +ATOM 115 CA ASP A 115 204.641 284.935 243.018 1.00 0.00 C +ATOM 116 CA ASP A 116 203.845 286.208 246.520 1.00 0.00 C +ATOM 117 CA ASN A 117 200.525 286.239 248.389 1.00 0.00 C +ATOM 118 CA PRO A 118 199.556 282.672 249.311 1.00 0.00 C +ATOM 119 CA PHE A 119 196.774 282.466 251.907 1.00 0.00 C +TER 120 PHE A 119 +END diff --git a/Fungi/A0A4Z1F076/A0A4Z1F076.dcd b/Fungi/A0A4Z1F076/A0A4Z1F076.dcd new file mode 100644 index 0000000000000000000000000000000000000000..54cb864edf7bf9870595c50e4b700b29fe5a1703 --- /dev/null +++ b/Fungi/A0A4Z1F076/A0A4Z1F076.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:34eb0e148d977ef2ddb53564ab25c466a97352018805c4ed984fd147430c115e +size 39900276 diff --git a/Fungi/A0A4Z1F076/top.pdb b/Fungi/A0A4Z1F076/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..91a1a196e5cb3fbefae029861b3526484d4fa3e4 --- /dev/null +++ b/Fungi/A0A4Z1F076/top.pdb @@ -0,0 +1,219 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 252.371 222.616 250.435 1.00 0.00 C +ATOM 2 CA THR A 2 248.989 222.168 252.132 1.00 0.00 C +ATOM 3 CA LEU A 3 246.569 221.290 249.323 1.00 0.00 C +ATOM 4 CA THR A 4 247.155 220.199 245.720 1.00 0.00 C +ATOM 5 CA GLU A 5 246.414 220.416 241.989 1.00 0.00 C +ATOM 6 CA GLU A 6 247.974 223.486 240.358 1.00 0.00 C +ATOM 7 CA GLU A 7 251.327 224.504 238.862 1.00 0.00 C +ATOM 8 CA ARG A 8 251.943 225.032 235.140 1.00 0.00 C +ATOM 9 CA LYS A 9 251.052 221.926 233.122 1.00 0.00 C +ATOM 10 CA LYS A 10 249.682 220.184 230.022 1.00 0.00 C +ATOM 11 CA ALA A 11 248.006 222.250 227.295 1.00 0.00 C +ATOM 12 CA ARG A 12 245.342 224.973 227.373 1.00 0.00 C +ATOM 13 CA ARG A 13 241.795 226.310 226.993 1.00 0.00 C +ATOM 14 CA ASP A 14 239.112 226.521 229.690 1.00 0.00 C +ATOM 15 CA ALA A 15 239.848 227.337 233.338 1.00 0.00 C +ATOM 16 CA LYS A 16 242.965 226.594 235.399 1.00 0.00 C +ATOM 17 CA GLY A 17 245.217 223.558 234.929 1.00 0.00 C +ATOM 18 CA ARG A 18 244.805 219.927 236.009 1.00 0.00 C +ATOM 19 CA THR A 19 244.093 217.948 232.832 1.00 0.00 C +ATOM 20 CA ILE A 20 240.720 217.131 231.261 1.00 0.00 C +ATOM 21 CA SER A 21 237.356 215.413 230.760 1.00 0.00 C +ATOM 22 CA SER A 22 234.925 212.986 232.408 1.00 0.00 C +ATOM 23 CA PRO A 23 235.242 211.757 236.001 1.00 0.00 C +ATOM 24 CA ILE A 24 234.882 207.965 236.075 1.00 0.00 C +ATOM 25 CA GLY A 25 236.773 204.876 234.893 1.00 0.00 C +ATOM 26 CA VAL A 26 239.503 202.676 233.402 1.00 0.00 C +ATOM 27 CA LYS A 27 243.172 203.456 232.735 1.00 0.00 C +ATOM 28 CA ALA A 28 245.977 200.943 232.158 1.00 0.00 C +ATOM 29 CA SER A 29 248.058 201.208 228.977 1.00 0.00 C +ATOM 30 CA THR A 30 251.579 199.753 229.019 1.00 0.00 C +ATOM 31 CA THR A 31 255.364 200.145 228.838 1.00 0.00 C +ATOM 32 CA LEU A 32 257.145 197.989 231.426 1.00 0.00 C +ATOM 33 CA ARG A 33 260.530 196.241 231.352 1.00 0.00 C +ATOM 34 CA GLU A 34 262.864 198.060 228.952 1.00 0.00 C +ATOM 35 CA GLY A 35 264.894 195.283 227.316 1.00 0.00 C +ATOM 36 CA SER A 36 268.194 194.765 225.483 1.00 0.00 C +ATOM 37 CA SER A 37 269.435 197.076 222.720 1.00 0.00 C +ATOM 38 CA SER A 38 266.851 199.527 221.368 1.00 0.00 C +ATOM 39 CA TYR A 39 266.844 202.824 223.278 1.00 0.00 C +ATOM 40 CA MET A 40 270.306 203.314 224.791 1.00 0.00 C +ATOM 41 CA ARG A 41 272.239 205.583 227.164 1.00 0.00 C +ATOM 42 CA ASP A 42 274.082 207.585 229.831 1.00 0.00 C +ATOM 43 CA THR A 43 276.227 208.847 232.715 1.00 0.00 C +ATOM 44 CA ASN A 44 275.940 206.341 235.571 1.00 0.00 C +ATOM 45 CA ASP A 45 277.340 206.189 239.111 1.00 0.00 C +ATOM 46 CA PRO A 46 275.274 208.645 241.165 1.00 0.00 C +ATOM 47 CA THR A 47 275.645 212.435 241.035 1.00 0.00 C +ATOM 48 CA GLN A 48 276.604 213.795 237.607 1.00 0.00 C +ATOM 49 CA GLN A 49 279.332 215.609 235.663 1.00 0.00 C +ATOM 50 CA PRO A 50 278.295 216.111 232.031 1.00 0.00 C +ATOM 51 CA PRO A 51 277.695 219.118 229.770 1.00 0.00 C +ATOM 52 CA ARG A 52 275.274 222.053 229.571 1.00 0.00 C +ATOM 53 CA ASN A 53 275.644 225.836 229.319 1.00 0.00 C +ATOM 54 CA PRO A 54 276.302 228.821 231.594 1.00 0.00 C +ATOM 55 CA ASN A 55 275.214 227.785 235.095 1.00 0.00 C +ATOM 56 CA ALA A 56 276.955 224.952 236.956 1.00 0.00 C +ATOM 57 CA SER A 57 275.044 221.826 237.999 1.00 0.00 C +ATOM 58 CA LEU A 58 272.299 220.229 235.894 1.00 0.00 C +ATOM 59 CA ASN A 59 270.059 222.125 233.465 1.00 0.00 C +ATOM 60 CA TYR A 60 267.443 222.661 230.748 1.00 0.00 C +ATOM 61 CA THR A 61 267.944 221.639 227.112 1.00 0.00 C +ATOM 62 CA GLY A 62 266.802 223.305 223.882 1.00 0.00 C +ATOM 63 CA HIS A 63 267.209 227.061 224.373 1.00 0.00 C +ATOM 64 CA PRO A 64 264.557 229.153 226.136 1.00 0.00 C +ATOM 65 CA SER A 65 262.277 230.796 223.563 1.00 0.00 C +ATOM 66 CA THR A 66 259.881 232.736 221.325 1.00 0.00 C +ATOM 67 CA PRO A 67 258.020 236.056 221.156 1.00 0.00 C +ATOM 68 CA GLY A 68 255.883 237.635 218.425 1.00 0.00 C +ATOM 69 CA PRO A 69 256.514 241.263 217.447 1.00 0.00 C +ATOM 70 CA SER A 70 256.165 244.075 219.993 1.00 0.00 C +ATOM 71 CA THR A 71 253.064 246.118 219.140 1.00 0.00 C +ATOM 72 CA GLY A 72 253.754 249.840 218.704 1.00 0.00 C +ATOM 73 CA HIS A 73 256.994 251.501 219.825 1.00 0.00 C +ATOM 74 CA GLY A 74 258.781 254.669 218.688 1.00 0.00 C +ATOM 75 CA ASN A 75 258.544 257.571 221.146 1.00 0.00 C +ATOM 76 CA PRO A 76 259.703 260.392 223.429 1.00 0.00 C +ATOM 77 CA ASN A 77 257.745 261.323 226.562 1.00 0.00 C +ATOM 78 CA LEU A 78 259.247 263.319 229.439 1.00 0.00 C +ATOM 79 CA ALA A 79 256.787 265.803 230.955 1.00 0.00 C +ATOM 80 CA PRO A 80 253.675 265.661 228.763 1.00 0.00 C +ATOM 81 CA GLN A 81 251.172 263.608 226.754 1.00 0.00 C +ATOM 82 CA GLY A 82 247.453 264.397 226.503 1.00 0.00 C +ATOM 83 CA PRO A 83 245.954 267.420 228.271 1.00 0.00 C +ATOM 84 CA PRO A 84 248.577 270.182 228.160 1.00 0.00 C +ATOM 85 CA ARG A 85 251.032 270.748 231.018 1.00 0.00 C +ATOM 86 CA SER A 86 250.612 274.091 232.795 1.00 0.00 C +ATOM 87 CA PHE A 87 247.509 274.556 234.957 1.00 0.00 C +ATOM 88 CA PRO A 88 248.477 275.862 238.403 1.00 0.00 C +ATOM 89 CA ASN A 89 247.679 275.774 242.128 1.00 0.00 C +ATOM 90 CA ASN A 90 248.112 273.914 245.424 1.00 0.00 C +ATOM 91 CA PRO A 91 251.282 272.361 246.859 1.00 0.00 C +ATOM 92 CA HIS A 92 253.161 272.693 250.156 1.00 0.00 C +ATOM 93 CA GLN A 93 256.039 273.135 252.614 1.00 0.00 C +ATOM 94 CA LEU A 94 258.120 270.559 254.497 1.00 0.00 C +ATOM 95 CA ASN A 95 260.374 268.212 256.478 1.00 0.00 C +ATOM 96 CA GLN A 96 258.230 266.727 259.256 1.00 0.00 C +ATOM 97 CA ALA A 97 258.165 262.930 258.954 1.00 0.00 C +ATOM 98 CA ALA A 98 257.289 260.411 256.233 1.00 0.00 C +ATOM 99 CA ALA A 99 257.711 259.152 252.661 1.00 0.00 C +ATOM 100 CA ARG A 100 260.792 260.715 251.055 1.00 0.00 C +ATOM 101 CA PRO A 101 263.567 262.470 249.122 1.00 0.00 C +ATOM 102 CA ALA A 102 264.474 264.960 246.385 1.00 0.00 C +ATOM 103 CA PRO A 103 266.171 265.418 243.004 1.00 0.00 C +ATOM 104 CA TYR A 104 267.206 266.488 239.497 1.00 0.00 C +ATOM 105 CA GLN A 105 267.371 263.244 237.506 1.00 0.00 C +ATOM 106 CA GLN A 106 263.993 261.586 238.099 1.00 0.00 C +ATOM 107 CA PRO A 107 260.521 260.630 239.343 1.00 0.00 C +ATOM 108 CA ALA A 108 258.465 260.073 242.502 1.00 0.00 C +ATOM 109 CA MET A 109 257.273 257.319 244.849 1.00 0.00 C +ATOM 110 CA TYR A 110 256.260 254.057 246.539 1.00 0.00 C +ATOM 111 CA THR A 111 254.084 251.102 247.561 1.00 0.00 C +ATOM 112 CA SER A 112 251.611 249.099 249.656 1.00 0.00 C +ATOM 113 CA SER A 113 250.215 248.149 253.071 1.00 0.00 C +ATOM 114 CA ALA A 114 247.713 248.354 255.938 1.00 0.00 C +ATOM 115 CA GLY A 115 244.047 248.499 256.963 1.00 0.00 C +ATOM 116 CA GLN A 116 242.160 248.389 260.271 1.00 0.00 C +ATOM 117 CA SER A 117 240.768 248.386 263.818 1.00 0.00 C +ATOM 118 CA SER A 118 237.562 249.957 265.148 1.00 0.00 C +ATOM 119 CA ALA A 119 234.738 250.214 267.692 1.00 0.00 C +ATOM 120 CA THR A 120 231.433 249.365 265.998 1.00 0.00 C +ATOM 121 CA GLY A 121 229.139 248.283 268.841 1.00 0.00 C +ATOM 122 CA GLY A 122 229.735 245.714 271.590 1.00 0.00 C +ATOM 123 CA ARG A 123 231.220 243.599 274.389 1.00 0.00 C +ATOM 124 CA PRO A 124 232.140 241.546 277.465 1.00 0.00 C +ATOM 125 CA ARG A 125 233.972 238.339 276.531 1.00 0.00 C +ATOM 126 CA SER A 126 236.086 237.387 273.507 1.00 0.00 C +ATOM 127 CA GLN A 127 238.564 238.905 271.044 1.00 0.00 C +ATOM 128 CA ASP A 128 242.155 240.135 270.706 1.00 0.00 C +ATOM 129 CA HIS A 129 245.854 239.439 271.292 1.00 0.00 C +ATOM 130 CA THR A 130 248.773 240.220 273.613 1.00 0.00 C +ATOM 131 CA SER A 131 249.184 243.551 275.417 1.00 0.00 C +ATOM 132 CA SER A 132 247.265 246.551 276.771 1.00 0.00 C +ATOM 133 CA THR A 133 244.773 249.205 275.650 1.00 0.00 C +ATOM 134 CA GLN A 134 242.066 250.394 273.246 1.00 0.00 C +ATOM 135 CA ARG A 135 240.492 253.070 271.038 1.00 0.00 C +ATOM 136 CA ASN A 136 240.261 256.873 271.021 1.00 0.00 C +ATOM 137 CA SER A 137 240.951 259.289 273.885 1.00 0.00 C +ATOM 138 CA GLY A 138 240.113 258.120 277.413 1.00 0.00 C +ATOM 139 CA ASN A 139 239.077 257.041 280.917 1.00 0.00 C +ATOM 140 CA HIS A 140 235.716 256.063 282.423 1.00 0.00 C +ATOM 141 CA ASN A 141 232.994 256.785 279.858 1.00 0.00 C +ATOM 142 CA SER A 142 230.780 258.968 277.655 1.00 0.00 C +ATOM 143 CA SER A 143 229.035 260.618 274.698 1.00 0.00 C +ATOM 144 CA ARG A 144 230.688 261.729 271.450 1.00 0.00 C +ATOM 145 CA PRO A 145 229.301 263.498 268.374 1.00 0.00 C +ATOM 146 CA SER A 146 228.653 263.663 264.623 1.00 0.00 C +ATOM 147 CA SER A 147 225.033 263.017 263.626 1.00 0.00 C +ATOM 148 CA SER A 148 221.516 264.216 262.781 1.00 0.00 C +ATOM 149 CA HIS A 149 217.892 263.063 262.555 1.00 0.00 C +ATOM 150 CA SER A 150 214.674 261.088 263.066 1.00 0.00 C +ATOM 151 CA ASN A 151 211.731 258.833 263.943 1.00 0.00 C +ATOM 152 CA ALA A 152 210.164 257.584 267.184 1.00 0.00 C +ATOM 153 CA SER A 153 211.609 256.949 270.652 1.00 0.00 C +ATOM 154 CA SER A 154 214.961 258.714 271.061 1.00 0.00 C +ATOM 155 CA VAL A 155 217.681 256.625 269.401 1.00 0.00 C +ATOM 156 CA ASP A 156 220.913 258.536 270.048 1.00 0.00 C +ATOM 157 CA ASN A 157 222.469 261.940 269.335 1.00 0.00 C +ATOM 158 CA GLY A 158 221.120 265.082 271.015 1.00 0.00 C +ATOM 159 CA THR A 159 222.148 268.261 269.184 1.00 0.00 C +ATOM 160 CA THR A 160 224.750 270.758 270.413 1.00 0.00 C +ATOM 161 CA THR A 161 226.708 274.022 270.242 1.00 0.00 C +ATOM 162 CA ILE A 162 230.472 274.026 269.654 1.00 0.00 C +ATOM 163 CA SER A 163 234.033 275.040 270.552 1.00 0.00 C +ATOM 164 CA GLN A 164 236.088 278.226 270.177 1.00 0.00 C +ATOM 165 CA ARG A 165 238.950 280.710 270.570 1.00 0.00 C +ATOM 166 CA GLY A 166 240.210 282.839 273.468 1.00 0.00 C +ATOM 167 CA SER A 167 241.838 280.784 276.232 1.00 0.00 C +ATOM 168 CA ARG A 168 243.034 277.171 276.053 1.00 0.00 C +ATOM 169 CA GLY A 169 240.912 274.683 274.098 1.00 0.00 C +ATOM 170 CA SER A 170 239.490 271.240 274.899 1.00 0.00 C +ATOM 171 CA ARG A 171 237.833 267.852 274.358 1.00 0.00 C +ATOM 172 CA GLY A 172 240.469 265.273 275.318 1.00 0.00 C +ATOM 173 CA SER A 173 243.157 266.157 277.869 1.00 0.00 C +ATOM 174 CA HIS A 174 246.202 263.958 277.229 1.00 0.00 C +ATOM 175 CA ARG A 175 249.057 261.747 276.012 1.00 0.00 C +ATOM 176 CA SER A 176 251.871 260.616 273.705 1.00 0.00 C +ATOM 177 CA HIS A 177 252.578 259.248 270.220 1.00 0.00 C +ATOM 178 CA ARG A 178 251.421 260.010 266.671 1.00 0.00 C +ATOM 179 CA SER A 179 249.446 261.406 263.728 1.00 0.00 C +ATOM 180 CA ARG A 180 247.087 263.999 262.236 1.00 0.00 C +ATOM 181 CA GLY A 181 243.821 265.951 262.036 1.00 0.00 C +ATOM 182 CA SER A 182 240.998 265.511 259.516 1.00 0.00 C +ATOM 183 CA ARG A 183 240.053 266.616 255.994 1.00 0.00 C +ATOM 184 CA ASP A 184 239.925 265.558 252.336 1.00 0.00 C +ATOM 185 CA SER A 185 237.387 266.770 249.765 1.00 0.00 C +ATOM 186 CA THR A 186 239.256 268.558 246.967 1.00 0.00 C +ATOM 187 CA ASP A 187 241.723 271.437 247.352 1.00 0.00 C +ATOM 188 CA SER A 188 242.348 275.137 248.008 1.00 0.00 C +ATOM 189 CA HIS A 189 244.235 278.419 248.439 1.00 0.00 C +ATOM 190 CA SER A 190 247.711 278.713 249.972 1.00 0.00 C +ATOM 191 CA SER A 191 251.170 279.170 251.502 1.00 0.00 C +ATOM 192 CA THR A 192 253.652 281.450 249.725 1.00 0.00 C +ATOM 193 CA ALA A 193 257.236 282.583 249.104 1.00 0.00 C +ATOM 194 CA SER A 194 258.146 286.214 248.392 1.00 0.00 C +ATOM 195 CA SER A 195 259.627 289.321 250.026 1.00 0.00 C +ATOM 196 CA LEU A 196 257.463 290.767 252.809 1.00 0.00 C +ATOM 197 CA ASP A 197 256.813 294.232 254.254 1.00 0.00 C +ATOM 198 CA ARG A 198 257.764 295.806 257.591 1.00 0.00 C +ATOM 199 CA ASP A 199 258.670 298.974 259.504 1.00 0.00 C +ATOM 200 CA PRO A 200 260.513 302.282 259.928 1.00 0.00 C +ATOM 201 CA PHE A 201 262.027 304.199 262.851 1.00 0.00 C +ATOM 202 CA GLU A 202 264.254 303.861 265.924 1.00 0.00 C +ATOM 203 CA TYR A 203 266.309 300.721 265.262 1.00 0.00 C +ATOM 204 CA ASP A 204 268.221 298.521 262.809 1.00 0.00 C +ATOM 205 CA GLY A 205 266.523 295.130 262.442 1.00 0.00 C +ATOM 206 CA PRO A 206 267.584 292.179 264.606 1.00 0.00 C +ATOM 207 CA LYS A 207 265.353 291.976 267.688 1.00 0.00 C +ATOM 208 CA TYR A 208 264.695 288.262 268.225 1.00 0.00 C +ATOM 209 CA ARG A 209 264.369 287.637 271.969 1.00 0.00 C +ATOM 210 CA GLU A 210 261.226 285.744 272.997 1.00 0.00 C +ATOM 211 CA LEU A 211 257.483 285.093 272.714 1.00 0.00 C +ATOM 212 CA LEU A 212 255.737 281.736 273.160 1.00 0.00 C +ATOM 213 CA LYS A 213 251.947 282.014 273.435 1.00 0.00 C +ATOM 214 CA LYS A 214 249.842 278.838 273.491 1.00 0.00 C +ATOM 215 CA GLY A 215 250.322 275.672 275.555 1.00 0.00 C +TER 216 GLY A 215 +END diff --git a/Fungi/A0A4Z1G113/A0A4Z1G113.dcd b/Fungi/A0A4Z1G113/A0A4Z1G113.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e33289ce6858a9b68f5c6d8f6c09e2d6d8d0e7a2 --- /dev/null +++ b/Fungi/A0A4Z1G113/A0A4Z1G113.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8f44f97a23d6dd25f822ee0035814a9f4796226811296bd87e42c7b2baae61cc +size 11840276 diff --git a/Fungi/A0A4Z1G113/top.pdb b/Fungi/A0A4Z1G113/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7e861b4e1c7a4d4b7e5a11b90bb871effa79e5ac --- /dev/null +++ b/Fungi/A0A4Z1G113/top.pdb @@ -0,0 +1,96 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 264.300 190.966 239.618 1.00 0.00 C +ATOM 2 CA SER A 2 261.815 190.922 236.731 1.00 0.00 C +ATOM 3 CA GLY A 3 261.338 193.836 234.323 1.00 0.00 C +ATOM 4 CA ARG A 4 258.585 196.386 233.662 1.00 0.00 C +ATOM 5 CA ALA A 5 259.796 199.994 233.823 1.00 0.00 C +ATOM 6 CA SER A 6 261.208 201.432 237.056 1.00 0.00 C +ATOM 7 CA ALA A 7 263.961 202.756 239.333 1.00 0.00 C +ATOM 8 CA SER A 8 266.649 205.445 239.574 1.00 0.00 C +ATOM 9 CA PRO A 9 269.890 207.410 239.968 1.00 0.00 C +ATOM 10 CA SER A 10 271.145 210.155 237.643 1.00 0.00 C +ATOM 11 CA VAL A 11 268.637 212.432 235.899 1.00 0.00 C +ATOM 12 CA ALA A 12 265.067 213.195 236.990 1.00 0.00 C +ATOM 13 CA GLY A 13 262.393 210.778 238.224 1.00 0.00 C +ATOM 14 CA ASN A 14 259.925 209.250 240.692 1.00 0.00 C +ATOM 15 CA GLU A 15 259.138 211.032 243.966 1.00 0.00 C +ATOM 16 CA PRO A 16 259.286 214.838 243.869 1.00 0.00 C +ATOM 17 CA ALA A 17 256.943 215.976 246.650 1.00 0.00 C +ATOM 18 CA SER A 18 256.685 213.690 249.688 1.00 0.00 C +ATOM 19 CA PRO A 19 253.354 212.783 251.300 1.00 0.00 C +ATOM 20 CA SER A 20 253.511 212.171 255.057 1.00 0.00 C +ATOM 21 CA SER A 21 251.065 214.439 256.898 1.00 0.00 C +ATOM 22 CA ASP A 22 249.165 217.683 257.519 1.00 0.00 C +ATOM 23 CA HIS A 23 247.721 218.362 260.979 1.00 0.00 C +ATOM 24 CA HIS A 24 248.737 221.438 262.985 1.00 0.00 C +ATOM 25 CA ALA A 25 249.186 224.589 260.891 1.00 0.00 C +ATOM 26 CA ASN A 26 249.662 228.205 261.994 1.00 0.00 C +ATOM 27 CA ILE A 27 246.987 230.425 260.434 1.00 0.00 C +ATOM 28 CA ASP A 28 243.522 229.700 259.026 1.00 0.00 C +ATOM 29 CA GLU A 29 242.009 232.190 256.571 1.00 0.00 C +ATOM 30 CA ARG A 30 238.367 232.940 257.401 1.00 0.00 C +ATOM 31 CA ALA A 31 237.935 235.495 260.194 1.00 0.00 C +ATOM 32 CA GLU A 32 236.961 234.319 263.684 1.00 0.00 C +ATOM 33 CA ALA A 33 239.136 233.042 266.539 1.00 0.00 C +ATOM 34 CA GLU A 34 242.000 232.259 268.927 1.00 0.00 C +ATOM 35 CA PRO A 35 245.630 232.488 270.062 1.00 0.00 C +ATOM 36 CA PRO A 36 248.816 234.526 269.604 1.00 0.00 C +ATOM 37 CA PRO A 37 251.641 236.123 267.608 1.00 0.00 C +ATOM 38 CA GLN A 38 254.678 238.137 266.497 1.00 0.00 C +ATOM 39 CA ILE A 39 257.731 238.155 268.776 1.00 0.00 C +ATOM 40 CA PRO A 40 260.937 237.275 266.916 1.00 0.00 C +ATOM 41 CA THR A 41 264.114 239.190 267.785 1.00 0.00 C +ATOM 42 CA PRO A 42 264.845 241.381 264.755 1.00 0.00 C +ATOM 43 CA ALA A 43 264.696 244.924 263.362 1.00 0.00 C +ATOM 44 CA PRO A 44 264.438 247.195 260.314 1.00 0.00 C +ATOM 45 CA ALA A 45 261.296 249.272 259.738 1.00 0.00 C +ATOM 46 CA PRO A 46 259.205 251.792 257.791 1.00 0.00 C +ATOM 47 CA VAL A 47 258.073 254.936 255.961 1.00 0.00 C +ATOM 48 CA PRO A 48 255.189 257.089 254.712 1.00 0.00 C +ATOM 49 CA THR A 49 251.832 257.273 252.919 1.00 0.00 C +ATOM 50 CA LYS A 50 248.544 257.828 251.077 1.00 0.00 C +ATOM 51 CA ILE A 51 245.462 259.524 249.613 1.00 0.00 C +ATOM 52 CA LYS A 52 244.804 261.066 246.191 1.00 0.00 C +ATOM 53 CA ARG A 53 246.825 264.245 245.620 1.00 0.00 C +ATOM 54 CA LYS A 54 250.083 265.090 243.834 1.00 0.00 C +ATOM 55 CA GLN A 55 249.248 267.257 240.814 1.00 0.00 C +ATOM 56 CA ARG A 56 251.715 268.221 238.075 1.00 0.00 C +ATOM 57 CA GLN A 57 252.585 265.504 235.550 1.00 0.00 C +ATOM 58 CA ARG A 58 255.077 262.622 235.533 1.00 0.00 C +ATOM 59 CA GLN A 59 256.770 260.505 232.856 1.00 0.00 C +ATOM 60 CA ARG A 60 254.981 257.186 232.309 1.00 0.00 C +ATOM 61 CA GLN A 61 251.195 256.762 232.305 1.00 0.00 C +ATOM 62 CA LYS A 62 249.520 259.969 233.500 1.00 0.00 C +ATOM 63 CA GLN A 63 246.374 261.683 232.205 1.00 0.00 C +ATOM 64 CA LYS A 64 242.744 260.814 231.438 1.00 0.00 C +ATOM 65 CA ARG A 65 241.233 260.094 234.861 1.00 0.00 C +ATOM 66 CA GLN A 66 241.873 261.278 238.426 1.00 0.00 C +ATOM 67 CA GLN A 67 241.568 265.076 238.454 1.00 0.00 C +ATOM 68 CA PRO A 68 241.527 268.881 238.262 1.00 0.00 C +ATOM 69 CA ILE A 69 240.499 272.540 238.534 1.00 0.00 C +ATOM 70 CA ARG A 70 237.335 274.533 237.806 1.00 0.00 C +ATOM 71 CA ARG A 71 235.814 277.950 237.078 1.00 0.00 C +ATOM 72 CA SER A 72 237.230 281.474 237.387 1.00 0.00 C +ATOM 73 CA ALA A 73 236.606 284.966 238.777 1.00 0.00 C +ATOM 74 CA ARG A 74 237.130 285.777 242.463 1.00 0.00 C +ATOM 75 CA VAL A 75 233.755 286.809 243.900 1.00 0.00 C +ATOM 76 CA LYS A 76 233.107 287.819 247.516 1.00 0.00 C +ATOM 77 CA LYS A 77 233.752 287.596 251.264 1.00 0.00 C +ATOM 78 CA THR A 78 237.168 288.853 252.389 1.00 0.00 C +ATOM 79 CA ALA A 79 236.753 290.487 255.806 1.00 0.00 C +ATOM 80 CA ARG A 80 233.820 292.884 256.208 1.00 0.00 C +ATOM 81 CA THR A 81 231.497 295.413 257.858 1.00 0.00 C +ATOM 82 CA SER A 82 232.575 298.806 259.215 1.00 0.00 C +ATOM 83 CA LYS A 83 234.271 302.065 258.205 1.00 0.00 C +ATOM 84 CA ALA A 84 237.031 303.313 255.895 1.00 0.00 C +ATOM 85 CA THR A 85 240.477 302.172 254.739 1.00 0.00 C +ATOM 86 CA ALA A 86 243.635 304.294 254.952 1.00 0.00 C +ATOM 87 CA HIS A 87 247.072 303.290 256.252 1.00 0.00 C +ATOM 88 CA SER A 88 249.776 305.298 258.033 1.00 0.00 C +ATOM 89 CA ALA A 89 252.686 305.494 260.485 1.00 0.00 C +ATOM 90 CA GLY A 90 254.973 305.688 263.526 1.00 0.00 C +ATOM 91 CA GLY A 91 256.077 303.333 266.309 1.00 0.00 C +ATOM 92 CA SER A 92 255.633 305.255 269.569 1.00 0.00 C +TER 93 SER A 92 +END diff --git a/Fungi/A0A4Z1HGT6/A0A4Z1HGT6.dcd b/Fungi/A0A4Z1HGT6/A0A4Z1HGT6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d186256bf90ce44fe502ac74829ee22b981a72c0 --- /dev/null +++ b/Fungi/A0A4Z1HGT6/A0A4Z1HGT6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d84701ff29cff47fbd36f5f8ba49b7de76e4569354690fd6c4c6a28bbc7ea72a +size 12680276 diff --git a/Fungi/A0A4Z1HGT6/top.pdb b/Fungi/A0A4Z1HGT6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..43cc44bdefc7a46c9f643600ceecdb4b6ed3d395 --- /dev/null +++ b/Fungi/A0A4Z1HGT6/top.pdb @@ -0,0 +1,103 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 274.554 230.768 214.542 1.00 0.00 C +ATOM 2 CA PRO A 2 273.022 233.344 212.190 1.00 0.00 C +ATOM 3 CA ARG A 3 273.719 236.175 209.737 1.00 0.00 C +ATOM 4 CA TYR A 4 273.066 239.443 207.891 1.00 0.00 C +ATOM 5 CA SER A 5 269.875 240.782 209.485 1.00 0.00 C +ATOM 6 CA GLU A 6 268.359 241.971 212.772 1.00 0.00 C +ATOM 7 CA SER A 7 264.675 242.727 212.158 1.00 0.00 C +ATOM 8 CA THR A 8 261.091 243.191 213.364 1.00 0.00 C +ATOM 9 CA ARG A 9 257.551 243.795 214.635 1.00 0.00 C +ATOM 10 CA ASP A 10 253.791 243.257 214.340 1.00 0.00 C +ATOM 11 CA SER A 11 252.363 239.814 215.131 1.00 0.00 C +ATOM 12 CA GLN A 12 254.048 237.595 217.729 1.00 0.00 C +ATOM 13 CA TYR A 13 254.635 237.407 221.489 1.00 0.00 C +ATOM 14 CA ASP A 14 258.253 238.202 222.380 1.00 0.00 C +ATOM 15 CA ASN A 15 259.839 241.038 224.368 1.00 0.00 C +ATOM 16 CA GLN A 16 260.945 241.407 227.996 1.00 0.00 C +ATOM 17 CA GLN A 17 264.509 242.347 228.959 1.00 0.00 C +ATOM 18 CA GLN A 18 268.207 243.007 228.326 1.00 0.00 C +ATOM 19 CA GLN A 19 270.698 245.860 227.909 1.00 0.00 C +ATOM 20 CA ARG A 20 269.379 249.409 227.487 1.00 0.00 C +ATOM 21 CA GLN A 21 268.802 251.884 230.325 1.00 0.00 C +ATOM 22 CA ARG A 22 269.986 255.444 230.988 1.00 0.00 C +ATOM 23 CA GLN A 23 273.303 257.310 230.807 1.00 0.00 C +ATOM 24 CA GLY A 24 274.949 256.209 227.552 1.00 0.00 C +ATOM 25 CA THR A 25 275.755 253.408 225.098 1.00 0.00 C +ATOM 26 CA VAL A 26 276.893 250.175 223.434 1.00 0.00 C +ATOM 27 CA ASN A 27 278.592 247.372 225.376 1.00 0.00 C +ATOM 28 CA LYS A 28 281.890 246.143 226.836 1.00 0.00 C +ATOM 29 CA GLU A 29 282.521 242.585 228.041 1.00 0.00 C +ATOM 30 CA GLN A 30 279.845 240.448 229.711 1.00 0.00 C +ATOM 31 CA ARG A 31 277.797 238.775 232.454 1.00 0.00 C +ATOM 32 CA GLU A 32 275.278 236.763 234.484 1.00 0.00 C +ATOM 33 CA ALA A 33 271.663 236.897 233.288 1.00 0.00 C +ATOM 34 CA ILE A 34 268.942 235.920 230.806 1.00 0.00 C +ATOM 35 CA ARG A 35 265.583 234.130 230.649 1.00 0.00 C +ATOM 36 CA LYS A 36 264.362 233.613 234.221 1.00 0.00 C +ATOM 37 CA LYS A 37 262.751 234.684 237.503 1.00 0.00 C +ATOM 38 CA ASN A 38 263.292 235.792 241.108 1.00 0.00 C +ATOM 39 CA GLU A 39 263.435 232.643 243.247 1.00 0.00 C +ATOM 40 CA LYS A 40 261.282 232.273 246.368 1.00 0.00 C +ATOM 41 CA ARG A 41 260.806 228.973 248.212 1.00 0.00 C +ATOM 42 CA GLU A 42 258.196 229.090 250.985 1.00 0.00 C +ATOM 43 CA ARG A 43 255.306 230.322 253.142 1.00 0.00 C +ATOM 44 CA GLU A 44 252.367 232.725 253.460 1.00 0.00 C +ATOM 45 CA LYS A 45 252.484 235.957 251.447 1.00 0.00 C +ATOM 46 CA TYR A 46 251.995 235.857 247.670 1.00 0.00 C +ATOM 47 CA GLU A 47 249.790 233.580 245.557 1.00 0.00 C +ATOM 48 CA GLN A 48 246.171 233.790 244.383 1.00 0.00 C +ATOM 49 CA ARG A 49 243.304 236.294 244.544 1.00 0.00 C +ATOM 50 CA LYS A 50 241.387 239.145 246.190 1.00 0.00 C +ATOM 51 CA LYS A 51 239.957 241.860 243.932 1.00 0.00 C +ATOM 52 CA GLU A 52 241.511 245.339 243.975 1.00 0.00 C +ATOM 53 CA GLU A 53 244.771 246.337 245.675 1.00 0.00 C +ATOM 54 CA ARG A 54 244.296 248.376 248.858 1.00 0.00 C +ATOM 55 CA GLN A 55 244.160 249.569 252.474 1.00 0.00 C +ATOM 56 CA TYR A 56 245.396 251.795 255.308 1.00 0.00 C +ATOM 57 CA GLY A 57 247.288 254.849 256.577 1.00 0.00 C +ATOM 58 CA GLN A 58 248.596 255.989 259.969 1.00 0.00 C +ATOM 59 CA ALA A 59 251.920 257.306 261.287 1.00 0.00 C +ATOM 60 CA ARG A 60 253.862 254.485 262.956 1.00 0.00 C +ATOM 61 CA ALA A 61 252.942 253.705 266.570 1.00 0.00 C +ATOM 62 CA ASP A 62 251.395 256.179 269.020 1.00 0.00 C +ATOM 63 CA GLY A 63 249.619 255.486 272.319 1.00 0.00 C +ATOM 64 CA ARG A 64 246.449 257.298 273.408 1.00 0.00 C +ATOM 65 CA VAL A 65 244.955 255.042 276.090 1.00 0.00 C +ATOM 66 CA ASP A 66 241.533 253.367 276.060 1.00 0.00 C +ATOM 67 CA SER A 67 238.003 253.120 274.648 1.00 0.00 C +ATOM 68 CA GLY A 68 237.131 250.487 272.036 1.00 0.00 C +ATOM 69 CA ASN A 69 234.535 251.481 269.430 1.00 0.00 C +ATOM 70 CA ASP A 70 232.650 254.200 267.541 1.00 0.00 C +ATOM 71 CA ARG A 71 234.458 257.455 268.350 1.00 0.00 C +ATOM 72 CA SER A 72 234.265 258.263 272.068 1.00 0.00 C +ATOM 73 CA ARG A 73 230.776 257.765 273.514 1.00 0.00 C +ATOM 74 CA GLY A 74 227.111 257.365 272.552 1.00 0.00 C +ATOM 75 CA GLU A 75 223.972 255.215 272.341 1.00 0.00 C +ATOM 76 CA LYS A 76 220.370 253.980 272.476 1.00 0.00 C +ATOM 77 CA VAL A 77 218.296 254.305 275.655 1.00 0.00 C +ATOM 78 CA SER A 78 214.906 255.913 276.317 1.00 0.00 C +ATOM 79 CA GLU A 79 212.158 258.359 277.308 1.00 0.00 C +ATOM 80 CA ARG A 80 212.489 261.208 279.816 1.00 0.00 C +ATOM 81 CA ASN A 81 215.031 261.538 282.634 1.00 0.00 C +ATOM 82 CA TYR A 82 218.792 262.038 282.981 1.00 0.00 C +ATOM 83 CA GLY A 83 221.173 264.819 284.036 1.00 0.00 C +ATOM 84 CA LYS A 84 223.295 267.957 283.626 1.00 0.00 C +ATOM 85 CA ILE A 85 222.431 271.665 283.498 1.00 0.00 C +ATOM 86 CA SER A 86 221.123 272.849 280.121 1.00 0.00 C +ATOM 87 CA SER A 87 221.480 270.690 277.003 1.00 0.00 C +ATOM 88 CA GLY A 88 223.118 271.008 273.578 1.00 0.00 C +ATOM 89 CA GLU A 89 226.145 269.049 272.346 1.00 0.00 C +ATOM 90 CA MET A 90 228.042 270.795 269.541 1.00 0.00 C +ATOM 91 CA SER A 91 230.727 273.252 270.670 1.00 0.00 C +ATOM 92 CA GLY A 92 233.515 273.995 273.158 1.00 0.00 C +ATOM 93 CA LYS A 93 237.147 274.492 274.197 1.00 0.00 C +ATOM 94 CA LYS A 94 240.681 274.072 272.837 1.00 0.00 C +ATOM 95 CA GLY A 95 243.975 275.195 274.387 1.00 0.00 C +ATOM 96 CA VAL A 96 246.075 274.740 277.534 1.00 0.00 C +ATOM 97 CA ARG A 97 247.495 271.457 278.845 1.00 0.00 C +ATOM 98 CA TRP A 98 249.593 268.925 280.770 1.00 0.00 C +ATOM 99 CA LYS A 99 249.088 265.625 278.933 1.00 0.00 C +TER 100 LYS A 99 +END diff --git a/Fungi/A0A4Z1KMN2/A0A4Z1KMN2.dcd b/Fungi/A0A4Z1KMN2/A0A4Z1KMN2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..5ac87e55f1ceef6842eb6bb5c5ce764f1db7c1d4 --- /dev/null +++ b/Fungi/A0A4Z1KMN2/A0A4Z1KMN2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:29b841aa3fb3e8226bfed9d73715f162a9a868fff59da457e6521d066a56707b +size 12440276 diff --git a/Fungi/A0A4Z1KMN2/top.pdb b/Fungi/A0A4Z1KMN2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4ef236333de41ed6fdbafc6486515a9c7a7378a4 --- /dev/null +++ b/Fungi/A0A4Z1KMN2/top.pdb @@ -0,0 +1,101 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 250.702 262.098 249.949 1.00 0.00 C +ATOM 2 CA PRO A 2 251.052 264.785 247.271 1.00 0.00 C +ATOM 3 CA LEU A 3 250.056 264.064 243.665 1.00 0.00 C +ATOM 4 CA THR A 4 250.689 260.903 241.634 1.00 0.00 C +ATOM 5 CA LYS A 5 253.604 258.850 240.293 1.00 0.00 C +ATOM 6 CA SER A 6 255.555 256.371 242.429 1.00 0.00 C +ATOM 7 CA SER A 7 255.446 253.647 245.091 1.00 0.00 C +ATOM 8 CA SER A 8 256.041 254.708 248.701 1.00 0.00 C +ATOM 9 CA ALA A 9 258.650 253.267 251.075 1.00 0.00 C +ATOM 10 CA ILE A 10 262.431 252.821 250.931 1.00 0.00 C +ATOM 11 CA GLU A 11 264.438 254.825 253.475 1.00 0.00 C +ATOM 12 CA ILE A 12 266.275 256.849 256.130 1.00 0.00 C +ATOM 13 CA VAL A 13 267.229 255.028 259.338 1.00 0.00 C +ATOM 14 CA PRO A 14 264.358 252.592 259.921 1.00 0.00 C +ATOM 15 CA PRO A 15 263.592 249.386 261.831 1.00 0.00 C +ATOM 16 CA SER A 16 263.546 249.904 265.605 1.00 0.00 C +ATOM 17 CA ARG A 17 262.863 246.917 267.870 1.00 0.00 C +ATOM 18 CA ASN A 18 260.205 244.480 269.098 1.00 0.00 C +ATOM 19 CA LYS A 19 258.552 245.503 272.375 1.00 0.00 C +ATOM 20 CA SER A 20 257.389 248.673 274.140 1.00 0.00 C +ATOM 21 CA SER A 21 257.528 248.355 277.934 1.00 0.00 C +ATOM 22 CA GLN A 22 254.863 250.493 279.622 1.00 0.00 C +ATOM 23 CA LYS A 23 251.991 248.302 280.833 1.00 0.00 C +ATOM 24 CA SER A 24 248.841 250.345 281.483 1.00 0.00 C +ATOM 25 CA HIS A 25 246.596 250.667 278.421 1.00 0.00 C +ATOM 26 CA HIS A 26 245.291 249.005 275.251 1.00 0.00 C +ATOM 27 CA SER A 27 242.851 246.115 274.791 1.00 0.00 C +ATOM 28 CA GLN A 28 241.618 246.392 271.197 1.00 0.00 C +ATOM 29 CA THR A 29 244.197 245.731 268.471 1.00 0.00 C +ATOM 30 CA SER A 30 247.739 244.417 267.979 1.00 0.00 C +ATOM 31 CA SER A 31 248.865 241.561 265.723 1.00 0.00 C +ATOM 32 CA TYR A 32 249.319 242.885 262.179 1.00 0.00 C +ATOM 33 CA SER A 33 248.512 246.588 261.788 1.00 0.00 C +ATOM 34 CA SER A 34 246.637 249.806 260.984 1.00 0.00 C +ATOM 35 CA ASN A 35 243.076 250.894 260.176 1.00 0.00 C +ATOM 36 CA CYS A 36 240.302 251.740 257.705 1.00 0.00 C +ATOM 37 CA SER A 37 238.575 248.706 256.178 1.00 0.00 C +ATOM 38 CA THR A 38 237.986 248.000 252.481 1.00 0.00 C +ATOM 39 CA SER A 39 238.348 246.011 249.252 1.00 0.00 C +ATOM 40 CA SER A 40 241.807 246.260 247.674 1.00 0.00 C +ATOM 41 CA ASN A 41 242.312 243.604 244.989 1.00 0.00 C +ATOM 42 CA THR A 42 241.997 239.876 245.709 1.00 0.00 C +ATOM 43 CA ILE A 43 239.608 237.080 246.703 1.00 0.00 C +ATOM 44 CA SER A 44 237.595 236.593 249.901 1.00 0.00 C +ATOM 45 CA ARG A 45 239.022 238.655 252.769 1.00 0.00 C +ATOM 46 CA SER A 46 240.630 241.899 253.956 1.00 0.00 C +ATOM 47 CA LEU A 47 244.329 241.447 253.162 1.00 0.00 C +ATOM 48 CA SER A 48 245.284 238.162 251.486 1.00 0.00 C +ATOM 49 CA SER A 49 246.119 234.645 250.282 1.00 0.00 C +ATOM 50 CA SER A 50 244.466 232.117 247.959 1.00 0.00 C +ATOM 51 CA SER A 51 247.161 229.819 246.554 1.00 0.00 C +ATOM 52 CA ALA A 52 248.850 226.584 245.459 1.00 0.00 C +ATOM 53 CA SER A 53 251.816 224.507 244.273 1.00 0.00 C +ATOM 54 CA ASP A 54 255.466 224.321 245.347 1.00 0.00 C +ATOM 55 CA GLU A 55 258.434 225.703 243.398 1.00 0.00 C +ATOM 56 CA TRP A 56 258.554 229.277 242.083 1.00 0.00 C +ATOM 57 CA SER A 57 258.131 232.933 243.069 1.00 0.00 C +ATOM 58 CA TYR A 58 255.336 235.225 241.863 1.00 0.00 C +ATOM 59 CA GLU A 59 251.778 236.126 242.885 1.00 0.00 C +ATOM 60 CA PRO A 60 248.078 235.595 243.622 1.00 0.00 C +ATOM 61 CA ALA A 61 244.945 235.667 241.455 1.00 0.00 C +ATOM 62 CA SER A 62 243.064 238.342 239.500 1.00 0.00 C +ATOM 63 CA TYR A 63 245.543 240.978 238.307 1.00 0.00 C +ATOM 64 CA SER A 64 248.167 243.016 240.172 1.00 0.00 C +ATOM 65 CA ASN A 65 247.235 246.659 239.557 1.00 0.00 C +ATOM 66 CA LYS A 66 244.248 246.813 237.197 1.00 0.00 C +ATOM 67 CA GLU A 67 241.942 244.609 235.113 1.00 0.00 C +ATOM 68 CA LYS A 68 239.328 244.893 232.356 1.00 0.00 C +ATOM 69 CA ASN A 69 238.032 248.136 230.834 1.00 0.00 C +ATOM 70 CA ALA A 70 234.355 248.885 231.495 1.00 0.00 C +ATOM 71 CA HIS A 71 233.013 252.402 232.086 1.00 0.00 C +ATOM 72 CA ASN A 72 233.379 255.186 234.662 1.00 0.00 C +ATOM 73 CA SER A 73 233.488 256.540 238.221 1.00 0.00 C +ATOM 74 CA ASN A 74 233.406 256.599 242.030 1.00 0.00 C +ATOM 75 CA THR A 75 234.420 255.053 245.361 1.00 0.00 C +ATOM 76 CA TYR A 76 236.657 256.282 248.190 1.00 0.00 C +ATOM 77 CA HIS A 77 240.252 255.114 248.668 1.00 0.00 C +ATOM 78 CA THR A 78 242.871 252.358 248.919 1.00 0.00 C +ATOM 79 CA TRP A 79 246.014 253.505 247.098 1.00 0.00 C +ATOM 80 CA GLU A 80 245.103 254.077 243.444 1.00 0.00 C +ATOM 81 CA ALA A 81 244.738 257.023 241.054 1.00 0.00 C +ATOM 82 CA LYS A 82 242.262 258.345 238.478 1.00 0.00 C +ATOM 83 CA GLY A 83 242.859 261.578 236.553 1.00 0.00 C +ATOM 84 CA PRO A 84 245.709 263.710 237.913 1.00 0.00 C +ATOM 85 CA ASN A 85 248.066 266.685 238.243 1.00 0.00 C +ATOM 86 CA LYS A 86 250.009 269.512 236.585 1.00 0.00 C +ATOM 87 CA ASN A 87 252.497 271.024 234.127 1.00 0.00 C +ATOM 88 CA TYR A 88 256.292 270.997 233.785 1.00 0.00 C +ATOM 89 CA SER A 89 258.119 269.609 236.827 1.00 0.00 C +ATOM 90 CA GLY A 90 261.845 268.820 236.712 1.00 0.00 C +ATOM 91 CA ASN A 91 265.515 269.839 236.821 1.00 0.00 C +ATOM 92 CA SER A 92 266.980 270.929 240.165 1.00 0.00 C +ATOM 93 CA GLU A 93 269.767 271.372 242.725 1.00 0.00 C +ATOM 94 CA LEU A 94 272.596 270.286 245.034 1.00 0.00 C +ATOM 95 CA SER A 95 274.020 268.640 248.162 1.00 0.00 C +ATOM 96 CA LYS A 96 275.652 266.755 251.042 1.00 0.00 C +ATOM 97 CA LEU A 97 275.031 267.650 254.694 1.00 0.00 C +TER 98 LEU A 97 +END diff --git a/Fungi/A0A5B0LKN6/A0A5B0LKN6.dcd b/Fungi/A0A5B0LKN6/A0A5B0LKN6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..03d6d14a31bda4f6bbc3ec0615a5e581e4e3572b --- /dev/null +++ b/Fungi/A0A5B0LKN6/A0A5B0LKN6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4d25929c79b0b0b06f3d6bdd4ebc01788e68d073a0a9fd82ca34bdeeab4affe6 +size 9920276 diff --git a/Fungi/A0A5B0LKN6/top.pdb b/Fungi/A0A5B0LKN6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c01d6363f147c642937618a27cf82e83db83f2d3 --- /dev/null +++ b/Fungi/A0A5B0LKN6/top.pdb @@ -0,0 +1,80 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 304.868 255.194 238.160 1.00 0.00 C +ATOM 2 CA ASP A 2 306.994 258.355 238.236 1.00 0.00 C +ATOM 3 CA ARG A 3 306.005 261.260 240.494 1.00 0.00 C +ATOM 4 CA PHE A 4 305.230 261.154 244.223 1.00 0.00 C +ATOM 5 CA GLY A 5 304.045 258.833 247.003 1.00 0.00 C +ATOM 6 CA LYS A 6 303.434 257.171 250.376 1.00 0.00 C +ATOM 7 CA ALA A 7 299.839 256.424 251.392 1.00 0.00 C +ATOM 8 CA GLU A 8 297.313 254.879 253.790 1.00 0.00 C +ATOM 9 CA GLY A 9 295.131 255.366 256.875 1.00 0.00 C +ATOM 10 CA SER A 10 293.258 257.306 259.566 1.00 0.00 C +ATOM 11 CA ALA A 11 290.398 259.822 259.451 1.00 0.00 C +ATOM 12 CA LYS A 12 288.176 261.824 257.092 1.00 0.00 C +ATOM 13 CA SER A 13 285.348 264.278 256.384 1.00 0.00 C +ATOM 14 CA VAL A 14 281.630 265.105 256.480 1.00 0.00 C +ATOM 15 CA THR A 15 278.449 266.146 254.660 1.00 0.00 C +ATOM 16 CA SER A 16 274.678 266.235 255.194 1.00 0.00 C +ATOM 17 CA ALA A 17 272.682 266.692 258.407 1.00 0.00 C +ATOM 18 CA ILE A 18 269.263 267.864 259.613 1.00 0.00 C +ATOM 19 CA ASN A 19 266.061 265.912 258.939 1.00 0.00 C +ATOM 20 CA LYS A 20 262.910 264.135 257.745 1.00 0.00 C +ATOM 21 CA GLU A 21 261.417 262.799 254.504 1.00 0.00 C +ATOM 22 CA GLN A 22 258.550 260.361 255.091 1.00 0.00 C +ATOM 23 CA GLY A 23 255.644 259.002 257.147 1.00 0.00 C +ATOM 24 CA ARG A 24 255.882 255.296 258.000 1.00 0.00 C +ATOM 25 CA SER A 25 255.005 252.756 255.300 1.00 0.00 C +ATOM 26 CA GLY A 26 257.211 253.113 252.214 1.00 0.00 C +ATOM 27 CA GLU A 27 257.808 253.406 248.463 1.00 0.00 C +ATOM 28 CA ALA A 28 257.080 255.623 245.451 1.00 0.00 C +ATOM 29 CA GLU A 29 255.790 253.317 242.706 1.00 0.00 C +ATOM 30 CA MET A 30 253.890 252.044 239.659 1.00 0.00 C +ATOM 31 CA SER A 31 254.590 248.445 238.623 1.00 0.00 C +ATOM 32 CA GLU A 32 252.530 245.244 238.780 1.00 0.00 C +ATOM 33 CA GLN A 33 248.977 245.367 240.151 1.00 0.00 C +ATOM 34 CA VAL A 34 246.617 246.573 242.888 1.00 0.00 C +ATOM 35 CA ARG A 35 243.873 247.117 245.475 1.00 0.00 C +ATOM 36 CA ASN A 36 241.650 248.708 248.128 1.00 0.00 C +ATOM 37 CA TYR A 37 240.155 249.604 251.516 1.00 0.00 C +ATOM 38 CA GLU A 38 238.125 252.797 251.962 1.00 0.00 C +ATOM 39 CA ALA A 39 236.606 256.023 250.620 1.00 0.00 C +ATOM 40 CA GLY A 40 235.145 259.019 248.773 1.00 0.00 C +ATOM 41 CA LYS A 41 233.018 260.934 246.258 1.00 0.00 C +ATOM 42 CA GLN A 42 229.289 261.713 246.281 1.00 0.00 C +ATOM 43 CA ASP A 43 225.994 261.298 248.150 1.00 0.00 C +ATOM 44 CA ALA A 44 223.532 259.709 245.714 1.00 0.00 C +ATOM 45 CA ALA A 45 219.932 258.605 246.293 1.00 0.00 C +ATOM 46 CA ARG A 46 218.111 257.151 249.307 1.00 0.00 C +ATOM 47 CA SER A 47 216.191 254.382 251.086 1.00 0.00 C +ATOM 48 CA ASP A 48 216.599 251.104 252.984 1.00 0.00 C +ATOM 49 CA GLN A 49 215.964 248.263 250.525 1.00 0.00 C +ATOM 50 CA GLU A 50 218.899 245.859 250.871 1.00 0.00 C +ATOM 51 CA GLU A 51 220.165 245.320 254.424 1.00 0.00 C +ATOM 52 CA GLN A 52 222.836 244.569 257.035 1.00 0.00 C +ATOM 53 CA GLN A 53 225.280 245.831 259.671 1.00 0.00 C +ATOM 54 CA TYR A 54 223.234 247.450 262.447 1.00 0.00 C +ATOM 55 CA LYS A 55 220.796 245.446 264.581 1.00 0.00 C +ATOM 56 CA SER A 56 218.055 243.776 262.527 1.00 0.00 C +ATOM 57 CA ASN A 57 219.623 240.841 260.673 1.00 0.00 C +ATOM 58 CA TRP A 58 217.773 237.569 260.050 1.00 0.00 C +ATOM 59 CA SER A 59 217.388 237.153 256.282 1.00 0.00 C +ATOM 60 CA PHE A 60 220.684 238.321 254.771 1.00 0.00 C +ATOM 61 CA LEU A 61 222.046 237.002 251.465 1.00 0.00 C +ATOM 62 CA GLN A 62 224.125 234.691 249.264 1.00 0.00 C +ATOM 63 CA ALA A 63 227.808 234.127 250.061 1.00 0.00 C +ATOM 64 CA THR A 64 231.541 234.123 249.300 1.00 0.00 C +ATOM 65 CA GLY A 65 232.791 231.153 247.267 1.00 0.00 C +ATOM 66 CA TYR A 66 232.858 228.358 244.679 1.00 0.00 C +ATOM 67 CA LYS A 67 236.254 227.851 243.027 1.00 0.00 C +ATOM 68 CA PRO A 68 237.420 224.999 240.787 1.00 0.00 C +ATOM 69 CA GLY A 69 240.269 226.116 238.517 1.00 0.00 C +ATOM 70 CA SER A 70 242.254 229.361 238.719 1.00 0.00 C +ATOM 71 CA SER A 71 243.933 232.706 238.004 1.00 0.00 C +ATOM 72 CA GLY A 72 243.911 236.467 237.395 1.00 0.00 C +ATOM 73 CA ARG A 73 243.923 239.840 239.167 1.00 0.00 C +ATOM 74 CA GLY A 74 244.086 240.925 242.816 1.00 0.00 C +ATOM 75 CA ASN A 75 241.464 239.863 245.368 1.00 0.00 C +ATOM 76 CA LYS A 76 239.698 236.553 244.703 1.00 0.00 C +TER 77 LYS A 76 +END diff --git a/Fungi/A0A5B0NAN2/A0A5B0NAN2.dcd b/Fungi/A0A5B0NAN2/A0A5B0NAN2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..12c123d8137275b55d6350457756d32acb67bb7b --- /dev/null +++ b/Fungi/A0A5B0NAN2/A0A5B0NAN2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:597e4a3e422e01e93567c68377ce6a11e005911b6f30960b010b38766cb539af +size 8480276 diff --git a/Fungi/A0A5B0NAN2/top.pdb b/Fungi/A0A5B0NAN2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9ae32930386239d6190f06b6b08516018ee0e5d9 --- /dev/null +++ b/Fungi/A0A5B0NAN2/top.pdb @@ -0,0 +1,68 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 239.700 262.573 260.867 1.00 0.00 C +ATOM 2 CA LYS A 2 238.634 260.460 263.853 1.00 0.00 C +ATOM 3 CA GLU A 3 235.122 261.542 264.858 1.00 0.00 C +ATOM 4 CA SER A 4 232.234 260.200 262.767 1.00 0.00 C +ATOM 5 CA THR A 5 229.756 259.438 259.975 1.00 0.00 C +ATOM 6 CA ARG A 6 228.749 259.849 256.323 1.00 0.00 C +ATOM 7 CA PRO A 7 226.113 258.659 253.843 1.00 0.00 C +ATOM 8 CA ALA A 8 222.756 260.436 254.130 1.00 0.00 C +ATOM 9 CA ALA A 9 220.999 259.868 257.463 1.00 0.00 C +ATOM 10 CA GLN A 10 219.067 256.814 258.670 1.00 0.00 C +ATOM 11 CA HIS A 11 217.798 253.643 256.982 1.00 0.00 C +ATOM 12 CA SER A 12 220.311 250.926 256.077 1.00 0.00 C +ATOM 13 CA ASN A 13 223.383 250.831 253.825 1.00 0.00 C +ATOM 14 CA TRP A 14 225.507 247.864 252.728 1.00 0.00 C +ATOM 15 CA GLN A 15 228.804 249.424 251.629 1.00 0.00 C +ATOM 16 CA PRO A 16 230.668 249.754 248.323 1.00 0.00 C +ATOM 17 CA ALA A 17 231.136 250.737 244.672 1.00 0.00 C +ATOM 18 CA LEU A 18 231.556 253.922 242.623 1.00 0.00 C +ATOM 19 CA GLN A 19 233.259 255.855 239.817 1.00 0.00 C +ATOM 20 CA SER A 20 235.470 258.956 239.922 1.00 0.00 C +ATOM 21 CA GLU A 21 238.034 260.041 242.522 1.00 0.00 C +ATOM 22 CA HIS A 22 241.092 259.351 244.687 1.00 0.00 C +ATOM 23 CA GLN A 23 241.994 259.617 248.379 1.00 0.00 C +ATOM 24 CA LEU A 24 244.849 260.898 250.553 1.00 0.00 C +ATOM 25 CA HIS A 25 248.590 261.449 250.086 1.00 0.00 C +ATOM 26 CA LEU A 26 251.158 258.815 251.078 1.00 0.00 C +ATOM 27 CA ASN A 27 253.361 255.752 251.607 1.00 0.00 C +ATOM 28 CA PHE A 28 253.990 253.206 248.843 1.00 0.00 C +ATOM 29 CA ALA A 29 256.598 250.644 247.771 1.00 0.00 C +ATOM 30 CA PRO A 30 255.762 247.856 245.312 1.00 0.00 C +ATOM 31 CA GLU A 31 253.590 248.607 242.274 1.00 0.00 C +ATOM 32 CA PRO A 32 254.903 251.832 240.727 1.00 0.00 C +ATOM 33 CA LYS A 33 258.166 251.998 238.769 1.00 0.00 C +ATOM 34 CA PHE A 34 261.029 254.501 239.013 1.00 0.00 C +ATOM 35 CA ARG A 35 263.408 253.579 236.184 1.00 0.00 C +ATOM 36 CA LYS A 36 266.393 251.220 235.972 1.00 0.00 C +ATOM 37 CA SER A 37 268.742 248.730 237.645 1.00 0.00 C +ATOM 38 CA PRO A 38 271.213 250.879 239.591 1.00 0.00 C +ATOM 39 CA PRO A 39 273.629 248.695 241.568 1.00 0.00 C +ATOM 40 CA SER A 40 275.057 249.631 244.974 1.00 0.00 C +ATOM 41 CA PRO A 41 275.633 246.532 247.115 1.00 0.00 C +ATOM 42 CA ARG A 42 278.810 244.499 246.579 1.00 0.00 C +ATOM 43 CA SER A 43 278.173 242.029 243.750 1.00 0.00 C +ATOM 44 CA SER A 44 280.276 241.075 240.719 1.00 0.00 C +ATOM 45 CA THR A 45 279.985 239.159 237.439 1.00 0.00 C +ATOM 46 CA GLU A 46 276.429 237.824 237.149 1.00 0.00 C +ATOM 47 CA HIS A 47 273.101 239.574 237.769 1.00 0.00 C +ATOM 48 CA PRO A 48 269.384 239.827 238.565 1.00 0.00 C +ATOM 49 CA THR A 49 267.491 241.760 241.248 1.00 0.00 C +ATOM 50 CA ARG A 50 266.714 241.892 244.976 1.00 0.00 C +ATOM 51 CA ALA A 51 264.127 243.867 246.956 1.00 0.00 C +ATOM 52 CA HIS A 52 261.759 244.242 249.917 1.00 0.00 C +ATOM 53 CA PRO A 53 260.895 244.327 253.627 1.00 0.00 C +ATOM 54 CA SER A 54 259.207 247.644 254.440 1.00 0.00 C +ATOM 55 CA THR A 55 256.744 250.400 255.366 1.00 0.00 C +ATOM 56 CA PRO A 56 254.148 250.141 258.143 1.00 0.00 C +ATOM 57 CA MET A 57 250.887 248.172 258.061 1.00 0.00 C +ATOM 58 CA TRP A 58 249.947 245.561 260.671 1.00 0.00 C +ATOM 59 CA MET A 59 248.774 242.399 262.444 1.00 0.00 C +ATOM 60 CA MET A 60 249.375 239.890 265.248 1.00 0.00 C +ATOM 61 CA MET A 61 247.363 237.095 266.878 1.00 0.00 C +ATOM 62 CA VAL A 62 247.742 233.958 264.749 1.00 0.00 C +ATOM 63 CA GLY A 63 249.436 231.038 266.514 1.00 0.00 C +ATOM 64 CA SER A 64 251.018 228.039 264.776 1.00 0.00 C +TER 65 SER A 64 +END diff --git a/Fungi/A0A5B0NGM7/A0A5B0NGM7.dcd b/Fungi/A0A5B0NGM7/A0A5B0NGM7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8f2172814990af78a58aa7598f17c90f7216601a --- /dev/null +++ b/Fungi/A0A5B0NGM7/A0A5B0NGM7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e5245bfaf58c437d6ef11f69b5341567b4c253f5d522519aaaffb17df6dac0dc +size 13880276 diff --git a/Fungi/A0A5B0NGM7/top.pdb b/Fungi/A0A5B0NGM7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..568b925ae4933f1cb8b6fec679d1ee3bfaac5c2c --- /dev/null +++ b/Fungi/A0A5B0NGM7/top.pdb @@ -0,0 +1,113 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 224.523 247.053 282.243 1.00 0.00 C +ATOM 2 CA VAL A 2 226.810 244.107 281.467 1.00 0.00 C +ATOM 3 CA ASP A 3 229.191 241.676 279.753 1.00 0.00 C +ATOM 4 CA GLN A 4 230.995 238.592 281.076 1.00 0.00 C +ATOM 5 CA HIS A 5 230.766 235.060 279.665 1.00 0.00 C +ATOM 6 CA HIS A 6 231.830 233.736 276.255 1.00 0.00 C +ATOM 7 CA LEU A 7 229.166 232.203 274.004 1.00 0.00 C +ATOM 8 CA SER A 8 230.280 230.811 270.637 1.00 0.00 C +ATOM 9 CA SER A 9 227.649 230.297 267.930 1.00 0.00 C +ATOM 10 CA GLY A 10 225.363 232.499 265.822 1.00 0.00 C +ATOM 11 CA GLY A 11 223.466 230.450 263.230 1.00 0.00 C +ATOM 12 CA LEU A 12 224.472 228.598 260.056 1.00 0.00 C +ATOM 13 CA PRO A 13 222.883 225.367 258.811 1.00 0.00 C +ATOM 14 CA ASN A 14 222.769 222.758 261.586 1.00 0.00 C +ATOM 15 CA ALA A 15 224.842 219.574 261.878 1.00 0.00 C +ATOM 16 CA PRO A 16 227.231 216.797 260.833 1.00 0.00 C +ATOM 17 CA ASN A 17 228.374 213.977 258.540 1.00 0.00 C +ATOM 18 CA ASN A 18 231.697 212.141 258.861 1.00 0.00 C +ATOM 19 CA GLU A 19 234.372 211.316 261.445 1.00 0.00 C +ATOM 20 CA PRO A 20 237.445 212.551 263.329 1.00 0.00 C +ATOM 21 CA SER A 21 236.181 214.768 266.158 1.00 0.00 C +ATOM 22 CA ASN A 22 237.115 214.801 269.851 1.00 0.00 C +ATOM 23 CA LEU A 23 237.855 216.588 273.134 1.00 0.00 C +ATOM 24 CA TRP A 24 235.596 215.447 275.983 1.00 0.00 C +ATOM 25 CA ILE A 25 236.797 216.173 279.525 1.00 0.00 C +ATOM 26 CA ARG A 26 236.112 218.224 282.662 1.00 0.00 C +ATOM 27 CA ARG A 27 232.360 218.802 282.986 1.00 0.00 C +ATOM 28 CA THR A 28 228.614 218.111 282.929 1.00 0.00 C +ATOM 29 CA PRO A 29 227.202 214.761 281.786 1.00 0.00 C +ATOM 30 CA ASN A 30 224.300 212.900 280.165 1.00 0.00 C +ATOM 31 CA GLY A 31 224.031 213.270 276.383 1.00 0.00 C +ATOM 32 CA PRO A 32 222.825 216.321 274.446 1.00 0.00 C +ATOM 33 CA HIS A 33 223.626 218.447 271.387 1.00 0.00 C +ATOM 34 CA VAL A 34 224.726 219.709 267.965 1.00 0.00 C +ATOM 35 CA ALA A 35 227.135 222.566 268.704 1.00 0.00 C +ATOM 36 CA PRO A 36 230.759 221.566 268.087 1.00 0.00 C +ATOM 37 CA LEU A 37 234.373 220.579 267.393 1.00 0.00 C +ATOM 38 CA ASN A 38 237.801 221.395 265.945 1.00 0.00 C +ATOM 39 CA GLN A 39 238.108 225.076 265.009 1.00 0.00 C +ATOM 40 CA ALA A 40 237.200 227.089 268.114 1.00 0.00 C +ATOM 41 CA LYS A 41 239.629 226.308 270.943 1.00 0.00 C +ATOM 42 CA ARG A 42 243.336 225.923 270.152 1.00 0.00 C +ATOM 43 CA GLY A 43 245.715 228.296 268.354 1.00 0.00 C +ATOM 44 CA ALA A 44 249.449 228.253 267.603 1.00 0.00 C +ATOM 45 CA SER A 45 251.481 231.135 266.160 1.00 0.00 C +ATOM 46 CA PRO A 46 251.771 234.194 263.906 1.00 0.00 C +ATOM 47 CA PRO A 47 253.798 237.417 263.784 1.00 0.00 C +ATOM 48 CA SER A 48 255.522 239.662 261.233 1.00 0.00 C +ATOM 49 CA ASN A 49 258.922 241.225 260.514 1.00 0.00 C +ATOM 50 CA ASP A 50 260.780 242.622 257.495 1.00 0.00 C +ATOM 51 CA CYS A 51 264.390 241.455 257.151 1.00 0.00 C +ATOM 52 CA LYS A 52 266.157 242.053 253.829 1.00 0.00 C +ATOM 53 CA PRO A 53 267.535 245.185 252.154 1.00 0.00 C +ATOM 54 CA ASN A 54 271.275 245.502 251.496 1.00 0.00 C +ATOM 55 CA VAL A 55 274.024 243.154 250.293 1.00 0.00 C +ATOM 56 CA ARG A 56 277.179 243.740 248.240 1.00 0.00 C +ATOM 57 CA PRO A 57 280.030 245.962 249.445 1.00 0.00 C +ATOM 58 CA LYS A 58 283.828 246.261 249.515 1.00 0.00 C +ATOM 59 CA ASN A 59 285.638 249.599 249.821 1.00 0.00 C +ATOM 60 CA VAL A 60 283.525 252.713 250.419 1.00 0.00 C +ATOM 61 CA ALA A 61 279.768 252.807 249.797 1.00 0.00 C +ATOM 62 CA PRO A 62 275.972 252.834 249.465 1.00 0.00 C +ATOM 63 CA ILE A 63 273.870 254.336 246.665 1.00 0.00 C +ATOM 64 CA PRO A 64 274.414 257.305 244.340 1.00 0.00 C +ATOM 65 CA ALA A 65 271.508 259.735 243.927 1.00 0.00 C +ATOM 66 CA GLN A 66 267.784 260.068 243.195 1.00 0.00 C +ATOM 67 CA GLU A 67 265.683 260.665 240.073 1.00 0.00 C +ATOM 68 CA PRO A 68 261.903 260.899 239.664 1.00 0.00 C +ATOM 69 CA PRO A 69 259.562 258.033 238.759 1.00 0.00 C +ATOM 70 CA LEU A 70 258.109 257.430 235.289 1.00 0.00 C +ATOM 71 CA THR A 71 256.412 256.176 232.116 1.00 0.00 C +ATOM 72 CA ARG A 72 252.625 256.510 231.860 1.00 0.00 C +ATOM 73 CA THR A 73 250.852 259.809 232.555 1.00 0.00 C +ATOM 74 CA ASN A 74 252.803 262.948 231.630 1.00 0.00 C +ATOM 75 CA TRP A 75 256.293 264.160 232.561 1.00 0.00 C +ATOM 76 CA MET A 76 259.342 266.045 231.269 1.00 0.00 C +ATOM 77 CA ASN A 77 260.637 268.205 234.127 1.00 0.00 C +ATOM 78 CA GLN A 78 260.414 269.742 237.606 1.00 0.00 C +ATOM 79 CA ALA A 79 259.924 273.249 239.011 1.00 0.00 C +ATOM 80 CA SER A 80 256.271 274.219 238.534 1.00 0.00 C +ATOM 81 CA GLN A 81 253.166 274.112 236.327 1.00 0.00 C +ATOM 82 CA VAL A 82 252.396 271.486 233.677 1.00 0.00 C +ATOM 83 CA ALA A 83 250.603 272.945 230.648 1.00 0.00 C +ATOM 84 CA PRO A 84 250.642 273.498 226.879 1.00 0.00 C +ATOM 85 CA ASP A 85 250.162 276.083 224.121 1.00 0.00 C +ATOM 86 CA PRO A 86 248.205 279.341 224.385 1.00 0.00 C +ATOM 87 CA LEU A 87 246.178 282.163 222.823 1.00 0.00 C +ATOM 88 CA PRO A 88 247.765 282.764 219.411 1.00 0.00 C +ATOM 89 CA THR A 89 249.951 285.652 218.230 1.00 0.00 C +ATOM 90 CA PRO A 90 250.479 289.275 217.175 1.00 0.00 C +ATOM 91 CA GLN A 91 252.222 292.618 217.724 1.00 0.00 C +ATOM 92 CA PRO A 92 255.214 294.892 218.347 1.00 0.00 C +ATOM 93 CA ASN A 93 258.772 294.512 219.657 1.00 0.00 C +ATOM 94 CA TRP A 94 261.223 293.745 216.843 1.00 0.00 C +ATOM 95 CA ILE A 95 264.476 292.344 218.247 1.00 0.00 C +ATOM 96 CA PRO A 96 268.059 293.438 217.553 1.00 0.00 C +ATOM 97 CA GLN A 97 271.508 291.851 217.878 1.00 0.00 C +ATOM 98 CA GLY A 98 274.270 290.753 220.261 1.00 0.00 C +ATOM 99 CA GLN A 99 273.849 289.638 223.880 1.00 0.00 C +ATOM 100 CA ARG A 100 275.685 291.171 226.846 1.00 0.00 C +ATOM 101 CA PRO A 101 273.765 291.900 230.055 1.00 0.00 C +ATOM 102 CA ASN A 102 270.055 291.710 230.903 1.00 0.00 C +ATOM 103 CA GLY A 103 266.649 290.157 231.609 1.00 0.00 C +ATOM 104 CA PRO A 104 264.223 288.377 229.271 1.00 0.00 C +ATOM 105 CA ALA A 105 264.408 285.755 226.513 1.00 0.00 C +ATOM 106 CA ALA A 106 261.242 285.187 224.471 1.00 0.00 C +ATOM 107 CA SER A 107 260.389 287.842 221.875 1.00 0.00 C +ATOM 108 CA PRO A 108 258.886 287.364 218.407 1.00 0.00 C +ATOM 109 CA CYS A 109 260.589 287.442 215.000 1.00 0.00 C +TER 110 CYS A 109 +END diff --git a/Fungi/A0A5B0QYC8/A0A5B0QYC8.dcd b/Fungi/A0A5B0QYC8/A0A5B0QYC8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c4b2b02a0c907dbb87f08d164fd5688caf16ce1f --- /dev/null +++ b/Fungi/A0A5B0QYC8/A0A5B0QYC8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dde832b5234a3f3ef3580db304caea06b1cf1229cab70bb9eadae6e1e1245d06 +size 18440276 diff --git a/Fungi/A0A5B0QYC8/top.pdb b/Fungi/A0A5B0QYC8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..bc641348dc3c26b0e0a290cf5e43c67b3bf60249 --- /dev/null +++ b/Fungi/A0A5B0QYC8/top.pdb @@ -0,0 +1,151 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 216.397 270.690 263.114 1.00 0.00 C +ATOM 2 CA MET A 2 219.003 270.041 260.411 1.00 0.00 C +ATOM 3 CA SER A 3 221.559 267.712 258.811 1.00 0.00 C +ATOM 4 CA GLU A 4 222.983 268.003 255.289 1.00 0.00 C +ATOM 5 CA SER A 5 225.156 266.661 252.462 1.00 0.00 C +ATOM 6 CA PHE A 6 228.192 268.943 252.152 1.00 0.00 C +ATOM 7 CA TRP A 7 231.449 270.836 252.722 1.00 0.00 C +ATOM 8 CA SER A 8 232.843 271.682 249.279 1.00 0.00 C +ATOM 9 CA GLY A 9 231.433 269.812 246.274 1.00 0.00 C +ATOM 10 CA GLN A 10 228.880 269.469 243.466 1.00 0.00 C +ATOM 11 CA GLN A 11 225.614 267.519 243.254 1.00 0.00 C +ATOM 12 CA SER A 12 224.518 264.795 240.826 1.00 0.00 C +ATOM 13 CA THR A 13 221.570 262.498 241.566 1.00 0.00 C +ATOM 14 CA VAL A 14 220.984 258.800 240.859 1.00 0.00 C +ATOM 15 CA GLY A 15 223.054 257.028 238.196 1.00 0.00 C +ATOM 16 CA GLY A 16 226.258 255.354 239.400 1.00 0.00 C +ATOM 17 CA THR A 17 228.134 252.136 238.600 1.00 0.00 C +ATOM 18 CA ILE A 18 230.692 249.835 240.236 1.00 0.00 C +ATOM 19 CA SER A 19 230.421 248.062 243.597 1.00 0.00 C +ATOM 20 CA ALA A 20 230.329 244.525 245.010 1.00 0.00 C +ATOM 21 CA GLY A 21 230.282 240.987 246.423 1.00 0.00 C +ATOM 22 CA SER A 22 231.075 237.409 247.465 1.00 0.00 C +ATOM 23 CA VAL A 23 230.391 233.747 248.263 1.00 0.00 C +ATOM 24 CA SER A 24 231.367 230.348 249.682 1.00 0.00 C +ATOM 25 CA ARG A 25 232.042 227.638 247.090 1.00 0.00 C +ATOM 26 CA MET A 26 233.085 224.156 245.948 1.00 0.00 C +ATOM 27 CA SER A 27 232.511 223.882 242.192 1.00 0.00 C +ATOM 28 CA GLN A 28 229.903 225.952 240.340 1.00 0.00 C +ATOM 29 CA PHE A 29 228.722 229.459 239.432 1.00 0.00 C +ATOM 30 CA TYR A 30 228.301 233.025 240.705 1.00 0.00 C +ATOM 31 CA ARG A 31 229.179 235.338 237.807 1.00 0.00 C +ATOM 32 CA GLY A 32 228.194 238.590 236.084 1.00 0.00 C +ATOM 33 CA THR A 33 229.917 241.586 237.689 1.00 0.00 C +ATOM 34 CA TYR A 34 233.030 243.779 237.582 1.00 0.00 C +ATOM 35 CA ASP A 35 235.573 242.655 240.187 1.00 0.00 C +ATOM 36 CA PRO A 36 234.438 239.286 241.558 1.00 0.00 C +ATOM 37 CA ASP A 37 237.465 237.526 243.061 1.00 0.00 C +ATOM 38 CA PRO A 38 237.699 233.742 243.441 1.00 0.00 C +ATOM 39 CA LYS A 39 238.514 232.330 239.998 1.00 0.00 C +ATOM 40 CA GLY A 40 238.542 231.108 236.389 1.00 0.00 C +ATOM 41 CA CYS A 41 240.685 233.578 234.432 1.00 0.00 C +ATOM 42 CA SER A 42 244.366 233.462 233.457 1.00 0.00 C +ATOM 43 CA LEU A 43 247.426 233.542 231.189 1.00 0.00 C +ATOM 44 CA SER A 44 250.473 233.224 233.455 1.00 0.00 C +ATOM 45 CA PRO A 45 250.960 234.689 236.938 1.00 0.00 C +ATOM 46 CA SER A 46 250.919 236.818 240.097 1.00 0.00 C +ATOM 47 CA SER A 47 249.431 235.537 243.362 1.00 0.00 C +ATOM 48 CA PHE A 48 252.063 233.892 245.572 1.00 0.00 C +ATOM 49 CA ARG A 49 255.548 233.376 247.024 1.00 0.00 C +ATOM 50 CA LEU A 50 258.950 233.385 248.740 1.00 0.00 C +ATOM 51 CA ASP A 51 260.608 236.777 248.226 1.00 0.00 C +ATOM 52 CA ASP A 52 260.333 239.591 245.672 1.00 0.00 C +ATOM 53 CA MET A 53 259.317 242.118 243.008 1.00 0.00 C +ATOM 54 CA PRO A 54 258.403 245.461 244.590 1.00 0.00 C +ATOM 55 CA SER A 55 255.269 246.770 246.315 1.00 0.00 C +ATOM 56 CA LEU A 56 254.164 250.416 246.314 1.00 0.00 C +ATOM 57 CA SER A 57 251.883 253.248 245.176 1.00 0.00 C +ATOM 58 CA GLN A 58 249.771 256.086 246.589 1.00 0.00 C +ATOM 59 CA LEU A 59 247.682 257.804 243.905 1.00 0.00 C +ATOM 60 CA ASP A 60 244.017 257.769 244.945 1.00 0.00 C +ATOM 61 CA ASP A 61 241.866 258.290 248.047 1.00 0.00 C +ATOM 62 CA ASN A 62 239.641 255.215 248.375 1.00 0.00 C +ATOM 63 CA THR A 63 237.632 253.461 245.654 1.00 0.00 C +ATOM 64 CA SER A 64 240.272 251.739 243.513 1.00 0.00 C +ATOM 65 CA PRO A 65 242.429 248.630 243.958 1.00 0.00 C +ATOM 66 CA ARG A 66 240.659 245.543 245.321 1.00 0.00 C +ATOM 67 CA GLN A 67 238.396 246.920 248.059 1.00 0.00 C +ATOM 68 CA PRO A 68 239.159 249.024 251.142 1.00 0.00 C +ATOM 69 CA GLY A 69 239.142 249.285 254.943 1.00 0.00 C +ATOM 70 CA ALA A 70 237.458 249.532 258.351 1.00 0.00 C +ATOM 71 CA ILE A 71 237.702 249.107 262.130 1.00 0.00 C +ATOM 72 CA ILE A 72 241.133 247.665 262.946 1.00 0.00 C +ATOM 73 CA PRO A 73 244.313 248.952 264.603 1.00 0.00 C +ATOM 74 CA PRO A 74 247.078 246.495 265.517 1.00 0.00 C +ATOM 75 CA ASP A 75 246.891 242.744 264.881 1.00 0.00 C +ATOM 76 CA SER A 76 249.270 240.004 263.718 1.00 0.00 C +ATOM 77 CA LEU A 77 251.574 236.986 263.402 1.00 0.00 C +ATOM 78 CA LEU A 78 254.188 235.983 265.986 1.00 0.00 C +ATOM 79 CA ARG A 79 257.827 235.359 266.926 1.00 0.00 C +ATOM 80 CA PRO A 80 260.814 234.510 269.132 1.00 0.00 C +ATOM 81 CA ARG A 81 260.304 234.198 272.895 1.00 0.00 C +ATOM 82 CA ARG A 82 260.033 233.326 276.594 1.00 0.00 C +ATOM 83 CA ASN A 83 258.295 231.328 279.333 1.00 0.00 C +ATOM 84 CA HIS A 84 254.543 231.968 279.513 1.00 0.00 C +ATOM 85 CA ASP A 85 252.685 235.280 279.822 1.00 0.00 C +ATOM 86 CA ALA A 86 250.470 235.990 276.804 1.00 0.00 C +ATOM 87 CA SER A 87 249.448 234.692 273.371 1.00 0.00 C +ATOM 88 CA VAL A 88 249.424 231.081 272.157 1.00 0.00 C +ATOM 89 CA THR A 89 249.842 227.411 271.220 1.00 0.00 C +ATOM 90 CA ASP A 90 251.391 224.351 272.878 1.00 0.00 C +ATOM 91 CA ALA A 91 255.058 225.192 273.482 1.00 0.00 C +ATOM 92 CA ARG A 92 257.005 227.884 271.618 1.00 0.00 C +ATOM 93 CA CYS A 93 256.965 227.377 267.842 1.00 0.00 C +ATOM 94 CA VAL A 94 259.356 228.062 264.956 1.00 0.00 C +ATOM 95 CA ARG A 95 261.599 226.283 262.443 1.00 0.00 C +ATOM 96 CA PRO A 96 265.406 226.163 262.543 1.00 0.00 C +ATOM 97 CA ARG A 97 268.704 226.575 264.404 1.00 0.00 C +ATOM 98 CA SER A 98 271.941 227.315 262.536 1.00 0.00 C +ATOM 99 CA TRP A 99 272.944 229.246 259.408 1.00 0.00 C +ATOM 100 CA ASP A 100 272.632 231.388 256.273 1.00 0.00 C +ATOM 101 CA ALA A 101 271.444 230.632 252.732 1.00 0.00 C +ATOM 102 CA THR A 102 270.516 231.701 249.195 1.00 0.00 C +ATOM 103 CA GLN A 103 271.818 233.449 246.070 1.00 0.00 C +ATOM 104 CA ALA A 104 273.754 236.675 245.471 1.00 0.00 C +ATOM 105 CA GLY A 105 271.303 239.532 246.062 1.00 0.00 C +ATOM 106 CA THR A 106 269.647 242.318 248.065 1.00 0.00 C +ATOM 107 CA GLY A 107 268.079 245.786 248.247 1.00 0.00 C +ATOM 108 CA GLN A 108 270.148 248.649 246.819 1.00 0.00 C +ATOM 109 CA ALA A 109 272.829 250.567 248.730 1.00 0.00 C +ATOM 110 CA ASP A 110 273.784 253.011 251.492 1.00 0.00 C +ATOM 111 CA PRO A 111 275.180 254.037 254.885 1.00 0.00 C +ATOM 112 CA GLU A 112 273.900 252.817 258.260 1.00 0.00 C +ATOM 113 CA TRP A 113 270.095 252.732 258.437 1.00 0.00 C +ATOM 114 CA ARG A 114 268.264 255.598 256.719 1.00 0.00 C +ATOM 115 CA PRO A 115 267.515 256.164 253.027 1.00 0.00 C +ATOM 116 CA HIS A 116 267.272 258.650 250.149 1.00 0.00 C +ATOM 117 CA ASP A 117 263.608 259.122 249.219 1.00 0.00 C +ATOM 118 CA ALA A 118 261.538 262.302 249.570 1.00 0.00 C +ATOM 119 CA TRP A 119 258.734 264.185 247.808 1.00 0.00 C +ATOM 120 CA PRO A 120 259.750 267.812 247.231 1.00 0.00 C +ATOM 121 CA GLN A 121 260.951 271.428 247.210 1.00 0.00 C +ATOM 122 CA ALA A 122 263.168 272.415 244.273 1.00 0.00 C +ATOM 123 CA GLY A 123 261.820 271.251 240.905 1.00 0.00 C +ATOM 124 CA LEU A 124 260.183 268.284 239.163 1.00 0.00 C +ATOM 125 CA MET A 125 257.675 266.086 241.006 1.00 0.00 C +ATOM 126 CA VAL A 126 254.634 264.534 242.698 1.00 0.00 C +ATOM 127 CA SER A 127 252.619 262.332 245.066 1.00 0.00 C +ATOM 128 CA PRO A 128 250.753 263.744 248.073 1.00 0.00 C +ATOM 129 CA SER A 129 250.115 265.783 251.227 1.00 0.00 C +ATOM 130 CA MET A 130 247.199 267.728 252.722 1.00 0.00 C +ATOM 131 CA PRO A 131 247.067 271.263 251.308 1.00 0.00 C +ATOM 132 CA VAL A 132 248.328 271.439 247.717 1.00 0.00 C +ATOM 133 CA GLY A 133 251.126 274.023 247.802 1.00 0.00 C +ATOM 134 CA PRO A 134 252.027 276.879 245.446 1.00 0.00 C +ATOM 135 CA MET A 135 255.349 275.851 243.890 1.00 0.00 C +ATOM 136 CA ALA A 136 258.605 277.781 243.449 1.00 0.00 C +ATOM 137 CA PRO A 137 261.966 279.299 244.407 1.00 0.00 C +ATOM 138 CA PRO A 138 264.862 281.656 245.162 1.00 0.00 C +ATOM 139 CA GLY A 139 266.190 285.227 245.152 1.00 0.00 C +ATOM 140 CA SER A 140 269.907 285.710 244.469 1.00 0.00 C +ATOM 141 CA SER A 141 271.853 286.060 241.213 1.00 0.00 C +ATOM 142 CA CYS A 142 273.745 288.964 239.629 1.00 0.00 C +ATOM 143 CA GLY A 143 277.411 289.858 239.101 1.00 0.00 C +ATOM 144 CA ARG A 144 280.847 288.405 238.330 1.00 0.00 C +ATOM 145 CA ARG A 145 283.671 286.999 236.193 1.00 0.00 C +ATOM 146 CA HIS A 146 286.167 287.056 233.315 1.00 0.00 C +ATOM 147 CA ALA A 147 285.128 289.168 230.319 1.00 0.00 C +TER 148 ALA A 147 +END diff --git a/Fungi/A0A5B0SIU9/A0A5B0SIU9.dcd b/Fungi/A0A5B0SIU9/A0A5B0SIU9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..117dca7a54d36f520bea74f1371fd0a84a670efa --- /dev/null +++ b/Fungi/A0A5B0SIU9/A0A5B0SIU9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a8e5f6815e3a0f16768a3647f006be1111c3e6843b5597308a7c0dfa244a1145 +size 20600276 diff --git a/Fungi/A0A5B0SIU9/top.pdb b/Fungi/A0A5B0SIU9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1c2e280ca8782f3b587bd7614a1ee63fa8658e15 --- /dev/null +++ b/Fungi/A0A5B0SIU9/top.pdb @@ -0,0 +1,169 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 233.517 240.438 302.056 1.00 0.00 C +ATOM 2 CA ALA A 2 230.552 238.924 300.203 1.00 0.00 C +ATOM 3 CA HIS A 3 227.013 239.452 298.893 1.00 0.00 C +ATOM 4 CA GLN A 4 223.693 241.287 298.540 1.00 0.00 C +ATOM 5 CA GLN A 5 220.385 240.138 300.039 1.00 0.00 C +ATOM 6 CA GLN A 6 217.085 241.123 298.409 1.00 0.00 C +ATOM 7 CA GLN A 7 214.355 241.720 295.820 1.00 0.00 C +ATOM 8 CA GLN A 8 210.748 242.324 296.890 1.00 0.00 C +ATOM 9 CA ALA A 9 210.304 242.663 300.659 1.00 0.00 C +ATOM 10 CA GLN A 10 210.797 240.483 303.744 1.00 0.00 C +ATOM 11 CA PRO A 11 207.964 241.497 306.081 1.00 0.00 C +ATOM 12 CA ALA A 12 204.298 241.004 305.168 1.00 0.00 C +ATOM 13 CA ILE A 13 202.822 240.261 301.734 1.00 0.00 C +ATOM 14 CA GLU A 14 204.923 239.515 298.645 1.00 0.00 C +ATOM 15 CA GLN A 15 203.920 237.675 295.462 1.00 0.00 C +ATOM 16 CA GLN A 16 200.317 237.583 294.229 1.00 0.00 C +ATOM 17 CA GLN A 17 199.587 239.749 291.181 1.00 0.00 C +ATOM 18 CA GLN A 18 202.151 238.775 288.536 1.00 0.00 C +ATOM 19 CA LEU A 19 203.268 237.953 284.988 1.00 0.00 C +ATOM 20 CA LYS A 20 203.111 236.049 281.692 1.00 0.00 C +ATOM 21 CA GLN A 21 202.373 236.436 277.974 1.00 0.00 C +ATOM 22 CA ASN A 22 200.061 236.070 274.968 1.00 0.00 C +ATOM 23 CA ASN A 23 199.646 237.060 271.312 1.00 0.00 C +ATOM 24 CA ASN A 24 202.613 238.533 269.430 1.00 0.00 C +ATOM 25 CA SER A 25 201.815 242.062 268.236 1.00 0.00 C +ATOM 26 CA ASN A 26 203.994 244.865 266.853 1.00 0.00 C +ATOM 27 CA THR A 27 207.446 243.390 266.201 1.00 0.00 C +ATOM 28 CA THR A 28 210.665 241.376 266.507 1.00 0.00 C +ATOM 29 CA ASN A 29 211.935 237.820 266.003 1.00 0.00 C +ATOM 30 CA ASP A 30 211.807 235.459 263.015 1.00 0.00 C +ATOM 31 CA ASN A 31 213.041 232.341 261.206 1.00 0.00 C +ATOM 32 CA ASP A 32 213.215 232.893 257.440 1.00 0.00 C +ATOM 33 CA HIS A 33 215.106 236.172 257.009 1.00 0.00 C +ATOM 34 CA HIS A 34 215.222 237.464 253.427 1.00 0.00 C +ATOM 35 CA HIS A 35 216.745 237.584 249.937 1.00 0.00 C +ATOM 36 CA HIS A 36 219.232 234.745 249.418 1.00 0.00 C +ATOM 37 CA LEU A 37 221.558 231.731 249.266 1.00 0.00 C +ATOM 38 CA SER A 38 223.497 228.595 250.227 1.00 0.00 C +ATOM 39 CA ILE A 39 227.143 228.674 251.328 1.00 0.00 C +ATOM 40 CA LYS A 40 230.137 226.831 252.798 1.00 0.00 C +ATOM 41 CA ARG A 41 232.945 229.406 252.805 1.00 0.00 C +ATOM 42 CA GLU A 42 236.016 231.470 253.712 1.00 0.00 C +ATOM 43 CA LYS A 43 239.301 233.268 254.417 1.00 0.00 C +ATOM 44 CA SER A 44 242.379 233.033 256.649 1.00 0.00 C +ATOM 45 CA MET A 45 244.277 235.144 259.190 1.00 0.00 C +ATOM 46 CA THR A 46 245.828 237.172 262.019 1.00 0.00 C +ATOM 47 CA THR A 47 249.239 236.535 263.593 1.00 0.00 C +ATOM 48 CA LEU A 48 251.672 239.398 262.965 1.00 0.00 C +ATOM 49 CA ARG A 49 250.596 241.851 260.256 1.00 0.00 C +ATOM 50 CA LYS A 50 251.542 241.024 256.659 1.00 0.00 C +ATOM 51 CA LYS A 51 252.805 243.033 253.679 1.00 0.00 C +ATOM 52 CA GLN A 52 256.041 242.180 251.856 1.00 0.00 C +ATOM 53 CA SER A 53 259.417 240.421 251.711 1.00 0.00 C +ATOM 54 CA GLN A 54 258.888 236.718 250.986 1.00 0.00 C +ATOM 55 CA ARG A 55 259.949 235.097 247.705 1.00 0.00 C +ATOM 56 CA PHE A 56 261.393 233.596 244.515 1.00 0.00 C +ATOM 57 CA THR A 57 264.850 232.593 243.266 1.00 0.00 C +ATOM 58 CA VAL A 58 264.916 230.022 240.454 1.00 0.00 C +ATOM 59 CA ALA A 59 263.866 226.751 238.807 1.00 0.00 C +ATOM 60 CA HIS A 60 262.738 223.267 239.857 1.00 0.00 C +ATOM 61 CA THR A 61 264.399 220.052 241.048 1.00 0.00 C +ATOM 62 CA SER A 62 266.209 217.765 238.596 1.00 0.00 C +ATOM 63 CA ASN A 63 269.657 216.192 238.992 1.00 0.00 C +ATOM 64 CA PRO A 64 272.393 217.690 236.805 1.00 0.00 C +ATOM 65 CA GLY A 65 270.751 219.316 233.776 1.00 0.00 C +ATOM 66 CA SER A 66 270.897 220.378 230.120 1.00 0.00 C +ATOM 67 CA SER A 67 272.559 218.245 227.436 1.00 0.00 C +ATOM 68 CA GLU A 68 272.707 217.378 223.729 1.00 0.00 C +ATOM 69 CA PRO A 69 272.583 219.284 220.432 1.00 0.00 C +ATOM 70 CA VAL A 70 275.359 220.140 217.966 1.00 0.00 C +ATOM 71 CA PRO A 71 279.106 219.532 218.295 1.00 0.00 C +ATOM 72 CA PRO A 72 282.025 219.501 215.846 1.00 0.00 C +ATOM 73 CA LEU A 73 280.990 217.915 212.540 1.00 0.00 C +ATOM 74 CA PRO A 74 277.184 217.841 212.367 1.00 0.00 C +ATOM 75 CA ASN A 75 274.992 216.010 209.846 1.00 0.00 C +ATOM 76 CA ALA A 76 272.193 213.427 209.933 1.00 0.00 C +ATOM 77 CA LEU A 77 270.614 213.337 213.399 1.00 0.00 C +ATOM 78 CA ASN A 78 269.458 216.575 215.042 1.00 0.00 C +ATOM 79 CA PRO A 79 265.959 218.002 214.558 1.00 0.00 C +ATOM 80 CA PRO A 80 262.693 219.751 215.450 1.00 0.00 C +ATOM 81 CA THR A 81 261.143 223.089 216.435 1.00 0.00 C +ATOM 82 CA HIS A 82 263.108 225.134 218.979 1.00 0.00 C +ATOM 83 CA GLU A 83 263.332 227.363 222.061 1.00 0.00 C +ATOM 84 CA LEU A 84 262.994 230.885 223.474 1.00 0.00 C +ATOM 85 CA ARG A 85 264.375 234.104 221.974 1.00 0.00 C +ATOM 86 CA PRO A 86 267.918 234.754 223.216 1.00 0.00 C +ATOM 87 CA PRO A 87 268.293 237.843 225.415 1.00 0.00 C +ATOM 88 CA SER A 88 266.624 238.437 228.788 1.00 0.00 C +ATOM 89 CA ILE A 89 263.653 237.372 230.923 1.00 0.00 C +ATOM 90 CA SER A 90 259.941 237.371 231.783 1.00 0.00 C +ATOM 91 CA SER A 91 256.212 237.688 231.073 1.00 0.00 C +ATOM 92 CA THR A 92 253.256 238.343 228.759 1.00 0.00 C +ATOM 93 CA SER A 93 250.092 240.383 228.177 1.00 0.00 C +ATOM 94 CA ASP A 94 248.435 243.485 226.711 1.00 0.00 C +ATOM 95 CA SER A 95 246.610 245.732 229.188 1.00 0.00 C +ATOM 96 CA ASP A 96 245.718 247.369 232.511 1.00 0.00 C +ATOM 97 CA PHE A 97 245.847 250.076 235.188 1.00 0.00 C +ATOM 98 CA SER A 98 245.215 251.972 238.432 1.00 0.00 C +ATOM 99 CA PRO A 99 243.194 255.030 237.393 1.00 0.00 C +ATOM 100 CA LEU A 100 243.964 257.766 239.930 1.00 0.00 C +ATOM 101 CA THR A 101 244.611 260.968 241.890 1.00 0.00 C +ATOM 102 CA GLN A 102 247.808 262.187 243.566 1.00 0.00 C +ATOM 103 CA THR A 103 250.588 260.626 245.652 1.00 0.00 C +ATOM 104 CA HIS A 104 252.236 258.323 248.200 1.00 0.00 C +ATOM 105 CA SER A 105 251.275 256.856 251.582 1.00 0.00 C +ATOM 106 CA GLN A 106 250.486 256.540 255.296 1.00 0.00 C +ATOM 107 CA SER A 107 247.347 258.055 256.836 1.00 0.00 C +ATOM 108 CA ASN A 108 244.735 255.285 256.974 1.00 0.00 C +ATOM 109 CA TYR A 109 241.383 255.053 255.178 1.00 0.00 C +ATOM 110 CA MET A 110 240.542 258.622 254.141 1.00 0.00 C +ATOM 111 CA PRO A 111 242.735 261.493 252.931 1.00 0.00 C +ATOM 112 CA ASN A 112 245.911 263.465 252.195 1.00 0.00 C +ATOM 113 CA PRO A 113 248.732 264.471 254.550 1.00 0.00 C +ATOM 114 CA HIS A 114 250.425 267.750 253.602 1.00 0.00 C +ATOM 115 CA ALA A 115 254.110 267.387 254.500 1.00 0.00 C +ATOM 116 CA SER A 116 257.370 265.940 253.158 1.00 0.00 C +ATOM 117 CA SER A 117 261.006 265.454 252.130 1.00 0.00 C +ATOM 118 CA PHE A 118 261.535 267.736 249.125 1.00 0.00 C +ATOM 119 CA ASP A 119 262.108 271.462 248.573 1.00 0.00 C +ATOM 120 CA PRO A 120 262.485 271.887 244.805 1.00 0.00 C +ATOM 121 CA ALA A 121 262.436 273.883 241.560 1.00 0.00 C +ATOM 122 CA SER A 122 262.069 274.781 237.876 1.00 0.00 C +ATOM 123 CA ILE A 123 264.871 275.770 235.492 1.00 0.00 C +ATOM 124 CA PHE A 124 265.814 278.873 233.491 1.00 0.00 C +ATOM 125 CA GLY A 125 264.196 279.204 230.058 1.00 0.00 C +ATOM 126 CA ASN A 126 266.397 280.026 227.059 1.00 0.00 C +ATOM 127 CA GLN A 127 268.865 282.826 227.823 1.00 0.00 C +ATOM 128 CA PHE A 128 271.820 285.003 226.801 1.00 0.00 C +ATOM 129 CA SER A 129 274.166 284.465 223.847 1.00 0.00 C +ATOM 130 CA THR A 130 277.677 285.460 224.941 1.00 0.00 C +ATOM 131 CA GLY A 131 278.464 287.549 228.028 1.00 0.00 C +ATOM 132 CA PRO A 132 279.948 290.449 230.004 1.00 0.00 C +ATOM 133 CA PRO A 133 278.386 290.823 233.459 1.00 0.00 C +ATOM 134 CA PRO A 134 277.727 290.026 237.126 1.00 0.00 C +ATOM 135 CA ILE A 135 274.587 289.426 239.199 1.00 0.00 C +ATOM 136 CA SER A 136 272.186 287.351 237.092 1.00 0.00 C +ATOM 137 CA ARG A 137 268.618 286.085 237.522 1.00 0.00 C +ATOM 138 CA THR A 138 267.266 283.662 240.133 1.00 0.00 C +ATOM 139 CA GLY A 139 269.350 281.416 242.398 1.00 0.00 C +ATOM 140 CA THR A 140 271.324 278.197 242.905 1.00 0.00 C +ATOM 141 CA ASN A 141 274.482 276.078 242.684 1.00 0.00 C +ATOM 142 CA LEU A 142 275.627 275.159 246.200 1.00 0.00 C +ATOM 143 CA SER A 143 274.772 273.655 249.594 1.00 0.00 C +ATOM 144 CA SER A 144 272.733 275.141 252.450 1.00 0.00 C +ATOM 145 CA VAL A 145 271.097 273.819 255.627 1.00 0.00 C +ATOM 146 CA GLY A 146 267.457 273.758 256.749 1.00 0.00 C +ATOM 147 CA SER A 147 264.820 271.008 256.795 1.00 0.00 C +ATOM 148 CA ALA A 148 261.676 271.267 254.658 1.00 0.00 C +ATOM 149 CA ALA A 149 258.218 272.862 254.752 1.00 0.00 C +ATOM 150 CA PRO A 150 256.204 273.822 257.840 1.00 0.00 C +ATOM 151 CA SER A 151 258.298 275.205 260.707 1.00 0.00 C +ATOM 152 CA VAL A 152 260.665 277.335 262.799 1.00 0.00 C +ATOM 153 CA SER A 153 262.743 279.279 260.266 1.00 0.00 C +ATOM 154 CA PRO A 154 261.058 281.313 257.520 1.00 0.00 C +ATOM 155 CA SER A 155 262.020 282.589 254.062 1.00 0.00 C +ATOM 156 CA SER A 156 265.760 282.941 253.423 1.00 0.00 C +ATOM 157 CA LEU A 157 268.686 281.316 255.243 1.00 0.00 C +ATOM 158 CA HIS A 158 271.576 283.745 254.728 1.00 0.00 C +ATOM 159 CA LEU A 159 270.824 286.582 252.298 1.00 0.00 C +ATOM 160 CA ARG A 160 271.422 286.457 248.537 1.00 0.00 C +ATOM 161 CA LEU A 161 275.189 286.251 248.002 1.00 0.00 C +ATOM 162 CA ALA A 162 277.738 283.771 246.635 1.00 0.00 C +ATOM 163 CA GLN A 163 278.682 280.451 245.022 1.00 0.00 C +ATOM 164 CA ARG A 164 281.803 278.372 245.694 1.00 0.00 C +ATOM 165 CA SER A 165 283.484 279.772 248.814 1.00 0.00 C +TER 166 SER A 165 +END diff --git a/Fungi/A0A5C2RWZ8/A0A5C2RWZ8.dcd b/Fungi/A0A5C2RWZ8/A0A5C2RWZ8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..6697912457bbef3b661aa517c20a47cee2e87982 --- /dev/null +++ b/Fungi/A0A5C2RWZ8/A0A5C2RWZ8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:66277e250232f2a3d67265648a4bd63ed4426e2e03e5eafd31cf7a2187200ae1 +size 44940276 diff --git a/Fungi/A0A5C2RWZ8/top.pdb b/Fungi/A0A5C2RWZ8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..733f43f853ddec24e94737128318707d422a2235 --- /dev/null +++ b/Fungi/A0A5C2RWZ8/top.pdb @@ -0,0 +1,247 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 279.555 180.344 290.265 1.00 0.00 C +ATOM 2 CA VAL A 2 281.715 178.991 287.433 1.00 0.00 C +ATOM 3 CA ASP A 3 282.277 180.641 284.045 1.00 0.00 C +ATOM 4 CA ASP A 4 285.567 180.740 282.126 1.00 0.00 C +ATOM 5 CA ASP A 5 288.527 179.896 284.371 1.00 0.00 C +ATOM 6 CA GLY A 6 290.770 177.570 282.352 1.00 0.00 C +ATOM 7 CA GLU A 7 292.631 177.806 279.036 1.00 0.00 C +ATOM 8 CA ARG A 8 294.463 178.362 275.742 1.00 0.00 C +ATOM 9 CA LEU A 9 292.765 180.819 273.376 1.00 0.00 C +ATOM 10 CA ASP A 10 289.694 182.015 275.289 1.00 0.00 C +ATOM 11 CA TRP A 11 285.957 181.344 274.982 1.00 0.00 C +ATOM 12 CA GLY A 12 284.398 184.778 274.441 1.00 0.00 C +ATOM 13 CA ASN A 13 281.590 186.210 272.301 1.00 0.00 C +ATOM 14 CA ASP A 14 281.780 188.455 269.229 1.00 0.00 C +ATOM 15 CA ASP A 15 283.357 187.928 265.801 1.00 0.00 C +ATOM 16 CA ASP A 16 285.851 186.871 263.121 1.00 0.00 C +ATOM 17 CA GLU A 17 288.899 188.220 261.277 1.00 0.00 C +ATOM 18 CA GLN A 18 291.746 190.723 261.653 1.00 0.00 C +ATOM 19 CA GLN A 19 293.920 190.388 264.764 1.00 0.00 C +ATOM 20 CA ASN A 20 295.324 188.521 267.774 1.00 0.00 C +ATOM 21 CA ILE A 21 294.145 186.189 270.546 1.00 0.00 C +ATOM 22 CA SER A 22 292.648 187.292 273.872 1.00 0.00 C +ATOM 23 CA ALA A 23 291.152 190.626 274.950 1.00 0.00 C +ATOM 24 CA PRO A 24 292.792 192.233 277.990 1.00 0.00 C +ATOM 25 CA TYR A 25 296.498 192.523 277.155 1.00 0.00 C +ATOM 26 CA PRO A 26 298.440 192.962 280.403 1.00 0.00 C +ATOM 27 CA GLY A 27 298.910 193.446 284.153 1.00 0.00 C +ATOM 28 CA TYR A 28 300.317 196.135 286.455 1.00 0.00 C +ATOM 29 CA SER A 29 303.349 198.441 286.554 1.00 0.00 C +ATOM 30 CA PRO A 30 304.314 200.833 289.358 1.00 0.00 C +ATOM 31 CA ARG A 31 304.742 202.787 292.601 1.00 0.00 C +ATOM 32 CA GLN A 32 302.211 202.416 295.424 1.00 0.00 C +ATOM 33 CA SER A 33 303.556 200.796 298.599 1.00 0.00 C +ATOM 34 CA THR A 34 300.953 199.188 300.869 1.00 0.00 C +ATOM 35 CA GLY A 35 297.544 197.962 299.689 1.00 0.00 C +ATOM 36 CA GLY A 36 295.008 197.304 302.456 1.00 0.00 C +ATOM 37 CA TYR A 37 292.197 194.810 303.086 1.00 0.00 C +ATOM 38 CA ASP A 38 288.717 193.961 304.383 1.00 0.00 C +ATOM 39 CA ALA A 39 286.884 192.537 301.362 1.00 0.00 C +ATOM 40 CA PRO A 40 283.754 191.657 299.376 1.00 0.00 C +ATOM 41 CA GLU A 41 280.999 193.024 297.127 1.00 0.00 C +ATOM 42 CA ASP A 42 280.991 191.820 293.511 1.00 0.00 C +ATOM 43 CA ALA A 43 281.810 191.194 289.844 1.00 0.00 C +ATOM 44 CA GLU A 44 283.195 192.570 286.571 1.00 0.00 C +ATOM 45 CA ASP A 45 280.817 191.965 283.657 1.00 0.00 C +ATOM 46 CA ALA A 46 282.605 190.247 280.764 1.00 0.00 C +ATOM 47 CA ILE A 47 280.691 190.193 277.470 1.00 0.00 C +ATOM 48 CA SER A 48 276.944 190.098 276.785 1.00 0.00 C +ATOM 49 CA LEU A 49 273.714 191.764 275.641 1.00 0.00 C +ATOM 50 CA GLY A 50 270.540 189.674 275.911 1.00 0.00 C +ATOM 51 CA GLY A 51 268.200 191.294 278.444 1.00 0.00 C +ATOM 52 CA ASP A 52 265.231 193.649 278.838 1.00 0.00 C +ATOM 53 CA ASP A 53 265.377 196.501 276.315 1.00 0.00 C +ATOM 54 CA GLU A 54 268.671 198.392 276.014 1.00 0.00 C +ATOM 55 CA ASP A 55 269.370 200.389 279.183 1.00 0.00 C +ATOM 56 CA GLU A 56 272.535 202.505 279.339 1.00 0.00 C +ATOM 57 CA ARG A 57 272.344 205.010 276.475 1.00 0.00 C +ATOM 58 CA GLU A 58 273.757 208.450 275.646 1.00 0.00 C +ATOM 59 CA TYR A 59 275.405 209.288 272.315 1.00 0.00 C +ATOM 60 CA TYR A 60 273.801 208.351 268.988 1.00 0.00 C +ATOM 61 CA ALA A 61 274.041 209.452 265.349 1.00 0.00 C +ATOM 62 CA ASN A 62 275.254 209.848 261.759 1.00 0.00 C +ATOM 63 CA HIS A 63 277.968 208.936 259.245 1.00 0.00 C +ATOM 64 CA SER A 64 281.095 211.024 258.629 1.00 0.00 C +ATOM 65 CA SER A 65 282.000 214.681 259.198 1.00 0.00 C +ATOM 66 CA GLU A 66 281.308 216.749 256.074 1.00 0.00 C +ATOM 67 CA GLN A 67 282.842 216.956 252.593 1.00 0.00 C +ATOM 68 CA ALA A 68 281.231 216.136 249.240 1.00 0.00 C +ATOM 69 CA PRO A 69 281.485 216.687 245.478 1.00 0.00 C +ATOM 70 CA GLY A 70 278.818 218.984 244.020 1.00 0.00 C +ATOM 71 CA ALA A 71 279.997 220.695 240.826 1.00 0.00 C +ATOM 72 CA HIS A 72 282.813 222.190 238.740 1.00 0.00 C +ATOM 73 CA LEU A 73 285.721 224.416 237.689 1.00 0.00 C +ATOM 74 CA SER A 74 286.946 227.235 235.439 1.00 0.00 C +ATOM 75 CA LYS A 75 287.589 229.679 232.587 1.00 0.00 C +ATOM 76 CA GLN A 76 284.130 231.028 231.728 1.00 0.00 C +ATOM 77 CA PRO A 77 281.769 232.143 228.954 1.00 0.00 C +ATOM 78 CA SER A 78 278.252 233.417 228.230 1.00 0.00 C +ATOM 79 CA PHE A 79 275.599 232.632 230.850 1.00 0.00 C +ATOM 80 CA ALA A 80 272.271 231.260 229.602 1.00 0.00 C +ATOM 81 CA SER A 81 269.281 229.768 227.770 1.00 0.00 C +ATOM 82 CA HIS A 82 266.956 227.827 230.081 1.00 0.00 C +ATOM 83 CA SER A 83 264.212 225.980 228.189 1.00 0.00 C +ATOM 84 CA GLY A 84 264.675 226.012 224.407 1.00 0.00 C +ATOM 85 CA ARG A 85 262.729 227.822 221.677 1.00 0.00 C +ATOM 86 CA ARG A 86 264.562 228.536 218.415 1.00 0.00 C +ATOM 87 CA ASP A 87 264.440 228.239 214.618 1.00 0.00 C +ATOM 88 CA GLY A 88 262.066 225.847 212.842 1.00 0.00 C +ATOM 89 CA GLN A 89 258.837 223.949 213.540 1.00 0.00 C +ATOM 90 CA ARG A 90 258.833 220.559 211.802 1.00 0.00 C +ATOM 91 CA LEU A 91 255.618 219.009 210.467 1.00 0.00 C +ATOM 92 CA SER A 92 252.865 220.959 208.696 1.00 0.00 C +ATOM 93 CA ALA A 93 249.307 221.272 207.371 1.00 0.00 C +ATOM 94 CA ALA A 94 247.584 224.415 208.665 1.00 0.00 C +ATOM 95 CA THR A 95 246.974 227.056 205.988 1.00 0.00 C +ATOM 96 CA PRO A 96 247.359 230.489 207.595 1.00 0.00 C +ATOM 97 CA SER A 97 248.569 234.023 206.847 1.00 0.00 C +ATOM 98 CA ARG A 98 248.232 237.673 207.887 1.00 0.00 C +ATOM 99 CA THR A 99 249.870 240.329 205.702 1.00 0.00 C +ATOM 100 CA PRO A 100 253.575 241.112 206.114 1.00 0.00 C +ATOM 101 CA SER A 101 254.749 242.699 202.855 1.00 0.00 C +ATOM 102 CA ARG A 102 255.531 246.423 202.670 1.00 0.00 C +ATOM 103 CA ALA A 103 256.995 249.912 202.220 1.00 0.00 C +ATOM 104 CA LYS A 104 260.002 251.827 203.562 1.00 0.00 C +ATOM 105 CA ASN A 105 260.604 255.580 203.289 1.00 0.00 C +ATOM 106 CA SER A 106 264.025 256.801 202.138 1.00 0.00 C +ATOM 107 CA GLU A 107 267.037 257.909 204.190 1.00 0.00 C +ATOM 108 CA SER A 108 270.814 257.724 204.655 1.00 0.00 C +ATOM 109 CA PRO A 109 273.003 258.014 207.760 1.00 0.00 C +ATOM 110 CA THR A 110 275.221 259.019 210.690 1.00 0.00 C +ATOM 111 CA ARG A 111 278.379 259.804 212.671 1.00 0.00 C +ATOM 112 CA ASP A 112 278.402 261.446 216.109 1.00 0.00 C +ATOM 113 CA SER A 113 278.330 265.099 217.191 1.00 0.00 C +ATOM 114 CA ARG A 114 276.152 267.044 214.744 1.00 0.00 C +ATOM 115 CA PRO A 115 272.900 268.259 216.313 1.00 0.00 C +ATOM 116 CA PRO A 116 269.639 269.937 215.280 1.00 0.00 C +ATOM 117 CA ASN A 117 269.044 273.083 217.344 1.00 0.00 C +ATOM 118 CA SER A 118 267.731 275.660 219.824 1.00 0.00 C +ATOM 119 CA THR A 119 264.821 277.892 220.857 1.00 0.00 C +ATOM 120 CA SER A 120 265.228 281.029 222.980 1.00 0.00 C +ATOM 121 CA SER A 121 266.830 281.108 226.436 1.00 0.00 C +ATOM 122 CA THR A 122 268.538 281.317 229.835 1.00 0.00 C +ATOM 123 CA GLY A 123 271.441 280.403 232.127 1.00 0.00 C +ATOM 124 CA LYS A 124 271.544 276.967 233.770 1.00 0.00 C +ATOM 125 CA LEU A 125 272.307 273.261 233.325 1.00 0.00 C +ATOM 126 CA PRO A 126 274.809 271.307 235.431 1.00 0.00 C +ATOM 127 CA LEU A 127 277.380 269.165 233.609 1.00 0.00 C +ATOM 128 CA ALA A 128 276.808 265.856 231.809 1.00 0.00 C +ATOM 129 CA PRO A 129 275.911 262.453 233.269 1.00 0.00 C +ATOM 130 CA LEU A 130 272.636 261.272 234.816 1.00 0.00 C +ATOM 131 CA THR A 131 271.286 257.733 235.226 1.00 0.00 C +ATOM 132 CA HIS A 132 269.175 256.323 232.385 1.00 0.00 C +ATOM 133 CA ALA A 133 267.226 259.321 231.071 1.00 0.00 C +ATOM 134 CA LEU A 134 266.634 262.418 233.210 1.00 0.00 C +ATOM 135 CA PRO A 135 265.601 266.020 232.521 1.00 0.00 C +ATOM 136 CA PRO A 136 267.027 269.187 230.954 1.00 0.00 C +ATOM 137 CA LYS A 137 269.399 268.728 228.007 1.00 0.00 C +ATOM 138 CA PRO A 138 269.207 268.394 224.217 1.00 0.00 C +ATOM 139 CA ILE A 139 268.235 264.805 223.386 1.00 0.00 C +ATOM 140 CA LEU A 140 265.071 264.913 221.265 1.00 0.00 C +ATOM 141 CA VAL A 141 261.788 264.354 219.415 1.00 0.00 C +ATOM 142 CA PRO A 142 259.152 261.855 218.264 1.00 0.00 C +ATOM 143 CA PRO A 143 256.094 262.704 220.371 1.00 0.00 C +ATOM 144 CA LEU A 144 254.203 262.254 223.648 1.00 0.00 C +ATOM 145 CA PHE A 145 253.722 265.747 225.093 1.00 0.00 C +ATOM 146 CA GLU A 146 254.923 268.518 227.416 1.00 0.00 C +ATOM 147 CA GLN A 147 253.393 268.951 230.878 1.00 0.00 C +ATOM 148 CA PRO A 148 251.586 269.201 234.223 1.00 0.00 C +ATOM 149 CA ALA A 149 250.085 272.628 234.942 1.00 0.00 C +ATOM 150 CA GLU A 150 252.762 275.319 235.266 1.00 0.00 C +ATOM 151 CA PRO A 151 254.846 278.504 235.441 1.00 0.00 C +ATOM 152 CA GLY A 152 254.691 282.298 235.123 1.00 0.00 C +ATOM 153 CA THR A 153 253.085 284.896 237.401 1.00 0.00 C +ATOM 154 CA LEU A 154 250.210 286.728 235.700 1.00 0.00 C +ATOM 155 CA ALA A 155 250.116 287.679 232.011 1.00 0.00 C +ATOM 156 CA SER A 156 247.575 286.145 229.623 1.00 0.00 C +ATOM 157 CA ALA A 157 247.850 285.896 225.831 1.00 0.00 C +ATOM 158 CA MET A 158 249.312 282.427 225.245 1.00 0.00 C +ATOM 159 CA VAL A 159 248.771 279.229 227.244 1.00 0.00 C +ATOM 160 CA ASN A 160 251.044 278.490 230.211 1.00 0.00 C +ATOM 161 CA ARG A 161 254.650 279.114 229.153 1.00 0.00 C +ATOM 162 CA SER A 162 256.084 278.614 225.658 1.00 0.00 C +ATOM 163 CA ARG A 163 258.820 277.330 223.338 1.00 0.00 C +ATOM 164 CA LYS A 164 257.489 276.499 219.866 1.00 0.00 C +ATOM 165 CA ALA A 165 256.515 277.959 216.484 1.00 0.00 C +ATOM 166 CA ASN A 166 253.447 277.053 214.416 1.00 0.00 C +ATOM 167 CA GLY A 167 251.136 275.269 216.864 1.00 0.00 C +ATOM 168 CA THR A 168 249.625 274.167 220.184 1.00 0.00 C +ATOM 169 CA ALA A 169 247.456 271.410 221.672 1.00 0.00 C +ATOM 170 CA LYS A 170 244.651 271.430 224.250 1.00 0.00 C +ATOM 171 CA GLY A 171 243.973 272.888 227.704 1.00 0.00 C +ATOM 172 CA HIS A 172 242.944 272.920 231.373 1.00 0.00 C +ATOM 173 CA THR A 173 240.145 271.440 233.492 1.00 0.00 C +ATOM 174 CA ALA A 174 237.928 268.425 232.778 1.00 0.00 C +ATOM 175 CA PRO A 175 234.799 266.266 232.521 1.00 0.00 C +ATOM 176 CA GLU A 176 231.871 264.143 233.719 1.00 0.00 C +ATOM 177 CA GLY A 177 229.554 262.380 236.176 1.00 0.00 C +ATOM 178 CA GLY A 178 228.409 260.655 239.375 1.00 0.00 C +ATOM 179 CA GLU A 179 225.435 262.705 240.587 1.00 0.00 C +ATOM 180 CA SER A 180 226.192 266.056 242.234 1.00 0.00 C +ATOM 181 CA LEU A 181 227.112 268.950 239.933 1.00 0.00 C +ATOM 182 CA PRO A 182 225.084 272.160 239.622 1.00 0.00 C +ATOM 183 CA GLN A 183 222.467 273.572 242.005 1.00 0.00 C +ATOM 184 CA ASP A 184 219.722 276.105 242.755 1.00 0.00 C +ATOM 185 CA TRP A 185 216.896 274.002 244.205 1.00 0.00 C +ATOM 186 CA GLU A 186 215.328 272.240 241.213 1.00 0.00 C +ATOM 187 CA VAL A 187 211.777 273.298 240.328 1.00 0.00 C +ATOM 188 CA ARG A 188 208.421 273.300 238.524 1.00 0.00 C +ATOM 189 CA TYR A 189 205.491 271.638 240.305 1.00 0.00 C +ATOM 190 CA SER A 190 202.102 273.150 239.440 1.00 0.00 C +ATOM 191 CA THR A 191 200.900 276.748 239.793 1.00 0.00 C +ATOM 192 CA ASN A 192 199.199 278.115 236.670 1.00 0.00 C +ATOM 193 CA GLU A 193 195.411 278.504 236.540 1.00 0.00 C +ATOM 194 CA GLY A 194 192.183 278.436 238.562 1.00 0.00 C +ATOM 195 CA LYS A 195 189.993 275.342 238.184 1.00 0.00 C +ATOM 196 CA PRO A 196 187.610 273.708 240.668 1.00 0.00 C +ATOM 197 CA TYR A 197 186.716 271.581 243.700 1.00 0.00 C +ATOM 198 CA TYR A 198 186.876 272.039 247.479 1.00 0.00 C +ATOM 199 CA TYR A 199 187.110 274.705 250.191 1.00 0.00 C +ATOM 200 CA ASN A 200 188.035 276.655 253.331 1.00 0.00 C +ATOM 201 CA VAL A 201 186.655 278.108 256.571 1.00 0.00 C +ATOM 202 CA LYS A 202 187.861 277.054 260.028 1.00 0.00 C +ATOM 203 CA THR A 203 191.429 278.242 260.641 1.00 0.00 C +ATOM 204 CA GLU A 204 193.390 280.705 262.787 1.00 0.00 C +ATOM 205 CA GLU A 205 195.843 280.938 265.693 1.00 0.00 C +ATOM 206 CA SER A 206 195.461 278.681 268.739 1.00 0.00 C +ATOM 207 CA THR A 207 192.592 276.339 267.846 1.00 0.00 C +ATOM 208 CA TRP A 208 188.825 276.909 267.816 1.00 0.00 C +ATOM 209 CA ILE A 209 185.750 279.136 267.495 1.00 0.00 C +ATOM 210 CA ARG A 210 182.130 279.583 268.594 1.00 0.00 C +ATOM 211 CA PRO A 211 181.771 282.380 271.156 1.00 0.00 C +ATOM 212 CA ARG A 212 182.910 284.965 273.713 1.00 0.00 C +ATOM 213 CA LEU A 213 183.631 288.644 274.395 1.00 0.00 C +ATOM 214 CA GLN A 214 182.346 292.190 273.856 1.00 0.00 C +ATOM 215 CA VAL A 215 185.354 294.497 273.479 1.00 0.00 C +ATOM 216 CA THR A 216 186.289 297.243 271.009 1.00 0.00 C +ATOM 217 CA SER A 217 187.091 299.336 267.928 1.00 0.00 C +ATOM 218 CA GLY A 218 184.996 300.614 265.014 1.00 0.00 C +ATOM 219 CA ARG A 219 181.348 300.219 266.040 1.00 0.00 C +ATOM 220 CA SER A 220 179.979 303.771 266.214 1.00 0.00 C +ATOM 221 CA SER A 221 180.081 305.730 269.479 1.00 0.00 C +ATOM 222 CA PRO A 222 176.804 307.646 269.803 1.00 0.00 C +ATOM 223 CA THR A 223 177.158 311.296 270.834 1.00 0.00 C +ATOM 224 CA LYS A 224 179.291 312.143 273.875 1.00 0.00 C +ATOM 225 CA THR A 225 182.190 314.420 274.839 1.00 0.00 C +ATOM 226 CA ARG A 226 181.188 317.717 276.464 1.00 0.00 C +ATOM 227 CA GLU A 227 181.255 321.518 276.203 1.00 0.00 C +ATOM 228 CA ASN A 228 181.133 323.210 279.614 1.00 0.00 C +ATOM 229 CA GLY A 229 180.808 325.303 282.781 1.00 0.00 C +ATOM 230 CA SER A 230 182.950 328.291 283.782 1.00 0.00 C +ATOM 231 CA ALA A 231 181.699 330.165 286.855 1.00 0.00 C +ATOM 232 CA GLN A 232 182.124 329.869 290.629 1.00 0.00 C +ATOM 233 CA PRO A 233 184.951 330.610 293.074 1.00 0.00 C +ATOM 234 CA SER A 234 188.038 331.589 291.067 1.00 0.00 C +ATOM 235 CA GLY A 235 191.577 331.726 292.471 1.00 0.00 C +ATOM 236 CA ARG A 236 193.907 334.689 291.913 1.00 0.00 C +ATOM 237 CA ARG A 237 196.155 337.102 290.006 1.00 0.00 C +ATOM 238 CA SER A 238 197.225 336.647 286.378 1.00 0.00 C +ATOM 239 CA PRO A 239 200.834 336.717 285.159 1.00 0.00 C +ATOM 240 CA ASP A 240 202.927 338.026 288.061 1.00 0.00 C +ATOM 241 CA VAL A 241 202.137 337.773 291.780 1.00 0.00 C +ATOM 242 CA GLN A 242 201.286 339.906 294.820 1.00 0.00 C +ATOM 243 CA ASP A 243 204.605 341.318 296.047 1.00 0.00 C +TER 244 ASP A 243 +END diff --git a/Fungi/A0A5C2S8T0/A0A5C2S8T0.dcd b/Fungi/A0A5C2S8T0/A0A5C2S8T0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..34444851698d4f608cc44fe7b93a7f6a7ef61172 --- /dev/null +++ b/Fungi/A0A5C2S8T0/A0A5C2S8T0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:16d990484ae18fe5241cb4b487d7faafd48ea8c9fa0147445c1cecacc2aafcad +size 10520276 diff --git a/Fungi/A0A5C2S8T0/top.pdb b/Fungi/A0A5C2S8T0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..fb02b6799c66989140e9c74faa3c8db43a46e702 --- /dev/null +++ b/Fungi/A0A5C2S8T0/top.pdb @@ -0,0 +1,85 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 234.598 225.903 240.498 1.00 0.00 C +ATOM 2 CA PRO A 2 234.303 225.927 236.700 1.00 0.00 C +ATOM 3 CA THR A 3 231.671 228.525 235.783 1.00 0.00 C +ATOM 4 CA ASN A 4 231.055 231.764 237.691 1.00 0.00 C +ATOM 5 CA SER A 5 232.945 231.660 240.998 1.00 0.00 C +ATOM 6 CA ASN A 6 232.515 234.082 243.907 1.00 0.00 C +ATOM 7 CA THR A 7 231.400 237.505 242.659 1.00 0.00 C +ATOM 8 CA GLY A 8 229.077 237.178 239.657 1.00 0.00 C +ATOM 9 CA GLU A 9 230.328 238.101 236.178 1.00 0.00 C +ATOM 10 CA ASN A 10 232.378 241.004 234.807 1.00 0.00 C +ATOM 11 CA TYR A 11 235.370 239.461 233.022 1.00 0.00 C +ATOM 12 CA THR A 12 234.579 235.843 232.127 1.00 0.00 C +ATOM 13 CA VAL A 13 233.157 233.477 229.500 1.00 0.00 C +ATOM 14 CA THR A 14 232.701 235.027 226.050 1.00 0.00 C +ATOM 15 CA SER A 15 231.142 234.280 222.655 1.00 0.00 C +ATOM 16 CA SER A 16 228.201 235.737 220.720 1.00 0.00 C +ATOM 17 CA GLY A 17 229.518 238.963 219.181 1.00 0.00 C +ATOM 18 CA THR A 18 227.815 242.176 220.319 1.00 0.00 C +ATOM 19 CA ASN A 19 225.363 244.865 221.449 1.00 0.00 C +ATOM 20 CA ASP A 20 222.593 246.310 219.269 1.00 0.00 C +ATOM 21 CA GLN A 21 221.497 249.950 219.530 1.00 0.00 C +ATOM 22 CA GLY A 22 217.852 250.892 220.118 1.00 0.00 C +ATOM 23 CA ASN A 23 214.598 249.260 218.993 1.00 0.00 C +ATOM 24 CA SER A 24 211.206 247.675 219.698 1.00 0.00 C +ATOM 25 CA TYR A 25 211.210 245.853 223.044 1.00 0.00 C +ATOM 26 CA ASP A 26 212.748 248.045 225.755 1.00 0.00 C +ATOM 27 CA HIS A 27 216.091 247.179 227.364 1.00 0.00 C +ATOM 28 CA ARG A 28 219.875 247.141 226.924 1.00 0.00 C +ATOM 29 CA VAL A 29 223.639 247.659 227.209 1.00 0.00 C +ATOM 30 CA SER A 30 226.810 249.583 228.081 1.00 0.00 C +ATOM 31 CA ASP A 31 227.773 253.210 228.739 1.00 0.00 C +ATOM 32 CA SER A 32 226.321 255.240 231.619 1.00 0.00 C +ATOM 33 CA GLY A 33 227.873 254.026 234.880 1.00 0.00 C +ATOM 34 CA ASP A 34 225.793 252.296 237.563 1.00 0.00 C +ATOM 35 CA HIS A 35 224.551 250.503 240.687 1.00 0.00 C +ATOM 36 CA SER A 36 224.374 250.164 244.478 1.00 0.00 C +ATOM 37 CA TYR A 37 225.784 249.322 247.915 1.00 0.00 C +ATOM 38 CA HIS A 38 229.504 250.071 248.265 1.00 0.00 C +ATOM 39 CA TYR A 39 232.652 252.206 248.469 1.00 0.00 C +ATOM 40 CA SER A 40 235.477 251.723 245.959 1.00 0.00 C +ATOM 41 CA ASN A 41 238.753 253.464 246.824 1.00 0.00 C +ATOM 42 CA SER A 42 238.894 255.451 250.072 1.00 0.00 C +ATOM 43 CA ASP A 43 240.824 258.648 250.829 1.00 0.00 C +ATOM 44 CA GLY A 44 239.685 261.616 252.928 1.00 0.00 C +ATOM 45 CA SER A 45 240.989 261.289 256.493 1.00 0.00 C +ATOM 46 CA TYR A 46 241.626 259.867 259.970 1.00 0.00 C +ATOM 47 CA TYR A 47 245.317 260.027 260.900 1.00 0.00 C +ATOM 48 CA TYR A 48 249.058 260.230 260.208 1.00 0.00 C +ATOM 49 CA SER A 49 251.227 258.243 262.630 1.00 0.00 C +ATOM 50 CA ASN A 50 254.943 257.443 262.887 1.00 0.00 C +ATOM 51 CA SER A 51 258.654 258.240 262.555 1.00 0.00 C +ATOM 52 CA ASP A 52 261.896 257.402 260.737 1.00 0.00 C +ATOM 53 CA GLY A 53 264.780 259.571 259.515 1.00 0.00 C +ATOM 54 CA SER A 54 265.397 263.108 260.790 1.00 0.00 C +ATOM 55 CA THR A 55 268.849 264.431 259.868 1.00 0.00 C +ATOM 56 CA TYR A 56 268.586 268.224 259.615 1.00 0.00 C +ATOM 57 CA TYR A 57 268.275 270.440 256.532 1.00 0.00 C +ATOM 58 CA ASN A 58 270.796 273.234 255.938 1.00 0.00 C +ATOM 59 CA SER A 59 274.099 271.643 254.902 1.00 0.00 C +ATOM 60 CA SER A 60 277.456 270.278 256.080 1.00 0.00 C +ATOM 61 CA THR A 61 280.921 268.700 255.941 1.00 0.00 C +ATOM 62 CA GLY A 62 282.784 266.875 258.719 1.00 0.00 C +ATOM 63 CA TYR A 63 284.071 267.211 262.289 1.00 0.00 C +ATOM 64 CA SER A 64 283.210 264.120 264.344 1.00 0.00 C +ATOM 65 CA ASN A 65 282.859 261.722 267.283 1.00 0.00 C +ATOM 66 CA TYR A 66 281.006 258.503 266.434 1.00 0.00 C +ATOM 67 CA THR A 67 279.834 255.084 267.639 1.00 0.00 C +ATOM 68 CA SER A 68 280.687 252.021 269.739 1.00 0.00 C +ATOM 69 CA PRO A 69 280.802 251.072 273.427 1.00 0.00 C +ATOM 70 CA SER A 70 282.079 248.596 276.026 1.00 0.00 C +ATOM 71 CA GLY A 71 285.163 248.119 278.212 1.00 0.00 C +ATOM 72 CA ASP A 72 286.945 248.733 281.523 1.00 0.00 C +ATOM 73 CA SER A 73 289.992 248.545 283.802 1.00 0.00 C +ATOM 74 CA TYR A 74 293.669 249.511 284.050 1.00 0.00 C +ATOM 75 CA LYS A 75 295.695 250.924 286.951 1.00 0.00 C +ATOM 76 CA SER A 76 297.633 248.882 289.519 1.00 0.00 C +ATOM 77 CA TYR A 77 298.066 245.237 288.500 1.00 0.00 C +ATOM 78 CA SER A 78 297.211 241.605 287.725 1.00 0.00 C +ATOM 79 CA SER A 79 296.267 239.901 290.999 1.00 0.00 C +ATOM 80 CA SER A 80 297.738 237.850 293.853 1.00 0.00 C +ATOM 81 CA LYS A 81 296.931 234.152 294.293 1.00 0.00 C +TER 82 LYS A 81 +END diff --git a/Fungi/A0A5C3KV09/A0A5C3KV09.dcd b/Fungi/A0A5C3KV09/A0A5C3KV09.dcd new file mode 100644 index 0000000000000000000000000000000000000000..76109d238123b43dfa306bebadd8aa4be6db14c9 --- /dev/null +++ b/Fungi/A0A5C3KV09/A0A5C3KV09.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ea6feead46dfcaad40851056b05b31b987b8d2263a3637194de397fec984fecf +size 15200276 diff --git a/Fungi/A0A5C3KV09/top.pdb b/Fungi/A0A5C3KV09/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2e3bfc37113145219b7ad09bce7df2114c738fef --- /dev/null +++ b/Fungi/A0A5C3KV09/top.pdb @@ -0,0 +1,124 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 258.019 313.007 226.919 1.00 0.00 C +ATOM 2 CA VAL A 2 259.397 312.996 230.471 1.00 0.00 C +ATOM 3 CA GLU A 3 260.913 316.111 232.057 1.00 0.00 C +ATOM 4 CA ASN A 4 261.257 317.935 235.385 1.00 0.00 C +ATOM 5 CA PRO A 5 264.126 320.093 236.659 1.00 0.00 C +ATOM 6 CA LEU A 6 267.001 320.950 239.007 1.00 0.00 C +ATOM 7 CA ALA A 7 265.719 320.332 242.541 1.00 0.00 C +ATOM 8 CA GLN A 8 262.996 319.377 245.029 1.00 0.00 C +ATOM 9 CA HIS A 9 264.485 318.525 248.431 1.00 0.00 C +ATOM 10 CA ALA A 10 266.052 317.920 251.851 1.00 0.00 C +ATOM 11 CA PRO A 11 267.265 314.308 251.800 1.00 0.00 C +ATOM 12 CA ALA A 12 269.116 312.141 249.271 1.00 0.00 C +ATOM 13 CA VAL A 13 271.856 310.145 251.011 1.00 0.00 C +ATOM 14 CA LYS A 14 271.654 308.556 254.468 1.00 0.00 C +ATOM 15 CA VAL A 15 268.038 309.011 255.580 1.00 0.00 C +ATOM 16 CA GLY A 16 264.403 310.148 255.683 1.00 0.00 C +ATOM 17 CA GLY A 17 262.235 310.836 252.627 1.00 0.00 C +ATOM 18 CA ARG A 18 260.196 309.559 249.673 1.00 0.00 C +ATOM 19 CA ARG A 19 259.953 305.786 249.197 1.00 0.00 C +ATOM 20 CA LEU A 20 257.335 303.046 249.587 1.00 0.00 C +ATOM 21 CA SER A 21 257.635 299.919 251.744 1.00 0.00 C +ATOM 22 CA SER A 22 256.939 296.417 250.413 1.00 0.00 C +ATOM 23 CA ALA A 23 260.216 294.514 250.810 1.00 0.00 C +ATOM 24 CA ALA A 24 260.873 290.761 250.807 1.00 0.00 C +ATOM 25 CA ARG A 25 260.559 287.506 248.853 1.00 0.00 C +ATOM 26 CA PRO A 26 258.180 285.117 247.079 1.00 0.00 C +ATOM 27 CA THR A 27 260.036 281.863 246.382 1.00 0.00 C +ATOM 28 CA LYS A 28 261.943 278.569 246.225 1.00 0.00 C +ATOM 29 CA PRO A 29 259.804 276.042 248.111 1.00 0.00 C +ATOM 30 CA ALA A 30 256.638 274.018 247.480 1.00 0.00 C +ATOM 31 CA ALA A 31 257.537 270.931 245.436 1.00 0.00 C +ATOM 32 CA ASN A 32 259.145 267.964 247.204 1.00 0.00 C +ATOM 33 CA PRO A 33 259.241 264.802 245.080 1.00 0.00 C +ATOM 34 CA GLU A 34 257.992 261.652 243.337 1.00 0.00 C +ATOM 35 CA ALA A 35 258.794 258.608 245.484 1.00 0.00 C +ATOM 36 CA SER A 36 259.814 255.309 247.093 1.00 0.00 C +ATOM 37 CA ASP A 37 263.159 255.112 248.907 1.00 0.00 C +ATOM 38 CA LYS A 38 266.613 253.789 247.996 1.00 0.00 C +ATOM 39 CA LYS A 39 268.683 252.933 244.913 1.00 0.00 C +ATOM 40 CA PRO A 40 266.343 252.461 241.944 1.00 0.00 C +ATOM 41 CA ASP A 41 263.440 250.244 240.861 1.00 0.00 C +ATOM 42 CA ALA A 42 260.128 248.553 241.694 1.00 0.00 C +ATOM 43 CA ALA A 43 257.697 246.453 243.742 1.00 0.00 C +ATOM 44 CA GLU A 44 254.010 246.070 244.620 1.00 0.00 C +ATOM 45 CA LYS A 45 252.151 244.766 241.560 1.00 0.00 C +ATOM 46 CA LYS A 46 248.977 244.713 239.454 1.00 0.00 C +ATOM 47 CA ASP A 47 245.675 243.066 238.504 1.00 0.00 C +ATOM 48 CA ALA A 48 242.129 242.650 239.832 1.00 0.00 C +ATOM 49 CA ASN A 49 238.718 242.363 241.505 1.00 0.00 C +ATOM 50 CA GLU A 50 237.769 238.676 241.655 1.00 0.00 C +ATOM 51 CA GLU A 51 240.731 236.581 242.819 1.00 0.00 C +ATOM 52 CA GLU A 52 241.701 233.721 245.142 1.00 0.00 C +ATOM 53 CA GLU A 53 239.430 231.200 246.876 1.00 0.00 C +ATOM 54 CA SER A 54 235.702 231.946 247.122 1.00 0.00 C +ATOM 55 CA SER A 55 233.761 233.554 249.980 1.00 0.00 C +ATOM 56 CA ASP A 56 236.255 235.900 251.651 1.00 0.00 C +ATOM 57 CA GLU A 57 236.716 239.189 253.517 1.00 0.00 C +ATOM 58 CA GLU A 58 239.156 241.785 254.868 1.00 0.00 C +ATOM 59 CA SER A 59 241.880 244.257 253.875 1.00 0.00 C +ATOM 60 CA SER A 60 245.338 243.946 255.445 1.00 0.00 C +ATOM 61 CA GLU A 61 247.428 241.350 253.598 1.00 0.00 C +ATOM 62 CA GLU A 62 248.846 239.573 250.541 1.00 0.00 C +ATOM 63 CA GLU A 63 248.150 238.756 246.886 1.00 0.00 C +ATOM 64 CA GLU A 64 250.413 236.798 244.528 1.00 0.00 C +ATOM 65 CA GLY A 65 248.530 234.363 242.283 1.00 0.00 C +ATOM 66 CA GLU A 66 250.634 233.885 239.142 1.00 0.00 C +ATOM 67 CA GLU A 67 250.863 230.369 237.692 1.00 0.00 C +ATOM 68 CA ALA A 68 251.026 227.841 240.539 1.00 0.00 C +ATOM 69 CA THR A 69 251.799 224.407 239.081 1.00 0.00 C +ATOM 70 CA LYS A 70 249.646 221.459 237.991 1.00 0.00 C +ATOM 71 CA ARG A 71 246.848 222.972 235.893 1.00 0.00 C +ATOM 72 CA ARG A 72 244.576 225.463 237.669 1.00 0.00 C +ATOM 73 CA LYS A 73 243.217 226.815 240.961 1.00 0.00 C +ATOM 74 CA ASN A 74 242.301 223.919 243.261 1.00 0.00 C +ATOM 75 CA LYS A 75 239.292 222.924 245.376 1.00 0.00 C +ATOM 76 CA ASP A 76 235.744 222.818 243.990 1.00 0.00 C +ATOM 77 CA ASN A 77 234.229 219.536 245.192 1.00 0.00 C +ATOM 78 CA ASP A 78 234.967 216.315 243.296 1.00 0.00 C +ATOM 79 CA ARG A 79 235.851 214.390 240.129 1.00 0.00 C +ATOM 80 CA LYS A 80 236.882 210.773 240.741 1.00 0.00 C +ATOM 81 CA LYS A 81 239.254 210.863 243.722 1.00 0.00 C +ATOM 82 CA LYS A 82 241.016 211.561 247.027 1.00 0.00 C +ATOM 83 CA ASP A 83 239.079 210.079 249.954 1.00 0.00 C +ATOM 84 CA TYR A 84 235.351 209.819 249.215 1.00 0.00 C +ATOM 85 CA ALA A 85 232.733 208.325 251.545 1.00 0.00 C +ATOM 86 CA HIS A 86 229.354 209.962 252.188 1.00 0.00 C +ATOM 87 CA ARG A 87 228.051 211.316 255.503 1.00 0.00 C +ATOM 88 CA LYS A 88 229.864 211.994 258.784 1.00 0.00 C +ATOM 89 CA ALA A 89 233.132 213.953 258.845 1.00 0.00 C +ATOM 90 CA GLU A 90 234.941 216.580 260.928 1.00 0.00 C +ATOM 91 CA SER A 91 236.298 219.743 262.564 1.00 0.00 C +ATOM 92 CA THR A 92 234.020 220.832 265.418 1.00 0.00 C +ATOM 93 CA ARG A 93 232.958 220.256 269.031 1.00 0.00 C +ATOM 94 CA PRO A 94 235.269 220.163 272.059 1.00 0.00 C +ATOM 95 CA THR A 95 238.530 218.200 271.890 1.00 0.00 C +ATOM 96 CA ARG A 96 239.695 215.935 269.057 1.00 0.00 C +ATOM 97 CA ASP A 97 240.737 216.325 265.413 1.00 0.00 C +ATOM 98 CA ALA A 98 242.775 217.906 262.609 1.00 0.00 C +ATOM 99 CA GLN A 99 243.638 218.126 258.904 1.00 0.00 C +ATOM 100 CA GLY A 100 243.307 218.547 255.132 1.00 0.00 C +ATOM 101 CA GLY A 101 243.318 216.262 252.083 1.00 0.00 C +ATOM 102 CA PHE A 102 245.300 217.978 249.319 1.00 0.00 C +ATOM 103 CA LYS A 103 248.469 220.064 248.968 1.00 0.00 C +ATOM 104 CA ALA A 104 251.167 222.181 250.629 1.00 0.00 C +ATOM 105 CA PHE A 105 252.284 224.734 248.032 1.00 0.00 C +ATOM 106 CA ALA A 106 254.629 227.198 249.748 1.00 0.00 C +ATOM 107 CA SER A 107 254.482 230.997 249.494 1.00 0.00 C +ATOM 108 CA GLN A 108 256.061 232.689 252.520 1.00 0.00 C +ATOM 109 CA ARG A 109 257.983 230.769 255.192 1.00 0.00 C +ATOM 110 CA ILE A 110 255.973 228.611 257.604 1.00 0.00 C +ATOM 111 CA GLY A 111 252.343 229.503 258.342 1.00 0.00 C +ATOM 112 CA GLN A 112 251.011 232.394 260.436 1.00 0.00 C +ATOM 113 CA PRO A 113 250.637 232.349 264.227 1.00 0.00 C +ATOM 114 CA ALA A 114 250.159 233.340 267.875 1.00 0.00 C +ATOM 115 CA GLY A 115 249.588 234.173 271.548 1.00 0.00 C +ATOM 116 CA LYS A 116 248.208 236.935 273.781 1.00 0.00 C +ATOM 117 CA GLY A 117 245.650 238.496 276.134 1.00 0.00 C +ATOM 118 CA ASN A 118 243.910 241.878 275.906 1.00 0.00 C +ATOM 119 CA GLY A 119 241.761 243.113 273.012 1.00 0.00 C +ATOM 120 CA VAL A 120 242.299 242.420 269.304 1.00 0.00 C +TER 121 VAL A 120 +END diff --git a/Fungi/A0A5C3L646/A0A5C3L646.dcd b/Fungi/A0A5C3L646/A0A5C3L646.dcd new file mode 100644 index 0000000000000000000000000000000000000000..3b897cd729da3d4b517f2daff99de87c195e2012 --- /dev/null +++ b/Fungi/A0A5C3L646/A0A5C3L646.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:45dc1555071c3fbc4bd8faecd2af813c4b3f7b9bc402cbcd13755842ca0008b1 +size 8840276 diff --git a/Fungi/A0A5C3L646/top.pdb b/Fungi/A0A5C3L646/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..eccd91fb00559896724da8bc8e2285a6c88a0599 --- /dev/null +++ b/Fungi/A0A5C3L646/top.pdb @@ -0,0 +1,71 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 258.579 240.971 280.325 1.00 0.00 C +ATOM 2 CA ALA A 2 256.827 237.730 281.298 1.00 0.00 C +ATOM 3 CA ASP A 3 254.258 238.051 284.093 1.00 0.00 C +ATOM 4 CA ALA A 4 252.921 241.430 285.238 1.00 0.00 C +ATOM 5 CA THR A 5 253.223 244.206 282.645 1.00 0.00 C +ATOM 6 CA ALA A 6 251.595 247.485 281.589 1.00 0.00 C +ATOM 7 CA GLU A 7 248.435 248.949 280.045 1.00 0.00 C +ATOM 8 CA ALA A 8 246.073 251.936 279.930 1.00 0.00 C +ATOM 9 CA ALA A 9 247.784 255.263 279.209 1.00 0.00 C +ATOM 10 CA PRO A 10 250.495 256.417 281.625 1.00 0.00 C +ATOM 11 CA GLU A 11 253.593 258.218 282.919 1.00 0.00 C +ATOM 12 CA GLY A 12 255.100 261.710 282.694 1.00 0.00 C +ATOM 13 CA ASP A 13 258.862 261.234 283.063 1.00 0.00 C +ATOM 14 CA ASP A 14 261.466 258.454 283.135 1.00 0.00 C +ATOM 15 CA GLU A 15 265.046 257.221 283.558 1.00 0.00 C +ATOM 16 CA GLU A 16 265.780 254.346 281.167 1.00 0.00 C +ATOM 17 CA GLU A 17 264.839 252.426 278.014 1.00 0.00 C +ATOM 18 CA THR A 18 262.370 253.619 275.369 1.00 0.00 C +ATOM 19 CA GLY A 19 261.897 252.095 271.909 1.00 0.00 C +ATOM 20 CA ARG A 20 259.884 253.662 269.079 1.00 0.00 C +ATOM 21 CA LYS A 21 259.277 257.139 267.644 1.00 0.00 C +ATOM 22 CA ARG A 22 262.706 258.685 267.034 1.00 0.00 C +ATOM 23 CA LYS A 23 263.095 261.554 264.557 1.00 0.00 C +ATOM 24 CA ARG A 24 262.746 259.959 261.115 1.00 0.00 C +ATOM 25 CA ALA A 25 259.869 257.480 260.809 1.00 0.00 C +ATOM 26 CA PRO A 26 258.783 255.983 257.478 1.00 0.00 C +ATOM 27 CA PRO A 27 255.340 257.101 256.290 1.00 0.00 C +ATOM 28 CA SER A 28 252.655 255.582 254.054 1.00 0.00 C +ATOM 29 CA LYS A 29 249.990 252.904 253.556 1.00 0.00 C +ATOM 30 CA THR A 30 246.724 250.953 253.347 1.00 0.00 C +ATOM 31 CA ALA A 31 242.924 250.688 253.270 1.00 0.00 C +ATOM 32 CA VAL A 32 240.065 248.425 254.375 1.00 0.00 C +ATOM 33 CA VAL A 33 236.983 249.745 252.565 1.00 0.00 C +ATOM 34 CA LYS A 34 233.906 251.014 250.711 1.00 0.00 C +ATOM 35 CA PRO A 35 232.127 248.520 248.446 1.00 0.00 C +ATOM 36 CA ALA A 36 232.348 247.603 244.754 1.00 0.00 C +ATOM 37 CA SER A 37 235.516 246.371 243.033 1.00 0.00 C +ATOM 38 CA LYS A 38 238.667 247.794 241.433 1.00 0.00 C +ATOM 39 CA LYS A 39 238.273 250.488 238.768 1.00 0.00 C +ATOM 40 CA ALA A 40 240.652 251.367 235.925 1.00 0.00 C +ATOM 41 CA LYS A 41 244.140 251.822 237.387 1.00 0.00 C +ATOM 42 CA PRO A 42 245.053 249.193 239.990 1.00 0.00 C +ATOM 43 CA THR A 43 248.566 250.029 241.203 1.00 0.00 C +ATOM 44 CA ALA A 44 250.075 252.494 238.721 1.00 0.00 C +ATOM 45 CA ALA A 45 252.082 253.871 235.790 1.00 0.00 C +ATOM 46 CA LYS A 46 252.858 254.508 232.114 1.00 0.00 C +ATOM 47 CA ALA A 47 253.511 254.512 228.361 1.00 0.00 C +ATOM 48 CA LYS A 48 251.477 255.888 225.448 1.00 0.00 C +ATOM 49 CA LYS A 49 249.954 253.683 222.739 1.00 0.00 C +ATOM 50 CA ALA A 50 252.194 254.206 219.702 1.00 0.00 C +ATOM 51 CA LYS A 51 251.343 253.859 216.005 1.00 0.00 C +ATOM 52 CA ALA A 52 247.871 252.588 215.085 1.00 0.00 C +ATOM 53 CA ALA A 53 245.786 250.446 217.447 1.00 0.00 C +ATOM 54 CA ALA A 54 247.184 247.956 219.969 1.00 0.00 C +ATOM 55 CA VAL A 55 246.990 248.463 223.740 1.00 0.00 C +ATOM 56 CA GLU A 56 249.363 245.842 225.159 1.00 0.00 C +ATOM 57 CA GLU A 57 251.493 243.278 223.312 1.00 0.00 C +ATOM 58 CA GLU A 58 250.352 239.842 224.499 1.00 0.00 C +ATOM 59 CA ALA A 59 250.639 237.686 227.627 1.00 0.00 C +ATOM 60 CA ALA A 60 247.269 238.055 229.366 1.00 0.00 C +ATOM 61 CA GLU A 61 244.096 237.111 227.479 1.00 0.00 C +ATOM 62 CA GLU A 62 242.486 240.009 225.601 1.00 0.00 C +ATOM 63 CA ASP A 63 243.048 241.821 222.297 1.00 0.00 C +ATOM 64 CA GLU A 64 243.934 241.484 218.607 1.00 0.00 C +ATOM 65 CA GLY A 65 241.430 238.981 217.199 1.00 0.00 C +ATOM 66 CA GLU A 66 237.863 238.025 216.259 1.00 0.00 C +ATOM 67 CA ASP A 67 237.268 239.576 212.830 1.00 0.00 C +TER 68 ASP A 67 +END diff --git a/Fungi/A0A5C3MM61/A0A5C3MM61.dcd b/Fungi/A0A5C3MM61/A0A5C3MM61.dcd new file mode 100644 index 0000000000000000000000000000000000000000..89d9c276b5cdc5c237107b9cc0e6af2139c25414 --- /dev/null +++ b/Fungi/A0A5C3MM61/A0A5C3MM61.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0fe099f4f67c30adb3618509ac4b4a3c8b1bc3bd95a963a69401158ef499e3a6 +size 9080276 diff --git a/Fungi/A0A5C3MM61/top.pdb b/Fungi/A0A5C3MM61/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..bca991393add032c99db93f6074238df28616ab4 --- /dev/null +++ b/Fungi/A0A5C3MM61/top.pdb @@ -0,0 +1,73 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 266.673 239.142 256.288 1.00 0.00 C +ATOM 2 CA ARG A 2 265.222 238.938 259.805 1.00 0.00 C +ATOM 3 CA ASP A 3 267.570 240.954 262.027 1.00 0.00 C +ATOM 4 CA GLU A 4 269.594 240.225 265.172 1.00 0.00 C +ATOM 5 CA ALA A 5 271.407 239.102 268.329 1.00 0.00 C +ATOM 6 CA ALA A 6 273.359 236.360 270.115 1.00 0.00 C +ATOM 7 CA GLU A 7 272.057 232.935 269.074 1.00 0.00 C +ATOM 8 CA ALA A 8 268.856 231.556 267.535 1.00 0.00 C +ATOM 9 CA MET A 9 267.240 234.001 265.101 1.00 0.00 C +ATOM 10 CA ASP A 10 265.473 231.823 262.522 1.00 0.00 C +ATOM 11 CA ASP A 11 262.366 230.555 260.717 1.00 0.00 C +ATOM 12 CA ALA A 12 259.984 227.777 259.656 1.00 0.00 C +ATOM 13 CA ARG A 13 257.132 225.334 260.299 1.00 0.00 C +ATOM 14 CA GLU A 14 254.051 224.759 258.132 1.00 0.00 C +ATOM 15 CA ALA A 15 254.648 226.176 254.646 1.00 0.00 C +ATOM 16 CA ALA A 16 252.962 228.766 252.417 1.00 0.00 C +ATOM 17 CA ASP A 17 250.406 230.018 249.884 1.00 0.00 C +ATOM 18 CA GLU A 18 251.585 232.324 247.090 1.00 0.00 C +ATOM 19 CA GLU A 19 251.693 232.015 243.294 1.00 0.00 C +ATOM 20 CA ARG A 20 252.598 231.368 239.650 1.00 0.00 C +ATOM 21 CA ASP A 21 252.852 229.721 236.223 1.00 0.00 C +ATOM 22 CA GLU A 22 251.815 230.399 232.620 1.00 0.00 C +ATOM 23 CA ILE A 23 249.628 229.891 229.543 1.00 0.00 C +ATOM 24 CA ALA A 24 245.939 229.312 228.786 1.00 0.00 C +ATOM 25 CA GLU A 25 243.834 231.897 230.630 1.00 0.00 C +ATOM 26 CA ASP A 26 242.745 235.476 229.907 1.00 0.00 C +ATOM 27 CA ALA A 27 243.897 238.630 231.707 1.00 0.00 C +ATOM 28 CA GLU A 28 243.531 242.417 231.497 1.00 0.00 C +ATOM 29 CA LEU A 29 243.771 243.369 227.816 1.00 0.00 C +ATOM 30 CA GLU A 30 240.706 244.339 225.772 1.00 0.00 C +ATOM 31 CA MET A 31 241.171 247.501 223.698 1.00 0.00 C +ATOM 32 CA ASP A 32 238.015 249.630 223.540 1.00 0.00 C +ATOM 33 CA GLU A 33 235.358 251.724 225.293 1.00 0.00 C +ATOM 34 CA ALA A 34 236.489 254.849 227.156 1.00 0.00 C +ATOM 35 CA ASP A 35 237.765 253.986 230.640 1.00 0.00 C +ATOM 36 CA GLU A 36 236.561 253.442 234.214 1.00 0.00 C +ATOM 37 CA GLU A 37 235.349 253.919 237.794 1.00 0.00 C +ATOM 38 CA ALA A 38 238.552 254.441 239.791 1.00 0.00 C +ATOM 39 CA GLU A 39 240.602 257.618 240.258 1.00 0.00 C +ATOM 40 CA GLU A 40 238.726 260.742 239.144 1.00 0.00 C +ATOM 41 CA ALA A 41 239.895 264.297 239.858 1.00 0.00 C +ATOM 42 CA GLY A 42 241.238 266.719 237.241 1.00 0.00 C +ATOM 43 CA GLU A 43 243.714 266.638 234.346 1.00 0.00 C +ATOM 44 CA VAL A 44 244.215 269.890 232.426 1.00 0.00 C +ATOM 45 CA ALA A 45 244.161 273.697 232.574 1.00 0.00 C +ATOM 46 CA VAL A 46 240.957 274.596 234.429 1.00 0.00 C +ATOM 47 CA ASP A 47 241.963 275.218 238.051 1.00 0.00 C +ATOM 48 CA GLU A 48 244.139 276.149 241.037 1.00 0.00 C +ATOM 49 CA PRO A 49 245.057 278.006 244.234 1.00 0.00 C +ATOM 50 CA GLU A 50 243.952 277.972 247.880 1.00 0.00 C +ATOM 51 CA GLU A 51 245.544 277.897 251.341 1.00 0.00 C +ATOM 52 CA PRO A 52 245.031 277.256 255.061 1.00 0.00 C +ATOM 53 CA VAL A 53 243.513 273.838 255.785 1.00 0.00 C +ATOM 54 CA GLU A 54 241.081 272.163 258.193 1.00 0.00 C +ATOM 55 CA GLU A 55 240.748 268.492 259.159 1.00 0.00 C +ATOM 56 CA ALA A 56 240.388 267.908 262.907 1.00 0.00 C +ATOM 57 CA PRO A 57 242.378 265.789 265.370 1.00 0.00 C +ATOM 58 CA GLU A 58 246.018 266.274 266.384 1.00 0.00 C +ATOM 59 CA ALA A 59 249.070 265.256 268.426 1.00 0.00 C +ATOM 60 CA ASP A 60 252.477 266.220 269.833 1.00 0.00 C +ATOM 61 CA ASP A 61 252.753 264.935 273.409 1.00 0.00 C +ATOM 62 CA ASP A 62 253.158 261.158 273.104 1.00 0.00 C +ATOM 63 CA GLU A 63 255.860 258.690 272.044 1.00 0.00 C +ATOM 64 CA SER A 64 258.593 257.225 274.258 1.00 0.00 C +ATOM 65 CA GLU A 65 259.738 253.604 274.571 1.00 0.00 C +ATOM 66 CA LYS A 66 257.612 250.484 274.057 1.00 0.00 C +ATOM 67 CA GLY A 67 256.408 247.136 272.694 1.00 0.00 C +ATOM 68 CA GLN A 68 254.351 244.316 271.168 1.00 0.00 C +ATOM 69 CA SER A 69 253.808 240.745 272.382 1.00 0.00 C +TER 70 SER A 69 +END diff --git a/Fungi/A0A5C3MSX9/A0A5C3MSX9.dcd b/Fungi/A0A5C3MSX9/A0A5C3MSX9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..4d9cfd50ef500fd0c06603dbba7dad709eeb8f5b --- /dev/null +++ b/Fungi/A0A5C3MSX9/A0A5C3MSX9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:17cebca4ac1fa8f9d352bef276ea13e5eabeb3e6de386deffcc91aef8422e8fa +size 18440276 diff --git a/Fungi/A0A5C3MSX9/top.pdb b/Fungi/A0A5C3MSX9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..13f14e50a61bcba9c6248a861548714d679e3c41 --- /dev/null +++ b/Fungi/A0A5C3MSX9/top.pdb @@ -0,0 +1,151 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 310.581 259.776 326.397 1.00 0.00 C +ATOM 2 CA SER A 2 307.343 260.127 324.420 1.00 0.00 C +ATOM 3 CA ASP A 3 305.785 257.512 322.128 1.00 0.00 C +ATOM 4 CA GLU A 4 305.890 253.721 321.767 1.00 0.00 C +ATOM 5 CA TYR A 5 308.874 252.394 323.729 1.00 0.00 C +ATOM 6 CA ALA A 6 312.141 250.727 324.759 1.00 0.00 C +ATOM 7 CA SER A 7 311.495 247.606 326.847 1.00 0.00 C +ATOM 8 CA THR A 8 309.697 244.463 328.033 1.00 0.00 C +ATOM 9 CA GLY A 9 309.506 241.277 325.951 1.00 0.00 C +ATOM 10 CA TYR A 10 311.710 238.346 324.919 1.00 0.00 C +ATOM 11 CA LYS A 11 310.550 236.395 321.859 1.00 0.00 C +ATOM 12 CA GLY A 12 308.555 233.307 320.861 1.00 0.00 C +ATOM 13 CA SER A 13 306.930 230.575 322.961 1.00 0.00 C +ATOM 14 CA LEU A 14 306.071 226.907 322.388 1.00 0.00 C +ATOM 15 CA VAL A 15 302.560 225.481 322.779 1.00 0.00 C +ATOM 16 CA ASN A 16 301.507 222.738 320.354 1.00 0.00 C +ATOM 17 CA ASN A 17 298.769 224.134 318.102 1.00 0.00 C +ATOM 18 CA SER A 18 299.105 227.929 318.074 1.00 0.00 C +ATOM 19 CA GLU A 19 297.397 231.227 317.225 1.00 0.00 C +ATOM 20 CA ASP A 20 295.893 234.475 318.530 1.00 0.00 C +ATOM 21 CA GLY A 21 296.261 237.277 315.974 1.00 0.00 C +ATOM 22 CA ARG A 22 295.165 240.869 315.334 1.00 0.00 C +ATOM 23 CA GLU A 23 293.115 243.300 313.236 1.00 0.00 C +ATOM 24 CA LYS A 24 292.916 244.736 309.713 1.00 0.00 C +ATOM 25 CA ILE A 25 293.457 245.522 306.024 1.00 0.00 C +ATOM 26 CA PRO A 26 291.632 248.090 303.882 1.00 0.00 C +ATOM 27 CA ASP A 27 288.587 249.983 302.592 1.00 0.00 C +ATOM 28 CA ALA A 28 289.598 251.700 299.345 1.00 0.00 C +ATOM 29 CA THR A 29 288.087 253.632 296.429 1.00 0.00 C +ATOM 30 CA ALA A 30 286.178 256.071 294.211 1.00 0.00 C +ATOM 31 CA ASN A 31 286.769 257.866 290.903 1.00 0.00 C +ATOM 32 CA TYR A 32 284.822 255.996 288.214 1.00 0.00 C +ATOM 33 CA PRO A 33 283.265 252.731 289.409 1.00 0.00 C +ATOM 34 CA PRO A 34 279.596 251.902 288.803 1.00 0.00 C +ATOM 35 CA GLU A 35 278.667 248.285 289.561 1.00 0.00 C +ATOM 36 CA GLY A 36 279.008 245.766 286.724 1.00 0.00 C +ATOM 37 CA ASP A 37 281.912 246.277 284.311 1.00 0.00 C +ATOM 38 CA SER A 38 284.154 249.153 283.208 1.00 0.00 C +ATOM 39 CA THR A 39 284.882 251.152 280.048 1.00 0.00 C +ATOM 40 CA SER A 40 284.336 254.913 279.773 1.00 0.00 C +ATOM 41 CA SER A 41 282.105 257.252 281.789 1.00 0.00 C +ATOM 42 CA GLY A 42 278.297 257.171 281.697 1.00 0.00 C +ATOM 43 CA GLY A 43 275.963 256.195 278.848 1.00 0.00 C +ATOM 44 CA TRP A 44 276.279 257.811 275.413 1.00 0.00 C +ATOM 45 CA GLY A 45 273.390 260.281 275.150 1.00 0.00 C +ATOM 46 CA SER A 46 270.039 258.501 274.797 1.00 0.00 C +ATOM 47 CA SER A 47 267.916 255.696 273.333 1.00 0.00 C +ATOM 48 CA SER A 48 264.789 253.920 274.590 1.00 0.00 C +ATOM 49 CA ASN A 49 261.416 253.353 272.911 1.00 0.00 C +ATOM 50 CA PRO A 50 260.811 252.779 269.194 1.00 0.00 C +ATOM 51 CA HIS A 51 259.597 250.513 266.382 1.00 0.00 C +ATOM 52 CA SER A 52 259.661 247.674 263.842 1.00 0.00 C +ATOM 53 CA ALA A 53 257.624 244.729 265.144 1.00 0.00 C +ATOM 54 CA ALA A 54 255.247 243.758 262.330 1.00 0.00 C +ATOM 55 CA SER A 55 252.324 242.316 260.357 1.00 0.00 C +ATOM 56 CA GLN A 56 248.976 241.416 258.776 1.00 0.00 C +ATOM 57 CA ARG A 57 249.041 242.609 255.158 1.00 0.00 C +ATOM 58 CA GLY A 58 248.638 243.031 251.393 1.00 0.00 C +ATOM 59 CA HIS A 59 250.860 240.661 249.402 1.00 0.00 C +ATOM 60 CA PRO A 60 248.706 238.406 247.213 1.00 0.00 C +ATOM 61 CA GLU A 61 246.783 239.298 244.047 1.00 0.00 C +ATOM 62 CA LYS A 62 243.731 241.556 244.370 1.00 0.00 C +ATOM 63 CA ALA A 63 240.017 241.613 245.219 1.00 0.00 C +ATOM 64 CA ASP A 64 238.821 238.446 246.968 1.00 0.00 C +ATOM 65 CA ASN A 65 235.554 237.195 245.458 1.00 0.00 C +ATOM 66 CA TYR A 66 233.047 235.377 243.239 1.00 0.00 C +ATOM 67 CA GLY A 67 229.630 233.881 242.464 1.00 0.00 C +ATOM 68 CA LEU A 68 228.286 230.427 241.580 1.00 0.00 C +ATOM 69 CA VAL A 69 226.929 230.647 238.026 1.00 0.00 C +ATOM 70 CA ASP A 70 226.714 232.945 234.995 1.00 0.00 C +ATOM 71 CA GLN A 71 224.308 233.600 232.115 1.00 0.00 C +ATOM 72 CA SER A 72 222.448 234.721 228.984 1.00 0.00 C +ATOM 73 CA ILE A 73 219.323 236.867 228.609 1.00 0.00 C +ATOM 74 CA GLN A 74 220.037 240.547 227.927 1.00 0.00 C +ATOM 75 CA GLY A 75 221.862 243.850 228.455 1.00 0.00 C +ATOM 76 CA GLY A 76 225.577 244.262 229.192 1.00 0.00 C +ATOM 77 CA PRO A 77 227.115 241.619 231.464 1.00 0.00 C +ATOM 78 CA GLY A 78 228.390 238.779 229.267 1.00 0.00 C +ATOM 79 CA ARG A 79 228.989 238.765 225.504 1.00 0.00 C +ATOM 80 CA GLN A 80 230.510 237.899 222.120 1.00 0.00 C +ATOM 81 CA GLU A 81 229.985 237.127 218.426 1.00 0.00 C +ATOM 82 CA GLN A 82 232.291 235.365 215.958 1.00 0.00 C +ATOM 83 CA ASP A 83 233.796 232.552 213.876 1.00 0.00 C +ATOM 84 CA ALA A 84 235.329 233.741 210.597 1.00 0.00 C +ATOM 85 CA GLN A 85 233.613 232.454 207.447 1.00 0.00 C +ATOM 86 CA GLN A 86 229.880 233.144 207.763 1.00 0.00 C +ATOM 87 CA GLY A 87 226.077 233.232 207.984 1.00 0.00 C +ATOM 88 CA VAL A 88 223.410 235.454 209.554 1.00 0.00 C +ATOM 89 CA ASP A 89 221.930 238.689 208.188 1.00 0.00 C +ATOM 90 CA ARG A 90 222.604 241.575 205.794 1.00 0.00 C +ATOM 91 CA SER A 91 225.921 240.871 204.058 1.00 0.00 C +ATOM 92 CA SER A 92 227.819 243.015 201.545 1.00 0.00 C +ATOM 93 CA ARG A 93 226.652 246.225 199.856 1.00 0.00 C +ATOM 94 CA ARG A 94 229.278 248.389 198.143 1.00 0.00 C +ATOM 95 CA GLU A 95 232.916 249.334 197.516 1.00 0.00 C +ATOM 96 CA TYR A 96 235.366 249.782 200.399 1.00 0.00 C +ATOM 97 CA GLU A 97 238.641 248.351 201.719 1.00 0.00 C +ATOM 98 CA HIS A 98 241.956 249.202 200.045 1.00 0.00 C +ATOM 99 CA GLU A 99 243.184 252.804 200.231 1.00 0.00 C +ATOM 100 CA GLN A 100 246.250 254.159 202.043 1.00 0.00 C +ATOM 101 CA SER A 101 249.416 256.251 201.706 1.00 0.00 C +ATOM 102 CA GLN A 102 250.001 259.892 200.751 1.00 0.00 C +ATOM 103 CA GLY A 103 247.758 262.558 202.294 1.00 0.00 C +ATOM 104 CA LEU A 104 245.995 261.804 205.586 1.00 0.00 C +ATOM 105 CA ASN A 105 244.151 258.475 205.773 1.00 0.00 C +ATOM 106 CA PRO A 106 241.352 257.140 207.986 1.00 0.00 C +ATOM 107 CA TYR A 107 238.785 258.387 210.511 1.00 0.00 C +ATOM 108 CA GLY A 108 238.881 261.927 211.917 1.00 0.00 C +ATOM 109 CA ALA A 109 235.770 262.383 214.069 1.00 0.00 C +ATOM 110 CA SER A 110 234.069 261.239 217.280 1.00 0.00 C +ATOM 111 CA SER A 111 232.743 258.289 219.294 1.00 0.00 C +ATOM 112 CA MET A 112 229.301 259.385 220.506 1.00 0.00 C +ATOM 113 CA ASP A 113 225.658 259.394 221.620 1.00 0.00 C +ATOM 114 CA SER A 114 222.942 259.122 218.961 1.00 0.00 C +ATOM 115 CA ARG A 115 223.330 257.297 215.639 1.00 0.00 C +ATOM 116 CA ARG A 116 224.782 259.736 213.097 1.00 0.00 C +ATOM 117 CA ALA A 117 226.080 263.183 212.124 1.00 0.00 C +ATOM 118 CA GLY A 118 225.456 266.196 214.371 1.00 0.00 C +ATOM 119 CA ASP A 119 228.194 267.976 216.334 1.00 0.00 C +ATOM 120 CA GLU A 120 227.058 269.080 219.799 1.00 0.00 C +ATOM 121 CA ALA A 121 225.448 272.252 221.165 1.00 0.00 C +ATOM 122 CA LEU A 122 227.250 273.937 224.069 1.00 0.00 C +ATOM 123 CA ALA A 123 225.809 272.511 227.294 1.00 0.00 C +ATOM 124 CA SER A 124 222.261 271.125 227.203 1.00 0.00 C +ATOM 125 CA LYS A 125 219.858 273.947 226.320 1.00 0.00 C +ATOM 126 CA TYR A 126 218.727 276.707 228.690 1.00 0.00 C +ATOM 127 CA ARG A 127 216.595 276.883 231.843 1.00 0.00 C +ATOM 128 CA GLY A 128 212.856 276.298 231.403 1.00 0.00 C +ATOM 129 CA SER A 129 210.897 273.369 229.954 1.00 0.00 C +ATOM 130 CA ARG A 130 212.275 269.843 230.384 1.00 0.00 C +ATOM 131 CA ASP A 131 214.471 266.879 231.335 1.00 0.00 C +ATOM 132 CA THR A 132 214.084 264.381 228.483 1.00 0.00 C +ATOM 133 CA ASN A 133 211.393 264.226 225.790 1.00 0.00 C +ATOM 134 CA GLU A 134 207.786 265.204 226.527 1.00 0.00 C +ATOM 135 CA TYR A 135 205.039 262.565 226.626 1.00 0.00 C +ATOM 136 CA GLU A 136 203.538 259.366 225.202 1.00 0.00 C +ATOM 137 CA THR A 137 203.270 257.572 221.851 1.00 0.00 C +ATOM 138 CA GLY A 138 205.961 256.006 219.656 1.00 0.00 C +ATOM 139 CA ALA A 139 207.233 258.453 217.028 1.00 0.00 C +ATOM 140 CA THR A 140 207.807 262.195 217.460 1.00 0.00 C +ATOM 141 CA MET A 141 208.728 263.964 214.214 1.00 0.00 C +ATOM 142 CA GLU A 142 206.957 263.976 210.841 1.00 0.00 C +ATOM 143 CA ASN A 143 206.009 261.617 208.003 1.00 0.00 C +ATOM 144 CA ASP A 144 204.810 259.329 205.203 1.00 0.00 C +ATOM 145 CA ILE A 145 206.453 255.931 204.682 1.00 0.00 C +ATOM 146 CA GLY A 146 207.727 252.371 205.153 1.00 0.00 C +ATOM 147 CA ALA A 147 205.617 249.206 205.361 1.00 0.00 C +TER 148 ALA A 147 +END diff --git a/Fungi/A0A5C3MZ61/A0A5C3MZ61.dcd b/Fungi/A0A5C3MZ61/A0A5C3MZ61.dcd new file mode 100644 index 0000000000000000000000000000000000000000..591d7333bd5c7c0ff71bc63e6aa28fa630475a75 --- /dev/null +++ b/Fungi/A0A5C3MZ61/A0A5C3MZ61.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b2472504d6d683b1ee0edf817392cd41b412c5842509c4ac385027eb1463db46 +size 13400276 diff --git a/Fungi/A0A5C3MZ61/top.pdb b/Fungi/A0A5C3MZ61/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3e6be6235b0068e5b36401560c6e6f4689b60480 --- /dev/null +++ b/Fungi/A0A5C3MZ61/top.pdb @@ -0,0 +1,109 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 243.149 234.888 208.164 1.00 0.00 C +ATOM 2 CA GLU A 2 241.854 237.506 210.611 1.00 0.00 C +ATOM 3 CA GLN A 3 241.307 240.773 212.493 1.00 0.00 C +ATOM 4 CA GLU A 4 239.288 244.003 212.430 1.00 0.00 C +ATOM 5 CA GLU A 5 235.868 243.812 210.762 1.00 0.00 C +ATOM 6 CA VAL A 6 233.329 241.425 209.220 1.00 0.00 C +ATOM 7 CA GLU A 7 233.152 239.223 206.116 1.00 0.00 C +ATOM 8 CA VAL A 8 230.951 239.227 203.006 1.00 0.00 C +ATOM 9 CA SER A 9 229.902 237.581 199.734 1.00 0.00 C +ATOM 10 CA GLY A 10 232.728 238.280 197.275 1.00 0.00 C +ATOM 11 CA ALA A 11 236.502 238.752 197.048 1.00 0.00 C +ATOM 12 CA ASN A 12 237.917 236.324 199.621 1.00 0.00 C +ATOM 13 CA VAL A 13 238.339 235.851 203.378 1.00 0.00 C +ATOM 14 CA PRO A 14 237.403 233.441 206.177 1.00 0.00 C +ATOM 15 CA TYR A 15 236.355 231.557 209.318 1.00 0.00 C +ATOM 16 CA TRP A 16 233.089 231.004 211.199 1.00 0.00 C +ATOM 17 CA ILE A 17 233.457 230.082 214.878 1.00 0.00 C +ATOM 18 CA GLU A 18 236.781 230.284 216.730 1.00 0.00 C +ATOM 19 CA GLU A 19 240.125 229.479 215.092 1.00 0.00 C +ATOM 20 CA GLU A 20 243.506 228.087 216.164 1.00 0.00 C +ATOM 21 CA GLU A 21 246.597 227.720 218.361 1.00 0.00 C +ATOM 22 CA ILE A 22 249.476 227.611 220.855 1.00 0.00 C +ATOM 23 CA TRP A 23 249.491 226.145 224.371 1.00 0.00 C +ATOM 24 CA ALA A 24 252.930 224.621 224.976 1.00 0.00 C +ATOM 25 CA ASP A 25 256.001 222.784 223.668 1.00 0.00 C +ATOM 26 CA ASP A 26 259.665 222.370 222.708 1.00 0.00 C +ATOM 27 CA GLU A 27 260.715 220.398 219.622 1.00 0.00 C +ATOM 28 CA ALA A 28 263.253 221.302 216.927 1.00 0.00 C +ATOM 29 CA ASP A 29 261.646 224.024 214.801 1.00 0.00 C +ATOM 30 CA GLY A 30 260.059 227.406 214.050 1.00 0.00 C +ATOM 31 CA ASP A 31 257.440 229.822 215.400 1.00 0.00 C +ATOM 32 CA TRP A 32 257.322 230.090 219.198 1.00 0.00 C +ATOM 33 CA GLY A 33 255.207 231.768 221.887 1.00 0.00 C +ATOM 34 CA ASP A 34 253.230 232.446 225.073 1.00 0.00 C +ATOM 35 CA ASP A 35 253.349 236.068 226.250 1.00 0.00 C +ATOM 36 CA ASP A 36 253.426 239.301 224.237 1.00 0.00 C +ATOM 37 CA LYS A 37 256.766 240.767 223.135 1.00 0.00 C +ATOM 38 CA ASN A 38 259.204 242.587 225.428 1.00 0.00 C +ATOM 39 CA ASN A 39 261.326 245.745 225.231 1.00 0.00 C +ATOM 40 CA ASP A 40 259.852 248.454 227.468 1.00 0.00 C +ATOM 41 CA ASP A 41 258.122 248.134 230.847 1.00 0.00 C +ATOM 42 CA ASP A 42 255.131 246.515 232.564 1.00 0.00 C +ATOM 43 CA ASP A 43 254.887 242.715 232.423 1.00 0.00 C +ATOM 44 CA ASP A 44 254.390 239.013 231.670 1.00 0.00 C +ATOM 45 CA ASP A 45 254.621 237.104 234.959 1.00 0.00 C +ATOM 46 CA ASP A 46 255.391 239.160 238.073 1.00 0.00 C +ATOM 47 CA ASP A 47 256.121 242.782 239.001 1.00 0.00 C +ATOM 48 CA ASP A 48 256.795 246.530 239.140 1.00 0.00 C +ATOM 49 CA ASP A 49 258.229 250.043 238.796 1.00 0.00 C +ATOM 50 CA ASP A 50 257.806 253.818 238.509 1.00 0.00 C +ATOM 51 CA ASP A 51 256.427 255.680 241.534 1.00 0.00 C +ATOM 52 CA ASP A 52 256.332 257.522 244.868 1.00 0.00 C +ATOM 53 CA GLU A 53 259.306 257.670 247.245 1.00 0.00 C +ATOM 54 CA GLU A 54 261.676 257.887 250.220 1.00 0.00 C +ATOM 55 CA GLU A 55 265.008 256.091 250.653 1.00 0.00 C +ATOM 56 CA GLU A 56 268.545 256.305 252.053 1.00 0.00 C +ATOM 57 CA GLU A 57 269.771 259.848 251.377 1.00 0.00 C +ATOM 58 CA GLU A 58 267.709 261.823 248.854 1.00 0.00 C +ATOM 59 CA GLU A 59 264.436 263.737 249.226 1.00 0.00 C +ATOM 60 CA GLU A 60 264.106 265.799 252.413 1.00 0.00 C +ATOM 61 CA LEU A 61 264.055 269.545 251.720 1.00 0.00 C +ATOM 62 CA GLN A 62 264.176 272.167 254.482 1.00 0.00 C +ATOM 63 CA PHE A 63 263.153 272.743 258.106 1.00 0.00 C +ATOM 64 CA GLU A 64 262.280 276.151 259.567 1.00 0.00 C +ATOM 65 CA ALA A 65 260.157 277.052 262.600 1.00 0.00 C +ATOM 66 CA ASP A 66 261.402 277.229 266.196 1.00 0.00 C +ATOM 67 CA GLU A 67 259.699 275.197 268.932 1.00 0.00 C +ATOM 68 CA MET A 68 255.900 274.924 269.013 1.00 0.00 C +ATOM 69 CA ARG A 69 253.516 272.075 269.861 1.00 0.00 C +ATOM 70 CA GLY A 70 252.462 268.604 268.695 1.00 0.00 C +ATOM 71 CA SER A 71 251.440 266.062 271.342 1.00 0.00 C +ATOM 72 CA ASP A 72 249.376 263.185 272.751 1.00 0.00 C +ATOM 73 CA GLU A 73 249.350 259.376 272.698 1.00 0.00 C +ATOM 74 CA MET A 74 252.774 258.210 273.894 1.00 0.00 C +ATOM 75 CA LEU A 75 256.201 257.508 275.404 1.00 0.00 C +ATOM 76 CA VAL A 76 255.973 254.646 277.908 1.00 0.00 C +ATOM 77 CA ASP A 77 252.553 253.427 279.063 1.00 0.00 C +ATOM 78 CA ASP A 78 249.220 254.413 277.501 1.00 0.00 C +ATOM 79 CA PRO A 79 245.649 255.371 278.417 1.00 0.00 C +ATOM 80 CA ASP A 80 244.623 253.136 281.328 1.00 0.00 C +ATOM 81 CA GLY A 81 242.514 254.077 284.358 1.00 0.00 C +ATOM 82 CA ALA A 82 242.568 255.774 287.769 1.00 0.00 C +ATOM 83 CA ASN A 83 241.274 256.929 291.161 1.00 0.00 C +ATOM 84 CA ASN A 84 238.277 258.935 292.392 1.00 0.00 C +ATOM 85 CA MET A 85 237.316 262.577 291.819 1.00 0.00 C +ATOM 86 CA ASN A 86 239.382 265.764 292.111 1.00 0.00 C +ATOM 87 CA ILE A 87 242.174 265.435 294.683 1.00 0.00 C +ATOM 88 CA GLU A 88 245.138 267.686 295.496 1.00 0.00 C +ATOM 89 CA GLU A 89 246.102 270.402 297.988 1.00 0.00 C +ATOM 90 CA THR A 90 246.409 274.109 298.814 1.00 0.00 C +ATOM 91 CA GLY A 91 244.382 274.733 301.979 1.00 0.00 C +ATOM 92 CA ASP A 92 241.375 272.713 303.162 1.00 0.00 C +ATOM 93 CA SER A 93 238.220 271.087 301.777 1.00 0.00 C +ATOM 94 CA ASP A 94 238.482 267.286 301.761 1.00 0.00 C +ATOM 95 CA ALA A 95 237.096 265.860 305.011 1.00 0.00 C +ATOM 96 CA ILE A 96 239.801 263.898 306.841 1.00 0.00 C +ATOM 97 CA SER A 97 243.183 262.148 306.709 1.00 0.00 C +ATOM 98 CA SER A 98 242.951 259.538 303.943 1.00 0.00 C +ATOM 99 CA ALA A 99 245.683 260.485 301.462 1.00 0.00 C +ATOM 100 CA THR A 100 245.528 258.419 298.264 1.00 0.00 C +ATOM 101 CA ILE A 101 247.138 258.930 294.849 1.00 0.00 C +ATOM 102 CA GLY A 102 248.486 256.228 292.526 1.00 0.00 C +ATOM 103 CA LEU A 103 248.759 252.653 291.238 1.00 0.00 C +ATOM 104 CA THR A 104 251.895 250.882 292.482 1.00 0.00 C +ATOM 105 CA PHE A 105 255.141 251.246 294.443 1.00 0.00 C +TER 106 PHE A 105 +END diff --git a/Fungi/A0A5D3B0X8/A0A5D3B0X8.dcd b/Fungi/A0A5D3B0X8/A0A5D3B0X8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b159936659111de083f22578deffc80da8f934c0 --- /dev/null +++ b/Fungi/A0A5D3B0X8/A0A5D3B0X8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dea116b0ebf2cb5018fe6e3ff5d722e9c71c8411293d9c7f9dfbb3eadc906294 +size 17960276 diff --git a/Fungi/A0A5D3B0X8/top.pdb b/Fungi/A0A5D3B0X8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..6952a063628f3b86e3d213bbdd6a39063b9e0c2b --- /dev/null +++ b/Fungi/A0A5D3B0X8/top.pdb @@ -0,0 +1,147 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 244.439 226.295 259.473 1.00 0.00 C +ATOM 2 CA ASN A 2 240.952 224.860 260.017 1.00 0.00 C +ATOM 3 CA ALA A 3 238.855 221.997 261.405 1.00 0.00 C +ATOM 4 CA ALA A 4 237.726 219.410 263.964 1.00 0.00 C +ATOM 5 CA GLY A 5 236.365 219.689 267.512 1.00 0.00 C +ATOM 6 CA PRO A 6 232.856 218.395 268.238 1.00 0.00 C +ATOM 7 CA PRO A 7 230.903 215.128 268.083 1.00 0.00 C +ATOM 8 CA PRO A 8 230.279 212.200 270.440 1.00 0.00 C +ATOM 9 CA ILE A 9 230.763 212.598 274.198 1.00 0.00 C +ATOM 10 CA PRO A 10 228.208 213.820 276.746 1.00 0.00 C +ATOM 11 CA ALA A 11 227.490 217.559 276.892 1.00 0.00 C +ATOM 12 CA GLU A 12 226.348 220.630 274.948 1.00 0.00 C +ATOM 13 CA HIS A 13 228.558 223.131 273.111 1.00 0.00 C +ATOM 14 CA TYR A 14 227.477 226.261 271.226 1.00 0.00 C +ATOM 15 CA PRO A 15 226.569 225.553 267.595 1.00 0.00 C +ATOM 16 CA ARG A 16 223.168 224.336 266.382 1.00 0.00 C +ATOM 17 CA PRO A 17 223.235 222.661 262.961 1.00 0.00 C +ATOM 18 CA PRO A 18 224.227 219.975 260.447 1.00 0.00 C +ATOM 19 CA SER A 19 226.061 217.027 262.016 1.00 0.00 C +ATOM 20 CA GLU A 20 229.272 215.371 260.805 1.00 0.00 C +ATOM 21 CA ALA A 21 231.308 216.452 257.772 1.00 0.00 C +ATOM 22 CA ASP A 22 233.437 217.078 254.675 1.00 0.00 C +ATOM 23 CA LEU A 23 234.137 215.733 251.179 1.00 0.00 C +ATOM 24 CA ARG A 24 233.646 213.156 248.416 1.00 0.00 C +ATOM 25 CA ALA A 25 232.639 212.951 244.747 1.00 0.00 C +ATOM 26 CA ARG A 26 232.482 215.985 242.448 1.00 0.00 C +ATOM 27 CA SER A 27 233.969 219.475 242.102 1.00 0.00 C +ATOM 28 CA PRO A 28 237.065 219.488 244.323 1.00 0.00 C +ATOM 29 CA GLU A 29 240.610 220.136 243.088 1.00 0.00 C +ATOM 30 CA ARG A 30 243.797 221.194 244.888 1.00 0.00 C +ATOM 31 CA THR A 31 243.331 221.740 248.629 1.00 0.00 C +ATOM 32 CA PRO A 32 240.225 220.248 250.256 1.00 0.00 C +ATOM 33 CA SER A 33 237.076 221.786 251.749 1.00 0.00 C +ATOM 34 CA LEU A 34 237.518 224.221 254.646 1.00 0.00 C +ATOM 35 CA THR A 35 237.381 227.998 254.162 1.00 0.00 C +ATOM 36 CA SER A 36 240.467 230.193 254.578 1.00 0.00 C +ATOM 37 CA ARG A 37 241.336 233.135 252.318 1.00 0.00 C +ATOM 38 CA ASP A 38 244.546 235.076 252.988 1.00 0.00 C +ATOM 39 CA SER A 39 247.211 237.564 251.885 1.00 0.00 C +ATOM 40 CA ALA A 40 250.432 238.522 253.681 1.00 0.00 C +ATOM 41 CA SER A 41 252.555 241.101 251.848 1.00 0.00 C +ATOM 42 CA ALA A 42 254.509 244.292 252.564 1.00 0.00 C +ATOM 43 CA SER A 43 253.278 247.886 252.275 1.00 0.00 C +ATOM 44 CA SER A 44 249.780 248.022 253.779 1.00 0.00 C +ATOM 45 CA ASP A 45 246.004 248.358 253.399 1.00 0.00 C +ATOM 46 CA ARG A 46 243.210 247.469 255.832 1.00 0.00 C +ATOM 47 CA LEU A 47 243.683 248.722 259.399 1.00 0.00 C +ATOM 48 CA ALA A 48 242.218 251.900 260.905 1.00 0.00 C +ATOM 49 CA SER A 49 240.288 255.099 261.652 1.00 0.00 C +ATOM 50 CA PRO A 50 240.065 257.402 264.679 1.00 0.00 C +ATOM 51 CA SER A 51 242.388 258.234 267.583 1.00 0.00 C +ATOM 52 CA ASN A 52 242.000 261.750 268.998 1.00 0.00 C +ATOM 53 CA GLU A 53 240.895 262.928 272.448 1.00 0.00 C +ATOM 54 CA TYR A 54 243.480 264.073 275.002 1.00 0.00 C +ATOM 55 CA MET A 55 246.537 264.525 277.231 1.00 0.00 C +ATOM 56 CA LEU A 56 245.912 264.840 280.977 1.00 0.00 C +ATOM 57 CA PRO A 57 248.383 263.461 283.528 1.00 0.00 C +ATOM 58 CA PRO A 58 247.580 261.469 286.674 1.00 0.00 C +ATOM 59 CA PRO A 59 246.922 263.785 289.627 1.00 0.00 C +ATOM 60 CA VAL A 60 246.458 267.429 288.616 1.00 0.00 C +ATOM 61 CA ARG A 61 245.537 270.007 285.966 1.00 0.00 C +ATOM 62 CA HIS A 62 246.471 273.693 286.195 1.00 0.00 C +ATOM 63 CA GLY A 63 248.360 275.785 283.631 1.00 0.00 C +ATOM 64 CA TYR A 64 251.295 275.576 281.211 1.00 0.00 C +ATOM 65 CA GLU A 65 254.821 274.481 282.151 1.00 0.00 C +ATOM 66 CA VAL A 66 256.463 271.071 282.589 1.00 0.00 C +ATOM 67 CA HIS A 67 258.469 269.063 285.130 1.00 0.00 C +ATOM 68 CA GLU A 68 258.988 271.246 288.209 1.00 0.00 C +ATOM 69 CA LYS A 69 262.502 272.389 289.139 1.00 0.00 C +ATOM 70 CA SER A 70 265.115 274.663 287.552 1.00 0.00 C +ATOM 71 CA VAL A 71 266.158 274.818 283.891 1.00 0.00 C +ATOM 72 CA ASP A 72 266.989 272.079 281.377 1.00 0.00 C +ATOM 73 CA LYS A 73 265.820 270.526 278.099 1.00 0.00 C +ATOM 74 CA ALA A 74 263.563 267.463 278.282 1.00 0.00 C +ATOM 75 CA PRO A 75 262.100 264.069 279.208 1.00 0.00 C +ATOM 76 CA ASP A 76 260.624 261.004 277.491 1.00 0.00 C +ATOM 77 CA GLU A 77 257.333 259.109 277.806 1.00 0.00 C +ATOM 78 CA ALA A 78 256.369 257.220 274.641 1.00 0.00 C +ATOM 79 CA ARG A 79 255.116 259.314 271.715 1.00 0.00 C +ATOM 80 CA PRO A 80 254.505 258.359 268.077 1.00 0.00 C +ATOM 81 CA ARG A 81 253.242 257.838 264.521 1.00 0.00 C +ATOM 82 CA TYR A 82 254.798 256.909 261.169 1.00 0.00 C +ATOM 83 CA TRP A 83 254.285 257.995 257.553 1.00 0.00 C +ATOM 84 CA GLN A 84 255.426 259.494 254.242 1.00 0.00 C +ATOM 85 CA LEU A 85 254.323 257.882 250.971 1.00 0.00 C +ATOM 86 CA PRO A 86 254.831 254.130 250.546 1.00 0.00 C +ATOM 87 CA ALA A 87 256.188 252.078 247.637 1.00 0.00 C +ATOM 88 CA MET A 88 253.931 250.909 244.798 1.00 0.00 C +ATOM 89 CA SER A 89 250.328 250.824 243.563 1.00 0.00 C +ATOM 90 CA GLN A 90 247.440 252.717 241.953 1.00 0.00 C +ATOM 91 CA ALA A 91 244.737 254.065 244.274 1.00 0.00 C +ATOM 92 CA PRO A 92 241.963 255.460 242.066 1.00 0.00 C +ATOM 93 CA ALA A 93 243.574 258.011 239.739 1.00 0.00 C +ATOM 94 CA ARG A 94 245.593 257.518 236.546 1.00 0.00 C +ATOM 95 CA GLY A 95 246.783 256.371 233.113 1.00 0.00 C +ATOM 96 CA GLY A 96 244.334 254.769 230.673 1.00 0.00 C +ATOM 97 CA ARG A 97 241.802 252.388 229.113 1.00 0.00 C +ATOM 98 CA GLU A 98 243.126 251.627 225.622 1.00 0.00 C +ATOM 99 CA LEU A 99 243.164 252.554 221.927 1.00 0.00 C +ATOM 100 CA PRO A 100 241.448 254.787 219.360 1.00 0.00 C +ATOM 101 CA PRO A 101 239.876 253.992 215.982 1.00 0.00 C +ATOM 102 CA LEU A 102 241.392 255.093 212.665 1.00 0.00 C +ATOM 103 CA ARG A 103 241.020 257.212 209.520 1.00 0.00 C +ATOM 104 CA ASP A 104 241.294 261.009 209.677 1.00 0.00 C +ATOM 105 CA VAL A 105 240.911 262.783 213.027 1.00 0.00 C +ATOM 106 CA ALA A 106 242.069 263.905 216.479 1.00 0.00 C +ATOM 107 CA LYS A 107 240.656 262.566 219.754 1.00 0.00 C +ATOM 108 CA GLU A 108 243.352 263.069 222.399 1.00 0.00 C +ATOM 109 CA ARG A 109 244.211 266.686 223.231 1.00 0.00 C +ATOM 110 CA SER A 110 243.322 267.815 226.760 1.00 0.00 C +ATOM 111 CA VAL A 111 239.781 266.644 227.537 1.00 0.00 C +ATOM 112 CA SER A 112 239.644 262.869 228.038 1.00 0.00 C +ATOM 113 CA PRO A 113 241.963 260.704 230.147 1.00 0.00 C +ATOM 114 CA LYS A 114 245.222 260.339 228.207 1.00 0.00 C +ATOM 115 CA GLU A 115 248.032 262.091 226.323 1.00 0.00 C +ATOM 116 CA THR A 116 249.561 263.434 223.102 1.00 0.00 C +ATOM 117 CA ALA A 117 252.639 265.638 222.671 1.00 0.00 C +ATOM 118 CA GLY A 118 253.910 268.382 224.988 1.00 0.00 C +ATOM 119 CA ARG A 119 256.977 269.159 227.111 1.00 0.00 C +ATOM 120 CA ASP A 120 259.658 270.465 224.740 1.00 0.00 C +ATOM 121 CA ARG A 121 261.913 273.458 225.429 1.00 0.00 C +ATOM 122 CA SER A 122 264.772 274.044 222.979 1.00 0.00 C +ATOM 123 CA GLY A 123 265.859 276.631 220.403 1.00 0.00 C +ATOM 124 CA GLY A 124 266.583 275.246 216.928 1.00 0.00 C +ATOM 125 CA GLY A 125 265.569 271.634 216.265 1.00 0.00 C +ATOM 126 CA ILE A 126 266.337 268.319 217.978 1.00 0.00 C +ATOM 127 CA GLU A 127 268.736 265.383 218.354 1.00 0.00 C +ATOM 128 CA MET A 128 271.389 263.118 219.886 1.00 0.00 C +ATOM 129 CA LEU A 129 274.115 263.667 222.490 1.00 0.00 C +ATOM 130 CA LEU A 130 276.541 261.486 224.458 1.00 0.00 C +ATOM 131 CA ASP A 131 275.365 257.871 224.206 1.00 0.00 C +ATOM 132 CA ALA A 132 277.363 255.315 226.204 1.00 0.00 C +ATOM 133 CA GLY A 133 280.059 253.078 224.708 1.00 0.00 C +ATOM 134 CA MET A 134 283.334 254.782 223.765 1.00 0.00 C +ATOM 135 CA ARG A 135 285.880 256.538 225.990 1.00 0.00 C +ATOM 136 CA GLY A 136 286.627 254.488 229.113 1.00 0.00 C +ATOM 137 CA LEU A 137 290.391 253.985 229.417 1.00 0.00 C +ATOM 138 CA GLU A 138 291.804 253.844 225.881 1.00 0.00 C +ATOM 139 CA SER A 139 295.407 255.067 225.681 1.00 0.00 C +ATOM 140 CA GLU A 140 295.806 258.242 227.748 1.00 0.00 C +ATOM 141 CA ARG A 141 293.037 260.859 227.766 1.00 0.00 C +ATOM 142 CA THR A 142 290.495 263.361 229.105 1.00 0.00 C +ATOM 143 CA ARG A 143 286.700 263.695 229.140 1.00 0.00 C +TER 144 ARG A 143 +END diff --git a/Fungi/A0A5K1JYI5/A0A5K1JYI5.dcd b/Fungi/A0A5K1JYI5/A0A5K1JYI5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..cae436a7737d3d0194b261575bdbe4529123b3ba --- /dev/null +++ b/Fungi/A0A5K1JYI5/A0A5K1JYI5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:96188fba9f7302aaeda9a97cf858f4b770f8e82fcf4d672254da0f5daf5dade0 +size 13760276 diff --git a/Fungi/A0A5K1JYI5/top.pdb b/Fungi/A0A5K1JYI5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..76c5b84eff16b3dacfb4f40e4aa9865375edb0a4 --- /dev/null +++ b/Fungi/A0A5K1JYI5/top.pdb @@ -0,0 +1,112 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 226.135 277.896 238.121 1.00 0.00 C +ATOM 2 CA CYS A 2 227.798 274.578 237.257 1.00 0.00 C +ATOM 3 CA LEU A 3 229.812 271.576 238.458 1.00 0.00 C +ATOM 4 CA SER A 4 232.498 269.132 237.304 1.00 0.00 C +ATOM 5 CA GLY A 5 232.529 266.057 235.054 1.00 0.00 C +ATOM 6 CA GLN A 6 234.713 263.095 234.068 1.00 0.00 C +ATOM 7 CA THR A 7 234.021 259.350 234.145 1.00 0.00 C +ATOM 8 CA ASP A 8 231.193 256.880 234.793 1.00 0.00 C +ATOM 9 CA THR A 9 230.241 255.574 238.243 1.00 0.00 C +ATOM 10 CA ALA A 10 226.707 254.215 238.670 1.00 0.00 C +ATOM 11 CA SER A 11 225.826 253.439 242.295 1.00 0.00 C +ATOM 12 CA GLY A 12 225.079 250.910 245.044 1.00 0.00 C +ATOM 13 CA VAL A 13 226.054 248.420 247.758 1.00 0.00 C +ATOM 14 CA ALA A 14 229.554 247.063 248.410 1.00 0.00 C +ATOM 15 CA ASP A 15 231.925 246.970 245.429 1.00 0.00 C +ATOM 16 CA GLY A 16 231.266 243.947 243.206 1.00 0.00 C +ATOM 17 CA GLY A 17 234.227 241.629 242.596 1.00 0.00 C +ATOM 18 CA ALA A 18 237.507 239.811 243.271 1.00 0.00 C +ATOM 19 CA GLU A 19 240.675 237.811 243.966 1.00 0.00 C +ATOM 20 CA GLY A 20 240.306 234.159 242.947 1.00 0.00 C +ATOM 21 CA ALA A 21 243.026 231.678 243.929 1.00 0.00 C +ATOM 22 CA GLY A 22 241.506 228.587 245.557 1.00 0.00 C +ATOM 23 CA GLU A 23 239.930 227.264 248.764 1.00 0.00 C +ATOM 24 CA ASP A 24 238.530 229.433 251.566 1.00 0.00 C +ATOM 25 CA GLU A 25 235.761 231.815 250.481 1.00 0.00 C +ATOM 26 CA VAL A 26 232.661 233.977 249.997 1.00 0.00 C +ATOM 27 CA GLU A 27 230.170 236.107 248.054 1.00 0.00 C +ATOM 28 CA ASP A 28 229.537 237.268 244.481 1.00 0.00 C +ATOM 29 CA ALA A 29 226.004 238.475 243.719 1.00 0.00 C +ATOM 30 CA SER A 30 224.678 241.788 245.053 1.00 0.00 C +ATOM 31 CA LYS A 31 224.144 244.206 242.157 1.00 0.00 C +ATOM 32 CA ASP A 32 225.782 246.703 239.791 1.00 0.00 C +ATOM 33 CA THR A 33 224.345 246.982 236.274 1.00 0.00 C +ATOM 34 CA ALA A 34 226.551 246.487 233.207 1.00 0.00 C +ATOM 35 CA ASP A 35 228.476 244.042 231.009 1.00 0.00 C +ATOM 36 CA ASP A 36 231.146 241.780 232.516 1.00 0.00 C +ATOM 37 CA LYS A 37 232.819 238.414 233.140 1.00 0.00 C +ATOM 38 CA PRO A 38 233.733 237.078 229.691 1.00 0.00 C +ATOM 39 CA ARG A 39 235.092 238.845 226.602 1.00 0.00 C +ATOM 40 CA PRO A 40 237.732 241.397 227.620 1.00 0.00 C +ATOM 41 CA GLY A 41 238.360 244.875 226.198 1.00 0.00 C +ATOM 42 CA LYS A 42 241.257 246.401 224.250 1.00 0.00 C +ATOM 43 CA THR A 43 243.481 248.703 222.184 1.00 0.00 C +ATOM 44 CA LYS A 44 244.433 252.236 223.244 1.00 0.00 C +ATOM 45 CA GLY A 45 242.652 254.709 220.957 1.00 0.00 C +ATOM 46 CA LYS A 46 238.849 254.876 220.817 1.00 0.00 C +ATOM 47 CA TRP A 47 236.462 253.147 218.403 1.00 0.00 C +ATOM 48 CA ARG A 48 232.938 254.541 218.011 1.00 0.00 C +ATOM 49 CA TYR A 49 232.042 258.231 218.334 1.00 0.00 C +ATOM 50 CA ARG A 50 229.849 260.521 220.445 1.00 0.00 C +ATOM 51 CA LYS A 51 228.257 259.754 223.820 1.00 0.00 C +ATOM 52 CA ARG A 52 230.710 257.933 226.097 1.00 0.00 C +ATOM 53 CA GLY A 53 232.693 255.445 228.193 1.00 0.00 C +ATOM 54 CA ASN A 54 236.061 254.662 229.793 1.00 0.00 C +ATOM 55 CA ARG A 55 238.990 255.401 232.115 1.00 0.00 C +ATOM 56 CA ARG A 56 240.208 256.712 235.479 1.00 0.00 C +ATOM 57 CA ALA A 57 240.853 259.526 237.965 1.00 0.00 C +ATOM 58 CA ASP A 58 244.431 260.530 238.807 1.00 0.00 C +ATOM 59 CA GLN A 59 246.725 259.340 241.607 1.00 0.00 C +ATOM 60 CA ASP A 60 248.448 259.930 244.953 1.00 0.00 C +ATOM 61 CA ASN A 61 252.066 260.326 246.080 1.00 0.00 C +ATOM 62 CA GLU A 62 254.629 261.367 248.699 1.00 0.00 C +ATOM 63 CA GLN A 63 255.929 264.711 249.982 1.00 0.00 C +ATOM 64 CA PRO A 64 253.622 267.485 248.757 1.00 0.00 C +ATOM 65 CA GLN A 65 250.767 268.156 251.189 1.00 0.00 C +ATOM 66 CA ASP A 66 249.392 271.588 250.269 1.00 0.00 C +ATOM 67 CA ASP A 67 249.154 275.390 250.222 1.00 0.00 C +ATOM 68 CA GLU A 68 249.268 277.523 253.377 1.00 0.00 C +ATOM 69 CA PRO A 69 249.291 274.978 256.212 1.00 0.00 C +ATOM 70 CA ALA A 70 252.037 274.592 258.825 1.00 0.00 C +ATOM 71 CA ASP A 71 251.009 272.217 261.620 1.00 0.00 C +ATOM 72 CA ALA A 72 252.860 269.799 263.910 1.00 0.00 C +ATOM 73 CA GLU A 73 255.378 267.096 264.841 1.00 0.00 C +ATOM 74 CA ALA A 74 258.070 264.809 266.268 1.00 0.00 C +ATOM 75 CA ASP A 75 257.931 262.006 268.846 1.00 0.00 C +ATOM 76 CA ASP A 76 258.242 258.578 267.213 1.00 0.00 C +ATOM 77 CA MET A 77 258.161 256.158 264.271 1.00 0.00 C +ATOM 78 CA ASP A 78 256.403 252.943 263.229 1.00 0.00 C +ATOM 79 CA VAL A 79 256.044 249.243 262.392 1.00 0.00 C +ATOM 80 CA ASP A 80 257.931 246.914 260.040 1.00 0.00 C +ATOM 81 CA ARG A 81 261.399 246.057 258.715 1.00 0.00 C +ATOM 82 CA GLU A 82 265.055 246.554 259.663 1.00 0.00 C +ATOM 83 CA THR A 83 268.709 245.478 259.554 1.00 0.00 C +ATOM 84 CA THR A 84 271.470 248.061 259.087 1.00 0.00 C +ATOM 85 CA SER A 85 271.850 250.797 261.710 1.00 0.00 C +ATOM 86 CA ALA A 86 274.045 250.650 264.821 1.00 0.00 C +ATOM 87 CA GLN A 87 275.551 252.865 267.530 1.00 0.00 C +ATOM 88 CA GLU A 88 278.057 250.776 269.498 1.00 0.00 C +ATOM 89 CA ILE A 89 280.053 247.713 268.424 1.00 0.00 C +ATOM 90 CA PRO A 90 280.932 245.325 271.259 1.00 0.00 C +ATOM 91 CA GLU A 91 283.052 242.172 271.551 1.00 0.00 C +ATOM 92 CA ASP A 92 284.240 240.991 268.129 1.00 0.00 C +ATOM 93 CA ASP A 93 287.940 241.857 267.851 1.00 0.00 C +ATOM 94 CA GLU A 94 290.650 241.413 270.491 1.00 0.00 C +ATOM 95 CA ASP A 95 291.039 240.057 274.031 1.00 0.00 C +ATOM 96 CA ASP A 96 292.400 237.330 276.317 1.00 0.00 C +ATOM 97 CA GLY A 97 290.793 236.525 279.676 1.00 0.00 C +ATOM 98 CA PRO A 98 288.846 234.015 281.780 1.00 0.00 C +ATOM 99 CA GLU A 99 288.981 230.307 280.912 1.00 0.00 C +ATOM 100 CA ILE A 100 287.045 229.757 277.678 1.00 0.00 C +ATOM 101 CA GLY A 101 283.367 228.846 278.077 1.00 0.00 C +ATOM 102 CA GLU A 102 280.946 231.223 279.811 1.00 0.00 C +ATOM 103 CA GLY A 103 281.588 234.725 281.167 1.00 0.00 C +ATOM 104 CA ASP A 104 283.628 235.774 284.209 1.00 0.00 C +ATOM 105 CA TYR A 105 282.965 234.906 287.859 1.00 0.00 C +ATOM 106 CA GLU A 106 285.321 237.046 289.955 1.00 0.00 C +ATOM 107 CA LEU A 107 286.453 238.691 293.199 1.00 0.00 C +ATOM 108 CA LEU A 108 288.053 241.900 294.487 1.00 0.00 C +TER 109 LEU A 108 +END diff --git a/Fungi/A0A5K1K678/A0A5K1K678.dcd b/Fungi/A0A5K1K678/A0A5K1K678.dcd new file mode 100644 index 0000000000000000000000000000000000000000..1ed37646af71b9be24d66be9c87c2d21c76a6d81 --- /dev/null +++ b/Fungi/A0A5K1K678/A0A5K1K678.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e7ed047c2750f62c01ef2619431cbceaa88e5272a8dc641aade0ab131aa88cc8 +size 13400276 diff --git a/Fungi/A0A5K1K678/top.pdb b/Fungi/A0A5K1K678/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..361189bef5860a070ecc5fc38f563f1d299a0f35 --- /dev/null +++ b/Fungi/A0A5K1K678/top.pdb @@ -0,0 +1,109 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 239.567 226.219 239.250 1.00 0.00 C +ATOM 2 CA SER A 2 241.599 223.997 236.916 1.00 0.00 C +ATOM 3 CA GLY A 3 241.828 224.622 233.165 1.00 0.00 C +ATOM 4 CA HIS A 4 243.556 225.777 229.972 1.00 0.00 C +ATOM 5 CA SER A 5 243.426 229.541 229.399 1.00 0.00 C +ATOM 6 CA LEU A 6 241.050 232.519 229.437 1.00 0.00 C +ATOM 7 CA PRO A 7 238.477 233.887 226.983 1.00 0.00 C +ATOM 8 CA GLY A 8 234.689 233.880 226.568 1.00 0.00 C +ATOM 9 CA CYS A 9 231.393 232.576 225.171 1.00 0.00 C +ATOM 10 CA SER A 10 230.004 229.144 224.271 1.00 0.00 C +ATOM 11 CA THR A 11 230.889 225.504 224.965 1.00 0.00 C +ATOM 12 CA LYS A 12 229.207 222.442 226.486 1.00 0.00 C +ATOM 13 CA THR A 13 229.529 218.677 226.967 1.00 0.00 C +ATOM 14 CA GLU A 14 230.957 217.378 230.253 1.00 0.00 C +ATOM 15 CA THR A 15 229.278 217.690 233.659 1.00 0.00 C +ATOM 16 CA THR A 16 227.241 216.761 236.741 1.00 0.00 C +ATOM 17 CA SER A 17 226.368 216.796 240.450 1.00 0.00 C +ATOM 18 CA THR A 18 228.372 219.358 242.433 1.00 0.00 C +ATOM 19 CA LEU A 19 228.959 223.119 242.612 1.00 0.00 C +ATOM 20 CA SER A 20 231.746 224.354 244.896 1.00 0.00 C +ATOM 21 CA ALA A 21 231.015 224.257 248.634 1.00 0.00 C +ATOM 22 CA ASN A 22 229.851 227.511 250.238 1.00 0.00 C +ATOM 23 CA GLY A 23 233.036 229.248 251.402 1.00 0.00 C +ATOM 24 CA GLY A 24 236.104 230.985 249.957 1.00 0.00 C +ATOM 25 CA HIS A 25 237.893 234.308 250.477 1.00 0.00 C +ATOM 26 CA GLU A 26 239.887 235.820 247.604 1.00 0.00 C +ATOM 27 CA THR A 27 240.706 239.540 247.716 1.00 0.00 C +ATOM 28 CA PRO A 28 240.571 243.256 248.546 1.00 0.00 C +ATOM 29 CA GLU A 29 238.324 245.583 250.559 1.00 0.00 C +ATOM 30 CA LYS A 30 237.385 248.319 248.079 1.00 0.00 C +ATOM 31 CA ILE A 31 237.013 252.109 247.959 1.00 0.00 C +ATOM 32 CA PRO A 32 239.257 254.878 246.613 1.00 0.00 C +ATOM 33 CA PRO A 33 241.196 253.839 243.502 1.00 0.00 C +ATOM 34 CA TRP A 34 244.236 251.698 244.335 1.00 0.00 C +ATOM 35 CA ARG A 35 246.832 250.536 241.800 1.00 0.00 C +ATOM 36 CA ASP A 36 250.130 250.750 239.903 1.00 0.00 C +ATOM 37 CA LEU A 37 252.768 251.310 242.594 1.00 0.00 C +ATOM 38 CA GLN A 38 251.585 252.034 246.143 1.00 0.00 C +ATOM 39 CA ARG A 39 251.110 252.325 249.912 1.00 0.00 C +ATOM 40 CA LYS A 40 251.803 253.820 253.347 1.00 0.00 C +ATOM 41 CA GLY A 41 254.273 256.695 252.960 1.00 0.00 C +ATOM 42 CA ALA A 42 256.029 256.657 249.579 1.00 0.00 C +ATOM 43 CA PHE A 43 259.728 257.569 249.523 1.00 0.00 C +ATOM 44 CA ILE A 44 263.225 257.841 248.036 1.00 0.00 C +ATOM 45 CA THR A 45 265.661 255.991 250.307 1.00 0.00 C +ATOM 46 CA PRO A 46 269.090 254.605 249.391 1.00 0.00 C +ATOM 47 CA ASP A 47 271.561 257.309 248.344 1.00 0.00 C +ATOM 48 CA ASP A 48 274.719 256.256 246.492 1.00 0.00 C +ATOM 49 CA PRO A 49 278.226 255.302 247.635 1.00 0.00 C +ATOM 50 CA GLU A 50 280.127 256.642 250.653 1.00 0.00 C +ATOM 51 CA THR A 51 283.050 254.887 252.353 1.00 0.00 C +ATOM 52 CA LYS A 52 286.350 254.386 250.516 1.00 0.00 C +ATOM 53 CA ARG A 53 288.592 252.126 248.423 1.00 0.00 C +ATOM 54 CA LYS A 54 288.832 252.761 244.674 1.00 0.00 C +ATOM 55 CA THR A 55 287.791 251.419 241.264 1.00 0.00 C +ATOM 56 CA ARG A 56 288.540 254.281 238.863 1.00 0.00 C +ATOM 57 CA ASP A 57 286.230 257.267 239.368 1.00 0.00 C +ATOM 58 CA LYS A 58 284.272 256.500 242.546 1.00 0.00 C +ATOM 59 CA MET A 59 280.615 255.618 241.943 1.00 0.00 C +ATOM 60 CA ARG A 60 279.592 255.674 238.273 1.00 0.00 C +ATOM 61 CA PHE A 61 277.218 254.416 235.572 1.00 0.00 C +ATOM 62 CA LYS A 62 273.603 253.289 235.150 1.00 0.00 C +ATOM 63 CA VAL A 63 272.207 250.921 237.788 1.00 0.00 C +ATOM 64 CA ARG A 64 272.169 247.728 239.866 1.00 0.00 C +ATOM 65 CA ARG A 65 269.206 246.966 242.137 1.00 0.00 C +ATOM 66 CA ALA A 66 268.403 249.198 245.119 1.00 0.00 C +ATOM 67 CA GLN A 67 265.270 248.653 247.217 1.00 0.00 C +ATOM 68 CA LYS A 68 261.567 247.993 246.611 1.00 0.00 C +ATOM 69 CA ARG A 69 258.578 246.162 248.104 1.00 0.00 C +ATOM 70 CA TRP A 70 256.291 245.348 251.040 1.00 0.00 C +ATOM 71 CA ARG A 71 257.184 243.592 254.301 1.00 0.00 C +ATOM 72 CA GLU A 72 255.866 245.078 257.552 1.00 0.00 C +ATOM 73 CA LYS A 73 255.958 243.179 260.854 1.00 0.00 C +ATOM 74 CA GLN A 74 257.904 243.639 264.097 1.00 0.00 C +ATOM 75 CA ALA A 75 257.182 245.024 267.572 1.00 0.00 C +ATOM 76 CA LYS A 76 253.384 244.898 267.844 1.00 0.00 C +ATOM 77 CA ASP A 77 249.663 245.096 267.047 1.00 0.00 C +ATOM 78 CA THR A 78 246.168 246.466 266.397 1.00 0.00 C +ATOM 79 CA GLN A 79 243.819 249.375 265.667 1.00 0.00 C +ATOM 80 CA SER A 80 245.763 252.348 264.290 1.00 0.00 C +ATOM 81 CA GLU A 81 243.567 255.461 264.269 1.00 0.00 C +ATOM 82 CA SER A 82 243.800 259.061 265.495 1.00 0.00 C +ATOM 83 CA LYS A 83 241.273 260.397 268.013 1.00 0.00 C +ATOM 84 CA ASP A 84 238.486 262.990 267.856 1.00 0.00 C +ATOM 85 CA ASP A 85 236.320 265.826 269.193 1.00 0.00 C +ATOM 86 CA ASP A 86 234.373 267.440 266.344 1.00 0.00 C +ATOM 87 CA SER A 87 234.148 269.912 263.453 1.00 0.00 C +ATOM 88 CA GLU A 88 236.700 272.731 263.684 1.00 0.00 C +ATOM 89 CA ALA A 89 236.362 276.333 262.488 1.00 0.00 C +ATOM 90 CA ASP A 90 233.012 276.908 260.767 1.00 0.00 C +ATOM 91 CA ALA A 91 231.087 279.199 263.125 1.00 0.00 C +ATOM 92 CA ASP A 92 229.766 277.229 266.107 1.00 0.00 C +ATOM 93 CA ALA A 93 229.985 277.847 269.860 1.00 0.00 C +ATOM 94 CA VAL A 94 233.223 276.397 271.249 1.00 0.00 C +ATOM 95 CA ALA A 95 236.459 276.742 269.267 1.00 0.00 C +ATOM 96 CA SER A 96 240.164 275.854 269.301 1.00 0.00 C +ATOM 97 CA MET A 97 242.254 277.767 266.755 1.00 0.00 C +ATOM 98 CA LEU A 98 242.153 279.068 263.175 1.00 0.00 C +ATOM 99 CA LEU A 99 245.624 278.633 261.666 1.00 0.00 C +ATOM 100 CA GLY A 100 248.748 276.734 260.593 1.00 0.00 C +ATOM 101 CA SER A 101 251.615 274.270 261.066 1.00 0.00 C +ATOM 102 CA PRO A 102 252.166 273.660 264.787 1.00 0.00 C +ATOM 103 CA ASN A 103 252.144 274.584 268.483 1.00 0.00 C +ATOM 104 CA ASP A 104 251.125 274.440 272.151 1.00 0.00 C +ATOM 105 CA ILE A 105 252.703 274.996 275.574 1.00 0.00 C +TER 106 ILE A 105 +END diff --git a/Fungi/A0A5N6FKJ2/A0A5N6FKJ2.dcd b/Fungi/A0A5N6FKJ2/A0A5N6FKJ2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..46a98bfd086987cc21863bdf8723ec41bf502309 --- /dev/null +++ b/Fungi/A0A5N6FKJ2/A0A5N6FKJ2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:97bd8e6fdac2b24edc384a01b382a772cae7f13075c29f7f08e0f53369c750d4 +size 24320276 diff --git a/Fungi/A0A5N6FKJ2/top.pdb b/Fungi/A0A5N6FKJ2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..23e06da42c9a9ad7d4d1b1cfc04daac79c41ea3f --- /dev/null +++ b/Fungi/A0A5N6FKJ2/top.pdb @@ -0,0 +1,200 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 182.419 266.299 220.199 1.00 0.00 C +ATOM 2 CA SER A 2 182.888 264.081 223.261 1.00 0.00 C +ATOM 3 CA GLU A 3 183.021 264.925 226.974 1.00 0.00 C +ATOM 4 CA PRO A 4 186.081 266.946 228.008 1.00 0.00 C +ATOM 5 CA GLY A 5 188.837 267.337 230.609 1.00 0.00 C +ATOM 6 CA PRO A 6 191.483 269.827 229.463 1.00 0.00 C +ATOM 7 CA GLU A 7 192.496 273.448 230.080 1.00 0.00 C +ATOM 8 CA SER A 8 193.839 276.866 229.065 1.00 0.00 C +ATOM 9 CA ILE A 9 197.527 276.726 228.122 1.00 0.00 C +ATOM 10 CA PRO A 10 199.291 275.925 231.403 1.00 0.00 C +ATOM 11 CA THR A 11 202.845 276.152 232.758 1.00 0.00 C +ATOM 12 CA SER A 12 206.613 275.607 232.892 1.00 0.00 C +ATOM 13 CA ALA A 13 207.492 272.939 235.466 1.00 0.00 C +ATOM 14 CA ASP A 14 209.895 270.839 237.547 1.00 0.00 C +ATOM 15 CA PRO A 15 212.850 273.120 238.306 1.00 0.00 C +ATOM 16 CA ARG A 16 214.753 276.148 236.990 1.00 0.00 C +ATOM 17 CA SER A 17 218.449 276.459 236.121 1.00 0.00 C +ATOM 18 CA HIS A 18 220.958 279.310 235.818 1.00 0.00 C +ATOM 19 CA ARG A 19 221.154 282.555 233.831 1.00 0.00 C +ATOM 20 CA PRO A 20 221.932 286.260 233.403 1.00 0.00 C +ATOM 21 CA VAL A 21 222.001 289.672 231.707 1.00 0.00 C +ATOM 22 CA LYS A 22 221.429 289.216 227.968 1.00 0.00 C +ATOM 23 CA ARG A 23 222.284 290.069 224.355 1.00 0.00 C +ATOM 24 CA ARG A 24 225.687 289.305 222.820 1.00 0.00 C +ATOM 25 CA ALA A 25 228.264 286.898 224.262 1.00 0.00 C +ATOM 26 CA VAL A 26 229.974 283.554 224.901 1.00 0.00 C +ATOM 27 CA THR A 27 232.124 280.802 223.379 1.00 0.00 C +ATOM 28 CA ALA A 28 233.735 277.365 223.045 1.00 0.00 C +ATOM 29 CA GLN A 29 236.293 276.401 225.699 1.00 0.00 C +ATOM 30 CA SER A 30 239.344 274.492 224.448 1.00 0.00 C +ATOM 31 CA GLU A 31 242.019 272.830 222.304 1.00 0.00 C +ATOM 32 CA GLN A 32 241.304 269.389 220.833 1.00 0.00 C +ATOM 33 CA ALA A 33 241.390 269.593 217.030 1.00 0.00 C +ATOM 34 CA SER A 34 239.909 268.840 213.601 1.00 0.00 C +ATOM 35 CA GLN A 35 238.179 271.771 211.889 1.00 0.00 C +ATOM 36 CA ILE A 36 238.084 273.822 208.679 1.00 0.00 C +ATOM 37 CA ASN A 37 237.952 271.470 205.685 1.00 0.00 C +ATOM 38 CA SER A 38 241.398 271.116 204.101 1.00 0.00 C +ATOM 39 CA LEU A 39 243.688 268.511 202.522 1.00 0.00 C +ATOM 40 CA PHE A 40 243.178 265.012 201.103 1.00 0.00 C +ATOM 41 CA ARG A 41 244.438 263.309 197.937 1.00 0.00 C +ATOM 42 CA ASP A 42 247.421 260.939 197.864 1.00 0.00 C +ATOM 43 CA PRO A 43 249.164 259.521 200.940 1.00 0.00 C +ATOM 44 CA SER A 44 247.746 261.336 203.975 1.00 0.00 C +ATOM 45 CA LYS A 45 247.226 259.874 207.455 1.00 0.00 C +ATOM 46 CA GLU A 46 247.586 261.863 210.685 1.00 0.00 C +ATOM 47 CA ILE A 47 247.243 263.088 214.277 1.00 0.00 C +ATOM 48 CA ARG A 48 247.053 260.423 216.993 1.00 0.00 C +ATOM 49 CA LEU A 49 248.334 261.163 220.504 1.00 0.00 C +ATOM 50 CA PRO A 50 249.479 264.204 222.493 1.00 0.00 C +ATOM 51 CA ASP A 51 251.738 266.959 223.843 1.00 0.00 C +ATOM 52 CA SER A 52 249.530 268.939 226.235 1.00 0.00 C +ATOM 53 CA PHE A 53 251.189 271.604 228.394 1.00 0.00 C +ATOM 54 CA LYS A 54 254.478 270.013 229.475 1.00 0.00 C +ATOM 55 CA GLN A 55 254.796 267.020 231.811 1.00 0.00 C +ATOM 56 CA ARG A 56 256.449 264.796 234.425 1.00 0.00 C +ATOM 57 CA SER A 57 259.080 264.352 237.146 1.00 0.00 C +ATOM 58 CA SER A 58 262.782 264.348 236.247 1.00 0.00 C +ATOM 59 CA ALA A 59 266.448 265.067 235.500 1.00 0.00 C +ATOM 60 CA SER A 60 268.423 267.602 237.547 1.00 0.00 C +ATOM 61 CA LEU A 61 266.533 268.266 240.788 1.00 0.00 C +ATOM 62 CA PRO A 62 266.232 270.343 243.968 1.00 0.00 C +ATOM 63 CA PRO A 63 263.420 268.744 245.981 1.00 0.00 C +ATOM 64 CA PRO A 64 261.171 266.935 243.494 1.00 0.00 C +ATOM 65 CA PRO A 65 262.278 263.421 242.522 1.00 0.00 C +ATOM 66 CA GLU A 66 263.795 260.193 243.862 1.00 0.00 C +ATOM 67 CA ILE A 67 264.236 256.982 241.859 1.00 0.00 C +ATOM 68 CA VAL A 68 263.542 253.514 240.444 1.00 0.00 C +ATOM 69 CA ALA A 69 263.348 250.900 237.678 1.00 0.00 C +ATOM 70 CA ASN A 70 264.718 247.466 236.759 1.00 0.00 C +ATOM 71 CA VAL A 71 266.691 245.738 239.522 1.00 0.00 C +ATOM 72 CA GLN A 72 268.267 243.780 242.386 1.00 0.00 C +ATOM 73 CA GLY A 73 271.426 242.897 244.325 1.00 0.00 C +ATOM 74 CA SER A 74 273.958 241.217 242.027 1.00 0.00 C +ATOM 75 CA SER A 75 272.653 241.038 238.452 1.00 0.00 C +ATOM 76 CA ALA A 76 273.140 239.412 235.041 1.00 0.00 C +ATOM 77 CA GLY A 77 273.010 235.958 233.439 1.00 0.00 C +ATOM 78 CA ALA A 78 275.014 235.453 230.238 1.00 0.00 C +ATOM 79 CA GLY A 79 276.471 237.031 227.091 1.00 0.00 C +ATOM 80 CA SER A 80 273.923 237.793 224.362 1.00 0.00 C +ATOM 81 CA GLY A 81 270.775 236.805 222.458 1.00 0.00 C +ATOM 82 CA GLU A 82 269.756 239.109 219.600 1.00 0.00 C +ATOM 83 CA PHE A 83 272.236 239.899 216.817 1.00 0.00 C +ATOM 84 CA HIS A 84 272.379 240.860 213.133 1.00 0.00 C +ATOM 85 CA VAL A 85 272.777 243.617 210.534 1.00 0.00 C +ATOM 86 CA TYR A 86 270.466 246.055 208.735 1.00 0.00 C +ATOM 87 CA LYS A 87 271.042 249.741 207.964 1.00 0.00 C +ATOM 88 CA ALA A 88 270.282 252.634 205.604 1.00 0.00 C +ATOM 89 CA SER A 89 268.468 255.596 204.037 1.00 0.00 C +ATOM 90 CA ARG A 90 265.804 256.801 206.480 1.00 0.00 C +ATOM 91 CA ARG A 91 262.258 258.133 206.887 1.00 0.00 C +ATOM 92 CA ARG A 92 261.228 260.949 209.238 1.00 0.00 C +ATOM 93 CA GLU A 93 260.283 260.436 212.893 1.00 0.00 C +ATOM 94 CA TYR A 94 260.593 260.023 216.668 1.00 0.00 C +ATOM 95 CA GLU A 95 259.723 262.548 219.385 1.00 0.00 C +ATOM 96 CA ARG A 96 256.496 263.101 221.333 1.00 0.00 C +ATOM 97 CA ILE A 97 256.357 262.281 225.051 1.00 0.00 C +ATOM 98 CA ARG A 98 258.590 261.782 228.098 1.00 0.00 C +ATOM 99 CA MET A 99 261.647 263.932 227.358 1.00 0.00 C +ATOM 100 CA MET A 100 265.276 263.409 228.394 1.00 0.00 C +ATOM 101 CA GLU A 101 267.240 260.341 229.511 1.00 0.00 C +ATOM 102 CA SER A 102 266.842 256.558 229.300 1.00 0.00 C +ATOM 103 CA GLU A 103 266.061 254.439 232.369 1.00 0.00 C +ATOM 104 CA VAL A 104 268.081 251.392 233.441 1.00 0.00 C +ATOM 105 CA SER A 105 268.501 247.933 231.901 1.00 0.00 C +ATOM 106 CA LYS A 106 267.243 244.506 230.809 1.00 0.00 C +ATOM 107 CA GLU A 107 266.631 243.315 227.242 1.00 0.00 C +ATOM 108 CA LYS A 108 266.672 239.529 226.820 1.00 0.00 C +ATOM 109 CA GLU A 109 263.851 238.240 224.607 1.00 0.00 C +ATOM 110 CA ASP A 110 263.921 235.573 221.887 1.00 0.00 C +ATOM 111 CA GLN A 111 261.767 232.926 220.192 1.00 0.00 C +ATOM 112 CA ASP A 112 259.367 230.275 221.507 1.00 0.00 C +ATOM 113 CA TRP A 113 256.063 232.066 222.133 1.00 0.00 C +ATOM 114 CA GLU A 114 255.697 232.579 225.890 1.00 0.00 C +ATOM 115 CA ARG A 115 258.724 232.255 228.182 1.00 0.00 C +ATOM 116 CA GLN A 116 261.307 234.870 229.184 1.00 0.00 C +ATOM 117 CA ARG A 117 261.413 237.485 231.953 1.00 0.00 C +ATOM 118 CA GLU A 118 264.091 236.629 234.525 1.00 0.00 C +ATOM 119 CA GLU A 119 266.845 234.072 235.154 1.00 0.00 C +ATOM 120 CA ALA A 120 269.286 234.742 238.001 1.00 0.00 C +ATOM 121 CA ARG A 121 268.160 235.376 241.586 1.00 0.00 C +ATOM 122 CA ARG A 122 265.679 235.278 244.476 1.00 0.00 C +ATOM 123 CA LYS A 123 263.676 237.771 246.547 1.00 0.00 C +ATOM 124 CA ASP A 124 261.853 240.910 247.704 1.00 0.00 C +ATOM 125 CA ASP A 125 260.757 243.075 250.641 1.00 0.00 C +ATOM 126 CA GLU A 126 262.233 246.541 250.069 1.00 0.00 C +ATOM 127 CA LYS A 127 262.170 249.138 247.282 1.00 0.00 C +ATOM 128 CA THR A 128 264.165 252.284 248.083 1.00 0.00 C +ATOM 129 CA ALA A 129 265.829 254.949 250.237 1.00 0.00 C +ATOM 130 CA LYS A 130 264.874 255.385 253.899 1.00 0.00 C +ATOM 131 CA ASN A 131 263.673 252.767 256.393 1.00 0.00 C +ATOM 132 CA ARG A 132 262.018 253.262 259.789 1.00 0.00 C +ATOM 133 CA LYS A 133 260.841 250.302 261.878 1.00 0.00 C +ATOM 134 CA ARG A 134 260.643 251.584 265.460 1.00 0.00 C +ATOM 135 CA ARG A 135 259.394 253.460 268.532 1.00 0.00 C +ATOM 136 CA GLU A 136 258.069 254.664 271.895 1.00 0.00 C +ATOM 137 CA LYS A 137 257.038 251.720 274.084 1.00 0.00 C +ATOM 138 CA ARG A 138 255.347 252.819 277.316 1.00 0.00 C +ATOM 139 CA ASN A 139 252.203 254.916 276.834 1.00 0.00 C +ATOM 140 CA ALA A 140 248.956 255.790 275.042 1.00 0.00 C +ATOM 141 CA ALA A 141 246.053 256.692 277.338 1.00 0.00 C +ATOM 142 CA LYS A 142 244.067 257.775 280.403 1.00 0.00 C +ATOM 143 CA ASN A 143 241.575 257.296 283.246 1.00 0.00 C +ATOM 144 CA LYS A 144 240.708 256.582 286.887 1.00 0.00 C +ATOM 145 CA ILE A 145 239.546 252.971 287.234 1.00 0.00 C +ATOM 146 CA LYS A 146 236.134 251.726 288.386 1.00 0.00 C +ATOM 147 CA PRO A 147 234.728 248.276 287.588 1.00 0.00 C +ATOM 148 CA THR A 148 234.644 246.902 284.036 1.00 0.00 C +ATOM 149 CA SER A 149 234.104 243.137 284.268 1.00 0.00 C +ATOM 150 CA SER A 150 236.445 240.169 283.800 1.00 0.00 C +ATOM 151 CA ASN A 151 236.843 236.386 284.022 1.00 0.00 C +ATOM 152 CA GLY A 152 239.409 234.115 285.688 1.00 0.00 C +ATOM 153 CA LYS A 153 242.656 232.139 285.944 1.00 0.00 C +ATOM 154 CA GLY A 154 243.770 229.619 283.311 1.00 0.00 C +ATOM 155 CA PRO A 155 246.728 227.663 284.702 1.00 0.00 C +ATOM 156 CA ALA A 156 248.014 224.356 283.313 1.00 0.00 C +ATOM 157 CA MET A 157 251.592 224.837 282.096 1.00 0.00 C +ATOM 158 CA LEU A 158 255.225 223.800 282.591 1.00 0.00 C +ATOM 159 CA ALA A 159 256.940 222.639 285.789 1.00 0.00 C +ATOM 160 CA GLY A 160 256.926 224.037 289.333 1.00 0.00 C +ATOM 161 CA ASP A 161 258.318 224.143 292.878 1.00 0.00 C +ATOM 162 CA THR A 162 255.403 224.685 295.271 1.00 0.00 C +ATOM 163 CA PRO A 163 251.723 225.154 294.403 1.00 0.00 C +ATOM 164 CA THR A 164 251.144 227.942 291.871 1.00 0.00 C +ATOM 165 CA LYS A 165 251.798 231.691 291.686 1.00 0.00 C +ATOM 166 CA GLY A 166 254.563 233.715 293.350 1.00 0.00 C +ATOM 167 CA ALA A 167 257.427 234.652 295.683 1.00 0.00 C +ATOM 168 CA LEU A 168 256.303 234.608 299.323 1.00 0.00 C +ATOM 169 CA SER A 169 256.601 232.648 302.577 1.00 0.00 C +ATOM 170 CA GLY A 170 255.614 230.810 305.765 1.00 0.00 C +ATOM 171 CA PHE A 171 256.401 227.086 305.591 1.00 0.00 C +ATOM 172 CA ASP A 172 259.397 226.654 307.904 1.00 0.00 C +ATOM 173 CA LYS A 173 261.853 229.448 308.730 1.00 0.00 C +ATOM 174 CA ASN A 174 265.549 228.563 308.995 1.00 0.00 C +ATOM 175 CA ARG A 175 269.281 227.844 309.260 1.00 0.00 C +ATOM 176 CA ASP A 176 269.836 224.079 309.084 1.00 0.00 C +ATOM 177 CA GLU A 177 268.324 221.191 307.112 1.00 0.00 C +ATOM 178 CA ASP A 178 264.883 219.566 306.925 1.00 0.00 C +ATOM 179 CA GLN A 179 261.802 217.985 308.515 1.00 0.00 C +ATOM 180 CA SER A 180 259.327 215.721 310.322 1.00 0.00 C +ATOM 181 CA LEU A 181 257.124 216.583 313.309 1.00 0.00 C +ATOM 182 CA PRO A 182 255.812 215.044 316.538 1.00 0.00 C +ATOM 183 CA VAL A 183 256.689 211.500 317.629 1.00 0.00 C +ATOM 184 CA ASP A 184 254.341 209.027 315.931 1.00 0.00 C +ATOM 185 CA ALA A 185 250.744 208.752 317.155 1.00 0.00 C +ATOM 186 CA VAL A 186 248.008 210.578 319.078 1.00 0.00 C +ATOM 187 CA GLU A 187 247.513 214.059 320.547 1.00 0.00 C +ATOM 188 CA GLN A 188 245.529 216.200 318.099 1.00 0.00 C +ATOM 189 CA PRO A 189 246.855 216.586 314.548 1.00 0.00 C +ATOM 190 CA GLY A 190 250.338 218.077 314.145 1.00 0.00 C +ATOM 191 CA VAL A 191 250.861 221.831 313.757 1.00 0.00 C +ATOM 192 CA ILE A 192 251.949 223.545 310.534 1.00 0.00 C +ATOM 193 CA ILE A 193 250.418 227.033 310.475 1.00 0.00 C +ATOM 194 CA HIS A 194 246.704 227.630 311.080 1.00 0.00 C +ATOM 195 CA GLU A 195 242.981 228.415 311.286 1.00 0.00 C +ATOM 196 CA ASP A 196 241.365 231.009 309.012 1.00 0.00 C +TER 197 ASP A 196 +END diff --git a/Fungi/A0A5N6FZP0/A0A5N6FZP0.dcd b/Fungi/A0A5N6FZP0/A0A5N6FZP0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..cbdbad78c2642c34898f5303fdcdb4ac24917ddd --- /dev/null +++ b/Fungi/A0A5N6FZP0/A0A5N6FZP0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0e9fda452847d393aa4898bea9a3846dbe0baf23c9a5fc2fb98fa08bbe337bf1 +size 16280276 diff --git a/Fungi/A0A5N6FZP0/top.pdb b/Fungi/A0A5N6FZP0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..de28b10c259e0c03aa9076a254c10ead11736906 --- /dev/null +++ b/Fungi/A0A5N6FZP0/top.pdb @@ -0,0 +1,133 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 259.646 271.977 238.845 1.00 0.00 C +ATOM 2 CA SER A 2 255.866 272.285 238.482 1.00 0.00 C +ATOM 3 CA GLY A 3 253.177 274.304 240.273 1.00 0.00 C +ATOM 4 CA GLU A 4 250.564 274.241 243.044 1.00 0.00 C +ATOM 5 CA HIS A 5 249.499 275.974 246.266 1.00 0.00 C +ATOM 6 CA THR A 6 247.203 278.831 245.224 1.00 0.00 C +ATOM 7 CA HIS A 7 245.784 282.364 245.369 1.00 0.00 C +ATOM 8 CA ALA A 8 245.856 284.963 248.153 1.00 0.00 C +ATOM 9 CA ASN A 9 244.780 288.606 248.449 1.00 0.00 C +ATOM 10 CA GLN A 10 245.165 291.354 245.838 1.00 0.00 C +ATOM 11 CA HIS A 11 247.874 293.905 246.656 1.00 0.00 C +ATOM 12 CA PRO A 12 249.665 294.830 243.423 1.00 0.00 C +ATOM 13 CA VAL A 13 251.577 298.078 242.866 1.00 0.00 C +ATOM 14 CA THR A 14 250.110 301.523 242.160 1.00 0.00 C +ATOM 15 CA GLY A 15 248.436 301.360 238.741 1.00 0.00 C +ATOM 16 CA THR A 16 246.851 302.698 235.546 1.00 0.00 C +ATOM 17 CA ARG A 17 245.772 299.559 233.675 1.00 0.00 C +ATOM 18 CA GLY A 18 247.394 296.118 233.897 1.00 0.00 C +ATOM 19 CA GLY A 19 251.120 296.178 234.692 1.00 0.00 C +ATOM 20 CA ALA A 20 254.561 295.700 233.130 1.00 0.00 C +ATOM 21 CA SER A 21 257.998 296.074 231.529 1.00 0.00 C +ATOM 22 CA ALA A 22 260.339 294.004 229.348 1.00 0.00 C +ATOM 23 CA GLU A 23 259.536 292.070 226.165 1.00 0.00 C +ATOM 24 CA PRO A 24 259.896 288.373 227.011 1.00 0.00 C +ATOM 25 CA THR A 25 260.900 286.655 223.762 1.00 0.00 C +ATOM 26 CA PRO A 26 261.791 286.064 220.105 1.00 0.00 C +ATOM 27 CA ALA A 27 262.885 288.786 217.673 1.00 0.00 C +ATOM 28 CA ASN A 28 264.669 291.509 219.652 1.00 0.00 C +ATOM 29 CA ASN A 29 264.963 291.985 223.421 1.00 0.00 C +ATOM 30 CA VAL A 30 267.880 290.437 225.320 1.00 0.00 C +ATOM 31 CA GLY A 31 267.233 287.201 227.225 1.00 0.00 C +ATOM 32 CA GLY A 32 266.275 283.732 228.476 1.00 0.00 C +ATOM 33 CA GLY A 33 268.061 280.394 228.905 1.00 0.00 C +ATOM 34 CA ARG A 34 265.732 277.806 227.357 1.00 0.00 C +ATOM 35 CA GLY A 35 263.734 276.129 230.134 1.00 0.00 C +ATOM 36 CA TRP A 36 263.820 272.351 230.616 1.00 0.00 C +ATOM 37 CA GLY A 37 267.272 270.928 231.375 1.00 0.00 C +ATOM 38 CA ASP A 38 268.460 267.523 230.145 1.00 0.00 C +ATOM 39 CA THR A 39 269.529 264.002 229.160 1.00 0.00 C +ATOM 40 CA GLY A 40 272.856 262.239 229.742 1.00 0.00 C +ATOM 41 CA PHE A 41 272.990 258.647 231.007 1.00 0.00 C +ATOM 42 CA PHE A 42 271.052 256.223 228.796 1.00 0.00 C +ATOM 43 CA LYS A 43 268.131 254.084 229.980 1.00 0.00 C +ATOM 44 CA GLY A 44 269.240 250.904 231.761 1.00 0.00 C +ATOM 45 CA GLY A 45 272.263 249.126 233.250 1.00 0.00 C +ATOM 46 CA THR A 46 272.005 245.344 232.866 1.00 0.00 C +ATOM 47 CA ASP A 47 271.890 241.535 232.862 1.00 0.00 C +ATOM 48 CA GLU A 48 269.667 238.777 231.461 1.00 0.00 C +ATOM 49 CA GLY A 49 266.900 238.112 233.995 1.00 0.00 C +ATOM 50 CA PRO A 50 265.128 237.689 237.341 1.00 0.00 C +ATOM 51 CA GLY A 51 262.811 235.895 239.775 1.00 0.00 C +ATOM 52 CA HIS A 52 259.333 237.380 240.239 1.00 0.00 C +ATOM 53 CA ILE A 53 256.044 236.309 241.837 1.00 0.00 C +ATOM 54 CA SER A 54 255.296 232.832 243.201 1.00 0.00 C +ATOM 55 CA GLY A 55 256.099 230.986 246.437 1.00 0.00 C +ATOM 56 CA LYS A 56 254.435 230.868 249.862 1.00 0.00 C +ATOM 57 CA ILE A 57 253.351 228.504 252.646 1.00 0.00 C +ATOM 58 CA LYS A 58 250.590 228.012 255.225 1.00 0.00 C +ATOM 59 CA THR A 59 251.604 229.377 258.635 1.00 0.00 C +ATOM 60 CA SER A 60 251.117 226.972 261.549 1.00 0.00 C +ATOM 61 CA TYR A 61 247.507 227.048 262.766 1.00 0.00 C +ATOM 62 CA SER A 62 244.826 229.687 263.365 1.00 0.00 C +ATOM 63 CA SER A 63 243.518 232.473 261.119 1.00 0.00 C +ATOM 64 CA ALA A 64 241.202 235.237 262.350 1.00 0.00 C +ATOM 65 CA ASN A 65 241.980 238.934 261.861 1.00 0.00 C +ATOM 66 CA GLU A 66 239.734 240.282 259.094 1.00 0.00 C +ATOM 67 CA PHE A 67 241.599 240.419 255.774 1.00 0.00 C +ATOM 68 CA SER A 68 242.585 243.152 253.310 1.00 0.00 C +ATOM 69 CA SER A 69 246.016 242.817 251.688 1.00 0.00 C +ATOM 70 CA LEU A 70 248.718 243.074 249.014 1.00 0.00 C +ATOM 71 CA ARG A 71 251.858 243.181 246.858 1.00 0.00 C +ATOM 72 CA ASP A 72 252.212 240.825 243.884 1.00 0.00 C +ATOM 73 CA GLN A 73 248.669 239.581 243.237 1.00 0.00 C +ATOM 74 CA LYS A 74 248.312 235.804 243.589 1.00 0.00 C +ATOM 75 CA ASN A 75 246.212 233.641 245.919 1.00 0.00 C +ATOM 76 CA MET A 76 244.637 235.945 248.513 1.00 0.00 C +ATOM 77 CA ALA A 77 246.019 235.187 251.982 1.00 0.00 C +ATOM 78 CA GLU A 78 246.448 233.245 255.231 1.00 0.00 C +ATOM 79 CA GLN A 79 243.951 230.369 255.321 1.00 0.00 C +ATOM 80 CA ASN A 80 243.023 227.082 257.010 1.00 0.00 C +ATOM 81 CA PHE A 81 242.747 223.567 258.454 1.00 0.00 C +ATOM 82 CA MET A 82 244.496 220.185 258.309 1.00 0.00 C +ATOM 83 CA GLY A 83 246.409 217.470 256.442 1.00 0.00 C +ATOM 84 CA ARG A 84 245.656 213.870 255.449 1.00 0.00 C +ATOM 85 CA THR A 85 245.128 210.271 254.315 1.00 0.00 C +ATOM 86 CA HIS A 86 242.282 207.781 253.852 1.00 0.00 C +ATOM 87 CA ARG A 87 238.545 208.383 253.417 1.00 0.00 C +ATOM 88 CA GLU A 88 235.702 210.396 251.875 1.00 0.00 C +ATOM 89 CA ALA A 89 233.641 212.379 249.358 1.00 0.00 C +ATOM 90 CA GLY A 90 232.620 215.947 250.222 1.00 0.00 C +ATOM 91 CA GLU A 91 233.997 219.441 250.864 1.00 0.00 C +ATOM 92 CA ASN A 92 233.192 222.945 252.124 1.00 0.00 C +ATOM 93 CA GLU A 93 229.932 224.612 251.071 1.00 0.00 C +ATOM 94 CA GLY A 94 228.419 226.191 254.191 1.00 0.00 C +ATOM 95 CA THR A 95 224.848 227.517 254.253 1.00 0.00 C +ATOM 96 CA CYS A 96 223.910 231.079 253.279 1.00 0.00 C +ATOM 97 CA ALA A 97 222.339 234.389 254.325 1.00 0.00 C +ATOM 98 CA THR A 98 220.074 234.830 257.357 1.00 0.00 C +ATOM 99 CA GLU A 99 217.804 234.736 260.416 1.00 0.00 C +ATOM 100 CA ASP A 100 217.738 236.838 263.593 1.00 0.00 C +ATOM 101 CA HIS A 101 218.398 234.951 266.836 1.00 0.00 C +ATOM 102 CA SER A 102 220.804 233.981 269.626 1.00 0.00 C +ATOM 103 CA PHE A 103 222.870 233.960 272.827 1.00 0.00 C +ATOM 104 CA MET A 104 224.775 237.084 273.890 1.00 0.00 C +ATOM 105 CA GLU A 105 228.313 236.780 275.269 1.00 0.00 C +ATOM 106 CA ARG A 106 231.131 239.071 274.119 1.00 0.00 C +ATOM 107 CA LYS A 107 234.442 237.778 272.747 1.00 0.00 C +ATOM 108 CA PRO A 108 237.752 235.951 272.273 1.00 0.00 C +ATOM 109 CA GLY A 109 241.247 237.237 273.078 1.00 0.00 C +ATOM 110 CA THR A 110 243.316 235.448 275.730 1.00 0.00 C +ATOM 111 CA GLN A 111 245.753 233.531 277.944 1.00 0.00 C +ATOM 112 CA ASP A 112 248.736 232.127 276.035 1.00 0.00 C +ATOM 113 CA THR A 113 251.125 229.408 277.227 1.00 0.00 C +ATOM 114 CA LEU A 114 252.355 226.118 275.751 1.00 0.00 C +ATOM 115 CA PRO A 115 255.347 227.011 273.568 1.00 0.00 C +ATOM 116 CA GLY A 116 257.012 227.757 270.223 1.00 0.00 C +ATOM 117 CA TRP A 117 256.995 226.991 266.491 1.00 0.00 C +ATOM 118 CA GLU A 118 257.107 229.563 263.682 1.00 0.00 C +ATOM 119 CA LYS A 119 258.452 233.101 264.115 1.00 0.00 C +ATOM 120 CA ALA A 120 256.346 236.226 263.557 1.00 0.00 C +ATOM 121 CA LYS A 121 255.953 238.927 266.215 1.00 0.00 C +ATOM 122 CA ASP A 122 254.180 241.450 268.453 1.00 0.00 C +ATOM 123 CA THR A 123 253.640 240.561 272.118 1.00 0.00 C +ATOM 124 CA MET A 124 255.881 240.960 275.174 1.00 0.00 C +ATOM 125 CA SER A 125 255.852 244.440 276.724 1.00 0.00 C +ATOM 126 CA ASN A 126 256.594 248.014 275.632 1.00 0.00 C +ATOM 127 CA ILE A 127 257.173 250.763 278.205 1.00 0.00 C +ATOM 128 CA PHE A 128 258.693 253.313 280.594 1.00 0.00 C +ATOM 129 CA GLY A 129 256.579 256.003 282.271 1.00 0.00 C +TER 130 GLY A 129 +END diff --git a/Fungi/A0A5N6ZL05/A0A5N6ZL05.dcd b/Fungi/A0A5N6ZL05/A0A5N6ZL05.dcd new file mode 100644 index 0000000000000000000000000000000000000000..ed3096b75393796aed10afbc7c9bba94ea384f48 --- /dev/null +++ b/Fungi/A0A5N6ZL05/A0A5N6ZL05.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:81cb66ab88fce10e6411520e2f90d3b212bb899ff6e2293d2aff3f44957f3af0 +size 9560276 diff --git a/Fungi/A0A5N6ZL05/top.pdb b/Fungi/A0A5N6ZL05/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4bf70f89605d370793f28ac155fd81130182c746 --- /dev/null +++ b/Fungi/A0A5N6ZL05/top.pdb @@ -0,0 +1,77 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 242.126 232.217 246.766 1.00 0.00 C +ATOM 2 CA SER A 2 243.378 234.783 249.288 1.00 0.00 C +ATOM 3 CA GLU A 3 242.614 238.511 249.099 1.00 0.00 C +ATOM 4 CA GLU A 4 240.063 241.280 249.681 1.00 0.00 C +ATOM 5 CA SER A 5 236.481 241.302 250.977 1.00 0.00 C +ATOM 6 CA HIS A 6 234.951 244.630 252.025 1.00 0.00 C +ATOM 7 CA PRO A 7 231.812 245.521 250.058 1.00 0.00 C +ATOM 8 CA GLN A 8 228.894 244.783 247.721 1.00 0.00 C +ATOM 9 CA GLN A 9 228.971 242.567 244.624 1.00 0.00 C +ATOM 10 CA HIS A 10 232.237 240.627 244.324 1.00 0.00 C +ATOM 11 CA HIS A 11 234.576 240.695 241.318 1.00 0.00 C +ATOM 12 CA HIS A 12 237.416 242.208 239.277 1.00 0.00 C +ATOM 13 CA HIS A 13 240.125 243.158 241.782 1.00 0.00 C +ATOM 14 CA GLU A 14 240.944 246.857 241.371 1.00 0.00 C +ATOM 15 CA SER A 15 244.098 247.061 239.244 1.00 0.00 C +ATOM 16 CA PHE A 16 245.539 244.169 237.224 1.00 0.00 C +ATOM 17 CA PHE A 17 248.024 243.763 234.365 1.00 0.00 C +ATOM 18 CA ASP A 18 250.585 241.378 232.858 1.00 0.00 C +ATOM 19 CA ARG A 19 253.813 242.244 231.028 1.00 0.00 C +ATOM 20 CA ILE A 20 253.825 245.397 228.890 1.00 0.00 C +ATOM 21 CA LEU A 21 256.068 248.443 229.347 1.00 0.00 C +ATOM 22 CA HIS A 22 255.888 249.673 232.948 1.00 0.00 C +ATOM 23 CA PRO A 23 257.854 252.289 234.899 1.00 0.00 C +ATOM 24 CA GLY A 24 256.760 255.335 236.909 1.00 0.00 C +ATOM 25 CA ARG A 25 253.029 256.084 237.092 1.00 0.00 C +ATOM 26 CA HIS A 26 249.765 256.156 239.057 1.00 0.00 C +ATOM 27 CA GLU A 27 247.059 258.390 237.573 1.00 0.00 C +ATOM 28 CA ASP A 28 243.538 258.484 236.120 1.00 0.00 C +ATOM 29 CA GLN A 29 240.740 260.604 237.602 1.00 0.00 C +ATOM 30 CA GLU A 30 239.589 263.870 239.191 1.00 0.00 C +ATOM 31 CA GLN A 31 239.949 266.109 242.252 1.00 0.00 C +ATOM 32 CA HIS A 32 236.834 268.268 242.635 1.00 0.00 C +ATOM 33 CA GLN A 33 233.107 267.573 243.015 1.00 0.00 C +ATOM 34 CA ASP A 34 232.960 263.946 244.172 1.00 0.00 C +ATOM 35 CA GLN A 35 231.336 263.373 247.570 1.00 0.00 C +ATOM 36 CA HIS A 36 229.239 261.407 250.071 1.00 0.00 C +ATOM 37 CA GLU A 37 229.137 258.332 252.318 1.00 0.00 C +ATOM 38 CA SER A 38 231.363 255.262 251.953 1.00 0.00 C +ATOM 39 CA GLN A 39 235.039 254.743 252.812 1.00 0.00 C +ATOM 40 CA ASP A 40 238.460 253.067 252.877 1.00 0.00 C +ATOM 41 CA HIS A 41 241.373 255.523 252.930 1.00 0.00 C +ATOM 42 CA GLU A 42 244.761 253.961 252.156 1.00 0.00 C +ATOM 43 CA SER A 43 246.181 251.098 254.229 1.00 0.00 C +ATOM 44 CA PRO A 44 247.761 247.740 253.364 1.00 0.00 C +ATOM 45 CA LYS A 45 251.002 246.789 255.127 1.00 0.00 C +ATOM 46 CA LYS A 46 250.282 245.800 258.735 1.00 0.00 C +ATOM 47 CA GLU A 47 247.512 243.595 260.143 1.00 0.00 C +ATOM 48 CA SER A 48 246.714 240.362 258.292 1.00 0.00 C +ATOM 49 CA GLU A 49 244.932 238.782 255.318 1.00 0.00 C +ATOM 50 CA PHE A 50 247.055 235.901 254.011 1.00 0.00 C +ATOM 51 CA ASP A 51 249.104 233.097 252.445 1.00 0.00 C +ATOM 52 CA LYS A 52 251.998 232.972 249.970 1.00 0.00 C +ATOM 53 CA ILE A 53 255.278 233.486 251.839 1.00 0.00 C +ATOM 54 CA LYS A 54 258.499 232.661 253.700 1.00 0.00 C +ATOM 55 CA ASP A 55 261.157 235.354 253.257 1.00 0.00 C +ATOM 56 CA ASP A 56 264.041 237.742 253.963 1.00 0.00 C +ATOM 57 CA ILE A 57 264.319 240.113 256.932 1.00 0.00 C +ATOM 58 CA LYS A 58 266.440 243.043 258.131 1.00 0.00 C +ATOM 59 CA GLU A 59 266.155 244.903 261.443 1.00 0.00 C +ATOM 60 CA ASP A 60 269.240 247.123 261.707 1.00 0.00 C +ATOM 61 CA GLN A 61 271.306 249.926 263.254 1.00 0.00 C +ATOM 62 CA GLU A 62 271.037 251.883 266.512 1.00 0.00 C +ATOM 63 CA GLU A 63 274.033 253.474 268.247 1.00 0.00 C +ATOM 64 CA VAL A 64 277.498 254.784 267.357 1.00 0.00 C +ATOM 65 CA ALA A 65 277.945 257.229 264.470 1.00 0.00 C +ATOM 66 CA GLU A 66 277.498 260.865 263.423 1.00 0.00 C +ATOM 67 CA GLY A 67 275.720 263.192 265.861 1.00 0.00 C +ATOM 68 CA ASP A 68 272.315 262.310 267.326 1.00 0.00 C +ATOM 69 CA THR A 69 268.617 263.007 266.735 1.00 0.00 C +ATOM 70 CA TYR A 70 268.391 265.063 263.535 1.00 0.00 C +ATOM 71 CA ALA A 71 266.341 268.274 263.568 1.00 0.00 C +ATOM 72 CA GLY A 72 264.846 271.777 263.674 1.00 0.00 C +ATOM 73 CA LEU A 73 262.462 273.611 266.013 1.00 0.00 C +TER 74 LEU A 73 +END diff --git a/Fungi/A0A5N7A5L6/A0A5N7A5L6.dcd b/Fungi/A0A5N7A5L6/A0A5N7A5L6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..1f70ceff3912c1cc5887cb3910c158d7c08089b4 --- /dev/null +++ b/Fungi/A0A5N7A5L6/A0A5N7A5L6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e60bb16a5cb749ff3e7ca5a122adaabfd79db6e08241e22e828d116b7ceaa9f1 +size 12080276 diff --git a/Fungi/A0A5N7A5L6/top.pdb b/Fungi/A0A5N7A5L6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1f13de19a33b09d84c8cb7cc12576626886c0e2f --- /dev/null +++ b/Fungi/A0A5N7A5L6/top.pdb @@ -0,0 +1,98 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 274.184 231.078 242.707 1.00 0.00 C +ATOM 2 CA ALA A 2 271.646 228.686 241.173 1.00 0.00 C +ATOM 3 CA SER A 3 268.317 227.339 242.447 1.00 0.00 C +ATOM 4 CA ALA A 4 265.237 226.153 240.544 1.00 0.00 C +ATOM 5 CA SER A 5 262.092 228.300 240.670 1.00 0.00 C +ATOM 6 CA SER A 6 258.549 229.142 241.792 1.00 0.00 C +ATOM 7 CA ALA A 7 257.921 227.396 245.120 1.00 0.00 C +ATOM 8 CA GLY A 8 259.630 228.506 248.339 1.00 0.00 C +ATOM 9 CA GLY A 9 261.817 226.729 250.903 1.00 0.00 C +ATOM 10 CA MET A 10 264.859 224.479 250.456 1.00 0.00 C +ATOM 11 CA ARG A 11 267.658 226.789 249.296 1.00 0.00 C +ATOM 12 CA ARG A 12 266.929 230.528 249.195 1.00 0.00 C +ATOM 13 CA ARG A 13 269.481 233.078 250.421 1.00 0.00 C +ATOM 14 CA ARG A 14 272.168 231.442 252.570 1.00 0.00 C +ATOM 15 CA GLY A 15 272.405 229.505 255.843 1.00 0.00 C +ATOM 16 CA ARG A 16 272.677 230.114 259.594 1.00 0.00 C +ATOM 17 CA ARG A 17 274.745 233.064 260.832 1.00 0.00 C +ATOM 18 CA ILE A 18 277.517 234.832 258.905 1.00 0.00 C +ATOM 19 CA VAL A 19 278.631 238.440 258.396 1.00 0.00 C +ATOM 20 CA VAL A 20 280.011 241.991 258.373 1.00 0.00 C +ATOM 21 CA GLU A 21 283.686 242.822 258.939 1.00 0.00 C +ATOM 22 CA GLU A 22 286.450 240.370 259.870 1.00 0.00 C +ATOM 23 CA GLU A 23 289.625 240.840 257.816 1.00 0.00 C +ATOM 24 CA ARG A 24 292.000 243.531 256.537 1.00 0.00 C +ATOM 25 CA PRO A 25 295.148 243.929 258.646 1.00 0.00 C +ATOM 26 CA ALA A 26 296.807 242.523 261.774 1.00 0.00 C +ATOM 27 CA SER A 27 296.416 240.606 265.043 1.00 0.00 C +ATOM 28 CA ALA A 28 293.805 241.973 267.457 1.00 0.00 C +ATOM 29 CA HIS A 29 290.906 244.193 266.367 1.00 0.00 C +ATOM 30 CA SER A 30 287.586 245.681 267.497 1.00 0.00 C +ATOM 31 CA HIS A 31 285.731 248.892 266.621 1.00 0.00 C +ATOM 32 CA GLY A 32 285.856 252.390 265.117 1.00 0.00 C +ATOM 33 CA HIS A 33 284.394 253.942 261.960 1.00 0.00 C +ATOM 34 CA GLY A 34 282.115 251.704 259.883 1.00 0.00 C +ATOM 35 CA ASP A 35 280.470 249.178 262.212 1.00 0.00 C +ATOM 36 CA HIS A 36 276.751 249.959 262.489 1.00 0.00 C +ATOM 37 CA ILE A 37 275.628 251.070 259.022 1.00 0.00 C +ATOM 38 CA ILE A 38 274.270 250.389 255.527 1.00 0.00 C +ATOM 39 CA VAL A 39 272.933 253.545 253.863 1.00 0.00 C +ATOM 40 CA GLU A 40 270.164 255.346 255.762 1.00 0.00 C +ATOM 41 CA GLU A 41 267.595 256.301 258.408 1.00 0.00 C +ATOM 42 CA SER A 42 264.325 258.121 259.120 1.00 0.00 C +ATOM 43 CA VAL A 43 264.564 261.341 257.098 1.00 0.00 C +ATOM 44 CA THR A 44 264.557 264.932 258.372 1.00 0.00 C +ATOM 45 CA SER A 45 263.278 265.742 261.868 1.00 0.00 C +ATOM 46 CA ALA A 46 261.991 263.124 264.319 1.00 0.00 C +ATOM 47 CA PRO A 47 258.612 261.661 263.340 1.00 0.00 C +ATOM 48 CA SER A 48 255.804 259.638 264.933 1.00 0.00 C +ATOM 49 CA ARG A 49 254.111 256.225 264.928 1.00 0.00 C +ATOM 50 CA SER A 50 251.490 253.613 265.837 1.00 0.00 C +ATOM 51 CA GLU A 51 249.710 252.018 268.804 1.00 0.00 C +ATOM 52 CA GLY A 52 247.864 249.202 270.586 1.00 0.00 C +ATOM 53 CA ASP A 53 246.093 250.733 273.591 1.00 0.00 C +ATOM 54 CA VAL A 54 244.795 254.149 272.514 1.00 0.00 C +ATOM 55 CA ILE A 55 243.482 256.714 270.021 1.00 0.00 C +ATOM 56 CA GLU A 56 242.846 255.150 266.605 1.00 0.00 C +ATOM 57 CA VAL A 57 241.850 251.798 265.093 1.00 0.00 C +ATOM 58 CA PHE A 58 238.492 250.009 265.280 1.00 0.00 C +ATOM 59 CA GLU A 59 234.799 249.164 265.684 1.00 0.00 C +ATOM 60 CA GLU A 60 232.711 248.806 262.517 1.00 0.00 C +ATOM 61 CA ALA A 61 229.181 247.400 262.790 1.00 0.00 C +ATOM 62 CA SER A 62 226.074 247.003 260.621 1.00 0.00 C +ATOM 63 CA SER A 63 226.280 248.823 257.279 1.00 0.00 C +ATOM 64 CA VAL A 64 223.983 250.200 254.570 1.00 0.00 C +ATOM 65 CA ASP A 65 225.030 253.565 253.122 1.00 0.00 C +ATOM 66 CA ARG A 66 222.876 255.959 251.087 1.00 0.00 C +ATOM 67 CA PRO A 67 223.149 256.590 247.339 1.00 0.00 C +ATOM 68 CA PRO A 68 220.591 258.728 245.495 1.00 0.00 C +ATOM 69 CA ARG A 69 221.844 262.297 245.034 1.00 0.00 C +ATOM 70 CA ARG A 70 220.484 265.851 244.838 1.00 0.00 C +ATOM 71 CA GLY A 71 217.598 266.256 242.385 1.00 0.00 C +ATOM 72 CA LYS A 72 214.579 266.732 240.110 1.00 0.00 C +ATOM 73 CA HIS A 73 211.957 264.223 238.948 1.00 0.00 C +ATOM 74 CA ASN A 74 211.390 260.543 238.140 1.00 0.00 C +ATOM 75 CA GLY A 75 213.284 258.807 235.327 1.00 0.00 C +ATOM 76 CA GLY A 76 216.598 256.984 234.868 1.00 0.00 C +ATOM 77 CA GLY A 77 220.182 255.736 234.529 1.00 0.00 C +ATOM 78 CA SER A 78 221.663 253.683 231.682 1.00 0.00 C +ATOM 79 CA GLY A 79 224.300 253.713 228.931 1.00 0.00 C +ATOM 80 CA TRP A 80 226.449 256.859 228.930 1.00 0.00 C +ATOM 81 CA ARG A 81 225.794 260.508 229.809 1.00 0.00 C +ATOM 82 CA ARG A 82 222.886 262.969 229.783 1.00 0.00 C +ATOM 83 CA GLY A 83 219.765 262.932 227.597 1.00 0.00 C +ATOM 84 CA ASP A 84 218.359 259.507 226.700 1.00 0.00 C +ATOM 85 CA LEU A 85 215.512 258.116 224.585 1.00 0.00 C +ATOM 86 CA GLU A 86 212.718 260.707 224.545 1.00 0.00 C +ATOM 87 CA GLY A 87 210.247 262.889 222.635 1.00 0.00 C +ATOM 88 CA SER A 88 206.643 261.683 222.909 1.00 0.00 C +ATOM 89 CA GLU A 89 204.573 263.002 219.995 1.00 0.00 C +ATOM 90 CA PHE A 90 202.665 264.277 216.954 1.00 0.00 C +ATOM 91 CA SER A 91 204.744 265.832 214.166 1.00 0.00 C +ATOM 92 CA SER A 92 207.932 267.886 214.530 1.00 0.00 C +ATOM 93 CA ARG A 93 210.479 270.708 214.779 1.00 0.00 C +ATOM 94 CA ILE A 94 214.005 270.116 216.094 1.00 0.00 C +TER 95 ILE A 94 +END diff --git a/Fungi/A0A642UGP3/A0A642UGP3.dcd b/Fungi/A0A642UGP3/A0A642UGP3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..63b37ff9ab1c45c8a7cf367ba0cd3caf70cd5225 --- /dev/null +++ b/Fungi/A0A642UGP3/A0A642UGP3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4d1d44beaf2942ce2b0c9cc6e250729a386cb34b3258c80d45758c253184cd4e +size 21320276 diff --git a/Fungi/A0A642UGP3/top.pdb b/Fungi/A0A642UGP3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..534946b8ccd0758f7e000a479cc12d8230f0a76a --- /dev/null +++ b/Fungi/A0A642UGP3/top.pdb @@ -0,0 +1,175 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 235.791 291.353 217.995 1.00 0.00 C +ATOM 2 CA PRO A 2 236.743 293.936 220.629 1.00 0.00 C +ATOM 3 CA PRO A 3 239.963 293.476 222.613 1.00 0.00 C +ATOM 4 CA SER A 4 242.595 291.343 220.871 1.00 0.00 C +ATOM 5 CA ARG A 5 242.902 289.563 217.516 1.00 0.00 C +ATOM 6 CA PRO A 6 245.186 286.513 217.552 1.00 0.00 C +ATOM 7 CA TYR A 7 247.892 284.787 219.604 1.00 0.00 C +ATOM 8 CA LYS A 8 250.388 287.377 220.859 1.00 0.00 C +ATOM 9 CA ARG A 9 254.047 287.049 221.870 1.00 0.00 C +ATOM 10 CA LEU A 10 255.025 285.770 225.323 1.00 0.00 C +ATOM 11 CA VAL A 11 256.128 282.324 226.516 1.00 0.00 C +ATOM 12 CA GLY A 12 253.887 279.243 226.538 1.00 0.00 C +ATOM 13 CA LYS A 13 253.681 277.342 229.834 1.00 0.00 C +ATOM 14 CA GLU A 14 253.039 273.993 231.533 1.00 0.00 C +ATOM 15 CA ALA A 15 254.812 273.022 234.763 1.00 0.00 C +ATOM 16 CA LYS A 16 257.387 272.927 237.569 1.00 0.00 C +ATOM 17 CA THR A 17 258.542 272.188 241.124 1.00 0.00 C +ATOM 18 CA HIS A 18 260.950 270.306 243.398 1.00 0.00 C +ATOM 19 CA GLU A 19 261.672 266.607 243.960 1.00 0.00 C +ATOM 20 CA ILE A 20 265.327 266.494 245.032 1.00 0.00 C +ATOM 21 CA LYS A 21 268.322 265.785 242.787 1.00 0.00 C +ATOM 22 CA LYS A 22 271.041 263.116 242.852 1.00 0.00 C +ATOM 23 CA ALA A 23 269.359 259.915 244.052 1.00 0.00 C +ATOM 24 CA LEU A 24 267.960 258.329 240.882 1.00 0.00 C +ATOM 25 CA THR A 25 265.292 259.525 238.440 1.00 0.00 C +ATOM 26 CA HIS A 26 261.629 260.268 239.181 1.00 0.00 C +ATOM 27 CA ARG A 27 258.808 257.726 238.878 1.00 0.00 C +ATOM 28 CA ALA A 28 255.880 256.439 240.948 1.00 0.00 C +ATOM 29 CA ARG A 29 253.105 254.409 239.307 1.00 0.00 C +ATOM 30 CA ILE A 30 250.762 252.555 236.943 1.00 0.00 C +ATOM 31 CA ARG A 31 248.881 251.601 233.770 1.00 0.00 C +ATOM 32 CA LYS A 32 245.297 252.252 232.652 1.00 0.00 C +ATOM 33 CA ASN A 33 242.991 255.240 232.137 1.00 0.00 C +ATOM 34 CA TYR A 34 244.304 258.001 234.412 1.00 0.00 C +ATOM 35 CA PHE A 35 247.723 258.355 236.057 1.00 0.00 C +ATOM 36 CA LYS A 36 249.241 260.629 238.710 1.00 0.00 C +ATOM 37 CA LEU A 37 252.902 261.488 239.326 1.00 0.00 C +ATOM 38 CA LEU A 38 253.350 262.068 243.064 1.00 0.00 C +ATOM 39 CA GLU A 39 255.232 264.017 245.743 1.00 0.00 C +ATOM 40 CA LYS A 40 254.186 267.432 247.070 1.00 0.00 C +ATOM 41 CA GLU A 41 251.831 268.865 244.439 1.00 0.00 C +ATOM 42 CA GLY A 42 250.525 270.424 241.217 1.00 0.00 C +ATOM 43 CA TYR A 43 248.003 273.098 240.216 1.00 0.00 C +ATOM 44 CA GLN A 44 244.453 272.099 239.260 1.00 0.00 C +ATOM 45 CA PRO A 45 242.695 273.218 236.071 1.00 0.00 C +ATOM 46 CA PRO A 46 239.532 271.202 235.399 1.00 0.00 C +ATOM 47 CA GLU A 47 236.118 272.689 236.203 1.00 0.00 C +ATOM 48 CA LYS A 48 233.884 270.905 238.722 1.00 0.00 C +ATOM 49 CA PRO A 49 231.315 269.697 241.263 1.00 0.00 C +ATOM 50 CA LYS A 50 228.270 267.782 242.518 1.00 0.00 C +ATOM 51 CA SER A 51 224.549 268.496 242.116 1.00 0.00 C +ATOM 52 CA ARG A 52 224.046 269.723 238.544 1.00 0.00 C +ATOM 53 CA HIS A 53 221.080 270.529 236.293 1.00 0.00 C +ATOM 54 CA GLU A 54 221.689 272.767 233.270 1.00 0.00 C +ATOM 55 CA ALA A 55 218.486 273.607 231.385 1.00 0.00 C +ATOM 56 CA ASP A 56 214.764 272.807 231.236 1.00 0.00 C +ATOM 57 CA GLU A 57 211.016 273.337 231.670 1.00 0.00 C +ATOM 58 CA ALA A 58 208.384 271.192 229.940 1.00 0.00 C +ATOM 59 CA LYS A 59 205.628 269.554 231.998 1.00 0.00 C +ATOM 60 CA ASP A 60 203.299 266.611 231.339 1.00 0.00 C +ATOM 61 CA GLU A 61 202.133 264.108 233.963 1.00 0.00 C +ATOM 62 CA ALA A 62 204.404 262.883 236.766 1.00 0.00 C +ATOM 63 CA LYS A 63 203.519 259.499 238.278 1.00 0.00 C +ATOM 64 CA GLU A 64 201.366 257.481 240.688 1.00 0.00 C +ATOM 65 CA GLU A 65 200.464 253.781 240.593 1.00 0.00 C +ATOM 66 CA ALA A 66 198.922 250.356 239.955 1.00 0.00 C +ATOM 67 CA ASP A 67 198.382 247.843 237.143 1.00 0.00 C +ATOM 68 CA LYS A 68 197.825 244.332 238.513 1.00 0.00 C +ATOM 69 CA ALA A 69 198.467 240.700 237.558 1.00 0.00 C +ATOM 70 CA ASN A 70 198.310 237.459 235.560 1.00 0.00 C +ATOM 71 CA GLU A 71 199.255 234.701 238.012 1.00 0.00 C +ATOM 72 CA ASP A 72 196.533 233.171 240.196 1.00 0.00 C +ATOM 73 CA ALA A 73 198.261 231.929 243.356 1.00 0.00 C +ATOM 74 CA SER A 74 199.336 235.094 245.183 1.00 0.00 C +ATOM 75 CA ASP A 75 201.216 238.405 245.332 1.00 0.00 C +ATOM 76 CA SER A 76 200.364 242.118 245.260 1.00 0.00 C +ATOM 77 CA GLN A 77 198.516 244.636 247.442 1.00 0.00 C +ATOM 78 CA GLU A 78 199.774 248.223 247.704 1.00 0.00 C +ATOM 79 CA ASP A 79 200.001 251.817 248.947 1.00 0.00 C +ATOM 80 CA ALA A 80 202.361 252.924 251.726 1.00 0.00 C +ATOM 81 CA ALA A 81 205.608 254.664 252.699 1.00 0.00 C +ATOM 82 CA THR A 82 209.352 254.416 252.039 1.00 0.00 C +ATOM 83 CA ASP A 83 210.887 254.805 248.574 1.00 0.00 C +ATOM 84 CA LYS A 84 211.246 254.192 244.831 1.00 0.00 C +ATOM 85 CA ARG A 85 211.288 250.727 243.246 1.00 0.00 C +ATOM 86 CA GLN A 86 212.897 247.275 243.161 1.00 0.00 C +ATOM 87 CA SER A 87 211.529 245.079 245.958 1.00 0.00 C +ATOM 88 CA GLU A 88 212.731 242.751 248.724 1.00 0.00 C +ATOM 89 CA SER A 89 216.086 240.984 249.094 1.00 0.00 C +ATOM 90 CA SER A 90 219.395 239.956 247.510 1.00 0.00 C +ATOM 91 CA LYS A 91 220.765 240.034 243.955 1.00 0.00 C +ATOM 92 CA PRO A 92 223.722 237.632 243.949 1.00 0.00 C +ATOM 93 CA LYS A 93 227.169 238.619 242.660 1.00 0.00 C +ATOM 94 CA GLU A 94 230.175 240.590 241.398 1.00 0.00 C +ATOM 95 CA ALA A 95 230.572 241.919 237.849 1.00 0.00 C +ATOM 96 CA PRO A 96 230.106 244.865 235.478 1.00 0.00 C +ATOM 97 CA LYS A 97 229.170 248.321 234.176 1.00 0.00 C +ATOM 98 CA PRO A 98 232.254 250.416 233.395 1.00 0.00 C +ATOM 99 CA MET A 99 235.718 249.288 234.513 1.00 0.00 C +ATOM 100 CA THR A 100 238.047 251.315 236.745 1.00 0.00 C +ATOM 101 CA TYR A 101 239.505 254.599 238.013 1.00 0.00 C +ATOM 102 CA ASN A 102 238.945 258.357 238.294 1.00 0.00 C +ATOM 103 CA ASP A 103 239.314 259.208 241.989 1.00 0.00 C +ATOM 104 CA ARG A 104 238.041 262.774 242.418 1.00 0.00 C +ATOM 105 CA ARG A 105 236.981 265.751 244.546 1.00 0.00 C +ATOM 106 CA GLU A 106 238.309 269.307 244.222 1.00 0.00 C +ATOM 107 CA LEU A 107 241.812 269.395 245.719 1.00 0.00 C +ATOM 108 CA ILE A 108 243.749 266.607 247.449 1.00 0.00 C +ATOM 109 CA LYS A 109 246.554 264.769 249.257 1.00 0.00 C +ATOM 110 CA GLN A 110 247.741 261.310 248.186 1.00 0.00 C +ATOM 111 CA ARG A 111 250.109 258.601 246.936 1.00 0.00 C +ATOM 112 CA LYS A 112 252.268 255.669 248.058 1.00 0.00 C +ATOM 113 CA ASN A 113 253.168 252.188 249.319 1.00 0.00 C +ATOM 114 CA GLU A 114 255.719 250.073 251.200 1.00 0.00 C +ATOM 115 CA LYS A 115 258.499 247.471 251.315 1.00 0.00 C +ATOM 116 CA ARG A 116 260.288 244.968 253.563 1.00 0.00 C +ATOM 117 CA LEU A 117 262.892 246.332 255.987 1.00 0.00 C +ATOM 118 CA ARG A 118 264.082 244.542 259.133 1.00 0.00 C +ATOM 119 CA GLN A 119 265.141 245.414 262.687 1.00 0.00 C +ATOM 120 CA LEU A 120 268.803 246.451 262.525 1.00 0.00 C +ATOM 121 CA GLU A 121 269.543 248.817 265.419 1.00 0.00 C +ATOM 122 CA ARG A 122 269.665 250.169 268.979 1.00 0.00 C +ATOM 123 CA VAL A 123 273.387 250.372 269.764 1.00 0.00 C +ATOM 124 CA ARG A 124 275.785 252.758 268.011 1.00 0.00 C +ATOM 125 CA GLU A 125 279.288 252.010 266.712 1.00 0.00 C +ATOM 126 CA GLN A 126 280.426 254.754 264.326 1.00 0.00 C +ATOM 127 CA LYS A 127 278.723 257.975 263.213 1.00 0.00 C +ATOM 128 CA GLN A 128 281.020 260.889 262.347 1.00 0.00 C +ATOM 129 CA ALA A 129 284.733 260.137 261.945 1.00 0.00 C +ATOM 130 CA LEU A 130 288.116 261.875 262.174 1.00 0.00 C +ATOM 131 CA GLU A 131 291.789 261.035 262.741 1.00 0.00 C +ATOM 132 CA SER A 132 295.485 260.308 262.168 1.00 0.00 C +ATOM 133 CA GLN A 133 296.346 256.887 263.608 1.00 0.00 C +ATOM 134 CA GLU A 134 297.170 253.726 261.649 1.00 0.00 C +ATOM 135 CA LYS A 135 300.371 251.688 261.989 1.00 0.00 C +ATOM 136 CA LEU A 136 302.389 248.577 261.111 1.00 0.00 C +ATOM 137 CA ARG A 137 299.885 246.128 259.611 1.00 0.00 C +ATOM 138 CA GLN A 138 296.604 244.239 259.183 1.00 0.00 C +ATOM 139 CA ARG A 139 293.907 243.536 261.781 1.00 0.00 C +ATOM 140 CA HIS A 140 295.481 241.125 264.275 1.00 0.00 C +ATOM 141 CA ARG A 141 296.356 239.208 267.449 1.00 0.00 C +ATOM 142 CA ALA A 142 299.256 237.835 269.504 1.00 0.00 C +ATOM 143 CA ARG A 143 300.662 235.105 271.760 1.00 0.00 C +ATOM 144 CA ILE A 144 300.818 231.392 272.601 1.00 0.00 C +ATOM 145 CA ASP A 145 300.741 228.368 274.917 1.00 0.00 C +ATOM 146 CA LYS A 146 300.220 224.594 274.937 1.00 0.00 C +ATOM 147 CA ARG A 147 299.395 221.428 276.890 1.00 0.00 C +ATOM 148 CA THR A 148 295.889 221.047 278.330 1.00 0.00 C +ATOM 149 CA ARG A 149 294.023 222.002 281.512 1.00 0.00 C +ATOM 150 CA LYS A 150 291.602 221.447 284.401 1.00 0.00 C +ATOM 151 CA GLY A 151 290.394 217.902 285.102 1.00 0.00 C +ATOM 152 CA GLN A 152 287.249 216.307 283.659 1.00 0.00 C +ATOM 153 CA PRO A 153 284.388 217.964 281.765 1.00 0.00 C +ATOM 154 CA MET A 154 280.823 217.128 282.817 1.00 0.00 C +ATOM 155 CA MET A 155 279.713 213.846 281.234 1.00 0.00 C +ATOM 156 CA GLY A 156 282.254 211.282 282.455 1.00 0.00 C +ATOM 157 CA PRO A 157 282.534 208.377 284.904 1.00 0.00 C +ATOM 158 CA ARG A 158 281.704 205.064 283.215 1.00 0.00 C +ATOM 159 CA ILE A 159 279.634 203.926 280.225 1.00 0.00 C +ATOM 160 CA ASN A 160 276.375 201.957 280.089 1.00 0.00 C +ATOM 161 CA ASN A 161 274.907 198.765 278.615 1.00 0.00 C +ATOM 162 CA LEU A 162 275.185 194.975 278.885 1.00 0.00 C +ATOM 163 CA LEU A 163 278.506 193.294 279.697 1.00 0.00 C +ATOM 164 CA ASP A 164 280.068 194.333 283.013 1.00 0.00 C +ATOM 165 CA LYS A 165 277.643 193.461 285.819 1.00 0.00 C +ATOM 166 CA ILE A 166 277.180 193.444 289.601 1.00 0.00 C +ATOM 167 CA LYS A 167 279.697 190.881 290.870 1.00 0.00 C +ATOM 168 CA LYS A 168 279.940 187.442 289.248 1.00 0.00 C +ATOM 169 CA GLU A 169 281.218 183.854 289.130 1.00 0.00 C +ATOM 170 CA THR A 170 283.286 180.774 288.264 1.00 0.00 C +ATOM 171 CA LYS A 171 286.396 179.130 289.728 1.00 0.00 C +TER 172 LYS A 171 +END diff --git a/Fungi/A0A642V1V0/A0A642V1V0.dcd b/Fungi/A0A642V1V0/A0A642V1V0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..6446f536a830f8a778bac3920192f0da1611efd7 --- /dev/null +++ b/Fungi/A0A642V1V0/A0A642V1V0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7a0b8a34aa3566d0fb80178c8266ace5038947e0da289845bdfb992e56b55820 +size 12800276 diff --git a/Fungi/A0A642V1V0/top.pdb b/Fungi/A0A642V1V0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..29f58c6ac43dd6495dcc35204677284055d3670a --- /dev/null +++ b/Fungi/A0A642V1V0/top.pdb @@ -0,0 +1,104 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA PRO A 1 287.565 269.742 199.154 1.00 0.00 C +ATOM 2 CA PRO A 2 287.254 269.022 202.882 1.00 0.00 C +ATOM 3 CA PRO A 3 283.987 270.684 203.921 1.00 0.00 C +ATOM 4 CA PRO A 4 280.902 272.887 203.540 1.00 0.00 C +ATOM 5 CA PRO A 5 277.321 272.263 204.683 1.00 0.00 C +ATOM 6 CA PRO A 6 276.921 269.574 207.352 1.00 0.00 C +ATOM 7 CA PRO A 7 275.342 266.212 206.506 1.00 0.00 C +ATOM 8 CA GLN A 8 273.908 264.918 209.790 1.00 0.00 C +ATOM 9 CA ARG A 9 271.911 265.008 213.034 1.00 0.00 C +ATOM 10 CA PRO A 10 270.012 261.707 213.131 1.00 0.00 C +ATOM 11 CA VAL A 11 271.948 258.539 212.276 1.00 0.00 C +ATOM 12 CA PRO A 12 269.389 255.747 211.863 1.00 0.00 C +ATOM 13 CA PRO A 13 267.396 253.529 214.235 1.00 0.00 C +ATOM 14 CA PRO A 14 266.471 251.764 217.482 1.00 0.00 C +ATOM 15 CA PRO A 15 262.820 250.751 217.081 1.00 0.00 C +ATOM 16 CA PRO A 16 260.770 248.500 219.372 1.00 0.00 C +ATOM 17 CA PRO A 17 260.597 249.287 223.096 1.00 0.00 C +ATOM 18 CA PRO A 18 257.270 248.079 224.505 1.00 0.00 C +ATOM 19 CA PRO A 19 256.507 244.686 226.059 1.00 0.00 C +ATOM 20 CA PRO A 20 256.648 240.958 225.285 1.00 0.00 C +ATOM 21 CA PRO A 21 258.184 237.643 226.367 1.00 0.00 C +ATOM 22 CA GLN A 22 256.915 236.983 229.898 1.00 0.00 C +ATOM 23 CA LYS A 23 254.349 235.058 231.954 1.00 0.00 C +ATOM 24 CA PRO A 24 251.998 234.145 234.810 1.00 0.00 C +ATOM 25 CA THR A 25 252.257 235.523 238.352 1.00 0.00 C +ATOM 26 CA PRO A 26 254.726 234.106 240.884 1.00 0.00 C +ATOM 27 CA PRO A 27 256.305 230.643 241.076 1.00 0.00 C +ATOM 28 CA PRO A 28 259.544 231.002 239.102 1.00 0.00 C +ATOM 29 CA PRO A 29 261.842 233.108 241.293 1.00 0.00 C +ATOM 30 CA PRO A 30 263.777 236.225 240.263 1.00 0.00 C +ATOM 31 CA PRO A 31 262.802 238.279 237.206 1.00 0.00 C +ATOM 32 CA THR A 32 260.571 241.271 236.439 1.00 0.00 C +ATOM 33 CA PRO A 33 258.917 244.471 237.680 1.00 0.00 C +ATOM 34 CA GLN A 34 258.713 245.596 241.314 1.00 0.00 C +ATOM 35 CA PRO A 35 260.146 247.133 244.493 1.00 0.00 C +ATOM 36 CA VAL A 36 263.175 249.373 245.062 1.00 0.00 C +ATOM 37 CA PRO A 37 265.508 247.297 247.245 1.00 0.00 C +ATOM 38 CA ASP A 38 268.496 246.788 249.552 1.00 0.00 C +ATOM 39 CA ASN A 39 268.419 244.875 252.846 1.00 0.00 C +ATOM 40 CA CYS A 40 269.701 241.604 254.320 1.00 0.00 C +ATOM 41 CA ARG A 41 272.422 239.299 252.979 1.00 0.00 C +ATOM 42 CA ASP A 42 274.655 236.909 254.934 1.00 0.00 C +ATOM 43 CA THR A 43 273.253 236.130 258.390 1.00 0.00 C +ATOM 44 CA GLU A 44 270.542 236.690 261.009 1.00 0.00 C +ATOM 45 CA ASP A 45 271.091 240.028 262.761 1.00 0.00 C +ATOM 46 CA ASP A 46 270.804 243.822 262.574 1.00 0.00 C +ATOM 47 CA TRP A 47 267.607 245.352 263.972 1.00 0.00 C +ATOM 48 CA GLN A 48 264.168 246.991 263.902 1.00 0.00 C +ATOM 49 CA ASP A 49 261.615 244.300 263.031 1.00 0.00 C +ATOM 50 CA ASP A 50 258.082 245.610 263.596 1.00 0.00 C +ATOM 51 CA SER A 51 255.123 245.895 261.213 1.00 0.00 C +ATOM 52 CA TRP A 52 251.467 244.926 261.671 1.00 0.00 C +ATOM 53 CA GLU A 53 248.284 243.277 260.382 1.00 0.00 C +ATOM 54 CA ASP A 54 245.444 243.063 257.850 1.00 0.00 C +ATOM 55 CA ASP A 55 242.947 240.198 257.584 1.00 0.00 C +ATOM 56 CA GLY A 56 243.422 237.458 260.188 1.00 0.00 C +ATOM 57 CA SER A 57 246.557 235.295 260.263 1.00 0.00 C +ATOM 58 CA CYS A 58 248.955 234.587 263.138 1.00 0.00 C +ATOM 59 CA ASP A 59 249.907 235.800 266.622 1.00 0.00 C +ATOM 60 CA GLY A 60 250.998 233.081 269.058 1.00 0.00 C +ATOM 61 CA THR A 61 249.933 229.624 267.861 1.00 0.00 C +ATOM 62 CA ASP A 62 248.038 227.726 270.567 1.00 0.00 C +ATOM 63 CA ASP A 63 244.789 229.525 271.416 1.00 0.00 C +ATOM 64 CA GLY A 64 244.282 232.246 274.035 1.00 0.00 C +ATOM 65 CA SER A 65 241.642 233.082 276.651 1.00 0.00 C +ATOM 66 CA TYR A 66 238.805 235.336 277.831 1.00 0.00 C +ATOM 67 CA ASP A 67 236.460 238.337 277.937 1.00 0.00 C +ATOM 68 CA ASP A 68 237.089 241.806 276.493 1.00 0.00 C +ATOM 69 CA CYS A 69 238.418 244.022 273.693 1.00 0.00 C +ATOM 70 CA SER A 70 238.119 247.736 274.487 1.00 0.00 C +ATOM 71 CA ASP A 71 235.865 249.954 272.363 1.00 0.00 C +ATOM 72 CA GLY A 72 232.784 247.973 271.316 1.00 0.00 C +ATOM 73 CA SER A 73 230.113 249.016 268.808 1.00 0.00 C +ATOM 74 CA ASP A 74 229.043 252.663 268.547 1.00 0.00 C +ATOM 75 CA GLY A 75 226.714 254.531 270.914 1.00 0.00 C +ATOM 76 CA SER A 76 223.041 255.511 270.648 1.00 0.00 C +ATOM 77 CA ASP A 77 221.578 253.738 267.609 1.00 0.00 C +ATOM 78 CA GLY A 78 220.537 256.137 264.839 1.00 0.00 C +ATOM 79 CA TYR A 79 221.253 259.877 264.975 1.00 0.00 C +ATOM 80 CA ASP A 80 220.960 262.736 262.474 1.00 0.00 C +ATOM 81 CA ASP A 81 223.917 264.948 261.537 1.00 0.00 C +ATOM 82 CA TYR A 82 227.493 265.729 260.479 1.00 0.00 C +ATOM 83 CA CYS A 83 230.381 263.463 261.500 1.00 0.00 C +ATOM 84 CA GLU A 84 233.544 263.492 263.623 1.00 0.00 C +ATOM 85 CA ASP A 85 236.308 261.133 264.769 1.00 0.00 C +ATOM 86 CA GLU A 86 235.937 258.745 267.715 1.00 0.00 C +ATOM 87 CA GLY A 87 232.298 257.983 268.548 1.00 0.00 C +ATOM 88 CA ASP A 88 229.369 260.174 267.482 1.00 0.00 C +ATOM 89 CA TYR A 89 229.107 263.879 268.328 1.00 0.00 C +ATOM 90 CA TYR A 90 228.751 266.353 271.204 1.00 0.00 C +ATOM 91 CA PRO A 91 226.840 264.492 273.925 1.00 0.00 C +ATOM 92 CA PRO A 92 223.210 265.640 274.065 1.00 0.00 C +ATOM 93 CA GLY A 93 222.401 267.930 271.130 1.00 0.00 C +ATOM 94 CA HIS A 94 221.441 270.205 268.228 1.00 0.00 C +ATOM 95 CA ALA A 95 220.748 269.694 264.517 1.00 0.00 C +ATOM 96 CA HIS A 96 218.786 270.168 261.285 1.00 0.00 C +ATOM 97 CA GLN A 97 218.617 269.359 257.566 1.00 0.00 C +ATOM 98 CA HIS A 98 221.627 270.952 255.857 1.00 0.00 C +ATOM 99 CA GLN A 99 224.712 270.027 253.822 1.00 0.00 C +ATOM 100 CA PRO A 100 226.423 270.363 250.434 1.00 0.00 C +TER 101 PRO A 100 +END diff --git a/Fungi/A0A642V8F4/A0A642V8F4.dcd b/Fungi/A0A642V8F4/A0A642V8F4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..4f706c690956228d829b3c93fa2ed808fd7abe60 --- /dev/null +++ b/Fungi/A0A642V8F4/A0A642V8F4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6bb72cdda5e59d483d110da568d309685d9baadd93a69e0e8ec15d7a9ed0e46a +size 12080276 diff --git a/Fungi/A0A642V8F4/top.pdb b/Fungi/A0A642V8F4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..43118715d109e3ec947d09c568f1b479a8cb4971 --- /dev/null +++ b/Fungi/A0A642V8F4/top.pdb @@ -0,0 +1,98 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 259.558 245.458 252.265 1.00 0.00 C +ATOM 2 CA SER A 2 262.802 245.389 254.262 1.00 0.00 C +ATOM 3 CA ALA A 3 265.733 247.552 255.378 1.00 0.00 C +ATOM 4 CA LYS A 4 269.146 248.773 254.206 1.00 0.00 C +ATOM 5 CA ASP A 5 271.317 245.700 253.606 1.00 0.00 C +ATOM 6 CA TYR A 6 272.403 245.430 249.964 1.00 0.00 C +ATOM 7 CA TYR A 7 271.715 245.741 246.229 1.00 0.00 C +ATOM 8 CA ASN A 8 268.676 246.197 243.978 1.00 0.00 C +ATOM 9 CA GLN A 9 267.358 249.207 242.050 1.00 0.00 C +ATOM 10 CA PRO A 10 268.384 250.196 238.516 1.00 0.00 C +ATOM 11 CA VAL A 11 267.214 253.369 236.761 1.00 0.00 C +ATOM 12 CA SER A 12 263.644 254.122 235.663 1.00 0.00 C +ATOM 13 CA ASP A 13 260.880 254.520 233.072 1.00 0.00 C +ATOM 14 CA ARG A 14 261.330 252.096 230.167 1.00 0.00 C +ATOM 15 CA GLY A 15 260.097 253.609 226.895 1.00 0.00 C +ATOM 16 CA PHE A 16 262.253 252.000 224.197 1.00 0.00 C +ATOM 17 CA GLY A 17 260.710 248.796 222.829 1.00 0.00 C +ATOM 18 CA GLY A 18 261.703 246.517 219.941 1.00 0.00 C +ATOM 19 CA GLY A 19 260.337 243.048 220.729 1.00 0.00 C +ATOM 20 CA GLY A 20 258.222 240.291 222.290 1.00 0.00 C +ATOM 21 CA GLY A 21 259.644 238.785 225.488 1.00 0.00 C +ATOM 22 CA GLY A 22 258.536 238.701 229.132 1.00 0.00 C +ATOM 23 CA TYR A 23 255.991 236.176 230.421 1.00 0.00 C +ATOM 24 CA TYR A 24 252.811 237.868 231.662 1.00 0.00 C +ATOM 25 CA PRO A 25 252.795 238.303 235.447 1.00 0.00 C +ATOM 26 CA GLN A 26 253.711 239.526 238.938 1.00 0.00 C +ATOM 27 CA GLN A 27 253.768 236.349 241.040 1.00 0.00 C +ATOM 28 CA GLY A 28 251.681 233.700 242.813 1.00 0.00 C +ATOM 29 CA GLY A 29 253.900 232.225 245.537 1.00 0.00 C +ATOM 30 CA TYR A 30 251.878 229.925 247.804 1.00 0.00 C +ATOM 31 CA PRO A 31 253.448 227.703 250.470 1.00 0.00 C +ATOM 32 CA GLN A 32 251.560 224.944 252.297 1.00 0.00 C +ATOM 33 CA GLN A 33 249.377 224.614 255.402 1.00 0.00 C +ATOM 34 CA GLY A 34 245.659 225.035 254.682 1.00 0.00 C +ATOM 35 CA GLY A 35 242.281 224.423 256.333 1.00 0.00 C +ATOM 36 CA TYR A 36 239.900 227.317 257.020 1.00 0.00 C +ATOM 37 CA PRO A 37 241.258 230.872 257.193 1.00 0.00 C +ATOM 38 CA GLN A 38 239.658 234.318 257.485 1.00 0.00 C +ATOM 39 CA GLN A 39 236.737 236.350 258.847 1.00 0.00 C +ATOM 40 CA GLY A 40 233.499 234.756 257.627 1.00 0.00 C +ATOM 41 CA GLY A 41 230.877 235.737 255.042 1.00 0.00 C +ATOM 42 CA TYR A 42 227.770 236.481 257.118 1.00 0.00 C +ATOM 43 CA PRO A 43 226.673 238.171 260.352 1.00 0.00 C +ATOM 44 CA GLN A 44 226.375 240.564 263.302 1.00 0.00 C +ATOM 45 CA GLN A 45 226.582 244.114 261.936 1.00 0.00 C +ATOM 46 CA GLY A 46 226.549 246.321 265.042 1.00 0.00 C +ATOM 47 CA TYR A 47 225.486 246.723 268.678 1.00 0.00 C +ATOM 48 CA GLY A 48 226.232 243.417 270.418 1.00 0.00 C +ATOM 49 CA GLY A 49 229.902 242.830 271.255 1.00 0.00 C +ATOM 50 CA TYR A 50 230.619 242.127 274.930 1.00 0.00 C +ATOM 51 CA PRO A 51 228.731 242.941 278.137 1.00 0.00 C +ATOM 52 CA GLN A 52 227.115 245.958 279.812 1.00 0.00 C +ATOM 53 CA GLN A 53 228.758 249.389 279.608 1.00 0.00 C +ATOM 54 CA GLY A 54 232.483 249.525 278.821 1.00 0.00 C +ATOM 55 CA GLY A 55 235.948 251.101 278.657 1.00 0.00 C +ATOM 56 CA TYR A 56 237.459 254.279 277.196 1.00 0.00 C +ATOM 57 CA GLY A 57 238.590 255.712 273.852 1.00 0.00 C +ATOM 58 CA GLY A 58 240.596 254.772 270.752 1.00 0.00 C +ATOM 59 CA TYR A 59 243.202 255.306 268.025 1.00 0.00 C +ATOM 60 CA PRO A 60 242.967 253.060 264.956 1.00 0.00 C +ATOM 61 CA GLN A 61 243.427 251.941 261.343 1.00 0.00 C +ATOM 62 CA GLN A 62 247.092 251.558 260.375 1.00 0.00 C +ATOM 63 CA PRO A 63 249.784 251.575 263.070 1.00 0.00 C +ATOM 64 CA TYR A 64 253.486 250.827 263.575 1.00 0.00 C +ATOM 65 CA GLY A 65 256.620 252.479 264.977 1.00 0.00 C +ATOM 66 CA GLN A 66 260.161 253.467 265.977 1.00 0.00 C +ATOM 67 CA GLN A 67 262.220 255.439 263.449 1.00 0.00 C +ATOM 68 CA GLN A 68 261.513 256.760 259.946 1.00 0.00 C +ATOM 69 CA GLN A 69 261.552 257.304 256.176 1.00 0.00 C +ATOM 70 CA PRO A 70 263.020 256.976 252.675 1.00 0.00 C +ATOM 71 CA VAL A 71 266.326 256.183 250.954 1.00 0.00 C +ATOM 72 CA TYR A 72 267.288 258.727 248.286 1.00 0.00 C +ATOM 73 CA VAL A 73 264.635 260.907 246.634 1.00 0.00 C +ATOM 74 CA GLN A 74 262.008 262.024 249.158 1.00 0.00 C +ATOM 75 CA GLN A 75 258.768 263.793 248.214 1.00 0.00 C +ATOM 76 CA GLN A 76 259.168 267.500 248.999 1.00 0.00 C +ATOM 77 CA PRO A 77 261.648 268.931 246.485 1.00 0.00 C +ATOM 78 CA GLN A 78 261.634 268.187 242.748 1.00 0.00 C +ATOM 79 CA GLN A 79 259.792 270.349 240.209 1.00 0.00 C +ATOM 80 CA SER A 80 257.823 273.606 240.032 1.00 0.00 C +ATOM 81 CA SER A 81 254.320 272.666 241.196 1.00 0.00 C +ATOM 82 CA GLY A 82 251.219 272.818 243.405 1.00 0.00 C +ATOM 83 CA GLY A 83 248.521 270.998 241.424 1.00 0.00 C +ATOM 84 CA ARG A 84 246.395 272.544 238.667 1.00 0.00 C +ATOM 85 CA GLY A 85 247.137 271.044 235.244 1.00 0.00 C +ATOM 86 CA ALA A 86 244.912 268.738 233.184 1.00 0.00 C +ATOM 87 CA GLY A 87 242.704 266.366 231.181 1.00 0.00 C +ATOM 88 CA MET A 88 241.434 262.818 231.746 1.00 0.00 C +ATOM 89 CA GLY A 89 240.274 261.968 235.274 1.00 0.00 C +ATOM 90 CA CYS A 90 239.091 263.356 238.620 1.00 0.00 C +ATOM 91 CA CYS A 91 238.031 266.084 241.060 1.00 0.00 C +ATOM 92 CA GLY A 92 240.400 269.065 240.948 1.00 0.00 C +ATOM 93 CA ALA A 93 239.809 271.796 243.538 1.00 0.00 C +ATOM 94 CA TRP A 94 243.300 272.780 244.706 1.00 0.00 C +TER 95 TRP A 94 +END diff --git a/Fungi/A0A656KEG0/A0A656KEG0.dcd b/Fungi/A0A656KEG0/A0A656KEG0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..0e67b7ea91f6434920268cf5dd72eae6e1c7acff --- /dev/null +++ b/Fungi/A0A656KEG0/A0A656KEG0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1616b2b9df1518c489c1147f8b594e572224c1ec05d4251b41f36a705f40f251 +size 8360276 diff --git a/Fungi/A0A656KEG0/top.pdb b/Fungi/A0A656KEG0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..43506c588cc40f17e933b0a71baa1072d460717f --- /dev/null +++ b/Fungi/A0A656KEG0/top.pdb @@ -0,0 +1,67 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 240.067 273.378 200.052 1.00 0.00 C +ATOM 2 CA MET A 2 237.283 274.110 202.548 1.00 0.00 C +ATOM 3 CA SER A 3 235.133 272.914 205.457 1.00 0.00 C +ATOM 4 CA GLY A 4 232.245 270.734 204.263 1.00 0.00 C +ATOM 5 CA GLU A 5 232.741 267.248 205.720 1.00 0.00 C +ATOM 6 CA GLY A 6 234.838 267.363 208.899 1.00 0.00 C +ATOM 7 CA GLU A 7 238.480 268.365 209.395 1.00 0.00 C +ATOM 8 CA ARG A 8 241.362 268.020 206.926 1.00 0.00 C +ATOM 9 CA GLU A 9 244.254 270.077 208.311 1.00 0.00 C +ATOM 10 CA ARG A 10 247.864 270.540 209.439 1.00 0.00 C +ATOM 11 CA LYS A 11 248.551 269.804 213.114 1.00 0.00 C +ATOM 12 CA PRO A 12 250.744 270.576 216.133 1.00 0.00 C +ATOM 13 CA PHE A 13 252.214 270.936 219.629 1.00 0.00 C +ATOM 14 CA ALA A 14 251.327 267.934 221.801 1.00 0.00 C +ATOM 15 CA GLY A 15 250.359 268.504 225.442 1.00 0.00 C +ATOM 16 CA ARG A 16 248.777 265.516 227.198 1.00 0.00 C +ATOM 17 CA GLY A 17 247.548 261.911 227.274 1.00 0.00 C +ATOM 18 CA ARG A 18 246.213 260.694 230.629 1.00 0.00 C +ATOM 19 CA GLY A 19 247.341 257.145 231.431 1.00 0.00 C +ATOM 20 CA GLY A 20 244.440 255.154 232.892 1.00 0.00 C +ATOM 21 CA ASP A 21 245.605 252.461 235.322 1.00 0.00 C +ATOM 22 CA ARG A 22 246.649 253.260 238.898 1.00 0.00 C +ATOM 23 CA GLY A 23 244.663 251.698 241.750 1.00 0.00 C +ATOM 24 CA ASP A 24 241.198 251.717 243.333 1.00 0.00 C +ATOM 25 CA ARG A 25 241.399 252.430 247.071 1.00 0.00 C +ATOM 26 CA GLU A 26 245.022 253.030 248.087 1.00 0.00 C +ATOM 27 CA GLY A 27 246.314 253.986 251.541 1.00 0.00 C +ATOM 28 CA GLY A 28 246.778 253.742 255.315 1.00 0.00 C +ATOM 29 CA TYR A 29 244.690 250.985 256.914 1.00 0.00 C +ATOM 30 CA ARG A 30 242.655 249.906 259.948 1.00 0.00 C +ATOM 31 CA ARG A 31 243.781 247.668 262.820 1.00 0.00 C +ATOM 32 CA ARG A 32 242.105 244.285 263.327 1.00 0.00 C +ATOM 33 CA ASP A 33 244.469 241.673 264.779 1.00 0.00 C +ATOM 34 CA ALA A 34 244.929 239.262 267.693 1.00 0.00 C +ATOM 35 CA GLY A 35 245.297 240.490 271.281 1.00 0.00 C +ATOM 36 CA GLU A 36 246.776 244.000 271.325 1.00 0.00 C +ATOM 37 CA GLY A 37 250.006 244.268 269.321 1.00 0.00 C +ATOM 38 CA LYS A 38 251.737 246.058 266.438 1.00 0.00 C +ATOM 39 CA GLU A 39 255.226 245.189 265.179 1.00 0.00 C +ATOM 40 CA GLY A 40 259.017 245.571 265.130 1.00 0.00 C +ATOM 41 CA GLY A 41 262.294 247.395 264.458 1.00 0.00 C +ATOM 42 CA ALA A 42 265.773 248.880 264.005 1.00 0.00 C +ATOM 43 CA PRO A 43 268.823 246.685 263.374 1.00 0.00 C +ATOM 44 CA GLY A 44 271.134 245.779 266.265 1.00 0.00 C +ATOM 45 CA GLU A 45 271.998 243.467 269.167 1.00 0.00 C +ATOM 46 CA PHE A 46 269.277 243.243 271.824 1.00 0.00 C +ATOM 47 CA ALA A 47 267.420 241.607 274.721 1.00 0.00 C +ATOM 48 CA PRO A 48 266.126 243.267 277.897 1.00 0.00 C +ATOM 49 CA GLN A 49 262.362 243.741 277.551 1.00 0.00 C +ATOM 50 CA PHE A 50 260.685 240.649 279.015 1.00 0.00 C +ATOM 51 CA ARG A 51 261.171 236.955 278.218 1.00 0.00 C +ATOM 52 CA GLY A 52 261.066 236.137 274.498 1.00 0.00 C +ATOM 53 CA PHE A 53 261.323 233.611 271.657 1.00 0.00 C +ATOM 54 CA GLY A 54 259.183 230.655 272.752 1.00 0.00 C +ATOM 55 CA ARG A 55 256.071 231.298 274.853 1.00 0.00 C +ATOM 56 CA GLY A 56 252.390 232.136 275.368 1.00 0.00 C +ATOM 57 CA ALA A 57 248.994 232.024 277.091 1.00 0.00 C +ATOM 58 CA GLY A 58 245.597 231.254 278.635 1.00 0.00 C +ATOM 59 CA ARG A 59 242.984 229.316 276.653 1.00 0.00 C +ATOM 60 CA GLY A 60 243.909 225.642 276.253 1.00 0.00 C +ATOM 61 CA GLY A 61 247.364 224.127 276.789 1.00 0.00 C +ATOM 62 CA ALA A 62 250.659 225.849 277.624 1.00 0.00 C +ATOM 63 CA SER A 63 253.301 223.683 279.311 1.00 0.00 C +TER 64 SER A 63 +END diff --git a/Fungi/A0A656KPJ2/A0A656KPJ2.dcd b/Fungi/A0A656KPJ2/A0A656KPJ2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..dc79e7b828dc0d6ae26a8031cd5491a43837c5c8 --- /dev/null +++ b/Fungi/A0A656KPJ2/A0A656KPJ2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2c690bf3b09d57b08d5fd8472cb73ddb5177f6e1f969c5b87be2bc3d35040630 +size 18200276 diff --git a/Fungi/A0A656KPJ2/top.pdb b/Fungi/A0A656KPJ2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..dd6452a9de3767205742ea6631a33d6196c59013 --- /dev/null +++ b/Fungi/A0A656KPJ2/top.pdb @@ -0,0 +1,149 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 305.252 273.350 218.863 1.00 0.00 C +ATOM 2 CA PRO A 2 304.233 275.414 221.899 1.00 0.00 C +ATOM 3 CA GLY A 3 305.621 275.474 225.447 1.00 0.00 C +ATOM 4 CA PRO A 4 306.659 271.874 226.137 1.00 0.00 C +ATOM 5 CA PRO A 5 308.502 269.579 228.556 1.00 0.00 C +ATOM 6 CA SER A 6 309.720 266.479 230.407 1.00 0.00 C +ATOM 7 CA ARG A 7 307.915 265.061 233.448 1.00 0.00 C +ATOM 8 CA ALA A 8 306.088 261.929 232.275 1.00 0.00 C +ATOM 9 CA GLU A 9 305.989 258.914 234.602 1.00 0.00 C +ATOM 10 CA SER A 10 303.030 259.609 236.900 1.00 0.00 C +ATOM 11 CA PHE A 11 302.336 256.374 238.788 1.00 0.00 C +ATOM 12 CA ARG A 12 302.206 252.582 239.135 1.00 0.00 C +ATOM 13 CA ASN A 13 302.095 248.847 239.878 1.00 0.00 C +ATOM 14 CA PRO A 14 299.517 246.677 241.656 1.00 0.00 C +ATOM 15 CA LEU A 15 300.708 245.044 244.886 1.00 0.00 C +ATOM 16 CA ARG A 16 299.120 241.639 245.521 1.00 0.00 C +ATOM 17 CA SER A 17 297.630 238.133 245.439 1.00 0.00 C +ATOM 18 CA SER A 18 294.307 236.940 246.870 1.00 0.00 C +ATOM 19 CA LYS A 19 290.586 236.345 246.309 1.00 0.00 C +ATOM 20 CA GLY A 20 288.762 237.636 243.223 1.00 0.00 C +ATOM 21 CA ALA A 21 285.004 237.163 242.812 1.00 0.00 C +ATOM 22 CA PRO A 22 283.637 238.448 239.496 1.00 0.00 C +ATOM 23 CA SER A 23 281.594 239.675 236.523 1.00 0.00 C +ATOM 24 CA ARG A 24 279.057 239.293 233.707 1.00 0.00 C +ATOM 25 CA PRO A 25 275.444 238.516 232.780 1.00 0.00 C +ATOM 26 CA LYS A 26 273.354 236.660 235.369 1.00 0.00 C +ATOM 27 CA GLY A 27 273.604 236.182 239.141 1.00 0.00 C +ATOM 28 CA PRO A 28 270.421 237.789 240.484 1.00 0.00 C +ATOM 29 CA PRO A 29 271.075 241.100 242.253 1.00 0.00 C +ATOM 30 CA PRO A 30 269.401 244.205 243.693 1.00 0.00 C +ATOM 31 CA SER A 31 267.101 246.017 246.130 1.00 0.00 C +ATOM 32 CA GLY A 32 265.875 249.094 244.247 1.00 0.00 C +ATOM 33 CA MET A 33 266.883 251.019 241.117 1.00 0.00 C +ATOM 34 CA ALA A 34 265.702 254.465 240.000 1.00 0.00 C +ATOM 35 CA PRO A 35 267.631 255.181 236.793 1.00 0.00 C +ATOM 36 CA PRO A 36 269.117 255.024 233.289 1.00 0.00 C +ATOM 37 CA ARG A 37 272.764 256.093 233.561 1.00 0.00 C +ATOM 38 CA PRO A 38 273.193 259.688 234.747 1.00 0.00 C +ATOM 39 CA GLY A 39 276.339 261.681 233.941 1.00 0.00 C +ATOM 40 CA GLY A 40 277.386 265.340 234.109 1.00 0.00 C +ATOM 41 CA PRO A 41 275.082 268.375 234.114 1.00 0.00 C +ATOM 42 CA PRO A 42 271.822 269.097 232.280 1.00 0.00 C +ATOM 43 CA PRO A 43 268.676 266.950 232.172 1.00 0.00 C +ATOM 44 CA GLY A 44 265.070 267.708 231.202 1.00 0.00 C +ATOM 45 CA GLY A 45 261.698 268.750 232.637 1.00 0.00 C +ATOM 46 CA MET A 46 261.550 268.260 236.413 1.00 0.00 C +ATOM 47 CA ALA A 47 264.482 266.953 238.465 1.00 0.00 C +ATOM 48 CA PRO A 48 264.477 263.984 240.852 1.00 0.00 C +ATOM 49 CA PRO A 49 262.256 261.205 239.487 1.00 0.00 C +ATOM 50 CA ARG A 50 258.523 260.664 240.021 1.00 0.00 C +ATOM 51 CA PRO A 51 254.883 261.787 240.098 1.00 0.00 C +ATOM 52 CA GLY A 52 252.122 259.938 241.962 1.00 0.00 C +ATOM 53 CA GLY A 53 249.033 258.923 243.948 1.00 0.00 C +ATOM 54 CA PRO A 54 249.198 256.231 246.639 1.00 0.00 C +ATOM 55 CA PRO A 55 248.597 252.902 248.393 1.00 0.00 C +ATOM 56 CA PRO A 56 251.374 251.296 250.447 1.00 0.00 C +ATOM 57 CA GLY A 57 254.685 249.727 251.495 1.00 0.00 C +ATOM 58 CA GLY A 58 256.886 247.232 249.639 1.00 0.00 C +ATOM 59 CA MET A 59 257.837 247.646 245.973 1.00 0.00 C +ATOM 60 CA GLY A 60 256.984 245.717 242.800 1.00 0.00 C +ATOM 61 CA PRO A 61 255.765 243.098 240.315 1.00 0.00 C +ATOM 62 CA PRO A 62 254.363 239.915 238.759 1.00 0.00 C +ATOM 63 CA ARG A 63 254.573 237.083 236.220 1.00 0.00 C +ATOM 64 CA PRO A 64 252.481 233.916 235.889 1.00 0.00 C +ATOM 65 CA GLY A 65 249.626 234.318 238.380 1.00 0.00 C +ATOM 66 CA GLY A 66 247.715 234.914 241.621 1.00 0.00 C +ATOM 67 CA PRO A 67 248.751 237.583 244.136 1.00 0.00 C +ATOM 68 CA PRO A 68 249.762 238.539 247.683 1.00 0.00 C +ATOM 69 CA PRO A 69 252.695 237.703 249.966 1.00 0.00 C +ATOM 70 CA GLY A 70 252.948 235.444 253.024 1.00 0.00 C +ATOM 71 CA GLY A 71 250.710 232.539 254.058 1.00 0.00 C +ATOM 72 CA MET A 72 247.579 230.924 255.507 1.00 0.00 C +ATOM 73 CA GLY A 73 245.111 232.489 257.952 1.00 0.00 C +ATOM 74 CA PRO A 74 242.726 233.443 260.766 1.00 0.00 C +ATOM 75 CA PRO A 75 240.977 230.528 262.486 1.00 0.00 C +ATOM 76 CA ARG A 76 242.112 227.650 264.710 1.00 0.00 C +ATOM 77 CA PRO A 77 245.023 225.655 263.275 1.00 0.00 C +ATOM 78 CA GLY A 78 245.804 222.010 262.489 1.00 0.00 C +ATOM 79 CA GLY A 79 245.534 218.777 264.487 1.00 0.00 C +ATOM 80 CA PRO A 80 246.849 218.391 268.042 1.00 0.00 C +ATOM 81 CA PRO A 81 245.972 216.380 271.157 1.00 0.00 C +ATOM 82 CA GLY A 82 243.163 213.896 270.485 1.00 0.00 C +ATOM 83 CA PHE A 83 239.596 214.565 271.644 1.00 0.00 C +ATOM 84 CA GLY A 84 237.229 213.923 268.728 1.00 0.00 C +ATOM 85 CA ALA A 85 235.209 210.843 269.706 1.00 0.00 C +ATOM 86 CA PRO A 86 233.144 209.548 266.778 1.00 0.00 C +ATOM 87 CA PRO A 87 231.352 206.397 265.605 1.00 0.00 C +ATOM 88 CA GLY A 88 229.308 206.572 262.395 1.00 0.00 C +ATOM 89 CA GLN A 89 225.849 208.110 262.832 1.00 0.00 C +ATOM 90 CA ASP A 90 222.285 209.025 261.846 1.00 0.00 C +ATOM 91 CA PHE A 91 221.833 212.574 260.534 1.00 0.00 C +ATOM 92 CA PRO A 92 223.518 215.700 259.154 1.00 0.00 C +ATOM 93 CA PRO A 93 226.519 217.016 257.211 1.00 0.00 C +ATOM 94 CA ALA A 94 228.215 220.248 258.304 1.00 0.00 C +ATOM 95 CA ALA A 95 228.115 223.835 259.587 1.00 0.00 C +ATOM 96 CA PRO A 96 225.215 224.845 261.842 1.00 0.00 C +ATOM 97 CA PRO A 97 222.167 227.123 261.651 1.00 0.00 C +ATOM 98 CA ARG A 98 219.512 226.016 259.153 1.00 0.00 C +ATOM 99 CA PRO A 99 217.456 228.258 256.859 1.00 0.00 C +ATOM 100 CA LEU A 100 214.075 228.193 255.103 1.00 0.00 C +ATOM 101 CA LEU A 101 211.683 225.558 253.743 1.00 0.00 C +ATOM 102 CA ASP A 102 211.339 225.383 249.953 1.00 0.00 C +ATOM 103 CA GLU A 103 209.991 224.444 246.515 1.00 0.00 C +ATOM 104 CA PHE A 104 211.220 227.083 244.057 1.00 0.00 C +ATOM 105 CA ASN A 105 212.106 230.546 242.740 1.00 0.00 C +ATOM 106 CA ARG A 106 215.070 232.860 242.128 1.00 0.00 C +ATOM 107 CA PRO A 107 214.871 236.263 243.832 1.00 0.00 C +ATOM 108 CA HIS A 108 213.185 239.077 245.770 1.00 0.00 C +ATOM 109 CA ASP A 109 210.965 242.112 246.383 1.00 0.00 C +ATOM 110 CA ARG A 110 211.283 245.172 248.631 1.00 0.00 C +ATOM 111 CA SER A 111 214.357 246.921 250.047 1.00 0.00 C +ATOM 112 CA PHE A 112 214.258 248.817 253.350 1.00 0.00 C +ATOM 113 CA LEU A 113 214.383 252.369 254.723 1.00 0.00 C +ATOM 114 CA ALA A 114 217.998 253.570 254.622 1.00 0.00 C +ATOM 115 CA ASP A 115 220.744 255.923 255.822 1.00 0.00 C +ATOM 116 CA ALA A 116 222.534 259.206 256.551 1.00 0.00 C +ATOM 117 CA ILE A 117 226.008 260.739 256.236 1.00 0.00 C +ATOM 118 CA ALA A 118 225.799 264.531 255.930 1.00 0.00 C +ATOM 119 CA MET A 119 227.788 266.341 253.232 1.00 0.00 C +ATOM 120 CA HIS A 120 226.232 269.707 252.357 1.00 0.00 C +ATOM 121 CA PRO A 121 226.450 272.539 249.818 1.00 0.00 C +ATOM 122 CA TYR A 122 229.607 273.675 248.013 1.00 0.00 C +ATOM 123 CA PRO A 123 231.568 275.851 250.449 1.00 0.00 C +ATOM 124 CA GLY A 124 234.959 277.319 249.520 1.00 0.00 C +ATOM 125 CA PRO A 125 235.987 279.355 252.572 1.00 0.00 C +ATOM 126 CA THR A 126 237.506 279.261 256.065 1.00 0.00 C +ATOM 127 CA ASP A 127 235.191 277.076 258.160 1.00 0.00 C +ATOM 128 CA TYR A 128 232.656 277.606 260.954 1.00 0.00 C +ATOM 129 CA ASN A 129 229.029 278.742 260.692 1.00 0.00 C +ATOM 130 CA PRO A 130 226.685 280.923 262.758 1.00 0.00 C +ATOM 131 CA ASP A 131 224.361 280.509 265.748 1.00 0.00 C +ATOM 132 CA SER A 132 224.969 282.044 269.182 1.00 0.00 C +ATOM 133 CA TYR A 133 226.608 279.613 271.615 1.00 0.00 C +ATOM 134 CA ASP A 134 225.361 278.911 275.146 1.00 0.00 C +ATOM 135 CA THR A 135 223.723 280.394 278.250 1.00 0.00 C +ATOM 136 CA THR A 136 224.466 282.918 281.006 1.00 0.00 C +ATOM 137 CA THR A 137 224.447 286.589 279.987 1.00 0.00 C +ATOM 138 CA TYR A 138 225.691 287.750 276.579 1.00 0.00 C +ATOM 139 CA ASP A 139 224.510 290.906 274.801 1.00 0.00 C +ATOM 140 CA SER A 140 222.736 290.857 271.430 1.00 0.00 C +ATOM 141 CA GLU A 141 223.443 294.034 269.450 1.00 0.00 C +ATOM 142 CA ASP A 142 221.065 296.870 270.356 1.00 0.00 C +ATOM 143 CA GLU A 143 222.540 300.377 270.157 1.00 0.00 C +ATOM 144 CA TYR A 144 225.432 302.642 269.147 1.00 0.00 C +ATOM 145 CA TYR A 145 228.264 304.755 267.721 1.00 0.00 C +TER 146 TYR A 145 +END diff --git a/Fungi/A0A6A4HC32/A0A6A4HC32.dcd b/Fungi/A0A6A4HC32/A0A6A4HC32.dcd new file mode 100644 index 0000000000000000000000000000000000000000..51982ebc936765564ed19e4e4d6bd3a54266a5dc --- /dev/null +++ b/Fungi/A0A6A4HC32/A0A6A4HC32.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ddace3eacfea278a09dc32ca07b5323fea0d591d4afdda426be6976dd06b4bcd +size 13280276 diff --git a/Fungi/A0A6A4HC32/top.pdb b/Fungi/A0A6A4HC32/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..eb5c55c6489b3adb44e9dc18aa01289c22e3b2e2 --- /dev/null +++ b/Fungi/A0A6A4HC32/top.pdb @@ -0,0 +1,108 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 301.889 263.704 278.285 1.00 0.00 C +ATOM 2 CA GLY A 2 299.682 266.807 278.174 1.00 0.00 C +ATOM 3 CA GLY A 3 299.629 268.564 274.794 1.00 0.00 C +ATOM 4 CA GLY A 4 297.423 270.289 272.210 1.00 0.00 C +ATOM 5 CA VAL A 5 293.701 270.600 272.960 1.00 0.00 C +ATOM 6 CA PHE A 6 292.619 269.995 276.563 1.00 0.00 C +ATOM 7 CA SER A 7 293.678 267.461 279.203 1.00 0.00 C +ATOM 8 CA GLY A 8 293.784 264.842 281.968 1.00 0.00 C +ATOM 9 CA SER A 9 295.788 262.581 284.289 1.00 0.00 C +ATOM 10 CA THR A 10 293.498 259.750 285.412 1.00 0.00 C +ATOM 11 CA ARG A 11 290.828 258.704 282.904 1.00 0.00 C +ATOM 12 CA THR A 12 288.997 261.131 280.608 1.00 0.00 C +ATOM 13 CA LEU A 13 286.536 263.480 282.324 1.00 0.00 C +ATOM 14 CA THR A 14 287.289 266.795 284.044 1.00 0.00 C +ATOM 15 CA SER A 15 288.766 270.120 285.173 1.00 0.00 C +ATOM 16 CA SER A 16 289.487 272.591 282.364 1.00 0.00 C +ATOM 17 CA THR A 17 286.363 274.167 280.857 1.00 0.00 C +ATOM 18 CA PRO A 18 284.769 277.627 280.830 1.00 0.00 C +ATOM 19 CA THR A 19 283.034 278.721 277.620 1.00 0.00 C +ATOM 20 CA PRO A 20 282.537 279.845 274.013 1.00 0.00 C +ATOM 21 CA TYR A 21 281.574 278.626 270.535 1.00 0.00 C +ATOM 22 CA ASN A 22 281.778 276.355 267.482 1.00 0.00 C +ATOM 23 CA ASP A 23 281.879 273.910 264.562 1.00 0.00 C +ATOM 24 CA PRO A 24 281.557 272.567 261.011 1.00 0.00 C +ATOM 25 CA ARG A 25 279.980 275.350 258.941 1.00 0.00 C +ATOM 26 CA ASN A 26 276.551 276.846 258.219 1.00 0.00 C +ATOM 27 CA GLY A 27 273.391 278.961 257.976 1.00 0.00 C +ATOM 28 CA THR A 28 270.838 279.027 255.150 1.00 0.00 C +ATOM 29 CA ALA A 29 268.967 279.636 251.887 1.00 0.00 C +ATOM 30 CA THR A 30 267.859 276.729 249.687 1.00 0.00 C +ATOM 31 CA SER A 31 268.797 273.584 251.623 1.00 0.00 C +ATOM 32 CA THR A 32 268.156 270.725 249.187 1.00 0.00 C +ATOM 33 CA LEU A 33 269.095 267.320 250.614 1.00 0.00 C +ATOM 34 CA THR A 34 271.022 264.504 252.310 1.00 0.00 C +ATOM 35 CA PRO A 35 273.288 261.904 250.690 1.00 0.00 C +ATOM 36 CA TYR A 36 271.058 259.373 248.919 1.00 0.00 C +ATOM 37 CA ASP A 37 267.857 257.947 247.424 1.00 0.00 C +ATOM 38 CA SER A 38 266.971 256.789 243.904 1.00 0.00 C +ATOM 39 CA ARG A 39 264.901 253.626 244.378 1.00 0.00 C +ATOM 40 CA SER A 40 263.686 250.256 243.079 1.00 0.00 C +ATOM 41 CA GLY A 41 261.826 247.178 241.822 1.00 0.00 C +ATOM 42 CA ALA A 42 259.282 245.008 243.648 1.00 0.00 C +ATOM 43 CA THR A 43 255.796 243.827 244.633 1.00 0.00 C +ATOM 44 CA PRO A 44 254.578 244.302 248.212 1.00 0.00 C +ATOM 45 CA THR A 45 253.272 245.003 251.721 1.00 0.00 C +ATOM 46 CA PRO A 46 250.654 244.603 254.460 1.00 0.00 C +ATOM 47 CA TYR A 47 248.919 241.300 255.233 1.00 0.00 C +ATOM 48 CA ASP A 48 251.625 238.837 256.296 1.00 0.00 C +ATOM 49 CA SER A 49 255.242 239.829 256.966 1.00 0.00 C +ATOM 50 CA ARG A 50 255.733 243.553 257.602 1.00 0.00 C +ATOM 51 CA SER A 51 257.662 245.750 260.045 1.00 0.00 C +ATOM 52 CA ARG A 52 257.339 244.852 263.734 1.00 0.00 C +ATOM 53 CA SER A 53 253.599 244.338 264.244 1.00 0.00 C +ATOM 54 CA GLN A 54 250.457 244.110 266.388 1.00 0.00 C +ATOM 55 CA LEU A 55 249.640 240.883 268.241 1.00 0.00 C +ATOM 56 CA GLY A 56 252.126 237.996 268.201 1.00 0.00 C +ATOM 57 CA GLY A 57 252.115 235.724 265.143 1.00 0.00 C +ATOM 58 CA ALA A 58 251.064 232.104 265.699 1.00 0.00 C +ATOM 59 CA THR A 59 247.601 231.527 267.179 1.00 0.00 C +ATOM 60 CA PRO A 60 244.287 230.423 265.657 1.00 0.00 C +ATOM 61 CA THR A 61 241.839 233.330 265.395 1.00 0.00 C +ATOM 62 CA PRO A 62 242.214 237.042 264.620 1.00 0.00 C +ATOM 63 CA THR A 63 239.503 239.713 264.793 1.00 0.00 C +ATOM 64 CA PRO A 64 237.065 242.060 263.040 1.00 0.00 C +ATOM 65 CA TYR A 65 235.841 243.221 259.624 1.00 0.00 C +ATOM 66 CA ASP A 66 233.420 241.933 256.980 1.00 0.00 C +ATOM 67 CA SER A 67 229.944 240.419 257.365 1.00 0.00 C +ATOM 68 CA HIS A 68 228.204 238.639 254.481 1.00 0.00 C +ATOM 69 CA SER A 69 225.926 236.048 252.864 1.00 0.00 C +ATOM 70 CA ASN A 70 223.888 237.807 250.168 1.00 0.00 C +ATOM 71 CA PRO A 71 223.899 241.063 248.190 1.00 0.00 C +ATOM 72 CA PHE A 72 225.407 243.112 245.354 1.00 0.00 C +ATOM 73 CA ARG A 73 227.752 245.635 243.727 1.00 0.00 C +ATOM 74 CA ASN A 74 226.143 246.731 240.452 1.00 0.00 C +ATOM 75 CA PRO A 75 223.372 246.076 237.920 1.00 0.00 C +ATOM 76 CA ARG A 76 219.875 246.523 239.363 1.00 0.00 C +ATOM 77 CA LYS A 77 216.418 245.845 237.911 1.00 0.00 C +ATOM 78 CA GLN A 78 214.185 246.524 234.900 1.00 0.00 C +ATOM 79 CA GLY A 79 212.387 248.360 232.087 1.00 0.00 C +ATOM 80 CA HIS A 80 209.987 248.219 229.131 1.00 0.00 C +ATOM 81 CA SER A 81 207.636 245.236 228.836 1.00 0.00 C +ATOM 82 CA GLU A 82 204.893 242.686 229.534 1.00 0.00 C +ATOM 83 CA ALA A 83 204.664 238.882 229.537 1.00 0.00 C +ATOM 84 CA PRO A 84 204.224 237.831 225.901 1.00 0.00 C +ATOM 85 CA ARG A 85 206.261 234.745 224.986 1.00 0.00 C +ATOM 86 CA ALA A 86 206.386 233.326 221.452 1.00 0.00 C +ATOM 87 CA ALA A 87 204.301 233.304 218.263 1.00 0.00 C +ATOM 88 CA CYS A 88 204.005 234.712 214.735 1.00 0.00 C +ATOM 89 CA ALA A 89 203.701 235.809 211.099 1.00 0.00 C +ATOM 90 CA SER A 90 206.914 236.659 209.238 1.00 0.00 C +ATOM 91 CA VAL A 91 208.592 234.537 206.555 1.00 0.00 C +ATOM 92 CA THR A 92 212.268 233.773 205.910 1.00 0.00 C +ATOM 93 CA ASN A 93 214.305 230.875 204.507 1.00 0.00 C +ATOM 94 CA LEU A 94 215.705 227.358 204.068 1.00 0.00 C +ATOM 95 CA ASN A 95 218.569 225.300 205.509 1.00 0.00 C +ATOM 96 CA ARG A 96 220.840 225.384 208.567 1.00 0.00 C +ATOM 97 CA VAL A 97 222.264 222.628 210.779 1.00 0.00 C +ATOM 98 CA ARG A 98 225.531 223.785 212.361 1.00 0.00 C +ATOM 99 CA VAL A 99 227.623 226.170 214.471 1.00 0.00 C +ATOM 100 CA ARG A 100 225.244 227.682 217.034 1.00 0.00 C +ATOM 101 CA GLU A 101 223.830 230.466 219.218 1.00 0.00 C +ATOM 102 CA GLN A 102 220.722 232.332 220.391 1.00 0.00 C +ATOM 103 CA GLN A 103 217.115 232.522 219.179 1.00 0.00 C +ATOM 104 CA SER A 104 214.816 232.741 222.210 1.00 0.00 C +TER 105 SER A 104 +END diff --git a/Fungi/A0A6A4HI97/A0A6A4HI97.dcd b/Fungi/A0A6A4HI97/A0A6A4HI97.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c1c495d954aa4db9a50d076531738ff3a8589452 --- /dev/null +++ b/Fungi/A0A6A4HI97/A0A6A4HI97.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b9d73498e33946e9b9a9c0cb98a77f1507d2db6dbfa9ea2970b9c532b5ee2e70 +size 19280276 diff --git a/Fungi/A0A6A4HI97/top.pdb b/Fungi/A0A6A4HI97/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9bdf2838c1487425e7fdedea16f03e29c9d3752b --- /dev/null +++ b/Fungi/A0A6A4HI97/top.pdb @@ -0,0 +1,158 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 287.472 223.104 291.079 1.00 0.00 C +ATOM 2 CA ARG A 2 288.485 225.820 288.606 1.00 0.00 C +ATOM 3 CA ARG A 3 290.429 224.688 285.532 1.00 0.00 C +ATOM 4 CA PRO A 4 288.631 222.232 283.240 1.00 0.00 C +ATOM 5 CA HIS A 5 284.899 222.132 284.001 1.00 0.00 C +ATOM 6 CA THR A 6 283.036 225.361 283.212 1.00 0.00 C +ATOM 7 CA SER A 7 279.734 227.009 284.158 1.00 0.00 C +ATOM 8 CA ALA A 8 277.114 229.302 282.611 1.00 0.00 C +ATOM 9 CA PRO A 9 278.959 231.025 279.757 1.00 0.00 C +ATOM 10 CA GLY A 10 282.476 231.720 281.046 1.00 0.00 C +ATOM 11 CA ASP A 11 282.385 233.041 284.619 1.00 0.00 C +ATOM 12 CA GLY A 12 279.068 234.897 284.876 1.00 0.00 C +ATOM 13 CA SER A 13 277.707 236.221 288.179 1.00 0.00 C +ATOM 14 CA ARG A 14 276.257 233.716 290.657 1.00 0.00 C +ATOM 15 CA THR A 15 276.556 230.861 293.162 1.00 0.00 C +ATOM 16 CA ILE A 16 276.286 227.151 293.985 1.00 0.00 C +ATOM 17 CA THR A 17 278.570 224.793 292.050 1.00 0.00 C +ATOM 18 CA ILE A 18 276.947 221.930 290.130 1.00 0.00 C +ATOM 19 CA THR A 19 275.754 218.438 289.182 1.00 0.00 C +ATOM 20 CA GLY A 20 278.029 215.874 287.518 1.00 0.00 C +ATOM 21 CA THR A 21 277.322 212.182 286.901 1.00 0.00 C +ATOM 22 CA PRO A 22 274.630 210.037 285.266 1.00 0.00 C +ATOM 23 CA PRO A 23 273.278 211.591 282.061 1.00 0.00 C +ATOM 24 CA SER A 24 274.120 212.501 278.458 1.00 0.00 C +ATOM 25 CA GLU A 25 274.465 214.528 275.251 1.00 0.00 C +ATOM 26 CA ASP A 26 276.412 216.559 272.682 1.00 0.00 C +ATOM 27 CA GLN A 27 279.113 218.755 271.133 1.00 0.00 C +ATOM 28 CA GLY A 28 280.461 221.034 268.394 1.00 0.00 C +ATOM 29 CA SER A 29 280.068 221.693 264.662 1.00 0.00 C +ATOM 30 CA SER A 30 278.608 224.624 262.715 1.00 0.00 C +ATOM 31 CA ASN A 31 278.910 227.283 260.003 1.00 0.00 C +ATOM 32 CA ASP A 32 280.056 230.898 260.371 1.00 0.00 C +ATOM 33 CA PRO A 33 281.900 231.983 263.524 1.00 0.00 C +ATOM 34 CA ALA A 34 284.378 230.394 265.944 1.00 0.00 C +ATOM 35 CA ASN A 35 287.859 230.919 264.487 1.00 0.00 C +ATOM 36 CA SER A 36 288.577 234.304 262.892 1.00 0.00 C +ATOM 37 CA THR A 37 286.435 236.810 264.803 1.00 0.00 C +ATOM 38 CA THR A 38 287.328 238.117 268.269 1.00 0.00 C +ATOM 39 CA GLY A 39 284.107 238.556 270.255 1.00 0.00 C +ATOM 40 CA THR A 40 284.797 241.351 272.752 1.00 0.00 C +ATOM 41 CA LEU A 41 287.245 243.899 271.328 1.00 0.00 C +ATOM 42 CA LYS A 42 287.896 247.540 272.242 1.00 0.00 C +ATOM 43 CA LEU A 43 287.967 251.334 272.586 1.00 0.00 C +ATOM 44 CA ARG A 44 290.171 254.442 272.559 1.00 0.00 C +ATOM 45 CA ALA A 45 291.163 256.004 275.889 1.00 0.00 C +ATOM 46 CA SER A 46 291.905 257.683 279.227 1.00 0.00 C +ATOM 47 CA THR A 47 288.719 258.952 280.888 1.00 0.00 C +ATOM 48 CA ARG A 48 285.005 258.103 280.938 1.00 0.00 C +ATOM 49 CA LYS A 49 282.090 258.081 278.484 1.00 0.00 C +ATOM 50 CA PRO A 50 280.489 260.553 276.068 1.00 0.00 C +ATOM 51 CA ARG A 51 282.074 263.892 275.144 1.00 0.00 C +ATOM 52 CA GLN A 52 279.186 266.089 273.982 1.00 0.00 C +ATOM 53 CA LYS A 53 276.619 264.916 271.423 1.00 0.00 C +ATOM 54 CA VAL A 54 273.327 263.435 270.202 1.00 0.00 C +ATOM 55 CA ILE A 55 270.147 264.897 271.707 1.00 0.00 C +ATOM 56 CA TRP A 56 269.524 268.042 269.649 1.00 0.00 C +ATOM 57 CA ARG A 57 269.504 271.767 270.450 1.00 0.00 C +ATOM 58 CA GLU A 58 272.500 273.859 271.529 1.00 0.00 C +ATOM 59 CA ASP A 59 272.906 276.472 268.786 1.00 0.00 C +ATOM 60 CA VAL A 60 269.452 278.054 268.497 1.00 0.00 C +ATOM 61 CA VAL A 61 266.601 277.686 265.997 1.00 0.00 C +ATOM 62 CA ASP A 62 263.787 275.420 264.786 1.00 0.00 C +ATOM 63 CA ASN A 63 261.190 273.698 262.594 1.00 0.00 C +ATOM 64 CA GLU A 64 259.348 270.548 261.500 1.00 0.00 C +ATOM 65 CA GLY A 65 258.072 270.225 257.925 1.00 0.00 C +ATOM 66 CA ALA A 66 255.609 267.339 257.579 1.00 0.00 C +ATOM 67 CA GLY A 67 252.204 267.786 259.229 1.00 0.00 C +ATOM 68 CA LYS A 68 249.177 266.792 257.140 1.00 0.00 C +ATOM 69 CA LYS A 69 245.678 265.896 255.928 1.00 0.00 C +ATOM 70 CA SER A 70 244.345 263.530 253.256 1.00 0.00 C +ATOM 71 CA SER A 71 241.715 265.014 250.934 1.00 0.00 C +ATOM 72 CA LYS A 72 238.079 263.883 251.044 1.00 0.00 C +ATOM 73 CA ILE A 73 235.407 265.238 253.398 1.00 0.00 C +ATOM 74 CA CYS A 74 235.942 267.919 256.052 1.00 0.00 C +ATOM 75 CA CYS A 75 235.875 267.240 259.800 1.00 0.00 C +ATOM 76 CA ILE A 76 234.787 263.917 261.313 1.00 0.00 C +ATOM 77 CA TYR A 77 235.383 261.720 264.368 1.00 0.00 C +ATOM 78 CA HIS A 78 232.034 260.725 265.889 1.00 0.00 C +ATOM 79 CA LYS A 79 228.759 258.837 265.417 1.00 0.00 C +ATOM 80 CA PRO A 80 228.638 255.080 266.039 1.00 0.00 C +ATOM 81 CA LYS A 81 229.145 251.329 265.609 1.00 0.00 C +ATOM 82 CA ALA A 82 232.847 250.491 265.941 1.00 0.00 C +ATOM 83 CA PHE A 83 235.927 251.832 264.142 1.00 0.00 C +ATOM 84 CA ASP A 84 238.081 248.843 263.174 1.00 0.00 C +ATOM 85 CA GLU A 85 239.674 248.677 259.717 1.00 0.00 C +ATOM 86 CA SER A 86 240.541 247.225 256.303 1.00 0.00 C +ATOM 87 CA SER A 87 239.717 247.775 252.624 1.00 0.00 C +ATOM 88 CA ASP A 88 239.272 251.343 251.366 1.00 0.00 C +ATOM 89 CA GLU A 89 236.269 253.634 250.860 1.00 0.00 C +ATOM 90 CA ASP A 90 233.293 255.946 250.300 1.00 0.00 C +ATOM 91 CA ASP A 91 230.768 255.060 253.012 1.00 0.00 C +ATOM 92 CA SER A 92 226.973 254.730 253.096 1.00 0.00 C +ATOM 93 CA ASP A 93 224.270 257.019 251.691 1.00 0.00 C +ATOM 94 CA THR A 94 223.494 260.051 249.518 1.00 0.00 C +ATOM 95 CA GLU A 95 226.790 261.317 248.087 1.00 0.00 C +ATOM 96 CA SER A 96 229.916 263.319 247.230 1.00 0.00 C +ATOM 97 CA GLU A 97 233.506 264.241 246.346 1.00 0.00 C +ATOM 98 CA SER A 98 236.860 262.924 245.110 1.00 0.00 C +ATOM 99 CA SER A 99 238.523 262.093 241.784 1.00 0.00 C +ATOM 100 CA CYS A 100 237.256 258.736 240.502 1.00 0.00 C +ATOM 101 CA ASP A 101 235.478 257.733 237.285 1.00 0.00 C +ATOM 102 CA HIS A 102 231.883 257.496 236.044 1.00 0.00 C +ATOM 103 CA ASN A 103 228.407 258.407 234.779 1.00 0.00 C +ATOM 104 CA HIS A 104 224.749 258.323 235.842 1.00 0.00 C +ATOM 105 CA ALA A 105 221.409 257.732 234.107 1.00 0.00 C +ATOM 106 CA SER A 106 220.816 260.347 231.401 1.00 0.00 C +ATOM 107 CA HIS A 107 222.719 262.288 228.731 1.00 0.00 C +ATOM 108 CA ARG A 108 223.117 260.976 225.176 1.00 0.00 C +ATOM 109 CA HIS A 109 224.693 257.609 224.343 1.00 0.00 C +ATOM 110 CA SER A 110 225.957 254.256 223.050 1.00 0.00 C +ATOM 111 CA HIS A 111 228.702 254.149 220.410 1.00 0.00 C +ATOM 112 CA ILE A 112 232.116 253.714 222.044 1.00 0.00 C +ATOM 113 CA SER A 113 233.198 250.061 222.020 1.00 0.00 C +ATOM 114 CA ALA A 114 230.750 247.142 221.996 1.00 0.00 C +ATOM 115 CA GLY A 115 229.215 246.712 218.536 1.00 0.00 C +ATOM 116 CA GLU A 116 230.162 244.673 215.459 1.00 0.00 C +ATOM 117 CA ARG A 117 227.608 241.849 215.312 1.00 0.00 C +ATOM 118 CA GLY A 118 227.470 238.734 213.122 1.00 0.00 C +ATOM 119 CA LEU A 119 228.795 235.200 212.601 1.00 0.00 C +ATOM 120 CA GLY A 120 232.167 234.687 214.298 1.00 0.00 C +ATOM 121 CA LEU A 121 234.097 231.494 215.072 1.00 0.00 C +ATOM 122 CA ASP A 122 237.811 232.323 215.269 1.00 0.00 C +ATOM 123 CA SER A 123 239.466 233.964 212.255 1.00 0.00 C +ATOM 124 CA SER A 124 241.133 237.374 211.916 1.00 0.00 C +ATOM 125 CA ASP A 125 242.023 241.074 211.739 1.00 0.00 C +ATOM 126 CA SER A 126 241.452 243.676 214.462 1.00 0.00 C +ATOM 127 CA GLY A 127 239.480 246.906 214.021 1.00 0.00 C +ATOM 128 CA PRO A 128 240.327 248.944 217.126 1.00 0.00 C +ATOM 129 CA SER A 129 238.053 251.799 218.220 1.00 0.00 C +ATOM 130 CA ILE A 130 235.083 252.967 216.138 1.00 0.00 C +ATOM 131 CA GLN A 131 232.751 255.971 216.371 1.00 0.00 C +ATOM 132 CA HIS A 132 231.547 259.226 214.800 1.00 0.00 C +ATOM 133 CA ILE A 133 229.958 262.365 213.338 1.00 0.00 C +ATOM 134 CA GLU A 134 226.984 264.292 211.937 1.00 0.00 C +ATOM 135 CA HIS A 135 224.481 265.891 214.323 1.00 0.00 C +ATOM 136 CA ALA A 136 223.249 266.984 217.758 1.00 0.00 C +ATOM 137 CA ASP A 137 221.287 264.059 219.212 1.00 0.00 C +ATOM 138 CA SER A 138 218.426 261.972 217.807 1.00 0.00 C +ATOM 139 CA PRO A 139 216.004 260.645 220.433 1.00 0.00 C +ATOM 140 CA ASN A 140 212.579 262.057 221.321 1.00 0.00 C +ATOM 141 CA ASN A 141 209.255 263.914 221.183 1.00 0.00 C +ATOM 142 CA ALA A 142 208.771 265.399 217.708 1.00 0.00 C +ATOM 143 CA TYR A 143 207.468 264.591 214.220 1.00 0.00 C +ATOM 144 CA GLU A 144 209.420 266.448 211.527 1.00 0.00 C +ATOM 145 CA ILE A 145 210.110 267.568 207.951 1.00 0.00 C +ATOM 146 CA GLY A 146 209.000 266.305 204.532 1.00 0.00 C +ATOM 147 CA ALA A 147 208.040 268.556 201.612 1.00 0.00 C +ATOM 148 CA PHE A 148 206.945 270.532 198.544 1.00 0.00 C +ATOM 149 CA ILE A 149 206.438 270.116 194.791 1.00 0.00 C +ATOM 150 CA GLU A 150 206.255 266.392 194.008 1.00 0.00 C +ATOM 151 CA GLU A 151 207.710 262.918 194.582 1.00 0.00 C +ATOM 152 CA ARG A 152 205.677 260.079 196.106 1.00 0.00 C +ATOM 153 CA GLN A 153 203.799 257.602 193.903 1.00 0.00 C +ATOM 154 CA ALA A 154 200.252 256.979 192.660 1.00 0.00 C +TER 155 ALA A 154 +END diff --git a/Fungi/A0A6A5JXS2/A0A6A5JXS2.dcd b/Fungi/A0A6A5JXS2/A0A6A5JXS2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..bdb7547b2d24ffcf6d229d53e1a3e1d46310ff47 --- /dev/null +++ b/Fungi/A0A6A5JXS2/A0A6A5JXS2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a9525b1958b69ac3f5cb3a1e52fb875b444d3c2f0475461cacdaf80c9bfc5a6f +size 41160276 diff --git a/Fungi/A0A6A5JXS2/top.pdb b/Fungi/A0A6A5JXS2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4580aeee1990ee3a16fe340669fe34df4e05947b --- /dev/null +++ b/Fungi/A0A6A5JXS2/top.pdb @@ -0,0 +1,226 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 246.044 311.423 197.966 1.00 0.00 C +ATOM 2 CA ALA A 2 246.977 308.083 196.387 1.00 0.00 C +ATOM 3 CA LYS A 3 245.453 306.040 193.556 1.00 0.00 C +ATOM 4 CA HIS A 4 244.308 303.385 191.075 1.00 0.00 C +ATOM 5 CA GLY A 5 244.986 299.637 190.977 1.00 0.00 C +ATOM 6 CA ALA A 6 242.523 298.046 193.411 1.00 0.00 C +ATOM 7 CA CYS A 7 243.402 297.158 197.010 1.00 0.00 C +ATOM 8 CA TYR A 8 244.539 300.050 199.213 1.00 0.00 C +ATOM 9 CA THR A 9 246.097 302.096 202.025 1.00 0.00 C +ATOM 10 CA GLU A 10 246.010 301.508 205.788 1.00 0.00 C +ATOM 11 CA PRO A 11 244.852 299.736 208.956 1.00 0.00 C +ATOM 12 CA GLN A 12 246.324 299.884 212.468 1.00 0.00 C +ATOM 13 CA ASN A 13 247.418 300.996 215.944 1.00 0.00 C +ATOM 14 CA ASP A 14 247.385 297.918 218.189 1.00 0.00 C +ATOM 15 CA GLY A 15 245.327 295.401 220.175 1.00 0.00 C +ATOM 16 CA PHE A 16 246.193 293.670 223.457 1.00 0.00 C +ATOM 17 CA HIS A 17 248.265 294.503 226.544 1.00 0.00 C +ATOM 18 CA ALA A 18 251.279 292.197 226.889 1.00 0.00 C +ATOM 19 CA SER A 19 253.551 289.139 226.877 1.00 0.00 C +ATOM 20 CA ASN A 20 252.439 285.519 226.455 1.00 0.00 C +ATOM 21 CA ALA A 21 252.986 281.890 225.430 1.00 0.00 C +ATOM 22 CA ARG A 22 253.438 278.303 226.631 1.00 0.00 C +ATOM 23 CA GLY A 23 249.927 277.213 227.630 1.00 0.00 C +ATOM 24 CA PRO A 24 248.323 273.868 228.499 1.00 0.00 C +ATOM 25 CA HIS A 25 245.357 273.274 230.815 1.00 0.00 C +ATOM 26 CA VAL A 26 241.886 272.856 232.329 1.00 0.00 C +ATOM 27 CA ASP A 27 239.768 275.904 231.466 1.00 0.00 C +ATOM 28 CA GLN A 28 236.006 276.040 232.053 1.00 0.00 C +ATOM 29 CA ARG A 29 232.695 277.660 233.017 1.00 0.00 C +ATOM 30 CA ASN A 30 229.706 275.502 233.980 1.00 0.00 C +ATOM 31 CA THR A 31 228.206 272.839 236.254 1.00 0.00 C +ATOM 32 CA TYR A 32 227.389 273.791 239.852 1.00 0.00 C +ATOM 33 CA LYS A 33 226.930 271.430 242.806 1.00 0.00 C +ATOM 34 CA VAL A 34 228.692 268.104 242.215 1.00 0.00 C +ATOM 35 CA THR A 35 231.766 268.074 244.465 1.00 0.00 C +ATOM 36 CA SER A 36 234.170 266.217 246.765 1.00 0.00 C +ATOM 37 CA SER A 37 236.468 263.518 245.368 1.00 0.00 C +ATOM 38 CA SER A 38 236.544 260.646 247.870 1.00 0.00 C +ATOM 39 CA LYS A 39 238.184 259.994 251.246 1.00 0.00 C +ATOM 40 CA ASN A 40 239.433 256.404 251.508 1.00 0.00 C +ATOM 41 CA ASN A 41 241.927 254.544 249.308 1.00 0.00 C +ATOM 42 CA LYS A 42 245.581 255.387 248.631 1.00 0.00 C +ATOM 43 CA PRO A 43 246.487 259.086 248.559 1.00 0.00 C +ATOM 44 CA ASN A 44 245.229 260.789 251.727 1.00 0.00 C +ATOM 45 CA SER A 45 246.408 264.289 252.663 1.00 0.00 C +ATOM 46 CA PHE A 46 247.215 267.901 253.566 1.00 0.00 C +ATOM 47 CA LYS A 47 247.924 271.644 253.493 1.00 0.00 C +ATOM 48 CA THR A 48 244.875 273.503 252.166 1.00 0.00 C +ATOM 49 CA THR A 49 244.059 277.193 252.649 1.00 0.00 C +ATOM 50 CA HIS A 50 246.191 279.444 254.863 1.00 0.00 C +ATOM 51 CA TYR A 51 248.132 281.964 252.766 1.00 0.00 C +ATOM 52 CA GLY A 52 247.982 285.723 252.165 1.00 0.00 C +ATOM 53 CA LYS A 53 246.200 287.284 249.180 1.00 0.00 C +ATOM 54 CA ALA A 54 248.424 286.877 246.114 1.00 0.00 C +ATOM 55 CA MET A 55 249.222 287.291 242.412 1.00 0.00 C +ATOM 56 CA SER A 56 251.159 287.754 239.164 1.00 0.00 C +ATOM 57 CA TYR A 57 250.939 290.738 236.805 1.00 0.00 C +ATOM 58 CA PRO A 58 252.029 290.329 233.178 1.00 0.00 C +ATOM 59 CA SER A 59 255.313 288.409 232.957 1.00 0.00 C +ATOM 60 CA ASN A 60 257.151 285.078 233.160 1.00 0.00 C +ATOM 61 CA ASN A 61 257.655 284.319 236.860 1.00 0.00 C +ATOM 62 CA THR A 62 258.015 287.577 238.803 1.00 0.00 C +ATOM 63 CA LEU A 63 259.970 290.838 239.041 1.00 0.00 C +ATOM 64 CA SER A 64 263.057 292.809 237.992 1.00 0.00 C +ATOM 65 CA LEU A 65 264.641 295.966 239.420 1.00 0.00 C +ATOM 66 CA SER A 66 265.417 295.239 243.079 1.00 0.00 C +ATOM 67 CA PRO A 67 266.029 294.870 246.822 1.00 0.00 C +ATOM 68 CA ARG A 68 269.306 295.553 248.641 1.00 0.00 C +ATOM 69 CA PRO A 69 272.994 294.892 247.948 1.00 0.00 C +ATOM 70 CA SER A 70 273.663 293.046 244.682 1.00 0.00 C +ATOM 71 CA PRO A 71 271.569 292.229 241.606 1.00 0.00 C +ATOM 72 CA SER A 72 270.109 290.727 238.424 1.00 0.00 C +ATOM 73 CA PRO A 73 268.287 287.656 237.094 1.00 0.00 C +ATOM 74 CA ASP A 74 266.529 287.299 233.733 1.00 0.00 C +ATOM 75 CA SER A 75 267.203 285.131 230.674 1.00 0.00 C +ATOM 76 CA SER A 76 264.534 282.414 230.793 1.00 0.00 C +ATOM 77 CA PRO A 77 265.905 279.000 229.803 1.00 0.00 C +ATOM 78 CA PRO A 78 268.456 276.357 230.815 1.00 0.00 C +ATOM 79 CA SER A 79 267.231 272.880 229.853 1.00 0.00 C +ATOM 80 CA SER A 80 269.577 269.914 230.321 1.00 0.00 C +ATOM 81 CA ILE A 81 271.497 267.867 227.745 1.00 0.00 C +ATOM 82 CA SER A 82 274.588 265.778 228.517 1.00 0.00 C +ATOM 83 CA ASP A 83 277.929 267.591 228.266 1.00 0.00 C +ATOM 84 CA TYR A 84 281.442 268.671 229.271 1.00 0.00 C +ATOM 85 CA ALA A 85 285.071 269.714 229.778 1.00 0.00 C +ATOM 86 CA GLY A 86 286.423 268.138 232.973 1.00 0.00 C +ATOM 87 CA PRO A 87 285.011 264.696 233.792 1.00 0.00 C +ATOM 88 CA ASN A 88 283.492 262.507 236.516 1.00 0.00 C +ATOM 89 CA PHE A 89 284.846 259.846 238.883 1.00 0.00 C +ATOM 90 CA SER A 90 283.142 257.288 241.134 1.00 0.00 C +ATOM 91 CA PHE A 91 282.239 255.029 244.066 1.00 0.00 C +ATOM 92 CA THR A 92 284.674 252.099 244.104 1.00 0.00 C +ATOM 93 CA LEU A 93 285.522 248.633 242.771 1.00 0.00 C +ATOM 94 CA LEU A 94 285.477 244.829 242.991 1.00 0.00 C +ATOM 95 CA PRO A 95 282.679 243.437 240.812 1.00 0.00 C +ATOM 96 CA ASP A 96 279.547 241.582 239.685 1.00 0.00 C +ATOM 97 CA GLN A 97 279.344 238.252 241.525 1.00 0.00 C +ATOM 98 CA LEU A 98 276.687 235.627 242.273 1.00 0.00 C +ATOM 99 CA SER A 99 274.759 233.495 244.774 1.00 0.00 C +ATOM 100 CA LYS A 100 275.488 231.401 247.872 1.00 0.00 C +ATOM 101 CA SER A 101 273.216 232.020 250.868 1.00 0.00 C +ATOM 102 CA PRO A 102 269.406 231.989 250.825 1.00 0.00 C +ATOM 103 CA SER A 103 267.701 228.981 249.225 1.00 0.00 C +ATOM 104 CA PRO A 104 265.313 229.685 246.341 1.00 0.00 C +ATOM 105 CA SER A 105 263.972 227.253 243.732 1.00 0.00 C +ATOM 106 CA PRO A 106 260.935 228.334 241.701 1.00 0.00 C +ATOM 107 CA PRO A 107 261.895 230.925 239.078 1.00 0.00 C +ATOM 108 CA PRO A 108 260.179 230.067 235.786 1.00 0.00 C +ATOM 109 CA PRO A 109 256.601 230.731 234.657 1.00 0.00 C +ATOM 110 CA PRO A 110 254.690 227.438 234.514 1.00 0.00 C +ATOM 111 CA GLY A 111 251.174 225.979 234.377 1.00 0.00 C +ATOM 112 CA PRO A 112 251.227 222.598 236.133 1.00 0.00 C +ATOM 113 CA ASN A 113 254.181 222.583 238.538 1.00 0.00 C +ATOM 114 CA SER A 114 256.608 220.945 240.976 1.00 0.00 C +ATOM 115 CA PRO A 115 259.467 222.022 243.252 1.00 0.00 C +ATOM 116 CA ASN A 116 262.433 220.672 245.227 1.00 0.00 C +ATOM 117 CA THR A 117 265.826 221.437 246.782 1.00 0.00 C +ATOM 118 CA ARG A 118 269.220 222.746 247.915 1.00 0.00 C +ATOM 119 CA ALA A 119 272.360 224.787 247.211 1.00 0.00 C +ATOM 120 CA ILE A 120 276.138 224.296 247.214 1.00 0.00 C +ATOM 121 CA GLN A 121 277.315 223.765 250.798 1.00 0.00 C +ATOM 122 CA LEU A 122 275.502 220.640 252.007 1.00 0.00 C +ATOM 123 CA LEU A 123 273.407 220.048 255.133 1.00 0.00 C +ATOM 124 CA ASP A 124 270.777 220.218 257.886 1.00 0.00 C +ATOM 125 CA PRO A 125 270.343 219.680 261.632 1.00 0.00 C +ATOM 126 CA ARG A 126 267.534 220.904 263.897 1.00 0.00 C +ATOM 127 CA PRO A 127 267.143 218.762 267.023 1.00 0.00 C +ATOM 128 CA PRO A 128 266.398 218.423 270.744 1.00 0.00 C +ATOM 129 CA PRO A 129 263.150 218.722 272.713 1.00 0.00 C +ATOM 130 CA PRO A 130 262.163 216.747 275.818 1.00 0.00 C +ATOM 131 CA PRO A 131 258.425 216.399 276.469 1.00 0.00 C +ATOM 132 CA SER A 132 255.141 214.655 277.300 1.00 0.00 C +ATOM 133 CA PRO A 133 252.933 214.268 280.380 1.00 0.00 C +ATOM 134 CA PRO A 134 250.003 212.036 279.406 1.00 0.00 C +ATOM 135 CA PRO A 135 248.921 208.891 281.264 1.00 0.00 C +ATOM 136 CA PRO A 136 250.453 208.093 284.660 1.00 0.00 C +ATOM 137 CA SER A 137 249.689 210.274 287.689 1.00 0.00 C +ATOM 138 CA PRO A 138 245.904 210.486 288.071 1.00 0.00 C +ATOM 139 CA LYS A 139 244.002 211.685 291.147 1.00 0.00 C +ATOM 140 CA ARG A 140 243.757 215.315 292.279 1.00 0.00 C +ATOM 141 CA HIS A 141 242.623 218.520 290.559 1.00 0.00 C +ATOM 142 CA GLY A 142 244.698 221.708 290.773 1.00 0.00 C +ATOM 143 CA GLY A 143 243.008 224.349 288.609 1.00 0.00 C +ATOM 144 CA ALA A 144 239.985 224.194 286.295 1.00 0.00 C +ATOM 145 CA PRO A 145 237.774 224.558 283.214 1.00 0.00 C +ATOM 146 CA TYR A 146 234.290 224.067 281.751 1.00 0.00 C +ATOM 147 CA PRO A 147 232.424 226.211 279.214 1.00 0.00 C +ATOM 148 CA PRO A 148 232.214 229.851 278.108 1.00 0.00 C +ATOM 149 CA PRO A 149 232.750 231.853 274.911 1.00 0.00 C +ATOM 150 CA PRO A 150 233.604 235.380 273.752 1.00 0.00 C +ATOM 151 CA ARG A 151 233.010 239.066 272.989 1.00 0.00 C +ATOM 152 CA PRO A 152 233.133 242.334 274.943 1.00 0.00 C +ATOM 153 CA PRO A 153 236.059 244.737 275.373 1.00 0.00 C +ATOM 154 CA PRO A 154 239.804 244.336 274.804 1.00 0.00 C +ATOM 155 CA PRO A 155 242.405 246.022 272.589 1.00 0.00 C +ATOM 156 CA PRO A 156 244.492 245.736 269.414 1.00 0.00 C +ATOM 157 CA SER A 157 243.363 244.862 265.881 1.00 0.00 C +ATOM 158 CA LYS A 158 242.187 243.007 262.768 1.00 0.00 C +ATOM 159 CA ARG A 159 244.437 242.086 259.835 1.00 0.00 C +ATOM 160 CA HIS A 160 246.057 242.346 256.396 1.00 0.00 C +ATOM 161 CA GLY A 161 247.805 244.001 253.443 1.00 0.00 C +ATOM 162 CA GLY A 162 245.631 245.672 250.798 1.00 0.00 C +ATOM 163 CA THR A 163 242.015 246.749 250.261 1.00 0.00 C +ATOM 164 CA PRO A 164 240.239 243.968 248.356 1.00 0.00 C +ATOM 165 CA SER A 165 240.412 240.314 247.289 1.00 0.00 C +ATOM 166 CA PRO A 166 239.249 237.269 245.317 1.00 0.00 C +ATOM 167 CA PRO A 167 241.507 236.003 242.521 1.00 0.00 C +ATOM 168 CA PRO A 168 239.697 232.943 241.152 1.00 0.00 C +ATOM 169 CA PRO A 169 238.501 233.881 237.658 1.00 0.00 C +ATOM 170 CA ARG A 170 239.423 231.805 234.599 1.00 0.00 C +ATOM 171 CA PRO A 171 240.097 228.286 233.305 1.00 0.00 C +ATOM 172 CA PRO A 172 241.260 225.346 235.432 1.00 0.00 C +ATOM 173 CA PRO A 173 242.595 221.879 236.274 1.00 0.00 C +ATOM 174 CA PRO A 174 244.478 222.130 239.577 1.00 0.00 C +ATOM 175 CA SER A 175 247.198 224.642 240.472 1.00 0.00 C +ATOM 176 CA PRO A 176 247.354 224.849 244.274 1.00 0.00 C +ATOM 177 CA LYS A 177 244.971 224.904 247.246 1.00 0.00 C +ATOM 178 CA ARG A 178 241.327 224.729 246.148 1.00 0.00 C +ATOM 179 CA HIS A 179 238.297 223.642 244.110 1.00 0.00 C +ATOM 180 CA GLY A 180 236.158 222.330 241.243 1.00 0.00 C +ATOM 181 CA GLY A 181 232.595 220.980 241.303 1.00 0.00 C +ATOM 182 CA ALA A 182 231.658 218.216 243.752 1.00 0.00 C +ATOM 183 CA PRO A 183 230.701 215.668 246.418 1.00 0.00 C +ATOM 184 CA TYR A 184 228.036 214.207 248.716 1.00 0.00 C +ATOM 185 CA PRO A 185 224.241 214.436 248.462 1.00 0.00 C +ATOM 186 CA PRO A 186 222.652 210.978 248.660 1.00 0.00 C +ATOM 187 CA PRO A 187 223.907 207.435 249.281 1.00 0.00 C +ATOM 188 CA PRO A 188 226.278 204.649 250.345 1.00 0.00 C +ATOM 189 CA ARG A 189 227.647 205.371 253.827 1.00 0.00 C +ATOM 190 CA PRO A 190 226.427 208.457 255.699 1.00 0.00 C +ATOM 191 CA PRO A 191 224.867 211.829 256.545 1.00 0.00 C +ATOM 192 CA PRO A 192 226.178 214.628 258.771 1.00 0.00 C +ATOM 193 CA PRO A 193 229.485 216.252 259.744 1.00 0.00 C +ATOM 194 CA SER A 194 230.645 218.126 256.637 1.00 0.00 C +ATOM 195 CA SER A 195 233.394 220.747 256.935 1.00 0.00 C +ATOM 196 CA LYS A 196 233.955 224.010 258.820 1.00 0.00 C +ATOM 197 CA ARG A 197 230.868 224.736 260.932 1.00 0.00 C +ATOM 198 CA CYS A 198 231.070 227.236 263.800 1.00 0.00 C +ATOM 199 CA GLY A 199 229.474 229.587 266.338 1.00 0.00 C +ATOM 200 CA GLY A 200 229.318 232.076 269.219 1.00 0.00 C +ATOM 201 CA THR A 201 227.402 233.455 272.209 1.00 0.00 C +ATOM 202 CA GLU A 202 224.732 235.929 273.334 1.00 0.00 C +ATOM 203 CA SER A 203 222.346 235.953 276.304 1.00 0.00 C +ATOM 204 CA PRO A 204 223.603 236.615 279.839 1.00 0.00 C +ATOM 205 CA PRO A 205 227.391 236.467 280.219 1.00 0.00 C +ATOM 206 CA PRO A 206 229.155 237.505 283.432 1.00 0.00 C +ATOM 207 CA PRO A 207 231.806 234.908 284.297 1.00 0.00 C +ATOM 208 CA THR A 208 232.119 232.565 287.285 1.00 0.00 C +ATOM 209 CA VAL A 209 232.391 228.768 287.112 1.00 0.00 C +ATOM 210 CA PRO A 210 233.566 227.058 290.308 1.00 0.00 C +ATOM 211 CA PRO A 211 235.350 229.504 292.620 1.00 0.00 C +ATOM 212 CA PRO A 212 236.435 233.089 291.923 1.00 0.00 C +ATOM 213 CA SER A 213 239.964 233.623 293.256 1.00 0.00 C +ATOM 214 CA PRO A 214 242.770 236.191 293.472 1.00 0.00 C +ATOM 215 CA LYS A 215 245.998 236.603 295.454 1.00 0.00 C +ATOM 216 CA ARG A 216 248.866 238.229 293.544 1.00 0.00 C +ATOM 217 CA TYR A 217 248.573 241.380 291.422 1.00 0.00 C +ATOM 218 CA ALA A 218 250.873 244.415 291.552 1.00 0.00 C +ATOM 219 CA VAL A 219 252.225 246.128 294.675 1.00 0.00 C +ATOM 220 CA ALA A 220 255.531 246.995 296.358 1.00 0.00 C +ATOM 221 CA CYS A 221 259.134 247.626 295.293 1.00 0.00 C +ATOM 222 CA ALA A 222 260.649 250.965 296.326 1.00 0.00 C +TER 223 ALA A 222 +END diff --git a/Fungi/A0A6A5RE58/A0A6A5RE58.dcd b/Fungi/A0A6A5RE58/A0A6A5RE58.dcd new file mode 100644 index 0000000000000000000000000000000000000000..aeed60ba53e61e72fd562e6f829c452555f24a82 --- /dev/null +++ b/Fungi/A0A6A5RE58/A0A6A5RE58.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:efc73a5b61eb69131d00967b0903ea1dd559d994618de4567563123959f1897a +size 20480276 diff --git a/Fungi/A0A6A5RE58/top.pdb b/Fungi/A0A6A5RE58/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..09114f34a8b2e7f3ba0b95e9147f751fa664667e --- /dev/null +++ b/Fungi/A0A6A5RE58/top.pdb @@ -0,0 +1,168 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 259.895 204.947 240.243 1.00 0.00 C +ATOM 2 CA TYR A 2 259.917 205.848 236.541 1.00 0.00 C +ATOM 3 CA GLY A 3 262.906 208.103 235.840 1.00 0.00 C +ATOM 4 CA ARG A 4 266.246 208.517 234.054 1.00 0.00 C +ATOM 5 CA GLY A 5 269.605 210.130 234.854 1.00 0.00 C +ATOM 6 CA GLY A 6 272.880 209.005 233.265 1.00 0.00 C +ATOM 7 CA ALA A 7 275.114 211.350 231.258 1.00 0.00 C +ATOM 8 CA GLY A 8 273.888 214.893 231.940 1.00 0.00 C +ATOM 9 CA ASN A 9 276.152 217.833 231.076 1.00 0.00 C +ATOM 10 CA ILE A 10 277.238 221.237 232.400 1.00 0.00 C +ATOM 11 CA ALA A 11 279.069 222.778 235.364 1.00 0.00 C +ATOM 12 CA GLN A 12 278.075 220.857 238.500 1.00 0.00 C +ATOM 13 CA ALA A 13 274.826 218.874 238.333 1.00 0.00 C +ATOM 14 CA ALA A 14 272.472 219.260 241.304 1.00 0.00 C +ATOM 15 CA ALA A 15 269.765 221.272 243.077 1.00 0.00 C +ATOM 16 CA SER A 16 266.568 219.268 243.606 1.00 0.00 C +ATOM 17 CA SER A 17 265.729 217.162 246.668 1.00 0.00 C +ATOM 18 CA LYS A 18 266.623 213.514 247.303 1.00 0.00 C +ATOM 19 CA LYS A 19 269.818 212.931 245.312 1.00 0.00 C +ATOM 20 CA ALA A 20 272.531 211.665 247.669 1.00 0.00 C +ATOM 21 CA ALA A 21 275.916 209.920 247.756 1.00 0.00 C +ATOM 22 CA GLU A 22 279.321 208.893 249.124 1.00 0.00 C +ATOM 23 CA ASP A 23 279.655 207.456 252.637 1.00 0.00 C +ATOM 24 CA ILE A 24 277.277 208.050 255.554 1.00 0.00 C +ATOM 25 CA GLU A 25 273.783 207.471 254.150 1.00 0.00 C +ATOM 26 CA ALA A 26 270.461 205.989 253.015 1.00 0.00 C +ATOM 27 CA ALA A 27 267.111 207.045 251.540 1.00 0.00 C +ATOM 28 CA ASN A 28 264.171 207.049 249.116 1.00 0.00 C +ATOM 29 CA PRO A 29 260.921 208.174 250.755 1.00 0.00 C +ATOM 30 CA PRO A 30 257.370 206.999 250.029 1.00 0.00 C +ATOM 31 CA SER A 31 254.312 208.023 252.057 1.00 0.00 C +ATOM 32 CA THR A 32 252.488 210.038 254.728 1.00 0.00 C +ATOM 33 CA THR A 33 254.466 209.531 257.944 1.00 0.00 C +ATOM 34 CA PRO A 34 253.837 207.309 260.974 1.00 0.00 C +ATOM 35 CA SER A 35 251.786 206.621 264.110 1.00 0.00 C +ATOM 36 CA ALA A 36 250.368 203.193 264.979 1.00 0.00 C +ATOM 37 CA PRO A 37 246.818 201.850 264.642 1.00 0.00 C +ATOM 38 CA SER A 38 244.358 203.461 262.219 1.00 0.00 C +ATOM 39 CA GLN A 39 244.983 205.350 258.970 1.00 0.00 C +ATOM 40 CA THR A 40 245.630 208.129 256.446 1.00 0.00 C +ATOM 41 CA SER A 41 244.238 210.908 254.242 1.00 0.00 C +ATOM 42 CA SER A 42 244.352 214.622 253.400 1.00 0.00 C +ATOM 43 CA THR A 43 244.136 218.220 252.166 1.00 0.00 C +ATOM 44 CA ALA A 44 245.774 220.773 249.860 1.00 0.00 C +ATOM 45 CA ALA A 45 244.097 220.192 246.489 1.00 0.00 C +ATOM 46 CA GLN A 46 243.192 217.477 243.974 1.00 0.00 C +ATOM 47 CA ASP A 47 243.475 215.124 240.990 1.00 0.00 C +ATOM 48 CA TYR A 48 246.105 215.653 238.285 1.00 0.00 C +ATOM 49 CA ALA A 49 249.350 217.609 238.678 1.00 0.00 C +ATOM 50 CA HIS A 50 251.468 217.538 241.844 1.00 0.00 C +ATOM 51 CA MET A 51 254.618 215.412 241.568 1.00 0.00 C +ATOM 52 CA GLY A 52 256.555 212.378 242.816 1.00 0.00 C +ATOM 53 CA ARG A 53 258.945 212.619 245.774 1.00 0.00 C +ATOM 54 CA GLY A 54 259.544 213.860 249.326 1.00 0.00 C +ATOM 55 CA GLY A 55 260.210 217.536 250.071 1.00 0.00 C +ATOM 56 CA ALA A 56 259.327 220.778 248.275 1.00 0.00 C +ATOM 57 CA GLY A 57 255.595 221.440 248.661 1.00 0.00 C +ATOM 58 CA ASN A 58 255.366 224.453 250.982 1.00 0.00 C +ATOM 59 CA TRP A 59 253.629 225.914 254.042 1.00 0.00 C +ATOM 60 CA PHE A 60 250.563 228.154 253.721 1.00 0.00 C +ATOM 61 CA GLN A 61 247.282 226.323 253.090 1.00 0.00 C +ATOM 62 CA PRO A 62 245.423 224.637 255.956 1.00 0.00 C +ATOM 63 CA LYS A 63 245.821 222.977 259.363 1.00 0.00 C +ATOM 64 CA ALA A 64 245.926 224.107 263.000 1.00 0.00 C +ATOM 65 CA LEU A 65 243.763 222.689 265.797 1.00 0.00 C +ATOM 66 CA GLN A 66 242.028 224.491 268.671 1.00 0.00 C +ATOM 67 CA ALA A 67 238.540 225.725 269.584 1.00 0.00 C +ATOM 68 CA GLU A 68 236.657 223.595 272.120 1.00 0.00 C +ATOM 69 CA GLY A 69 237.754 220.995 274.680 1.00 0.00 C +ATOM 70 CA THR A 70 239.227 219.219 277.712 1.00 0.00 C +ATOM 71 CA PHE A 71 238.009 219.095 281.320 1.00 0.00 C +ATOM 72 CA SER A 72 241.005 220.119 283.439 1.00 0.00 C +ATOM 73 CA GLN A 73 240.016 223.212 285.432 1.00 0.00 C +ATOM 74 CA GLN A 74 238.940 225.882 282.937 1.00 0.00 C +ATOM 75 CA THR A 75 240.237 227.260 279.631 1.00 0.00 C +ATOM 76 CA ALA A 76 242.808 230.056 279.926 1.00 0.00 C +ATOM 77 CA ALA A 77 244.653 231.872 282.722 1.00 0.00 C +ATOM 78 CA GLU A 78 247.122 232.827 285.462 1.00 0.00 C +ATOM 79 CA ALA A 79 250.664 232.706 284.064 1.00 0.00 C +ATOM 80 CA THR A 80 250.957 234.831 280.915 1.00 0.00 C +ATOM 81 CA ALA A 81 249.332 238.267 281.174 1.00 0.00 C +ATOM 82 CA GLN A 82 248.578 241.315 279.017 1.00 0.00 C +ATOM 83 CA PRO A 83 250.695 244.445 279.503 1.00 0.00 C +ATOM 84 CA THR A 84 250.768 248.115 278.480 1.00 0.00 C +ATOM 85 CA SER A 85 250.454 251.130 276.172 1.00 0.00 C +ATOM 86 CA ALA A 86 250.053 251.565 272.409 1.00 0.00 C +ATOM 87 CA SER A 87 246.733 251.460 270.543 1.00 0.00 C +ATOM 88 CA PRO A 88 245.577 252.712 267.135 1.00 0.00 C +ATOM 89 CA ASN A 89 241.910 251.875 266.528 1.00 0.00 C +ATOM 90 CA VAL A 90 238.806 254.082 266.441 1.00 0.00 C +ATOM 91 CA SER A 91 240.049 257.555 265.487 1.00 0.00 C +ATOM 92 CA LYS A 92 240.375 259.388 262.163 1.00 0.00 C +ATOM 93 CA PRO A 93 241.599 261.775 259.458 1.00 0.00 C +ATOM 94 CA TRP A 94 243.379 264.872 258.132 1.00 0.00 C +ATOM 95 CA THR A 95 246.628 266.310 259.506 1.00 0.00 C +ATOM 96 CA PRO A 96 248.901 269.191 258.480 1.00 0.00 C +ATOM 97 CA GLU A 97 249.005 272.210 256.159 1.00 0.00 C +ATOM 98 CA GLY A 98 250.271 275.803 256.226 1.00 0.00 C +ATOM 99 CA GLN A 99 252.074 277.529 259.104 1.00 0.00 C +ATOM 100 CA GLU A 100 251.632 276.141 262.625 1.00 0.00 C +ATOM 101 CA LEU A 101 248.617 276.783 264.864 1.00 0.00 C +ATOM 102 CA PRO A 102 247.340 280.203 263.772 1.00 0.00 C +ATOM 103 CA VAL A 103 249.920 282.947 264.345 1.00 0.00 C +ATOM 104 CA ALA A 104 248.851 286.576 264.795 1.00 0.00 C +ATOM 105 CA ARG A 105 250.419 288.467 261.883 1.00 0.00 C +ATOM 106 CA GLN A 106 248.222 291.272 260.533 1.00 0.00 C +ATOM 107 CA GLY A 107 249.180 294.473 258.703 1.00 0.00 C +ATOM 108 CA ARG A 108 251.526 297.451 258.328 1.00 0.00 C +ATOM 109 CA GLY A 109 254.982 296.357 259.501 1.00 0.00 C +ATOM 110 CA GLY A 110 257.526 293.955 257.993 1.00 0.00 C +ATOM 111 CA ALA A 111 260.025 295.699 255.707 1.00 0.00 C +ATOM 112 CA GLY A 112 260.670 295.184 251.987 1.00 0.00 C +ATOM 113 CA ASN A 113 259.721 292.098 249.965 1.00 0.00 C +ATOM 114 CA MET A 114 258.353 291.830 246.419 1.00 0.00 C +ATOM 115 CA VAL A 115 255.303 293.991 245.679 1.00 0.00 C +ATOM 116 CA TRP A 116 253.314 297.101 246.622 1.00 0.00 C +ATOM 117 CA LYS A 117 254.097 300.767 245.944 1.00 0.00 C +ATOM 118 CA SER A 118 257.512 302.198 246.845 1.00 0.00 C +ATOM 119 CA GLU A 119 260.909 301.207 245.434 1.00 0.00 C +ATOM 120 CA GLU A 120 262.396 298.640 243.044 1.00 0.00 C +ATOM 121 CA MET A 121 263.693 295.102 242.483 1.00 0.00 C +ATOM 122 CA TRP A 122 261.091 293.086 240.565 1.00 0.00 C +ATOM 123 CA ARG A 123 260.142 291.389 237.288 1.00 0.00 C +ATOM 124 CA ARG A 124 260.068 288.309 235.047 1.00 0.00 C +ATOM 125 CA GLU A 125 257.110 286.191 233.916 1.00 0.00 C +ATOM 126 CA LYS A 126 257.495 282.682 235.350 1.00 0.00 C +ATOM 127 CA GLU A 127 254.583 280.486 234.246 1.00 0.00 C +ATOM 128 CA GLU A 128 253.375 281.809 230.884 1.00 0.00 C +ATOM 129 CA GLU A 129 250.873 284.680 230.788 1.00 0.00 C +ATOM 130 CA ARG A 130 251.836 288.364 230.929 1.00 0.00 C +ATOM 131 CA VAL A 131 250.331 291.061 228.698 1.00 0.00 C +ATOM 132 CA ARG A 132 247.585 293.614 229.373 1.00 0.00 C +ATOM 133 CA LYS A 133 244.691 294.519 227.065 1.00 0.00 C +ATOM 134 CA GLU A 134 243.822 291.519 224.883 1.00 0.00 C +ATOM 135 CA GLU A 135 245.656 290.046 221.885 1.00 0.00 C +ATOM 136 CA ILE A 136 244.423 287.918 218.975 1.00 0.00 C +ATOM 137 CA GLU A 137 243.152 284.525 220.153 1.00 0.00 C +ATOM 138 CA ARG A 138 239.865 284.478 222.079 1.00 0.00 C +ATOM 139 CA SER A 139 239.110 286.581 225.166 1.00 0.00 C +ATOM 140 CA ALA A 140 236.305 285.753 227.608 1.00 0.00 C +ATOM 141 CA GLU A 141 233.697 285.891 230.381 1.00 0.00 C +ATOM 142 CA GLU A 142 234.555 286.832 233.972 1.00 0.00 C +ATOM 143 CA ALA A 143 236.422 284.098 235.857 1.00 0.00 C +ATOM 144 CA ALA A 144 234.973 281.765 238.497 1.00 0.00 C +ATOM 145 CA GLY A 145 231.461 282.694 239.645 1.00 0.00 C +ATOM 146 CA GLY A 146 230.546 282.367 243.329 1.00 0.00 C +ATOM 147 CA LEU A 147 228.147 285.215 244.139 1.00 0.00 C +ATOM 148 CA GLN A 148 225.631 284.903 246.983 1.00 0.00 C +ATOM 149 CA SER A 149 222.025 284.493 248.142 1.00 0.00 C +ATOM 150 CA PRO A 150 218.735 285.628 246.591 1.00 0.00 C +ATOM 151 CA GLY A 151 218.547 284.229 243.052 1.00 0.00 C +ATOM 152 CA LYS A 152 220.633 281.735 241.067 1.00 0.00 C +ATOM 153 CA ALA A 153 223.361 283.460 239.044 1.00 0.00 C +ATOM 154 CA VAL A 154 223.782 283.295 235.261 1.00 0.00 C +ATOM 155 CA PHE A 155 222.446 284.211 231.812 1.00 0.00 C +ATOM 156 CA SER A 156 224.891 286.628 230.171 1.00 0.00 C +ATOM 157 CA ALA A 157 223.793 289.472 227.886 1.00 0.00 C +ATOM 158 CA GLN A 158 224.974 292.681 229.564 1.00 0.00 C +ATOM 159 CA LYS A 159 228.139 291.640 231.412 1.00 0.00 C +ATOM 160 CA GLY A 160 230.037 294.130 233.583 1.00 0.00 C +ATOM 161 CA GLY A 161 232.471 296.058 231.375 1.00 0.00 C +ATOM 162 CA ARG A 162 233.207 297.613 227.976 1.00 0.00 C +ATOM 163 CA GLY A 163 235.768 300.428 227.786 1.00 0.00 C +ATOM 164 CA TRP A 164 239.129 302.217 227.657 1.00 0.00 C +TER 165 TRP A 164 +END diff --git a/Fungi/A0A6A5S7X4/A0A6A5S7X4.dcd b/Fungi/A0A6A5S7X4/A0A6A5S7X4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..ffb7ea5a582a243b699509959eae61ab85054819 --- /dev/null +++ b/Fungi/A0A6A5S7X4/A0A6A5S7X4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:29e0e98dfe04e2269d0e4c741f03d68136b5f8039b4370b3427ddc9cfd6fa5bb +size 7280276 diff --git a/Fungi/A0A6A5S7X4/top.pdb b/Fungi/A0A6A5S7X4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..641f340745cb4c6cf3ba36e6094d4e7fd0e6b40a --- /dev/null +++ b/Fungi/A0A6A5S7X4/top.pdb @@ -0,0 +1,58 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 258.647 228.761 240.386 1.00 0.00 C +ATOM 2 CA THR A 2 260.399 232.140 240.560 1.00 0.00 C +ATOM 3 CA TRP A 3 262.243 234.093 237.858 1.00 0.00 C +ATOM 4 CA ARG A 4 260.750 236.425 235.241 1.00 0.00 C +ATOM 5 CA PRO A 5 259.107 239.862 235.184 1.00 0.00 C +ATOM 6 CA ALA A 6 261.688 242.551 234.395 1.00 0.00 C +ATOM 7 CA VAL A 7 263.637 245.466 235.886 1.00 0.00 C +ATOM 8 CA PRO A 8 262.523 249.100 236.146 1.00 0.00 C +ATOM 9 CA GLU A 9 262.385 252.682 237.437 1.00 0.00 C +ATOM 10 CA VAL A 10 262.966 256.383 236.745 1.00 0.00 C +ATOM 11 CA LYS A 11 260.034 258.576 235.687 1.00 0.00 C +ATOM 12 CA PRO A 12 256.273 259.022 235.276 1.00 0.00 C +ATOM 13 CA GLU A 13 253.451 259.869 237.692 1.00 0.00 C +ATOM 14 CA ASP A 14 253.085 259.049 241.395 1.00 0.00 C +ATOM 15 CA GLY A 15 251.007 260.641 244.163 1.00 0.00 C +ATOM 16 CA LEU A 16 251.650 261.951 247.683 1.00 0.00 C +ATOM 17 CA GLY A 17 250.610 261.095 251.247 1.00 0.00 C +ATOM 18 CA LEU A 18 247.439 262.524 252.802 1.00 0.00 C +ATOM 19 CA PRO A 19 244.132 264.049 251.681 1.00 0.00 C +ATOM 20 CA PRO A 20 240.415 263.451 252.267 1.00 0.00 C +ATOM 21 CA LEU A 21 237.385 264.488 254.330 1.00 0.00 C +ATOM 22 CA GLN A 22 235.034 261.710 255.458 1.00 0.00 C +ATOM 23 CA GLN A 23 234.657 261.166 259.211 1.00 0.00 C +ATOM 24 CA ASP A 24 234.485 258.171 261.559 1.00 0.00 C +ATOM 25 CA GLU A 25 232.070 257.005 264.265 1.00 0.00 C +ATOM 26 CA PRO A 26 233.932 254.403 266.334 1.00 0.00 C +ATOM 27 CA ALA A 27 233.551 252.945 269.834 1.00 0.00 C +ATOM 28 CA THR A 28 235.726 254.227 272.687 1.00 0.00 C +ATOM 29 CA THR A 29 238.279 255.854 275.000 1.00 0.00 C +ATOM 30 CA ARG A 30 239.981 259.076 273.886 1.00 0.00 C +ATOM 31 CA LYS A 31 241.142 258.918 270.260 1.00 0.00 C +ATOM 32 CA TYR A 32 242.460 255.470 269.317 1.00 0.00 C +ATOM 33 CA LEU A 33 243.864 252.059 270.270 1.00 0.00 C +ATOM 34 CA GLY A 34 246.830 250.159 268.818 1.00 0.00 C +ATOM 35 CA ASN A 35 246.723 248.233 265.532 1.00 0.00 C +ATOM 36 CA TYR A 36 249.393 249.889 263.378 1.00 0.00 C +ATOM 37 CA LYS A 37 250.865 253.398 263.567 1.00 0.00 C +ATOM 38 CA GLY A 38 252.855 254.189 260.415 1.00 0.00 C +ATOM 39 CA ARG A 39 256.330 253.814 258.899 1.00 0.00 C +ATOM 40 CA ARG A 40 256.203 252.269 255.418 1.00 0.00 C +ATOM 41 CA GLY A 41 252.937 251.837 253.505 1.00 0.00 C +ATOM 42 CA THR A 42 251.621 249.326 250.959 1.00 0.00 C +ATOM 43 CA LEU A 43 250.839 247.541 247.685 1.00 0.00 C +ATOM 44 CA ASP A 44 251.395 244.001 246.391 1.00 0.00 C +ATOM 45 CA SER A 45 249.857 240.982 248.132 1.00 0.00 C +ATOM 46 CA PRO A 46 252.512 238.252 248.034 1.00 0.00 C +ATOM 47 CA LEU A 47 255.114 235.909 246.531 1.00 0.00 C +ATOM 48 CA SER A 48 254.931 234.104 243.181 1.00 0.00 C +ATOM 49 CA ASN A 49 255.919 236.129 240.108 1.00 0.00 C +ATOM 50 CA PRO A 50 254.613 234.757 236.803 1.00 0.00 C +ATOM 51 CA SER A 51 252.321 234.571 233.765 1.00 0.00 C +ATOM 52 CA ASP A 52 251.462 236.571 230.638 1.00 0.00 C +ATOM 53 CA TYR A 53 250.016 239.904 229.492 1.00 0.00 C +ATOM 54 CA PHE A 54 252.258 240.983 226.606 1.00 0.00 C +TER 55 PHE A 54 +END diff --git a/Fungi/A0A6A5TBV6/A0A6A5TBV6.dcd b/Fungi/A0A6A5TBV6/A0A6A5TBV6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..4d66cfe26a4efd0533a47409d3f980ca86b4027b --- /dev/null +++ b/Fungi/A0A6A5TBV6/A0A6A5TBV6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c2ba739b4f087c00e7f3665cc0256e018b0d3abf43450003f3ac885497474843 +size 46920276 diff --git a/Fungi/A0A6A5TBV6/top.pdb b/Fungi/A0A6A5TBV6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..856dbb3a93d09c578e2f59e462509ccc59747f81 --- /dev/null +++ b/Fungi/A0A6A5TBV6/top.pdb @@ -0,0 +1,258 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 225.276 267.136 174.890 1.00 0.00 C +ATOM 2 CA SER A 2 222.449 266.333 177.314 1.00 0.00 C +ATOM 3 CA SER A 3 218.762 265.992 176.416 1.00 0.00 C +ATOM 4 CA ALA A 4 216.891 265.415 179.685 1.00 0.00 C +ATOM 5 CA GLY A 5 216.811 262.030 181.431 1.00 0.00 C +ATOM 6 CA GLY A 6 217.629 262.046 185.152 1.00 0.00 C +ATOM 7 CA ARG A 7 218.188 264.767 187.760 1.00 0.00 C +ATOM 8 CA GLY A 8 217.633 265.380 191.479 1.00 0.00 C +ATOM 9 CA ARG A 9 220.124 263.956 193.986 1.00 0.00 C +ATOM 10 CA GLY A 10 218.827 265.026 197.404 1.00 0.00 C +ATOM 11 CA GLY A 11 218.819 267.480 200.319 1.00 0.00 C +ATOM 12 CA LYS A 12 217.343 266.493 203.690 1.00 0.00 C +ATOM 13 CA PHE A 13 216.626 267.199 207.365 1.00 0.00 C +ATOM 14 CA ASN A 14 217.453 270.861 208.019 1.00 0.00 C +ATOM 15 CA LYS A 15 217.739 274.466 209.218 1.00 0.00 C +ATOM 16 CA VAL A 16 215.660 277.642 208.896 1.00 0.00 C +ATOM 17 CA LYS A 17 212.684 279.131 210.752 1.00 0.00 C +ATOM 18 CA ARG A 18 209.599 279.403 212.971 1.00 0.00 C +ATOM 19 CA GLY A 19 205.902 280.018 213.657 1.00 0.00 C +ATOM 20 CA GLY A 20 203.706 278.420 210.985 1.00 0.00 C +ATOM 21 CA GLY A 21 201.441 279.715 208.208 1.00 0.00 C +ATOM 22 CA LYS A 22 201.923 277.532 205.123 1.00 0.00 C +ATOM 23 CA LYS A 23 203.091 277.552 201.496 1.00 0.00 C +ATOM 24 CA PHE A 24 205.476 280.495 201.092 1.00 0.00 C +ATOM 25 CA SER A 25 205.859 283.932 202.690 1.00 0.00 C +ATOM 26 CA ARG A 26 207.321 286.590 200.384 1.00 0.00 C +ATOM 27 CA ASP A 27 205.096 289.509 199.364 1.00 0.00 C +ATOM 28 CA LEU A 28 202.332 291.565 200.992 1.00 0.00 C +ATOM 29 CA GLN A 29 201.251 294.675 199.074 1.00 0.00 C +ATOM 30 CA PRO A 30 200.906 298.457 199.372 1.00 0.00 C +ATOM 31 CA LEU A 31 199.913 300.232 202.594 1.00 0.00 C +ATOM 32 CA ASN A 32 202.057 299.259 205.590 1.00 0.00 C +ATOM 33 CA ALA A 33 203.205 302.294 207.587 1.00 0.00 C +ATOM 34 CA ASP A 34 206.192 303.719 209.474 1.00 0.00 C +ATOM 35 CA GLY A 35 209.587 304.204 207.815 1.00 0.00 C +ATOM 36 CA GLU A 36 213.121 302.819 207.483 1.00 0.00 C +ATOM 37 CA VAL A 37 214.192 300.703 210.465 1.00 0.00 C +ATOM 38 CA VAL A 38 213.569 297.362 212.187 1.00 0.00 C +ATOM 39 CA GLY A 39 213.708 295.308 215.393 1.00 0.00 C +ATOM 40 CA MET A 40 213.797 295.662 219.186 1.00 0.00 C +ATOM 41 CA TRP A 41 213.476 292.521 221.317 1.00 0.00 C +ATOM 42 CA GLY A 42 215.074 289.305 220.044 1.00 0.00 C +ATOM 43 CA GLU A 43 217.257 286.183 220.011 1.00 0.00 C +ATOM 44 CA GLN A 44 219.816 285.631 222.779 1.00 0.00 C +ATOM 45 CA ALA A 45 221.975 282.708 221.632 1.00 0.00 C +ATOM 46 CA GLY A 46 225.155 283.772 219.824 1.00 0.00 C +ATOM 47 CA LYS A 47 224.906 287.524 219.205 1.00 0.00 C +ATOM 48 CA VAL A 48 227.427 290.354 219.593 1.00 0.00 C +ATOM 49 CA GLN A 49 230.935 289.232 220.570 1.00 0.00 C +ATOM 50 CA GLU A 50 234.465 290.445 221.332 1.00 0.00 C +ATOM 51 CA GLU A 51 235.548 292.751 224.164 1.00 0.00 C +ATOM 52 CA SER A 52 237.027 295.452 226.408 1.00 0.00 C +ATOM 53 CA SER A 53 237.063 299.262 226.430 1.00 0.00 C +ATOM 54 CA GLU A 54 235.610 302.496 227.825 1.00 0.00 C +ATOM 55 CA GLU A 55 238.098 305.357 227.449 1.00 0.00 C +ATOM 56 CA GLU A 56 241.849 305.910 227.825 1.00 0.00 C +ATOM 57 CA SER A 57 245.548 305.691 228.711 1.00 0.00 C +ATOM 58 CA SER A 58 249.043 305.337 230.185 1.00 0.00 C +ATOM 59 CA SER A 59 250.667 304.425 233.509 1.00 0.00 C +ATOM 60 CA GLU A 60 254.354 303.496 233.268 1.00 0.00 C +ATOM 61 CA GLU A 61 256.457 300.808 234.961 1.00 0.00 C +ATOM 62 CA GLU A 62 260.241 300.593 235.353 1.00 0.00 C +ATOM 63 CA SER A 63 261.739 297.961 237.664 1.00 0.00 C +ATOM 64 CA SER A 64 264.588 295.478 238.151 1.00 0.00 C +ATOM 65 CA ASP A 65 263.936 292.185 236.348 1.00 0.00 C +ATOM 66 CA GLU A 66 263.334 289.096 238.495 1.00 0.00 C +ATOM 67 CA ASP A 67 261.387 286.672 240.697 1.00 0.00 C +ATOM 68 CA GLY A 68 258.931 285.998 243.530 1.00 0.00 C +ATOM 69 CA LYS A 69 257.238 282.615 243.987 1.00 0.00 C +ATOM 70 CA PRO A 70 253.716 281.614 242.934 1.00 0.00 C +ATOM 71 CA ALA A 71 251.951 278.260 242.553 1.00 0.00 C +ATOM 72 CA GLN A 72 253.011 274.803 241.352 1.00 0.00 C +ATOM 73 CA GLU A 73 249.848 272.926 240.356 1.00 0.00 C +ATOM 74 CA GLU A 74 246.225 271.749 240.419 1.00 0.00 C +ATOM 75 CA MET A 75 244.138 269.787 237.907 1.00 0.00 C +ATOM 76 CA THR A 76 240.843 269.087 239.688 1.00 0.00 C +ATOM 77 CA ARG A 77 237.678 268.074 237.824 1.00 0.00 C +ATOM 78 CA GLU A 78 237.834 264.568 236.341 1.00 0.00 C +ATOM 79 CA GLN A 79 235.084 262.020 237.021 1.00 0.00 C +ATOM 80 CA ARG A 80 231.343 262.674 236.715 1.00 0.00 C +ATOM 81 CA ARG A 81 229.971 266.219 236.975 1.00 0.00 C +ATOM 82 CA GLU A 82 227.339 268.969 236.807 1.00 0.00 C +ATOM 83 CA ALA A 83 225.094 269.730 239.790 1.00 0.00 C +ATOM 84 CA ALA A 84 224.992 266.796 242.218 1.00 0.00 C +ATOM 85 CA LYS A 85 227.230 266.382 245.274 1.00 0.00 C +ATOM 86 CA LYS A 86 229.240 263.316 246.311 1.00 0.00 C +ATOM 87 CA ARG A 87 233.011 263.224 245.775 1.00 0.00 C +ATOM 88 CA LYS A 88 235.396 263.784 242.857 1.00 0.00 C +ATOM 89 CA ALA A 89 237.942 260.974 242.486 1.00 0.00 C +ATOM 90 CA ALA A 90 241.579 259.998 241.905 1.00 0.00 C +ATOM 91 CA ALA A 91 241.820 256.409 240.651 1.00 0.00 C +ATOM 92 CA ILE A 92 239.453 254.323 238.514 1.00 0.00 C +ATOM 93 CA ALA A 93 238.506 256.040 235.247 1.00 0.00 C +ATOM 94 CA LYS A 94 236.592 255.669 231.974 1.00 0.00 C +ATOM 95 CA LYS A 95 236.408 256.238 228.211 1.00 0.00 C +ATOM 96 CA SER A 96 237.742 259.404 226.564 1.00 0.00 C +ATOM 97 CA LYS A 97 239.352 262.849 226.329 1.00 0.00 C +ATOM 98 CA LYS A 98 239.697 266.029 228.398 1.00 0.00 C +ATOM 99 CA ALA A 99 237.969 268.157 231.044 1.00 0.00 C +ATOM 100 CA PRO A 100 240.514 270.641 232.410 1.00 0.00 C +ATOM 101 CA GLU A 101 242.558 273.645 233.560 1.00 0.00 C +ATOM 102 CA ALA A 102 242.639 277.378 234.314 1.00 0.00 C +ATOM 103 CA GLY A 103 244.785 279.678 232.164 1.00 0.00 C +ATOM 104 CA ASP A 104 248.425 279.973 231.079 1.00 0.00 C +ATOM 105 CA LEU A 105 251.170 278.811 228.706 1.00 0.00 C +ATOM 106 CA PRO A 106 252.200 275.826 226.574 1.00 0.00 C +ATOM 107 CA THR A 107 253.186 272.254 227.459 1.00 0.00 C +ATOM 108 CA ASP A 108 251.803 268.705 227.385 1.00 0.00 C +ATOM 109 CA SER A 109 248.561 266.704 227.346 1.00 0.00 C +ATOM 110 CA GLU A 110 245.811 265.479 225.011 1.00 0.00 C +ATOM 111 CA ASP A 111 245.289 265.776 221.249 1.00 0.00 C +ATOM 112 CA GLU A 112 245.667 262.982 218.687 1.00 0.00 C +ATOM 113 CA SER A 113 247.038 262.844 215.135 1.00 0.00 C +ATOM 114 CA ASP A 114 249.203 259.731 214.754 1.00 0.00 C +ATOM 115 CA ASP A 115 252.071 257.986 212.953 1.00 0.00 C +ATOM 116 CA ASP A 116 255.839 258.082 213.511 1.00 0.00 C +ATOM 117 CA ASP A 117 258.566 256.531 215.672 1.00 0.00 C +ATOM 118 CA GLU A 118 258.327 253.059 217.222 1.00 0.00 C +ATOM 119 CA ASP A 119 258.791 252.757 220.991 1.00 0.00 C +ATOM 120 CA MET A 120 255.977 251.476 223.218 1.00 0.00 C +ATOM 121 CA PRO A 121 254.012 254.307 224.844 1.00 0.00 C +ATOM 122 CA ALA A 122 253.146 255.432 228.379 1.00 0.00 C +ATOM 123 CA ASN A 123 255.587 258.115 229.543 1.00 0.00 C +ATOM 124 CA PRO A 124 254.915 258.711 233.245 1.00 0.00 C +ATOM 125 CA ASN A 125 253.359 255.753 235.075 1.00 0.00 C +ATOM 126 CA HIS A 126 255.954 253.389 236.556 1.00 0.00 C +ATOM 127 CA THR A 127 254.266 250.465 238.319 1.00 0.00 C +ATOM 128 CA ALA A 128 254.028 248.740 241.708 1.00 0.00 C +ATOM 129 CA LYS A 129 252.951 245.104 241.340 1.00 0.00 C +ATOM 130 CA ALA A 130 252.463 243.238 244.626 1.00 0.00 C +ATOM 131 CA ARG A 131 253.363 239.800 245.999 1.00 0.00 C +ATOM 132 CA SER A 132 254.983 237.495 248.565 1.00 0.00 C +ATOM 133 CA GLN A 133 253.684 238.551 251.987 1.00 0.00 C +ATOM 134 CA ALA A 134 254.786 236.788 255.180 1.00 0.00 C +ATOM 135 CA ALA A 135 253.490 234.083 257.530 1.00 0.00 C +ATOM 136 CA THR A 136 250.460 232.601 259.301 1.00 0.00 C +ATOM 137 CA ALA A 137 249.235 229.249 260.633 1.00 0.00 C +ATOM 138 CA PRO A 138 247.895 229.292 264.199 1.00 0.00 C +ATOM 139 CA ALA A 139 244.591 228.309 265.822 1.00 0.00 C +ATOM 140 CA ASP A 140 244.487 230.187 269.135 1.00 0.00 C +ATOM 141 CA PRO A 141 243.141 229.224 272.567 1.00 0.00 C +ATOM 142 CA ASP A 142 241.618 226.694 274.975 1.00 0.00 C +ATOM 143 CA ALA A 143 240.339 225.943 278.484 1.00 0.00 C +ATOM 144 CA GLU A 144 240.585 228.060 281.642 1.00 0.00 C +ATOM 145 CA PRO A 145 243.345 228.069 284.268 1.00 0.00 C +ATOM 146 CA ALA A 146 243.081 229.993 287.546 1.00 0.00 C +ATOM 147 CA ALA A 147 246.039 228.880 289.674 1.00 0.00 C +ATOM 148 CA ALA A 148 249.548 228.400 288.269 1.00 0.00 C +ATOM 149 CA ALA A 149 252.672 226.638 286.984 1.00 0.00 C +ATOM 150 CA ALA A 150 252.658 223.158 285.435 1.00 0.00 C +ATOM 151 CA LYS A 151 249.883 222.975 282.831 1.00 0.00 C +ATOM 152 CA GLY A 152 250.140 225.973 280.495 1.00 0.00 C +ATOM 153 CA LYS A 153 251.061 224.714 277.018 1.00 0.00 C +ATOM 154 CA GLY A 154 251.263 221.853 274.511 1.00 0.00 C +ATOM 155 CA LYS A 155 252.549 218.325 275.157 1.00 0.00 C +ATOM 156 CA ALA A 156 253.515 214.679 275.693 1.00 0.00 C +ATOM 157 CA PRO A 157 254.514 212.520 272.716 1.00 0.00 C +ATOM 158 CA ASP A 158 254.321 211.111 269.182 1.00 0.00 C +ATOM 159 CA VAL A 159 257.130 209.554 267.131 1.00 0.00 C +ATOM 160 CA SER A 160 257.223 210.404 263.419 1.00 0.00 C +ATOM 161 CA GLN A 161 255.407 211.977 260.461 1.00 0.00 C +ATOM 162 CA LEU A 162 256.374 211.634 256.792 1.00 0.00 C +ATOM 163 CA SER A 163 257.264 208.997 254.190 1.00 0.00 C +ATOM 164 CA ARG A 164 260.304 207.569 252.391 1.00 0.00 C +ATOM 165 CA ARG A 165 263.689 209.094 253.243 1.00 0.00 C +ATOM 166 CA GLU A 166 264.540 212.806 253.119 1.00 0.00 C +ATOM 167 CA ARG A 167 266.083 216.289 253.158 1.00 0.00 C +ATOM 168 CA GLU A 168 269.137 217.709 251.377 1.00 0.00 C +ATOM 169 CA ALA A 169 272.061 217.483 253.809 1.00 0.00 C +ATOM 170 CA PHE A 170 272.386 216.683 257.519 1.00 0.00 C +ATOM 171 CA GLN A 171 270.145 216.059 260.537 1.00 0.00 C +ATOM 172 CA ALA A 172 268.705 212.554 260.143 1.00 0.00 C +ATOM 173 CA GLN A 173 269.412 210.075 262.948 1.00 0.00 C +ATOM 174 CA GLN A 174 271.339 209.307 266.144 1.00 0.00 C +ATOM 175 CA SER A 175 274.567 207.372 266.739 1.00 0.00 C +ATOM 176 CA LYS A 176 276.732 208.307 269.731 1.00 0.00 C +ATOM 177 CA GLU A 177 276.969 205.638 272.440 1.00 0.00 C +ATOM 178 CA ARG A 178 276.234 202.285 270.785 1.00 0.00 C +ATOM 179 CA TYR A 179 274.126 200.407 268.227 1.00 0.00 C +ATOM 180 CA GLU A 180 270.731 199.261 266.932 1.00 0.00 C +ATOM 181 CA LYS A 181 268.868 202.210 265.399 1.00 0.00 C +ATOM 182 CA LEU A 182 265.160 201.514 265.931 1.00 0.00 C +ATOM 183 CA HIS A 183 264.669 200.249 269.491 1.00 0.00 C +ATOM 184 CA ALA A 184 266.031 202.844 271.926 1.00 0.00 C +ATOM 185 CA GLU A 185 265.507 202.153 275.636 1.00 0.00 C +ATOM 186 CA GLY A 186 268.242 201.778 278.262 1.00 0.00 C +ATOM 187 CA LYS A 187 271.409 200.411 276.643 1.00 0.00 C +ATOM 188 CA THR A 188 272.807 197.291 278.325 1.00 0.00 C +ATOM 189 CA GLU A 189 273.197 196.804 282.084 1.00 0.00 C +ATOM 190 CA GLN A 190 275.157 195.676 285.150 1.00 0.00 C +ATOM 191 CA ALA A 191 277.882 193.083 285.756 1.00 0.00 C +ATOM 192 CA ARG A 192 280.967 192.303 287.852 1.00 0.00 C +ATOM 193 CA SER A 193 284.504 191.259 288.807 1.00 0.00 C +ATOM 194 CA ASP A 194 288.145 190.155 289.008 1.00 0.00 C +ATOM 195 CA LEU A 195 290.361 193.156 289.784 1.00 0.00 C +ATOM 196 CA GLU A 196 289.640 196.812 288.991 1.00 0.00 C +ATOM 197 CA ARG A 197 289.564 199.825 291.322 1.00 0.00 C +ATOM 198 CA LEU A 198 286.185 200.885 292.726 1.00 0.00 C +ATOM 199 CA ALA A 199 282.994 202.943 292.400 1.00 0.00 C +ATOM 200 CA LEU A 200 281.358 205.033 295.133 1.00 0.00 C +ATOM 201 CA VAL A 201 280.948 208.755 295.836 1.00 0.00 C +ATOM 202 CA ARG A 202 280.005 210.693 292.694 1.00 0.00 C +ATOM 203 CA GLU A 203 278.061 212.476 289.944 1.00 0.00 C +ATOM 204 CA ARG A 204 275.232 213.954 287.864 1.00 0.00 C +ATOM 205 CA ARG A 205 274.981 217.202 285.889 1.00 0.00 C +ATOM 206 CA GLU A 206 276.080 219.274 282.886 1.00 0.00 C +ATOM 207 CA ASN A 207 276.948 218.096 279.368 1.00 0.00 C +ATOM 208 CA GLU A 208 276.062 219.431 275.912 1.00 0.00 C +ATOM 209 CA SER A 209 275.846 219.322 272.109 1.00 0.00 C +ATOM 210 CA ALA A 210 274.976 222.575 270.328 1.00 0.00 C +ATOM 211 CA ARG A 211 273.067 224.908 267.997 1.00 0.00 C +ATOM 212 CA LYS A 212 269.809 226.701 268.825 1.00 0.00 C +ATOM 213 CA LYS A 213 268.206 225.143 271.911 1.00 0.00 C +ATOM 214 CA ALA A 214 265.563 227.457 273.387 1.00 0.00 C +ATOM 215 CA GLU A 215 264.367 229.677 276.243 1.00 0.00 C +ATOM 216 CA ALA A 216 263.007 232.112 278.838 1.00 0.00 C +ATOM 217 CA GLU A 217 260.885 235.277 278.840 1.00 0.00 C +ATOM 218 CA GLU A 218 257.327 236.610 278.561 1.00 0.00 C +ATOM 219 CA ARG A 219 254.319 237.526 280.712 1.00 0.00 C +ATOM 220 CA ALA A 220 253.341 240.014 283.427 1.00 0.00 C +ATOM 221 CA GLU A 221 253.921 241.181 287.007 1.00 0.00 C +ATOM 222 CA LEU A 222 253.218 243.507 289.942 1.00 0.00 C +ATOM 223 CA ASP A 223 249.932 245.004 291.158 1.00 0.00 C +ATOM 224 CA LYS A 224 246.391 245.361 289.798 1.00 0.00 C +ATOM 225 CA GLU A 225 245.664 246.076 286.127 1.00 0.00 C +ATOM 226 CA LYS A 226 245.329 248.551 283.250 1.00 0.00 C +ATOM 227 CA LYS A 227 248.529 248.152 281.221 1.00 0.00 C +ATOM 228 CA GLU A 228 251.309 250.654 281.949 1.00 0.00 C +ATOM 229 CA LEU A 229 254.940 250.858 280.812 1.00 0.00 C +ATOM 230 CA MET A 230 258.279 251.450 282.548 1.00 0.00 C +ATOM 231 CA ASP A 231 261.111 252.363 284.928 1.00 0.00 C +ATOM 232 CA ARG A 232 263.818 252.025 287.588 1.00 0.00 C +ATOM 233 CA GLU A 233 266.928 249.832 287.404 1.00 0.00 C +ATOM 234 CA SER A 234 269.809 249.318 284.965 1.00 0.00 C +ATOM 235 CA ARG A 235 272.991 247.582 286.139 1.00 0.00 C +ATOM 236 CA ARG A 236 276.061 245.398 286.703 1.00 0.00 C +ATOM 237 CA ARG A 237 277.223 241.822 287.317 1.00 0.00 C +ATOM 238 CA GLU A 238 279.513 242.088 290.350 1.00 0.00 C +ATOM 239 CA GLN A 239 280.888 238.676 291.341 1.00 0.00 C +ATOM 240 CA ALA A 240 283.619 236.036 291.638 1.00 0.00 C +ATOM 241 CA MET A 241 286.807 235.337 293.604 1.00 0.00 C +ATOM 242 CA GLY A 242 289.758 232.987 294.138 1.00 0.00 C +ATOM 243 CA LYS A 243 290.579 231.872 297.688 1.00 0.00 C +ATOM 244 CA ALA A 244 290.229 231.967 301.481 1.00 0.00 C +ATOM 245 CA ASN A 245 292.280 229.434 303.454 1.00 0.00 C +ATOM 246 CA ARG A 246 292.931 228.531 307.098 1.00 0.00 C +ATOM 247 CA LEU A 247 291.910 230.984 309.828 1.00 0.00 C +ATOM 248 CA ALA A 248 289.738 234.104 310.098 1.00 0.00 C +ATOM 249 CA LYS A 249 286.514 236.123 309.894 1.00 0.00 C +ATOM 250 CA GLY A 250 286.693 239.550 311.550 1.00 0.00 C +ATOM 251 CA GLY A 251 289.913 241.153 310.297 1.00 0.00 C +ATOM 252 CA LYS A 252 292.657 240.750 312.909 1.00 0.00 C +ATOM 253 CA LYS A 253 296.464 240.790 312.747 1.00 0.00 C +ATOM 254 CA LYS A 254 299.169 238.187 312.098 1.00 0.00 C +TER 255 LYS A 254 +END diff --git a/Fungi/A0A6A5VRY8/A0A6A5VRY8.dcd b/Fungi/A0A6A5VRY8/A0A6A5VRY8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..20c384025da29aae2cc6d3fd0931cd9b0bf01f9a --- /dev/null +++ b/Fungi/A0A6A5VRY8/A0A6A5VRY8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a9a7fa1532a0bd3d3c8ab90db0fdcb28287687ccf6065e26a79da421a69994f3 +size 8480276 diff --git a/Fungi/A0A6A5VRY8/top.pdb b/Fungi/A0A6A5VRY8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b6be1acab6f931bf3ffd2c9ee67f954bdf101b5d --- /dev/null +++ b/Fungi/A0A6A5VRY8/top.pdb @@ -0,0 +1,68 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LEU A 1 265.720 267.918 263.696 1.00 0.00 C +ATOM 2 CA GLN A 2 262.428 269.789 263.266 1.00 0.00 C +ATOM 3 CA VAL A 3 260.367 272.788 262.141 1.00 0.00 C +ATOM 4 CA GLN A 4 258.332 275.670 263.581 1.00 0.00 C +ATOM 5 CA ASN A 5 254.790 275.744 264.981 1.00 0.00 C +ATOM 6 CA GLU A 6 250.998 275.586 264.647 1.00 0.00 C +ATOM 7 CA LEU A 7 248.141 273.168 265.361 1.00 0.00 C +ATOM 8 CA LEU A 8 245.396 274.957 267.304 1.00 0.00 C +ATOM 9 CA HIS A 9 241.923 273.389 267.335 1.00 0.00 C +ATOM 10 CA HIS A 10 238.617 272.924 265.500 1.00 0.00 C +ATOM 11 CA GLU A 11 236.333 271.120 267.959 1.00 0.00 C +ATOM 12 CA ASN A 12 234.126 268.341 266.572 1.00 0.00 C +ATOM 13 CA SER A 13 233.835 264.564 266.972 1.00 0.00 C +ATOM 14 CA GLY A 14 230.415 263.536 268.299 1.00 0.00 C +ATOM 15 CA LEU A 15 227.475 262.206 266.273 1.00 0.00 C +ATOM 16 CA ARG A 16 224.764 261.115 263.829 1.00 0.00 C +ATOM 17 CA ASP A 17 225.162 259.249 260.531 1.00 0.00 C +ATOM 18 CA ALA A 18 228.171 257.757 258.732 1.00 0.00 C +ATOM 19 CA LEU A 19 227.915 255.645 255.572 1.00 0.00 C +ATOM 20 CA THR A 20 224.379 254.226 255.578 1.00 0.00 C +ATOM 21 CA ALA A 21 222.815 251.580 253.327 1.00 0.00 C +ATOM 22 CA LYS A 22 225.696 249.324 252.266 1.00 0.00 C +ATOM 23 CA LYS A 23 224.184 246.242 250.613 1.00 0.00 C +ATOM 24 CA GLN A 24 225.390 242.675 251.192 1.00 0.00 C +ATOM 25 CA ARG A 25 225.685 238.891 250.855 1.00 0.00 C +ATOM 26 CA LYS A 26 227.193 237.277 247.751 1.00 0.00 C +ATOM 27 CA ASN A 27 228.768 234.031 248.974 1.00 0.00 C +ATOM 28 CA ALA A 28 231.774 231.713 249.297 1.00 0.00 C +ATOM 29 CA GLY A 29 235.181 230.179 250.042 1.00 0.00 C +ATOM 30 CA LYS A 30 237.985 228.996 247.749 1.00 0.00 C +ATOM 31 CA PRO A 31 240.837 231.520 247.655 1.00 0.00 C +ATOM 32 CA LEU A 32 242.696 230.710 244.429 1.00 0.00 C +ATOM 33 CA ASP A 33 244.662 232.720 241.859 1.00 0.00 C +ATOM 34 CA LEU A 34 244.367 233.875 238.240 1.00 0.00 C +ATOM 35 CA GLN A 35 247.695 233.215 236.506 1.00 0.00 C +ATOM 36 CA ARG A 36 250.996 232.309 234.833 1.00 0.00 C +ATOM 37 CA GLU A 37 253.280 233.847 232.201 1.00 0.00 C +ATOM 38 CA GLU A 38 253.854 237.409 233.428 1.00 0.00 C +ATOM 39 CA GLU A 39 256.014 239.321 235.916 1.00 0.00 C +ATOM 40 CA TYR A 40 259.068 241.354 236.945 1.00 0.00 C +ATOM 41 CA HIS A 41 260.392 244.852 237.673 1.00 0.00 C +ATOM 42 CA GLY A 42 261.363 246.652 240.887 1.00 0.00 C +ATOM 43 CA GLY A 43 262.129 249.418 243.394 1.00 0.00 C +ATOM 44 CA THR A 44 259.638 251.476 245.411 1.00 0.00 C +ATOM 45 CA THR A 45 259.324 250.451 249.068 1.00 0.00 C +ATOM 46 CA PHE A 46 257.150 249.675 252.099 1.00 0.00 C +ATOM 47 CA TRP A 47 256.070 246.022 252.133 1.00 0.00 C +ATOM 48 CA SER A 48 255.532 243.518 254.954 1.00 0.00 C +ATOM 49 CA PRO A 49 257.975 241.819 257.334 1.00 0.00 C +ATOM 50 CA SER A 50 261.409 240.197 257.031 1.00 0.00 C +ATOM 51 CA LYS A 51 263.745 242.707 255.370 1.00 0.00 C +ATOM 52 CA PHE A 52 265.234 244.588 252.410 1.00 0.00 C +ATOM 53 CA GLU A 53 267.813 243.859 249.702 1.00 0.00 C +ATOM 54 CA ARG A 54 269.215 246.607 247.467 1.00 0.00 C +ATOM 55 CA ALA A 55 272.088 248.960 246.613 1.00 0.00 C +ATOM 56 CA ARG A 56 273.509 248.497 243.109 1.00 0.00 C +ATOM 57 CA GLU A 57 277.248 247.914 242.669 1.00 0.00 C +ATOM 58 CA ARG A 58 278.908 247.704 239.246 1.00 0.00 C +ATOM 59 CA GLU A 59 276.557 248.387 236.327 1.00 0.00 C +ATOM 60 CA ALA A 60 276.108 248.372 232.543 1.00 0.00 C +ATOM 61 CA GLU A 61 275.487 245.935 229.681 1.00 0.00 C +ATOM 62 CA LYS A 62 274.641 245.039 226.076 1.00 0.00 C +ATOM 63 CA GLN A 63 272.295 244.572 223.111 1.00 0.00 C +ATOM 64 CA HIS A 64 268.743 245.899 223.486 1.00 0.00 C +TER 65 HIS A 64 +END diff --git a/Fungi/A0A6A5Y8V1/A0A6A5Y8V1.dcd b/Fungi/A0A6A5Y8V1/A0A6A5Y8V1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..fcebc44de724101a822bdb987045ef0d5ad1ee1d --- /dev/null +++ b/Fungi/A0A6A5Y8V1/A0A6A5Y8V1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a51aa8bbe3b3f201236dceb51fb6666e5fef506eab3a79bb1ea8aa8c25e21502 +size 16520276 diff --git a/Fungi/A0A6A5Y8V1/top.pdb b/Fungi/A0A6A5Y8V1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7d875736340dde80afc3d9c7b060805faeb82ce9 --- /dev/null +++ b/Fungi/A0A6A5Y8V1/top.pdb @@ -0,0 +1,135 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 221.577 256.310 248.085 1.00 0.00 C +ATOM 2 CA SER A 2 219.098 256.638 245.211 1.00 0.00 C +ATOM 3 CA ASN A 3 216.211 255.989 242.810 1.00 0.00 C +ATOM 4 CA PHE A 4 213.438 253.423 242.321 1.00 0.00 C +ATOM 5 CA PHE A 5 212.653 251.071 239.428 1.00 0.00 C +ATOM 6 CA ASP A 6 212.396 247.417 238.378 1.00 0.00 C +ATOM 7 CA ARG A 7 212.554 246.374 234.717 1.00 0.00 C +ATOM 8 CA LYS A 8 215.921 247.165 233.119 1.00 0.00 C +ATOM 9 CA ALA A 9 216.106 250.705 231.722 1.00 0.00 C +ATOM 10 CA ASN A 10 213.123 251.844 229.645 1.00 0.00 C +ATOM 11 CA PHE A 11 210.787 254.761 228.903 1.00 0.00 C +ATOM 12 CA ARG A 12 208.542 254.231 225.870 1.00 0.00 C +ATOM 13 CA ASP A 13 209.465 256.654 223.079 1.00 0.00 C +ATOM 14 CA GLU A 14 208.920 260.406 223.453 1.00 0.00 C +ATOM 15 CA GLY A 15 212.022 262.617 223.525 1.00 0.00 C +ATOM 16 CA ALA A 16 214.356 264.220 220.975 1.00 0.00 C +ATOM 17 CA ALA A 17 216.055 267.219 219.352 1.00 0.00 C +ATOM 18 CA SER A 18 217.451 270.400 220.917 1.00 0.00 C +ATOM 19 CA HIS A 19 214.932 273.175 220.226 1.00 0.00 C +ATOM 20 CA GLU A 20 213.823 276.443 221.840 1.00 0.00 C +ATOM 21 CA ALA A 21 216.167 279.396 222.389 1.00 0.00 C +ATOM 22 CA LYS A 22 216.350 283.142 223.064 1.00 0.00 C +ATOM 23 CA GLN A 23 218.697 285.637 221.398 1.00 0.00 C +ATOM 24 CA THR A 24 220.099 285.237 217.878 1.00 0.00 C +ATOM 25 CA GLY A 25 221.285 286.769 214.597 1.00 0.00 C +ATOM 26 CA GLN A 26 223.550 286.429 211.553 1.00 0.00 C +ATOM 27 CA GLY A 27 226.447 284.179 212.584 1.00 0.00 C +ATOM 28 CA HIS A 28 228.048 280.984 213.905 1.00 0.00 C +ATOM 29 CA GLY A 29 226.338 279.647 217.036 1.00 0.00 C +ATOM 30 CA SER A 30 225.393 282.346 219.554 1.00 0.00 C +ATOM 31 CA ARG A 31 226.304 283.115 223.173 1.00 0.00 C +ATOM 32 CA ALA A 32 229.696 281.623 224.056 1.00 0.00 C +ATOM 33 CA SER A 33 231.443 278.819 225.953 1.00 0.00 C +ATOM 34 CA ASP A 34 230.064 278.448 229.485 1.00 0.00 C +ATOM 35 CA ARG A 35 229.761 279.854 233.013 1.00 0.00 C +ATOM 36 CA THR A 36 230.920 278.634 236.431 1.00 0.00 C +ATOM 37 CA SER A 37 233.284 276.438 238.457 1.00 0.00 C +ATOM 38 CA HIS A 38 234.109 273.743 241.021 1.00 0.00 C +ATOM 39 CA ILE A 39 235.601 270.264 241.457 1.00 0.00 C +ATOM 40 CA TYR A 40 237.107 267.345 243.387 1.00 0.00 C +ATOM 41 CA GLU A 41 240.285 265.303 243.883 1.00 0.00 C +ATOM 42 CA ALA A 42 241.509 261.930 245.164 1.00 0.00 C +ATOM 43 CA PRO A 43 240.959 260.305 248.567 1.00 0.00 C +ATOM 44 CA TYR A 44 239.502 260.618 252.073 1.00 0.00 C +ATOM 45 CA THR A 45 241.040 259.368 255.327 1.00 0.00 C +ATOM 46 CA SER A 46 242.528 257.595 258.353 1.00 0.00 C +ATOM 47 CA HIS A 47 246.304 257.189 258.664 1.00 0.00 C +ATOM 48 CA ARG A 48 249.764 255.818 257.848 1.00 0.00 C +ATOM 49 CA LYS A 49 250.993 253.335 260.462 1.00 0.00 C +ATOM 50 CA ARG A 50 250.758 252.749 264.220 1.00 0.00 C +ATOM 51 CA SER A 51 248.561 250.240 266.062 1.00 0.00 C +ATOM 52 CA TYR A 52 246.460 247.436 267.559 1.00 0.00 C +ATOM 53 CA SER A 53 245.557 243.957 268.821 1.00 0.00 C +ATOM 54 CA PRO A 54 243.922 241.330 266.597 1.00 0.00 C +ATOM 55 CA PRO A 55 242.628 238.716 264.146 1.00 0.00 C +ATOM 56 CA SER A 56 244.571 235.440 264.064 1.00 0.00 C +ATOM 57 CA PRO A 57 244.735 231.746 263.143 1.00 0.00 C +ATOM 58 CA MET A 58 242.075 229.147 263.970 1.00 0.00 C +ATOM 59 CA THR A 59 242.556 226.043 266.127 1.00 0.00 C +ATOM 60 CA GLY A 60 244.949 223.165 265.416 1.00 0.00 C +ATOM 61 CA GLN A 61 248.456 223.660 266.820 1.00 0.00 C +ATOM 62 CA LYS A 62 251.656 225.463 265.809 1.00 0.00 C +ATOM 63 CA ARG A 63 254.067 227.829 264.047 1.00 0.00 C +ATOM 64 CA SER A 64 257.166 229.486 265.518 1.00 0.00 C +ATOM 65 CA VAL A 65 258.308 227.433 268.517 1.00 0.00 C +ATOM 66 CA SER A 66 262.103 227.722 268.695 1.00 0.00 C +ATOM 67 CA VAL A 67 263.762 231.062 269.478 1.00 0.00 C +ATOM 68 CA GLU A 68 264.873 234.660 268.902 1.00 0.00 C +ATOM 69 CA SER A 69 262.417 236.627 266.754 1.00 0.00 C +ATOM 70 CA ASN A 70 262.781 236.687 262.962 1.00 0.00 C +ATOM 71 CA THR A 71 263.591 239.767 260.870 1.00 0.00 C +ATOM 72 CA ALA A 72 263.163 243.345 262.107 1.00 0.00 C +ATOM 73 CA LEU A 73 262.979 247.035 263.038 1.00 0.00 C +ATOM 74 CA ASN A 74 260.814 249.913 261.796 1.00 0.00 C +ATOM 75 CA HIS A 75 257.573 250.716 263.631 1.00 0.00 C +ATOM 76 CA LYS A 76 257.629 251.762 267.294 1.00 0.00 C +ATOM 77 CA LYS A 77 256.512 254.868 269.196 1.00 0.00 C +ATOM 78 CA ARG A 78 252.828 254.934 270.166 1.00 0.00 C +ATOM 79 CA PRO A 79 250.088 256.265 272.454 1.00 0.00 C +ATOM 80 CA ARG A 80 246.805 257.999 271.598 1.00 0.00 C +ATOM 81 CA ILE A 81 245.854 261.670 271.967 1.00 0.00 C +ATOM 82 CA SER A 82 246.589 265.395 272.285 1.00 0.00 C +ATOM 83 CA GLU A 83 246.478 266.870 268.774 1.00 0.00 C +ATOM 84 CA ASP A 84 249.130 268.051 266.307 1.00 0.00 C +ATOM 85 CA GLU A 85 251.942 270.409 267.332 1.00 0.00 C +ATOM 86 CA ARG A 86 254.576 269.234 269.821 1.00 0.00 C +ATOM 87 CA ARG A 87 254.394 266.021 271.860 1.00 0.00 C +ATOM 88 CA LEU A 88 253.174 263.153 269.667 1.00 0.00 C +ATOM 89 CA CYS A 89 256.149 260.985 268.687 1.00 0.00 C +ATOM 90 CA GLY A 90 259.869 261.765 268.430 1.00 0.00 C +ATOM 91 CA ASP A 91 262.595 261.371 265.797 1.00 0.00 C +ATOM 92 CA TYR A 92 264.329 262.353 262.550 1.00 0.00 C +ATOM 93 CA ALA A 93 264.630 263.673 258.988 1.00 0.00 C +ATOM 94 CA LEU A 94 267.468 266.214 259.050 1.00 0.00 C +ATOM 95 CA PRO A 95 271.241 265.939 259.504 1.00 0.00 C +ATOM 96 CA SER A 96 272.300 266.299 263.146 1.00 0.00 C +ATOM 97 CA ASP A 97 274.798 263.498 263.801 1.00 0.00 C +ATOM 98 CA ALA A 98 276.429 262.155 260.630 1.00 0.00 C +ATOM 99 CA VAL A 99 277.044 258.598 259.410 1.00 0.00 C +ATOM 100 CA PRO A 100 279.509 257.010 261.843 1.00 0.00 C +ATOM 101 CA VAL A 101 278.976 253.428 263.027 1.00 0.00 C +ATOM 102 CA PRO A 102 280.551 250.090 262.082 1.00 0.00 C +ATOM 103 CA SER A 103 282.060 247.546 259.680 1.00 0.00 C +ATOM 104 CA PRO A 104 279.743 244.863 258.284 1.00 0.00 C +ATOM 105 CA GLU A 105 282.036 242.244 256.736 1.00 0.00 C +ATOM 106 CA SER A 106 282.368 238.761 255.227 1.00 0.00 C +ATOM 107 CA TRP A 107 279.293 237.755 253.214 1.00 0.00 C +ATOM 108 CA GLY A 108 277.414 234.542 252.400 1.00 0.00 C +ATOM 109 CA ASN A 109 275.812 232.154 254.899 1.00 0.00 C +ATOM 110 CA SER A 110 273.819 232.183 258.146 1.00 0.00 C +ATOM 111 CA SER A 111 271.855 232.739 261.363 1.00 0.00 C +ATOM 112 CA PRO A 112 271.773 229.368 263.135 1.00 0.00 C +ATOM 113 CA PHE A 113 272.078 225.665 262.289 1.00 0.00 C +ATOM 114 CA SER A 114 273.797 222.555 260.915 1.00 0.00 C +ATOM 115 CA ARG A 115 270.975 220.254 259.793 1.00 0.00 C +ATOM 116 CA ALA A 116 268.783 222.357 257.492 1.00 0.00 C +ATOM 117 CA LYS A 117 270.361 223.686 254.289 1.00 0.00 C +ATOM 118 CA ALA A 118 272.666 221.216 252.527 1.00 0.00 C +ATOM 119 CA THR A 119 274.391 217.891 251.830 1.00 0.00 C +ATOM 120 CA LYS A 120 276.387 215.079 250.209 1.00 0.00 C +ATOM 121 CA ALA A 121 280.181 215.341 249.977 1.00 0.00 C +ATOM 122 CA GLN A 122 283.911 215.783 249.342 1.00 0.00 C +ATOM 123 CA VAL A 123 284.474 214.765 245.714 1.00 0.00 C +ATOM 124 CA GLN A 124 286.618 213.484 242.836 1.00 0.00 C +ATOM 125 CA PRO A 125 288.589 210.467 241.600 1.00 0.00 C +ATOM 126 CA SER A 126 288.698 209.893 237.835 1.00 0.00 C +ATOM 127 CA SER A 127 290.892 207.462 235.889 1.00 0.00 C +ATOM 128 CA LEU A 128 288.798 205.339 233.518 1.00 0.00 C +ATOM 129 CA LEU A 129 285.538 203.557 234.365 1.00 0.00 C +ATOM 130 CA ILE A 130 281.825 204.032 233.654 1.00 0.00 C +ATOM 131 CA PRO A 131 279.527 207.067 233.804 1.00 0.00 C +TER 132 PRO A 131 +END diff --git a/Fungi/A0A6A6E0B0/A0A6A6E0B0.dcd b/Fungi/A0A6A6E0B0/A0A6A6E0B0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..07b1a2b14ad4202487ccf31a6414203675b89a3a --- /dev/null +++ b/Fungi/A0A6A6E0B0/A0A6A6E0B0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b8f25d978c0007acbb830b28baaf0292d7a3c4ca01c8edd41ff71f8daf3c4c76 +size 13640276 diff --git a/Fungi/A0A6A6E0B0/top.pdb b/Fungi/A0A6A6E0B0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f4622aa8ecc40be3d3e8acfbee4a0875cb30e788 --- /dev/null +++ b/Fungi/A0A6A6E0B0/top.pdb @@ -0,0 +1,111 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 275.719 224.064 284.468 1.00 0.00 C +ATOM 2 CA ARG A 2 277.521 223.586 281.146 1.00 0.00 C +ATOM 3 CA GLY A 3 275.770 225.755 278.549 1.00 0.00 C +ATOM 4 CA TYR A 4 274.293 229.230 278.036 1.00 0.00 C +ATOM 5 CA ARG A 5 276.935 231.960 278.330 1.00 0.00 C +ATOM 6 CA ALA A 6 279.849 234.343 277.740 1.00 0.00 C +ATOM 7 CA GLU A 7 278.573 237.781 278.771 1.00 0.00 C +ATOM 8 CA PRO A 8 275.336 238.822 277.053 1.00 0.00 C +ATOM 9 CA TRP A 9 275.083 241.619 274.479 1.00 0.00 C +ATOM 10 CA GLU A 10 275.228 244.150 271.634 1.00 0.00 C +ATOM 11 CA SER A 11 271.993 243.823 269.648 1.00 0.00 C +ATOM 12 CA PRO A 12 270.761 244.992 266.238 1.00 0.00 C +ATOM 13 CA ARG A 13 270.885 245.730 262.502 1.00 0.00 C +ATOM 14 CA GLU A 14 270.824 243.453 259.449 1.00 0.00 C +ATOM 15 CA PRO A 15 268.476 242.890 256.501 1.00 0.00 C +ATOM 16 CA GLU A 16 265.144 244.716 256.216 1.00 0.00 C +ATOM 17 CA ARG A 17 262.228 245.547 258.523 1.00 0.00 C +ATOM 18 CA ALA A 18 261.033 243.466 261.482 1.00 0.00 C +ATOM 19 CA SER A 19 259.437 240.774 263.654 1.00 0.00 C +ATOM 20 CA GLN A 20 259.226 237.004 263.139 1.00 0.00 C +ATOM 21 CA LYS A 21 257.603 234.705 260.571 1.00 0.00 C +ATOM 22 CA GLN A 22 254.743 232.217 260.191 1.00 0.00 C +ATOM 23 CA LEU A 23 256.056 228.687 259.618 1.00 0.00 C +ATOM 24 CA ARG A 24 258.506 228.740 256.701 1.00 0.00 C +ATOM 25 CA PRO A 25 259.691 230.145 253.363 1.00 0.00 C +ATOM 26 CA LYS A 26 258.780 230.705 249.707 1.00 0.00 C +ATOM 27 CA ARG A 27 256.263 233.276 248.450 1.00 0.00 C +ATOM 28 CA GLN A 28 256.002 236.596 250.299 1.00 0.00 C +ATOM 29 CA ASP A 29 257.572 239.692 251.870 1.00 0.00 C +ATOM 30 CA ARG A 30 261.327 239.049 251.848 1.00 0.00 C +ATOM 31 CA GLN A 31 264.262 237.484 249.990 1.00 0.00 C +ATOM 32 CA GLN A 32 267.336 235.233 249.973 1.00 0.00 C +ATOM 33 CA ARG A 33 270.439 237.346 250.626 1.00 0.00 C +ATOM 34 CA GLN A 34 273.880 236.000 249.698 1.00 0.00 C +ATOM 35 CA ASP A 35 275.934 233.384 247.840 1.00 0.00 C +ATOM 36 CA ARG A 36 276.633 232.636 244.170 1.00 0.00 C +ATOM 37 CA HIS A 37 273.370 233.051 242.246 1.00 0.00 C +ATOM 38 CA GLN A 38 272.217 233.831 238.700 1.00 0.00 C +ATOM 39 CA ARG A 39 273.799 234.151 235.249 1.00 0.00 C +ATOM 40 CA GLN A 40 274.382 234.209 231.485 1.00 0.00 C +ATOM 41 CA ASP A 41 275.971 237.433 230.219 1.00 0.00 C +ATOM 42 CA ARG A 42 273.480 240.314 230.307 1.00 0.00 C +ATOM 43 CA GLN A 43 271.603 242.995 232.259 1.00 0.00 C +ATOM 44 CA GLN A 44 270.813 246.504 231.002 1.00 0.00 C +ATOM 45 CA ARG A 45 271.061 250.083 229.719 1.00 0.00 C +ATOM 46 CA GLN A 46 273.056 250.725 226.537 1.00 0.00 C +ATOM 47 CA ASP A 47 273.229 251.124 222.752 1.00 0.00 C +ATOM 48 CA SER A 48 270.996 253.585 220.890 1.00 0.00 C +ATOM 49 CA ASP A 49 270.979 257.395 220.888 1.00 0.00 C +ATOM 50 CA ARG A 50 272.080 260.413 218.840 1.00 0.00 C +ATOM 51 CA THR A 51 273.429 260.011 215.300 1.00 0.00 C +ATOM 52 CA ASP A 52 271.244 262.265 213.142 1.00 0.00 C +ATOM 53 CA ILE A 53 267.600 262.674 214.177 1.00 0.00 C +ATOM 54 CA SER A 54 263.840 263.175 213.820 1.00 0.00 C +ATOM 55 CA ASP A 55 261.713 260.561 215.596 1.00 0.00 C +ATOM 56 CA ARG A 56 259.304 261.614 218.355 1.00 0.00 C +ATOM 57 CA THR A 57 258.872 263.764 221.471 1.00 0.00 C +ATOM 58 CA ASP A 58 256.610 265.451 224.030 1.00 0.00 C +ATOM 59 CA SER A 59 254.332 265.378 227.083 1.00 0.00 C +ATOM 60 CA SER A 60 250.685 264.660 227.923 1.00 0.00 C +ATOM 61 CA ASP A 61 249.089 267.221 230.249 1.00 0.00 C +ATOM 62 CA ARG A 62 246.149 268.186 232.470 1.00 0.00 C +ATOM 63 CA ILE A 63 246.223 265.687 235.345 1.00 0.00 C +ATOM 64 CA ALA A 64 247.426 262.361 236.760 1.00 0.00 C +ATOM 65 CA THR A 65 250.408 260.010 236.450 1.00 0.00 C +ATOM 66 CA GLY A 66 250.860 257.860 233.337 1.00 0.00 C +ATOM 67 CA GLN A 67 247.791 255.845 232.319 1.00 0.00 C +ATOM 68 CA THR A 68 245.054 253.202 232.123 1.00 0.00 C +ATOM 69 CA ALA A 69 241.489 252.050 232.815 1.00 0.00 C +ATOM 70 CA ALA A 70 240.381 252.584 236.421 1.00 0.00 C +ATOM 71 CA THR A 71 237.004 251.135 237.426 1.00 0.00 C +ATOM 72 CA GLY A 72 236.765 251.225 241.227 1.00 0.00 C +ATOM 73 CA GLN A 73 235.442 254.544 242.551 1.00 0.00 C +ATOM 74 CA THR A 74 233.523 254.903 245.823 1.00 0.00 C +ATOM 75 CA ALA A 75 230.335 256.473 247.195 1.00 0.00 C +ATOM 76 CA ALA A 76 228.220 259.642 247.135 1.00 0.00 C +ATOM 77 CA THR A 77 227.229 263.114 245.918 1.00 0.00 C +ATOM 78 CA GLY A 78 225.328 262.497 242.675 1.00 0.00 C +ATOM 79 CA GLN A 79 222.861 259.605 242.410 1.00 0.00 C +ATOM 80 CA THR A 80 220.074 259.820 244.999 1.00 0.00 C +ATOM 81 CA ALA A 81 220.365 257.399 247.927 1.00 0.00 C +ATOM 82 CA THR A 82 219.399 253.719 248.134 1.00 0.00 C +ATOM 83 CA GLY A 83 221.606 251.098 249.800 1.00 0.00 C +ATOM 84 CA GLN A 84 220.113 249.603 252.970 1.00 0.00 C +ATOM 85 CA THR A 85 218.262 246.299 253.387 1.00 0.00 C +ATOM 86 CA SER A 86 216.884 245.355 256.811 1.00 0.00 C +ATOM 87 CA ALA A 87 215.868 243.995 260.222 1.00 0.00 C +ATOM 88 CA THR A 88 214.832 246.892 262.468 1.00 0.00 C +ATOM 89 CA GLY A 89 214.798 250.150 260.492 1.00 0.00 C +ATOM 90 CA GLN A 90 213.219 251.249 257.204 1.00 0.00 C +ATOM 91 CA THR A 91 209.927 253.164 257.102 1.00 0.00 C +ATOM 92 CA SER A 92 210.058 256.854 256.163 1.00 0.00 C +ATOM 93 CA ALA A 93 211.191 260.046 257.908 1.00 0.00 C +ATOM 94 CA THR A 94 212.701 259.132 261.285 1.00 0.00 C +ATOM 95 CA GLY A 95 214.132 261.580 263.830 1.00 0.00 C +ATOM 96 CA GLN A 96 213.045 263.159 267.123 1.00 0.00 C +ATOM 97 CA THR A 97 214.529 266.535 268.079 1.00 0.00 C +ATOM 98 CA SER A 98 218.225 267.414 268.357 1.00 0.00 C +ATOM 99 CA ALA A 99 220.061 266.488 271.565 1.00 0.00 C +ATOM 100 CA THR A 100 222.587 264.147 273.193 1.00 0.00 C +ATOM 101 CA GLY A 101 223.935 264.353 276.750 1.00 0.00 C +ATOM 102 CA GLN A 102 227.641 264.970 277.380 1.00 0.00 C +ATOM 103 CA THR A 103 229.305 267.895 279.167 1.00 0.00 C +ATOM 104 CA SER A 104 231.323 270.982 278.210 1.00 0.00 C +ATOM 105 CA ALA A 105 230.048 274.502 278.916 1.00 0.00 C +ATOM 106 CA THR A 106 230.395 278.243 278.287 1.00 0.00 C +ATOM 107 CA GLY A 107 229.889 281.848 277.160 1.00 0.00 C +TER 108 GLY A 107 +END diff --git a/Fungi/A0A6A6GH67/A0A6A6GH67.dcd b/Fungi/A0A6A6GH67/A0A6A6GH67.dcd new file mode 100644 index 0000000000000000000000000000000000000000..29e981e79e13904d94cd1dc93831e05b4c70564a --- /dev/null +++ b/Fungi/A0A6A6GH67/A0A6A6GH67.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c13feceb4332798b175ed7b5befd2b9484f4b5fad7d62a062bbcb9083a009716 +size 16880276 diff --git a/Fungi/A0A6A6GH67/top.pdb b/Fungi/A0A6A6GH67/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2391ba307ac2607fef7ee5fcbdca5a86c0d2628e --- /dev/null +++ b/Fungi/A0A6A6GH67/top.pdb @@ -0,0 +1,138 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 310.500 214.316 276.775 1.00 0.00 C +ATOM 2 CA ASN A 2 308.154 215.565 279.505 1.00 0.00 C +ATOM 3 CA PRO A 3 308.240 218.798 281.519 1.00 0.00 C +ATOM 4 CA PRO A 4 309.027 222.240 282.950 1.00 0.00 C +ATOM 5 CA THR A 5 306.535 224.748 284.372 1.00 0.00 C +ATOM 6 CA PRO A 6 305.223 227.488 286.671 1.00 0.00 C +ATOM 7 CA PRO A 7 305.716 231.032 285.363 1.00 0.00 C +ATOM 8 CA SER A 8 307.075 231.028 281.803 1.00 0.00 C +ATOM 9 CA LEU A 9 309.673 230.027 279.202 1.00 0.00 C +ATOM 10 CA LEU A 10 309.949 229.086 275.521 1.00 0.00 C +ATOM 11 CA GLN A 11 311.681 225.839 274.536 1.00 0.00 C +ATOM 12 CA GLN A 12 314.289 224.384 276.901 1.00 0.00 C +ATOM 13 CA THR A 13 315.546 227.277 279.039 1.00 0.00 C +ATOM 14 CA ARG A 14 316.415 228.810 282.416 1.00 0.00 C +ATOM 15 CA PRO A 15 317.766 232.360 282.122 1.00 0.00 C +ATOM 16 CA HIS A 16 316.699 235.978 281.584 1.00 0.00 C +ATOM 17 CA LEU A 17 316.129 237.809 284.876 1.00 0.00 C +ATOM 18 CA ARG A 18 313.426 239.904 286.556 1.00 0.00 C +ATOM 19 CA PRO A 19 310.114 238.626 287.939 1.00 0.00 C +ATOM 20 CA VAL A 20 308.590 239.192 291.385 1.00 0.00 C +ATOM 21 CA SER A 21 307.050 236.799 293.918 1.00 0.00 C +ATOM 22 CA THR A 22 304.257 234.346 294.752 1.00 0.00 C +ATOM 23 CA THR A 23 301.718 233.666 291.994 1.00 0.00 C +ATOM 24 CA LEU A 24 299.786 230.582 290.866 1.00 0.00 C +ATOM 25 CA ARG A 25 296.787 231.925 288.938 1.00 0.00 C +ATOM 26 CA HIS A 26 293.231 231.530 287.629 1.00 0.00 C +ATOM 27 CA SER A 27 290.932 228.515 288.008 1.00 0.00 C +ATOM 28 CA PRO A 28 288.989 228.083 284.759 1.00 0.00 C +ATOM 29 CA PRO A 29 285.442 229.438 285.071 1.00 0.00 C +ATOM 30 CA HIS A 30 283.280 228.245 282.169 1.00 0.00 C +ATOM 31 CA SER A 31 279.527 228.893 282.248 1.00 0.00 C +ATOM 32 CA ALA A 32 278.132 230.122 278.922 1.00 0.00 C +ATOM 33 CA THR A 33 276.909 227.299 276.674 1.00 0.00 C +ATOM 34 CA PRO A 34 277.933 223.878 278.001 1.00 0.00 C +ATOM 35 CA LEU A 35 280.965 221.795 277.009 1.00 0.00 C +ATOM 36 CA LEU A 36 282.413 218.350 277.749 1.00 0.00 C +ATOM 37 CA ASN A 37 283.990 215.622 279.891 1.00 0.00 C +ATOM 38 CA PRO A 38 287.631 214.691 279.263 1.00 0.00 C +ATOM 39 CA ALA A 39 291.401 214.966 279.741 1.00 0.00 C +ATOM 40 CA SER A 40 293.386 217.712 281.483 1.00 0.00 C +ATOM 41 CA SER A 41 292.058 221.108 282.586 1.00 0.00 C +ATOM 42 CA PRO A 42 294.345 224.044 281.770 1.00 0.00 C +ATOM 43 CA ALA A 43 296.679 223.442 278.819 1.00 0.00 C +ATOM 44 CA LEU A 44 297.995 224.247 275.335 1.00 0.00 C +ATOM 45 CA SER A 45 296.650 223.387 271.876 1.00 0.00 C +ATOM 46 CA ARG A 46 293.482 223.578 269.768 1.00 0.00 C +ATOM 47 CA PRO A 47 293.272 222.689 266.069 1.00 0.00 C +ATOM 48 CA ARG A 48 290.388 220.749 264.510 1.00 0.00 C +ATOM 49 CA GLN A 49 287.290 222.889 263.927 1.00 0.00 C +ATOM 50 CA SER A 50 285.320 225.849 262.557 1.00 0.00 C +ATOM 51 CA ARG A 51 286.604 229.432 262.718 1.00 0.00 C +ATOM 52 CA GLN A 52 287.513 231.725 259.815 1.00 0.00 C +ATOM 53 CA GLN A 53 287.893 235.234 258.379 1.00 0.00 C +ATOM 54 CA ARG A 54 289.472 238.597 257.534 1.00 0.00 C +ATOM 55 CA THR A 55 288.181 241.562 255.520 1.00 0.00 C +ATOM 56 CA ASN A 56 285.238 243.054 253.616 1.00 0.00 C +ATOM 57 CA PRO A 57 281.667 244.380 253.547 1.00 0.00 C +ATOM 58 CA PRO A 58 278.462 243.097 255.159 1.00 0.00 C +ATOM 59 CA SER A 59 275.480 245.212 254.086 1.00 0.00 C +ATOM 60 CA LYS A 60 274.222 248.318 255.898 1.00 0.00 C +ATOM 61 CA PRO A 61 272.339 250.215 258.613 1.00 0.00 C +ATOM 62 CA PRO A 62 269.216 252.328 258.067 1.00 0.00 C +ATOM 63 CA SER A 63 266.827 255.268 258.468 1.00 0.00 C +ATOM 64 CA ARG A 64 263.095 255.992 258.728 1.00 0.00 C +ATOM 65 CA HIS A 65 260.146 256.930 256.506 1.00 0.00 C +ATOM 66 CA ASP A 66 256.682 255.345 256.433 1.00 0.00 C +ATOM 67 CA LYS A 67 254.193 255.478 259.315 1.00 0.00 C +ATOM 68 CA HIS A 68 250.483 254.888 259.948 1.00 0.00 C +ATOM 69 CA ASN A 69 248.005 251.996 260.057 1.00 0.00 C +ATOM 70 CA PRO A 70 244.333 251.378 260.866 1.00 0.00 C +ATOM 71 CA ASP A 71 241.651 252.088 263.477 1.00 0.00 C +ATOM 72 CA ARG A 72 241.105 255.853 263.678 1.00 0.00 C +ATOM 73 CA VAL A 73 239.638 259.355 263.359 1.00 0.00 C +ATOM 74 CA LYS A 74 238.657 262.525 265.231 1.00 0.00 C +ATOM 75 CA GLU A 75 236.883 265.849 264.664 1.00 0.00 C +ATOM 76 CA HIS A 76 237.479 266.857 261.038 1.00 0.00 C +ATOM 77 CA ALA A 77 237.661 267.245 257.252 1.00 0.00 C +ATOM 78 CA HIS A 78 240.787 266.456 255.222 1.00 0.00 C +ATOM 79 CA HIS A 79 240.725 267.404 251.532 1.00 0.00 C +ATOM 80 CA ARG A 80 237.573 268.516 249.704 1.00 0.00 C +ATOM 81 CA HIS A 81 234.788 266.026 248.955 1.00 0.00 C +ATOM 82 CA PRO A 82 231.764 265.148 251.099 1.00 0.00 C +ATOM 83 CA ASP A 83 229.102 264.864 253.811 1.00 0.00 C +ATOM 84 CA GLU A 84 227.495 264.704 257.262 1.00 0.00 C +ATOM 85 CA GLU A 85 225.094 267.622 257.746 1.00 0.00 C +ATOM 86 CA ALA A 86 221.813 268.709 259.349 1.00 0.00 C +ATOM 87 CA GLN A 87 219.104 271.363 258.977 1.00 0.00 C +ATOM 88 CA PRO A 88 216.846 271.744 255.932 1.00 0.00 C +ATOM 89 CA LEU A 89 215.879 272.990 252.464 1.00 0.00 C +ATOM 90 CA ARG A 90 215.022 271.169 249.229 1.00 0.00 C +ATOM 91 CA HIS A 91 213.228 272.910 246.354 1.00 0.00 C +ATOM 92 CA ARG A 92 211.163 271.163 243.670 1.00 0.00 C +ATOM 93 CA PRO A 93 211.040 267.750 241.982 1.00 0.00 C +ATOM 94 CA MET A 94 208.575 266.474 239.373 1.00 0.00 C +ATOM 95 CA GLU A 95 206.601 266.805 236.131 1.00 0.00 C +ATOM 96 CA THR A 96 208.641 268.109 233.189 1.00 0.00 C +ATOM 97 CA ARG A 97 208.090 270.037 229.949 1.00 0.00 C +ATOM 98 CA ARG A 98 205.502 271.722 227.718 1.00 0.00 C +ATOM 99 CA CYS A 99 206.311 274.540 225.285 1.00 0.00 C +ATOM 100 CA ASP A 100 208.163 274.512 221.955 1.00 0.00 C +ATOM 101 CA ASP A 101 206.681 276.402 218.998 1.00 0.00 C +ATOM 102 CA ASP A 102 203.575 277.107 216.907 1.00 0.00 C +ATOM 103 CA THR A 103 199.950 277.244 215.742 1.00 0.00 C +ATOM 104 CA SER A 104 197.447 275.650 213.353 1.00 0.00 C +ATOM 105 CA VAL A 105 194.377 277.599 212.216 1.00 0.00 C +ATOM 106 CA PRO A 106 192.063 275.126 210.473 1.00 0.00 C +ATOM 107 CA ARG A 107 189.500 273.244 208.373 1.00 0.00 C +ATOM 108 CA PRO A 108 188.699 275.034 205.107 1.00 0.00 C +ATOM 109 CA TRP A 109 189.431 278.722 205.724 1.00 0.00 C +ATOM 110 CA ARG A 110 191.499 280.211 202.891 1.00 0.00 C +ATOM 111 CA GLY A 111 190.998 278.740 199.412 1.00 0.00 C +ATOM 112 CA GLY A 112 190.231 280.449 196.095 1.00 0.00 C +ATOM 113 CA ALA A 113 190.327 283.549 193.882 1.00 0.00 C +ATOM 114 CA CYS A 114 193.841 284.942 193.406 1.00 0.00 C +ATOM 115 CA GLY A 115 196.588 282.987 195.181 1.00 0.00 C +ATOM 116 CA SER A 116 196.522 279.658 197.033 1.00 0.00 C +ATOM 117 CA SER A 117 195.579 276.910 194.568 1.00 0.00 C +ATOM 118 CA TRP A 118 193.449 274.940 192.099 1.00 0.00 C +ATOM 119 CA GLY A 119 190.435 273.714 194.081 1.00 0.00 C +ATOM 120 CA GLY A 120 187.780 273.798 196.812 1.00 0.00 C +ATOM 121 CA GLY A 121 184.067 274.345 197.472 1.00 0.00 C +ATOM 122 CA SER A 122 180.863 272.796 198.831 1.00 0.00 C +ATOM 123 CA GLY A 123 177.058 272.990 198.858 1.00 0.00 C +ATOM 124 CA GLY A 124 175.643 270.403 196.445 1.00 0.00 C +ATOM 125 CA ARG A 125 176.528 267.246 194.504 1.00 0.00 C +ATOM 126 CA ASP A 126 177.731 264.450 192.213 1.00 0.00 C +ATOM 127 CA VAL A 127 180.429 261.900 193.072 1.00 0.00 C +ATOM 128 CA GLY A 128 182.778 259.577 194.971 1.00 0.00 C +ATOM 129 CA GLY A 129 183.117 255.851 194.256 1.00 0.00 C +ATOM 130 CA SER A 130 185.107 252.880 195.572 1.00 0.00 C +ATOM 131 CA ALA A 131 186.150 253.171 199.225 1.00 0.00 C +ATOM 132 CA VAL A 132 186.145 251.459 202.629 1.00 0.00 C +ATOM 133 CA VAL A 133 188.248 248.295 202.334 1.00 0.00 C +ATOM 134 CA GLU A 134 188.745 244.735 201.071 1.00 0.00 C +TER 135 GLU A 134 +END diff --git a/Fungi/A0A6A6IHK3/A0A6A6IHK3.dcd b/Fungi/A0A6A6IHK3/A0A6A6IHK3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..ceb8ce38f9b1bdda85a18e9635aaba4b3e4faa91 --- /dev/null +++ b/Fungi/A0A6A6IHK3/A0A6A6IHK3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3044df95dc734ec925e1ee26e044b327d894bc9466bdd1732b06b1f04c935d75 +size 21920276 diff --git a/Fungi/A0A6A6IHK3/top.pdb b/Fungi/A0A6A6IHK3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c3510443c212f20ae45f7fe80ca6f0ad52cd8bf8 --- /dev/null +++ b/Fungi/A0A6A6IHK3/top.pdb @@ -0,0 +1,180 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 229.983 226.050 235.113 1.00 0.00 C +ATOM 2 CA GLN A 2 232.747 224.022 233.450 1.00 0.00 C +ATOM 3 CA VAL A 3 234.892 225.461 230.649 1.00 0.00 C +ATOM 4 CA ASP A 4 236.952 228.483 231.718 1.00 0.00 C +ATOM 5 CA ALA A 5 236.207 232.009 230.482 1.00 0.00 C +ATOM 6 CA ARG A 6 236.759 235.670 229.583 1.00 0.00 C +ATOM 7 CA ASP A 7 240.025 237.026 231.000 1.00 0.00 C +ATOM 8 CA SER A 8 242.267 239.669 229.418 1.00 0.00 C +ATOM 9 CA GLU A 9 245.810 240.310 230.663 1.00 0.00 C +ATOM 10 CA PRO A 10 247.769 238.395 233.311 1.00 0.00 C +ATOM 11 CA PRO A 11 247.308 235.143 235.242 1.00 0.00 C +ATOM 12 CA ALA A 12 246.780 233.040 238.375 1.00 0.00 C +ATOM 13 CA PRO A 13 247.287 231.028 241.570 1.00 0.00 C +ATOM 14 CA GLU A 14 245.705 227.562 241.583 1.00 0.00 C +ATOM 15 CA PRO A 15 248.666 225.164 241.544 1.00 0.00 C +ATOM 16 CA ARG A 16 251.335 222.877 243.015 1.00 0.00 C +ATOM 17 CA ASP A 17 254.780 224.117 244.067 1.00 0.00 C +ATOM 18 CA ALA A 18 256.473 225.575 247.154 1.00 0.00 C +ATOM 19 CA ALA A 19 258.687 227.211 249.787 1.00 0.00 C +ATOM 20 CA ARG A 20 258.619 226.527 253.535 1.00 0.00 C +ATOM 21 CA ARG A 21 258.426 226.726 257.335 1.00 0.00 C +ATOM 22 CA ALA A 22 259.342 225.450 260.806 1.00 0.00 C +ATOM 23 CA ALA A 23 261.527 224.255 263.689 1.00 0.00 C +ATOM 24 CA GLU A 24 264.963 223.559 262.197 1.00 0.00 C +ATOM 25 CA GLU A 25 266.289 219.995 261.950 1.00 0.00 C +ATOM 26 CA SER A 26 268.216 216.710 261.865 1.00 0.00 C +ATOM 27 CA GLU A 27 271.988 216.803 262.399 1.00 0.00 C +ATOM 28 CA VAL A 28 273.780 217.338 265.718 1.00 0.00 C +ATOM 29 CA ALA A 29 275.809 215.150 268.086 1.00 0.00 C +ATOM 30 CA ARG A 30 278.224 213.053 270.156 1.00 0.00 C +ATOM 31 CA PHE A 31 278.234 209.324 269.375 1.00 0.00 C +ATOM 32 CA SER A 32 279.825 206.601 271.514 1.00 0.00 C +ATOM 33 CA ARG A 33 280.788 203.439 269.619 1.00 0.00 C +ATOM 34 CA ARG A 34 283.321 203.784 266.794 1.00 0.00 C +ATOM 35 CA HIS A 35 283.290 207.018 264.780 1.00 0.00 C +ATOM 36 CA GLU A 36 280.999 209.656 263.261 1.00 0.00 C +ATOM 37 CA ALA A 37 277.441 208.676 262.315 1.00 0.00 C +ATOM 38 CA PRO A 38 274.563 206.849 260.614 1.00 0.00 C +ATOM 39 CA THR A 39 271.127 208.416 261.121 1.00 0.00 C +ATOM 40 CA PRO A 40 269.562 208.595 264.590 1.00 0.00 C +ATOM 41 CA ALA A 41 268.552 211.664 266.609 1.00 0.00 C +ATOM 42 CA ASP A 42 267.196 213.980 269.313 1.00 0.00 C +ATOM 43 CA GLU A 43 264.301 215.180 271.479 1.00 0.00 C +ATOM 44 CA PRO A 44 264.234 218.299 273.666 1.00 0.00 C +ATOM 45 CA PRO A 45 263.011 217.525 277.191 1.00 0.00 C +ATOM 46 CA LEU A 46 262.087 215.157 280.029 1.00 0.00 C +ATOM 47 CA PRO A 47 261.180 211.529 280.755 1.00 0.00 C +ATOM 48 CA ALA A 48 263.688 208.888 279.635 1.00 0.00 C +ATOM 49 CA GLU A 49 267.271 209.336 278.419 1.00 0.00 C +ATOM 50 CA PRO A 50 268.581 212.202 276.278 1.00 0.00 C +ATOM 51 CA ASP A 51 270.996 215.147 276.395 1.00 0.00 C +ATOM 52 CA PRO A 52 269.875 218.379 278.072 1.00 0.00 C +ATOM 53 CA ALA A 53 268.637 220.999 280.545 1.00 0.00 C +ATOM 54 CA PRO A 54 269.910 223.966 282.569 1.00 0.00 C +ATOM 55 CA ALA A 55 270.333 227.211 280.617 1.00 0.00 C +ATOM 56 CA PRO A 56 270.702 227.001 276.831 1.00 0.00 C +ATOM 57 CA ARG A 57 271.862 228.347 273.461 1.00 0.00 C +ATOM 58 CA PRO A 58 273.765 228.336 270.160 1.00 0.00 C +ATOM 59 CA GLU A 59 271.958 227.934 266.830 1.00 0.00 C +ATOM 60 CA THR A 60 273.006 226.064 263.680 1.00 0.00 C +ATOM 61 CA GLU A 61 273.340 224.895 260.069 1.00 0.00 C +ATOM 62 CA VAL A 62 271.417 226.401 257.145 1.00 0.00 C +ATOM 63 CA GLU A 63 267.654 226.959 257.367 1.00 0.00 C +ATOM 64 CA GLY A 64 266.349 228.556 254.164 1.00 0.00 C +ATOM 65 CA GLY A 65 268.231 228.201 250.871 1.00 0.00 C +ATOM 66 CA GLU A 66 265.920 228.267 247.842 1.00 0.00 C +ATOM 67 CA ARG A 67 264.462 229.564 244.570 1.00 0.00 C +ATOM 68 CA PRO A 68 260.655 229.711 244.556 1.00 0.00 C +ATOM 69 CA ARG A 69 259.431 231.673 241.528 1.00 0.00 C +ATOM 70 CA ALA A 70 261.420 234.911 241.256 1.00 0.00 C +ATOM 71 CA VAL A 71 262.981 237.843 243.123 1.00 0.00 C +ATOM 72 CA LEU A 72 260.669 240.832 243.606 1.00 0.00 C +ATOM 73 CA ILE A 73 259.021 244.025 244.874 1.00 0.00 C +ATOM 74 CA ASP A 74 255.293 244.810 244.910 1.00 0.00 C +ATOM 75 CA ASP A 75 252.462 246.389 246.912 1.00 0.00 C +ATOM 76 CA ALA A 76 249.873 248.879 245.645 1.00 0.00 C +ATOM 77 CA ALA A 77 249.255 249.627 241.960 1.00 0.00 C +ATOM 78 CA ALA A 78 248.695 252.140 239.152 1.00 0.00 C +ATOM 79 CA VAL A 79 246.799 250.550 236.255 1.00 0.00 C +ATOM 80 CA VAL A 80 244.562 247.868 234.732 1.00 0.00 C +ATOM 81 CA GLY A 81 242.055 246.290 232.336 1.00 0.00 C +ATOM 82 CA THR A 82 239.734 243.745 233.964 1.00 0.00 C +ATOM 83 CA GLN A 83 240.244 241.854 237.232 1.00 0.00 C +ATOM 84 CA SER A 84 242.333 240.877 240.265 1.00 0.00 C +ATOM 85 CA THR A 85 240.047 240.453 243.284 1.00 0.00 C +ATOM 86 CA SER A 86 236.507 239.108 243.704 1.00 0.00 C +ATOM 87 CA SER A 87 232.953 240.141 244.608 1.00 0.00 C +ATOM 88 CA ALA A 88 230.196 240.258 247.236 1.00 0.00 C +ATOM 89 CA GLU A 89 229.745 236.711 248.552 1.00 0.00 C +ATOM 90 CA ARG A 90 226.540 234.653 248.613 1.00 0.00 C +ATOM 91 CA ARG A 91 224.889 231.735 246.802 1.00 0.00 C +ATOM 92 CA GLU A 92 221.463 230.187 246.184 1.00 0.00 C +ATOM 93 CA ARG A 93 219.579 229.832 242.892 1.00 0.00 C +ATOM 94 CA ARG A 94 220.483 229.678 239.194 1.00 0.00 C +ATOM 95 CA ARG A 95 223.284 227.459 237.872 1.00 0.00 C +ATOM 96 CA THR A 96 223.951 227.857 234.142 1.00 0.00 C +ATOM 97 CA SER A 97 224.746 227.131 230.488 1.00 0.00 C +ATOM 98 CA ARG A 98 222.298 228.071 227.724 1.00 0.00 C +ATOM 99 CA ARG A 99 220.019 230.929 226.648 1.00 0.00 C +ATOM 100 CA VAL A 100 218.767 234.249 225.261 1.00 0.00 C +ATOM 101 CA SER A 101 219.982 236.504 222.441 1.00 0.00 C +ATOM 102 CA ILE A 102 218.548 239.990 222.999 1.00 0.00 C +ATOM 103 CA ALA A 103 218.416 242.708 225.665 1.00 0.00 C +ATOM 104 CA GLU A 104 215.469 242.566 228.076 1.00 0.00 C +ATOM 105 CA HIS A 105 212.103 244.205 228.785 1.00 0.00 C +ATOM 106 CA ASP A 106 209.866 244.393 231.864 1.00 0.00 C +ATOM 107 CA ARG A 107 209.213 247.951 233.058 1.00 0.00 C +ATOM 108 CA PRO A 108 210.135 251.553 232.226 1.00 0.00 C +ATOM 109 CA LYS A 109 212.026 254.547 233.633 1.00 0.00 C +ATOM 110 CA SER A 110 215.578 255.900 233.895 1.00 0.00 C +ATOM 111 CA ARG A 111 218.428 253.409 234.327 1.00 0.00 C +ATOM 112 CA ARG A 112 220.727 251.246 236.462 1.00 0.00 C +ATOM 113 CA ILE A 113 224.511 251.125 236.886 1.00 0.00 C +ATOM 114 CA SER A 114 227.230 251.991 234.362 1.00 0.00 C +ATOM 115 CA VAL A 115 230.058 249.460 234.699 1.00 0.00 C +ATOM 116 CA THR A 116 233.377 250.763 236.040 1.00 0.00 C +ATOM 117 CA GLU A 117 233.284 251.449 239.786 1.00 0.00 C +ATOM 118 CA LYS A 118 233.624 254.324 242.264 1.00 0.00 C +ATOM 119 CA GLU A 119 234.653 255.882 245.585 1.00 0.00 C +ATOM 120 CA ARG A 120 237.374 258.542 245.783 1.00 0.00 C +ATOM 121 CA PRO A 121 237.238 261.328 243.188 1.00 0.00 C +ATOM 122 CA VAL A 122 237.530 263.894 240.387 1.00 0.00 C +ATOM 123 CA SER A 123 234.372 265.861 239.568 1.00 0.00 C +ATOM 124 CA ARG A 124 231.328 268.047 240.253 1.00 0.00 C +ATOM 125 CA ARG A 125 232.490 270.657 242.774 1.00 0.00 C +ATOM 126 CA THR A 126 234.070 273.557 244.674 1.00 0.00 C +ATOM 127 CA GLU A 127 237.563 274.592 243.557 1.00 0.00 C +ATOM 128 CA SER A 128 237.463 276.781 240.440 1.00 0.00 C +ATOM 129 CA ASP A 129 238.434 279.391 237.840 1.00 0.00 C +ATOM 130 CA ARG A 130 235.886 282.203 237.496 1.00 0.00 C +ATOM 131 CA PRO A 131 235.447 284.603 240.422 1.00 0.00 C +ATOM 132 CA ARG A 132 238.445 286.674 241.536 1.00 0.00 C +ATOM 133 CA THR A 133 241.372 288.074 239.539 1.00 0.00 C +ATOM 134 CA ARG A 134 244.568 290.142 239.694 1.00 0.00 C +ATOM 135 CA GLY A 135 245.324 292.133 242.854 1.00 0.00 C +ATOM 136 CA ASN A 136 248.693 293.809 243.448 1.00 0.00 C +ATOM 137 CA GLY A 137 251.595 293.275 241.039 1.00 0.00 C +ATOM 138 CA GLU A 138 253.222 289.877 240.467 1.00 0.00 C +ATOM 139 CA GLU A 139 255.575 287.667 238.444 1.00 0.00 C +ATOM 140 CA ARG A 140 259.127 286.297 238.292 1.00 0.00 C +ATOM 141 CA PRO A 141 261.412 288.964 239.770 1.00 0.00 C +ATOM 142 CA PRO A 142 261.451 292.591 240.935 1.00 0.00 C +ATOM 143 CA ARG A 143 258.075 294.342 241.161 1.00 0.00 C +ATOM 144 CA PRO A 144 258.269 298.125 240.750 1.00 0.00 C +ATOM 145 CA ARG A 145 258.013 301.879 240.154 1.00 0.00 C +ATOM 146 CA ARG A 146 257.462 305.642 240.397 1.00 0.00 C +ATOM 147 CA SER A 147 255.413 307.683 237.917 1.00 0.00 C +ATOM 148 CA ASP A 148 255.022 311.159 239.427 1.00 0.00 C +ATOM 149 CA THR A 149 257.255 314.246 239.377 1.00 0.00 C +ATOM 150 CA GLU A 150 260.905 315.147 239.993 1.00 0.00 C +ATOM 151 CA ARG A 151 262.326 315.070 243.527 1.00 0.00 C +ATOM 152 CA SER A 152 262.560 313.556 247.015 1.00 0.00 C +ATOM 153 CA SER A 153 262.116 316.077 249.838 1.00 0.00 C +ATOM 154 CA ARG A 154 258.716 315.237 251.339 1.00 0.00 C +ATOM 155 CA HIS A 155 257.121 312.437 249.306 1.00 0.00 C +ATOM 156 CA LYS A 156 255.596 308.946 249.328 1.00 0.00 C +ATOM 157 CA LYS A 157 256.960 306.083 251.439 1.00 0.00 C +ATOM 158 CA LYS A 158 257.734 304.395 254.766 1.00 0.00 C +ATOM 159 CA ASP A 159 260.769 303.216 256.745 1.00 0.00 C +ATOM 160 CA ASP A 160 260.474 299.434 257.100 1.00 0.00 C +ATOM 161 CA GLY A 161 260.850 297.941 260.585 1.00 0.00 C +ATOM 162 CA GLY A 162 258.626 298.644 263.598 1.00 0.00 C +ATOM 163 CA ALA A 163 256.992 295.648 265.292 1.00 0.00 C +ATOM 164 CA MET A 164 257.003 291.956 266.235 1.00 0.00 C +ATOM 165 CA LYS A 165 255.272 288.752 267.355 1.00 0.00 C +ATOM 166 CA GLY A 166 255.514 284.959 267.623 1.00 0.00 C +ATOM 167 CA PHE A 167 258.193 283.465 269.884 1.00 0.00 C +ATOM 168 CA PHE A 168 257.489 282.877 273.581 1.00 0.00 C +ATOM 169 CA GLY A 169 257.443 280.001 276.080 1.00 0.00 C +ATOM 170 CA SER A 170 257.264 276.207 275.784 1.00 0.00 C +ATOM 171 CA LEU A 171 253.565 275.361 275.448 1.00 0.00 C +ATOM 172 CA LYS A 172 250.657 277.153 277.136 1.00 0.00 C +ATOM 173 CA ARG A 173 250.726 280.653 278.638 1.00 0.00 C +ATOM 174 CA MET A 174 248.825 283.762 277.525 1.00 0.00 C +ATOM 175 CA VAL A 175 247.460 285.223 280.767 1.00 0.00 C +ATOM 176 CA ALA A 176 245.902 288.597 279.929 1.00 0.00 C +TER 177 ALA A 176 +END diff --git a/Fungi/A0A6A6JTD3/A0A6A6JTD3.dcd b/Fungi/A0A6A6JTD3/A0A6A6JTD3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a2a84e4a641d210cb9f5b7756da4dac2b912702c --- /dev/null +++ b/Fungi/A0A6A6JTD3/A0A6A6JTD3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5868e6e2f3dc02125b21ba0ccfa07bb3882aa1ed91fff8fa3ce1925ce71c15fc +size 10880276 diff --git a/Fungi/A0A6A6JTD3/top.pdb b/Fungi/A0A6A6JTD3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..465bb0db43900530c9dd52239307c37e2601b797 --- /dev/null +++ b/Fungi/A0A6A6JTD3/top.pdb @@ -0,0 +1,88 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 266.111 211.071 209.922 1.00 0.00 C +ATOM 2 CA SER A 2 265.009 210.666 206.297 1.00 0.00 C +ATOM 3 CA SER A 3 265.707 208.630 203.153 1.00 0.00 C +ATOM 4 CA ARG A 4 265.184 205.128 201.747 1.00 0.00 C +ATOM 5 CA SER A 5 262.454 203.471 203.824 1.00 0.00 C +ATOM 6 CA SER A 6 262.309 203.525 207.631 1.00 0.00 C +ATOM 7 CA SER A 7 261.619 201.706 210.906 1.00 0.00 C +ATOM 8 CA THR A 8 258.407 200.722 212.705 1.00 0.00 C +ATOM 9 CA TYR A 9 254.927 202.076 213.462 1.00 0.00 C +ATOM 10 CA GLY A 10 255.566 205.623 214.697 1.00 0.00 C +ATOM 11 CA SER A 11 255.378 209.163 216.096 1.00 0.00 C +ATOM 12 CA SER A 12 253.823 210.112 219.442 1.00 0.00 C +ATOM 13 CA SER A 13 252.822 212.329 222.374 1.00 0.00 C +ATOM 14 CA THR A 14 255.318 212.775 225.218 1.00 0.00 C +ATOM 15 CA GLN A 15 254.651 212.288 228.938 1.00 0.00 C +ATOM 16 CA ASP A 16 253.678 209.843 231.693 1.00 0.00 C +ATOM 17 CA LYS A 17 249.914 209.294 231.484 1.00 0.00 C +ATOM 18 CA GLY A 18 246.951 209.792 229.141 1.00 0.00 C +ATOM 19 CA ALA A 19 245.204 213.116 229.788 1.00 0.00 C +ATOM 20 CA TYR A 20 246.163 216.696 228.903 1.00 0.00 C +ATOM 21 CA VAL A 21 249.858 217.411 228.315 1.00 0.00 C +ATOM 22 CA ARG A 22 251.029 219.525 231.260 1.00 0.00 C +ATOM 23 CA PRO A 23 248.026 220.591 233.350 1.00 0.00 C +ATOM 24 CA SER A 24 245.040 222.755 232.393 1.00 0.00 C +ATOM 25 CA SER A 25 241.358 223.160 233.283 1.00 0.00 C +ATOM 26 CA SER A 26 240.045 226.711 232.854 1.00 0.00 C +ATOM 27 CA ARG A 27 239.801 228.274 236.320 1.00 0.00 C +ATOM 28 CA SER A 28 238.050 227.088 239.489 1.00 0.00 C +ATOM 29 CA SER A 29 236.266 228.806 242.385 1.00 0.00 C +ATOM 30 CA ALA A 30 235.029 232.048 243.957 1.00 0.00 C +ATOM 31 CA SER A 31 237.420 234.357 245.819 1.00 0.00 C +ATOM 32 CA THR A 32 239.325 237.005 247.787 1.00 0.00 C +ATOM 33 CA ALA A 33 240.188 239.772 250.260 1.00 0.00 C +ATOM 34 CA SER A 34 240.675 243.340 251.504 1.00 0.00 C +ATOM 35 CA TYR A 35 244.028 245.149 251.540 1.00 0.00 C +ATOM 36 CA SER A 36 243.662 247.898 248.927 1.00 0.00 C +ATOM 37 CA SER A 37 241.311 250.567 250.292 1.00 0.00 C +ATOM 38 CA SER A 38 242.612 252.441 253.344 1.00 0.00 C +ATOM 39 CA GLY A 39 242.107 256.148 254.062 1.00 0.00 C +ATOM 40 CA SER A 40 244.959 258.533 254.898 1.00 0.00 C +ATOM 41 CA ALA A 41 248.718 258.096 255.338 1.00 0.00 C +ATOM 42 CA ALA A 42 251.435 260.178 257.011 1.00 0.00 C +ATOM 43 CA TYR A 43 254.831 260.757 258.638 1.00 0.00 C +ATOM 44 CA SER A 44 257.134 262.194 255.964 1.00 0.00 C +ATOM 45 CA SER A 45 259.233 260.954 253.037 1.00 0.00 C +ATOM 46 CA SER A 46 256.768 259.390 250.589 1.00 0.00 C +ATOM 47 CA SER A 47 252.983 259.000 250.396 1.00 0.00 C +ATOM 48 CA SER A 48 250.566 261.817 249.533 1.00 0.00 C +ATOM 49 CA ARG A 49 250.026 264.153 252.494 1.00 0.00 C +ATOM 50 CA GLY A 50 247.392 265.187 255.046 1.00 0.00 C +ATOM 51 CA TYR A 51 247.586 268.236 257.322 1.00 0.00 C +ATOM 52 CA ARG A 52 250.803 269.481 258.939 1.00 0.00 C +ATOM 53 CA SER A 53 254.452 268.801 259.798 1.00 0.00 C +ATOM 54 CA LYS A 54 257.748 268.182 257.990 1.00 0.00 C +ATOM 55 CA ASN A 55 261.367 268.558 256.861 1.00 0.00 C +ATOM 56 CA TYR A 56 264.617 270.068 258.155 1.00 0.00 C +ATOM 57 CA LYS A 57 266.234 270.743 261.538 1.00 0.00 C +ATOM 58 CA PRO A 58 263.539 271.298 264.173 1.00 0.00 C +ATOM 59 CA PRO A 59 262.292 268.377 266.276 1.00 0.00 C +ATOM 60 CA VAL A 60 258.870 269.241 267.710 1.00 0.00 C +ATOM 61 CA ILE A 61 258.213 272.926 268.424 1.00 0.00 C +ATOM 62 CA HIS A 62 255.804 275.125 266.457 1.00 0.00 C +ATOM 63 CA ASN A 63 252.917 276.714 268.369 1.00 0.00 C +ATOM 64 CA GLY A 64 251.279 277.518 271.714 1.00 0.00 C +ATOM 65 CA GLY A 65 253.353 278.630 274.711 1.00 0.00 C +ATOM 66 CA GLY A 66 256.945 277.385 274.455 1.00 0.00 C +ATOM 67 CA GLN A 67 260.447 275.942 274.865 1.00 0.00 C +ATOM 68 CA THR A 68 263.344 277.786 276.515 1.00 0.00 C +ATOM 69 CA ASN A 69 263.254 278.637 280.228 1.00 0.00 C +ATOM 70 CA ASP A 70 261.199 280.864 282.537 1.00 0.00 C +ATOM 71 CA PRO A 71 257.908 282.373 281.351 1.00 0.00 C +ATOM 72 CA ASN A 72 255.125 284.415 282.964 1.00 0.00 C +ATOM 73 CA THR A 73 252.192 286.408 281.570 1.00 0.00 C +ATOM 74 CA SER A 74 248.398 286.167 281.317 1.00 0.00 C +ATOM 75 CA THR A 75 245.469 288.561 281.774 1.00 0.00 C +ATOM 76 CA SER A 76 241.803 289.049 280.857 1.00 0.00 C +ATOM 77 CA ALA A 77 238.506 288.957 278.950 1.00 0.00 C +ATOM 78 CA PRO A 78 237.659 289.975 275.378 1.00 0.00 C +ATOM 79 CA ASN A 79 233.889 289.523 275.059 1.00 0.00 C +ATOM 80 CA ALA A 80 230.367 289.993 273.684 1.00 0.00 C +ATOM 81 CA GLY A 81 227.184 291.711 274.878 1.00 0.00 C +ATOM 82 CA TYR A 82 223.754 292.084 276.496 1.00 0.00 C +ATOM 83 CA TYR A 83 221.835 290.971 279.593 1.00 0.00 C +ATOM 84 CA ASN A 84 220.579 293.968 281.583 1.00 0.00 C +TER 85 ASN A 84 +END diff --git a/Fungi/A0A6A6PZF4/A0A6A6PZF4.dcd b/Fungi/A0A6A6PZF4/A0A6A6PZF4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..cf0614c7e3a04fec8d80765af7b1aca44016feda --- /dev/null +++ b/Fungi/A0A6A6PZF4/A0A6A6PZF4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:57aee08a9a2c01f4ae15602bd9d162862a947fe731369362d2f3b62ace9ffc12 +size 14360276 diff --git a/Fungi/A0A6A6PZF4/top.pdb b/Fungi/A0A6A6PZF4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..044ea8a37a142eea28eb6006fdd17dd0250475a8 --- /dev/null +++ b/Fungi/A0A6A6PZF4/top.pdb @@ -0,0 +1,117 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 226.051 303.005 278.185 1.00 0.00 C +ATOM 2 CA SER A 2 226.273 304.279 274.601 1.00 0.00 C +ATOM 3 CA ASN A 3 226.437 305.417 270.969 1.00 0.00 C +ATOM 4 CA GLN A 4 224.818 303.292 268.253 1.00 0.00 C +ATOM 5 CA ASN A 5 223.406 304.150 264.819 1.00 0.00 C +ATOM 6 CA SER A 6 223.732 307.795 263.758 1.00 0.00 C +ATOM 7 CA SER A 7 225.439 310.337 261.492 1.00 0.00 C +ATOM 8 CA SER A 8 229.121 309.373 261.320 1.00 0.00 C +ATOM 9 CA TYR A 9 231.544 307.114 263.202 1.00 0.00 C +ATOM 10 CA SER A 10 230.829 304.498 265.878 1.00 0.00 C +ATOM 11 CA SER A 11 231.563 300.789 265.410 1.00 0.00 C +ATOM 12 CA TYR A 12 230.218 299.386 262.133 1.00 0.00 C +ATOM 13 CA SER A 13 231.470 295.789 262.012 1.00 0.00 C +ATOM 14 CA SER A 14 231.967 293.569 258.956 1.00 0.00 C +ATOM 15 CA VAL A 15 234.735 291.119 258.032 1.00 0.00 C +ATOM 16 CA SER A 16 236.284 287.974 256.542 1.00 0.00 C +ATOM 17 CA TYR A 17 234.849 284.676 255.284 1.00 0.00 C +ATOM 18 CA SER A 18 236.692 281.527 256.379 1.00 0.00 C +ATOM 19 CA SER A 19 234.004 279.055 257.466 1.00 0.00 C +ATOM 20 CA SER A 20 231.274 276.470 256.854 1.00 0.00 C +ATOM 21 CA SER A 21 230.293 273.280 255.015 1.00 0.00 C +ATOM 22 CA ASN A 22 232.481 270.330 254.003 1.00 0.00 C +ATOM 23 CA VAL A 23 235.718 268.555 253.059 1.00 0.00 C +ATOM 24 CA ASN A 24 235.005 264.861 253.660 1.00 0.00 C +ATOM 25 CA GLY A 25 232.952 261.857 252.533 1.00 0.00 C +ATOM 26 CA GLU A 26 229.416 262.348 251.201 1.00 0.00 C +ATOM 27 CA GLN A 27 227.203 259.676 252.775 1.00 0.00 C +ATOM 28 CA VAL A 28 224.649 258.937 255.504 1.00 0.00 C +ATOM 29 CA SER A 29 224.410 256.540 258.455 1.00 0.00 C +ATOM 30 CA GLY A 30 226.228 258.198 261.364 1.00 0.00 C +ATOM 31 CA SER A 31 228.374 261.265 260.656 1.00 0.00 C +ATOM 32 CA ARG A 32 226.442 264.352 261.777 1.00 0.00 C +ATOM 33 CA HIS A 33 223.105 265.558 263.164 1.00 0.00 C +ATOM 34 CA ALA A 34 221.748 267.519 266.136 1.00 0.00 C +ATOM 35 CA GLN A 35 223.868 269.192 268.824 1.00 0.00 C +ATOM 36 CA THR A 36 225.092 272.546 270.154 1.00 0.00 C +ATOM 37 CA SER A 37 227.674 274.951 271.589 1.00 0.00 C +ATOM 38 CA HIS A 38 230.177 274.633 274.444 1.00 0.00 C +ATOM 39 CA THR A 39 233.286 272.745 273.313 1.00 0.00 C +ATOM 40 CA ASP A 40 232.705 271.436 269.783 1.00 0.00 C +ATOM 41 CA PRO A 41 235.455 268.971 268.845 1.00 0.00 C +ATOM 42 CA SER A 42 238.901 267.756 269.923 1.00 0.00 C +ATOM 43 CA GLY A 43 239.890 268.542 273.517 1.00 0.00 C +ATOM 44 CA THR A 44 242.689 268.861 276.082 1.00 0.00 C +ATOM 45 CA THR A 45 245.747 268.687 278.348 1.00 0.00 C +ATOM 46 CA VAL A 46 247.922 267.488 281.237 1.00 0.00 C +ATOM 47 CA SER A 47 251.537 266.292 281.389 1.00 0.00 C +ATOM 48 CA THR A 48 251.810 262.526 280.881 1.00 0.00 C +ATOM 49 CA ALA A 49 248.629 260.808 279.680 1.00 0.00 C +ATOM 50 CA SER A 50 246.414 262.660 277.194 1.00 0.00 C +ATOM 51 CA GLN A 51 245.291 260.409 274.333 1.00 0.00 C +ATOM 52 CA ASN A 52 241.550 259.733 274.066 1.00 0.00 C +ATOM 53 CA LEU A 53 239.959 257.415 271.495 1.00 0.00 C +ATOM 54 CA GLY A 54 240.425 256.400 267.852 1.00 0.00 C +ATOM 55 CA GLU A 55 242.002 253.529 265.906 1.00 0.00 C +ATOM 56 CA PRO A 56 245.671 252.713 265.280 1.00 0.00 C +ATOM 57 CA VAL A 57 249.344 253.723 265.293 1.00 0.00 C +ATOM 58 CA ILE A 58 251.246 255.233 262.358 1.00 0.00 C +ATOM 59 CA ARG A 59 250.233 254.539 258.751 1.00 0.00 C +ATOM 60 CA GLU A 60 252.681 254.113 255.862 1.00 0.00 C +ATOM 61 CA GLN A 61 254.268 255.935 252.917 1.00 0.00 C +ATOM 62 CA ARG A 62 258.052 255.551 253.130 1.00 0.00 C +ATOM 63 CA HIS A 63 260.812 255.638 250.504 1.00 0.00 C +ATOM 64 CA PHE A 64 262.202 252.671 248.559 1.00 0.00 C +ATOM 65 CA ASP A 65 263.610 250.969 245.455 1.00 0.00 C +ATOM 66 CA SER A 66 264.861 247.382 245.748 1.00 0.00 C +ATOM 67 CA GLN A 67 268.652 247.288 245.382 1.00 0.00 C +ATOM 68 CA GLY A 68 269.920 243.789 246.198 1.00 0.00 C +ATOM 69 CA ARG A 69 273.323 242.588 247.420 1.00 0.00 C +ATOM 70 CA GLU A 70 276.573 244.311 248.413 1.00 0.00 C +ATOM 71 CA GLN A 71 280.226 243.582 249.210 1.00 0.00 C +ATOM 72 CA LEU A 72 280.235 239.912 250.232 1.00 0.00 C +ATOM 73 CA GLY A 73 277.900 237.060 249.267 1.00 0.00 C +ATOM 74 CA GLY A 74 274.658 235.329 248.264 1.00 0.00 C +ATOM 75 CA PRO A 75 273.301 233.140 251.072 1.00 0.00 C +ATOM 76 CA GLN A 76 271.997 230.364 253.331 1.00 0.00 C +ATOM 77 CA GLY A 77 270.679 227.690 250.958 1.00 0.00 C +ATOM 78 CA ALA A 78 268.978 224.285 251.106 1.00 0.00 C +ATOM 79 CA THR A 79 267.617 223.067 247.762 1.00 0.00 C +ATOM 80 CA ALA A 80 264.211 221.583 248.607 1.00 0.00 C +ATOM 81 CA SER A 81 261.469 224.154 247.984 1.00 0.00 C +ATOM 82 CA ARG A 82 258.363 225.596 246.314 1.00 0.00 C +ATOM 83 CA ARG A 83 255.173 223.889 245.121 1.00 0.00 C +ATOM 84 CA ILE A 84 255.911 222.349 241.716 1.00 0.00 C +ATOM 85 CA GLU A 85 257.117 218.755 241.340 1.00 0.00 C +ATOM 86 CA ASP A 86 260.411 218.610 239.430 1.00 0.00 C +ATOM 87 CA VAL A 87 262.912 215.797 240.021 1.00 0.00 C +ATOM 88 CA ASP A 88 262.012 212.524 238.291 1.00 0.00 C +ATOM 89 CA GLU A 89 265.068 210.959 236.640 1.00 0.00 C +ATOM 90 CA GLU A 90 267.860 209.620 238.860 1.00 0.00 C +ATOM 91 CA GLN A 91 271.340 209.717 240.408 1.00 0.00 C +ATOM 92 CA ALA A 92 274.739 208.168 241.157 1.00 0.00 C +ATOM 93 CA ARG A 93 277.550 210.405 239.888 1.00 0.00 C +ATOM 94 CA ARG A 94 276.718 212.009 236.534 1.00 0.00 C +ATOM 95 CA ASP A 95 276.159 213.017 232.903 1.00 0.00 C +ATOM 96 CA ARG A 96 276.215 211.276 229.514 1.00 0.00 C +ATOM 97 CA GLU A 97 273.402 212.474 227.240 1.00 0.00 C +ATOM 98 CA TYR A 98 272.879 210.906 223.807 1.00 0.00 C +ATOM 99 CA GLU A 99 272.291 208.585 220.844 1.00 0.00 C +ATOM 100 CA GLU A 100 273.610 210.543 217.852 1.00 0.00 C +ATOM 101 CA ARG A 101 273.602 210.698 214.046 1.00 0.00 C +ATOM 102 CA ILE A 102 271.650 208.576 211.555 1.00 0.00 C +ATOM 103 CA GLU A 103 271.803 208.407 207.752 1.00 0.00 C +ATOM 104 CA GLU A 104 269.297 210.391 205.677 1.00 0.00 C +ATOM 105 CA GLU A 105 265.588 209.683 206.181 1.00 0.00 C +ATOM 106 CA TYR A 106 264.308 206.471 204.581 1.00 0.00 C +ATOM 107 CA ALA A 107 262.526 203.551 202.904 1.00 0.00 C +ATOM 108 CA LYS A 108 260.669 203.078 199.611 1.00 0.00 C +ATOM 109 CA ARG A 109 257.972 200.418 199.204 1.00 0.00 C +ATOM 110 CA GLU A 110 259.576 197.070 198.346 1.00 0.00 C +ATOM 111 CA GLY A 111 260.477 196.356 194.714 1.00 0.00 C +ATOM 112 CA GLY A 112 259.574 196.743 191.032 1.00 0.00 C +ATOM 113 CA ALA A 113 260.757 198.274 187.750 1.00 0.00 C +TER 114 ALA A 113 +END diff --git a/Fungi/A0A6A6S5L9/A0A6A6S5L9.dcd b/Fungi/A0A6A6S5L9/A0A6A6S5L9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..230ad77e14f9d79b018c04b74a26e8525c880322 --- /dev/null +++ b/Fungi/A0A6A6S5L9/A0A6A6S5L9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6dfdd0f173c9a1ba3063afb2ea20405e80a2d553c37b290c69ac1c4f354f7e91 +size 8360276 diff --git a/Fungi/A0A6A6S5L9/top.pdb b/Fungi/A0A6A6S5L9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..63a37f6428f46219d6ab6797cce81b1d7778abad --- /dev/null +++ b/Fungi/A0A6A6S5L9/top.pdb @@ -0,0 +1,67 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 231.290 296.965 251.338 1.00 0.00 C +ATOM 2 CA ALA A 2 229.098 294.230 249.845 1.00 0.00 C +ATOM 3 CA VAL A 3 227.171 291.786 247.646 1.00 0.00 C +ATOM 4 CA VAL A 4 226.627 288.021 247.434 1.00 0.00 C +ATOM 5 CA SER A 5 228.729 286.033 249.913 1.00 0.00 C +ATOM 6 CA PRO A 6 228.922 285.204 253.627 1.00 0.00 C +ATOM 7 CA SER A 7 231.536 282.728 254.871 1.00 0.00 C +ATOM 8 CA LEU A 8 231.518 279.014 254.021 1.00 0.00 C +ATOM 9 CA PHE A 9 233.339 276.995 251.352 1.00 0.00 C +ATOM 10 CA ARG A 10 235.594 274.567 253.234 1.00 0.00 C +ATOM 11 CA GLU A 11 238.636 272.540 252.161 1.00 0.00 C +ATOM 12 CA VAL A 12 239.058 269.524 254.450 1.00 0.00 C +ATOM 13 CA SER A 13 237.653 269.029 257.956 1.00 0.00 C +ATOM 14 CA GLY A 14 234.272 267.349 258.473 1.00 0.00 C +ATOM 15 CA ARG A 15 232.196 265.047 260.688 1.00 0.00 C +ATOM 16 CA ARG A 16 231.812 261.568 259.183 1.00 0.00 C +ATOM 17 CA SER A 17 234.019 259.152 261.135 1.00 0.00 C +ATOM 18 CA PRO A 18 237.084 261.224 262.047 1.00 0.00 C +ATOM 19 CA PRO A 19 239.546 260.397 264.835 1.00 0.00 C +ATOM 20 CA ALA A 20 240.450 258.320 267.899 1.00 0.00 C +ATOM 21 CA ARG A 21 243.409 256.489 269.450 1.00 0.00 C +ATOM 22 CA ALA A 22 245.301 253.272 270.216 1.00 0.00 C +ATOM 23 CA SER A 23 246.253 249.746 271.302 1.00 0.00 C +ATOM 24 CA GLN A 24 249.739 248.425 270.513 1.00 0.00 C +ATOM 25 CA GLU A 25 251.721 246.717 267.744 1.00 0.00 C +ATOM 26 CA TYR A 26 252.391 248.045 264.237 1.00 0.00 C +ATOM 27 CA GLY A 27 250.010 247.390 261.336 1.00 0.00 C +ATOM 28 CA GLN A 28 248.689 246.605 257.850 1.00 0.00 C +ATOM 29 CA TYR A 29 249.759 245.044 254.543 1.00 0.00 C +ATOM 30 CA ALA A 30 248.277 245.961 251.155 1.00 0.00 C +ATOM 31 CA GLY A 31 248.294 244.031 247.870 1.00 0.00 C +ATOM 32 CA THR A 32 249.244 240.369 248.322 1.00 0.00 C +ATOM 33 CA GLY A 33 252.423 239.136 246.622 1.00 0.00 C +ATOM 34 CA GLN A 34 255.238 241.029 248.358 1.00 0.00 C +ATOM 35 CA ARG A 35 258.061 239.999 250.700 1.00 0.00 C +ATOM 36 CA PRO A 36 260.154 237.398 248.865 1.00 0.00 C +ATOM 37 CA ALA A 37 263.332 235.541 247.880 1.00 0.00 C +ATOM 38 CA SER A 38 265.539 232.496 247.270 1.00 0.00 C +ATOM 39 CA GLN A 39 269.280 231.868 247.625 1.00 0.00 C +ATOM 40 CA ASP A 40 272.972 232.591 248.227 1.00 0.00 C +ATOM 41 CA LYS A 41 273.336 235.048 251.116 1.00 0.00 C +ATOM 42 CA LEU A 42 272.491 234.464 254.785 1.00 0.00 C +ATOM 43 CA GLY A 43 268.911 233.300 255.371 1.00 0.00 C +ATOM 44 CA LEU A 44 265.286 233.809 254.313 1.00 0.00 C +ATOM 45 CA GLY A 45 261.754 232.380 254.272 1.00 0.00 C +ATOM 46 CA THR A 46 260.684 229.534 251.976 1.00 0.00 C +ATOM 47 CA GLU A 47 261.090 227.381 248.860 1.00 0.00 C +ATOM 48 CA ARG A 48 262.226 224.427 246.738 1.00 0.00 C +ATOM 49 CA PRO A 49 260.560 224.673 243.320 1.00 0.00 C +ATOM 50 CA SER A 50 260.255 228.380 242.496 1.00 0.00 C +ATOM 51 CA TYR A 51 260.408 229.582 238.884 1.00 0.00 C +ATOM 52 CA ASN A 52 261.039 231.871 235.905 1.00 0.00 C +ATOM 53 CA SER A 53 263.570 233.702 233.723 1.00 0.00 C +ATOM 54 CA LEU A 54 265.684 236.868 233.870 1.00 0.00 C +ATOM 55 CA HIS A 55 263.912 240.130 233.011 1.00 0.00 C +ATOM 56 CA ARG A 56 260.544 241.904 233.173 1.00 0.00 C +ATOM 57 CA LEU A 57 256.955 241.475 234.378 1.00 0.00 C +ATOM 58 CA GLY A 58 255.626 237.905 234.374 1.00 0.00 C +ATOM 59 CA LEU A 59 251.988 237.906 233.244 1.00 0.00 C +ATOM 60 CA GLY A 60 250.882 237.520 229.618 1.00 0.00 C +ATOM 61 CA ARG A 61 252.462 236.720 226.244 1.00 0.00 C +ATOM 62 CA HIS A 62 254.055 239.066 223.700 1.00 0.00 C +ATOM 63 CA ARG A 63 257.646 240.107 224.433 1.00 0.00 C +TER 64 ARG A 63 +END diff --git a/Fungi/A0A6A6USQ7/A0A6A6USQ7.dcd b/Fungi/A0A6A6USQ7/A0A6A6USQ7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e72417016b311f5d5ca12526d93b6f59af43c0b9 --- /dev/null +++ b/Fungi/A0A6A6USQ7/A0A6A6USQ7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d3e64b9b37e7de5aefabdab666864a46b1f1b88136948da9f0a8b01260185e0b +size 7640276 diff --git a/Fungi/A0A6A6USQ7/top.pdb b/Fungi/A0A6A6USQ7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..6eda41dadeb13097ce2f82f7469778f36a855361 --- /dev/null +++ b/Fungi/A0A6A6USQ7/top.pdb @@ -0,0 +1,61 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 266.278 248.202 237.104 1.00 0.00 C +ATOM 2 CA PRO A 2 265.617 250.178 233.914 1.00 0.00 C +ATOM 3 CA HIS A 3 266.755 251.180 230.418 1.00 0.00 C +ATOM 4 CA SER A 4 270.106 252.399 229.079 1.00 0.00 C +ATOM 5 CA TYR A 5 270.357 256.201 229.073 1.00 0.00 C +ATOM 6 CA THR A 6 269.912 257.961 232.422 1.00 0.00 C +ATOM 7 CA PRO A 7 267.185 256.633 234.728 1.00 0.00 C +ATOM 8 CA GLN A 8 266.083 257.191 238.332 1.00 0.00 C +ATOM 9 CA GLN A 9 262.794 258.269 239.924 1.00 0.00 C +ATOM 10 CA GLU A 10 261.395 259.356 243.297 1.00 0.00 C +ATOM 11 CA ASP A 11 261.442 260.312 246.985 1.00 0.00 C +ATOM 12 CA GLU A 12 260.249 258.402 250.058 1.00 0.00 C +ATOM 13 CA LEU A 13 260.550 258.995 253.809 1.00 0.00 C +ATOM 14 CA SER A 14 257.858 260.537 256.021 1.00 0.00 C +ATOM 15 CA ARG A 15 256.274 257.783 258.123 1.00 0.00 C +ATOM 16 CA ARG A 16 255.991 254.422 256.353 1.00 0.00 C +ATOM 17 CA LYS A 17 254.746 251.015 255.185 1.00 0.00 C +ATOM 18 CA SER A 18 255.125 249.648 251.649 1.00 0.00 C +ATOM 19 CA ASN A 19 255.479 248.279 248.111 1.00 0.00 C +ATOM 20 CA SER A 20 255.674 251.374 245.898 1.00 0.00 C +ATOM 21 CA ILE A 21 257.928 252.748 243.151 1.00 0.00 C +ATOM 22 CA ASN A 22 260.734 250.540 241.824 1.00 0.00 C +ATOM 23 CA LEU A 23 259.951 248.837 238.507 1.00 0.00 C +ATOM 24 CA SER A 24 257.184 246.232 238.238 1.00 0.00 C +ATOM 25 CA ASN A 25 256.413 243.853 241.112 1.00 0.00 C +ATOM 26 CA PRO A 26 252.856 243.047 242.214 1.00 0.00 C +ATOM 27 CA ASN A 27 250.941 243.851 245.408 1.00 0.00 C +ATOM 28 CA LYS A 28 248.834 246.203 247.541 1.00 0.00 C +ATOM 29 CA ALA A 29 248.482 247.020 251.246 1.00 0.00 C +ATOM 30 CA GLY A 30 246.582 249.847 252.952 1.00 0.00 C +ATOM 31 CA PRO A 31 243.240 248.528 254.221 1.00 0.00 C +ATOM 32 CA TYR A 32 240.993 245.573 253.366 1.00 0.00 C +ATOM 33 CA TYR A 33 242.138 243.393 250.458 1.00 0.00 C +ATOM 34 CA THR A 34 242.766 244.965 247.045 1.00 0.00 C +ATOM 35 CA PRO A 35 244.181 243.268 243.941 1.00 0.00 C +ATOM 36 CA PRO A 36 241.365 241.704 241.906 1.00 0.00 C +ATOM 37 CA PRO A 37 237.888 240.312 241.207 1.00 0.00 C +ATOM 38 CA ASP A 38 235.824 240.120 244.404 1.00 0.00 C +ATOM 39 CA SER A 39 233.591 241.402 247.212 1.00 0.00 C +ATOM 40 CA LYS A 40 233.166 243.072 250.610 1.00 0.00 C +ATOM 41 CA SER A 41 233.282 240.902 253.739 1.00 0.00 C +ATOM 42 CA GLN A 42 233.133 243.169 256.797 1.00 0.00 C +ATOM 43 CA ASP A 43 232.815 243.013 260.590 1.00 0.00 C +ATOM 44 CA ILE A 44 235.105 245.064 262.841 1.00 0.00 C +ATOM 45 CA ASN A 45 235.667 243.011 266.000 1.00 0.00 C +ATOM 46 CA VAL A 46 237.680 242.747 269.224 1.00 0.00 C +ATOM 47 CA HIS A 47 241.467 242.706 268.808 1.00 0.00 C +ATOM 48 CA ILE A 48 243.894 242.954 265.881 1.00 0.00 C +ATOM 49 CA LYS A 49 244.730 246.295 264.251 1.00 0.00 C +ATOM 50 CA PRO A 50 248.038 248.128 263.786 1.00 0.00 C +ATOM 51 CA GLN A 51 247.394 251.023 261.393 1.00 0.00 C +ATOM 52 CA ILE A 52 246.966 254.709 262.255 1.00 0.00 C +ATOM 53 CA ARG A 53 243.347 255.637 261.508 1.00 0.00 C +ATOM 54 CA LEU A 54 240.072 257.092 262.802 1.00 0.00 C +ATOM 55 CA GLN A 55 238.649 260.221 261.158 1.00 0.00 C +ATOM 56 CA PRO A 56 237.268 263.724 261.740 1.00 0.00 C +ATOM 57 CA HIS A 57 235.564 266.753 260.179 1.00 0.00 C +TER 58 HIS A 57 +END diff --git a/Fungi/A0A6A6YZ84/A0A6A6YZ84.dcd b/Fungi/A0A6A6YZ84/A0A6A6YZ84.dcd new file mode 100644 index 0000000000000000000000000000000000000000..7b5886443140bae04f7ed2ef22a95744762fad19 --- /dev/null +++ b/Fungi/A0A6A6YZ84/A0A6A6YZ84.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0a3845d4b29737312c2463f811da9420c7a30f11ccf57a7f3991beb639d3b7ba +size 9320276 diff --git a/Fungi/A0A6A6YZ84/top.pdb b/Fungi/A0A6A6YZ84/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3bca2634884db1894eda9375bdb341377493c1ba --- /dev/null +++ b/Fungi/A0A6A6YZ84/top.pdb @@ -0,0 +1,75 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 236.330 277.112 266.312 1.00 0.00 C +ATOM 2 CA GLN A 2 237.149 273.668 267.723 1.00 0.00 C +ATOM 3 CA GLN A 3 237.484 269.892 267.345 1.00 0.00 C +ATOM 4 CA SER A 4 239.829 267.258 265.903 1.00 0.00 C +ATOM 5 CA PHE A 5 242.344 267.082 263.047 1.00 0.00 C +ATOM 6 CA SER A 6 245.213 264.635 262.504 1.00 0.00 C +ATOM 7 CA PRO A 7 246.873 261.250 261.952 1.00 0.00 C +ATOM 8 CA PRO A 8 247.162 258.041 263.985 1.00 0.00 C +ATOM 9 CA ASP A 9 248.885 258.120 267.382 1.00 0.00 C +ATOM 10 CA GLU A 10 246.282 257.241 270.021 1.00 0.00 C +ATOM 11 CA THR A 11 247.324 253.884 271.491 1.00 0.00 C +ATOM 12 CA LEU A 12 247.631 250.091 271.662 1.00 0.00 C +ATOM 13 CA LYS A 13 248.227 247.473 274.365 1.00 0.00 C +ATOM 14 CA PRO A 14 250.960 246.585 276.867 1.00 0.00 C +ATOM 15 CA SER A 15 251.582 243.160 278.417 1.00 0.00 C +ATOM 16 CA LEU A 16 250.534 240.602 275.796 1.00 0.00 C +ATOM 17 CA ALA A 17 251.204 241.317 272.114 1.00 0.00 C +ATOM 18 CA VAL A 18 252.721 243.078 269.094 1.00 0.00 C +ATOM 19 CA GLU A 19 255.207 240.995 267.095 1.00 0.00 C +ATOM 20 CA PRO A 20 256.040 238.013 264.874 1.00 0.00 C +ATOM 21 CA GLU A 21 253.799 234.981 264.328 1.00 0.00 C +ATOM 22 CA HIS A 22 251.278 232.641 262.690 1.00 0.00 C +ATOM 23 CA TRP A 23 251.220 232.894 258.889 1.00 0.00 C +ATOM 24 CA MET A 24 253.874 235.488 258.023 1.00 0.00 C +ATOM 25 CA THR A 25 255.767 236.178 254.790 1.00 0.00 C +ATOM 26 CA ARG A 26 259.320 235.929 253.436 1.00 0.00 C +ATOM 27 CA LYS A 27 260.526 238.602 251.005 1.00 0.00 C +ATOM 28 CA LYS A 28 260.412 241.180 248.202 1.00 0.00 C +ATOM 29 CA GLN A 29 257.015 242.194 246.806 1.00 0.00 C +ATOM 30 CA ILE A 30 254.218 239.621 247.075 1.00 0.00 C +ATOM 31 CA GLN A 31 251.739 236.738 247.319 1.00 0.00 C +ATOM 32 CA PRO A 32 249.441 233.723 246.933 1.00 0.00 C +ATOM 33 CA ARG A 33 246.864 232.563 249.488 1.00 0.00 C +ATOM 34 CA ARG A 34 243.425 234.092 248.891 1.00 0.00 C +ATOM 35 CA VAL A 35 240.779 232.841 246.451 1.00 0.00 C +ATOM 36 CA VAL A 36 237.391 233.926 245.089 1.00 0.00 C +ATOM 37 CA THR A 37 234.829 236.312 243.584 1.00 0.00 C +ATOM 38 CA SER A 38 236.632 237.842 240.597 1.00 0.00 C +ATOM 39 CA SER A 39 239.828 238.144 238.544 1.00 0.00 C +ATOM 40 CA ARG A 40 241.979 241.266 238.916 1.00 0.00 C +ATOM 41 CA ASN A 41 241.100 243.829 236.238 1.00 0.00 C +ATOM 42 CA ASN A 42 239.816 247.268 235.218 1.00 0.00 C +ATOM 43 CA PRO A 43 239.888 249.211 231.941 1.00 0.00 C +ATOM 44 CA LYS A 44 242.390 251.160 229.831 1.00 0.00 C +ATOM 45 CA PRO A 45 243.800 250.324 226.391 1.00 0.00 C +ATOM 46 CA ILE A 46 247.578 250.254 226.882 1.00 0.00 C +ATOM 47 CA SER A 47 249.556 251.943 229.666 1.00 0.00 C +ATOM 48 CA TYR A 48 251.514 249.690 232.034 1.00 0.00 C +ATOM 49 CA ARG A 49 254.089 246.993 231.253 1.00 0.00 C +ATOM 50 CA GLY A 50 256.911 247.484 233.764 1.00 0.00 C +ATOM 51 CA GLY A 51 255.486 248.872 237.014 1.00 0.00 C +ATOM 52 CA LYS A 52 253.765 247.162 239.952 1.00 0.00 C +ATOM 53 CA LYS A 53 250.416 245.949 241.305 1.00 0.00 C +ATOM 54 CA ARG A 54 249.780 247.753 244.600 1.00 0.00 C +ATOM 55 CA LYS A 55 250.475 250.740 246.860 1.00 0.00 C +ATOM 56 CA GLU A 56 251.057 253.140 249.762 1.00 0.00 C +ATOM 57 CA ARG A 57 254.280 253.395 251.777 1.00 0.00 C +ATOM 58 CA GLU A 58 257.028 255.431 253.457 1.00 0.00 C +ATOM 59 CA LEU A 59 260.325 257.194 252.726 1.00 0.00 C +ATOM 60 CA GLU A 60 259.799 259.700 249.904 1.00 0.00 C +ATOM 61 CA THR A 61 259.310 263.413 249.204 1.00 0.00 C +ATOM 62 CA ASN A 62 258.834 265.512 246.060 1.00 0.00 C +ATOM 63 CA ASN A 63 259.111 268.415 243.609 1.00 0.00 C +ATOM 64 CA ARG A 64 261.050 267.128 240.592 1.00 0.00 C +ATOM 65 CA TYR A 65 260.022 268.181 237.078 1.00 0.00 C +ATOM 66 CA HIS A 66 258.117 266.358 234.328 1.00 0.00 C +ATOM 67 CA LEU A 67 258.021 265.006 230.767 1.00 0.00 C +ATOM 68 CA ALA A 68 256.452 261.822 229.383 1.00 0.00 C +ATOM 69 CA LYS A 69 252.912 262.593 228.204 1.00 0.00 C +ATOM 70 CA LEU A 70 250.723 264.193 230.880 1.00 0.00 C +ATOM 71 CA ASN A 71 247.078 263.236 230.315 1.00 0.00 C +TER 72 ASN A 71 +END diff --git a/Fungi/A0A6G1HMT5/A0A6G1HMT5.dcd b/Fungi/A0A6G1HMT5/A0A6G1HMT5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..6def1c9be611cc4c91fca3bbb71ab64f28b52be6 --- /dev/null +++ b/Fungi/A0A6G1HMT5/A0A6G1HMT5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0cd3aadae4b07ce22aee4b43032b98aa3e35934f5728b18ba9bb3e9562e9874f +size 16160276 diff --git a/Fungi/A0A6G1HMT5/top.pdb b/Fungi/A0A6G1HMT5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8e69da7f07bb061632199a05db99b8d6c50652a9 --- /dev/null +++ b/Fungi/A0A6G1HMT5/top.pdb @@ -0,0 +1,132 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ARG A 1 275.760 281.570 277.384 1.00 0.00 C +ATOM 2 CA GLN A 2 272.248 281.075 275.993 1.00 0.00 C +ATOM 3 CA ASN A 3 270.188 281.485 272.814 1.00 0.00 C +ATOM 4 CA ARG A 4 271.085 284.071 270.165 1.00 0.00 C +ATOM 5 CA THR A 5 269.201 285.556 267.204 1.00 0.00 C +ATOM 6 CA GLN A 6 265.764 284.644 265.837 1.00 0.00 C +ATOM 7 CA ALA A 7 263.561 285.171 262.774 1.00 0.00 C +ATOM 8 CA ASP A 8 259.865 284.370 262.310 1.00 0.00 C +ATOM 9 CA ASP A 9 256.475 285.483 260.974 1.00 0.00 C +ATOM 10 CA ASP A 10 256.709 287.806 257.963 1.00 0.00 C +ATOM 11 CA THR A 11 258.695 286.193 255.140 1.00 0.00 C +ATOM 12 CA ILE A 12 259.885 285.802 251.542 1.00 0.00 C +ATOM 13 CA LEU A 13 262.866 283.963 250.043 1.00 0.00 C +ATOM 14 CA LYS A 14 265.054 284.876 247.060 1.00 0.00 C +ATOM 15 CA GLY A 15 266.382 288.380 247.752 1.00 0.00 C +ATOM 16 CA LEU A 16 268.716 291.389 247.870 1.00 0.00 C +ATOM 17 CA PRO A 17 270.938 293.500 245.607 1.00 0.00 C +ATOM 18 CA ILE A 18 272.816 294.387 242.412 1.00 0.00 C +ATOM 19 CA ARG A 19 274.338 297.679 241.246 1.00 0.00 C +ATOM 20 CA GLN A 20 276.781 297.296 238.348 1.00 0.00 C +ATOM 21 CA TRP A 21 277.418 294.912 235.446 1.00 0.00 C +ATOM 22 CA ARG A 22 279.354 292.234 233.548 1.00 0.00 C +ATOM 23 CA GLU A 23 277.568 289.052 232.453 1.00 0.00 C +ATOM 24 CA SER A 24 274.825 286.410 232.554 1.00 0.00 C +ATOM 25 CA GLU A 25 273.778 282.761 232.225 1.00 0.00 C +ATOM 26 CA ALA A 26 271.251 279.988 232.891 1.00 0.00 C +ATOM 27 CA THR A 27 268.238 278.492 234.680 1.00 0.00 C +ATOM 28 CA ILE A 28 266.944 277.153 238.004 1.00 0.00 C +ATOM 29 CA GLY A 29 263.238 278.019 238.187 1.00 0.00 C +ATOM 30 CA ALA A 30 260.535 278.364 235.525 1.00 0.00 C +ATOM 31 CA PRO A 31 257.094 279.589 236.610 1.00 0.00 C +ATOM 32 CA PRO A 32 256.735 280.497 240.293 1.00 0.00 C +ATOM 33 CA PRO A 33 253.914 279.053 242.408 1.00 0.00 C +ATOM 34 CA ASP A 34 250.487 277.450 241.956 1.00 0.00 C +ATOM 35 CA PRO A 35 247.468 278.901 243.771 1.00 0.00 C +ATOM 36 CA THR A 36 244.424 276.622 244.002 1.00 0.00 C +ATOM 37 CA PRO A 37 240.718 275.739 243.971 1.00 0.00 C +ATOM 38 CA SER A 38 238.867 274.158 246.902 1.00 0.00 C +ATOM 39 CA THR A 39 239.081 273.695 250.678 1.00 0.00 C +ATOM 40 CA HIS A 40 242.468 272.604 252.039 1.00 0.00 C +ATOM 41 CA LYS A 41 245.483 271.475 250.003 1.00 0.00 C +ATOM 42 CA ALA A 42 247.096 268.265 251.273 1.00 0.00 C +ATOM 43 CA PRO A 43 247.201 264.770 249.759 1.00 0.00 C +ATOM 44 CA TRP A 44 249.704 262.149 248.584 1.00 0.00 C +ATOM 45 CA PRO A 45 252.202 260.431 250.892 1.00 0.00 C +ATOM 46 CA GLU A 46 255.879 260.208 251.863 1.00 0.00 C +ATOM 47 CA LEU A 47 259.082 261.492 253.478 1.00 0.00 C +ATOM 48 CA PRO A 48 261.374 258.994 255.216 1.00 0.00 C +ATOM 49 CA MET A 49 264.690 257.495 256.344 1.00 0.00 C +ATOM 50 CA PRO A 50 264.455 253.734 255.779 1.00 0.00 C +ATOM 51 CA ARG A 51 262.419 250.567 256.362 1.00 0.00 C +ATOM 52 CA ASP A 52 260.740 250.402 259.778 1.00 0.00 C +ATOM 53 CA SER A 53 258.743 247.159 259.893 1.00 0.00 C +ATOM 54 CA HIS A 54 259.098 243.490 260.856 1.00 0.00 C +ATOM 55 CA LEU A 55 259.751 239.741 261.040 1.00 0.00 C +ATOM 56 CA LEU A 56 257.434 237.163 262.622 1.00 0.00 C +ATOM 57 CA PRO A 57 258.085 233.723 264.124 1.00 0.00 C +ATOM 58 CA GLU A 58 258.038 230.903 266.686 1.00 0.00 C +ATOM 59 CA VAL A 59 256.396 227.543 267.410 1.00 0.00 C +ATOM 60 CA SER A 60 254.008 224.764 268.455 1.00 0.00 C +ATOM 61 CA GLN A 61 251.970 222.993 265.766 1.00 0.00 C +ATOM 62 CA GLN A 62 250.553 221.052 262.809 1.00 0.00 C +ATOM 63 CA LEU A 63 251.430 217.427 262.031 1.00 0.00 C +ATOM 64 CA LEU A 64 252.484 215.870 258.717 1.00 0.00 C +ATOM 65 CA ARG A 65 253.718 217.907 255.743 1.00 0.00 C +ATOM 66 CA ALA A 66 254.916 221.324 256.929 1.00 0.00 C +ATOM 67 CA ALA A 67 254.827 224.383 259.198 1.00 0.00 C +ATOM 68 CA ARG A 68 253.766 227.914 258.237 1.00 0.00 C +ATOM 69 CA ALA A 69 251.542 229.883 260.623 1.00 0.00 C +ATOM 70 CA GLY A 70 249.309 231.976 258.354 1.00 0.00 C +ATOM 71 CA ARG A 71 245.963 233.183 259.719 1.00 0.00 C +ATOM 72 CA ILE A 72 246.283 236.880 260.580 1.00 0.00 C +ATOM 73 CA TYR A 73 243.242 238.995 259.687 1.00 0.00 C +ATOM 74 CA LYS A 74 239.664 240.273 259.971 1.00 0.00 C +ATOM 75 CA PRO A 75 238.902 241.993 256.658 1.00 0.00 C +ATOM 76 CA PRO A 76 240.380 243.164 253.347 1.00 0.00 C +ATOM 77 CA SER A 77 239.216 241.721 250.019 1.00 0.00 C +ATOM 78 CA PRO A 78 241.172 241.020 246.825 1.00 0.00 C +ATOM 79 CA PRO A 79 241.707 244.343 245.038 1.00 0.00 C +ATOM 80 CA GLY A 80 239.988 247.144 246.965 1.00 0.00 C +ATOM 81 CA ASP A 81 236.190 246.912 246.758 1.00 0.00 C +ATOM 82 CA ASP A 82 234.173 248.553 243.974 1.00 0.00 C +ATOM 83 CA ASP A 83 234.488 252.350 243.984 1.00 0.00 C +ATOM 84 CA PRO A 84 231.902 255.058 244.688 1.00 0.00 C +ATOM 85 CA LEU A 85 233.362 257.672 247.044 1.00 0.00 C +ATOM 86 CA ASP A 86 235.221 257.677 250.370 1.00 0.00 C +ATOM 87 CA PRO A 87 235.430 254.582 252.582 1.00 0.00 C +ATOM 88 CA PRO A 88 233.250 251.865 251.039 1.00 0.00 C +ATOM 89 CA PRO A 89 229.697 253.239 251.043 1.00 0.00 C +ATOM 90 CA GLU A 90 226.161 251.904 250.561 1.00 0.00 C +ATOM 91 CA ASP A 91 224.522 249.649 247.964 1.00 0.00 C +ATOM 92 CA GLU A 92 223.694 245.934 248.141 1.00 0.00 C +ATOM 93 CA LYS A 93 221.575 243.047 246.844 1.00 0.00 C +ATOM 94 CA ASP A 94 219.883 239.728 247.644 1.00 0.00 C +ATOM 95 CA THR A 95 218.997 236.176 248.701 1.00 0.00 C +ATOM 96 CA GLU A 96 220.126 233.388 251.039 1.00 0.00 C +ATOM 97 CA PRO A 97 221.932 230.080 250.478 1.00 0.00 C +ATOM 98 CA PRO A 98 224.754 230.647 247.982 1.00 0.00 C +ATOM 99 CA ARG A 99 225.923 231.662 244.501 1.00 0.00 C +ATOM 100 CA GLY A 100 228.039 232.285 241.394 1.00 0.00 C +ATOM 101 CA PHE A 101 230.429 231.599 238.507 1.00 0.00 C +ATOM 102 CA THR A 102 233.739 229.790 239.049 1.00 0.00 C +ATOM 103 CA ALA A 103 233.254 227.942 242.345 1.00 0.00 C +ATOM 104 CA LYS A 104 230.558 225.368 243.136 1.00 0.00 C +ATOM 105 CA ARG A 105 232.026 221.866 243.452 1.00 0.00 C +ATOM 106 CA TRP A 106 230.648 220.444 246.707 1.00 0.00 C +ATOM 107 CA ALA A 107 232.624 221.412 249.817 1.00 0.00 C +ATOM 108 CA ALA A 108 235.957 222.919 250.883 1.00 0.00 C +ATOM 109 CA VAL A 109 238.885 225.340 251.164 1.00 0.00 C +ATOM 110 CA PRO A 110 242.082 227.266 251.933 1.00 0.00 C +ATOM 111 CA ARG A 111 245.601 227.310 253.392 1.00 0.00 C +ATOM 112 CA HIS A 112 248.679 225.254 252.487 1.00 0.00 C +ATOM 113 CA LEU A 113 251.069 223.372 250.193 1.00 0.00 C +ATOM 114 CA GLU A 114 253.079 225.137 247.480 1.00 0.00 C +ATOM 115 CA GLU A 115 255.434 222.715 245.719 1.00 0.00 C +ATOM 116 CA SER A 116 257.498 220.282 243.637 1.00 0.00 C +ATOM 117 CA GLU A 117 255.091 219.087 240.936 1.00 0.00 C +ATOM 118 CA GLN A 118 256.152 215.596 239.840 1.00 0.00 C +ATOM 119 CA GLU A 119 255.282 211.888 239.941 1.00 0.00 C +ATOM 120 CA TYR A 120 257.011 208.773 238.590 1.00 0.00 C +ATOM 121 CA LEU A 121 255.524 205.371 239.447 1.00 0.00 C +ATOM 122 CA ALA A 122 252.047 205.269 237.893 1.00 0.00 C +ATOM 123 CA LYS A 123 250.324 208.404 236.582 1.00 0.00 C +ATOM 124 CA ARG A 124 247.776 209.617 239.142 1.00 0.00 C +ATOM 125 CA ARG A 125 246.468 207.085 241.672 1.00 0.00 C +ATOM 126 CA ARG A 126 242.828 206.030 242.061 1.00 0.00 C +ATOM 127 CA GLY A 127 239.887 204.206 240.467 1.00 0.00 C +ATOM 128 CA LEU A 128 236.088 203.944 240.578 1.00 0.00 C +TER 129 LEU A 128 +END diff --git a/Fungi/A0A6G1IEX8/A0A6G1IEX8.dcd b/Fungi/A0A6G1IEX8/A0A6G1IEX8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c766aed637157afc53af33b213fc94ac24c3774b --- /dev/null +++ b/Fungi/A0A6G1IEX8/A0A6G1IEX8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:29be9a6baed0fd608b61875468ddb3a4bdfb216a484707aafd432ac593d015d6 +size 7640276 diff --git a/Fungi/A0A6G1IEX8/top.pdb b/Fungi/A0A6G1IEX8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c3dd8561a04cb15593e2e7c3b81cb44fa1a21881 --- /dev/null +++ b/Fungi/A0A6G1IEX8/top.pdb @@ -0,0 +1,61 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLU A 1 253.938 272.236 251.162 1.00 0.00 C +ATOM 2 CA GLU A 2 255.791 275.220 252.639 1.00 0.00 C +ATOM 3 CA GLU A 3 253.443 278.169 253.192 1.00 0.00 C +ATOM 4 CA GLU A 4 249.681 277.949 253.752 1.00 0.00 C +ATOM 5 CA GLU A 5 248.074 280.251 256.328 1.00 0.00 C +ATOM 6 CA GLU A 6 249.846 283.624 256.266 1.00 0.00 C +ATOM 7 CA GLU A 7 249.757 287.002 254.506 1.00 0.00 C +ATOM 8 CA GLU A 8 247.758 288.392 251.575 1.00 0.00 C +ATOM 9 CA GLU A 9 244.089 288.102 250.590 1.00 0.00 C +ATOM 10 CA GLU A 10 242.240 286.597 253.561 1.00 0.00 C +ATOM 11 CA GLU A 11 242.684 287.243 257.289 1.00 0.00 C +ATOM 12 CA GLU A 12 240.751 284.513 259.113 1.00 0.00 C +ATOM 13 CA GLU A 13 240.373 281.279 257.134 1.00 0.00 C +ATOM 14 CA GLU A 14 237.025 280.910 255.353 1.00 0.00 C +ATOM 15 CA GLU A 15 237.371 282.199 251.784 1.00 0.00 C +ATOM 16 CA GLU A 16 240.719 281.181 250.277 1.00 0.00 C +ATOM 17 CA GLU A 17 242.867 280.255 247.269 1.00 0.00 C +ATOM 18 CA GLU A 18 244.401 280.231 243.782 1.00 0.00 C +ATOM 19 CA GLU A 19 246.344 277.398 242.134 1.00 0.00 C +ATOM 20 CA GLU A 20 248.463 274.948 240.128 1.00 0.00 C +ATOM 21 CA GLU A 21 249.258 271.765 242.064 1.00 0.00 C +ATOM 22 CA GLU A 22 252.741 270.787 243.260 1.00 0.00 C +ATOM 23 CA GLU A 23 253.596 267.279 244.476 1.00 0.00 C +ATOM 24 CA GLU A 24 256.806 265.685 245.768 1.00 0.00 C +ATOM 25 CA GLU A 25 256.280 261.949 246.303 1.00 0.00 C +ATOM 26 CA GLU A 26 258.914 259.538 244.974 1.00 0.00 C +ATOM 27 CA GLU A 27 257.787 256.044 243.956 1.00 0.00 C +ATOM 28 CA GLU A 28 254.756 253.961 244.951 1.00 0.00 C +ATOM 29 CA GLU A 29 252.425 251.232 243.674 1.00 0.00 C +ATOM 30 CA GLU A 30 249.224 251.515 245.720 1.00 0.00 C +ATOM 31 CA GLU A 31 246.528 249.312 244.173 1.00 0.00 C +ATOM 32 CA GLU A 32 247.554 247.722 240.866 1.00 0.00 C +ATOM 33 CA GLU A 33 246.752 247.062 237.200 1.00 0.00 C +ATOM 34 CA GLU A 34 247.814 243.861 235.428 1.00 0.00 C +ATOM 35 CA GLU A 35 248.523 240.589 237.248 1.00 0.00 C +ATOM 36 CA GLU A 36 250.920 241.577 240.039 1.00 0.00 C +ATOM 37 CA GLU A 37 253.288 239.902 242.510 1.00 0.00 C +ATOM 38 CA GLU A 38 254.815 237.438 244.983 1.00 0.00 C +ATOM 39 CA GLU A 39 255.141 234.910 247.814 1.00 0.00 C +ATOM 40 CA LYS A 40 252.546 234.915 250.604 1.00 0.00 C +ATOM 41 CA GLU A 41 249.726 232.447 249.914 1.00 0.00 C +ATOM 42 CA GLU A 42 249.252 228.777 249.007 1.00 0.00 C +ATOM 43 CA GLU A 43 251.226 225.652 249.932 1.00 0.00 C +ATOM 44 CA GLU A 44 253.071 222.749 251.570 1.00 0.00 C +ATOM 45 CA ARG A 45 252.748 221.319 255.087 1.00 0.00 C +ATOM 46 CA LYS A 46 249.910 220.381 257.450 1.00 0.00 C +ATOM 47 CA LEU A 47 249.685 216.863 258.896 1.00 0.00 C +ATOM 48 CA PRO A 48 250.003 214.386 261.773 1.00 0.00 C +ATOM 49 CA ASN A 49 251.765 211.300 260.401 1.00 0.00 C +ATOM 50 CA SER A 50 254.275 208.478 259.893 1.00 0.00 C +ATOM 51 CA ILE A 51 252.665 205.443 258.246 1.00 0.00 C +ATOM 52 CA LEU A 52 253.242 203.853 254.832 1.00 0.00 C +ATOM 53 CA ASN A 53 256.174 201.447 255.196 1.00 0.00 C +ATOM 54 CA LEU A 54 256.263 197.873 253.880 1.00 0.00 C +ATOM 55 CA LYS A 55 255.807 194.255 254.983 1.00 0.00 C +ATOM 56 CA ASN A 56 253.215 194.333 257.774 1.00 0.00 C +ATOM 57 CA VAL A 57 249.687 195.700 257.321 1.00 0.00 C +TER 58 VAL A 57 +END diff --git a/Fungi/A0A6G1IF55/A0A6G1IF55.dcd b/Fungi/A0A6G1IF55/A0A6G1IF55.dcd new file mode 100644 index 0000000000000000000000000000000000000000..2e32fdcdc3989d235de81405ba1125cea46c339b --- /dev/null +++ b/Fungi/A0A6G1IF55/A0A6G1IF55.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1c5c1c4ab62b9283feb9a4e7abc48a69ead8f116249c6a13c7af9b1e6eb42cc6 +size 10280276 diff --git a/Fungi/A0A6G1IF55/top.pdb b/Fungi/A0A6G1IF55/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..bdc60ffe05ca4e09a3efbdd51da726937a2e4cd0 --- /dev/null +++ b/Fungi/A0A6G1IF55/top.pdb @@ -0,0 +1,83 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 280.996 226.069 244.407 1.00 0.00 C +ATOM 2 CA GLY A 2 278.548 227.056 247.155 1.00 0.00 C +ATOM 3 CA CYS A 3 279.171 230.535 248.577 1.00 0.00 C +ATOM 4 CA GLY A 4 281.921 232.538 250.291 1.00 0.00 C +ATOM 5 CA SER A 5 282.576 236.280 250.586 1.00 0.00 C +ATOM 6 CA SER A 6 283.714 239.912 250.414 1.00 0.00 C +ATOM 7 CA LYS A 7 286.849 240.713 248.402 1.00 0.00 C +ATOM 8 CA GLN A 8 290.475 241.315 247.399 1.00 0.00 C +ATOM 9 CA ALA A 9 292.884 239.580 245.011 1.00 0.00 C +ATOM 10 CA TYR A 10 293.951 240.752 241.547 1.00 0.00 C +ATOM 11 CA ASP A 11 294.089 242.873 238.385 1.00 0.00 C +ATOM 12 CA TYR A 12 292.116 242.178 235.200 1.00 0.00 C +ATOM 13 CA PRO A 13 290.849 239.676 232.622 1.00 0.00 C +ATOM 14 CA PRO A 14 289.319 238.716 229.267 1.00 0.00 C +ATOM 15 CA PRO A 15 289.588 241.468 226.646 1.00 0.00 C +ATOM 16 CA MET A 16 287.746 244.772 227.102 1.00 0.00 C +ATOM 17 CA ARG A 17 287.354 246.776 230.319 1.00 0.00 C +ATOM 18 CA GLN A 18 283.636 246.960 231.129 1.00 0.00 C +ATOM 19 CA THR A 19 280.176 245.893 232.315 1.00 0.00 C +ATOM 20 CA ARG A 20 276.457 246.063 233.126 1.00 0.00 C +ATOM 21 CA ARG A 21 274.634 249.383 232.717 1.00 0.00 C +ATOM 22 CA GLN A 22 272.398 252.094 234.190 1.00 0.00 C +ATOM 23 CA ARG A 23 269.271 252.926 232.178 1.00 0.00 C +ATOM 24 CA ARG A 24 268.838 250.160 229.593 1.00 0.00 C +ATOM 25 CA GLY A 25 265.959 250.197 227.097 1.00 0.00 C +ATOM 26 CA GLY A 26 263.297 247.529 226.545 1.00 0.00 C +ATOM 27 CA ARG A 27 260.697 247.299 229.321 1.00 0.00 C +ATOM 28 CA ARG A 28 261.580 248.695 232.754 1.00 0.00 C +ATOM 29 CA HIS A 29 261.754 252.261 234.082 1.00 0.00 C +ATOM 30 CA HIS A 30 263.456 255.182 235.840 1.00 0.00 C +ATOM 31 CA GLY A 31 262.710 258.532 237.495 1.00 0.00 C +ATOM 32 CA GLY A 32 259.282 260.194 237.464 1.00 0.00 C +ATOM 33 CA GLY A 33 256.884 258.750 234.880 1.00 0.00 C +ATOM 34 CA GLY A 34 253.969 256.966 236.563 1.00 0.00 C +ATOM 35 CA GLY A 35 252.951 256.028 240.112 1.00 0.00 C +ATOM 36 CA ALA A 36 249.840 256.341 242.289 1.00 0.00 C +ATOM 37 CA TYR A 37 247.938 254.034 244.650 1.00 0.00 C +ATOM 38 CA ILE A 38 244.928 252.761 246.610 1.00 0.00 C +ATOM 39 CA GLY A 39 242.692 255.026 248.705 1.00 0.00 C +ATOM 40 CA GLY A 40 238.973 255.406 247.972 1.00 0.00 C +ATOM 41 CA ASP A 41 237.568 253.003 245.371 1.00 0.00 C +ATOM 42 CA GLY A 42 234.975 251.762 242.870 1.00 0.00 C +ATOM 43 CA GLY A 43 231.191 251.484 242.525 1.00 0.00 C +ATOM 44 CA GLY A 44 229.424 254.788 241.831 1.00 0.00 C +ATOM 45 CA GLY A 45 229.838 258.345 240.532 1.00 0.00 C +ATOM 46 CA TRP A 46 231.844 260.334 243.088 1.00 0.00 C +ATOM 47 CA PHE A 47 231.399 263.690 244.835 1.00 0.00 C +ATOM 48 CA SER A 48 229.070 264.822 247.630 1.00 0.00 C +ATOM 49 CA GLY A 49 228.743 262.717 250.789 1.00 0.00 C +ATOM 50 CA GLY A 50 232.053 262.727 252.675 1.00 0.00 C +ATOM 51 CA ASP A 51 232.609 262.811 256.443 1.00 0.00 C +ATOM 52 CA GLY A 52 234.600 265.470 258.309 1.00 0.00 C +ATOM 53 CA GLY A 53 237.984 264.023 259.293 1.00 0.00 C +ATOM 54 CA GLY A 54 238.263 260.776 261.267 1.00 0.00 C +ATOM 55 CA GLY A 55 237.039 257.222 261.889 1.00 0.00 C +ATOM 56 CA TRP A 56 233.512 256.295 260.785 1.00 0.00 C +ATOM 57 CA GLY A 57 231.802 252.999 261.635 1.00 0.00 C +ATOM 58 CA GLY A 58 228.102 253.511 260.886 1.00 0.00 C +ATOM 59 CA GLY A 59 225.203 251.074 260.463 1.00 0.00 C +ATOM 60 CA ASP A 60 221.630 252.254 261.055 1.00 0.00 C +ATOM 61 CA GLY A 61 218.853 254.782 260.411 1.00 0.00 C +ATOM 62 CA GLY A 62 220.038 258.395 260.160 1.00 0.00 C +ATOM 63 CA GLY A 63 223.282 260.382 260.357 1.00 0.00 C +ATOM 64 CA GLY A 64 223.721 262.993 263.097 1.00 0.00 C +ATOM 65 CA GLY A 65 222.568 261.942 266.573 1.00 0.00 C +ATOM 66 CA GLY A 66 221.701 258.234 266.452 1.00 0.00 C +ATOM 67 CA GLY A 67 224.418 256.299 268.294 1.00 0.00 C +ATOM 68 CA GLY A 68 227.897 255.176 269.367 1.00 0.00 C +ATOM 69 CA GLY A 69 228.342 251.579 270.543 1.00 0.00 C +ATOM 70 CA GLY A 70 226.852 251.129 274.020 1.00 0.00 C +ATOM 71 CA ASP A 71 226.303 247.370 274.316 1.00 0.00 C +ATOM 72 CA GLY A 72 222.900 246.527 275.809 1.00 0.00 C +ATOM 73 CA GLY A 73 220.901 246.956 279.023 1.00 0.00 C +ATOM 74 CA GLY A 74 218.679 243.867 279.226 1.00 0.00 C +ATOM 75 CA GLY A 75 219.462 240.159 279.620 1.00 0.00 C +ATOM 76 CA GLY A 76 216.753 237.821 280.929 1.00 0.00 C +ATOM 77 CA GLY A 77 216.985 234.944 283.415 1.00 0.00 C +ATOM 78 CA GLY A 78 217.979 231.367 282.556 1.00 0.00 C +ATOM 79 CA CYS A 79 221.052 230.080 280.708 1.00 0.00 C +TER 80 CYS A 79 +END diff --git a/Fungi/A0A6G1J4Y2/A0A6G1J4Y2.dcd b/Fungi/A0A6G1J4Y2/A0A6G1J4Y2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..462cda2bfd64eefb44527167aaa5dc944f69f53a --- /dev/null +++ b/Fungi/A0A6G1J4Y2/A0A6G1J4Y2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4b03b9272e546469119d0e1938b71920185ac17bc796c6700882112d069878b6 +size 13520276 diff --git a/Fungi/A0A6G1J4Y2/top.pdb b/Fungi/A0A6G1J4Y2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3b822dd2310eb0aec1b92deb641e10bb3073eb68 --- /dev/null +++ b/Fungi/A0A6G1J4Y2/top.pdb @@ -0,0 +1,110 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 215.653 302.842 259.191 1.00 0.00 C +ATOM 2 CA HIS A 2 216.761 302.012 262.740 1.00 0.00 C +ATOM 3 CA ARG A 3 213.912 302.461 265.229 1.00 0.00 C +ATOM 4 CA GLN A 4 212.804 304.976 267.868 1.00 0.00 C +ATOM 5 CA ARG A 5 212.901 305.614 271.623 1.00 0.00 C +ATOM 6 CA HIS A 6 214.251 305.808 275.181 1.00 0.00 C +ATOM 7 CA GLU A 7 217.569 306.444 276.943 1.00 0.00 C +ATOM 8 CA THR A 8 220.944 304.679 276.830 1.00 0.00 C +ATOM 9 CA SER A 9 223.210 303.062 279.431 1.00 0.00 C +ATOM 10 CA GLN A 10 225.876 300.786 280.925 1.00 0.00 C +ATOM 11 CA GLY A 11 227.185 299.134 284.098 1.00 0.00 C +ATOM 12 CA ILE A 12 230.022 296.590 284.031 1.00 0.00 C +ATOM 13 CA GLN A 13 233.162 295.017 285.506 1.00 0.00 C +ATOM 14 CA THR A 14 236.550 293.274 285.443 1.00 0.00 C +ATOM 15 CA SER A 15 236.849 291.505 282.082 1.00 0.00 C +ATOM 16 CA PRO A 16 234.035 292.664 279.790 1.00 0.00 C +ATOM 17 CA SER A 17 230.538 293.722 278.710 1.00 0.00 C +ATOM 18 CA THR A 18 230.463 294.298 274.944 1.00 0.00 C +ATOM 19 CA LEU A 19 228.389 291.894 272.839 1.00 0.00 C +ATOM 20 CA ARG A 20 229.662 288.313 272.568 1.00 0.00 C +ATOM 21 CA THR A 21 227.056 286.064 270.936 1.00 0.00 C +ATOM 22 CA LEU A 22 227.689 282.518 269.692 1.00 0.00 C +ATOM 23 CA SER A 23 230.457 281.119 271.904 1.00 0.00 C +ATOM 24 CA ASN A 24 233.213 278.528 272.353 1.00 0.00 C +ATOM 25 CA ILE A 25 235.663 277.548 275.101 1.00 0.00 C +ATOM 26 CA HIS A 26 236.956 275.053 277.674 1.00 0.00 C +ATOM 27 CA HIS A 27 240.608 274.172 277.042 1.00 0.00 C +ATOM 28 CA ARG A 28 240.633 271.609 274.223 1.00 0.00 C +ATOM 29 CA TYR A 29 237.873 269.065 273.570 1.00 0.00 C +ATOM 30 CA TRP A 30 234.798 267.641 275.312 1.00 0.00 C +ATOM 31 CA TYR A 31 234.088 264.185 273.874 1.00 0.00 C +ATOM 32 CA PRO A 32 235.048 260.602 274.745 1.00 0.00 C +ATOM 33 CA THR A 33 235.182 259.857 278.479 1.00 0.00 C +ATOM 34 CA ALA A 34 235.889 256.175 279.153 1.00 0.00 C +ATOM 35 CA GLN A 35 236.169 252.578 277.930 1.00 0.00 C +ATOM 36 CA PRO A 36 237.681 250.686 280.871 1.00 0.00 C +ATOM 37 CA PRO A 37 240.496 250.186 283.389 1.00 0.00 C +ATOM 38 CA SER A 38 244.040 249.585 282.127 1.00 0.00 C +ATOM 39 CA ILE A 39 247.300 248.968 280.254 1.00 0.00 C +ATOM 40 CA PRO A 40 250.037 247.927 282.692 1.00 0.00 C +ATOM 41 CA PRO A 41 253.117 249.936 283.689 1.00 0.00 C +ATOM 42 CA THR A 42 255.218 252.120 281.380 1.00 0.00 C +ATOM 43 CA SER A 43 254.894 252.512 277.604 1.00 0.00 C +ATOM 44 CA THR A 44 256.949 250.974 274.788 1.00 0.00 C +ATOM 45 CA ILE A 45 257.835 253.068 271.731 1.00 0.00 C +ATOM 46 CA HIS A 46 261.071 254.149 270.036 1.00 0.00 C +ATOM 47 CA PRO A 47 261.324 255.355 266.431 1.00 0.00 C +ATOM 48 CA ARG A 48 261.476 252.429 263.996 1.00 0.00 C +ATOM 49 CA PRO A 49 261.531 248.699 264.769 1.00 0.00 C +ATOM 50 CA HIS A 50 262.409 245.165 265.890 1.00 0.00 C +ATOM 51 CA GLN A 51 263.040 241.566 264.809 1.00 0.00 C +ATOM 52 CA GLY A 52 264.398 241.243 261.264 1.00 0.00 C +ATOM 53 CA PRO A 53 266.296 240.928 257.976 1.00 0.00 C +ATOM 54 CA SER A 54 267.591 237.537 256.817 1.00 0.00 C +ATOM 55 CA SER A 55 269.684 235.750 254.183 1.00 0.00 C +ATOM 56 CA GLY A 56 272.482 234.072 252.216 1.00 0.00 C +ATOM 57 CA ASN A 57 273.869 231.366 249.920 1.00 0.00 C +ATOM 58 CA PHE A 58 274.722 227.739 249.121 1.00 0.00 C +ATOM 59 CA PRO A 59 272.916 226.889 245.876 1.00 0.00 C +ATOM 60 CA PRO A 60 270.946 226.099 242.712 1.00 0.00 C +ATOM 61 CA SER A 61 270.119 227.214 239.164 1.00 0.00 C +ATOM 62 CA HIS A 62 267.160 228.341 237.044 1.00 0.00 C +ATOM 63 CA ALA A 63 265.164 225.173 236.340 1.00 0.00 C +ATOM 64 CA HIS A 64 262.204 225.817 234.029 1.00 0.00 C +ATOM 65 CA ALA A 65 262.749 227.012 230.452 1.00 0.00 C +ATOM 66 CA HIS A 66 263.434 225.785 226.911 1.00 0.00 C +ATOM 67 CA ARG A 67 267.119 226.291 226.084 1.00 0.00 C +ATOM 68 CA PRO A 68 269.616 227.361 228.755 1.00 0.00 C +ATOM 69 CA HIS A 69 271.344 230.603 227.743 1.00 0.00 C +ATOM 70 CA THR A 70 273.570 230.345 224.662 1.00 0.00 C +ATOM 71 CA HIS A 71 276.333 232.894 225.284 1.00 0.00 C +ATOM 72 CA THR A 72 279.132 232.893 222.699 1.00 0.00 C +ATOM 73 CA ALA A 73 279.386 235.762 220.204 1.00 0.00 C +ATOM 74 CA CYS A 74 276.268 235.511 218.029 1.00 0.00 C +ATOM 75 CA ALA A 75 274.740 234.719 214.630 1.00 0.00 C +ATOM 76 CA THR A 76 271.838 236.718 213.181 1.00 0.00 C +ATOM 77 CA HIS A 77 270.060 239.653 211.526 1.00 0.00 C +ATOM 78 CA PRO A 78 266.654 241.338 211.807 1.00 0.00 C +ATOM 79 CA SER A 79 263.505 239.553 212.995 1.00 0.00 C +ATOM 80 CA SER A 80 260.586 241.757 214.062 1.00 0.00 C +ATOM 81 CA HIS A 81 260.151 245.494 213.460 1.00 0.00 C +ATOM 82 CA HIS A 82 262.234 247.569 215.884 1.00 0.00 C +ATOM 83 CA PRO A 83 264.388 246.516 218.845 1.00 0.00 C +ATOM 84 CA TYR A 84 264.552 242.912 220.068 1.00 0.00 C +ATOM 85 CA GLN A 85 264.060 240.573 223.035 1.00 0.00 C +ATOM 86 CA GLN A 86 261.260 238.778 224.895 1.00 0.00 C +ATOM 87 CA SER A 87 260.834 235.337 223.318 1.00 0.00 C +ATOM 88 CA SER A 88 258.073 232.723 223.569 1.00 0.00 C +ATOM 89 CA VAL A 89 257.567 228.950 223.397 1.00 0.00 C +ATOM 90 CA THR A 90 257.655 225.335 222.199 1.00 0.00 C +ATOM 91 CA PRO A 91 256.314 222.913 219.581 1.00 0.00 C +ATOM 92 CA VAL A 92 254.892 219.446 218.893 1.00 0.00 C +ATOM 93 CA LYS A 93 251.816 218.788 221.043 1.00 0.00 C +ATOM 94 CA PHE A 94 249.979 215.726 222.374 1.00 0.00 C +ATOM 95 CA PHE A 95 252.188 212.622 222.423 1.00 0.00 C +ATOM 96 CA ARG A 96 252.567 208.850 222.798 1.00 0.00 C +ATOM 97 CA SER A 97 252.078 205.339 221.402 1.00 0.00 C +ATOM 98 CA ALA A 98 250.625 202.463 223.435 1.00 0.00 C +ATOM 99 CA LYS A 99 248.025 199.684 223.607 1.00 0.00 C +ATOM 100 CA PRO A 100 244.567 199.809 225.202 1.00 0.00 C +ATOM 101 CA ARG A 101 242.171 201.533 222.793 1.00 0.00 C +ATOM 102 CA ARG A 102 242.420 203.856 219.783 1.00 0.00 C +ATOM 103 CA THR A 103 244.406 203.872 216.531 1.00 0.00 C +ATOM 104 CA TYR A 104 246.963 204.373 213.751 1.00 0.00 C +ATOM 105 CA SER A 105 246.590 207.065 211.081 1.00 0.00 C +ATOM 106 CA THR A 106 249.263 207.980 208.525 1.00 0.00 C +TER 107 THR A 106 +END diff --git a/Fungi/A0A6G1JLN2/A0A6G1JLN2.dcd b/Fungi/A0A6G1JLN2/A0A6G1JLN2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..732cad1ea9f1a0d4528d45e0996d9c37a92a535a --- /dev/null +++ b/Fungi/A0A6G1JLN2/A0A6G1JLN2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a48a1249ab3469e343230063db0d146ee3e998004e2278d97baa9e7e1b5e2390 +size 19280276 diff --git a/Fungi/A0A6G1JLN2/top.pdb b/Fungi/A0A6G1JLN2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b7af8ede89a4583c4c38d5ce1a925938f78696f4 --- /dev/null +++ b/Fungi/A0A6G1JLN2/top.pdb @@ -0,0 +1,158 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 245.519 225.524 289.885 1.00 0.00 C +ATOM 2 CA HIS A 2 246.160 226.495 286.257 1.00 0.00 C +ATOM 3 CA PHE A 3 245.151 224.751 283.024 1.00 0.00 C +ATOM 4 CA GLU A 4 242.315 226.037 280.829 1.00 0.00 C +ATOM 5 CA ALA A 5 240.286 227.839 278.154 1.00 0.00 C +ATOM 6 CA SER A 6 241.446 231.467 278.273 1.00 0.00 C +ATOM 7 CA PRO A 7 244.832 232.953 279.193 1.00 0.00 C +ATOM 8 CA GLY A 8 248.162 231.141 278.820 1.00 0.00 C +ATOM 9 CA SER A 9 248.200 228.425 276.149 1.00 0.00 C +ATOM 10 CA THR A 10 246.945 228.200 272.558 1.00 0.00 C +ATOM 11 CA PRO A 11 247.415 230.529 269.580 1.00 0.00 C +ATOM 12 CA SER A 12 246.278 229.066 266.251 1.00 0.00 C +ATOM 13 CA SER A 13 248.839 226.770 264.612 1.00 0.00 C +ATOM 14 CA SER A 14 250.805 223.744 263.389 1.00 0.00 C +ATOM 15 CA PRO A 15 251.129 220.096 264.441 1.00 0.00 C +ATOM 16 CA SER A 16 250.995 217.626 267.338 1.00 0.00 C +ATOM 17 CA LYS A 17 249.909 214.243 265.961 1.00 0.00 C +ATOM 18 CA SER A 18 248.883 211.258 268.095 1.00 0.00 C +ATOM 19 CA ILE A 19 249.701 207.889 266.516 1.00 0.00 C +ATOM 20 CA PRO A 20 251.485 207.172 263.227 1.00 0.00 C +ATOM 21 CA ILE A 21 254.836 205.502 262.521 1.00 0.00 C +ATOM 22 CA SER A 22 255.961 204.687 258.973 1.00 0.00 C +ATOM 23 CA ILE A 23 257.206 206.107 255.664 1.00 0.00 C +ATOM 24 CA GLY A 24 256.266 209.726 254.931 1.00 0.00 C +ATOM 25 CA ASN A 25 254.639 212.405 252.765 1.00 0.00 C +ATOM 26 CA MET A 26 256.757 214.999 250.949 1.00 0.00 C +ATOM 27 CA SER A 27 257.767 217.518 253.624 1.00 0.00 C +ATOM 28 CA SER A 28 256.296 219.658 256.412 1.00 0.00 C +ATOM 29 CA PRO A 29 253.895 221.756 258.497 1.00 0.00 C +ATOM 30 CA THR A 30 250.260 221.184 257.509 1.00 0.00 C +ATOM 31 CA GLY A 31 247.315 218.880 256.780 1.00 0.00 C +ATOM 32 CA SER A 32 244.660 217.538 254.399 1.00 0.00 C +ATOM 33 CA LEU A 33 242.707 217.736 251.133 1.00 0.00 C +ATOM 34 CA TYR A 34 239.277 219.138 252.020 1.00 0.00 C +ATOM 35 CA SER A 35 236.148 218.368 249.987 1.00 0.00 C +ATOM 36 CA ASN A 36 233.863 215.341 249.626 1.00 0.00 C +ATOM 37 CA TYR A 37 230.384 216.117 250.973 1.00 0.00 C +ATOM 38 CA SER A 38 229.650 218.233 254.055 1.00 0.00 C +ATOM 39 CA ALA A 39 227.060 221.020 254.256 1.00 0.00 C +ATOM 40 CA ASP A 40 228.170 224.653 254.554 1.00 0.00 C +ATOM 41 CA SER A 41 229.861 227.882 255.661 1.00 0.00 C +ATOM 42 CA MET A 42 229.801 231.418 254.242 1.00 0.00 C +ATOM 43 CA ASN A 43 231.391 234.755 253.317 1.00 0.00 C +ATOM 44 CA SER A 44 228.930 237.370 254.592 1.00 0.00 C +ATOM 45 CA THR A 45 229.096 240.003 257.340 1.00 0.00 C +ATOM 46 CA ARG A 46 225.695 241.700 257.603 1.00 0.00 C +ATOM 47 CA GLY A 47 222.653 242.723 255.549 1.00 0.00 C +ATOM 48 CA ALA A 48 220.037 244.751 253.663 1.00 0.00 C +ATOM 49 CA SER A 49 218.455 248.066 252.651 1.00 0.00 C +ATOM 50 CA THR A 50 217.936 249.709 249.253 1.00 0.00 C +ATOM 51 CA ALA A 51 218.010 253.385 248.252 1.00 0.00 C +ATOM 52 CA TYR A 52 217.114 254.496 244.720 1.00 0.00 C +ATOM 53 CA PRO A 53 214.032 255.256 242.613 1.00 0.00 C +ATOM 54 CA SER A 54 214.222 258.385 240.448 1.00 0.00 C +ATOM 55 CA TRP A 55 214.906 259.279 236.808 1.00 0.00 C +ATOM 56 CA PRO A 56 216.591 258.476 233.486 1.00 0.00 C +ATOM 57 CA THR A 57 219.257 259.225 230.869 1.00 0.00 C +ATOM 58 CA GLY A 58 220.143 262.734 229.680 1.00 0.00 C +ATOM 59 CA SER A 59 220.741 265.164 232.553 1.00 0.00 C +ATOM 60 CA SER A 60 222.801 267.232 235.001 1.00 0.00 C +ATOM 61 CA LEU A 61 225.888 266.946 237.216 1.00 0.00 C +ATOM 62 CA GLY A 62 228.597 267.498 239.837 1.00 0.00 C +ATOM 63 CA TYR A 63 228.637 271.199 240.740 1.00 0.00 C +ATOM 64 CA ARG A 64 230.895 273.007 243.220 1.00 0.00 C +ATOM 65 CA SER A 65 233.129 275.373 241.239 1.00 0.00 C +ATOM 66 CA THR A 66 234.976 276.088 237.984 1.00 0.00 C +ATOM 67 CA PRO A 67 235.425 277.822 234.621 1.00 0.00 C +ATOM 68 CA SER A 68 238.925 279.327 234.581 1.00 0.00 C +ATOM 69 CA SER A 69 241.786 279.636 237.078 1.00 0.00 C +ATOM 70 CA PHE A 70 244.716 277.732 235.560 1.00 0.00 C +ATOM 71 CA ILE A 71 248.075 278.932 234.220 1.00 0.00 C +ATOM 72 CA SER A 72 250.851 279.906 231.800 1.00 0.00 C +ATOM 73 CA ASP A 73 254.554 279.464 231.020 1.00 0.00 C +ATOM 74 CA ALA A 74 257.098 277.915 233.396 1.00 0.00 C +ATOM 75 CA ASP A 75 257.286 274.190 232.621 1.00 0.00 C +ATOM 76 CA LEU A 76 258.191 272.868 229.164 1.00 0.00 C +ATOM 77 CA PHE A 77 257.078 271.654 225.729 1.00 0.00 C +ATOM 78 CA GLY A 78 253.358 270.939 225.321 1.00 0.00 C +ATOM 79 CA ASP A 79 250.018 269.652 226.628 1.00 0.00 C +ATOM 80 CA ASP A 80 250.845 267.801 229.854 1.00 0.00 C +ATOM 81 CA LEU A 81 252.487 265.548 232.451 1.00 0.00 C +ATOM 82 CA ASP A 82 253.516 262.827 234.911 1.00 0.00 C +ATOM 83 CA ASP A 83 251.403 260.709 237.270 1.00 0.00 C +ATOM 84 CA GLU A 84 249.364 257.794 235.906 1.00 0.00 C +ATOM 85 CA PHE A 85 251.385 254.681 235.045 1.00 0.00 C +ATOM 86 CA ALA A 86 252.498 251.060 234.641 1.00 0.00 C +ATOM 87 CA SER A 87 256.305 251.196 234.687 1.00 0.00 C +ATOM 88 CA PRO A 88 257.373 248.288 232.469 1.00 0.00 C +ATOM 89 CA TYR A 89 259.851 245.453 231.891 1.00 0.00 C +ATOM 90 CA GLY A 90 261.055 242.578 229.699 1.00 0.00 C +ATOM 91 CA PRO A 91 259.641 239.439 231.333 1.00 0.00 C +ATOM 92 CA TYR A 92 258.516 238.072 234.706 1.00 0.00 C +ATOM 93 CA LEU A 93 256.654 235.036 236.059 1.00 0.00 C +ATOM 94 CA GLN A 94 257.244 231.648 234.420 1.00 0.00 C +ATOM 95 CA GLU A 95 260.733 230.147 234.121 1.00 0.00 C +ATOM 96 CA ALA A 96 262.323 230.326 237.578 1.00 0.00 C +ATOM 97 CA PRO A 97 261.074 229.732 241.129 1.00 0.00 C +ATOM 98 CA ALA A 98 259.496 229.815 244.595 1.00 0.00 C +ATOM 99 CA PRO A 99 257.231 226.752 244.665 1.00 0.00 C +ATOM 100 CA PRO A 100 259.480 223.851 245.687 1.00 0.00 C +ATOM 101 CA ARG A 101 263.223 223.639 245.008 1.00 0.00 C +ATOM 102 CA GLN A 102 266.408 223.087 247.024 1.00 0.00 C +ATOM 103 CA PRO A 103 265.567 224.383 250.506 1.00 0.00 C +ATOM 104 CA PRO A 104 262.607 226.776 250.675 1.00 0.00 C +ATOM 105 CA MET A 105 259.917 229.463 250.925 1.00 0.00 C +ATOM 106 CA ALA A 106 259.100 231.943 253.699 1.00 0.00 C +ATOM 107 CA GLN A 107 259.789 231.068 257.342 1.00 0.00 C +ATOM 108 CA ALA A 108 261.789 233.741 259.178 1.00 0.00 C +ATOM 109 CA PHE A 109 261.585 236.871 261.340 1.00 0.00 C +ATOM 110 CA PRO A 110 262.838 239.980 263.151 1.00 0.00 C +ATOM 111 CA PHE A 111 266.397 241.338 263.063 1.00 0.00 C +ATOM 112 CA LEU A 112 267.495 244.746 261.761 1.00 0.00 C +ATOM 113 CA PRO A 113 265.077 246.862 259.714 1.00 0.00 C +ATOM 114 CA PRO A 114 264.917 250.476 260.910 1.00 0.00 C +ATOM 115 CA MET A 115 266.503 253.898 261.449 1.00 0.00 C +ATOM 116 CA TYR A 116 269.154 256.578 260.899 1.00 0.00 C +ATOM 117 CA ALA A 117 271.953 258.253 258.929 1.00 0.00 C +ATOM 118 CA ALA A 118 273.289 260.349 256.041 1.00 0.00 C +ATOM 119 CA GLU A 119 271.786 261.199 252.646 1.00 0.00 C +ATOM 120 CA LYS A 120 273.087 264.630 251.619 1.00 0.00 C +ATOM 121 CA PRO A 121 273.165 267.919 249.697 1.00 0.00 C +ATOM 122 CA LYS A 122 273.895 267.231 246.021 1.00 0.00 C +ATOM 123 CA LYS A 123 276.889 269.266 244.833 1.00 0.00 C +ATOM 124 CA GLN A 124 277.894 271.443 247.794 1.00 0.00 C +ATOM 125 CA GLN A 125 275.900 273.941 249.868 1.00 0.00 C +ATOM 126 CA GLN A 126 273.068 273.588 252.393 1.00 0.00 C +ATOM 127 CA ARG A 127 272.574 272.886 256.105 1.00 0.00 C +ATOM 128 CA ARG A 128 272.511 275.050 259.240 1.00 0.00 C +ATOM 129 CA ARG A 129 271.543 278.151 261.231 1.00 0.00 C +ATOM 130 CA SER A 130 270.758 281.081 258.926 1.00 0.00 C +ATOM 131 CA SER A 131 270.472 282.859 255.569 1.00 0.00 C +ATOM 132 CA GLY A 132 268.193 285.902 255.808 1.00 0.00 C +ATOM 133 CA ARG A 133 266.580 285.958 259.259 1.00 0.00 C +ATOM 134 CA LYS A 134 264.778 284.053 262.022 1.00 0.00 C +ATOM 135 CA GLN A 135 261.288 284.352 263.521 1.00 0.00 C +ATOM 136 CA ARG A 136 258.406 285.353 261.239 1.00 0.00 C +ATOM 137 CA ARG A 137 255.618 286.179 258.777 1.00 0.00 C +ATOM 138 CA PRO A 138 252.287 287.965 258.297 1.00 0.00 C +ATOM 139 CA SER A 139 251.511 290.692 255.752 1.00 0.00 C +ATOM 140 CA LYS A 140 250.567 289.331 252.321 1.00 0.00 C +ATOM 141 CA PRO A 141 247.178 288.906 250.631 1.00 0.00 C +ATOM 142 CA MET A 142 246.364 290.587 247.310 1.00 0.00 C +ATOM 143 CA THR A 143 248.486 292.860 245.109 1.00 0.00 C +ATOM 144 CA PRO A 144 248.362 293.146 241.311 1.00 0.00 C +ATOM 145 CA ILE A 145 249.085 290.314 238.867 1.00 0.00 C +ATOM 146 CA SER A 146 250.185 286.682 239.200 1.00 0.00 C +ATOM 147 CA GLU A 147 249.560 282.997 238.457 1.00 0.00 C +ATOM 148 CA SER A 148 252.739 280.969 237.913 1.00 0.00 C +ATOM 149 CA PRO A 149 252.318 277.455 239.321 1.00 0.00 C +ATOM 150 CA GLU A 150 255.170 275.011 238.678 1.00 0.00 C +ATOM 151 CA ALA A 151 257.513 272.986 240.896 1.00 0.00 C +ATOM 152 CA GLN A 152 259.549 269.780 241.203 1.00 0.00 C +ATOM 153 CA ARG A 153 262.023 268.894 243.963 1.00 0.00 C +ATOM 154 CA GLU A 154 263.880 270.229 247.009 1.00 0.00 C +TER 155 GLU A 154 +END diff --git a/Fungi/A0A6G1KG01/A0A6G1KG01.dcd b/Fungi/A0A6G1KG01/A0A6G1KG01.dcd new file mode 100644 index 0000000000000000000000000000000000000000..df32f0a13f9dfa1bc5cf29ba0bcb9960bc6fd0cd --- /dev/null +++ b/Fungi/A0A6G1KG01/A0A6G1KG01.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9d721485cb5afdae2fb94fbd70cdda019a134dfc1d573175cbf8061b6944295b +size 9080276 diff --git a/Fungi/A0A6G1KG01/top.pdb b/Fungi/A0A6G1KG01/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8698504e9bb673215bdc036b08e8993ee4fa0699 --- /dev/null +++ b/Fungi/A0A6G1KG01/top.pdb @@ -0,0 +1,73 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 225.955 270.527 259.265 1.00 0.00 C +ATOM 2 CA SER A 2 222.941 271.874 261.167 1.00 0.00 C +ATOM 3 CA ALA A 3 222.146 272.342 264.864 1.00 0.00 C +ATOM 4 CA GLY A 4 219.163 270.710 266.583 1.00 0.00 C +ATOM 5 CA SER A 5 219.206 266.984 265.790 1.00 0.00 C +ATOM 6 CA PRO A 6 221.320 264.162 267.235 1.00 0.00 C +ATOM 7 CA ILE A 7 224.301 263.298 265.025 1.00 0.00 C +ATOM 8 CA THR A 8 226.723 265.741 263.389 1.00 0.00 C +ATOM 9 CA VAL A 9 229.530 267.501 265.272 1.00 0.00 C +ATOM 10 CA ALA A 10 232.313 270.057 265.761 1.00 0.00 C +ATOM 11 CA GLU A 11 234.397 272.341 263.534 1.00 0.00 C +ATOM 12 CA VAL A 12 237.345 270.603 261.859 1.00 0.00 C +ATOM 13 CA ALA A 13 240.862 271.464 260.675 1.00 0.00 C +ATOM 14 CA THR A 14 244.638 271.895 260.947 1.00 0.00 C +ATOM 15 CA MET A 15 246.767 271.580 264.091 1.00 0.00 C +ATOM 16 CA ARG A 16 248.610 270.730 267.315 1.00 0.00 C +ATOM 17 CA SER A 17 246.574 268.226 269.339 1.00 0.00 C +ATOM 18 CA GLY A 18 244.230 265.525 270.655 1.00 0.00 C +ATOM 19 CA SER A 19 243.635 261.882 269.711 1.00 0.00 C +ATOM 20 CA GLY A 20 246.522 259.523 268.926 1.00 0.00 C +ATOM 21 CA GLY A 21 247.437 259.067 265.256 1.00 0.00 C +ATOM 22 CA GLY A 22 250.955 257.807 264.514 1.00 0.00 C +ATOM 23 CA GLY A 23 250.895 255.505 261.478 1.00 0.00 C +ATOM 24 CA GLY A 24 248.213 256.296 258.890 1.00 0.00 C +ATOM 25 CA GLY A 25 244.589 255.122 258.833 1.00 0.00 C +ATOM 26 CA GLY A 26 242.949 256.571 255.714 1.00 0.00 C +ATOM 27 CA GLY A 27 243.394 259.730 253.631 1.00 0.00 C +ATOM 28 CA ASP A 28 247.105 260.591 253.666 1.00 0.00 C +ATOM 29 CA GLY A 29 250.364 261.349 251.844 1.00 0.00 C +ATOM 30 CA CYS A 30 253.516 262.216 253.801 1.00 0.00 C +ATOM 31 CA LEU A 31 257.292 262.609 254.120 1.00 0.00 C +ATOM 32 CA TRP A 32 258.703 259.383 252.665 1.00 0.00 C +ATOM 33 CA GLY A 33 260.995 260.547 249.853 1.00 0.00 C +ATOM 34 CA ASP A 34 262.581 257.653 247.949 1.00 0.00 C +ATOM 35 CA GLY A 35 261.218 254.103 247.712 1.00 0.00 C +ATOM 36 CA GLY A 36 259.130 252.178 245.172 1.00 0.00 C +ATOM 37 CA CYS A 37 255.852 250.238 245.267 1.00 0.00 C +ATOM 38 CA GLY A 38 252.345 248.975 246.052 1.00 0.00 C +ATOM 39 CA GLY A 39 248.893 250.482 246.629 1.00 0.00 C +ATOM 40 CA GLY A 40 246.470 247.591 246.091 1.00 0.00 C +ATOM 41 CA GLU A 41 243.908 246.160 243.661 1.00 0.00 C +ATOM 42 CA TRP A 42 242.687 245.853 240.065 1.00 0.00 C +ATOM 43 CA THR A 43 243.904 243.541 237.292 1.00 0.00 C +ATOM 44 CA GLU A 44 245.666 244.953 234.223 1.00 0.00 C +ATOM 45 CA ARG A 45 246.369 244.604 230.495 1.00 0.00 C +ATOM 46 CA ILE A 46 248.695 241.926 229.103 1.00 0.00 C +ATOM 47 CA ARG A 47 250.859 240.206 231.725 1.00 0.00 C +ATOM 48 CA SER A 48 250.419 239.143 235.357 1.00 0.00 C +ATOM 49 CA ARG A 49 248.817 236.400 237.461 1.00 0.00 C +ATOM 50 CA SER A 50 249.405 236.338 241.225 1.00 0.00 C +ATOM 51 CA GLU A 51 251.589 234.482 243.735 1.00 0.00 C +ATOM 52 CA GLN A 52 253.814 231.511 242.875 1.00 0.00 C +ATOM 53 CA GLU A 53 256.371 230.237 240.355 1.00 0.00 C +ATOM 54 CA LEU A 54 258.680 231.836 237.779 1.00 0.00 C +ATOM 55 CA GLU A 55 259.503 235.527 237.313 1.00 0.00 C +ATOM 56 CA SER A 56 263.124 236.078 238.363 1.00 0.00 C +ATOM 57 CA THR A 57 265.690 233.480 237.276 1.00 0.00 C +ATOM 58 CA ASP A 58 267.530 230.847 239.324 1.00 0.00 C +ATOM 59 CA ARG A 59 268.192 227.627 241.249 1.00 0.00 C +ATOM 60 CA ASP A 60 271.693 226.579 240.172 1.00 0.00 C +ATOM 61 CA ARG A 61 275.300 227.564 239.438 1.00 0.00 C +ATOM 62 CA ARG A 62 278.308 225.718 238.001 1.00 0.00 C +ATOM 63 CA PRO A 63 278.939 225.740 234.244 1.00 0.00 C +ATOM 64 CA ARG A 64 275.560 225.655 232.486 1.00 0.00 C +ATOM 65 CA LEU A 65 272.472 223.743 233.637 1.00 0.00 C +ATOM 66 CA TRP A 66 270.460 221.694 236.140 1.00 0.00 C +ATOM 67 CA ALA A 67 267.379 221.378 238.359 1.00 0.00 C +ATOM 68 CA THR A 68 264.187 223.282 239.195 1.00 0.00 C +ATOM 69 CA MET A 69 260.405 222.915 238.908 1.00 0.00 C +TER 70 MET A 69 +END diff --git a/Fungi/A0A6H0XTF9/A0A6H0XTF9.dcd b/Fungi/A0A6H0XTF9/A0A6H0XTF9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..483de8bcee60c3904bb9b6f3c2d08db6f6088d7f --- /dev/null +++ b/Fungi/A0A6H0XTF9/A0A6H0XTF9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:01d1ffd5d22a9824356406a5c1334b9a603ba4ece389fcea8881086cb05293ef +size 9080276 diff --git a/Fungi/A0A6H0XTF9/top.pdb b/Fungi/A0A6H0XTF9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..30cd0008f14fb71b9e5f14fbfa78288e67e04c77 --- /dev/null +++ b/Fungi/A0A6H0XTF9/top.pdb @@ -0,0 +1,73 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 280.563 238.694 246.361 1.00 0.00 C +ATOM 2 CA THR A 2 279.922 235.282 244.792 1.00 0.00 C +ATOM 3 CA GLN A 3 278.462 231.767 244.617 1.00 0.00 C +ATOM 4 CA ASP A 4 280.664 228.811 243.652 1.00 0.00 C +ATOM 5 CA THR A 5 284.435 228.958 243.125 1.00 0.00 C +ATOM 6 CA GLN A 6 287.824 230.421 242.184 1.00 0.00 C +ATOM 7 CA PRO A 7 289.144 233.835 241.125 1.00 0.00 C +ATOM 8 CA ALA A 8 288.690 236.136 238.122 1.00 0.00 C +ATOM 9 CA SER A 9 288.492 239.880 237.447 1.00 0.00 C +ATOM 10 CA THR A 10 285.897 241.133 234.955 1.00 0.00 C +ATOM 11 CA SER A 11 286.386 241.354 231.183 1.00 0.00 C +ATOM 12 CA PRO A 12 285.450 242.961 227.858 1.00 0.00 C +ATOM 13 CA VAL A 13 282.909 245.313 226.269 1.00 0.00 C +ATOM 14 CA ARG A 14 279.497 245.729 224.626 1.00 0.00 C +ATOM 15 CA LYS A 15 276.510 243.862 223.172 1.00 0.00 C +ATOM 16 CA ASP A 16 275.582 240.812 225.258 1.00 0.00 C +ATOM 17 CA SER A 17 272.913 238.155 224.681 1.00 0.00 C +ATOM 18 CA SER A 18 269.475 236.673 225.391 1.00 0.00 C +ATOM 19 CA GLU A 19 269.824 232.879 225.347 1.00 0.00 C +ATOM 20 CA ARG A 20 269.085 229.386 226.678 1.00 0.00 C +ATOM 21 CA ARG A 21 266.060 227.227 225.836 1.00 0.00 C +ATOM 22 CA GLN A 22 263.109 226.253 223.632 1.00 0.00 C +ATOM 23 CA SER A 23 259.956 227.135 225.581 1.00 0.00 C +ATOM 24 CA SER A 24 258.696 230.592 224.592 1.00 0.00 C +ATOM 25 CA GLY A 25 258.717 234.401 224.507 1.00 0.00 C +ATOM 26 CA MET A 26 258.614 236.764 227.494 1.00 0.00 C +ATOM 27 CA PHE A 27 259.201 240.301 228.784 1.00 0.00 C +ATOM 28 CA ALA A 28 261.712 243.162 228.621 1.00 0.00 C +ATOM 29 CA ASN A 29 261.142 246.826 229.496 1.00 0.00 C +ATOM 30 CA LEU A 30 259.709 250.195 228.441 1.00 0.00 C +ATOM 31 CA GLN A 31 255.952 250.048 227.829 1.00 0.00 C +ATOM 32 CA GLN A 32 254.576 253.471 228.781 1.00 0.00 C +ATOM 33 CA ALA A 33 254.365 255.668 231.887 1.00 0.00 C +ATOM 34 CA LYS A 34 257.243 254.900 234.262 1.00 0.00 C +ATOM 35 CA ARG A 35 257.721 253.956 237.922 1.00 0.00 C +ATOM 36 CA ASP A 36 257.516 255.935 241.172 1.00 0.00 C +ATOM 37 CA PRO A 37 255.399 257.615 243.857 1.00 0.00 C +ATOM 38 CA GLN A 38 252.141 257.679 245.832 1.00 0.00 C +ATOM 39 CA ASN A 39 249.230 256.862 248.149 1.00 0.00 C +ATOM 40 CA ALA A 40 248.060 257.995 251.594 1.00 0.00 C +ATOM 41 CA ASN A 41 245.574 255.942 253.624 1.00 0.00 C +ATOM 42 CA ALA A 42 243.363 252.842 253.761 1.00 0.00 C +ATOM 43 CA THR A 43 240.813 253.248 256.562 1.00 0.00 C +ATOM 44 CA SER A 44 241.545 251.089 259.615 1.00 0.00 C +ATOM 45 CA ARG A 45 238.972 248.289 259.844 1.00 0.00 C +ATOM 46 CA ARG A 46 235.603 249.560 261.090 1.00 0.00 C +ATOM 47 CA LEU A 47 233.685 252.167 259.080 1.00 0.00 C +ATOM 48 CA SER A 48 233.953 255.728 260.406 1.00 0.00 C +ATOM 49 CA ALA A 49 235.825 255.837 263.723 1.00 0.00 C +ATOM 50 CA ALA A 50 233.661 257.364 266.463 1.00 0.00 C +ATOM 51 CA GLU A 51 232.112 259.831 268.917 1.00 0.00 C +ATOM 52 CA HIS A 52 231.086 262.416 271.521 1.00 0.00 C +ATOM 53 CA ARG A 53 231.613 265.984 272.750 1.00 0.00 C +ATOM 54 CA GLY A 54 231.403 267.449 276.261 1.00 0.00 C +ATOM 55 CA ALA A 55 227.909 267.021 277.721 1.00 0.00 C +ATOM 56 CA PRO A 56 225.895 265.025 280.266 1.00 0.00 C +ATOM 57 CA ASN A 57 223.622 262.297 281.646 1.00 0.00 C +ATOM 58 CA ALA A 58 220.672 261.603 283.955 1.00 0.00 C +ATOM 59 CA PHE A 59 219.482 263.137 287.233 1.00 0.00 C +ATOM 60 CA SER A 60 217.600 264.561 290.224 1.00 0.00 C +ATOM 61 CA SER A 61 214.712 266.710 288.976 1.00 0.00 C +ATOM 62 CA LEU A 62 213.280 266.670 285.446 1.00 0.00 C +ATOM 63 CA TRP A 63 209.503 267.138 285.268 1.00 0.00 C +ATOM 64 CA ASN A 64 207.915 268.132 281.950 1.00 0.00 C +ATOM 65 CA SER A 65 205.235 270.828 282.205 1.00 0.00 C +ATOM 66 CA THR A 66 201.627 270.588 281.007 1.00 0.00 C +ATOM 67 CA PHE A 67 200.114 269.378 277.726 1.00 0.00 C +ATOM 68 CA ARG A 68 197.611 270.415 275.048 1.00 0.00 C +ATOM 69 CA SER A 69 194.772 269.725 272.602 1.00 0.00 C +TER 70 SER A 69 +END diff --git a/Fungi/A0A6P8B7K6/A0A6P8B7K6.dcd b/Fungi/A0A6P8B7K6/A0A6P8B7K6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..6720913ea9314e77cf6494931c5462afc5c3b965 --- /dev/null +++ b/Fungi/A0A6P8B7K6/A0A6P8B7K6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:05a55a0e6ce4e67848494e9ca1cb066ca8a9bb31afee89c7dacb81869dc134f9 +size 23360276 diff --git a/Fungi/A0A6P8B7K6/top.pdb b/Fungi/A0A6P8B7K6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b4a00483ef66a367ab2839a09265a6f4274afff6 --- /dev/null +++ b/Fungi/A0A6P8B7K6/top.pdb @@ -0,0 +1,192 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 189.609 221.509 238.429 1.00 0.00 C +ATOM 2 CA SER A 2 187.762 223.804 236.013 1.00 0.00 C +ATOM 3 CA PRO A 3 188.460 224.847 232.416 1.00 0.00 C +ATOM 4 CA ALA A 4 190.672 225.039 229.320 1.00 0.00 C +ATOM 5 CA SER A 5 194.207 224.535 230.650 1.00 0.00 C +ATOM 6 CA PRO A 6 197.488 222.793 231.493 1.00 0.00 C +ATOM 7 CA LYS A 7 199.812 221.641 228.701 1.00 0.00 C +ATOM 8 CA PRO A 8 202.898 221.911 226.484 1.00 0.00 C +ATOM 9 CA GLY A 9 206.485 222.132 227.751 1.00 0.00 C +ATOM 10 CA ARG A 10 209.296 221.733 225.210 1.00 0.00 C +ATOM 11 CA GLU A 11 212.108 223.530 223.371 1.00 0.00 C +ATOM 12 CA SER A 12 214.195 226.717 223.388 1.00 0.00 C +ATOM 13 CA MET A 13 216.223 228.305 226.196 1.00 0.00 C +ATOM 14 CA SER A 14 218.435 228.975 229.225 1.00 0.00 C +ATOM 15 CA PRO A 15 221.642 230.628 230.448 1.00 0.00 C +ATOM 16 CA GLN A 16 225.186 231.300 231.675 1.00 0.00 C +ATOM 17 CA ARG A 17 228.874 231.448 232.622 1.00 0.00 C +ATOM 18 CA ALA A 18 231.772 232.401 234.904 1.00 0.00 C +ATOM 19 CA GLU A 19 232.786 232.015 238.557 1.00 0.00 C +ATOM 20 CA ALA A 20 233.477 230.099 241.776 1.00 0.00 C +ATOM 21 CA ALA A 21 236.057 227.950 243.577 1.00 0.00 C +ATOM 22 CA PRO A 22 239.648 228.460 244.744 1.00 0.00 C +ATOM 23 CA ILE A 23 241.260 227.158 247.941 1.00 0.00 C +ATOM 24 CA GLN A 24 244.285 228.953 249.403 1.00 0.00 C +ATOM 25 CA ARG A 25 247.188 231.419 249.471 1.00 0.00 C +ATOM 26 CA ARG A 26 246.355 235.121 249.127 1.00 0.00 C +ATOM 27 CA SER A 27 244.569 236.226 252.306 1.00 0.00 C +ATOM 28 CA ASP A 28 240.972 235.141 252.937 1.00 0.00 C +ATOM 29 CA SER A 29 239.400 234.456 249.535 1.00 0.00 C +ATOM 30 CA PRO A 30 239.469 235.497 245.870 1.00 0.00 C +ATOM 31 CA ARG A 31 240.430 239.165 245.503 1.00 0.00 C +ATOM 32 CA SER A 32 242.343 239.713 242.253 1.00 0.00 C +ATOM 33 CA ASP A 33 245.361 237.405 242.534 1.00 0.00 C +ATOM 34 CA ARG A 34 248.190 239.125 240.650 1.00 0.00 C +ATOM 35 CA SER A 35 247.797 240.566 237.145 1.00 0.00 C +ATOM 36 CA TYR A 36 248.882 243.637 235.168 1.00 0.00 C +ATOM 37 CA SER A 37 249.862 242.610 231.633 1.00 0.00 C +ATOM 38 CA ARG A 38 247.470 243.381 228.769 1.00 0.00 C +ATOM 39 CA SER A 39 243.727 243.838 228.223 1.00 0.00 C +ATOM 40 CA LEU A 40 241.038 246.509 228.609 1.00 0.00 C +ATOM 41 CA SER A 41 241.179 249.406 226.138 1.00 0.00 C +ATOM 42 CA ARG A 42 240.302 248.489 222.546 1.00 0.00 C +ATOM 43 CA SER A 43 242.155 250.872 220.222 1.00 0.00 C +ATOM 44 CA LEU A 44 245.857 250.796 219.325 1.00 0.00 C +ATOM 45 CA SER A 45 249.393 251.845 220.282 1.00 0.00 C +ATOM 46 CA PRO A 46 252.277 251.854 222.772 1.00 0.00 C +ATOM 47 CA VAL A 47 253.770 249.344 225.219 1.00 0.00 C +ATOM 48 CA SER A 48 257.083 250.323 226.825 1.00 0.00 C +ATOM 49 CA GLN A 49 258.691 253.735 227.359 1.00 0.00 C +ATOM 50 CA GLU A 50 259.561 256.833 229.399 1.00 0.00 C +ATOM 51 CA GLY A 51 259.876 260.121 231.298 1.00 0.00 C +ATOM 52 CA ARG A 52 261.377 260.933 234.704 1.00 0.00 C +ATOM 53 CA ARG A 53 262.974 263.759 236.700 1.00 0.00 C +ATOM 54 CA GLY A 54 265.846 265.624 238.369 1.00 0.00 C +ATOM 55 CA GLY A 55 268.855 264.948 240.606 1.00 0.00 C +ATOM 56 CA GLN A 56 270.561 264.085 243.902 1.00 0.00 C +ATOM 57 CA TYR A 57 272.914 264.190 246.897 1.00 0.00 C +ATOM 58 CA ARG A 58 275.714 266.665 247.639 1.00 0.00 C +ATOM 59 CA ASP A 59 276.142 270.448 247.786 1.00 0.00 C +ATOM 60 CA ALA A 60 273.843 273.442 247.275 1.00 0.00 C +ATOM 61 CA SER A 61 270.389 272.606 248.650 1.00 0.00 C +ATOM 62 CA GLN A 62 268.993 271.049 251.834 1.00 0.00 C +ATOM 63 CA ARG A 63 270.348 269.997 255.236 1.00 0.00 C +ATOM 64 CA ARG A 64 272.143 272.696 257.239 1.00 0.00 C +ATOM 65 CA TYR A 65 269.718 273.648 260.019 1.00 0.00 C +ATOM 66 CA SER A 66 270.878 276.319 262.476 1.00 0.00 C +ATOM 67 CA SER A 67 270.464 276.237 266.262 1.00 0.00 C +ATOM 68 CA PRO A 68 269.544 272.641 267.122 1.00 0.00 C +ATOM 69 CA GLU A 69 272.636 270.538 267.851 1.00 0.00 C +ATOM 70 CA ARG A 70 273.397 270.754 271.578 1.00 0.00 C +ATOM 71 CA PRO A 71 275.540 273.588 272.954 1.00 0.00 C +ATOM 72 CA PRO A 72 277.663 275.644 270.549 1.00 0.00 C +ATOM 73 CA ARG A 73 281.315 276.075 269.551 1.00 0.00 C +ATOM 74 CA GLU A 74 284.398 273.837 269.645 1.00 0.00 C +ATOM 75 CA PRO A 75 284.530 272.431 273.184 1.00 0.00 C +ATOM 76 CA GLN A 76 282.595 273.761 276.185 1.00 0.00 C +ATOM 77 CA ARG A 77 281.089 274.089 279.669 1.00 0.00 C +ATOM 78 CA HIS A 78 280.933 276.425 282.675 1.00 0.00 C +ATOM 79 CA LYS A 79 279.130 279.676 281.839 1.00 0.00 C +ATOM 80 CA SER A 80 275.442 280.595 282.111 1.00 0.00 C +ATOM 81 CA ASN A 81 271.924 280.388 280.665 1.00 0.00 C +ATOM 82 CA GLY A 82 268.793 282.406 279.863 1.00 0.00 C +ATOM 83 CA HIS A 83 267.622 286.032 279.844 1.00 0.00 C +ATOM 84 CA ARG A 84 266.136 289.418 278.928 1.00 0.00 C +ATOM 85 CA LYS A 85 263.385 291.488 277.296 1.00 0.00 C +ATOM 86 CA ASP A 86 264.202 293.702 274.304 1.00 0.00 C +ATOM 87 CA ASP A 87 265.642 296.970 272.977 1.00 0.00 C +ATOM 88 CA ASP A 88 267.115 296.355 269.517 1.00 0.00 C +ATOM 89 CA SER A 89 270.320 297.867 268.118 1.00 0.00 C +ATOM 90 CA LYS A 90 272.252 299.516 270.957 1.00 0.00 C +ATOM 91 CA ASP A 91 273.654 297.497 273.869 1.00 0.00 C +ATOM 92 CA ARG A 92 275.446 296.011 276.885 1.00 0.00 C +ATOM 93 CA SER A 93 279.033 295.092 277.780 1.00 0.00 C +ATOM 94 CA ARG A 94 279.612 291.370 277.207 1.00 0.00 C +ATOM 95 CA SER A 95 277.531 288.419 278.423 1.00 0.00 C +ATOM 96 CA PRO A 96 274.440 287.211 276.551 1.00 0.00 C +ATOM 97 CA ARG A 97 272.613 289.642 274.256 1.00 0.00 C +ATOM 98 CA ARG A 98 269.431 289.634 272.160 1.00 0.00 C +ATOM 99 CA TYR A 99 266.568 289.495 269.650 1.00 0.00 C +ATOM 100 CA GLU A 100 264.757 286.685 267.822 1.00 0.00 C +ATOM 101 CA ASP A 101 263.785 283.306 266.354 1.00 0.00 C +ATOM 102 CA SER A 102 262.243 279.918 265.541 1.00 0.00 C +ATOM 103 CA HIS A 103 259.593 279.131 262.920 1.00 0.00 C +ATOM 104 CA ARG A 104 256.964 279.042 260.163 1.00 0.00 C +ATOM 105 CA GLY A 105 253.911 277.092 258.983 1.00 0.00 C +ATOM 106 CA ARG A 106 252.318 273.707 259.703 1.00 0.00 C +ATOM 107 CA PHE A 107 251.624 270.147 260.868 1.00 0.00 C +ATOM 108 CA ASP A 108 252.772 266.841 262.374 1.00 0.00 C +ATOM 109 CA GLU A 109 251.954 264.132 259.822 1.00 0.00 C +ATOM 110 CA GLY A 110 252.149 261.884 256.752 1.00 0.00 C +ATOM 111 CA ARG A 111 255.792 261.277 255.815 1.00 0.00 C +ATOM 112 CA ARG A 112 258.937 259.127 255.780 1.00 0.00 C +ATOM 113 CA GLN A 113 262.498 257.778 255.906 1.00 0.00 C +ATOM 114 CA GLN A 114 264.074 254.490 254.802 1.00 0.00 C +ATOM 115 CA SER A 115 264.067 250.807 253.825 1.00 0.00 C +ATOM 116 CA ARG A 116 263.640 249.055 250.469 1.00 0.00 C +ATOM 117 CA SER A 117 265.602 246.711 248.194 1.00 0.00 C +ATOM 118 CA PRO A 118 265.331 246.986 244.404 1.00 0.00 C +ATOM 119 CA ARG A 119 266.594 250.016 242.469 1.00 0.00 C +ATOM 120 CA ARG A 120 267.058 250.631 238.738 1.00 0.00 C +ATOM 121 CA GLU A 121 264.759 251.026 235.725 1.00 0.00 C +ATOM 122 CA PRO A 122 261.137 250.410 234.717 1.00 0.00 C +ATOM 123 CA SER A 123 260.455 246.808 235.755 1.00 0.00 C +ATOM 124 CA ILE A 124 260.723 243.812 233.418 1.00 0.00 C +ATOM 125 CA ASP A 125 261.941 241.683 230.502 1.00 0.00 C +ATOM 126 CA ASP A 126 264.979 239.385 230.596 1.00 0.00 C +ATOM 127 CA LYS A 127 265.399 238.155 227.015 1.00 0.00 C +ATOM 128 CA GLY A 128 263.545 235.217 225.451 1.00 0.00 C +ATOM 129 CA GLY A 129 265.690 232.228 224.459 1.00 0.00 C +ATOM 130 CA ARG A 130 268.509 230.692 222.408 1.00 0.00 C +ATOM 131 CA ALA A 131 271.114 228.618 224.259 1.00 0.00 C +ATOM 132 CA GLY A 132 273.473 230.475 226.605 1.00 0.00 C +ATOM 133 CA LYS A 133 274.341 230.111 230.297 1.00 0.00 C +ATOM 134 CA ALA A 134 276.873 230.088 233.144 1.00 0.00 C +ATOM 135 CA ARG A 135 280.528 231.011 233.691 1.00 0.00 C +ATOM 136 CA GLN A 136 282.878 232.175 236.455 1.00 0.00 C +ATOM 137 CA TYR A 137 284.976 230.198 238.947 1.00 0.00 C +ATOM 138 CA ARG A 138 283.274 227.611 241.167 1.00 0.00 C +ATOM 139 CA GLU A 139 280.761 226.940 243.950 1.00 0.00 C +ATOM 140 CA ARG A 140 277.922 225.288 245.881 1.00 0.00 C +ATOM 141 CA GLY A 141 276.035 225.104 249.186 1.00 0.00 C +ATOM 142 CA ASN A 142 272.557 226.168 250.321 1.00 0.00 C +ATOM 143 CA GLN A 143 270.734 224.635 253.295 1.00 0.00 C +ATOM 144 CA TYR A 144 267.153 225.724 254.002 1.00 0.00 C +ATOM 145 CA SER A 145 265.404 223.108 256.150 1.00 0.00 C +ATOM 146 CA ARG A 146 262.000 221.916 254.922 1.00 0.00 C +ATOM 147 CA PRO A 147 259.086 220.472 256.907 1.00 0.00 C +ATOM 148 CA ASP A 148 256.794 221.477 259.780 1.00 0.00 C +ATOM 149 CA THR A 149 253.384 220.079 260.748 1.00 0.00 C +ATOM 150 CA ARG A 150 250.325 218.263 262.112 1.00 0.00 C +ATOM 151 CA ARG A 151 246.981 218.109 263.932 1.00 0.00 C +ATOM 152 CA GLU A 152 246.837 217.370 267.666 1.00 0.00 C +ATOM 153 CA SER A 153 244.711 214.548 269.092 1.00 0.00 C +ATOM 154 CA SER A 154 244.688 211.080 267.514 1.00 0.00 C +ATOM 155 CA PRO A 155 244.312 211.251 263.726 1.00 0.00 C +ATOM 156 CA LEU A 156 242.436 212.201 260.549 1.00 0.00 C +ATOM 157 CA ARG A 157 240.170 211.887 257.502 1.00 0.00 C +ATOM 158 CA SER A 158 239.391 215.385 256.209 1.00 0.00 C +ATOM 159 CA SER A 159 238.718 218.794 257.773 1.00 0.00 C +ATOM 160 CA LEU A 160 236.650 221.989 257.954 1.00 0.00 C +ATOM 161 CA SER A 161 237.183 224.666 260.611 1.00 0.00 C +ATOM 162 CA SER A 162 235.992 227.983 259.163 1.00 0.00 C +ATOM 163 CA ARG A 163 234.009 231.208 258.733 1.00 0.00 C +ATOM 164 CA ARG A 164 233.840 231.870 254.985 1.00 0.00 C +ATOM 165 CA GLU A 165 232.841 234.201 252.142 1.00 0.00 C +ATOM 166 CA GLY A 166 233.204 237.488 250.249 1.00 0.00 C +ATOM 167 CA ALA A 167 234.526 239.892 247.606 1.00 0.00 C +ATOM 168 CA PRO A 168 233.241 242.849 245.576 1.00 0.00 C +ATOM 169 CA ARG A 169 232.247 246.429 246.417 1.00 0.00 C +ATOM 170 CA GLU A 170 233.644 249.404 248.343 1.00 0.00 C +ATOM 171 CA ARG A 171 231.122 251.792 249.910 1.00 0.00 C +ATOM 172 CA SER A 172 228.183 249.588 250.920 1.00 0.00 C +ATOM 173 CA LEU A 173 225.282 248.289 248.819 1.00 0.00 C +ATOM 174 CA SER A 174 221.654 247.880 247.729 1.00 0.00 C +ATOM 175 CA PRO A 175 219.283 249.743 250.058 1.00 0.00 C +ATOM 176 CA PHE A 176 216.108 247.866 251.012 1.00 0.00 C +ATOM 177 CA SER A 177 213.371 249.291 248.777 1.00 0.00 C +ATOM 178 CA ARG A 178 209.748 248.211 249.250 1.00 0.00 C +ATOM 179 CA ARG A 179 207.268 247.794 252.112 1.00 0.00 C +ATOM 180 CA LEU A 180 204.258 249.763 253.368 1.00 0.00 C +ATOM 181 CA ALA A 181 201.984 251.319 256.000 1.00 0.00 C +ATOM 182 CA LEU A 182 199.156 253.870 255.870 1.00 0.00 C +ATOM 183 CA THR A 183 199.721 257.416 257.144 1.00 0.00 C +ATOM 184 CA GLN A 184 202.855 258.965 258.660 1.00 0.00 C +ATOM 185 CA ALA A 185 206.402 257.791 257.912 1.00 0.00 C +ATOM 186 CA MET A 186 207.374 259.749 254.791 1.00 0.00 C +ATOM 187 CA ASN A 187 204.378 261.574 253.306 1.00 0.00 C +ATOM 188 CA ARG A 188 202.896 262.335 249.880 1.00 0.00 C +TER 189 ARG A 188 +END diff --git a/Fungi/A0A6S6W7P4/A0A6S6W7P4.dcd b/Fungi/A0A6S6W7P4/A0A6S6W7P4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..236808f92320589222a1f310a417a66c99626ac2 --- /dev/null +++ b/Fungi/A0A6S6W7P4/A0A6S6W7P4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:428df3e81ece4aef6f8e4479988bae3380a7a180615ac017a2a39e5b26ae8e6f +size 13520276 diff --git a/Fungi/A0A6S6W7P4/top.pdb b/Fungi/A0A6S6W7P4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b9fb23bce15236fb8b9765ba204d6a83b265ea18 --- /dev/null +++ b/Fungi/A0A6S6W7P4/top.pdb @@ -0,0 +1,110 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 253.412 214.160 211.524 1.00 0.00 C +ATOM 2 CA PRO A 2 255.598 217.266 211.822 1.00 0.00 C +ATOM 3 CA SER A 3 254.324 220.519 213.342 1.00 0.00 C +ATOM 4 CA SER A 4 257.008 222.225 215.440 1.00 0.00 C +ATOM 5 CA SER A 5 259.048 219.996 217.761 1.00 0.00 C +ATOM 6 CA THR A 6 259.587 219.823 221.528 1.00 0.00 C +ATOM 7 CA PHE A 7 256.193 218.910 222.999 1.00 0.00 C +ATOM 8 CA GLN A 8 254.406 222.198 223.714 1.00 0.00 C +ATOM 9 CA SER A 9 254.523 225.341 221.563 1.00 0.00 C +ATOM 10 CA PHE A 10 254.104 227.838 218.716 1.00 0.00 C +ATOM 11 CA SER A 11 253.814 231.608 218.246 1.00 0.00 C +ATOM 12 CA THR A 12 255.380 233.888 215.626 1.00 0.00 C +ATOM 13 CA THR A 13 259.120 233.843 214.897 1.00 0.00 C +ATOM 14 CA SER A 14 260.377 237.259 216.024 1.00 0.00 C +ATOM 15 CA SER A 15 262.665 239.651 217.910 1.00 0.00 C +ATOM 16 CA SER A 16 265.357 238.585 220.386 1.00 0.00 C +ATOM 17 CA SER A 17 267.848 238.900 223.252 1.00 0.00 C +ATOM 18 CA THR A 18 268.777 242.551 223.819 1.00 0.00 C +ATOM 19 CA ILE A 19 270.532 244.368 226.671 1.00 0.00 C +ATOM 20 CA ASN A 20 271.090 242.954 230.164 1.00 0.00 C +ATOM 21 CA GLY A 21 268.150 241.636 232.199 1.00 0.00 C +ATOM 22 CA ARG A 22 268.601 242.627 235.850 1.00 0.00 C +ATOM 23 CA THR A 23 267.354 242.697 239.449 1.00 0.00 C +ATOM 24 CA THR A 24 268.672 244.438 242.572 1.00 0.00 C +ATOM 25 CA SER A 25 267.151 247.701 243.820 1.00 0.00 C +ATOM 26 CA HIS A 26 264.764 247.516 246.784 1.00 0.00 C +ATOM 27 CA SER A 27 261.434 247.523 248.635 1.00 0.00 C +ATOM 28 CA GLU A 28 259.997 248.819 251.917 1.00 0.00 C +ATOM 29 CA GLN A 29 259.002 252.481 252.255 1.00 0.00 C +ATOM 30 CA THR A 30 257.559 254.517 249.376 1.00 0.00 C +ATOM 31 CA TYR A 31 253.811 253.870 249.163 1.00 0.00 C +ATOM 32 CA SER A 32 251.264 254.992 246.561 1.00 0.00 C +ATOM 33 CA ASP A 33 248.916 252.363 245.114 1.00 0.00 C +ATOM 34 CA PRO A 34 245.420 251.953 243.658 1.00 0.00 C +ATOM 35 CA THR A 35 242.452 254.262 244.274 1.00 0.00 C +ATOM 36 CA GLY A 36 239.926 255.686 246.744 1.00 0.00 C +ATOM 37 CA THR A 37 238.846 258.932 248.421 1.00 0.00 C +ATOM 38 CA ARG A 38 236.266 260.614 250.664 1.00 0.00 C +ATOM 39 CA VAL A 39 235.021 263.966 249.348 1.00 0.00 C +ATOM 40 CA GLN A 40 234.504 266.316 246.394 1.00 0.00 C +ATOM 41 CA ARG A 41 231.647 268.763 245.789 1.00 0.00 C +ATOM 42 CA THR A 42 227.956 268.417 246.666 1.00 0.00 C +ATOM 43 CA HIS A 43 224.909 267.207 248.607 1.00 0.00 C +ATOM 44 CA GLN A 44 225.505 268.469 252.152 1.00 0.00 C +ATOM 45 CA ALA A 45 225.605 272.264 252.475 1.00 0.00 C +ATOM 46 CA HIS A 46 224.768 275.881 253.332 1.00 0.00 C +ATOM 47 CA GLY A 47 224.667 279.069 251.248 1.00 0.00 C +ATOM 48 CA GLU A 48 224.620 281.205 248.094 1.00 0.00 C +ATOM 49 CA ALA A 49 227.191 283.960 248.657 1.00 0.00 C +ATOM 50 CA PRO A 50 229.585 284.917 251.461 1.00 0.00 C +ATOM 51 CA ARG A 51 231.284 283.706 254.650 1.00 0.00 C +ATOM 52 CA VAL A 52 232.210 281.520 257.629 1.00 0.00 C +ATOM 53 CA GLU A 53 229.914 281.676 260.665 1.00 0.00 C +ATOM 54 CA ARG A 54 230.844 278.662 262.803 1.00 0.00 C +ATOM 55 CA TYR A 55 232.760 275.431 263.441 1.00 0.00 C +ATOM 56 CA GLN A 56 233.087 272.739 260.765 1.00 0.00 C +ATOM 57 CA THR A 57 234.356 269.306 259.708 1.00 0.00 C +ATOM 58 CA ASP A 58 236.808 267.209 261.735 1.00 0.00 C +ATOM 59 CA ALA A 59 240.263 268.755 262.171 1.00 0.00 C +ATOM 60 CA ALA A 60 243.842 267.758 261.328 1.00 0.00 C +ATOM 61 CA GLY A 61 246.562 269.874 262.953 1.00 0.00 C +ATOM 62 CA ARG A 62 245.718 272.599 265.479 1.00 0.00 C +ATOM 63 CA GLN A 63 246.743 275.765 267.334 1.00 0.00 C +ATOM 64 CA LEU A 64 249.093 274.688 270.132 1.00 0.00 C +ATOM 65 CA GLU A 65 251.368 271.871 268.946 1.00 0.00 C +ATOM 66 CA ASP A 66 252.462 270.397 265.608 1.00 0.00 C +ATOM 67 CA SER A 67 255.794 271.168 263.929 1.00 0.00 C +ATOM 68 CA ARG A 68 259.195 269.844 262.832 1.00 0.00 C +ATOM 69 CA GLN A 69 259.416 266.193 261.763 1.00 0.00 C +ATOM 70 CA ALA A 70 256.615 264.445 263.664 1.00 0.00 C +ATOM 71 CA ASP A 71 254.465 261.458 264.650 1.00 0.00 C +ATOM 72 CA ALA A 72 255.516 257.833 265.169 1.00 0.00 C +ATOM 73 CA ARG A 73 253.321 254.739 264.810 1.00 0.00 C +ATOM 74 CA ARG A 74 253.678 252.793 268.066 1.00 0.00 C +ATOM 75 CA ILE A 75 252.304 249.255 268.399 1.00 0.00 C +ATOM 76 CA GLN A 76 255.017 247.064 266.863 1.00 0.00 C +ATOM 77 CA ASP A 77 255.685 243.398 266.071 1.00 0.00 C +ATOM 78 CA VAL A 78 259.108 241.734 266.240 1.00 0.00 C +ATOM 79 CA THR A 79 261.014 239.634 263.696 1.00 0.00 C +ATOM 80 CA GLU A 80 264.125 237.926 265.084 1.00 0.00 C +ATOM 81 CA GLU A 81 266.847 239.940 266.831 1.00 0.00 C +ATOM 82 CA GLU A 82 269.938 241.666 265.423 1.00 0.00 C +ATOM 83 CA ASP A 83 273.025 243.838 265.941 1.00 0.00 C +ATOM 84 CA ALA A 84 272.760 247.639 265.971 1.00 0.00 C +ATOM 85 CA LYS A 85 270.060 249.238 263.810 1.00 0.00 C +ATOM 86 CA ASP A 86 268.009 248.778 260.632 1.00 0.00 C +ATOM 87 CA LYS A 87 264.387 248.888 261.809 1.00 0.00 C +ATOM 88 CA GLY A 88 260.813 248.466 260.558 1.00 0.00 C +ATOM 89 CA ARG A 89 257.235 248.993 259.359 1.00 0.00 C +ATOM 90 CA LEU A 90 254.480 246.446 258.696 1.00 0.00 C +ATOM 91 CA TYR A 91 252.291 244.605 261.214 1.00 0.00 C +ATOM 92 CA GLU A 92 248.500 244.821 260.899 1.00 0.00 C +ATOM 93 CA GLU A 93 245.735 245.309 263.474 1.00 0.00 C +ATOM 94 CA ARG A 94 242.986 242.695 263.834 1.00 0.00 C +ATOM 95 CA MET A 95 242.199 238.999 264.322 1.00 0.00 C +ATOM 96 CA GLU A 96 243.236 235.914 262.342 1.00 0.00 C +ATOM 97 CA GLU A 97 241.854 234.735 258.992 1.00 0.00 C +ATOM 98 CA GLU A 98 242.067 233.548 255.378 1.00 0.00 C +ATOM 99 CA TYR A 99 241.887 230.299 253.397 1.00 0.00 C +ATOM 100 CA ALA A 100 241.742 226.943 251.599 1.00 0.00 C +ATOM 101 CA LYS A 101 239.497 224.465 253.426 1.00 0.00 C +ATOM 102 CA LYS A 102 237.193 222.916 256.035 1.00 0.00 C +ATOM 103 CA GLU A 103 237.344 223.817 259.734 1.00 0.00 C +ATOM 104 CA GLY A 104 239.568 223.260 262.777 1.00 0.00 C +ATOM 105 CA GLY A 105 241.920 221.486 265.194 1.00 0.00 C +ATOM 106 CA ALA A 106 243.136 217.912 264.684 1.00 0.00 C +TER 107 ALA A 106 +END diff --git a/Fungi/A0A7C8ICZ8/A0A7C8ICZ8.dcd b/Fungi/A0A7C8ICZ8/A0A7C8ICZ8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8376d1304bf4aee9f32eb1be2a2bd0285a0ce3b7 --- /dev/null +++ b/Fungi/A0A7C8ICZ8/A0A7C8ICZ8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3ec612452b6dbd17dca6ba3a775d3c7bd459f26f6c90e60ba7c23e2c7acdbd17 +size 8120276 diff --git a/Fungi/A0A7C8ICZ8/top.pdb b/Fungi/A0A7C8ICZ8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a34d83d60224c1ce27bfba05a22a7c95b916f21b --- /dev/null +++ b/Fungi/A0A7C8ICZ8/top.pdb @@ -0,0 +1,65 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 255.288 303.198 237.822 1.00 0.00 C +ATOM 2 CA SER A 2 251.573 303.992 238.112 1.00 0.00 C +ATOM 3 CA CYS A 3 248.864 302.471 235.906 1.00 0.00 C +ATOM 4 CA ALA A 4 248.909 299.637 233.361 1.00 0.00 C +ATOM 5 CA ASP A 5 247.363 296.223 234.050 1.00 0.00 C +ATOM 6 CA GLU A 6 249.364 294.408 236.737 1.00 0.00 C +ATOM 7 CA SER A 7 248.710 291.086 238.484 1.00 0.00 C +ATOM 8 CA ARG A 8 246.183 288.524 237.233 1.00 0.00 C +ATOM 9 CA ALA A 9 244.442 285.559 238.876 1.00 0.00 C +ATOM 10 CA ASP A 10 245.728 284.686 242.354 1.00 0.00 C +ATOM 11 CA ALA A 11 247.580 281.640 243.700 1.00 0.00 C +ATOM 12 CA VAL A 12 249.620 282.543 246.789 1.00 0.00 C +ATOM 13 CA SER A 13 250.721 279.925 249.329 1.00 0.00 C +ATOM 14 CA ARG A 14 252.323 276.493 249.740 1.00 0.00 C +ATOM 15 CA HIS A 15 251.921 274.275 246.668 1.00 0.00 C +ATOM 16 CA GLY A 16 254.433 272.455 244.456 1.00 0.00 C +ATOM 17 CA GLU A 17 257.668 272.417 246.467 1.00 0.00 C +ATOM 18 CA LEU A 18 260.884 273.639 244.829 1.00 0.00 C +ATOM 19 CA GLY A 19 262.307 273.295 241.312 1.00 0.00 C +ATOM 20 CA THR A 20 265.004 270.627 241.671 1.00 0.00 C +ATOM 21 CA SER A 21 265.461 268.701 244.926 1.00 0.00 C +ATOM 22 CA SER A 22 264.984 265.172 246.281 1.00 0.00 C +ATOM 23 CA ALA A 23 263.439 261.857 247.351 1.00 0.00 C +ATOM 24 CA ASN A 24 261.402 259.991 249.975 1.00 0.00 C +ATOM 25 CA GLY A 25 259.062 257.697 248.031 1.00 0.00 C +ATOM 26 CA GLU A 26 260.441 255.631 245.142 1.00 0.00 C +ATOM 27 CA HIS A 27 262.021 252.331 244.079 1.00 0.00 C +ATOM 28 CA ASN A 28 262.198 250.694 240.643 1.00 0.00 C +ATOM 29 CA ASP A 29 259.578 249.472 238.162 1.00 0.00 C +ATOM 30 CA GLU A 30 257.196 249.963 235.229 1.00 0.00 C +ATOM 31 CA HIS A 31 256.920 252.517 232.415 1.00 0.00 C +ATOM 32 CA LYS A 32 253.540 254.271 232.296 1.00 0.00 C +ATOM 33 CA GLN A 33 250.129 253.650 233.875 1.00 0.00 C +ATOM 34 CA LYS A 34 248.636 250.490 232.359 1.00 0.00 C +ATOM 35 CA ALA A 35 250.130 246.985 232.386 1.00 0.00 C +ATOM 36 CA GLN A 36 247.602 244.152 232.701 1.00 0.00 C +ATOM 37 CA ALA A 37 249.256 240.908 233.823 1.00 0.00 C +ATOM 38 CA ALA A 38 249.133 239.934 237.504 1.00 0.00 C +ATOM 39 CA ARG A 39 248.994 237.443 240.384 1.00 0.00 C +ATOM 40 CA VAL A 40 249.865 234.499 242.640 1.00 0.00 C +ATOM 41 CA ILE A 41 246.765 232.602 243.785 1.00 0.00 C +ATOM 42 CA GLN A 42 245.474 231.471 247.187 1.00 0.00 C +ATOM 43 CA ARG A 43 244.606 228.352 249.195 1.00 0.00 C +ATOM 44 CA ASN A 44 241.409 227.504 251.086 1.00 0.00 C +ATOM 45 CA TYR A 45 242.550 226.358 254.536 1.00 0.00 C +ATOM 46 CA ARG A 46 240.904 223.368 256.229 1.00 0.00 C +ATOM 47 CA GLY A 47 242.243 220.035 257.500 1.00 0.00 C +ATOM 48 CA HIS A 48 244.099 216.976 258.810 1.00 0.00 C +ATOM 49 CA ARG A 49 246.227 216.956 261.970 1.00 0.00 C +ATOM 50 CA GLU A 50 245.827 214.558 264.904 1.00 0.00 C +ATOM 51 CA ARG A 51 246.884 212.308 267.791 1.00 0.00 C +ATOM 52 CA ARG A 52 247.931 210.560 271.010 1.00 0.00 C +ATOM 53 CA SER A 53 247.571 207.428 273.149 1.00 0.00 C +ATOM 54 CA GLY A 54 247.533 207.048 276.940 1.00 0.00 C +ATOM 55 CA LEU A 55 244.979 205.677 279.412 1.00 0.00 C +ATOM 56 CA PRO A 56 243.030 206.931 282.437 1.00 0.00 C +ATOM 57 CA ALA A 57 239.708 205.839 283.948 1.00 0.00 C +ATOM 58 CA VAL A 58 238.179 204.900 287.309 1.00 0.00 C +ATOM 59 CA SER A 59 234.973 204.351 289.293 1.00 0.00 C +ATOM 60 CA VAL A 60 231.960 206.312 288.031 1.00 0.00 C +ATOM 61 CA ILE A 61 228.274 207.021 287.376 1.00 0.00 C +TER 62 ILE A 61 +END diff --git a/Fungi/A0A7C8NUZ1/A0A7C8NUZ1.dcd b/Fungi/A0A7C8NUZ1/A0A7C8NUZ1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..05a296ff90210741fcc364c92054d1face5a9527 --- /dev/null +++ b/Fungi/A0A7C8NUZ1/A0A7C8NUZ1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d9adfa1a7a6716530b8f98d9330bc02b1f875a0a0d31686d91f988b1e474ba66 +size 40440276 diff --git a/Fungi/A0A7C8NUZ1/top.pdb b/Fungi/A0A7C8NUZ1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..02a0c980909062b83031095aab7ba562fd5806a6 --- /dev/null +++ b/Fungi/A0A7C8NUZ1/top.pdb @@ -0,0 +1,222 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 267.653 241.596 310.857 1.00 0.00 C +ATOM 2 CA PRO A 2 269.592 239.362 313.258 1.00 0.00 C +ATOM 3 CA ARG A 3 267.744 237.118 315.722 1.00 0.00 C +ATOM 4 CA GLY A 4 265.759 237.356 318.965 1.00 0.00 C +ATOM 5 CA LYS A 5 262.519 239.232 318.260 1.00 0.00 C +ATOM 6 CA PHE A 6 259.211 241.039 317.702 1.00 0.00 C +ATOM 7 CA SER A 7 256.039 239.700 319.332 1.00 0.00 C +ATOM 8 CA LYS A 8 257.121 236.843 321.609 1.00 0.00 C +ATOM 9 CA PRO A 9 257.638 238.308 325.089 1.00 0.00 C +ATOM 10 CA ILE A 10 256.950 242.049 325.293 1.00 0.00 C +ATOM 11 CA ARG A 11 260.315 243.833 325.203 1.00 0.00 C +ATOM 12 CA GLY A 12 261.632 245.360 321.970 1.00 0.00 C +ATOM 13 CA GLY A 13 259.777 248.096 320.077 1.00 0.00 C +ATOM 14 CA GLY A 14 259.048 251.791 320.658 1.00 0.00 C +ATOM 15 CA LYS A 15 261.904 252.973 322.885 1.00 0.00 C +ATOM 16 CA LYS A 16 265.171 254.903 322.542 1.00 0.00 C +ATOM 17 CA PHE A 17 266.411 258.505 322.439 1.00 0.00 C +ATOM 18 CA SER A 18 269.612 259.733 324.099 1.00 0.00 C +ATOM 19 CA ARG A 19 272.793 258.937 322.159 1.00 0.00 C +ATOM 20 CA ASP A 20 274.383 262.206 321.017 1.00 0.00 C +ATOM 21 CA VAL A 21 275.074 265.892 320.345 1.00 0.00 C +ATOM 22 CA ARG A 22 274.510 269.365 318.885 1.00 0.00 C +ATOM 23 CA PRO A 23 271.490 270.746 317.017 1.00 0.00 C +ATOM 24 CA ALA A 24 269.439 273.048 314.778 1.00 0.00 C +ATOM 25 CA GLU A 25 266.055 274.793 314.905 1.00 0.00 C +ATOM 26 CA ASP A 26 262.622 274.222 313.354 1.00 0.00 C +ATOM 27 CA ALA A 27 258.824 274.167 313.051 1.00 0.00 C +ATOM 28 CA PRO A 28 257.671 271.115 315.019 1.00 0.00 C +ATOM 29 CA GLY A 29 258.947 267.530 314.839 1.00 0.00 C +ATOM 30 CA MET A 30 258.816 265.834 318.248 1.00 0.00 C +ATOM 31 CA TRP A 31 256.290 263.264 319.486 1.00 0.00 C +ATOM 32 CA ASP A 32 253.615 260.552 319.463 1.00 0.00 C +ATOM 33 CA ASP A 33 254.761 256.957 318.929 1.00 0.00 C +ATOM 34 CA GLY A 34 254.588 253.836 316.751 1.00 0.00 C +ATOM 35 CA PRO A 35 252.012 253.316 313.993 1.00 0.00 C +ATOM 36 CA ARG A 36 253.503 254.190 310.597 1.00 0.00 C +ATOM 37 CA GLU A 37 255.635 257.191 309.614 1.00 0.00 C +ATOM 38 CA LYS A 38 258.861 256.517 307.704 1.00 0.00 C +ATOM 39 CA GLU A 39 259.332 252.935 306.494 1.00 0.00 C +ATOM 40 CA GLU A 40 260.410 249.811 304.598 1.00 0.00 C +ATOM 41 CA GLU A 41 258.749 246.383 304.508 1.00 0.00 C +ATOM 42 CA SER A 42 260.387 243.713 302.339 1.00 0.00 C +ATOM 43 CA GLU A 43 261.078 243.720 298.592 1.00 0.00 C +ATOM 44 CA GLU A 44 263.433 246.366 297.189 1.00 0.00 C +ATOM 45 CA GLU A 45 261.418 249.599 297.133 1.00 0.00 C +ATOM 46 CA GLU A 46 261.405 251.191 293.672 1.00 0.00 C +ATOM 47 CA SER A 47 261.737 253.988 291.106 1.00 0.00 C +ATOM 48 CA GLU A 48 264.186 255.952 288.947 1.00 0.00 C +ATOM 49 CA GLU A 49 263.245 259.643 289.014 1.00 0.00 C +ATOM 50 CA GLU A 50 260.949 262.305 290.484 1.00 0.00 C +ATOM 51 CA SER A 51 261.278 266.090 290.188 1.00 0.00 C +ATOM 52 CA GLU A 52 262.874 269.487 289.536 1.00 0.00 C +ATOM 53 CA GLU A 53 261.542 272.871 290.673 1.00 0.00 C +ATOM 54 CA GLU A 54 259.225 275.765 289.797 1.00 0.00 C +ATOM 55 CA SER A 55 255.416 275.759 289.879 1.00 0.00 C +ATOM 56 CA ASP A 56 253.196 274.359 292.641 1.00 0.00 C +ATOM 57 CA ASP A 57 251.071 271.421 291.473 1.00 0.00 C +ATOM 58 CA GLY A 58 247.674 270.935 289.816 1.00 0.00 C +ATOM 59 CA ASN A 59 246.314 273.517 287.367 1.00 0.00 C +ATOM 60 CA THR A 60 247.764 274.977 284.160 1.00 0.00 C +ATOM 61 CA ALA A 61 250.769 276.898 282.820 1.00 0.00 C +ATOM 62 CA GLY A 62 252.474 274.872 280.080 1.00 0.00 C +ATOM 63 CA ALA A 63 250.830 273.541 276.911 1.00 0.00 C +ATOM 64 CA ALA A 64 248.385 271.974 274.445 1.00 0.00 C +ATOM 65 CA GLY A 65 245.102 273.421 273.161 1.00 0.00 C +ATOM 66 CA SER A 66 241.566 274.445 274.140 1.00 0.00 C +ATOM 67 CA SER A 67 238.925 272.268 275.815 1.00 0.00 C +ATOM 68 CA SER A 68 235.586 272.216 273.981 1.00 0.00 C +ATOM 69 CA LYS A 69 234.303 269.553 271.577 1.00 0.00 C +ATOM 70 CA PRO A 70 232.900 266.020 271.317 1.00 0.00 C +ATOM 71 CA LYS A 71 231.458 263.400 268.957 1.00 0.00 C +ATOM 72 CA ALA A 72 233.474 261.902 266.092 1.00 0.00 C +ATOM 73 CA ALA A 73 236.506 262.984 264.054 1.00 0.00 C +ATOM 74 CA VAL A 74 238.045 266.328 265.037 1.00 0.00 C +ATOM 75 CA ALA A 75 238.343 268.349 261.821 1.00 0.00 C +ATOM 76 CA THR A 76 237.285 269.940 258.525 1.00 0.00 C +ATOM 77 CA GLY A 77 233.615 269.530 257.587 1.00 0.00 C +ATOM 78 CA GLU A 78 230.742 270.887 259.689 1.00 0.00 C +ATOM 79 CA MET A 79 227.278 269.343 259.319 1.00 0.00 C +ATOM 80 CA THR A 80 226.259 268.965 255.667 1.00 0.00 C +ATOM 81 CA ARG A 81 226.702 267.564 252.152 1.00 0.00 C +ATOM 82 CA ASP A 82 225.393 264.607 250.138 1.00 0.00 C +ATOM 83 CA GLU A 83 223.320 261.642 251.335 1.00 0.00 C +ATOM 84 CA ARG A 84 224.264 259.314 254.199 1.00 0.00 C +ATOM 85 CA ARG A 85 222.166 256.871 256.235 1.00 0.00 C +ATOM 86 CA ALA A 86 222.846 253.407 254.801 1.00 0.00 C +ATOM 87 CA ALA A 87 222.120 250.981 251.954 1.00 0.00 C +ATOM 88 CA GLN A 88 222.246 247.385 253.207 1.00 0.00 C +ATOM 89 CA LYS A 89 220.950 243.847 253.775 1.00 0.00 C +ATOM 90 CA ALA A 90 218.287 241.555 255.247 1.00 0.00 C +ATOM 91 CA LEU A 91 214.617 241.881 254.277 1.00 0.00 C +ATOM 92 CA LYS A 92 211.597 243.614 252.732 1.00 0.00 C +ATOM 93 CA GLU A 93 211.146 242.745 249.050 1.00 0.00 C +ATOM 94 CA ALA A 94 213.272 244.049 246.170 1.00 0.00 C +ATOM 95 CA LYS A 95 216.850 242.749 246.006 1.00 0.00 C +ATOM 96 CA ARG A 96 220.349 241.862 247.226 1.00 0.00 C +ATOM 97 CA ALA A 97 223.850 242.651 245.946 1.00 0.00 C +ATOM 98 CA GLN A 98 227.234 241.259 247.006 1.00 0.00 C +ATOM 99 CA LEU A 99 229.842 238.603 247.819 1.00 0.00 C +ATOM 100 CA ALA A 100 229.886 234.796 247.664 1.00 0.00 C +ATOM 101 CA LYS A 101 232.752 232.320 247.244 1.00 0.00 C +ATOM 102 CA GLY A 102 236.544 231.975 247.366 1.00 0.00 C +ATOM 103 CA VAL A 103 237.744 234.197 250.219 1.00 0.00 C +ATOM 104 CA ALA A 104 236.426 237.436 251.731 1.00 0.00 C +ATOM 105 CA GLY A 105 235.917 241.173 251.197 1.00 0.00 C +ATOM 106 CA MET A 106 236.562 243.463 248.220 1.00 0.00 C +ATOM 107 CA SER A 107 235.423 245.511 245.216 1.00 0.00 C +ATOM 108 CA LEU A 108 236.732 248.965 244.281 1.00 0.00 C +ATOM 109 CA SER A 109 238.640 251.323 241.975 1.00 0.00 C +ATOM 110 CA ASP A 110 242.057 250.097 240.819 1.00 0.00 C +ATOM 111 CA ASP A 111 245.095 249.653 238.564 1.00 0.00 C +ATOM 112 CA GLU A 112 247.001 251.422 235.779 1.00 0.00 C +ATOM 113 CA ASP A 113 248.484 249.361 232.938 1.00 0.00 C +ATOM 114 CA GLU A 114 248.134 245.703 231.931 1.00 0.00 C +ATOM 115 CA GLU A 115 250.279 242.900 233.364 1.00 0.00 C +ATOM 116 CA GLU A 116 251.052 240.215 230.774 1.00 0.00 C +ATOM 117 CA GLU A 117 250.136 240.323 227.077 1.00 0.00 C +ATOM 118 CA GLU A 118 248.446 242.121 224.174 1.00 0.00 C +ATOM 119 CA ALA A 119 250.039 243.302 220.921 1.00 0.00 C +ATOM 120 CA PRO A 120 252.140 241.253 218.490 1.00 0.00 C +ATOM 121 CA GLN A 121 253.525 242.438 215.145 1.00 0.00 C +ATOM 122 CA PRO A 122 253.267 242.359 211.344 1.00 0.00 C +ATOM 123 CA GLN A 123 253.605 244.518 208.223 1.00 0.00 C +ATOM 124 CA PRO A 124 254.965 245.580 204.826 1.00 0.00 C +ATOM 125 CA GLN A 125 257.136 245.655 201.696 1.00 0.00 C +ATOM 126 CA LYS A 126 258.070 242.053 200.878 1.00 0.00 C +ATOM 127 CA ALA A 127 259.795 240.236 198.007 1.00 0.00 C +ATOM 128 CA PRO A 128 259.959 240.023 194.207 1.00 0.00 C +ATOM 129 CA ARG A 129 260.024 238.887 190.571 1.00 0.00 C +ATOM 130 CA GLY A 130 256.591 237.665 189.459 1.00 0.00 C +ATOM 131 CA ALA A 131 254.277 235.578 187.267 1.00 0.00 C +ATOM 132 CA PRO A 132 250.573 236.429 186.996 1.00 0.00 C +ATOM 133 CA PRO A 133 249.130 235.977 183.499 1.00 0.00 C +ATOM 134 CA GLY A 134 247.926 232.922 181.566 1.00 0.00 C +ATOM 135 CA ASN A 135 245.347 230.424 182.840 1.00 0.00 C +ATOM 136 CA PRO A 136 245.661 226.648 183.239 1.00 0.00 C +ATOM 137 CA ASN A 137 246.787 224.412 180.367 1.00 0.00 C +ATOM 138 CA GLU A 138 243.672 222.850 178.827 1.00 0.00 C +ATOM 139 CA GLY A 139 240.427 222.684 180.818 1.00 0.00 C +ATOM 140 CA ASN A 140 239.553 224.049 184.265 1.00 0.00 C +ATOM 141 CA ALA A 141 238.536 226.271 187.189 1.00 0.00 C +ATOM 142 CA GLU A 142 236.519 225.704 190.371 1.00 0.00 C +ATOM 143 CA PRO A 143 236.916 225.025 194.099 1.00 0.00 C +ATOM 144 CA THR A 144 238.399 224.766 197.599 1.00 0.00 C +ATOM 145 CA MET A 145 240.857 222.067 198.687 1.00 0.00 C +ATOM 146 CA SER A 146 243.010 222.094 201.831 1.00 0.00 C +ATOM 147 CA ARG A 147 243.057 225.512 203.513 1.00 0.00 C +ATOM 148 CA ARG A 148 244.986 227.977 201.340 1.00 0.00 C +ATOM 149 CA GLU A 149 246.503 229.991 198.484 1.00 0.00 C +ATOM 150 CA ARG A 150 244.065 230.037 195.556 1.00 0.00 C +ATOM 151 CA GLU A 151 245.910 230.472 192.251 1.00 0.00 C +ATOM 152 CA ALA A 152 247.755 227.176 191.753 1.00 0.00 C +ATOM 153 CA ALA A 153 250.986 226.248 193.546 1.00 0.00 C +ATOM 154 CA GLU A 154 253.989 224.208 194.703 1.00 0.00 C +ATOM 155 CA ALA A 155 256.021 225.684 197.568 1.00 0.00 C +ATOM 156 CA ALA A 156 254.472 225.652 201.049 1.00 0.00 C +ATOM 157 CA ALA A 157 254.447 228.472 203.611 1.00 0.00 C +ATOM 158 CA ALA A 158 253.486 231.995 204.698 1.00 0.00 C +ATOM 159 CA LYS A 159 256.367 233.867 206.344 1.00 0.00 C +ATOM 160 CA GLU A 160 259.395 235.670 204.898 1.00 0.00 C +ATOM 161 CA ARG A 161 262.583 237.736 204.601 1.00 0.00 C +ATOM 162 CA TYR A 162 265.685 238.781 202.651 1.00 0.00 C +ATOM 163 CA ARG A 163 267.529 241.977 203.599 1.00 0.00 C +ATOM 164 CA LYS A 164 271.156 241.558 202.510 1.00 0.00 C +ATOM 165 CA LEU A 165 274.779 240.381 202.455 1.00 0.00 C +ATOM 166 CA HIS A 166 276.326 241.992 205.541 1.00 0.00 C +ATOM 167 CA GLU A 167 277.784 245.209 206.970 1.00 0.00 C +ATOM 168 CA ALA A 168 278.270 244.577 210.696 1.00 0.00 C +ATOM 169 CA GLY A 169 278.439 244.212 214.484 1.00 0.00 C +ATOM 170 CA LYS A 170 280.186 247.018 216.379 1.00 0.00 C +ATOM 171 CA THR A 171 278.530 249.433 218.818 1.00 0.00 C +ATOM 172 CA GLU A 172 274.764 249.311 219.382 1.00 0.00 C +ATOM 173 CA GLU A 173 271.239 249.353 217.937 1.00 0.00 C +ATOM 174 CA ALA A 174 270.567 251.745 215.048 1.00 0.00 C +ATOM 175 CA LYS A 175 268.442 254.576 216.458 1.00 0.00 C +ATOM 176 CA SER A 176 267.006 257.296 218.706 1.00 0.00 C +ATOM 177 CA ASP A 177 265.936 256.115 222.166 1.00 0.00 C +ATOM 178 CA LEU A 178 269.056 255.070 224.087 1.00 0.00 C +ATOM 179 CA ALA A 179 271.129 253.604 226.928 1.00 0.00 C +ATOM 180 CA ARG A 180 274.844 253.851 227.736 1.00 0.00 C +ATOM 181 CA LEU A 181 278.457 254.983 227.307 1.00 0.00 C +ATOM 182 CA ALA A 182 278.671 258.741 227.893 1.00 0.00 C +ATOM 183 CA LEU A 183 278.895 262.049 229.770 1.00 0.00 C +ATOM 184 CA ILE A 184 275.670 263.834 230.735 1.00 0.00 C +ATOM 185 CA ARG A 185 275.956 265.794 233.990 1.00 0.00 C +ATOM 186 CA LYS A 186 273.760 264.017 236.547 1.00 0.00 C +ATOM 187 CA GLU A 187 270.165 262.761 236.656 1.00 0.00 C +ATOM 188 CA ARG A 188 267.542 263.404 239.343 1.00 0.00 C +ATOM 189 CA GLU A 189 264.353 265.481 239.155 1.00 0.00 C +ATOM 190 CA GLU A 190 261.726 268.226 238.872 1.00 0.00 C +ATOM 191 CA LYS A 191 258.113 267.032 239.073 1.00 0.00 C +ATOM 192 CA ALA A 192 254.719 265.998 237.685 1.00 0.00 C +ATOM 193 CA LYS A 193 251.745 265.875 240.063 1.00 0.00 C +ATOM 194 CA GLN A 194 249.621 268.976 240.687 1.00 0.00 C +ATOM 195 CA ARG A 195 248.828 270.937 237.517 1.00 0.00 C +ATOM 196 CA ALA A 196 247.999 268.545 234.670 1.00 0.00 C +ATOM 197 CA ALA A 197 245.653 265.933 233.190 1.00 0.00 C +ATOM 198 CA GLU A 198 244.940 262.963 230.913 1.00 0.00 C +ATOM 199 CA LEU A 199 243.153 259.634 230.421 1.00 0.00 C +ATOM 200 CA GLU A 200 240.006 257.837 229.245 1.00 0.00 C +ATOM 201 CA GLU A 201 237.643 257.248 226.315 1.00 0.00 C +ATOM 202 CA LYS A 202 238.299 253.765 224.918 1.00 0.00 C +ATOM 203 CA LYS A 203 238.219 250.862 227.385 1.00 0.00 C +ATOM 204 CA ARG A 204 236.926 249.620 230.746 1.00 0.00 C +ATOM 205 CA GLN A 205 234.374 252.046 232.201 1.00 0.00 C +ATOM 206 CA ALA A 206 230.753 251.887 231.026 1.00 0.00 C +ATOM 207 CA ASP A 207 229.695 250.325 227.715 1.00 0.00 C +ATOM 208 CA ILE A 208 228.075 247.942 225.223 1.00 0.00 C +ATOM 209 CA LYS A 209 225.732 247.859 222.220 1.00 0.00 C +ATOM 210 CA ALA A 210 224.687 244.217 221.815 1.00 0.00 C +ATOM 211 CA LYS A 211 226.169 240.957 220.516 1.00 0.00 C +ATOM 212 CA ALA A 212 228.396 237.925 219.913 1.00 0.00 C +ATOM 213 CA SER A 213 230.066 234.814 221.347 1.00 0.00 C +ATOM 214 CA GLY A 214 232.267 231.806 222.134 1.00 0.00 C +ATOM 215 CA LYS A 215 233.955 229.606 219.522 1.00 0.00 C +ATOM 216 CA LYS A 216 232.065 226.439 218.567 1.00 0.00 C +ATOM 217 CA MET A 217 232.678 222.709 218.083 1.00 0.00 C +ATOM 218 CA LYS A 218 232.764 219.693 220.409 1.00 0.00 C +TER 219 LYS A 218 +END diff --git a/Fungi/A0A7D8UZQ4/A0A7D8UZQ4.dcd b/Fungi/A0A7D8UZQ4/A0A7D8UZQ4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..506b41a519371154631a1b42b9e0ff1c03888b2a --- /dev/null +++ b/Fungi/A0A7D8UZQ4/A0A7D8UZQ4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:00a685e755edcbe51f99f92fa52f0aad054b282110c1f2d86a9dff59659951fc +size 20960276 diff --git a/Fungi/A0A7D8UZQ4/top.pdb b/Fungi/A0A7D8UZQ4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..030d7165e4df7b0852b95d0ccbd736ca4ae82521 --- /dev/null +++ b/Fungi/A0A7D8UZQ4/top.pdb @@ -0,0 +1,172 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 221.411 205.970 256.073 1.00 0.00 C +ATOM 2 CA SER A 2 218.677 208.076 254.458 1.00 0.00 C +ATOM 3 CA GLN A 3 219.226 207.959 250.690 1.00 0.00 C +ATOM 4 CA PRO A 4 218.955 210.269 247.672 1.00 0.00 C +ATOM 5 CA GLN A 5 221.016 213.095 246.160 1.00 0.00 C +ATOM 6 CA THR A 6 222.700 211.810 242.993 1.00 0.00 C +ATOM 7 CA SER A 7 220.565 209.593 240.746 1.00 0.00 C +ATOM 8 CA ASN A 8 221.642 209.872 237.102 1.00 0.00 C +ATOM 9 CA ILE A 9 220.271 213.116 235.648 1.00 0.00 C +ATOM 10 CA THR A 10 220.179 216.760 236.755 1.00 0.00 C +ATOM 11 CA PHE A 11 222.270 219.001 239.018 1.00 0.00 C +ATOM 12 CA ASP A 12 221.542 217.905 242.594 1.00 0.00 C +ATOM 13 CA VAL A 13 223.013 219.180 245.869 1.00 0.00 C +ATOM 14 CA ASP A 14 226.509 220.686 246.038 1.00 0.00 C +ATOM 15 CA THR A 15 229.478 219.226 247.929 1.00 0.00 C +ATOM 16 CA LEU A 16 232.722 218.144 246.250 1.00 0.00 C +ATOM 17 CA ARG A 17 235.154 220.973 245.474 1.00 0.00 C +ATOM 18 CA ARG A 18 234.330 223.699 248.006 1.00 0.00 C +ATOM 19 CA TYR A 19 234.296 222.884 251.728 1.00 0.00 C +ATOM 20 CA ASP A 20 237.055 223.104 254.345 1.00 0.00 C +ATOM 21 CA THR A 21 237.358 223.791 258.081 1.00 0.00 C +ATOM 22 CA ALA A 22 236.702 221.320 260.906 1.00 0.00 C +ATOM 23 CA LYS A 23 237.584 219.145 263.907 1.00 0.00 C +ATOM 24 CA SER A 24 235.304 217.493 266.474 1.00 0.00 C +ATOM 25 CA THR A 25 233.868 218.306 269.908 1.00 0.00 C +ATOM 26 CA THR A 26 233.308 221.083 272.455 1.00 0.00 C +ATOM 27 CA SER A 27 232.913 224.747 273.423 1.00 0.00 C +ATOM 28 CA ARG A 28 236.042 226.805 272.720 1.00 0.00 C +ATOM 29 CA GLY A 29 239.435 228.221 271.722 1.00 0.00 C +ATOM 30 CA SER A 30 242.457 228.173 269.402 1.00 0.00 C +ATOM 31 CA ASN A 31 245.138 230.108 267.509 1.00 0.00 C +ATOM 32 CA GLU A 32 246.909 232.668 269.706 1.00 0.00 C +ATOM 33 CA VAL A 33 247.241 235.503 272.230 1.00 0.00 C +ATOM 34 CA ASP A 34 249.299 238.705 272.057 1.00 0.00 C +ATOM 35 CA PRO A 35 251.829 240.768 270.092 1.00 0.00 C +ATOM 36 CA GLU A 36 251.628 241.688 266.401 1.00 0.00 C +ATOM 37 CA ASP A 37 248.462 241.923 264.294 1.00 0.00 C +ATOM 38 CA GLU A 38 245.651 239.655 263.079 1.00 0.00 C +ATOM 39 CA LYS A 39 243.617 239.787 259.860 1.00 0.00 C +ATOM 40 CA HIS A 40 240.216 241.357 260.556 1.00 0.00 C +ATOM 41 CA ASP A 41 240.201 242.976 264.005 1.00 0.00 C +ATOM 42 CA TRP A 42 237.630 242.425 266.761 1.00 0.00 C +ATOM 43 CA THR A 43 234.362 241.004 265.412 1.00 0.00 C +ATOM 44 CA GLN A 44 232.460 244.001 264.028 1.00 0.00 C +ATOM 45 CA THR A 45 228.851 243.527 265.154 1.00 0.00 C +ATOM 46 CA THR A 46 226.096 240.896 265.070 1.00 0.00 C +ATOM 47 CA ASP A 47 223.412 241.309 262.398 1.00 0.00 C +ATOM 48 CA GLU A 48 223.460 244.933 261.224 1.00 0.00 C +ATOM 49 CA LYS A 49 223.342 247.461 264.072 1.00 0.00 C +ATOM 50 CA ASP A 50 222.004 247.054 267.616 1.00 0.00 C +ATOM 51 CA SER A 51 219.169 249.426 268.541 1.00 0.00 C +ATOM 52 CA TRP A 52 217.695 250.063 271.996 1.00 0.00 C +ATOM 53 CA ALA A 53 214.562 252.142 271.381 1.00 0.00 C +ATOM 54 CA THR A 54 211.306 252.865 273.222 1.00 0.00 C +ATOM 55 CA ARG A 55 209.847 255.143 275.905 1.00 0.00 C +ATOM 56 CA GLU A 56 208.136 254.965 279.305 1.00 0.00 C +ATOM 57 CA ARG A 57 206.217 257.483 281.424 1.00 0.00 C +ATOM 58 CA ARG A 58 207.961 257.807 284.795 1.00 0.00 C +ATOM 59 CA ARG A 59 208.921 258.172 288.464 1.00 0.00 C +ATOM 60 CA SER A 60 209.876 254.713 289.744 1.00 0.00 C +ATOM 61 CA SER A 61 209.893 251.585 287.569 1.00 0.00 C +ATOM 62 CA VAL A 62 209.105 248.071 286.326 1.00 0.00 C +ATOM 63 CA TRP A 63 212.338 246.229 285.508 1.00 0.00 C +ATOM 64 CA ASN A 64 213.846 243.810 282.980 1.00 0.00 C +ATOM 65 CA GLY A 65 215.864 240.591 282.692 1.00 0.00 C +ATOM 66 CA LEU A 66 218.592 238.137 283.721 1.00 0.00 C +ATOM 67 CA ASP A 67 220.279 236.118 280.966 1.00 0.00 C +ATOM 68 CA ALA A 68 223.886 237.346 280.993 1.00 0.00 C +ATOM 69 CA ALA A 69 226.825 234.959 281.417 1.00 0.00 C +ATOM 70 CA GLY A 70 228.984 234.217 278.366 1.00 0.00 C +ATOM 71 CA VAL A 71 228.340 235.688 274.911 1.00 0.00 C +ATOM 72 CA HIS A 72 231.150 238.126 274.089 1.00 0.00 C +ATOM 73 CA LYS A 73 234.176 237.289 271.931 1.00 0.00 C +ATOM 74 CA LYS A 74 235.948 234.099 270.835 1.00 0.00 C +ATOM 75 CA ARG A 75 236.513 233.417 267.129 1.00 0.00 C +ATOM 76 CA ALA A 76 235.033 230.871 264.713 1.00 0.00 C +ATOM 77 CA ASP A 77 237.912 229.568 262.585 1.00 0.00 C +ATOM 78 CA SER A 78 240.903 231.915 262.834 1.00 0.00 C +ATOM 79 CA SER A 79 243.405 232.350 259.994 1.00 0.00 C +ATOM 80 CA ASN A 80 246.873 233.478 258.889 1.00 0.00 C +ATOM 81 CA SER A 81 248.487 232.136 255.710 1.00 0.00 C +ATOM 82 CA SER A 82 251.375 232.010 253.228 1.00 0.00 C +ATOM 83 CA GLY A 83 253.727 232.143 250.234 1.00 0.00 C +ATOM 84 CA ALA A 84 252.676 229.946 247.304 1.00 0.00 C +ATOM 85 CA GLY A 85 255.087 226.997 247.390 1.00 0.00 C +ATOM 86 CA ASP A 86 258.808 226.614 248.117 1.00 0.00 C +ATOM 87 CA ARG A 87 262.261 227.566 249.417 1.00 0.00 C +ATOM 88 CA ARG A 88 264.928 229.323 247.340 1.00 0.00 C +ATOM 89 CA GLY A 89 263.706 231.167 244.238 1.00 0.00 C +ATOM 90 CA SER A 90 265.358 234.463 243.275 1.00 0.00 C +ATOM 91 CA ILE A 91 266.437 237.567 241.349 1.00 0.00 C +ATOM 92 CA LEU A 92 264.003 240.498 241.293 1.00 0.00 C +ATOM 93 CA SER A 93 260.210 240.734 241.564 1.00 0.00 C +ATOM 94 CA LEU A 94 259.235 244.378 242.100 1.00 0.00 C +ATOM 95 CA TRP A 95 262.415 246.475 242.040 1.00 0.00 C +ATOM 96 CA SER A 96 262.516 250.096 240.860 1.00 0.00 C +ATOM 97 CA SER A 97 264.643 250.830 237.785 1.00 0.00 C +ATOM 98 CA GLY A 98 268.350 250.784 238.662 1.00 0.00 C +ATOM 99 CA LYS A 99 271.353 250.671 241.005 1.00 0.00 C +ATOM 100 CA ASP A 100 273.675 248.160 242.685 1.00 0.00 C +ATOM 101 CA LYS A 101 274.669 244.535 243.302 1.00 0.00 C +ATOM 102 CA ASP A 102 272.328 241.894 241.866 1.00 0.00 C +ATOM 103 CA GLY A 103 272.505 239.909 238.619 1.00 0.00 C +ATOM 104 CA LYS A 104 273.832 242.071 235.776 1.00 0.00 C +ATOM 105 CA HIS A 105 273.349 245.061 233.464 1.00 0.00 C +ATOM 106 CA THR A 106 270.522 247.464 232.598 1.00 0.00 C +ATOM 107 CA LEU A 107 268.616 250.760 232.444 1.00 0.00 C +ATOM 108 CA HIS A 108 266.690 254.028 232.100 1.00 0.00 C +ATOM 109 CA HIS A 109 266.891 256.771 234.738 1.00 0.00 C +ATOM 110 CA ASP A 110 265.679 260.353 234.275 1.00 0.00 C +ATOM 111 CA ASP A 111 263.872 261.984 231.344 1.00 0.00 C +ATOM 112 CA HIS A 112 262.553 264.558 228.864 1.00 0.00 C +ATOM 113 CA GLU A 113 263.344 265.266 225.205 1.00 0.00 C +ATOM 114 CA ASP A 114 265.980 265.632 222.478 1.00 0.00 C +ATOM 115 CA VAL A 115 265.718 267.029 218.943 1.00 0.00 C +ATOM 116 CA ALA A 116 268.438 269.649 218.445 1.00 0.00 C +ATOM 117 CA ILE A 117 272.175 268.909 218.483 1.00 0.00 C +ATOM 118 CA VAL A 118 273.837 267.460 221.590 1.00 0.00 C +ATOM 119 CA GLU A 119 275.075 266.372 225.025 1.00 0.00 C +ATOM 120 CA ASP A 120 276.315 266.927 228.585 1.00 0.00 C +ATOM 121 CA GLU A 121 278.156 263.717 229.491 1.00 0.00 C +ATOM 122 CA HIS A 122 281.191 264.817 231.513 1.00 0.00 C +ATOM 123 CA ILE A 123 284.966 264.323 231.680 1.00 0.00 C +ATOM 124 CA PRO A 124 288.509 265.697 231.410 1.00 0.00 C +ATOM 125 CA GLU A 125 288.149 268.830 229.271 1.00 0.00 C +ATOM 126 CA LYS A 126 287.425 270.728 226.048 1.00 0.00 C +ATOM 127 CA ASP A 127 287.412 274.408 227.033 1.00 0.00 C +ATOM 128 CA GLN A 128 285.452 275.700 230.034 1.00 0.00 C +ATOM 129 CA THR A 129 282.663 275.476 232.620 1.00 0.00 C +ATOM 130 CA SER A 130 279.378 275.844 230.725 1.00 0.00 C +ATOM 131 CA PRO A 131 277.012 273.199 232.111 1.00 0.00 C +ATOM 132 CA ALA A 132 273.555 272.236 233.389 1.00 0.00 C +ATOM 133 CA LEU A 133 270.690 273.377 235.628 1.00 0.00 C +ATOM 134 CA ARG A 134 270.257 270.509 238.098 1.00 0.00 C +ATOM 135 CA PRO A 135 267.308 268.138 237.663 1.00 0.00 C +ATOM 136 CA THR A 136 265.212 268.245 234.483 1.00 0.00 C +ATOM 137 CA ASN A 137 267.031 270.029 231.650 1.00 0.00 C +ATOM 138 CA PRO A 138 269.637 268.846 229.135 1.00 0.00 C +ATOM 139 CA ARG A 139 271.383 271.469 226.993 1.00 0.00 C +ATOM 140 CA ASP A 140 274.589 273.371 226.202 1.00 0.00 C +ATOM 141 CA THR A 141 274.541 273.962 222.439 1.00 0.00 C +ATOM 142 CA ARG A 142 277.447 276.209 221.429 1.00 0.00 C +ATOM 143 CA ARG A 143 279.215 278.632 223.778 1.00 0.00 C +ATOM 144 CA GLY A 144 278.958 280.902 226.827 1.00 0.00 C +ATOM 145 CA SER A 145 275.710 281.980 228.503 1.00 0.00 C +ATOM 146 CA ILE A 146 271.939 281.867 229.030 1.00 0.00 C +ATOM 147 CA LEU A 147 269.083 279.704 230.327 1.00 0.00 C +ATOM 148 CA SER A 148 265.605 279.019 228.930 1.00 0.00 C +ATOM 149 CA MET A 149 261.936 278.527 229.833 1.00 0.00 C +ATOM 150 CA TRP A 150 260.979 280.372 233.026 1.00 0.00 C +ATOM 151 CA LYS A 151 260.481 280.784 236.781 1.00 0.00 C +ATOM 152 CA PRO A 152 259.467 281.009 240.446 1.00 0.00 C +ATOM 153 CA GLY A 153 259.667 284.703 241.359 1.00 0.00 C +ATOM 154 CA LYS A 154 259.665 287.595 238.878 1.00 0.00 C +ATOM 155 CA ASP A 155 262.461 289.874 240.105 1.00 0.00 C +ATOM 156 CA GLU A 156 263.881 290.622 243.561 1.00 0.00 C +ATOM 157 CA LYS A 157 266.565 288.467 245.193 1.00 0.00 C +ATOM 158 CA GLY A 158 267.904 289.628 248.566 1.00 0.00 C +ATOM 159 CA ARG A 159 271.582 288.643 248.695 1.00 0.00 C +ATOM 160 CA SER A 160 274.206 286.955 246.507 1.00 0.00 C +ATOM 161 CA ILE A 161 276.228 288.197 243.526 1.00 0.00 C +ATOM 162 CA ILE A 162 275.831 291.858 242.549 1.00 0.00 C +ATOM 163 CA HIS A 163 273.492 294.654 243.656 1.00 0.00 C +ATOM 164 CA HIS A 164 272.978 295.807 247.251 1.00 0.00 C +ATOM 165 CA ALA A 165 272.479 298.263 250.121 1.00 0.00 C +ATOM 166 CA ASP A 166 268.940 298.972 251.340 1.00 0.00 C +ATOM 167 CA GLU A 167 269.283 301.961 253.677 1.00 0.00 C +ATOM 168 CA ASP A 168 266.518 303.885 255.457 1.00 0.00 C +TER 169 ASP A 168 +END diff --git a/Fungi/A0A7H8RB03/A0A7H8RB03.dcd b/Fungi/A0A7H8RB03/A0A7H8RB03.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b49a58b47bdd753ecad1f439a4d6f7e395afa3f8 --- /dev/null +++ b/Fungi/A0A7H8RB03/A0A7H8RB03.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bbeac3029342957a3058deb919fdeb2d7d2f5b9111db1257c6762b0237e89cf9 +size 11000276 diff --git a/Fungi/A0A7H8RB03/top.pdb b/Fungi/A0A7H8RB03/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ccc436b9559d646e3771507a5c2c23bff72c2f0d --- /dev/null +++ b/Fungi/A0A7H8RB03/top.pdb @@ -0,0 +1,89 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 224.330 237.057 250.231 1.00 0.00 C +ATOM 2 CA PRO A 2 223.698 238.948 253.478 1.00 0.00 C +ATOM 3 CA ARG A 3 224.244 240.974 256.658 1.00 0.00 C +ATOM 4 CA HIS A 4 226.837 243.731 257.095 1.00 0.00 C +ATOM 5 CA THR A 5 230.647 243.733 257.070 1.00 0.00 C +ATOM 6 CA TYR A 6 231.601 246.602 254.751 1.00 0.00 C +ATOM 7 CA ARG A 7 234.488 248.564 253.225 1.00 0.00 C +ATOM 8 CA GLU A 8 237.047 250.786 254.966 1.00 0.00 C +ATOM 9 CA GLU A 9 236.714 254.329 256.326 1.00 0.00 C +ATOM 10 CA HIS A 10 233.238 255.467 255.258 1.00 0.00 C +ATOM 11 CA PRO A 11 230.653 257.285 253.130 1.00 0.00 C +ATOM 12 CA PHE A 12 229.382 260.802 252.400 1.00 0.00 C +ATOM 13 CA PRO A 13 225.636 261.228 251.854 1.00 0.00 C +ATOM 14 CA LYS A 14 223.921 264.462 250.794 1.00 0.00 C +ATOM 15 CA ARG A 15 226.176 267.439 251.545 1.00 0.00 C +ATOM 16 CA ALA A 16 229.846 268.427 251.815 1.00 0.00 C +ATOM 17 CA PHE A 17 232.378 266.822 249.464 1.00 0.00 C +ATOM 18 CA GLY A 18 233.731 263.685 247.777 1.00 0.00 C +ATOM 19 CA ARG A 19 237.445 262.906 248.115 1.00 0.00 C +ATOM 20 CA VAL A 20 239.627 259.811 247.700 1.00 0.00 C +ATOM 21 CA LEU A 21 241.105 258.431 244.471 1.00 0.00 C +ATOM 22 CA ASP A 22 241.332 255.675 241.849 1.00 0.00 C +ATOM 23 CA ASP A 23 240.009 253.644 238.910 1.00 0.00 C +ATOM 24 CA ASP A 24 241.885 250.329 238.828 1.00 0.00 C +ATOM 25 CA ARG A 25 243.624 247.036 238.021 1.00 0.00 C +ATOM 26 CA PRO A 26 247.319 246.784 238.915 1.00 0.00 C +ATOM 27 CA VAL A 27 249.696 249.760 238.883 1.00 0.00 C +ATOM 28 CA ASP A 28 252.125 252.693 238.750 1.00 0.00 C +ATOM 29 CA ASP A 29 254.881 255.266 239.297 1.00 0.00 C +ATOM 30 CA PHE A 30 256.653 257.286 241.999 1.00 0.00 C +ATOM 31 CA GLU A 31 259.949 257.345 243.909 1.00 0.00 C +ATOM 32 CA ASN A 32 263.469 256.858 245.283 1.00 0.00 C +ATOM 33 CA THR A 33 266.379 258.951 243.993 1.00 0.00 C +ATOM 34 CA VAL A 34 269.915 259.684 242.778 1.00 0.00 C +ATOM 35 CA ARG A 35 270.976 258.475 239.324 1.00 0.00 C +ATOM 36 CA GLN A 36 272.762 258.005 235.991 1.00 0.00 C +ATOM 37 CA GLN A 37 271.512 254.742 234.473 1.00 0.00 C +ATOM 38 CA GLU A 38 268.135 253.000 234.189 1.00 0.00 C +ATOM 39 CA GLU A 39 265.157 254.873 235.650 1.00 0.00 C +ATOM 40 CA GLN A 40 262.736 252.219 236.920 1.00 0.00 C +ATOM 41 CA THR A 41 261.861 248.557 237.502 1.00 0.00 C +ATOM 42 CA LYS A 42 264.548 247.230 239.855 1.00 0.00 C +ATOM 43 CA ALA A 43 267.759 246.948 237.822 1.00 0.00 C +ATOM 44 CA ALA A 44 271.263 248.371 238.283 1.00 0.00 C +ATOM 45 CA GLN A 45 273.740 250.470 240.275 1.00 0.00 C +ATOM 46 CA ARG A 46 274.970 254.029 240.860 1.00 0.00 C +ATOM 47 CA GLY A 47 276.536 256.497 243.303 1.00 0.00 C +ATOM 48 CA PRO A 48 276.072 259.476 245.632 1.00 0.00 C +ATOM 49 CA SER A 49 278.231 262.539 244.943 1.00 0.00 C +ATOM 50 CA PRO A 50 278.230 265.925 243.196 1.00 0.00 C +ATOM 51 CA PRO A 51 275.707 268.444 244.537 1.00 0.00 C +ATOM 52 CA ASN A 52 272.095 267.415 243.898 1.00 0.00 C +ATOM 53 CA ARG A 53 270.389 266.348 247.133 1.00 0.00 C +ATOM 54 CA ALA A 54 267.316 265.170 249.053 1.00 0.00 C +ATOM 55 CA ALA A 55 264.125 263.226 249.794 1.00 0.00 C +ATOM 56 CA ALA A 56 261.454 261.798 252.106 1.00 0.00 C +ATOM 57 CA THR A 57 259.653 258.540 251.295 1.00 0.00 C +ATOM 58 CA HIS A 58 258.988 254.915 252.261 1.00 0.00 C +ATOM 59 CA GLU A 59 255.591 253.192 252.311 1.00 0.00 C +ATOM 60 CA TYR A 60 255.218 249.439 252.855 1.00 0.00 C +ATOM 61 CA ALA A 61 257.835 247.157 251.288 1.00 0.00 C +ATOM 62 CA PRO A 62 256.964 243.494 250.706 1.00 0.00 C +ATOM 63 CA HIS A 63 259.166 240.390 250.885 1.00 0.00 C +ATOM 64 CA MET A 64 260.197 237.352 252.941 1.00 0.00 C +ATOM 65 CA GLN A 65 257.645 234.523 252.898 1.00 0.00 C +ATOM 66 CA HIS A 66 254.853 233.670 255.345 1.00 0.00 C +ATOM 67 CA GLN A 67 252.613 235.116 258.067 1.00 0.00 C +ATOM 68 CA PRO A 68 250.137 236.947 260.310 1.00 0.00 C +ATOM 69 CA GLY A 69 248.488 240.294 259.536 1.00 0.00 C +ATOM 70 CA GLY A 70 247.529 243.078 261.953 1.00 0.00 C +ATOM 71 CA SER A 71 244.589 245.477 262.294 1.00 0.00 C +ATOM 72 CA GLU A 72 240.815 245.826 261.899 1.00 0.00 C +ATOM 73 CA GLY A 73 237.963 243.322 262.224 1.00 0.00 C +ATOM 74 CA LYS A 74 236.001 242.505 265.386 1.00 0.00 C +ATOM 75 CA THR A 75 233.369 241.015 267.704 1.00 0.00 C +ATOM 76 CA ALA A 76 233.213 237.291 266.913 1.00 0.00 C +ATOM 77 CA SER A 77 235.367 234.150 266.976 1.00 0.00 C +ATOM 78 CA LYS A 78 237.325 233.231 263.840 1.00 0.00 C +ATOM 79 CA TYR A 79 236.152 231.238 260.812 1.00 0.00 C +ATOM 80 CA ARG A 80 238.601 230.654 257.952 1.00 0.00 C +ATOM 81 CA SER A 81 242.221 231.811 258.222 1.00 0.00 C +ATOM 82 CA VAL A 82 243.277 231.955 261.880 1.00 0.00 C +ATOM 83 CA SER A 83 244.343 228.541 263.192 1.00 0.00 C +ATOM 84 CA LYS A 84 244.835 225.062 261.716 1.00 0.00 C +ATOM 85 CA HIS A 85 241.497 223.258 262.065 1.00 0.00 C +TER 86 HIS A 85 +END diff --git a/Fungi/A0A7H9B2J6/A0A7H9B2J6.dcd b/Fungi/A0A7H9B2J6/A0A7H9B2J6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c791a27c5b3518e572510f7fe6748397468d5e8e --- /dev/null +++ b/Fungi/A0A7H9B2J6/A0A7H9B2J6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8c9244921f1f2131e0b906d097c741ce66157448b84bcc049241964596f52249 +size 8840276 diff --git a/Fungi/A0A7H9B2J6/top.pdb b/Fungi/A0A7H9B2J6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..61c2a14691fa1870d77e6ea1bb84df171b2d149c --- /dev/null +++ b/Fungi/A0A7H9B2J6/top.pdb @@ -0,0 +1,71 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 256.319 221.698 288.728 1.00 0.00 C +ATOM 2 CA THR A 2 253.706 220.899 291.383 1.00 0.00 C +ATOM 3 CA ASP A 3 250.453 222.660 290.471 1.00 0.00 C +ATOM 4 CA GLU A 4 247.679 224.329 288.461 1.00 0.00 C +ATOM 5 CA LYS A 5 247.420 224.610 284.670 1.00 0.00 C +ATOM 6 CA SER A 6 250.102 226.750 283.014 1.00 0.00 C +ATOM 7 CA SER A 7 251.627 229.765 281.254 1.00 0.00 C +ATOM 8 CA GLU A 8 248.853 231.981 279.873 1.00 0.00 C +ATOM 9 CA PRO A 9 248.276 235.050 277.690 1.00 0.00 C +ATOM 10 CA PRO A 10 247.564 238.461 276.150 1.00 0.00 C +ATOM 11 CA THR A 11 247.159 237.849 272.411 1.00 0.00 C +ATOM 12 CA TYR A 12 246.559 240.540 269.781 1.00 0.00 C +ATOM 13 CA GLU A 13 249.408 243.064 269.967 1.00 0.00 C +ATOM 14 CA GLU A 14 251.885 244.903 272.203 1.00 0.00 C +ATOM 15 CA ALA A 15 255.689 245.068 272.071 1.00 0.00 C +ATOM 16 CA MET A 16 259.067 243.884 270.767 1.00 0.00 C +ATOM 17 CA MET A 17 262.819 243.285 271.046 1.00 0.00 C +ATOM 18 CA GLN A 18 266.077 241.828 269.711 1.00 0.00 C +ATOM 19 CA ASP A 19 268.580 239.152 268.668 1.00 0.00 C +ATOM 20 CA THR A 20 271.589 240.215 266.587 1.00 0.00 C +ATOM 21 CA VAL A 21 271.476 241.885 263.164 1.00 0.00 C +ATOM 22 CA ARG A 22 273.946 244.464 261.836 1.00 0.00 C +ATOM 23 CA GLN A 23 274.361 247.059 259.078 1.00 0.00 C +ATOM 24 CA THR A 24 273.907 245.993 255.449 1.00 0.00 C +ATOM 25 CA GLU A 25 273.280 248.945 253.123 1.00 0.00 C +ATOM 26 CA PRO A 26 274.326 247.683 249.684 1.00 0.00 C +ATOM 27 CA LEU A 27 272.237 247.101 246.551 1.00 0.00 C +ATOM 28 CA THR A 28 271.108 245.951 243.099 1.00 0.00 C +ATOM 29 CA PRO A 29 267.315 246.223 242.871 1.00 0.00 C +ATOM 30 CA SER A 30 263.522 246.588 242.817 1.00 0.00 C +ATOM 31 CA LEU A 31 261.689 249.703 241.613 1.00 0.00 C +ATOM 32 CA PRO A 32 258.623 250.329 239.439 1.00 0.00 C +ATOM 33 CA THR A 33 255.758 247.900 240.081 1.00 0.00 C +ATOM 34 CA ALA A 34 252.969 246.599 242.326 1.00 0.00 C +ATOM 35 CA PRO A 35 252.555 247.120 246.078 1.00 0.00 C +ATOM 36 CA LYS A 36 253.750 250.380 247.647 1.00 0.00 C +ATOM 37 CA GLU A 37 253.076 253.953 246.512 1.00 0.00 C +ATOM 38 CA ASN A 38 253.695 254.364 242.775 1.00 0.00 C +ATOM 39 CA GLY A 39 251.760 254.596 239.501 1.00 0.00 C +ATOM 40 CA GLY A 40 249.152 257.215 238.574 1.00 0.00 C +ATOM 41 CA ALA A 41 247.709 258.783 241.732 1.00 0.00 C +ATOM 42 CA TYR A 42 247.375 258.392 245.508 1.00 0.00 C +ATOM 43 CA HIS A 43 245.601 256.572 248.346 1.00 0.00 C +ATOM 44 CA VAL A 44 241.962 257.670 248.612 1.00 0.00 C +ATOM 45 CA HIS A 45 239.954 258.403 245.458 1.00 0.00 C +ATOM 46 CA ASN A 46 238.737 260.440 242.476 1.00 0.00 C +ATOM 47 CA PRO A 47 236.751 263.640 241.902 1.00 0.00 C +ATOM 48 CA HIS A 48 237.791 267.276 241.439 1.00 0.00 C +ATOM 49 CA LEU A 49 239.340 269.784 239.025 1.00 0.00 C +ATOM 50 CA LYS A 50 239.566 273.180 237.314 1.00 0.00 C +ATOM 51 CA SER A 51 236.614 274.265 235.164 1.00 0.00 C +ATOM 52 CA THR A 52 234.499 271.113 234.830 1.00 0.00 C +ATOM 53 CA ARG A 53 233.430 269.035 231.821 1.00 0.00 C +ATOM 54 CA GLY A 54 235.011 265.816 230.535 1.00 0.00 C +ATOM 55 CA TYR A 55 233.895 262.755 232.509 1.00 0.00 C +ATOM 56 CA PRO A 56 232.177 259.378 232.109 1.00 0.00 C +ATOM 57 CA GLY A 57 228.456 258.635 231.766 1.00 0.00 C +ATOM 58 CA GLY A 58 226.635 257.708 228.550 1.00 0.00 C +ATOM 59 CA ASN A 59 225.672 260.548 226.200 1.00 0.00 C +ATOM 60 CA ARG A 60 228.732 261.213 224.029 1.00 0.00 C +ATOM 61 CA LEU A 61 232.461 261.551 223.326 1.00 0.00 C +ATOM 62 CA THR A 62 234.454 260.414 220.284 1.00 0.00 C +ATOM 63 CA TYR A 63 238.097 260.930 219.295 1.00 0.00 C +ATOM 64 CA GLY A 64 240.900 260.095 216.853 1.00 0.00 C +ATOM 65 CA SER A 65 244.511 260.753 215.829 1.00 0.00 C +ATOM 66 CA LYS A 66 245.922 257.401 214.694 1.00 0.00 C +ATOM 67 CA SER A 67 244.409 254.206 213.274 1.00 0.00 C +TER 68 SER A 67 +END diff --git a/Fungi/A0A7R8ALD8/A0A7R8ALD8.dcd b/Fungi/A0A7R8ALD8/A0A7R8ALD8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e2a7f1069be47ac8ec8ea867f585cb8c1de4d63f --- /dev/null +++ b/Fungi/A0A7R8ALD8/A0A7R8ALD8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1e9f32f59bb5904e7807b621f95641b9987a9add842faf867c90b66e303efa95 +size 8720276 diff --git a/Fungi/A0A7R8ALD8/top.pdb b/Fungi/A0A7R8ALD8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b0fff9f3e6852981fb7a6df816e88df5eb824bc3 --- /dev/null +++ b/Fungi/A0A7R8ALD8/top.pdb @@ -0,0 +1,70 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 274.347 296.301 276.452 1.00 0.00 C +ATOM 2 CA SER A 2 276.130 299.628 275.936 1.00 0.00 C +ATOM 3 CA ARG A 3 275.876 301.550 279.217 1.00 0.00 C +ATOM 4 CA THR A 4 272.550 302.693 280.682 1.00 0.00 C +ATOM 5 CA SER A 5 269.252 301.668 282.291 1.00 0.00 C +ATOM 6 CA VAL A 6 266.632 299.172 283.483 1.00 0.00 C +ATOM 7 CA SER A 7 266.900 295.390 283.854 1.00 0.00 C +ATOM 8 CA SER A 8 263.596 293.495 283.972 1.00 0.00 C +ATOM 9 CA GLU A 9 261.479 290.928 285.827 1.00 0.00 C +ATOM 10 CA ARG A 10 258.990 289.424 283.365 1.00 0.00 C +ATOM 11 CA ILE A 11 260.948 288.709 280.176 1.00 0.00 C +ATOM 12 CA GLU A 12 263.211 287.606 277.316 1.00 0.00 C +ATOM 13 CA GLU A 13 266.616 288.465 275.838 1.00 0.00 C +ATOM 14 CA PHE A 14 267.016 288.088 272.068 1.00 0.00 C +ATOM 15 CA ALA A 15 268.112 285.725 269.288 1.00 0.00 C +ATOM 16 CA GLN A 16 266.890 283.592 266.377 1.00 0.00 C +ATOM 17 CA GLU A 17 264.764 280.434 266.224 1.00 0.00 C +ATOM 18 CA LEU A 18 263.898 277.611 268.631 1.00 0.00 C +ATOM 19 CA LEU A 19 263.608 274.480 266.479 1.00 0.00 C +ATOM 20 CA PRO A 20 262.119 271.191 265.264 1.00 0.00 C +ATOM 21 CA LEU A 21 259.701 269.735 262.704 1.00 0.00 C +ATOM 22 CA ASP A 22 257.021 267.120 262.003 1.00 0.00 C +ATOM 23 CA HIS A 23 256.340 264.531 259.292 1.00 0.00 C +ATOM 24 CA ARG A 24 257.059 260.813 258.878 1.00 0.00 C +ATOM 25 CA ALA A 25 256.872 257.010 258.731 1.00 0.00 C +ATOM 26 CA SER A 26 255.356 253.914 260.354 1.00 0.00 C +ATOM 27 CA ASN A 27 252.392 252.716 258.283 1.00 0.00 C +ATOM 28 CA ASP A 28 252.913 249.099 257.206 1.00 0.00 C +ATOM 29 CA ASP A 29 250.299 246.600 256.008 1.00 0.00 C +ATOM 30 CA THR A 30 248.857 244.329 253.309 1.00 0.00 C +ATOM 31 CA GLN A 31 248.206 244.895 249.598 1.00 0.00 C +ATOM 32 CA ARG A 32 249.406 244.985 245.983 1.00 0.00 C +ATOM 33 CA ASN A 33 251.474 242.252 244.317 1.00 0.00 C +ATOM 34 CA GLU A 34 251.708 238.481 243.829 1.00 0.00 C +ATOM 35 CA ASP A 35 249.912 235.491 245.361 1.00 0.00 C +ATOM 36 CA SER A 36 248.277 233.394 248.090 1.00 0.00 C +ATOM 37 CA GLU A 37 247.466 229.683 248.383 1.00 0.00 C +ATOM 38 CA PRO A 38 248.886 226.200 248.994 1.00 0.00 C +ATOM 39 CA GLU A 39 251.093 225.188 246.058 1.00 0.00 C +ATOM 40 CA SER A 40 254.107 223.130 244.964 1.00 0.00 C +ATOM 41 CA GLU A 41 254.437 220.767 241.994 1.00 0.00 C +ATOM 42 CA SER A 42 254.510 217.374 240.262 1.00 0.00 C +ATOM 43 CA GLU A 43 254.158 214.107 238.333 1.00 0.00 C +ATOM 44 CA HIS A 44 250.393 213.554 238.149 1.00 0.00 C +ATOM 45 CA SER A 45 247.391 212.221 236.218 1.00 0.00 C +ATOM 46 CA ARG A 46 244.601 213.768 234.135 1.00 0.00 C +ATOM 47 CA PRO A 47 244.943 216.980 232.114 1.00 0.00 C +ATOM 48 CA PRO A 48 243.251 219.211 229.529 1.00 0.00 C +ATOM 49 CA SER A 49 242.830 218.670 225.782 1.00 0.00 C +ATOM 50 CA ILE A 50 239.473 220.057 224.632 1.00 0.00 C +ATOM 51 CA GLN A 51 239.885 223.208 222.530 1.00 0.00 C +ATOM 52 CA HIS A 52 236.748 225.233 221.772 1.00 0.00 C +ATOM 53 CA ALA A 53 233.470 225.854 223.611 1.00 0.00 C +ATOM 54 CA LYS A 54 234.137 225.885 227.362 1.00 0.00 C +ATOM 55 CA GLN A 55 233.047 223.633 230.236 1.00 0.00 C +ATOM 56 CA LYS A 56 230.929 225.729 232.611 1.00 0.00 C +ATOM 57 CA PRO A 57 229.889 229.230 231.525 1.00 0.00 C +ATOM 58 CA SER A 58 226.933 228.810 229.159 1.00 0.00 C +ATOM 59 CA THR A 59 223.698 230.817 229.008 1.00 0.00 C +ATOM 60 CA ALA A 60 222.308 231.556 225.538 1.00 0.00 C +ATOM 61 CA GLN A 61 223.528 230.003 222.280 1.00 0.00 C +ATOM 62 CA LYS A 62 223.962 226.287 223.002 1.00 0.00 C +ATOM 63 CA ILE A 63 224.137 223.534 220.374 1.00 0.00 C +ATOM 64 CA GLY A 64 222.943 224.085 216.798 1.00 0.00 C +ATOM 65 CA ALA A 65 220.554 226.536 215.123 1.00 0.00 C +ATOM 66 CA TYR A 66 217.571 227.173 212.840 1.00 0.00 C +TER 67 TYR A 66 +END diff --git a/Fungi/A0A7S9KV96/A0A7S9KV96.dcd b/Fungi/A0A7S9KV96/A0A7S9KV96.dcd new file mode 100644 index 0000000000000000000000000000000000000000..2a2cd73d0674e3b83aba5c40cebb34bf3a78677c --- /dev/null +++ b/Fungi/A0A7S9KV96/A0A7S9KV96.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4169eae68b066180ffb994f9d0050080e0fcfd38b4e6aa2adfd8a8cc63fd436c +size 38640276 diff --git a/Fungi/A0A7S9KV96/top.pdb b/Fungi/A0A7S9KV96/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..98f82a3bc9f5ff867de8e449aeca7e05ef900bfb --- /dev/null +++ b/Fungi/A0A7S9KV96/top.pdb @@ -0,0 +1,212 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 175.196 188.867 264.238 1.00 0.00 C +ATOM 2 CA SER A 2 174.962 191.709 261.711 1.00 0.00 C +ATOM 3 CA ALA A 3 176.657 195.033 260.941 1.00 0.00 C +ATOM 4 CA PRO A 4 174.717 198.238 261.636 1.00 0.00 C +ATOM 5 CA GLY A 5 172.277 201.122 261.141 1.00 0.00 C +ATOM 6 CA PRO A 6 173.668 204.023 259.101 1.00 0.00 C +ATOM 7 CA SER A 7 176.025 206.373 260.956 1.00 0.00 C +ATOM 8 CA SER A 8 179.800 206.695 260.555 1.00 0.00 C +ATOM 9 CA ILE A 9 182.881 207.000 262.775 1.00 0.00 C +ATOM 10 CA PRO A 10 184.545 203.784 263.962 1.00 0.00 C +ATOM 11 CA THR A 11 182.943 201.152 266.203 1.00 0.00 C +ATOM 12 CA SER A 12 180.511 198.258 265.730 1.00 0.00 C +ATOM 13 CA ALA A 13 180.677 195.503 268.357 1.00 0.00 C +ATOM 14 CA ASP A 14 177.881 193.371 269.824 1.00 0.00 C +ATOM 15 CA PRO A 15 174.085 193.181 270.092 1.00 0.00 C +ATOM 16 CA ARG A 16 171.030 195.301 270.924 1.00 0.00 C +ATOM 17 CA SER A 17 169.578 197.259 273.851 1.00 0.00 C +ATOM 18 CA ARG A 18 167.404 200.380 273.626 1.00 0.00 C +ATOM 19 CA ARG A 19 164.105 199.418 275.270 1.00 0.00 C +ATOM 20 CA PRO A 20 162.503 201.993 277.576 1.00 0.00 C +ATOM 21 CA THR A 21 161.898 204.402 280.465 1.00 0.00 C +ATOM 22 CA LYS A 22 161.600 205.801 283.996 1.00 0.00 C +ATOM 23 CA LYS A 23 163.399 204.615 287.138 1.00 0.00 C +ATOM 24 CA ARG A 24 164.909 207.797 288.589 1.00 0.00 C +ATOM 25 CA ALA A 25 165.245 210.130 291.582 1.00 0.00 C +ATOM 26 CA LEU A 26 165.907 210.012 295.332 1.00 0.00 C +ATOM 27 CA SER A 27 167.647 212.607 297.514 1.00 0.00 C +ATOM 28 CA PRO A 28 169.116 215.681 299.219 1.00 0.00 C +ATOM 29 CA THR A 29 169.762 219.415 299.616 1.00 0.00 C +ATOM 30 CA SER A 30 172.304 220.563 297.020 1.00 0.00 C +ATOM 31 CA ALA A 31 174.260 222.324 294.266 1.00 0.00 C +ATOM 32 CA HIS A 32 172.950 223.198 290.797 1.00 0.00 C +ATOM 33 CA ALA A 33 171.131 226.534 290.515 1.00 0.00 C +ATOM 34 CA ALA A 34 169.822 227.180 286.995 1.00 0.00 C +ATOM 35 CA SER A 35 171.108 229.267 284.078 1.00 0.00 C +ATOM 36 CA LEU A 36 172.111 228.705 280.446 1.00 0.00 C +ATOM 37 CA ASP A 37 171.030 227.178 277.127 1.00 0.00 C +ATOM 38 CA ALA A 38 172.659 229.145 274.300 1.00 0.00 C +ATOM 39 CA LEU A 39 173.752 229.291 270.652 1.00 0.00 C +ATOM 40 CA PHE A 40 173.409 228.067 267.061 1.00 0.00 C +ATOM 41 CA ALA A 41 175.098 226.430 264.064 1.00 0.00 C +ATOM 42 CA LYS A 42 177.814 227.280 261.531 1.00 0.00 C +ATOM 43 CA PRO A 43 176.446 229.138 258.499 1.00 0.00 C +ATOM 44 CA ASP A 44 177.886 229.302 254.975 1.00 0.00 C +ATOM 45 CA GLN A 45 181.108 229.817 253.008 1.00 0.00 C +ATOM 46 CA ASN A 46 184.082 227.834 251.690 1.00 0.00 C +ATOM 47 CA ILE A 47 185.540 225.172 253.993 1.00 0.00 C +ATOM 48 CA ALA A 48 187.422 221.948 253.228 1.00 0.00 C +ATOM 49 CA ILE A 49 186.417 220.011 250.105 1.00 0.00 C +ATOM 50 CA PRO A 50 188.159 218.178 247.256 1.00 0.00 C +ATOM 51 CA PRO A 51 188.204 219.259 243.603 1.00 0.00 C +ATOM 52 CA PRO A 52 190.719 217.880 241.095 1.00 0.00 C +ATOM 53 CA SER A 53 192.001 220.791 238.998 1.00 0.00 C +ATOM 54 CA SER A 54 194.627 223.137 240.454 1.00 0.00 C +ATOM 55 CA SER A 55 198.134 224.423 239.703 1.00 0.00 C +ATOM 56 CA SER A 56 200.528 227.117 240.939 1.00 0.00 C +ATOM 57 CA GLN A 57 203.535 227.042 243.277 1.00 0.00 C +ATOM 58 CA ALA A 58 207.318 226.626 243.457 1.00 0.00 C +ATOM 59 CA LYS A 59 210.451 225.524 241.589 1.00 0.00 C +ATOM 60 CA ARG A 60 210.331 221.737 241.187 1.00 0.00 C +ATOM 61 CA PRO A 61 207.886 219.176 242.592 1.00 0.00 C +ATOM 62 CA ARG A 62 209.231 215.611 242.637 1.00 0.00 C +ATOM 63 CA HIS A 63 209.280 212.137 244.200 1.00 0.00 C +ATOM 64 CA LEU A 64 210.660 209.445 241.883 1.00 0.00 C +ATOM 65 CA PRO A 65 214.436 209.132 241.481 1.00 0.00 C +ATOM 66 CA PRO A 66 216.165 210.420 238.340 1.00 0.00 C +ATOM 67 CA GLU A 67 218.189 211.944 235.494 1.00 0.00 C +ATOM 68 CA ILE A 68 219.976 215.027 236.840 1.00 0.00 C +ATOM 69 CA VAL A 69 218.636 218.045 234.941 1.00 0.00 C +ATOM 70 CA THR A 70 214.982 219.030 235.385 1.00 0.00 C +ATOM 71 CA ASN A 71 211.404 217.886 236.022 1.00 0.00 C +ATOM 72 CA VAL A 72 210.049 215.244 233.635 1.00 0.00 C +ATOM 73 CA GLN A 73 208.984 211.625 234.169 1.00 0.00 C +ATOM 74 CA GLY A 74 206.074 209.485 232.956 1.00 0.00 C +ATOM 75 CA SER A 75 204.257 206.146 233.218 1.00 0.00 C +ATOM 76 CA SER A 76 206.929 203.496 233.811 1.00 0.00 C +ATOM 77 CA ALA A 77 208.893 200.374 232.853 1.00 0.00 C +ATOM 78 CA GLY A 78 212.171 199.348 234.501 1.00 0.00 C +ATOM 79 CA ALA A 79 214.250 202.199 235.939 1.00 0.00 C +ATOM 80 CA GLY A 80 216.675 202.505 238.862 1.00 0.00 C +ATOM 81 CA SER A 81 220.279 201.788 239.869 1.00 0.00 C +ATOM 82 CA GLY A 82 222.456 203.928 242.149 1.00 0.00 C +ATOM 83 CA GLU A 83 226.116 204.119 241.107 1.00 0.00 C +ATOM 84 CA PHE A 84 229.596 202.762 241.857 1.00 0.00 C +ATOM 85 CA HIS A 85 233.190 201.554 242.234 1.00 0.00 C +ATOM 86 CA VAL A 86 236.471 203.227 241.259 1.00 0.00 C +ATOM 87 CA TYR A 87 238.219 204.395 244.437 1.00 0.00 C +ATOM 88 CA LYS A 88 241.165 206.191 246.053 1.00 0.00 C +ATOM 89 CA ALA A 89 243.996 206.570 248.574 1.00 0.00 C +ATOM 90 CA SER A 90 242.732 207.781 251.958 1.00 0.00 C +ATOM 91 CA ARG A 91 242.918 209.236 255.474 1.00 0.00 C +ATOM 92 CA ARG A 92 246.199 210.278 257.107 1.00 0.00 C +ATOM 93 CA ARG A 93 249.331 212.178 256.059 1.00 0.00 C +ATOM 94 CA GLU A 94 251.919 214.962 255.806 1.00 0.00 C +ATOM 95 CA TYR A 95 252.507 217.611 253.131 1.00 0.00 C +ATOM 96 CA GLU A 96 249.879 218.375 250.480 1.00 0.00 C +ATOM 97 CA ARG A 97 249.309 222.087 249.840 1.00 0.00 C +ATOM 98 CA LEU A 98 250.724 224.256 247.045 1.00 0.00 C +ATOM 99 CA ARG A 99 253.777 226.489 247.507 1.00 0.00 C +ATOM 100 CA ARG A 100 255.136 230.033 247.832 1.00 0.00 C +ATOM 101 CA MET A 101 255.130 232.917 250.322 1.00 0.00 C +ATOM 102 CA ASP A 102 258.598 234.478 250.094 1.00 0.00 C +ATOM 103 CA GLU A 103 261.499 232.965 248.142 1.00 0.00 C +ATOM 104 CA ASP A 104 262.620 234.032 244.660 1.00 0.00 C +ATOM 105 CA LEU A 105 265.169 235.722 242.389 1.00 0.00 C +ATOM 106 CA LYS A 106 267.489 237.683 240.089 1.00 0.00 C +ATOM 107 CA GLN A 107 270.256 240.232 239.483 1.00 0.00 C +ATOM 108 CA GLU A 108 271.372 243.826 240.082 1.00 0.00 C +ATOM 109 CA LYS A 109 270.312 245.982 243.039 1.00 0.00 C +ATOM 110 CA GLU A 110 271.583 249.497 243.777 1.00 0.00 C +ATOM 111 CA GLN A 111 275.091 250.738 242.956 1.00 0.00 C +ATOM 112 CA GLU A 112 278.823 250.403 242.265 1.00 0.00 C +ATOM 113 CA GLN A 113 282.534 249.593 242.561 1.00 0.00 C +ATOM 114 CA PHE A 114 285.764 251.538 242.013 1.00 0.00 C +ATOM 115 CA GLU A 115 288.839 252.554 244.020 1.00 0.00 C +ATOM 116 CA LYS A 116 288.892 254.466 247.314 1.00 0.00 C +ATOM 117 CA ASP A 117 289.576 258.212 247.188 1.00 0.00 C +ATOM 118 CA LYS A 118 293.147 259.290 247.965 1.00 0.00 C +ATOM 119 CA ALA A 119 294.061 262.968 248.348 1.00 0.00 C +ATOM 120 CA ASP A 120 296.277 264.906 245.929 1.00 0.00 C +ATOM 121 CA LYS A 121 299.448 266.115 244.197 1.00 0.00 C +ATOM 122 CA LEU A 122 302.540 268.121 245.160 1.00 0.00 C +ATOM 123 CA ARG A 123 301.878 271.100 247.442 1.00 0.00 C +ATOM 124 CA ARG A 124 301.827 274.902 247.203 1.00 0.00 C +ATOM 125 CA ASP A 125 302.223 278.502 248.386 1.00 0.00 C +ATOM 126 CA GLU A 126 303.620 280.862 251.030 1.00 0.00 C +ATOM 127 CA GLU A 127 302.437 284.473 251.309 1.00 0.00 C +ATOM 128 CA ARG A 128 301.907 286.862 248.389 1.00 0.00 C +ATOM 129 CA THR A 129 302.259 290.613 247.819 1.00 0.00 C +ATOM 130 CA ARG A 130 301.317 293.622 249.957 1.00 0.00 C +ATOM 131 CA LYS A 131 302.036 296.807 251.920 1.00 0.00 C +ATOM 132 CA ASN A 132 301.719 299.792 249.573 1.00 0.00 C +ATOM 133 CA ARG A 133 303.304 303.095 248.527 1.00 0.00 C +ATOM 134 CA GLU A 134 307.114 303.116 248.578 1.00 0.00 C +ATOM 135 CA LYS A 135 309.575 305.998 248.973 1.00 0.00 C +ATOM 136 CA ARG A 136 313.112 305.960 250.388 1.00 0.00 C +ATOM 137 CA GLU A 137 315.397 308.237 252.416 1.00 0.00 C +ATOM 138 CA LYS A 138 319.019 309.419 252.390 1.00 0.00 C +ATOM 139 CA MET A 139 322.829 309.433 252.425 1.00 0.00 C +ATOM 140 CA LYS A 140 326.057 307.914 253.763 1.00 0.00 C +ATOM 141 CA ALA A 141 328.614 306.370 251.399 1.00 0.00 C +ATOM 142 CA ARG A 142 330.635 309.307 250.055 1.00 0.00 C +ATOM 143 CA LYS A 143 332.263 311.362 252.819 1.00 0.00 C +ATOM 144 CA ALA A 144 329.721 313.903 254.086 1.00 0.00 C +ATOM 145 CA LYS A 145 327.721 317.120 254.489 1.00 0.00 C +ATOM 146 CA GLU A 146 324.685 317.690 252.259 1.00 0.00 C +ATOM 147 CA ARG A 147 321.096 318.967 252.336 1.00 0.00 C +ATOM 148 CA GLY A 148 318.045 318.607 250.082 1.00 0.00 C +ATOM 149 CA ASP A 149 314.817 316.922 248.964 1.00 0.00 C +ATOM 150 CA ALA A 150 313.881 315.089 245.758 1.00 0.00 C +ATOM 151 CA ASN A 151 316.243 314.397 242.849 1.00 0.00 C +ATOM 152 CA ALA A 152 319.195 316.800 242.701 1.00 0.00 C +ATOM 153 CA ASN A 153 318.488 319.223 239.847 1.00 0.00 C +ATOM 154 CA LEU A 154 318.294 318.554 236.101 1.00 0.00 C +ATOM 155 CA ASN A 155 315.470 317.780 233.664 1.00 0.00 C +ATOM 156 CA ALA A 156 312.696 315.274 232.928 1.00 0.00 C +ATOM 157 CA ASN A 157 312.820 312.466 230.356 1.00 0.00 C +ATOM 158 CA GLU A 158 316.398 311.192 230.061 1.00 0.00 C +ATOM 159 CA HIS A 159 317.088 307.626 228.911 1.00 0.00 C +ATOM 160 CA HIS A 160 318.839 305.001 231.047 1.00 0.00 C +ATOM 161 CA GLN A 161 316.742 303.316 233.745 1.00 0.00 C +ATOM 162 CA ARG A 162 319.072 300.901 235.549 1.00 0.00 C +ATOM 163 CA ALA A 163 320.595 297.563 234.522 1.00 0.00 C +ATOM 164 CA LEU A 164 321.540 293.876 234.367 1.00 0.00 C +ATOM 165 CA ALA A 165 321.194 290.233 235.429 1.00 0.00 C +ATOM 166 CA VAL A 166 318.479 289.240 237.911 1.00 0.00 C +ATOM 167 CA LYS A 167 318.833 291.319 241.083 1.00 0.00 C +ATOM 168 CA ASN A 168 316.126 293.857 241.948 1.00 0.00 C +ATOM 169 CA GLY A 169 312.368 294.119 241.378 1.00 0.00 C +ATOM 170 CA HIS A 170 309.651 291.498 241.896 1.00 0.00 C +ATOM 171 CA GLY A 171 310.726 288.784 244.345 1.00 0.00 C +ATOM 172 CA GLU A 172 312.630 285.485 244.413 1.00 0.00 C +ATOM 173 CA GLN A 173 310.211 282.678 243.527 1.00 0.00 C +ATOM 174 CA SER A 174 306.445 282.720 242.947 1.00 0.00 C +ATOM 175 CA THR A 175 302.922 281.549 242.092 1.00 0.00 C +ATOM 176 CA SER A 176 300.121 279.057 241.413 1.00 0.00 C +ATOM 177 CA GLY A 177 296.570 280.402 241.723 1.00 0.00 C +ATOM 178 CA ALA A 178 294.783 283.405 240.202 1.00 0.00 C +ATOM 179 CA ASP A 179 290.993 283.041 240.078 1.00 0.00 C +ATOM 180 CA ASP A 180 289.307 280.714 237.576 1.00 0.00 C +ATOM 181 CA GLY A 181 285.706 279.717 238.323 1.00 0.00 C +ATOM 182 CA ARG A 182 284.298 276.230 238.934 1.00 0.00 C +ATOM 183 CA ALA A 183 284.586 273.878 235.951 1.00 0.00 C +ATOM 184 CA SER A 184 286.736 270.827 235.182 1.00 0.00 C +ATOM 185 CA GLU A 185 285.649 268.911 232.074 1.00 0.00 C +ATOM 186 CA ASP A 186 284.308 271.599 229.731 1.00 0.00 C +ATOM 187 CA ASP A 187 280.601 271.586 228.851 1.00 0.00 C +ATOM 188 CA ALA A 188 276.892 271.675 227.988 1.00 0.00 C +ATOM 189 CA ALA A 189 275.553 274.792 229.722 1.00 0.00 C +ATOM 190 CA GLU A 190 278.284 277.059 231.108 1.00 0.00 C +ATOM 191 CA GLN A 191 281.549 277.877 229.322 1.00 0.00 C +ATOM 192 CA VAL A 192 284.966 279.324 228.458 1.00 0.00 C +ATOM 193 CA SER A 193 287.248 280.211 231.378 1.00 0.00 C +ATOM 194 CA LEU A 194 286.024 283.605 232.602 1.00 0.00 C +ATOM 195 CA ALA A 195 282.596 283.567 234.263 1.00 0.00 C +ATOM 196 CA ALA A 196 281.458 287.066 235.253 1.00 0.00 C +ATOM 197 CA PRO A 197 282.761 290.202 236.980 1.00 0.00 C +ATOM 198 CA ALA A 198 284.147 292.641 239.558 1.00 0.00 C +ATOM 199 CA VAL A 199 284.790 291.520 243.142 1.00 0.00 C +ATOM 200 CA GLY A 200 288.274 290.304 244.089 1.00 0.00 C +ATOM 201 CA LEU A 201 289.619 289.330 247.518 1.00 0.00 C +ATOM 202 CA VAL A 202 291.545 288.587 250.720 1.00 0.00 C +ATOM 203 CA ILE A 203 291.188 286.271 253.725 1.00 0.00 C +ATOM 204 CA HIS A 204 288.584 287.555 256.193 1.00 0.00 C +ATOM 205 CA ASP A 205 286.477 284.883 257.906 1.00 0.00 C +ATOM 206 CA ASP A 206 283.682 283.602 260.156 1.00 0.00 C +ATOM 207 CA ASP A 207 282.735 280.170 261.512 1.00 0.00 C +ATOM 208 CA ALA A 208 280.446 277.348 262.659 1.00 0.00 C +TER 209 ALA A 208 +END diff --git a/Fungi/A0A7U2ICR5/A0A7U2ICR5.dcd b/Fungi/A0A7U2ICR5/A0A7U2ICR5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..803596d4d0151bcab935f185708e3ff0f7e7fb17 --- /dev/null +++ b/Fungi/A0A7U2ICR5/A0A7U2ICR5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:996296c388649df1e94c0a0a9b449133d13a835a620bd7722f8f86067f2bbf57 +size 23960276 diff --git a/Fungi/A0A7U2ICR5/top.pdb b/Fungi/A0A7U2ICR5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9ca51bce241c59432a2f355286531667f8f0cbf3 --- /dev/null +++ b/Fungi/A0A7U2ICR5/top.pdb @@ -0,0 +1,197 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 158.306 255.246 279.590 1.00 0.00 C +ATOM 2 CA SER A 2 161.932 256.183 280.289 1.00 0.00 C +ATOM 3 CA ASN A 3 164.791 254.743 278.223 1.00 0.00 C +ATOM 4 CA ASN A 4 168.580 255.141 278.225 1.00 0.00 C +ATOM 5 CA ASN A 5 171.728 256.802 279.584 1.00 0.00 C +ATOM 6 CA ASN A 6 172.288 260.566 279.765 1.00 0.00 C +ATOM 7 CA PRO A 7 169.677 262.401 277.684 1.00 0.00 C +ATOM 8 CA TRP A 8 166.856 263.188 275.246 1.00 0.00 C +ATOM 9 CA ALA A 9 165.789 264.239 271.743 1.00 0.00 C +ATOM 10 CA GLN A 10 166.209 264.350 267.958 1.00 0.00 C +ATOM 11 CA TRP A 11 167.989 265.936 264.986 1.00 0.00 C +ATOM 12 CA PRO A 12 170.943 268.041 266.153 1.00 0.00 C +ATOM 13 CA ARG A 13 173.708 270.495 265.233 1.00 0.00 C +ATOM 14 CA PHE A 14 174.919 272.672 268.116 1.00 0.00 C +ATOM 15 CA PRO A 15 178.230 271.384 269.492 1.00 0.00 C +ATOM 16 CA LYS A 16 181.438 273.428 269.714 1.00 0.00 C +ATOM 17 CA LYS A 17 184.051 273.066 266.965 1.00 0.00 C +ATOM 18 CA PRO A 18 187.082 271.279 265.503 1.00 0.00 C +ATOM 19 CA LYS A 19 190.186 269.071 265.485 1.00 0.00 C +ATOM 20 CA HIS A 20 193.196 268.803 267.807 1.00 0.00 C +ATOM 21 CA LEU A 21 196.750 268.923 269.172 1.00 0.00 C +ATOM 22 CA SER A 22 198.666 265.873 267.931 1.00 0.00 C +ATOM 23 CA SER A 23 202.398 265.608 267.210 1.00 0.00 C +ATOM 24 CA SER A 24 205.740 263.943 267.966 1.00 0.00 C +ATOM 25 CA ASN A 25 207.912 261.664 265.819 1.00 0.00 C +ATOM 26 CA ALA A 26 209.488 262.927 262.588 1.00 0.00 C +ATOM 27 CA THR A 27 209.164 264.032 258.957 1.00 0.00 C +ATOM 28 CA PRO A 28 206.954 263.056 256.010 1.00 0.00 C +ATOM 29 CA LEU A 29 206.943 262.320 252.272 1.00 0.00 C +ATOM 30 CA GLY A 30 210.371 263.337 250.958 1.00 0.00 C +ATOM 31 CA ARG A 31 213.349 261.456 252.412 1.00 0.00 C +ATOM 32 CA PRO A 32 214.931 258.688 250.327 1.00 0.00 C +ATOM 33 CA ARG A 33 218.540 257.937 249.364 1.00 0.00 C +ATOM 34 CA HIS A 34 222.326 257.521 249.453 1.00 0.00 C +ATOM 35 CA HIS A 35 226.083 258.113 249.216 1.00 0.00 C +ATOM 36 CA MET A 36 227.766 255.102 250.833 1.00 0.00 C +ATOM 37 CA GLU A 37 231.019 254.414 248.972 1.00 0.00 C +ATOM 38 CA SER A 38 230.904 255.697 245.386 1.00 0.00 C +ATOM 39 CA ALA A 39 232.084 253.441 242.552 1.00 0.00 C +ATOM 40 CA HIS A 40 232.808 255.288 239.299 1.00 0.00 C +ATOM 41 CA GLU A 41 231.621 258.656 237.971 1.00 0.00 C +ATOM 42 CA MET A 42 233.203 260.004 234.778 1.00 0.00 C +ATOM 43 CA GLN A 43 236.337 261.712 233.446 1.00 0.00 C +ATOM 44 CA ARG A 44 238.076 265.081 233.825 1.00 0.00 C +ATOM 45 CA THR A 45 239.301 267.469 231.121 1.00 0.00 C +ATOM 46 CA SER A 46 241.213 265.868 228.241 1.00 0.00 C +ATOM 47 CA HIS A 47 238.564 264.398 225.930 1.00 0.00 C +ATOM 48 CA SER A 48 237.868 265.767 222.443 1.00 0.00 C +ATOM 49 CA GLY A 49 237.875 267.463 219.031 1.00 0.00 C +ATOM 50 CA VAL A 50 239.700 268.723 215.933 1.00 0.00 C +ATOM 51 CA LEU A 51 241.865 268.893 212.802 1.00 0.00 C +ATOM 52 CA GLN A 52 244.556 266.492 211.575 1.00 0.00 C +ATOM 53 CA GLY A 53 247.596 264.282 212.200 1.00 0.00 C +ATOM 54 CA THR A 54 251.258 265.334 212.206 1.00 0.00 C +ATOM 55 CA PRO A 55 255.056 265.624 212.106 1.00 0.00 C +ATOM 56 CA GLU A 56 257.647 262.935 211.352 1.00 0.00 C +ATOM 57 CA ASP A 57 258.351 259.277 212.150 1.00 0.00 C +ATOM 58 CA ASP A 58 261.528 257.180 211.974 1.00 0.00 C +ATOM 59 CA GLY A 59 264.733 259.199 212.387 1.00 0.00 C +ATOM 60 CA ARG A 60 265.054 262.977 212.017 1.00 0.00 C +ATOM 61 CA GLN A 61 263.394 265.022 209.263 1.00 0.00 C +ATOM 62 CA THR A 62 261.510 266.228 206.179 1.00 0.00 C +ATOM 63 CA ASN A 63 258.681 266.720 203.675 1.00 0.00 C +ATOM 64 CA VAL A 64 255.393 267.868 202.129 1.00 0.00 C +ATOM 65 CA ALA A 65 251.964 266.462 201.245 1.00 0.00 C +ATOM 66 CA THR A 66 251.937 262.713 201.922 1.00 0.00 C +ATOM 67 CA ALA A 67 250.520 261.424 205.216 1.00 0.00 C +ATOM 68 CA SER A 68 251.353 259.083 208.104 1.00 0.00 C +ATOM 69 CA HIS A 69 248.038 258.567 209.909 1.00 0.00 C +ATOM 70 CA ASN A 70 247.362 254.834 210.265 1.00 0.00 C +ATOM 71 CA GLN A 71 245.655 254.236 213.619 1.00 0.00 C +ATOM 72 CA ALA A 72 244.685 256.894 216.171 1.00 0.00 C +ATOM 73 CA ARG A 73 245.742 257.383 219.798 1.00 0.00 C +ATOM 74 CA THR A 74 244.361 256.319 223.187 1.00 0.00 C +ATOM 75 CA PRO A 75 244.064 255.148 226.800 1.00 0.00 C +ATOM 76 CA ARG A 76 241.271 252.670 227.559 1.00 0.00 C +ATOM 77 CA THR A 77 239.093 249.545 227.609 1.00 0.00 C +ATOM 78 CA GLN A 78 239.714 245.982 228.806 1.00 0.00 C +ATOM 79 CA ALA A 79 241.261 243.663 231.403 1.00 0.00 C +ATOM 80 CA SER A 80 244.315 243.281 233.649 1.00 0.00 C +ATOM 81 CA SER A 81 247.267 242.598 235.959 1.00 0.00 C +ATOM 82 CA HIS A 82 250.926 241.555 236.170 1.00 0.00 C +ATOM 83 CA HIS A 83 252.873 244.765 236.817 1.00 0.00 C +ATOM 84 CA THR A 84 254.124 245.735 240.283 1.00 0.00 C +ATOM 85 CA THR A 85 257.501 247.491 240.103 1.00 0.00 C +ATOM 86 CA ALA A 86 260.434 247.798 242.515 1.00 0.00 C +ATOM 87 CA GLU A 87 260.572 244.825 244.894 1.00 0.00 C +ATOM 88 CA GLU A 88 262.920 244.356 247.857 1.00 0.00 C +ATOM 89 CA ASP A 89 264.189 247.454 249.676 1.00 0.00 C +ATOM 90 CA GLN A 90 261.804 249.782 251.522 1.00 0.00 C +ATOM 91 CA SER A 91 263.046 252.809 253.475 1.00 0.00 C +ATOM 92 CA ASP A 92 265.084 255.233 251.356 1.00 0.00 C +ATOM 93 CA ALA A 93 267.604 253.024 249.544 1.00 0.00 C +ATOM 94 CA LYS A 94 269.948 250.950 251.717 1.00 0.00 C +ATOM 95 CA ASP A 95 272.880 252.886 253.189 1.00 0.00 C +ATOM 96 CA ALA A 96 276.583 253.784 253.134 1.00 0.00 C +ATOM 97 CA GLY A 97 279.820 255.671 252.445 1.00 0.00 C +ATOM 98 CA VAL A 98 281.084 259.035 253.712 1.00 0.00 C +ATOM 99 CA SER A 99 279.292 259.701 257.007 1.00 0.00 C +ATOM 100 CA ARG A 100 281.156 261.045 260.046 1.00 0.00 C +ATOM 101 CA THR A 101 282.887 264.359 260.782 1.00 0.00 C +ATOM 102 CA GLY A 102 281.099 267.146 258.896 1.00 0.00 C +ATOM 103 CA SER A 103 277.342 267.109 258.268 1.00 0.00 C +ATOM 104 CA PRO A 104 275.660 269.966 260.145 1.00 0.00 C +ATOM 105 CA PRO A 105 275.695 269.910 263.955 1.00 0.00 C +ATOM 106 CA PRO A 106 274.159 267.811 266.738 1.00 0.00 C +ATOM 107 CA SER A 107 271.821 264.931 265.865 1.00 0.00 C +ATOM 108 CA PRO A 108 269.567 263.867 268.746 1.00 0.00 C +ATOM 109 CA THR A 109 270.873 261.361 271.301 1.00 0.00 C +ATOM 110 CA GLN A 110 274.220 262.136 272.947 1.00 0.00 C +ATOM 111 CA GLN A 111 277.221 264.141 271.724 1.00 0.00 C +ATOM 112 CA VAL A 112 280.477 263.606 273.629 1.00 0.00 C +ATOM 113 CA LEU A 113 281.627 260.274 275.075 1.00 0.00 C +ATOM 114 CA SER A 114 281.143 256.730 276.388 1.00 0.00 C +ATOM 115 CA SER A 115 280.328 254.888 279.622 1.00 0.00 C +ATOM 116 CA PRO A 116 277.629 252.253 279.082 1.00 0.00 C +ATOM 117 CA TYR A 117 276.515 248.694 278.302 1.00 0.00 C +ATOM 118 CA VAL A 118 277.241 244.965 278.009 1.00 0.00 C +ATOM 119 CA LEU A 119 277.670 241.227 277.410 1.00 0.00 C +ATOM 120 CA SER A 120 278.716 238.678 274.778 1.00 0.00 C +ATOM 121 CA PRO A 121 277.316 239.940 271.468 1.00 0.00 C +ATOM 122 CA ALA A 122 280.055 240.190 268.831 1.00 0.00 C +ATOM 123 CA PRO A 123 281.755 243.599 268.893 1.00 0.00 C +ATOM 124 CA SER A 124 282.467 244.987 265.417 1.00 0.00 C +ATOM 125 CA PRO A 125 284.071 242.393 263.134 1.00 0.00 C +ATOM 126 CA THR A 126 285.880 243.173 259.873 1.00 0.00 C +ATOM 127 CA PRO A 127 284.035 245.655 257.648 1.00 0.00 C +ATOM 128 CA SER A 128 280.535 246.385 256.331 1.00 0.00 C +ATOM 129 CA GLU A 129 278.408 243.554 257.736 1.00 0.00 C +ATOM 130 CA ARG A 130 278.405 240.068 256.198 1.00 0.00 C +ATOM 131 CA TYR A 131 278.650 237.880 253.089 1.00 0.00 C +ATOM 132 CA ARG A 132 278.312 234.093 253.324 1.00 0.00 C +ATOM 133 CA ALA A 133 275.514 231.511 253.463 1.00 0.00 C +ATOM 134 CA HIS A 134 272.740 231.317 250.858 1.00 0.00 C +ATOM 135 CA ARG A 135 272.792 232.595 247.269 1.00 0.00 C +ATOM 136 CA ALA A 136 273.807 236.255 247.566 1.00 0.00 C +ATOM 137 CA GLN A 137 276.522 238.763 246.640 1.00 0.00 C +ATOM 138 CA GLU A 138 274.709 241.933 245.552 1.00 0.00 C +ATOM 139 CA LEU A 139 275.698 244.825 247.827 1.00 0.00 C +ATOM 140 CA GLU A 140 274.896 247.794 250.076 1.00 0.00 C +ATOM 141 CA LYS A 141 274.210 246.849 253.702 1.00 0.00 C +ATOM 142 CA LYS A 142 271.197 244.598 254.311 1.00 0.00 C +ATOM 143 CA GLU A 143 270.315 241.174 255.731 1.00 0.00 C +ATOM 144 CA ARG A 144 270.840 238.205 253.402 1.00 0.00 C +ATOM 145 CA ARG A 145 268.477 235.331 252.582 1.00 0.00 C +ATOM 146 CA LEU A 146 264.720 234.857 253.000 1.00 0.00 C +ATOM 147 CA ARG A 147 262.150 233.536 255.484 1.00 0.00 C +ATOM 148 CA LEU A 148 263.186 231.508 258.538 1.00 0.00 C +ATOM 149 CA GLU A 149 262.908 230.485 262.197 1.00 0.00 C +ATOM 150 CA ARG A 150 261.113 227.690 264.064 1.00 0.00 C +ATOM 151 CA VAL A 151 262.393 227.809 267.650 1.00 0.00 C +ATOM 152 CA GLU A 152 264.479 227.287 270.795 1.00 0.00 C +ATOM 153 CA ARG A 153 267.144 229.807 271.827 1.00 0.00 C +ATOM 154 CA ARG A 154 270.322 228.755 273.647 1.00 0.00 C +ATOM 155 CA LYS A 155 273.386 228.818 271.384 1.00 0.00 C +ATOM 156 CA GLY A 156 275.403 231.014 269.011 1.00 0.00 C +ATOM 157 CA LEU A 157 275.332 233.155 265.861 1.00 0.00 C +ATOM 158 CA ARG A 158 273.891 236.678 266.034 1.00 0.00 C +ATOM 159 CA LEU A 159 270.082 236.702 265.930 1.00 0.00 C +ATOM 160 CA GLU A 160 267.744 239.206 264.263 1.00 0.00 C +ATOM 161 CA ARG A 161 266.052 237.459 261.330 1.00 0.00 C +ATOM 162 CA VAL A 162 262.244 237.583 261.379 1.00 0.00 C +ATOM 163 CA ARG A 163 260.406 240.764 260.369 1.00 0.00 C +ATOM 164 CA ARG A 164 258.155 242.864 262.614 1.00 0.00 C +ATOM 165 CA GLN A 165 257.701 246.636 262.338 1.00 0.00 C +ATOM 166 CA LYS A 166 256.498 248.117 259.040 1.00 0.00 C +ATOM 167 CA SER A 167 253.048 249.554 258.300 1.00 0.00 C +ATOM 168 CA GLY A 168 251.792 248.740 254.796 1.00 0.00 C +ATOM 169 CA ARG A 169 251.956 245.207 253.380 1.00 0.00 C +ATOM 170 CA LYS A 170 253.631 242.461 251.338 1.00 0.00 C +ATOM 171 CA GLY A 171 254.337 238.797 250.566 1.00 0.00 C +ATOM 172 CA ASN A 172 257.799 237.315 249.986 1.00 0.00 C +ATOM 173 CA VAL A 173 258.405 233.588 249.477 1.00 0.00 C +ATOM 174 CA LYS A 174 260.915 232.930 246.688 1.00 0.00 C +ATOM 175 CA ILE A 175 264.507 232.055 247.609 1.00 0.00 C +ATOM 176 CA ARG A 176 266.353 228.786 246.958 1.00 0.00 C +ATOM 177 CA SER A 177 265.510 225.520 245.187 1.00 0.00 C +ATOM 178 CA SER A 178 266.231 225.214 241.458 1.00 0.00 C +ATOM 179 CA ARG A 179 268.251 222.096 240.614 1.00 0.00 C +ATOM 180 CA ARG A 180 271.310 221.286 238.492 1.00 0.00 C +ATOM 181 CA THR A 181 272.140 218.522 236.004 1.00 0.00 C +ATOM 182 CA GLY A 182 271.819 214.946 237.277 1.00 0.00 C +ATOM 183 CA ILE A 183 270.109 213.545 240.381 1.00 0.00 C +ATOM 184 CA GLY A 184 269.906 214.542 244.052 1.00 0.00 C +ATOM 185 CA LEU A 185 271.906 217.380 245.620 1.00 0.00 C +ATOM 186 CA GLY A 186 273.153 220.976 245.450 1.00 0.00 C +ATOM 187 CA GLY A 187 275.000 223.407 247.729 1.00 0.00 C +ATOM 188 CA GLY A 188 278.104 225.564 247.250 1.00 0.00 C +ATOM 189 CA GLU A 189 280.529 227.474 249.482 1.00 0.00 C +ATOM 190 CA GLY A 190 281.389 227.616 253.192 1.00 0.00 C +ATOM 191 CA ARG A 191 283.276 228.897 256.243 1.00 0.00 C +ATOM 192 CA ARG A 192 282.550 232.157 258.077 1.00 0.00 C +ATOM 193 CA ILE A 193 284.346 235.329 259.184 1.00 0.00 C +TER 194 ILE A 193 +END diff --git a/Fungi/A0A7U3Q1X9/A0A7U3Q1X9.dcd b/Fungi/A0A7U3Q1X9/A0A7U3Q1X9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f19f304d665d73cd86a00b0a3df3a1ac0b558888 --- /dev/null +++ b/Fungi/A0A7U3Q1X9/A0A7U3Q1X9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:548154adf0f52022a9035669a18f313af01af87a7f97d710012ab63ec1fd44e5 +size 10400276 diff --git a/Fungi/A0A7U3Q1X9/top.pdb b/Fungi/A0A7U3Q1X9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..80a161ea7fb18d209fe1f354a62cbc564448145b --- /dev/null +++ b/Fungi/A0A7U3Q1X9/top.pdb @@ -0,0 +1,84 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 274.399 262.701 264.234 1.00 0.00 C +ATOM 2 CA PRO A 2 274.176 258.897 264.223 1.00 0.00 C +ATOM 3 CA GLY A 3 272.935 255.744 265.965 1.00 0.00 C +ATOM 4 CA SER A 4 269.347 254.487 265.720 1.00 0.00 C +ATOM 5 CA ASN A 5 266.432 254.020 268.129 1.00 0.00 C +ATOM 6 CA VAL A 6 263.466 254.677 270.428 1.00 0.00 C +ATOM 7 CA GLN A 7 259.835 253.959 271.331 1.00 0.00 C +ATOM 8 CA ALA A 8 257.470 255.538 273.867 1.00 0.00 C +ATOM 9 CA ASN A 9 254.071 253.838 273.599 1.00 0.00 C +ATOM 10 CA GLY A 10 250.359 253.562 272.787 1.00 0.00 C +ATOM 11 CA THR A 11 248.710 253.616 269.352 1.00 0.00 C +ATOM 12 CA GLY A 12 247.924 250.938 266.759 1.00 0.00 C +ATOM 13 CA GLN A 13 249.889 249.193 264.000 1.00 0.00 C +ATOM 14 CA ALA A 14 251.862 248.362 260.848 1.00 0.00 C +ATOM 15 CA VAL A 15 254.903 247.081 258.943 1.00 0.00 C +ATOM 16 CA VAL A 16 255.282 245.983 255.315 1.00 0.00 C +ATOM 17 CA ASN A 17 258.863 244.717 255.019 1.00 0.00 C +ATOM 18 CA GLY A 18 262.041 242.872 256.023 1.00 0.00 C +ATOM 19 CA ASN A 19 262.047 240.012 258.541 1.00 0.00 C +ATOM 20 CA GLU A 20 265.316 239.144 260.293 1.00 0.00 C +ATOM 21 CA LYS A 21 267.316 237.150 262.851 1.00 0.00 C +ATOM 22 CA LYS A 22 267.119 237.949 266.571 1.00 0.00 C +ATOM 23 CA SER A 23 266.693 241.554 267.730 1.00 0.00 C +ATOM 24 CA PRO A 24 267.330 244.273 265.138 1.00 0.00 C +ATOM 25 CA ALA A 25 265.919 247.269 263.254 1.00 0.00 C +ATOM 26 CA THR A 26 262.502 248.863 262.706 1.00 0.00 C +ATOM 27 CA GLU A 27 262.218 252.571 263.535 1.00 0.00 C +ATOM 28 CA SER A 28 260.222 254.363 260.829 1.00 0.00 C +ATOM 29 CA PHE A 29 260.519 256.349 257.591 1.00 0.00 C +ATOM 30 CA ALA A 30 261.988 259.820 258.152 1.00 0.00 C +ATOM 31 CA ILE A 31 264.827 261.396 256.159 1.00 0.00 C +ATOM 32 CA GLU A 32 265.230 264.191 253.602 1.00 0.00 C +ATOM 33 CA ARG A 33 265.407 263.544 249.851 1.00 0.00 C +ATOM 34 CA PHE A 34 265.576 260.030 248.388 1.00 0.00 C +ATOM 35 CA ARG A 35 262.164 258.427 248.943 1.00 0.00 C +ATOM 36 CA ARG A 36 258.563 257.192 249.077 1.00 0.00 C +ATOM 37 CA ASP A 37 257.905 253.468 248.611 1.00 0.00 C +ATOM 38 CA ASP A 38 259.473 250.871 246.307 1.00 0.00 C +ATOM 39 CA GLY A 39 258.485 247.439 244.978 1.00 0.00 C +ATOM 40 CA PRO A 40 255.438 245.248 244.325 1.00 0.00 C +ATOM 41 CA TRP A 41 253.070 246.894 241.835 1.00 0.00 C +ATOM 42 CA HIS A 42 249.459 245.705 241.586 1.00 0.00 C +ATOM 43 CA GLN A 43 246.460 247.747 240.425 1.00 0.00 C +ATOM 44 CA PRO A 44 243.884 247.407 237.638 1.00 0.00 C +ATOM 45 CA PHE A 45 241.618 244.510 238.630 1.00 0.00 C +ATOM 46 CA ASP A 46 240.440 241.855 236.164 1.00 0.00 C +ATOM 47 CA THR A 47 238.674 242.374 232.828 1.00 0.00 C +ATOM 48 CA LEU A 48 239.866 245.503 231.011 1.00 0.00 C +ATOM 49 CA SER A 49 241.264 246.078 227.514 1.00 0.00 C +ATOM 50 CA SER A 50 242.255 248.007 224.381 1.00 0.00 C +ATOM 51 CA VAL A 51 240.574 251.426 224.415 1.00 0.00 C +ATOM 52 CA ARG A 52 238.195 254.183 225.533 1.00 0.00 C +ATOM 53 CA GLY A 53 235.786 254.965 228.380 1.00 0.00 C +ATOM 54 CA GLY A 54 234.837 256.872 231.539 1.00 0.00 C +ATOM 55 CA GLN A 55 233.747 260.518 231.727 1.00 0.00 C +ATOM 56 CA GLY A 56 234.471 263.935 230.207 1.00 0.00 C +ATOM 57 CA SER A 57 232.173 266.568 231.725 1.00 0.00 C +ATOM 58 CA PRO A 58 228.690 267.429 233.005 1.00 0.00 C +ATOM 59 CA THR A 59 226.465 264.369 233.459 1.00 0.00 C +ATOM 60 CA ARG A 60 226.579 260.563 233.583 1.00 0.00 C +ATOM 61 CA ARG A 61 229.310 259.501 236.019 1.00 0.00 C +ATOM 62 CA ASN A 62 228.997 257.177 239.022 1.00 0.00 C +ATOM 63 CA ASN A 63 230.621 253.731 238.959 1.00 0.00 C +ATOM 64 CA GLY A 64 229.349 250.359 240.195 1.00 0.00 C +ATOM 65 CA ALA A 65 227.236 248.463 242.736 1.00 0.00 C +ATOM 66 CA GLY A 66 228.743 245.638 244.800 1.00 0.00 C +ATOM 67 CA PRO A 67 231.213 244.313 247.380 1.00 0.00 C +ATOM 68 CA PRO A 68 233.681 241.945 249.059 1.00 0.00 C +ATOM 69 CA SER A 69 237.181 243.401 248.680 1.00 0.00 C +ATOM 70 CA SER A 70 239.741 245.448 250.622 1.00 0.00 C +ATOM 71 CA VAL A 71 242.286 243.239 252.399 1.00 0.00 C +ATOM 72 CA HIS A 72 240.847 239.736 252.819 1.00 0.00 C +ATOM 73 CA GLN A 73 242.481 236.522 251.589 1.00 0.00 C +ATOM 74 CA GLY A 74 242.985 232.842 250.741 1.00 0.00 C +ATOM 75 CA SER A 75 245.927 232.468 248.349 1.00 0.00 C +ATOM 76 CA GLN A 76 248.795 234.975 248.413 1.00 0.00 C +ATOM 77 CA ALA A 77 250.447 238.160 247.132 1.00 0.00 C +ATOM 78 CA PRO A 78 248.644 241.409 246.290 1.00 0.00 C +ATOM 79 CA LYS A 79 250.077 244.494 248.007 1.00 0.00 C +ATOM 80 CA PRO A 80 248.713 247.965 247.232 1.00 0.00 C +TER 81 PRO A 80 +END diff --git a/Fungi/A0A8A1M2G2/A0A8A1M2G2.dcd b/Fungi/A0A8A1M2G2/A0A8A1M2G2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..398b17f74c4a128e1805b6e3a7a238639a2ff673 --- /dev/null +++ b/Fungi/A0A8A1M2G2/A0A8A1M2G2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cfd0a9c72ce113cf445012ff4a12d763d172269ef466db5c9eaded3345298f6b +size 7880276 diff --git a/Fungi/A0A8A1M2G2/top.pdb b/Fungi/A0A8A1M2G2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..bb314a4c070eac016f7fad4abca8ade3ecdad936 --- /dev/null +++ b/Fungi/A0A8A1M2G2/top.pdb @@ -0,0 +1,63 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 246.659 266.760 255.727 1.00 0.00 C +ATOM 2 CA TRP A 2 243.955 264.951 257.709 1.00 0.00 C +ATOM 3 CA GLN A 3 241.755 262.052 256.580 1.00 0.00 C +ATOM 4 CA SER A 4 242.376 258.293 256.588 1.00 0.00 C +ATOM 5 CA SER A 5 241.796 255.399 258.997 1.00 0.00 C +ATOM 6 CA GLU A 6 240.414 252.259 260.654 1.00 0.00 C +ATOM 7 CA GLU A 7 240.217 249.856 263.604 1.00 0.00 C +ATOM 8 CA ASN A 8 239.888 246.068 263.841 1.00 0.00 C +ATOM 9 CA LYS A 9 241.952 243.455 261.990 1.00 0.00 C +ATOM 10 CA THR A 10 242.975 245.041 258.680 1.00 0.00 C +ATOM 11 CA GLU A 11 245.523 243.541 256.278 1.00 0.00 C +ATOM 12 CA GLU A 12 248.323 241.606 254.566 1.00 0.00 C +ATOM 13 CA LYS A 13 248.312 242.770 250.938 1.00 0.00 C +ATOM 14 CA THR A 14 249.196 244.860 247.878 1.00 0.00 C +ATOM 15 CA SER A 15 246.509 245.564 245.270 1.00 0.00 C +ATOM 16 CA ARG A 16 243.073 245.397 246.907 1.00 0.00 C +ATOM 17 CA GLU A 17 242.726 247.768 249.869 1.00 0.00 C +ATOM 18 CA GLN A 18 240.618 250.776 250.881 1.00 0.00 C +ATOM 19 CA LEU A 19 240.276 254.181 252.557 1.00 0.00 C +ATOM 20 CA ALA A 20 240.265 257.430 250.567 1.00 0.00 C +ATOM 21 CA ALA A 21 241.299 258.893 247.205 1.00 0.00 C +ATOM 22 CA LYS A 22 244.204 261.332 247.567 1.00 0.00 C +ATOM 23 CA GLU A 23 245.819 263.835 249.942 1.00 0.00 C +ATOM 24 CA ARG A 24 247.952 266.513 248.269 1.00 0.00 C +ATOM 25 CA ARG A 25 246.867 268.652 245.309 1.00 0.00 C +ATOM 26 CA ARG A 26 245.880 267.200 241.928 1.00 0.00 C +ATOM 27 CA LEU A 27 244.972 263.759 240.569 1.00 0.00 C +ATOM 28 CA GLN A 28 244.538 260.232 239.194 1.00 0.00 C +ATOM 29 CA ASN A 29 246.543 258.479 236.471 1.00 0.00 C +ATOM 30 CA ARG A 30 247.907 256.008 233.911 1.00 0.00 C +ATOM 31 CA ILE A 31 251.664 256.634 233.792 1.00 0.00 C +ATOM 32 CA ALA A 32 253.804 259.225 235.585 1.00 0.00 C +ATOM 33 CA GLN A 33 253.515 259.607 239.365 1.00 0.00 C +ATOM 34 CA ARG A 34 251.347 259.644 242.498 1.00 0.00 C +ATOM 35 CA ASN A 35 251.009 258.199 246.007 1.00 0.00 C +ATOM 36 CA HIS A 36 252.970 257.260 249.136 1.00 0.00 C +ATOM 37 CA ARG A 37 253.312 253.660 250.333 1.00 0.00 C +ATOM 38 CA THR A 38 249.772 252.256 250.200 1.00 0.00 C +ATOM 39 CA LEU A 39 247.902 252.809 253.473 1.00 0.00 C +ATOM 40 CA SER A 40 245.641 250.295 255.229 1.00 0.00 C +ATOM 41 CA ILE A 41 246.768 250.258 258.868 1.00 0.00 C +ATOM 42 CA PRO A 42 246.603 249.103 262.495 1.00 0.00 C +ATOM 43 CA TYR A 43 248.878 247.115 264.815 1.00 0.00 C +ATOM 44 CA PRO A 44 252.022 246.081 262.927 1.00 0.00 C +ATOM 45 CA GLU A 45 254.943 245.051 260.708 1.00 0.00 C +ATOM 46 CA GLU A 46 256.549 245.416 257.272 1.00 0.00 C +ATOM 47 CA ASN A 47 256.724 244.223 253.658 1.00 0.00 C +ATOM 48 CA ARG A 48 258.959 242.606 251.030 1.00 0.00 C +ATOM 49 CA ARG A 49 261.352 239.645 251.175 1.00 0.00 C +ATOM 50 CA PRO A 50 264.390 238.857 249.014 1.00 0.00 C +ATOM 51 CA LYS A 51 266.858 236.229 250.248 1.00 0.00 C +ATOM 52 CA LEU A 52 268.536 233.632 248.022 1.00 0.00 C +ATOM 53 CA SER A 53 267.207 230.322 246.684 1.00 0.00 C +ATOM 54 CA ASP A 54 266.086 230.449 243.044 1.00 0.00 C +ATOM 55 CA MET A 55 266.888 233.641 241.126 1.00 0.00 C +ATOM 56 CA ASN A 56 263.491 235.277 240.577 1.00 0.00 C +ATOM 57 CA ARG A 57 259.895 234.105 241.032 1.00 0.00 C +ATOM 58 CA PRO A 58 256.274 233.356 241.951 1.00 0.00 C +ATOM 59 CA SER A 59 253.849 232.111 239.289 1.00 0.00 C +TER 60 SER A 59 +END diff --git a/Fungi/A0A8A1MG72/A0A8A1MG72.dcd b/Fungi/A0A8A1MG72/A0A8A1MG72.dcd new file mode 100644 index 0000000000000000000000000000000000000000..151ee1737d4cdce91ebe7ae9aad0e18cad257a79 --- /dev/null +++ b/Fungi/A0A8A1MG72/A0A8A1MG72.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:de113420d569c8beef100946a1e0cb47dd59d2f3f4d1c1bac0f909735fbd8c3f +size 14600276 diff --git a/Fungi/A0A8A1MG72/top.pdb b/Fungi/A0A8A1MG72/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c07aff328f7b0cbf037a24052d2116a4b55d737f --- /dev/null +++ b/Fungi/A0A8A1MG72/top.pdb @@ -0,0 +1,119 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 245.389 236.244 263.048 1.00 0.00 C +ATOM 2 CA LYS A 2 242.639 234.165 264.669 1.00 0.00 C +ATOM 3 CA GLU A 3 240.665 231.340 266.295 1.00 0.00 C +ATOM 4 CA THR A 4 241.153 231.350 270.074 1.00 0.00 C +ATOM 5 CA SER A 5 240.635 233.953 272.807 1.00 0.00 C +ATOM 6 CA ARG A 6 242.170 237.379 272.157 1.00 0.00 C +ATOM 7 CA MET A 7 242.689 238.956 275.586 1.00 0.00 C +ATOM 8 CA LYS A 8 240.547 237.456 278.357 1.00 0.00 C +ATOM 9 CA ARG A 9 239.062 237.284 281.861 1.00 0.00 C +ATOM 10 CA GLY A 10 235.547 238.733 281.607 1.00 0.00 C +ATOM 11 CA GLU A 11 234.596 241.486 279.152 1.00 0.00 C +ATOM 12 CA MET A 12 234.981 244.215 276.521 1.00 0.00 C +ATOM 13 CA VAL A 13 235.326 247.953 275.871 1.00 0.00 C +ATOM 14 CA SER A 14 236.695 251.506 276.005 1.00 0.00 C +ATOM 15 CA TRP A 15 237.049 255.258 276.566 1.00 0.00 C +ATOM 16 CA LYS A 16 239.860 257.265 274.958 1.00 0.00 C +ATOM 17 CA ASP A 17 240.135 261.063 274.831 1.00 0.00 C +ATOM 18 CA ASN A 18 240.276 264.632 276.158 1.00 0.00 C +ATOM 19 CA GLN A 19 239.747 267.862 274.208 1.00 0.00 C +ATOM 20 CA VAL A 20 242.784 270.160 274.297 1.00 0.00 C +ATOM 21 CA ALA A 21 245.602 272.684 273.838 1.00 0.00 C +ATOM 22 CA GLU A 22 245.042 276.133 272.321 1.00 0.00 C +ATOM 23 CA VAL A 23 245.169 279.368 274.330 1.00 0.00 C +ATOM 24 CA GLU A 24 247.567 280.494 277.068 1.00 0.00 C +ATOM 25 CA GLU A 25 249.361 277.575 278.734 1.00 0.00 C +ATOM 26 CA GLU A 26 251.838 274.849 279.710 1.00 0.00 C +ATOM 27 CA GLU A 27 254.032 272.678 277.477 1.00 0.00 C +ATOM 28 CA GLU A 28 255.920 272.322 274.187 1.00 0.00 C +ATOM 29 CA GLU A 29 258.181 269.256 274.274 1.00 0.00 C +ATOM 30 CA GLU A 30 258.044 267.108 271.131 1.00 0.00 C +ATOM 31 CA GLU A 31 256.308 265.912 267.957 1.00 0.00 C +ATOM 32 CA GLU A 32 252.588 266.719 268.097 1.00 0.00 C +ATOM 33 CA GLU A 33 249.040 267.304 269.359 1.00 0.00 C +ATOM 34 CA GLU A 34 245.676 266.421 267.805 1.00 0.00 C +ATOM 35 CA GLU A 35 244.112 263.451 266.001 1.00 0.00 C +ATOM 36 CA GLU A 36 240.497 262.433 266.639 1.00 0.00 C +ATOM 37 CA GLU A 37 238.320 264.661 268.832 1.00 0.00 C +ATOM 38 CA LYS A 38 234.638 265.175 267.996 1.00 0.00 C +ATOM 39 CA LYS A 39 232.832 262.328 269.771 1.00 0.00 C +ATOM 40 CA LYS A 40 230.910 259.285 268.523 1.00 0.00 C +ATOM 41 CA ASN A 41 231.078 255.972 266.649 1.00 0.00 C +ATOM 42 CA LYS A 42 231.109 256.919 262.959 1.00 0.00 C +ATOM 43 CA LYS A 43 232.417 255.220 259.810 1.00 0.00 C +ATOM 44 CA MET A 44 235.161 254.421 257.290 1.00 0.00 C +ATOM 45 CA MET A 45 235.985 256.168 254.006 1.00 0.00 C +ATOM 46 CA THR A 46 236.477 258.150 250.790 1.00 0.00 C +ATOM 47 CA MET A 47 239.475 256.800 248.865 1.00 0.00 C +ATOM 48 CA LYS A 48 238.350 256.071 245.299 1.00 0.00 C +ATOM 49 CA MET A 49 239.784 253.127 243.352 1.00 0.00 C +ATOM 50 CA LYS A 50 242.194 253.017 240.403 1.00 0.00 C +ATOM 51 CA MET A 51 240.715 250.985 237.540 1.00 0.00 C +ATOM 52 CA LYS A 52 237.857 248.677 238.550 1.00 0.00 C +ATOM 53 CA LYS A 53 236.495 246.320 235.883 1.00 0.00 C +ATOM 54 CA MET A 54 233.655 243.788 236.072 1.00 0.00 C +ATOM 55 CA LYS A 55 230.127 244.754 237.137 1.00 0.00 C +ATOM 56 CA LYS A 56 226.426 244.460 237.994 1.00 0.00 C +ATOM 57 CA MET A 57 223.043 246.065 238.696 1.00 0.00 C +ATOM 58 CA THR A 58 219.857 247.841 237.595 1.00 0.00 C +ATOM 59 CA MET A 59 219.443 250.864 235.314 1.00 0.00 C +ATOM 60 CA THR A 60 222.047 251.246 232.558 1.00 0.00 C +ATOM 61 CA ASP A 61 224.833 248.690 232.084 1.00 0.00 C +ATOM 62 CA ASP A 62 228.560 248.837 232.861 1.00 0.00 C +ATOM 63 CA ASP A 63 230.827 251.438 231.246 1.00 0.00 C +ATOM 64 CA GLY A 64 233.265 253.272 228.964 1.00 0.00 C +ATOM 65 CA ASP A 65 236.857 254.528 228.760 1.00 0.00 C +ATOM 66 CA ALA A 66 239.551 255.180 231.374 1.00 0.00 C +ATOM 67 CA ALA A 67 242.800 256.230 233.065 1.00 0.00 C +ATOM 68 CA GLN A 68 244.538 257.624 236.155 1.00 0.00 C +ATOM 69 CA HIS A 69 248.016 256.535 237.267 1.00 0.00 C +ATOM 70 CA ASN A 70 249.146 259.278 239.657 1.00 0.00 C +ATOM 71 CA THR A 71 251.270 261.036 242.287 1.00 0.00 C +ATOM 72 CA THR A 72 250.624 260.605 246.017 1.00 0.00 C +ATOM 73 CA GLN A 73 251.351 262.398 249.300 1.00 0.00 C +ATOM 74 CA LEU A 74 249.797 260.493 252.210 1.00 0.00 C +ATOM 75 CA THR A 75 251.546 261.690 255.376 1.00 0.00 C +ATOM 76 CA PRO A 76 254.703 259.873 256.492 1.00 0.00 C +ATOM 77 CA ILE A 77 258.509 259.976 256.370 1.00 0.00 C +ATOM 78 CA GLU A 78 259.755 260.164 252.774 1.00 0.00 C +ATOM 79 CA LYS A 79 261.638 259.741 249.489 1.00 0.00 C +ATOM 80 CA ALA A 80 262.736 258.229 246.169 1.00 0.00 C +ATOM 81 CA LEU A 81 266.228 257.205 245.041 1.00 0.00 C +ATOM 82 CA ARG A 82 267.857 259.946 242.955 1.00 0.00 C +ATOM 83 CA HIS A 83 270.445 260.042 240.160 1.00 0.00 C +ATOM 84 CA PRO A 84 269.069 259.942 236.609 1.00 0.00 C +ATOM 85 CA SER A 85 270.110 256.822 234.685 1.00 0.00 C +ATOM 86 CA PRO A 86 273.618 255.367 234.989 1.00 0.00 C +ATOM 87 CA SER A 87 275.116 253.962 231.780 1.00 0.00 C +ATOM 88 CA HIS A 88 274.823 250.203 231.236 1.00 0.00 C +ATOM 89 CA ARG A 89 274.561 246.502 232.104 1.00 0.00 C +ATOM 90 CA ARG A 90 274.784 243.502 229.767 1.00 0.00 C +ATOM 91 CA ALA A 91 278.042 241.545 230.040 1.00 0.00 C +ATOM 92 CA ARG A 92 281.717 242.452 230.476 1.00 0.00 C +ATOM 93 CA ASP A 93 283.017 240.211 233.270 1.00 0.00 C +ATOM 94 CA SER A 94 284.013 236.595 233.940 1.00 0.00 C +ATOM 95 CA ASP A 95 282.221 233.801 232.069 1.00 0.00 C +ATOM 96 CA SER A 96 283.648 231.580 229.322 1.00 0.00 C +ATOM 97 CA ASP A 97 282.380 232.110 225.769 1.00 0.00 C +ATOM 98 CA SER A 98 278.678 231.209 225.821 1.00 0.00 C +ATOM 99 CA ASP A 99 276.956 234.264 227.310 1.00 0.00 C +ATOM 100 CA SER A 100 274.705 236.731 225.476 1.00 0.00 C +ATOM 101 CA THR A 101 272.247 234.523 223.580 1.00 0.00 C +ATOM 102 CA GLN A 102 269.876 231.833 224.870 1.00 0.00 C +ATOM 103 CA ARG A 103 269.515 228.507 226.692 1.00 0.00 C +ATOM 104 CA PRO A 104 269.888 224.724 226.950 1.00 0.00 C +ATOM 105 CA SER A 105 268.254 223.864 230.283 1.00 0.00 C +ATOM 106 CA LEU A 106 264.938 225.453 231.281 1.00 0.00 C +ATOM 107 CA SER A 107 261.454 226.281 232.582 1.00 0.00 C +ATOM 108 CA PRO A 108 259.378 223.528 234.203 1.00 0.00 C +ATOM 109 CA SER A 109 258.535 221.741 237.461 1.00 0.00 C +ATOM 110 CA VAL A 110 255.017 220.291 237.656 1.00 0.00 C +ATOM 111 CA SER A 111 253.894 218.981 234.259 1.00 0.00 C +ATOM 112 CA LEU A 112 252.799 219.928 230.734 1.00 0.00 C +ATOM 113 CA ALA A 113 255.037 221.073 227.872 1.00 0.00 C +ATOM 114 CA TYR A 114 254.213 221.262 224.157 1.00 0.00 C +ATOM 115 CA ARG A 115 253.330 222.924 220.844 1.00 0.00 C +TER 116 ARG A 115 +END diff --git a/Fungi/A0A8E2E3R0/A0A8E2E3R0.dcd b/Fungi/A0A8E2E3R0/A0A8E2E3R0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d35925471491eb0cc588bc6f1840eac66fe4188b --- /dev/null +++ b/Fungi/A0A8E2E3R0/A0A8E2E3R0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ec6f2818aebdb1c579e4d1f6485db966b976bf8f08b9d19bb69bf00be4a30ccc +size 13160276 diff --git a/Fungi/A0A8E2E3R0/top.pdb b/Fungi/A0A8E2E3R0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..adf12378c0cd66473e0bba7cc9712378885246b2 --- /dev/null +++ b/Fungi/A0A8E2E3R0/top.pdb @@ -0,0 +1,107 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 224.960 270.496 250.070 1.00 0.00 C +ATOM 2 CA GLN A 2 222.666 272.407 252.435 1.00 0.00 C +ATOM 3 CA GLY A 3 220.676 275.558 251.642 1.00 0.00 C +ATOM 4 CA GLN A 4 221.856 277.687 248.711 1.00 0.00 C +ATOM 5 CA SER A 5 219.370 277.189 245.866 1.00 0.00 C +ATOM 6 CA THR A 6 220.330 277.955 242.260 1.00 0.00 C +ATOM 7 CA SER A 7 218.943 280.247 239.550 1.00 0.00 C +ATOM 8 CA ASN A 8 215.569 280.735 237.848 1.00 0.00 C +ATOM 9 CA SER A 9 212.987 278.264 236.529 1.00 0.00 C +ATOM 10 CA PHE A 10 213.421 275.398 234.055 1.00 0.00 C +ATOM 11 CA ILE A 11 215.065 271.989 233.620 1.00 0.00 C +ATOM 12 CA PRO A 12 214.311 268.738 235.458 1.00 0.00 C +ATOM 13 CA ARG A 13 212.698 268.834 238.909 1.00 0.00 C +ATOM 14 CA ARG A 14 211.215 269.021 242.414 1.00 0.00 C +ATOM 15 CA SER A 15 213.070 270.501 245.395 1.00 0.00 C +ATOM 16 CA PRO A 16 215.792 271.080 247.997 1.00 0.00 C +ATOM 17 CA GLN A 17 215.143 270.941 251.748 1.00 0.00 C +ATOM 18 CA SER A 18 214.950 268.791 254.888 1.00 0.00 C +ATOM 19 CA PRO A 19 211.715 267.270 256.205 1.00 0.00 C +ATOM 20 CA SER A 20 210.031 263.916 255.549 1.00 0.00 C +ATOM 21 CA LYS A 21 212.435 260.968 255.334 1.00 0.00 C +ATOM 22 CA LEU A 22 215.785 261.225 253.538 1.00 0.00 C +ATOM 23 CA ARG A 23 217.495 261.271 250.133 1.00 0.00 C +ATOM 24 CA PRO A 24 221.290 261.310 249.802 1.00 0.00 C +ATOM 25 CA SER A 25 223.954 258.661 250.433 1.00 0.00 C +ATOM 26 CA ILE A 26 226.440 255.963 251.463 1.00 0.00 C +ATOM 27 CA PRO A 27 228.295 253.432 253.625 1.00 0.00 C +ATOM 28 CA GLN A 28 229.734 250.766 251.315 1.00 0.00 C +ATOM 29 CA ALA A 29 232.290 250.572 248.496 1.00 0.00 C +ATOM 30 CA LEU A 30 235.356 250.844 246.251 1.00 0.00 C +ATOM 31 CA TYR A 31 238.746 249.301 245.448 1.00 0.00 C +ATOM 32 CA THR A 32 239.168 247.005 242.437 1.00 0.00 C +ATOM 33 CA LEU A 33 240.470 243.424 242.428 1.00 0.00 C +ATOM 34 CA ASP A 34 242.719 241.185 244.536 1.00 0.00 C +ATOM 35 CA PRO A 35 246.089 242.582 245.634 1.00 0.00 C +ATOM 36 CA PRO A 36 246.695 244.909 248.589 1.00 0.00 C +ATOM 37 CA TYR A 37 244.858 244.722 251.922 1.00 0.00 C +ATOM 38 CA PRO A 38 245.104 245.049 255.710 1.00 0.00 C +ATOM 39 CA PRO A 39 243.209 246.354 258.747 1.00 0.00 C +ATOM 40 CA PRO A 40 239.827 244.884 259.705 1.00 0.00 C +ATOM 41 CA MET A 41 238.236 246.553 262.738 1.00 0.00 C +ATOM 42 CA SER A 42 237.112 246.059 266.345 1.00 0.00 C +ATOM 43 CA SER A 43 234.168 245.081 268.557 1.00 0.00 C +ATOM 44 CA GLU A 44 232.024 244.836 271.696 1.00 0.00 C +ATOM 45 CA THR A 45 230.975 242.755 274.711 1.00 0.00 C +ATOM 46 CA ARG A 46 232.800 242.470 278.043 1.00 0.00 C +ATOM 47 CA THR A 47 234.255 244.725 280.747 1.00 0.00 C +ATOM 48 CA SER A 48 237.916 245.762 280.556 1.00 0.00 C +ATOM 49 CA SER A 49 241.377 247.099 279.689 1.00 0.00 C +ATOM 50 CA PRO A 50 242.780 248.954 276.671 1.00 0.00 C +ATOM 51 CA GLN A 51 241.111 247.941 273.400 1.00 0.00 C +ATOM 52 CA HIS A 52 242.294 244.696 271.792 1.00 0.00 C +ATOM 53 CA PRO A 53 242.362 240.888 271.911 1.00 0.00 C +ATOM 54 CA SER A 54 241.869 239.374 268.450 1.00 0.00 C +ATOM 55 CA PRO A 55 244.721 239.926 265.986 1.00 0.00 C +ATOM 56 CA ILE A 56 245.415 240.213 262.251 1.00 0.00 C +ATOM 57 CA PRO A 57 244.348 238.815 258.871 1.00 0.00 C +ATOM 58 CA HIS A 58 245.791 235.432 257.877 1.00 0.00 C +ATOM 59 CA PRO A 59 249.224 234.352 259.128 1.00 0.00 C +ATOM 60 CA PRO A 60 252.964 234.022 258.478 1.00 0.00 C +ATOM 61 CA SER A 61 254.928 231.949 255.956 1.00 0.00 C +ATOM 62 CA ILE A 62 257.281 231.658 252.973 1.00 0.00 C +ATOM 63 CA TYR A 63 259.052 234.954 252.258 1.00 0.00 C +ATOM 64 CA SER A 64 261.852 236.391 250.110 1.00 0.00 C +ATOM 65 CA THR A 65 264.494 238.478 251.893 1.00 0.00 C +ATOM 66 CA ASN A 66 265.799 241.687 253.479 1.00 0.00 C +ATOM 67 CA TYR A 67 269.511 242.287 252.869 1.00 0.00 C +ATOM 68 CA PRO A 68 273.188 243.224 253.217 1.00 0.00 C +ATOM 69 CA PRO A 69 276.278 241.412 254.515 1.00 0.00 C +ATOM 70 CA GLN A 70 279.012 242.869 256.732 1.00 0.00 C +ATOM 71 CA GLY A 71 279.260 245.671 259.302 1.00 0.00 C +ATOM 72 CA ILE A 72 281.436 248.798 259.211 1.00 0.00 C +ATOM 73 CA LEU A 73 282.721 252.293 260.016 1.00 0.00 C +ATOM 74 CA SER A 74 286.521 252.166 259.770 1.00 0.00 C +ATOM 75 CA GLN A 75 289.629 250.006 260.208 1.00 0.00 C +ATOM 76 CA PRO A 76 291.118 246.542 260.754 1.00 0.00 C +ATOM 77 CA HIS A 77 292.184 244.805 257.535 1.00 0.00 C +ATOM 78 CA THR A 78 295.592 244.373 255.888 1.00 0.00 C +ATOM 79 CA THR A 79 295.361 245.804 252.364 1.00 0.00 C +ATOM 80 CA ILE A 80 296.729 244.156 249.212 1.00 0.00 C +ATOM 81 CA SER A 81 295.657 241.263 246.977 1.00 0.00 C +ATOM 82 CA ILE A 82 293.672 238.124 246.126 1.00 0.00 C +ATOM 83 CA PRO A 83 291.545 238.345 242.973 1.00 0.00 C +ATOM 84 CA THR A 84 288.540 240.687 242.948 1.00 0.00 C +ATOM 85 CA VAL A 85 285.407 240.656 240.780 1.00 0.00 C +ATOM 86 CA ASP A 86 282.936 238.988 238.409 1.00 0.00 C +ATOM 87 CA ASP A 87 281.688 240.509 235.146 1.00 0.00 C +ATOM 88 CA GLN A 88 280.426 242.904 232.465 1.00 0.00 C +ATOM 89 CA SER A 89 277.585 242.376 229.982 1.00 0.00 C +ATOM 90 CA THR A 90 275.583 239.353 228.810 1.00 0.00 C +ATOM 91 CA GLN A 91 274.998 236.008 227.080 1.00 0.00 C +ATOM 92 CA SER A 92 274.478 235.686 223.320 1.00 0.00 C +ATOM 93 CA THR A 93 272.404 238.555 221.910 1.00 0.00 C +ATOM 94 CA GLY A 94 269.251 239.271 219.895 1.00 0.00 C +ATOM 95 CA GLY A 95 266.980 241.541 221.947 1.00 0.00 C +ATOM 96 CA LEU A 96 266.367 241.157 225.688 1.00 0.00 C +ATOM 97 CA TRP A 97 268.672 242.397 228.456 1.00 0.00 C +ATOM 98 CA LEU A 98 268.406 244.231 231.785 1.00 0.00 C +ATOM 99 CA VAL A 99 269.238 247.200 234.024 1.00 0.00 C +ATOM 100 CA GLU A 100 272.329 248.974 232.678 1.00 0.00 C +ATOM 101 CA LEU A 101 275.339 249.919 230.541 1.00 0.00 C +ATOM 102 CA LYS A 102 278.933 249.267 231.624 1.00 0.00 C +ATOM 103 CA ASP A 103 281.149 251.670 233.581 1.00 0.00 C +TER 104 ASP A 103 +END diff --git a/Fungi/A0A8H2ZX85/A0A8H2ZX85.dcd b/Fungi/A0A8H2ZX85/A0A8H2ZX85.dcd new file mode 100644 index 0000000000000000000000000000000000000000..94852235c9406c62c83216167c7f1b188559ae81 --- /dev/null +++ b/Fungi/A0A8H2ZX85/A0A8H2ZX85.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fb5496fbd9a3dae621a10ebe590decd1f8d74e5ab6622e28bca8070cb12473a2 +size 10640276 diff --git a/Fungi/A0A8H2ZX85/top.pdb b/Fungi/A0A8H2ZX85/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..de2216230468e0744f2e6446f2e4d5ec752c0f70 --- /dev/null +++ b/Fungi/A0A8H2ZX85/top.pdb @@ -0,0 +1,86 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 221.215 224.394 297.900 1.00 0.00 C +ATOM 2 CA VAL A 2 223.692 222.117 296.114 1.00 0.00 C +ATOM 3 CA VAL A 3 227.348 221.071 295.878 1.00 0.00 C +ATOM 4 CA ALA A 4 228.540 217.460 295.647 1.00 0.00 C +ATOM 5 CA PRO A 5 231.137 216.443 293.051 1.00 0.00 C +ATOM 6 CA ALA A 6 234.375 214.449 292.819 1.00 0.00 C +ATOM 7 CA ASN A 7 237.471 216.669 292.788 1.00 0.00 C +ATOM 8 CA LEU A 8 240.630 217.008 290.684 1.00 0.00 C +ATOM 9 CA SER A 9 243.046 219.908 290.164 1.00 0.00 C +ATOM 10 CA SER A 10 244.860 222.114 287.644 1.00 0.00 C +ATOM 11 CA SER A 11 243.989 223.020 284.047 1.00 0.00 C +ATOM 12 CA ARG A 12 242.362 225.967 282.263 1.00 0.00 C +ATOM 13 CA LEU A 13 241.048 229.442 283.109 1.00 0.00 C +ATOM 14 CA GLN A 14 239.478 229.671 286.573 1.00 0.00 C +ATOM 15 CA GLN A 15 239.387 232.860 288.656 1.00 0.00 C +ATOM 16 CA ARG A 16 238.538 236.574 288.600 1.00 0.00 C +ATOM 17 CA GLN A 17 236.356 238.234 285.955 1.00 0.00 C +ATOM 18 CA ARG A 18 236.049 241.942 285.133 1.00 0.00 C +ATOM 19 CA LYS A 19 235.150 243.889 281.983 1.00 0.00 C +ATOM 20 CA ALA A 20 236.907 246.898 280.443 1.00 0.00 C +ATOM 21 CA ALA A 21 235.624 249.827 278.372 1.00 0.00 C +ATOM 22 CA PRO A 22 234.677 250.708 274.788 1.00 0.00 C +ATOM 23 CA PRO A 23 231.216 252.236 274.337 1.00 0.00 C +ATOM 24 CA VAL A 24 231.181 255.587 272.524 1.00 0.00 C +ATOM 25 CA LEU A 25 230.458 255.600 268.783 1.00 0.00 C +ATOM 26 CA SER A 26 229.902 254.227 265.273 1.00 0.00 C +ATOM 27 CA PHE A 27 231.516 253.061 262.025 1.00 0.00 C +ATOM 28 CA GLY A 28 234.308 255.134 260.468 1.00 0.00 C +ATOM 29 CA ALA A 29 236.222 257.345 258.027 1.00 0.00 C +ATOM 30 CA PRO A 30 237.977 257.318 254.645 1.00 0.00 C +ATOM 31 CA GLN A 31 240.267 257.389 251.601 1.00 0.00 C +ATOM 32 CA ILE A 32 240.696 255.260 248.470 1.00 0.00 C +ATOM 33 CA ARG A 33 240.918 257.458 245.366 1.00 0.00 C +ATOM 34 CA ALA A 34 240.786 261.263 245.240 1.00 0.00 C +ATOM 35 CA PRO A 35 239.122 263.304 247.994 1.00 0.00 C +ATOM 36 CA ARG A 36 235.433 262.586 248.620 1.00 0.00 C +ATOM 37 CA ARG A 37 232.330 264.776 248.317 1.00 0.00 C +ATOM 38 CA ARG A 38 229.398 263.486 250.380 1.00 0.00 C +ATOM 39 CA ALA A 39 226.829 261.211 248.725 1.00 0.00 C +ATOM 40 CA THR A 40 227.883 258.982 245.820 1.00 0.00 C +ATOM 41 CA HIS A 41 231.204 259.498 244.026 1.00 0.00 C +ATOM 42 CA HIS A 42 232.965 256.195 243.316 1.00 0.00 C +ATOM 43 CA PRO A 43 235.887 257.038 241.021 1.00 0.00 C +ATOM 44 CA LYS A 44 238.715 256.060 238.663 1.00 0.00 C +ATOM 45 CA VAL A 45 240.324 252.608 238.762 1.00 0.00 C +ATOM 46 CA GLU A 46 240.756 249.822 236.199 1.00 0.00 C +ATOM 47 CA SER A 47 244.063 250.422 234.405 1.00 0.00 C +ATOM 48 CA VAL A 48 247.127 252.596 235.039 1.00 0.00 C +ATOM 49 CA SER A 49 249.675 252.596 232.206 1.00 0.00 C +ATOM 50 CA SER A 50 252.562 252.694 229.722 1.00 0.00 C +ATOM 51 CA THR A 51 255.531 252.414 227.351 1.00 0.00 C +ATOM 52 CA ASN A 52 258.468 251.305 229.509 1.00 0.00 C +ATOM 53 CA MET A 53 259.181 247.643 228.736 1.00 0.00 C +ATOM 54 CA SER A 54 260.253 244.201 227.502 1.00 0.00 C +ATOM 55 CA ARG A 55 263.356 244.173 225.291 1.00 0.00 C +ATOM 56 CA ASP A 56 267.010 244.114 226.368 1.00 0.00 C +ATOM 57 CA ASP A 57 269.947 245.287 228.492 1.00 0.00 C +ATOM 58 CA PRO A 58 270.869 246.803 231.864 1.00 0.00 C +ATOM 59 CA PRO A 59 270.977 249.790 234.226 1.00 0.00 C +ATOM 60 CA SER A 60 272.769 253.104 233.659 1.00 0.00 C +ATOM 61 CA PRO A 61 276.499 253.844 233.432 1.00 0.00 C +ATOM 62 CA PRO A 62 278.214 255.458 230.437 1.00 0.00 C +ATOM 63 CA PRO A 63 277.755 256.026 226.698 1.00 0.00 C +ATOM 64 CA ASN A 64 276.222 259.357 225.660 1.00 0.00 C +ATOM 65 CA PRO A 65 274.432 262.671 225.090 1.00 0.00 C +ATOM 66 CA PRO A 66 274.343 266.454 225.537 1.00 0.00 C +ATOM 67 CA PRO A 67 272.668 269.755 226.438 1.00 0.00 C +ATOM 68 CA SER A 68 271.299 273.194 227.341 1.00 0.00 C +ATOM 69 CA PRO A 69 268.108 273.954 229.278 1.00 0.00 C +ATOM 70 CA SER A 70 266.210 270.728 229.991 1.00 0.00 C +ATOM 71 CA MET A 71 264.811 268.420 227.302 1.00 0.00 C +ATOM 72 CA LEU A 72 265.907 266.523 224.185 1.00 0.00 C +ATOM 73 CA ILE A 73 265.016 264.768 220.923 1.00 0.00 C +ATOM 74 CA GLU A 74 266.350 265.794 217.505 1.00 0.00 C +ATOM 75 CA LEU A 75 270.154 265.768 217.299 1.00 0.00 C +ATOM 76 CA ASP A 76 273.575 264.090 217.261 1.00 0.00 C +ATOM 77 CA ASP A 77 274.559 260.410 217.299 1.00 0.00 C +ATOM 78 CA ASP A 78 277.412 257.968 217.941 1.00 0.00 C +ATOM 79 CA ASP A 79 279.821 258.083 214.991 1.00 0.00 C +ATOM 80 CA PHE A 80 283.587 257.549 215.211 1.00 0.00 C +ATOM 81 CA LYS A 81 285.576 260.491 216.590 1.00 0.00 C +ATOM 82 CA ILE A 82 287.520 263.445 218.008 1.00 0.00 C +TER 83 ILE A 82 +END diff --git a/Fungi/A0A8H3FH47/A0A8H3FH47.dcd b/Fungi/A0A8H3FH47/A0A8H3FH47.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b7b23a078a5217f4ebda7496624d915b4b3d82d7 --- /dev/null +++ b/Fungi/A0A8H3FH47/A0A8H3FH47.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5a294b1f7f61429fafe4b87179c3ee4175daf5ba36eacbc1ba4286bd43cb64f5 +size 11120276 diff --git a/Fungi/A0A8H3FH47/top.pdb b/Fungi/A0A8H3FH47/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..6ef194c01d269493283076e9cce883a1c23b72ea --- /dev/null +++ b/Fungi/A0A8H3FH47/top.pdb @@ -0,0 +1,90 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 244.524 225.769 256.779 1.00 0.00 C +ATOM 2 CA SER A 2 241.420 223.648 256.159 1.00 0.00 C +ATOM 3 CA GLU A 3 239.447 222.049 258.999 1.00 0.00 C +ATOM 4 CA VAL A 4 241.601 222.384 262.124 1.00 0.00 C +ATOM 5 CA GLY A 5 240.265 224.229 265.177 1.00 0.00 C +ATOM 6 CA ASN A 6 240.675 227.070 267.682 1.00 0.00 C +ATOM 7 CA ARG A 7 242.442 230.422 267.280 1.00 0.00 C +ATOM 8 CA GLY A 8 243.877 231.811 270.524 1.00 0.00 C +ATOM 9 CA TYR A 9 243.690 231.817 274.330 1.00 0.00 C +ATOM 10 CA VAL A 10 245.225 230.676 277.625 1.00 0.00 C +ATOM 11 CA LEU A 11 243.288 232.279 280.487 1.00 0.00 C +ATOM 12 CA THR A 12 241.358 230.702 283.368 1.00 0.00 C +ATOM 13 CA LEU A 13 238.726 231.191 286.079 1.00 0.00 C +ATOM 14 CA GLY A 14 235.383 232.738 285.106 1.00 0.00 C +ATOM 15 CA ARG A 15 233.160 235.537 283.788 1.00 0.00 C +ATOM 16 CA GLY A 16 234.732 237.667 281.047 1.00 0.00 C +ATOM 17 CA ARG A 17 233.587 236.837 277.509 1.00 0.00 C +ATOM 18 CA ARG A 18 236.791 236.250 275.533 1.00 0.00 C +ATOM 19 CA LYS A 19 238.672 236.392 272.222 1.00 0.00 C +ATOM 20 CA MET A 20 239.443 236.970 268.536 1.00 0.00 C +ATOM 21 CA ARG A 21 239.991 239.292 265.565 1.00 0.00 C +ATOM 22 CA GLU A 22 238.009 237.876 262.635 1.00 0.00 C +ATOM 23 CA GLY A 23 240.406 236.700 259.918 1.00 0.00 C +ATOM 24 CA LYS A 24 243.642 238.042 258.419 1.00 0.00 C +ATOM 25 CA PRO A 25 245.942 235.008 258.272 1.00 0.00 C +ATOM 26 CA MET A 26 249.706 234.613 257.826 1.00 0.00 C +ATOM 27 CA SER A 27 251.032 233.522 261.227 1.00 0.00 C +ATOM 28 CA SER A 28 254.590 234.679 261.943 1.00 0.00 C +ATOM 29 CA GLU A 29 255.560 236.730 258.882 1.00 0.00 C +ATOM 30 CA GLU A 30 254.935 240.321 257.771 1.00 0.00 C +ATOM 31 CA GLU A 31 257.246 241.164 254.862 1.00 0.00 C +ATOM 32 CA GLU A 32 258.720 244.549 253.921 1.00 0.00 C +ATOM 33 CA GLU A 33 261.603 244.671 251.432 1.00 0.00 C +ATOM 34 CA GLU A 34 261.559 245.417 247.696 1.00 0.00 C +ATOM 35 CA GLU A 35 261.937 247.793 244.742 1.00 0.00 C +ATOM 36 CA GLU A 36 262.935 251.182 246.168 1.00 0.00 C +ATOM 37 CA GLU A 37 264.348 253.895 248.440 1.00 0.00 C +ATOM 38 CA GLU A 38 268.131 253.496 248.220 1.00 0.00 C +ATOM 39 CA GLU A 39 271.204 251.245 248.177 1.00 0.00 C +ATOM 40 CA GLU A 40 270.258 248.352 245.887 1.00 0.00 C +ATOM 41 CA GLU A 41 271.157 244.905 244.533 1.00 0.00 C +ATOM 42 CA GLU A 42 273.736 245.261 241.751 1.00 0.00 C +ATOM 43 CA GLU A 43 274.105 246.063 238.045 1.00 0.00 C +ATOM 44 CA GLU A 44 276.662 248.884 237.890 1.00 0.00 C +ATOM 45 CA GLU A 45 278.482 252.073 238.905 1.00 0.00 C +ATOM 46 CA GLU A 46 276.775 255.478 238.981 1.00 0.00 C +ATOM 47 CA GLU A 47 273.310 255.584 237.400 1.00 0.00 C +ATOM 48 CA GLU A 48 273.615 255.083 233.635 1.00 0.00 C +ATOM 49 CA GLU A 49 270.317 255.672 231.820 1.00 0.00 C +ATOM 50 CA GLU A 50 267.723 258.327 230.964 1.00 0.00 C +ATOM 51 CA GLY A 51 269.273 261.211 229.015 1.00 0.00 C +ATOM 52 CA ALA A 52 267.218 263.245 226.534 1.00 0.00 C +ATOM 53 CA GLU A 53 264.220 264.401 224.487 1.00 0.00 C +ATOM 54 CA ARG A 54 261.193 266.104 226.054 1.00 0.00 C +ATOM 55 CA GLU A 55 259.310 268.337 223.607 1.00 0.00 C +ATOM 56 CA PHE A 56 256.107 266.473 222.720 1.00 0.00 C +ATOM 57 CA CYS A 57 253.719 265.592 225.555 1.00 0.00 C +ATOM 58 CA ILE A 58 251.113 262.956 226.433 1.00 0.00 C +ATOM 59 CA PRO A 59 249.840 259.864 228.260 1.00 0.00 C +ATOM 60 CA LYS A 60 252.313 258.107 230.565 1.00 0.00 C +ATOM 61 CA LYS A 61 252.083 254.315 230.276 1.00 0.00 C +ATOM 62 CA GLY A 62 248.728 252.568 230.735 1.00 0.00 C +ATOM 63 CA ILE A 63 246.395 254.697 232.866 1.00 0.00 C +ATOM 64 CA GLU A 64 242.837 255.984 233.311 1.00 0.00 C +ATOM 65 CA GLY A 65 239.433 255.416 234.927 1.00 0.00 C +ATOM 66 CA SER A 66 237.825 257.473 237.702 1.00 0.00 C +ATOM 67 CA GLY A 67 234.869 255.573 239.176 1.00 0.00 C +ATOM 68 CA VAL A 68 232.102 255.884 236.576 1.00 0.00 C +ATOM 69 CA VAL A 69 228.726 257.395 235.661 1.00 0.00 C +ATOM 70 CA THR A 70 228.671 260.875 237.213 1.00 0.00 C +ATOM 71 CA ARG A 71 230.859 261.897 240.160 1.00 0.00 C +ATOM 72 CA GLY A 72 233.889 263.706 241.595 1.00 0.00 C +ATOM 73 CA ASN A 73 235.751 265.695 244.258 1.00 0.00 C +ATOM 74 CA ARG A 74 238.828 267.931 244.030 1.00 0.00 C +ATOM 75 CA ASN A 75 242.339 268.545 245.375 1.00 0.00 C +ATOM 76 CA PHE A 76 242.332 272.108 246.724 1.00 0.00 C +ATOM 77 CA GLU A 77 240.136 274.922 248.057 1.00 0.00 C +ATOM 78 CA SER A 78 241.136 278.037 250.009 1.00 0.00 C +ATOM 79 CA SER A 79 243.812 278.302 252.708 1.00 0.00 C +ATOM 80 CA ALA A 80 246.594 275.699 252.711 1.00 0.00 C +ATOM 81 CA ARG A 81 247.379 272.699 254.925 1.00 0.00 C +ATOM 82 CA THR A 82 244.458 270.378 255.697 1.00 0.00 C +ATOM 83 CA ALA A 83 244.214 267.643 253.056 1.00 0.00 C +ATOM 84 CA ASP A 84 247.146 267.274 250.652 1.00 0.00 C +ATOM 85 CA ASP A 85 248.280 267.225 247.015 1.00 0.00 C +ATOM 86 CA ASP A 86 250.929 269.158 245.075 1.00 0.00 C +TER 87 ASP A 86 +END diff --git a/Fungi/A0A8H3FKT5/A0A8H3FKT5.dcd b/Fungi/A0A8H3FKT5/A0A8H3FKT5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..1ecb70e9c4d2b3e5604dabfc07c1605321c7e908 --- /dev/null +++ b/Fungi/A0A8H3FKT5/A0A8H3FKT5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a9f4aea4ed05c4daf5867af93367c0ec0bd9e12b973b0c42922e554b6e7a6180 +size 13640276 diff --git a/Fungi/A0A8H3FKT5/top.pdb b/Fungi/A0A8H3FKT5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..711c891dc69abe18d35631defd1023127cd50863 --- /dev/null +++ b/Fungi/A0A8H3FKT5/top.pdb @@ -0,0 +1,111 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 238.825 261.317 257.202 1.00 0.00 C +ATOM 2 CA SER A 2 235.194 261.077 256.074 1.00 0.00 C +ATOM 3 CA VAL A 3 232.866 258.839 258.095 1.00 0.00 C +ATOM 4 CA PRO A 4 232.946 255.303 259.512 1.00 0.00 C +ATOM 5 CA VAL A 5 235.467 252.635 260.534 1.00 0.00 C +ATOM 6 CA GLU A 6 235.109 248.855 260.846 1.00 0.00 C +ATOM 7 CA ASP A 7 232.759 247.167 263.325 1.00 0.00 C +ATOM 8 CA GLY A 8 230.776 248.983 266.025 1.00 0.00 C +ATOM 9 CA PRO A 9 227.155 249.497 267.091 1.00 0.00 C +ATOM 10 CA GLN A 10 225.662 252.400 269.056 1.00 0.00 C +ATOM 11 CA GLY A 11 222.725 254.780 268.580 1.00 0.00 C +ATOM 12 CA ILE A 12 219.211 255.216 267.174 1.00 0.00 C +ATOM 13 CA SER A 13 217.166 256.118 264.088 1.00 0.00 C +ATOM 14 CA SER A 14 216.786 259.453 262.286 1.00 0.00 C +ATOM 15 CA SER A 15 218.258 262.966 262.174 1.00 0.00 C +ATOM 16 CA ASN A 16 219.402 266.011 260.191 1.00 0.00 C +ATOM 17 CA GLN A 17 222.691 267.425 258.888 1.00 0.00 C +ATOM 18 CA ALA A 18 226.449 267.760 258.357 1.00 0.00 C +ATOM 19 CA THR A 19 227.063 266.007 255.030 1.00 0.00 C +ATOM 20 CA PRO A 20 224.578 266.682 252.222 1.00 0.00 C +ATOM 21 CA GLN A 21 221.055 265.268 251.902 1.00 0.00 C +ATOM 22 CA LEU A 22 217.348 266.079 251.556 1.00 0.00 C +ATOM 23 CA ASP A 23 216.897 269.499 249.937 1.00 0.00 C +ATOM 24 CA SER A 24 215.975 272.062 252.602 1.00 0.00 C +ATOM 25 CA LEU A 25 217.236 275.366 251.185 1.00 0.00 C +ATOM 26 CA VAL A 26 214.227 277.068 249.583 1.00 0.00 C +ATOM 27 CA SER A 27 213.916 275.952 245.953 1.00 0.00 C +ATOM 28 CA ALA A 28 216.309 275.751 242.996 1.00 0.00 C +ATOM 29 CA SER A 29 219.731 274.823 244.391 1.00 0.00 C +ATOM 30 CA HIS A 30 223.265 276.168 243.920 1.00 0.00 C +ATOM 31 CA SER A 31 225.729 274.893 246.531 1.00 0.00 C +ATOM 32 CA LEU A 32 226.500 272.301 249.214 1.00 0.00 C +ATOM 33 CA SER A 33 229.899 270.825 250.099 1.00 0.00 C +ATOM 34 CA GLU A 34 232.959 269.104 248.618 1.00 0.00 C +ATOM 35 CA GLY A 35 235.402 271.102 246.485 1.00 0.00 C +ATOM 36 CA SER A 36 238.834 269.721 245.573 1.00 0.00 C +ATOM 37 CA GLN A 37 242.284 268.877 246.951 1.00 0.00 C +ATOM 38 CA ALA A 38 243.868 265.412 246.914 1.00 0.00 C +ATOM 39 CA GLU A 39 247.611 265.656 246.251 1.00 0.00 C +ATOM 40 CA THR A 40 251.114 264.173 246.477 1.00 0.00 C +ATOM 41 CA SER A 41 251.841 262.071 243.384 1.00 0.00 C +ATOM 42 CA LYS A 42 254.897 260.123 242.207 1.00 0.00 C +ATOM 43 CA SER A 43 258.462 259.984 240.871 1.00 0.00 C +ATOM 44 CA GLU A 44 260.928 261.423 243.394 1.00 0.00 C +ATOM 45 CA ASP A 45 260.780 259.499 246.679 1.00 0.00 C +ATOM 46 CA GLU A 46 263.029 256.556 247.570 1.00 0.00 C +ATOM 47 CA ILE A 47 261.857 252.987 246.933 1.00 0.00 C +ATOM 48 CA SER A 48 261.118 249.275 246.491 1.00 0.00 C +ATOM 49 CA GLY A 49 262.482 247.075 249.287 1.00 0.00 C +ATOM 50 CA LEU A 50 265.470 245.301 250.848 1.00 0.00 C +ATOM 51 CA GLY A 51 268.575 243.503 252.130 1.00 0.00 C +ATOM 52 CA ALA A 52 269.674 239.877 251.725 1.00 0.00 C +ATOM 53 CA VAL A 53 271.584 237.278 249.698 1.00 0.00 C +ATOM 54 CA ASP A 54 269.743 235.407 246.937 1.00 0.00 C +ATOM 55 CA LEU A 55 267.219 236.980 244.557 1.00 0.00 C +ATOM 56 CA GLY A 56 263.777 238.606 244.396 1.00 0.00 C +ATOM 57 CA GLU A 57 262.550 241.997 243.166 1.00 0.00 C +ATOM 58 CA SER A 58 262.753 243.802 239.817 1.00 0.00 C +ATOM 59 CA THR A 59 260.446 242.460 237.098 1.00 0.00 C +ATOM 60 CA MET A 60 256.796 243.421 236.577 1.00 0.00 C +ATOM 61 CA ASP A 61 254.081 246.072 236.924 1.00 0.00 C +ATOM 62 CA ILE A 62 255.150 248.887 234.590 1.00 0.00 C +ATOM 63 CA SER A 63 258.424 250.549 235.607 1.00 0.00 C +ATOM 64 CA SER A 64 261.390 251.695 237.707 1.00 0.00 C +ATOM 65 CA GLU A 65 264.783 250.748 239.159 1.00 0.00 C +ATOM 66 CA GLY A 66 268.146 249.390 240.327 1.00 0.00 C +ATOM 67 CA ALA A 67 271.808 250.154 241.048 1.00 0.00 C +ATOM 68 CA GLY A 68 274.998 249.972 238.973 1.00 0.00 C +ATOM 69 CA ILE A 69 278.596 248.740 238.738 1.00 0.00 C +ATOM 70 CA SER A 70 279.137 245.852 241.164 1.00 0.00 C +ATOM 71 CA ASP A 71 276.829 243.094 242.422 1.00 0.00 C +ATOM 72 CA PHE A 72 278.313 239.641 241.791 1.00 0.00 C +ATOM 73 CA PRO A 73 276.904 236.626 243.646 1.00 0.00 C +ATOM 74 CA SER A 74 275.423 234.238 241.073 1.00 0.00 C +ATOM 75 CA THR A 75 273.350 232.407 238.452 1.00 0.00 C +ATOM 76 CA GLU A 76 272.145 230.941 235.149 1.00 0.00 C +ATOM 77 CA PRO A 77 268.551 231.389 233.966 1.00 0.00 C +ATOM 78 CA ALA A 78 264.935 231.189 235.148 1.00 0.00 C +ATOM 79 CA HIS A 79 261.715 231.895 237.059 1.00 0.00 C +ATOM 80 CA GLU A 80 258.270 232.172 238.662 1.00 0.00 C +ATOM 81 CA ALA A 81 258.276 233.543 242.217 1.00 0.00 C +ATOM 82 CA ALA A 82 256.351 231.987 245.114 1.00 0.00 C +ATOM 83 CA PRO A 83 257.854 231.784 248.609 1.00 0.00 C +ATOM 84 CA PRO A 84 255.529 233.835 250.824 1.00 0.00 C +ATOM 85 CA ILE A 85 256.787 234.552 254.348 1.00 0.00 C +ATOM 86 CA LEU A 86 258.407 235.695 257.601 1.00 0.00 C +ATOM 87 CA HIS A 87 258.671 235.384 261.390 1.00 0.00 C +ATOM 88 CA HIS A 88 256.479 237.570 263.611 1.00 0.00 C +ATOM 89 CA ARG A 89 255.666 241.283 263.348 1.00 0.00 C +ATOM 90 CA TYR A 90 253.523 244.234 262.247 1.00 0.00 C +ATOM 91 CA ARG A 91 253.786 248.003 262.741 1.00 0.00 C +ATOM 92 CA ASN A 92 252.521 251.039 260.817 1.00 0.00 C +ATOM 93 CA HIS A 93 249.989 249.991 258.169 1.00 0.00 C +ATOM 94 CA ARG A 94 251.618 248.033 255.336 1.00 0.00 C +ATOM 95 CA PRO A 95 254.582 245.852 256.323 1.00 0.00 C +ATOM 96 CA ARG A 96 256.797 244.767 253.419 1.00 0.00 C +ATOM 97 CA GLU A 97 256.657 240.981 253.012 1.00 0.00 C +ATOM 98 CA LEU A 98 260.009 239.301 252.335 1.00 0.00 C +ATOM 99 CA SER A 99 262.613 236.546 252.721 1.00 0.00 C +ATOM 100 CA ARG A 100 265.851 234.797 251.736 1.00 0.00 C +ATOM 101 CA LEU A 101 268.595 233.399 253.979 1.00 0.00 C +ATOM 102 CA PRO A 102 269.505 230.134 255.719 1.00 0.00 C +ATOM 103 CA ASN A 103 272.057 228.139 257.725 1.00 0.00 C +ATOM 104 CA HIS A 104 274.015 225.060 256.629 1.00 0.00 C +ATOM 105 CA LEU A 105 272.129 221.754 256.806 1.00 0.00 C +ATOM 106 CA THR A 106 271.669 219.528 253.749 1.00 0.00 C +ATOM 107 CA THR A 107 271.884 220.941 250.217 1.00 0.00 C +TER 108 THR A 107 +END diff --git a/Fungi/A0A8H3QR98/A0A8H3QR98.dcd b/Fungi/A0A8H3QR98/A0A8H3QR98.dcd new file mode 100644 index 0000000000000000000000000000000000000000..5adba041c54c5514eea7cd75c85837eef1c30d25 --- /dev/null +++ b/Fungi/A0A8H3QR98/A0A8H3QR98.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b048866591281b2cb7e2fb60cac55271b6b2acf02f49b2ef5a6b783c98ab7cfc +size 20720276 diff --git a/Fungi/A0A8H3QR98/top.pdb b/Fungi/A0A8H3QR98/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..bcaa2e497753a1abb1f0b1860f52737d24670f01 --- /dev/null +++ b/Fungi/A0A8H3QR98/top.pdb @@ -0,0 +1,170 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 264.613 247.501 225.174 1.00 0.00 C +ATOM 2 CA THR A 2 261.955 249.979 226.319 1.00 0.00 C +ATOM 3 CA LYS A 3 261.174 253.527 227.468 1.00 0.00 C +ATOM 4 CA ARG A 4 261.147 255.936 230.419 1.00 0.00 C +ATOM 5 CA ARG A 5 259.614 254.239 233.467 1.00 0.00 C +ATOM 6 CA GLY A 6 261.635 253.328 236.565 1.00 0.00 C +ATOM 7 CA VAL A 7 262.154 256.485 238.635 1.00 0.00 C +ATOM 8 CA THR A 8 263.551 259.443 236.682 1.00 0.00 C +ATOM 9 CA GLU A 9 266.074 260.530 234.042 1.00 0.00 C +ATOM 10 CA LYS A 10 267.080 264.196 233.780 1.00 0.00 C +ATOM 11 CA ASP A 11 266.811 267.996 233.749 1.00 0.00 C +ATOM 12 CA LYS A 12 265.639 271.441 234.878 1.00 0.00 C +ATOM 13 CA ALA A 13 264.542 271.391 238.527 1.00 0.00 C +ATOM 14 CA THR A 14 262.391 274.403 239.433 1.00 0.00 C +ATOM 15 CA LYS A 15 263.448 277.877 238.280 1.00 0.00 C +ATOM 16 CA ALA A 16 266.312 279.935 239.722 1.00 0.00 C +ATOM 17 CA ALA A 17 265.150 281.399 243.042 1.00 0.00 C +ATOM 18 CA LYS A 18 265.510 284.687 244.933 1.00 0.00 C +ATOM 19 CA THR A 19 262.764 286.020 247.213 1.00 0.00 C +ATOM 20 CA THR A 20 261.519 283.474 249.759 1.00 0.00 C +ATOM 21 CA LYS A 21 262.741 279.868 249.614 1.00 0.00 C +ATOM 22 CA THR A 22 266.503 279.655 250.179 1.00 0.00 C +ATOM 23 CA ILE A 23 268.452 282.924 250.018 1.00 0.00 C +ATOM 24 CA ARG A 24 271.623 284.377 248.483 1.00 0.00 C +ATOM 25 CA THR A 25 273.345 284.240 245.088 1.00 0.00 C +ATOM 26 CA TYR A 26 277.090 284.070 244.408 1.00 0.00 C +ATOM 27 CA VAL A 27 280.303 285.244 242.729 1.00 0.00 C +ATOM 28 CA ALA A 28 282.035 285.333 239.337 1.00 0.00 C +ATOM 29 CA ASN A 29 283.152 282.011 237.844 1.00 0.00 C +ATOM 30 CA SER A 30 282.515 279.188 235.366 1.00 0.00 C +ATOM 31 CA SER A 31 279.517 276.838 235.345 1.00 0.00 C +ATOM 32 CA HIS A 32 278.412 273.550 233.767 1.00 0.00 C +ATOM 33 CA ASP A 33 280.408 271.273 231.456 1.00 0.00 C +ATOM 34 CA TYR A 34 281.683 267.687 231.264 1.00 0.00 C +ATOM 35 CA ASN A 35 285.209 266.247 231.190 1.00 0.00 C +ATOM 36 CA LYS A 36 286.008 264.476 234.467 1.00 0.00 C +ATOM 37 CA GLU A 37 288.236 263.542 237.414 1.00 0.00 C +ATOM 38 CA ARG A 38 286.973 263.122 240.984 1.00 0.00 C +ATOM 39 CA ASP A 39 287.328 260.121 243.305 1.00 0.00 C +ATOM 40 CA GLU A 40 290.862 258.748 242.930 1.00 0.00 C +ATOM 41 CA ARG A 41 290.872 255.226 241.477 1.00 0.00 C +ATOM 42 CA ARG A 42 293.935 254.402 239.366 1.00 0.00 C +ATOM 43 CA GLU A 43 295.180 254.414 235.765 1.00 0.00 C +ATOM 44 CA GLU A 44 294.532 254.987 232.055 1.00 0.00 C +ATOM 45 CA GLY A 45 293.800 255.167 228.320 1.00 0.00 C +ATOM 46 CA SER A 46 292.523 258.349 226.659 1.00 0.00 C +ATOM 47 CA GLU A 47 289.090 257.606 225.182 1.00 0.00 C +ATOM 48 CA HIS A 48 285.439 257.577 226.271 1.00 0.00 C +ATOM 49 CA GLU A 49 284.150 258.205 229.801 1.00 0.00 C +ATOM 50 CA GLN A 50 287.158 258.714 232.083 1.00 0.00 C +ATOM 51 CA ASP A 51 289.452 257.422 234.838 1.00 0.00 C +ATOM 52 CA ASN A 52 288.002 254.176 236.208 1.00 0.00 C +ATOM 53 CA LEU A 53 284.512 252.742 236.734 1.00 0.00 C +ATOM 54 CA HIS A 54 282.735 250.531 234.190 1.00 0.00 C +ATOM 55 CA GLY A 55 281.592 246.937 234.727 1.00 0.00 C +ATOM 56 CA GLN A 56 279.098 245.412 237.170 1.00 0.00 C +ATOM 57 CA ASP A 57 276.997 242.721 238.862 1.00 0.00 C +ATOM 58 CA VAL A 58 275.750 244.096 242.188 1.00 0.00 C +ATOM 59 CA ASP A 59 272.082 244.128 243.220 1.00 0.00 C +ATOM 60 CA ILE A 60 269.678 241.689 241.550 1.00 0.00 C +ATOM 61 CA GLY A 61 269.581 238.878 238.979 1.00 0.00 C +ATOM 62 CA GLU A 62 266.256 237.238 238.103 1.00 0.00 C +ATOM 63 CA GLY A 63 263.131 235.434 239.327 1.00 0.00 C +ATOM 64 CA ASN A 64 261.012 238.143 240.967 1.00 0.00 C +ATOM 65 CA ASN A 65 259.348 239.178 244.234 1.00 0.00 C +ATOM 66 CA ARG A 66 261.027 240.949 247.160 1.00 0.00 C +ATOM 67 CA GLN A 67 263.293 239.727 249.968 1.00 0.00 C +ATOM 68 CA ASP A 68 264.503 236.800 252.087 1.00 0.00 C +ATOM 69 CA ASP A 69 263.139 236.553 255.635 1.00 0.00 C +ATOM 70 CA ASP A 70 265.330 234.579 258.047 1.00 0.00 C +ATOM 71 CA ILE A 71 264.386 232.832 261.299 1.00 0.00 C +ATOM 72 CA GLU A 72 262.677 235.126 263.815 1.00 0.00 C +ATOM 73 CA ARG A 73 258.940 235.542 263.200 1.00 0.00 C +ATOM 74 CA ILE A 74 255.770 233.992 261.764 1.00 0.00 C +ATOM 75 CA ILE A 75 252.468 232.744 260.330 1.00 0.00 C +ATOM 76 CA LEU A 76 250.779 229.357 259.896 1.00 0.00 C +ATOM 77 CA ASP A 77 251.600 226.888 262.680 1.00 0.00 C +ATOM 78 CA MET A 78 254.615 225.000 264.045 1.00 0.00 C +ATOM 79 CA LEU A 79 258.285 224.996 265.067 1.00 0.00 C +ATOM 80 CA PRO A 80 260.427 225.690 268.141 1.00 0.00 C +ATOM 81 CA GLU A 81 260.545 223.549 271.290 1.00 0.00 C +ATOM 82 CA GLN A 82 261.462 220.002 270.246 1.00 0.00 C +ATOM 83 CA GLU A 83 263.490 216.787 269.982 1.00 0.00 C +ATOM 84 CA GLU A 84 262.448 213.152 270.451 1.00 0.00 C +ATOM 85 CA ARG A 85 258.705 212.446 270.502 1.00 0.00 C +ATOM 86 CA ASN A 86 255.058 212.742 269.439 1.00 0.00 C +ATOM 87 CA ILE A 87 251.377 213.124 268.534 1.00 0.00 C +ATOM 88 CA GLU A 88 251.057 216.662 267.158 1.00 0.00 C +ATOM 89 CA LYS A 89 253.333 219.698 266.814 1.00 0.00 C +ATOM 90 CA GLU A 90 254.826 222.055 269.409 1.00 0.00 C +ATOM 91 CA ARG A 91 252.150 224.504 270.576 1.00 0.00 C +ATOM 92 CA ARG A 92 249.557 227.108 269.574 1.00 0.00 C +ATOM 93 CA GLU A 93 248.447 229.089 272.633 1.00 0.00 C +ATOM 94 CA ASN A 94 245.818 228.278 275.269 1.00 0.00 C +ATOM 95 CA LYS A 95 243.725 228.439 278.448 1.00 0.00 C +ATOM 96 CA LYS A 96 240.128 227.392 277.753 1.00 0.00 C +ATOM 97 CA LYS A 97 237.176 227.866 275.391 1.00 0.00 C +ATOM 98 CA GLU A 98 237.491 228.062 271.599 1.00 0.00 C +ATOM 99 CA MET A 99 240.035 230.166 269.698 1.00 0.00 C +ATOM 100 CA GLU A 100 239.397 230.546 265.961 1.00 0.00 C +ATOM 101 CA LYS A 101 237.571 228.370 263.421 1.00 0.00 C +ATOM 102 CA ARG A 102 236.673 225.384 261.232 1.00 0.00 C +ATOM 103 CA ASP A 103 233.361 225.585 259.358 1.00 0.00 C +ATOM 104 CA LYS A 104 229.765 226.208 258.267 1.00 0.00 C +ATOM 105 CA GLU A 105 227.187 228.447 259.957 1.00 0.00 C +ATOM 106 CA ARG A 106 223.653 229.042 261.251 1.00 0.00 C +ATOM 107 CA ARG A 107 222.252 230.612 264.427 1.00 0.00 C +ATOM 108 CA GLU A 108 219.468 233.210 264.558 1.00 0.00 C +ATOM 109 CA LYS A 109 219.134 236.863 263.529 1.00 0.00 C +ATOM 110 CA GLU A 110 220.728 240.255 262.844 1.00 0.00 C +ATOM 111 CA ARG A 111 223.156 242.812 264.288 1.00 0.00 C +ATOM 112 CA ARG A 112 226.234 243.377 266.461 1.00 0.00 C +ATOM 113 CA GLU A 113 225.996 244.567 270.073 1.00 0.00 C +ATOM 114 CA LYS A 114 223.950 246.440 272.685 1.00 0.00 C +ATOM 115 CA GLU A 115 224.162 250.095 271.629 1.00 0.00 C +ATOM 116 CA ARG A 116 223.234 250.944 268.032 1.00 0.00 C +ATOM 117 CA ARG A 117 224.918 253.736 266.061 1.00 0.00 C +ATOM 118 CA GLU A 118 225.661 253.596 262.327 1.00 0.00 C +ATOM 119 CA LYS A 119 225.088 250.834 259.766 1.00 0.00 C +ATOM 120 CA GLU A 120 225.911 247.141 260.216 1.00 0.00 C +ATOM 121 CA ARG A 121 229.037 245.665 258.615 1.00 0.00 C +ATOM 122 CA ARG A 122 231.422 243.220 256.927 1.00 0.00 C +ATOM 123 CA GLU A 123 232.973 240.297 255.037 1.00 0.00 C +ATOM 124 CA LYS A 124 235.103 240.465 251.883 1.00 0.00 C +ATOM 125 CA GLU A 125 234.031 243.582 249.973 1.00 0.00 C +ATOM 126 CA ARG A 126 233.933 247.075 248.454 1.00 0.00 C +ATOM 127 CA ARG A 127 235.588 250.266 247.192 1.00 0.00 C +ATOM 128 CA GLU A 128 233.145 253.153 247.655 1.00 0.00 C +ATOM 129 CA LYS A 129 230.164 252.566 245.355 1.00 0.00 C +ATOM 130 CA GLU A 130 228.350 253.917 242.289 1.00 0.00 C +ATOM 131 CA ARG A 131 227.825 257.220 240.466 1.00 0.00 C +ATOM 132 CA ARG A 132 224.630 259.287 240.269 1.00 0.00 C +ATOM 133 CA GLU A 133 221.468 258.559 242.266 1.00 0.00 C +ATOM 134 CA ARG A 134 219.229 261.399 243.467 1.00 0.00 C +ATOM 135 CA ASP A 135 216.619 263.914 244.639 1.00 0.00 C +ATOM 136 CA ARG A 136 213.840 266.211 243.406 1.00 0.00 C +ATOM 137 CA ARG A 137 210.476 266.685 245.131 1.00 0.00 C +ATOM 138 CA GLU A 138 208.337 265.554 248.074 1.00 0.00 C +ATOM 139 CA LYS A 139 210.343 263.603 250.660 1.00 0.00 C +ATOM 140 CA ASP A 140 209.765 260.186 252.243 1.00 0.00 C +ATOM 141 CA LYS A 141 208.849 257.677 254.961 1.00 0.00 C +ATOM 142 CA GLU A 142 209.161 254.690 257.305 1.00 0.00 C +ATOM 143 CA GLN A 143 208.618 252.203 260.140 1.00 0.00 C +ATOM 144 CA GLU A 144 209.270 251.835 263.876 1.00 0.00 C +ATOM 145 CA GLU A 145 212.943 252.676 264.435 1.00 0.00 C +ATOM 146 CA ASN A 146 216.528 253.888 263.989 1.00 0.00 C +ATOM 147 CA GLU A 147 219.825 255.259 262.660 1.00 0.00 C +ATOM 148 CA ASN A 148 219.108 256.086 259.011 1.00 0.00 C +ATOM 149 CA ASP A 149 221.963 257.634 257.019 1.00 0.00 C +ATOM 150 CA GLU A 150 225.565 258.572 257.832 1.00 0.00 C +ATOM 151 CA SER A 151 228.766 260.604 258.213 1.00 0.00 C +ATOM 152 CA LYS A 152 232.029 258.935 259.253 1.00 0.00 C +ATOM 153 CA SER A 153 234.569 257.731 256.681 1.00 0.00 C +ATOM 154 CA GLU A 154 232.914 255.358 254.201 1.00 0.00 C +ATOM 155 CA GLU A 155 230.159 252.765 253.754 1.00 0.00 C +ATOM 156 CA GLU A 156 226.841 251.003 253.120 1.00 0.00 C +ATOM 157 CA ILE A 157 223.351 250.412 251.710 1.00 0.00 C +ATOM 158 CA PRO A 158 223.175 250.996 247.949 1.00 0.00 C +ATOM 159 CA VAL A 159 220.867 253.130 245.796 1.00 0.00 C +ATOM 160 CA GLN A 160 219.193 251.667 242.702 1.00 0.00 C +ATOM 161 CA PHE A 161 218.318 251.785 238.996 1.00 0.00 C +ATOM 162 CA GLY A 162 216.576 253.334 235.982 1.00 0.00 C +ATOM 163 CA ALA A 163 214.631 252.900 232.735 1.00 0.00 C +ATOM 164 CA MET A 164 212.286 255.647 231.521 1.00 0.00 C +ATOM 165 CA THR A 165 212.733 256.371 227.808 1.00 0.00 C +ATOM 166 CA ASN A 166 212.532 254.387 224.561 1.00 0.00 C +TER 167 ASN A 166 +END diff --git a/Fungi/A0A8H4ANR5/A0A8H4ANR5.dcd b/Fungi/A0A8H4ANR5/A0A8H4ANR5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..464c3538a015a5eb90a7248f7a51ad5d154b1df4 --- /dev/null +++ b/Fungi/A0A8H4ANR5/A0A8H4ANR5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0e04e8797de50c4b70cf5b46959a847bba62cc913bca85a658360f7b7a1d0cfb +size 13880276 diff --git a/Fungi/A0A8H4ANR5/top.pdb b/Fungi/A0A8H4ANR5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..6365f176d645ecee5badb10cbf2262b96dc0caa4 --- /dev/null +++ b/Fungi/A0A8H4ANR5/top.pdb @@ -0,0 +1,113 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 298.224 296.430 280.060 1.00 0.00 C +ATOM 2 CA LYS A 2 298.749 292.849 281.250 1.00 0.00 C +ATOM 3 CA GLN A 3 297.291 289.437 282.116 1.00 0.00 C +ATOM 4 CA ALA A 4 297.032 285.646 282.399 1.00 0.00 C +ATOM 5 CA LYS A 5 296.440 283.999 279.015 1.00 0.00 C +ATOM 6 CA LYS A 6 296.432 280.274 278.210 1.00 0.00 C +ATOM 7 CA SER A 7 292.877 279.355 277.195 1.00 0.00 C +ATOM 8 CA LEU A 8 290.200 278.211 274.736 1.00 0.00 C +ATOM 9 CA ALA A 9 287.764 280.845 273.454 1.00 0.00 C +ATOM 10 CA LYS A 10 285.363 281.134 270.510 1.00 0.00 C +ATOM 11 CA LYS A 11 282.848 282.419 267.952 1.00 0.00 C +ATOM 12 CA PRO A 12 282.022 285.559 265.959 1.00 0.00 C +ATOM 13 CA SER A 13 283.958 285.282 262.690 1.00 0.00 C +ATOM 14 CA PRO A 14 287.063 283.713 261.137 1.00 0.00 C +ATOM 15 CA SER A 15 287.138 280.105 259.916 1.00 0.00 C +ATOM 16 CA LYS A 16 289.389 277.128 260.684 1.00 0.00 C +ATOM 17 CA GLU A 17 288.505 273.630 259.459 1.00 0.00 C +ATOM 18 CA LYS A 18 285.653 271.229 260.239 1.00 0.00 C +ATOM 19 CA ALA A 19 284.570 269.778 256.887 1.00 0.00 C +ATOM 20 CA ASP A 20 284.781 272.197 253.951 1.00 0.00 C +ATOM 21 CA LYS A 21 281.881 272.247 251.480 1.00 0.00 C +ATOM 22 CA ILE A 22 279.173 274.776 252.365 1.00 0.00 C +ATOM 23 CA HIS A 23 276.363 276.013 254.621 1.00 0.00 C +ATOM 24 CA LEU A 24 273.991 273.159 255.483 1.00 0.00 C +ATOM 25 CA ASP A 25 271.243 270.840 254.223 1.00 0.00 C +ATOM 26 CA ARG A 26 269.338 267.617 253.514 1.00 0.00 C +ATOM 27 CA PHE A 27 270.274 264.565 255.593 1.00 0.00 C +ATOM 28 CA LEU A 28 269.345 261.167 254.141 1.00 0.00 C +ATOM 29 CA ASN A 29 270.568 259.808 250.798 1.00 0.00 C +ATOM 30 CA ASP A 30 273.305 258.109 248.763 1.00 0.00 C +ATOM 31 CA LEU A 31 274.576 255.910 245.923 1.00 0.00 C +ATOM 32 CA VAL A 32 273.385 252.464 244.817 1.00 0.00 C +ATOM 33 CA LYS A 33 269.760 251.294 244.896 1.00 0.00 C +ATOM 34 CA ASP A 34 266.917 251.986 247.336 1.00 0.00 C +ATOM 35 CA GLU A 35 266.605 249.488 250.195 1.00 0.00 C +ATOM 36 CA PRO A 36 263.910 249.642 252.884 1.00 0.00 C +ATOM 37 CA ASP A 37 261.786 251.955 255.042 1.00 0.00 C +ATOM 38 CA PRO A 38 258.126 252.496 255.952 1.00 0.00 C +ATOM 39 CA ASP A 39 255.486 253.439 258.532 1.00 0.00 C +ATOM 40 CA PRO A 40 253.299 250.834 260.249 1.00 0.00 C +ATOM 41 CA ASN A 41 251.563 247.461 260.608 1.00 0.00 C +ATOM 42 CA SER A 42 250.725 244.592 258.246 1.00 0.00 C +ATOM 43 CA PHE A 43 249.428 243.613 254.800 1.00 0.00 C +ATOM 44 CA TYR A 44 251.207 242.209 251.737 1.00 0.00 C +ATOM 45 CA GLU A 45 249.343 239.520 249.785 1.00 0.00 C +ATOM 46 CA ASP A 46 249.129 235.828 248.870 1.00 0.00 C +ATOM 47 CA ASP A 47 246.355 233.412 249.861 1.00 0.00 C +ATOM 48 CA ASP A 48 242.993 233.120 248.091 1.00 0.00 C +ATOM 49 CA PRO A 49 239.912 230.897 247.806 1.00 0.00 C +ATOM 50 CA ILE A 50 237.576 227.997 246.999 1.00 0.00 C +ATOM 51 CA GLU A 51 235.028 227.673 244.185 1.00 0.00 C +ATOM 52 CA ASP A 52 235.032 230.508 241.639 1.00 0.00 C +ATOM 53 CA ILE A 53 237.647 232.578 239.796 1.00 0.00 C +ATOM 54 CA TYR A 54 240.733 233.617 241.775 1.00 0.00 C +ATOM 55 CA SER A 55 243.594 235.730 240.410 1.00 0.00 C +ATOM 56 CA SER A 56 244.800 239.198 241.429 1.00 0.00 C +ATOM 57 CA ASP A 57 247.421 240.001 244.075 1.00 0.00 C +ATOM 58 CA SER A 58 251.176 240.639 243.982 1.00 0.00 C +ATOM 59 CA GLU A 59 254.430 242.619 244.084 1.00 0.00 C +ATOM 60 CA ASN A 60 255.924 245.844 245.458 1.00 0.00 C +ATOM 61 CA ASP A 61 254.587 249.178 246.727 1.00 0.00 C +ATOM 62 CA THR A 62 254.683 252.088 244.269 1.00 0.00 C +ATOM 63 CA THR A 63 257.279 253.525 241.880 1.00 0.00 C +ATOM 64 CA SER A 64 259.575 250.677 240.814 1.00 0.00 C +ATOM 65 CA SER A 65 259.166 248.801 237.523 1.00 0.00 C +ATOM 66 CA GLU A 66 256.618 245.993 237.154 1.00 0.00 C +ATOM 67 CA ASN A 67 253.829 244.248 235.232 1.00 0.00 C +ATOM 68 CA GLU A 68 250.622 245.323 236.987 1.00 0.00 C +ATOM 69 CA LEU A 69 246.840 245.384 236.531 1.00 0.00 C +ATOM 70 CA GLU A 70 244.251 245.909 239.277 1.00 0.00 C +ATOM 71 CA THR A 71 240.955 244.222 238.378 1.00 0.00 C +ATOM 72 CA ASN A 72 237.501 242.683 238.844 1.00 0.00 C +ATOM 73 CA THR A 73 236.093 240.339 241.497 1.00 0.00 C +ATOM 74 CA LEU A 74 236.754 238.464 244.747 1.00 0.00 C +ATOM 75 CA SER A 75 237.256 239.836 248.266 1.00 0.00 C +ATOM 76 CA TYR A 76 234.911 238.730 251.058 1.00 0.00 C +ATOM 77 CA SER A 77 232.063 241.249 251.289 1.00 0.00 C +ATOM 78 CA GLN A 78 228.475 241.909 250.189 1.00 0.00 C +ATOM 79 CA SER A 79 225.293 241.105 252.123 1.00 0.00 C +ATOM 80 CA LYS A 80 222.712 238.542 250.988 1.00 0.00 C +ATOM 81 CA PRO A 81 220.486 237.805 247.986 1.00 0.00 C +ATOM 82 CA GLY A 82 218.440 238.842 244.943 1.00 0.00 C +ATOM 83 CA SER A 83 216.173 241.666 246.128 1.00 0.00 C +ATOM 84 CA SER A 84 214.205 242.180 249.349 1.00 0.00 C +ATOM 85 CA LYS A 85 215.946 242.439 252.728 1.00 0.00 C +ATOM 86 CA SER A 86 217.168 239.109 254.116 1.00 0.00 C +ATOM 87 CA SER A 87 214.813 236.395 252.849 1.00 0.00 C +ATOM 88 CA GLU A 88 212.516 233.569 251.731 1.00 0.00 C +ATOM 89 CA ASN A 89 213.071 230.462 253.865 1.00 0.00 C +ATOM 90 CA GLU A 90 214.461 231.262 257.321 1.00 0.00 C +ATOM 91 CA SER A 91 216.508 232.524 260.276 1.00 0.00 C +ATOM 92 CA SER A 92 219.953 234.135 260.036 1.00 0.00 C +ATOM 93 CA SER A 93 222.455 232.744 257.522 1.00 0.00 C +ATOM 94 CA SER A 94 221.526 233.018 253.837 1.00 0.00 C +ATOM 95 CA GLU A 95 221.206 231.837 250.229 1.00 0.00 C +ATOM 96 CA SER A 96 221.065 229.583 247.160 1.00 0.00 C +ATOM 97 CA ASP A 97 220.446 230.579 243.535 1.00 0.00 C +ATOM 98 CA LEU A 98 221.045 233.277 240.912 1.00 0.00 C +ATOM 99 CA ASP A 99 222.465 232.177 237.552 1.00 0.00 C +ATOM 100 CA GLU A 100 222.980 230.930 233.989 1.00 0.00 C +ATOM 101 CA TYR A 101 220.831 232.240 231.128 1.00 0.00 C +ATOM 102 CA GLU A 102 221.414 234.531 228.139 1.00 0.00 C +ATOM 103 CA VAL A 103 218.062 235.393 226.546 1.00 0.00 C +ATOM 104 CA ASN A 104 216.839 235.611 222.945 1.00 0.00 C +ATOM 105 CA ALA A 105 214.375 233.136 221.420 1.00 0.00 C +ATOM 106 CA THR A 106 212.972 230.141 219.530 1.00 0.00 C +ATOM 107 CA LYS A 107 209.370 230.512 218.344 1.00 0.00 C +ATOM 108 CA LYS A 108 206.775 230.651 221.130 1.00 0.00 C +ATOM 109 CA LYS A 109 203.327 230.960 222.723 1.00 0.00 C +TER 110 LYS A 109 +END diff --git a/Fungi/A0A8H4B494/A0A8H4B494.dcd b/Fungi/A0A8H4B494/A0A8H4B494.dcd new file mode 100644 index 0000000000000000000000000000000000000000..7d2e4dbb80a2e4e4dd6ddb7a46025c76da5fa9da --- /dev/null +++ b/Fungi/A0A8H4B494/A0A8H4B494.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1b40cbbb789c76e47323bbc8e15b862d5d97f35eb3e286c7b3578a5ef5511d30 +size 10640276 diff --git a/Fungi/A0A8H4B494/top.pdb b/Fungi/A0A8H4B494/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c8b30812f9ff2e694781aed9d14ab852433258ca --- /dev/null +++ b/Fungi/A0A8H4B494/top.pdb @@ -0,0 +1,86 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 267.952 270.644 236.930 1.00 0.00 C +ATOM 2 CA LEU A 2 265.586 272.640 239.151 1.00 0.00 C +ATOM 3 CA LYS A 3 264.927 274.386 242.473 1.00 0.00 C +ATOM 4 CA GLY A 4 262.582 276.890 244.131 1.00 0.00 C +ATOM 5 CA ASN A 5 258.876 277.023 245.002 1.00 0.00 C +ATOM 6 CA PRO A 6 255.732 278.957 244.058 1.00 0.00 C +ATOM 7 CA GLU A 7 253.650 277.651 241.146 1.00 0.00 C +ATOM 8 CA ASN A 8 254.155 279.359 237.778 1.00 0.00 C +ATOM 9 CA ALA A 9 251.994 279.068 234.654 1.00 0.00 C +ATOM 10 CA LYS A 10 249.017 280.308 232.624 1.00 0.00 C +ATOM 11 CA ASP A 11 247.097 283.362 231.398 1.00 0.00 C +ATOM 12 CA ASN A 12 244.244 283.366 228.873 1.00 0.00 C +ATOM 13 CA ASN A 13 240.965 281.860 230.093 1.00 0.00 C +ATOM 14 CA VAL A 14 237.970 282.883 232.215 1.00 0.00 C +ATOM 15 CA ASP A 15 237.964 285.202 235.238 1.00 0.00 C +ATOM 16 CA SER A 16 234.942 284.066 237.260 1.00 0.00 C +ATOM 17 CA ALA A 17 231.381 283.878 238.603 1.00 0.00 C +ATOM 18 CA GLU A 18 230.776 284.661 242.282 1.00 0.00 C +ATOM 19 CA ASN A 19 228.230 282.458 244.066 1.00 0.00 C +ATOM 20 CA VAL A 20 224.974 281.388 245.730 1.00 0.00 C +ATOM 21 CA GLU A 21 222.503 279.858 248.193 1.00 0.00 C +ATOM 22 CA ASP A 22 223.145 279.784 251.948 1.00 0.00 C +ATOM 23 CA ASP A 23 226.526 278.201 252.713 1.00 0.00 C +ATOM 24 CA SER A 24 228.363 274.864 252.783 1.00 0.00 C +ATOM 25 CA VAL A 25 231.996 275.467 253.763 1.00 0.00 C +ATOM 26 CA ASN A 26 232.651 275.790 257.502 1.00 0.00 C +ATOM 27 CA ASN A 27 230.837 273.947 260.300 1.00 0.00 C +ATOM 28 CA VAL A 28 231.448 271.006 262.644 1.00 0.00 C +ATOM 29 CA LYS A 29 230.030 267.474 262.467 1.00 0.00 C +ATOM 30 CA ASP A 30 228.454 265.221 259.830 1.00 0.00 C +ATOM 31 CA TYR A 31 227.311 262.105 257.958 1.00 0.00 C +ATOM 32 CA GLN A 32 226.925 260.389 254.579 1.00 0.00 C +ATOM 33 CA LEU A 33 229.785 257.969 253.883 1.00 0.00 C +ATOM 34 CA LYS A 34 230.940 254.491 254.926 1.00 0.00 C +ATOM 35 CA THR A 35 234.240 253.743 253.174 1.00 0.00 C +ATOM 36 CA GLU A 36 235.751 253.622 249.679 1.00 0.00 C +ATOM 37 CA GLU A 37 237.476 250.269 249.133 1.00 0.00 C +ATOM 38 CA SER A 38 237.666 247.659 251.902 1.00 0.00 C +ATOM 39 CA VAL A 39 236.332 248.231 255.425 1.00 0.00 C +ATOM 40 CA GLN A 40 237.468 247.287 258.937 1.00 0.00 C +ATOM 41 CA ASP A 41 237.441 244.209 261.182 1.00 0.00 C +ATOM 42 CA ASN A 42 237.822 241.291 258.762 1.00 0.00 C +ATOM 43 CA GLN A 43 240.466 239.627 256.582 1.00 0.00 C +ATOM 44 CA ASN A 44 244.113 238.536 256.418 1.00 0.00 C +ATOM 45 CA SER A 45 244.875 236.895 253.065 1.00 0.00 C +ATOM 46 CA GLU A 46 244.005 237.015 249.357 1.00 0.00 C +ATOM 47 CA THR A 47 243.786 239.253 246.281 1.00 0.00 C +ATOM 48 CA ASN A 48 241.204 237.773 243.902 1.00 0.00 C +ATOM 49 CA ILE A 49 240.001 234.169 244.180 1.00 0.00 C +ATOM 50 CA GLU A 50 242.584 232.055 242.342 1.00 0.00 C +ATOM 51 CA GLY A 51 246.345 232.419 241.851 1.00 0.00 C +ATOM 52 CA LYS A 52 249.200 230.178 240.693 1.00 0.00 C +ATOM 53 CA LYS A 53 249.996 226.769 242.197 1.00 0.00 C +ATOM 54 CA SER A 54 250.056 224.963 245.551 1.00 0.00 C +ATOM 55 CA SER A 55 248.816 225.805 249.054 1.00 0.00 C +ATOM 56 CA GLY A 56 250.316 227.606 252.057 1.00 0.00 C +ATOM 57 CA LYS A 57 250.995 228.665 255.653 1.00 0.00 C +ATOM 58 CA ASP A 58 250.322 232.151 257.038 1.00 0.00 C +ATOM 59 CA LYS A 59 253.525 234.214 256.984 1.00 0.00 C +ATOM 60 CA LYS A 60 256.680 234.605 254.884 1.00 0.00 C +ATOM 61 CA LEU A 61 260.304 235.763 254.677 1.00 0.00 C +ATOM 62 CA SER A 62 263.230 235.469 257.099 1.00 0.00 C +ATOM 63 CA THR A 63 264.444 231.872 257.422 1.00 0.00 C +ATOM 64 CA ARG A 64 265.777 230.340 260.646 1.00 0.00 C +ATOM 65 CA VAL A 65 268.421 230.985 263.312 1.00 0.00 C +ATOM 66 CA MET A 66 271.873 231.942 262.014 1.00 0.00 C +ATOM 67 CA ARG A 67 275.527 230.983 261.521 1.00 0.00 C +ATOM 68 CA ASN A 68 277.558 228.150 259.981 1.00 0.00 C +ATOM 69 CA SER A 69 280.764 226.105 260.216 1.00 0.00 C +ATOM 70 CA LYS A 70 283.015 223.178 259.279 1.00 0.00 C +ATOM 71 CA LYS A 71 282.990 219.604 257.957 1.00 0.00 C +ATOM 72 CA VAL A 72 281.432 216.602 256.204 1.00 0.00 C +ATOM 73 CA ASN A 73 278.811 215.876 253.536 1.00 0.00 C +ATOM 74 CA TYR A 74 275.162 214.798 253.326 1.00 0.00 C +ATOM 75 CA SER A 75 272.008 214.203 255.378 1.00 0.00 C +ATOM 76 CA PRO A 76 270.175 217.226 256.800 1.00 0.00 C +ATOM 77 CA VAL A 77 268.523 219.657 254.376 1.00 0.00 C +ATOM 78 CA ASN A 78 270.629 222.368 252.724 1.00 0.00 C +ATOM 79 CA SER A 79 273.571 224.029 250.963 1.00 0.00 C +ATOM 80 CA ASP A 80 275.649 226.508 248.949 1.00 0.00 C +ATOM 81 CA ASN A 81 278.245 224.903 246.669 1.00 0.00 C +ATOM 82 CA GLU A 82 276.487 223.811 243.470 1.00 0.00 C +TER 83 GLU A 82 +END diff --git a/Fungi/A0A8H4H446/A0A8H4H446.dcd b/Fungi/A0A8H4H446/A0A8H4H446.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d80a237c2b57101bfcbbaf58b1f468800fc160ae --- /dev/null +++ b/Fungi/A0A8H4H446/A0A8H4H446.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:af48adf11a60d96c861804af710db269adcd5ee81424b109c7af0ab15a82a075 +size 13880276 diff --git a/Fungi/A0A8H4H446/top.pdb b/Fungi/A0A8H4H446/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..894ad9a36ea5d1bdab90b3554bfcc21542bc6f0f --- /dev/null +++ b/Fungi/A0A8H4H446/top.pdb @@ -0,0 +1,113 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 229.982 249.479 234.110 1.00 0.00 C +ATOM 2 CA THR A 2 231.848 248.139 231.071 1.00 0.00 C +ATOM 3 CA SER A 3 234.211 247.868 228.094 1.00 0.00 C +ATOM 4 CA ASN A 4 236.117 250.559 226.186 1.00 0.00 C +ATOM 5 CA TYR A 5 237.186 253.433 228.448 1.00 0.00 C +ATOM 6 CA ASN A 6 237.568 254.961 231.917 1.00 0.00 C +ATOM 7 CA LEU A 7 239.264 256.845 234.761 1.00 0.00 C +ATOM 8 CA ARG A 8 241.278 258.241 237.678 1.00 0.00 C +ATOM 9 CA ARG A 9 241.279 261.918 238.677 1.00 0.00 C +ATOM 10 CA GLY A 10 242.781 265.006 240.328 1.00 0.00 C +ATOM 11 CA ALA A 11 243.938 267.308 237.521 1.00 0.00 C +ATOM 12 CA ASN A 12 243.846 271.117 237.485 1.00 0.00 C +ATOM 13 CA PRO A 13 241.396 273.792 236.321 1.00 0.00 C +ATOM 14 CA ALA A 14 239.853 276.238 233.841 1.00 0.00 C +ATOM 15 CA GLN A 15 237.392 279.106 233.355 1.00 0.00 C +ATOM 16 CA ASP A 16 234.256 279.755 235.420 1.00 0.00 C +ATOM 17 CA GLN A 17 231.721 277.091 236.417 1.00 0.00 C +ATOM 18 CA ALA A 18 230.526 275.521 239.676 1.00 0.00 C +ATOM 19 CA GLY A 19 228.867 276.781 242.866 1.00 0.00 C +ATOM 20 CA ASN A 20 230.836 279.297 244.942 1.00 0.00 C +ATOM 21 CA GLN A 21 234.128 279.883 246.770 1.00 0.00 C +ATOM 22 CA ALA A 22 234.814 278.074 250.052 1.00 0.00 C +ATOM 23 CA GLN A 23 237.904 276.511 251.642 1.00 0.00 C +ATOM 24 CA ASP A 24 240.613 275.996 254.271 1.00 0.00 C +ATOM 25 CA GLN A 25 243.757 274.054 253.344 1.00 0.00 C +ATOM 26 CA ALA A 26 243.438 271.777 250.307 1.00 0.00 C +ATOM 27 CA GLN A 27 244.084 269.447 247.361 1.00 0.00 C +ATOM 28 CA ALA A 28 246.144 266.279 246.879 1.00 0.00 C +ATOM 29 CA GLY A 29 249.447 266.229 244.982 1.00 0.00 C +ATOM 30 CA GLY A 30 252.846 264.597 244.432 1.00 0.00 C +ATOM 31 CA LEU A 31 256.392 265.435 245.544 1.00 0.00 C +ATOM 32 CA ALA A 32 259.474 263.513 244.395 1.00 0.00 C +ATOM 33 CA GLY A 33 263.168 263.374 243.473 1.00 0.00 C +ATOM 34 CA GLN A 34 264.285 261.060 240.659 1.00 0.00 C +ATOM 35 CA PRO A 35 265.814 262.061 237.316 1.00 0.00 C +ATOM 36 CA ASP A 36 265.248 263.576 233.866 1.00 0.00 C +ATOM 37 CA LEU A 37 265.253 262.583 230.188 1.00 0.00 C +ATOM 38 CA GLN A 38 267.651 264.424 227.870 1.00 0.00 C +ATOM 39 CA SER A 39 268.455 265.661 224.357 1.00 0.00 C +ATOM 40 CA GLN A 40 269.417 269.313 224.863 1.00 0.00 C +ATOM 41 CA PRO A 41 270.254 271.549 227.832 1.00 0.00 C +ATOM 42 CA GLN A 42 270.805 270.602 231.481 1.00 0.00 C +ATOM 43 CA THR A 43 271.455 267.256 233.183 1.00 0.00 C +ATOM 44 CA ALA A 44 273.945 264.427 232.620 1.00 0.00 C +ATOM 45 CA PRO A 45 277.736 264.470 232.994 1.00 0.00 C +ATOM 46 CA GLY A 46 278.902 265.580 236.447 1.00 0.00 C +ATOM 47 CA LEU A 47 276.613 264.053 239.083 1.00 0.00 C +ATOM 48 CA GLN A 48 273.332 265.314 240.554 1.00 0.00 C +ATOM 49 CA ALA A 49 273.732 268.356 242.812 1.00 0.00 C +ATOM 50 CA GLN A 50 273.927 267.177 246.430 1.00 0.00 C +ATOM 51 CA THR A 51 275.679 266.628 249.768 1.00 0.00 C +ATOM 52 CA ASN A 52 274.183 266.551 253.271 1.00 0.00 C +ATOM 53 CA GLN A 53 270.759 265.311 254.389 1.00 0.00 C +ATOM 54 CA GLN A 54 267.771 267.347 253.188 1.00 0.00 C +ATOM 55 CA LYS A 55 264.559 269.089 252.110 1.00 0.00 C +ATOM 56 CA SER A 56 262.438 269.555 255.241 1.00 0.00 C +ATOM 57 CA GLN A 57 258.890 268.390 254.487 1.00 0.00 C +ATOM 58 CA GLU A 58 255.910 266.775 256.229 1.00 0.00 C +ATOM 59 CA SER A 59 252.754 267.937 258.018 1.00 0.00 C +ATOM 60 CA SER A 60 249.658 268.123 255.804 1.00 0.00 C +ATOM 61 CA PHE A 61 246.793 267.489 253.374 1.00 0.00 C +ATOM 62 CA GLN A 62 244.440 264.652 254.339 1.00 0.00 C +ATOM 63 CA SER A 63 242.522 262.088 256.403 1.00 0.00 C +ATOM 64 CA SER A 64 239.682 260.032 254.911 1.00 0.00 C +ATOM 65 CA GLU A 65 240.247 256.371 255.802 1.00 0.00 C +ATOM 66 CA SER A 66 239.396 252.815 256.873 1.00 0.00 C +ATOM 67 CA THR A 67 238.482 249.142 256.440 1.00 0.00 C +ATOM 68 CA LYS A 68 239.051 245.856 254.597 1.00 0.00 C +ATOM 69 CA GLN A 69 236.463 243.072 254.345 1.00 0.00 C +ATOM 70 CA THR A 70 236.707 239.280 254.617 1.00 0.00 C +ATOM 71 CA SER A 71 234.868 238.444 257.847 1.00 0.00 C +ATOM 72 CA SER A 72 235.456 236.200 260.870 1.00 0.00 C +ATOM 73 CA ASN A 73 237.793 237.226 263.699 1.00 0.00 C +ATOM 74 CA ASP A 74 241.592 237.162 263.414 1.00 0.00 C +ATOM 75 CA VAL A 75 243.632 235.640 260.579 1.00 0.00 C +ATOM 76 CA GLN A 76 245.903 235.548 257.521 1.00 0.00 C +ATOM 77 CA TRP A 77 249.553 235.303 256.458 1.00 0.00 C +ATOM 78 CA GLY A 78 250.196 231.642 255.624 1.00 0.00 C +ATOM 79 CA ASN A 79 253.677 230.791 256.918 1.00 0.00 C +ATOM 80 CA GLN A 80 255.009 227.924 254.792 1.00 0.00 C +ATOM 81 CA PRO A 81 258.803 227.855 255.125 1.00 0.00 C +ATOM 82 CA GLY A 82 261.316 227.287 257.932 1.00 0.00 C +ATOM 83 CA ASN A 83 260.324 225.987 261.374 1.00 0.00 C +ATOM 84 CA PHE A 84 256.749 225.549 262.617 1.00 0.00 C +ATOM 85 CA SER A 85 254.602 223.420 260.299 1.00 0.00 C +ATOM 86 CA ALA A 86 251.006 223.563 259.050 1.00 0.00 C +ATOM 87 CA SER A 87 248.504 225.658 261.016 1.00 0.00 C +ATOM 88 CA GLU A 88 245.215 226.762 259.441 1.00 0.00 C +ATOM 89 CA THR A 89 241.925 228.149 260.771 1.00 0.00 C +ATOM 90 CA ASN A 90 239.181 229.768 262.860 1.00 0.00 C +ATOM 91 CA PRO A 91 236.358 231.033 265.084 1.00 0.00 C +ATOM 92 CA LYS A 92 234.257 229.511 267.874 1.00 0.00 C +ATOM 93 CA PRO A 93 234.823 226.332 269.897 1.00 0.00 C +ATOM 94 CA SER A 94 237.041 226.186 272.991 1.00 0.00 C +ATOM 95 CA GLY A 95 240.355 225.777 274.826 1.00 0.00 C +ATOM 96 CA SER A 96 242.408 223.090 273.070 1.00 0.00 C +ATOM 97 CA TYR A 97 243.711 222.711 269.511 1.00 0.00 C +ATOM 98 CA HIS A 98 247.052 221.092 268.656 1.00 0.00 C +ATOM 99 CA LEU A 99 248.819 218.268 266.807 1.00 0.00 C +ATOM 100 CA THR A 100 248.235 214.685 265.649 1.00 0.00 C +ATOM 101 CA GLY A 101 250.693 211.795 265.303 1.00 0.00 C +ATOM 102 CA ASP A 102 254.501 211.882 265.229 1.00 0.00 C +ATOM 103 CA GLN A 103 257.884 212.231 263.512 1.00 0.00 C +ATOM 104 CA LEU A 104 259.573 208.817 263.415 1.00 0.00 C +ATOM 105 CA SER A 105 257.560 205.748 262.391 1.00 0.00 C +ATOM 106 CA HIS A 106 255.632 203.478 260.015 1.00 0.00 C +ATOM 107 CA PRO A 107 253.135 200.612 259.764 1.00 0.00 C +ATOM 108 CA GLN A 108 249.549 199.359 260.063 1.00 0.00 C +ATOM 109 CA GLU A 109 249.552 195.928 258.407 1.00 0.00 C +TER 110 GLU A 109 +END diff --git a/Fungi/A0A8H4JEF0/A0A8H4JEF0.dcd b/Fungi/A0A8H4JEF0/A0A8H4JEF0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c789c68765325b1d1813be27956abde3149de745 --- /dev/null +++ b/Fungi/A0A8H4JEF0/A0A8H4JEF0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8dc4b8c3490401418a1b8177f542acec1e739900d2ad29cbc3e9f25faa52e67e +size 19520276 diff --git a/Fungi/A0A8H4JEF0/top.pdb b/Fungi/A0A8H4JEF0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..cdec60183b74423e1494926ba45143515aed37f1 --- /dev/null +++ b/Fungi/A0A8H4JEF0/top.pdb @@ -0,0 +1,160 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 197.191 295.573 286.103 1.00 0.00 C +ATOM 2 CA SER A 2 199.372 292.802 284.660 1.00 0.00 C +ATOM 3 CA GLN A 3 201.487 291.671 281.699 1.00 0.00 C +ATOM 4 CA ARG A 4 204.507 292.069 279.410 1.00 0.00 C +ATOM 5 CA GLN A 5 205.090 295.311 277.496 1.00 0.00 C +ATOM 6 CA GLN A 6 204.057 297.164 274.331 1.00 0.00 C +ATOM 7 CA GLN A 7 206.352 297.913 271.383 1.00 0.00 C +ATOM 8 CA ARG A 8 204.823 297.165 267.974 1.00 0.00 C +ATOM 9 CA SER A 9 206.753 298.406 264.933 1.00 0.00 C +ATOM 10 CA ALA A 10 208.339 299.154 261.550 1.00 0.00 C +ATOM 11 CA PRO A 11 207.199 298.438 257.986 1.00 0.00 C +ATOM 12 CA ALA A 12 209.478 297.894 254.981 1.00 0.00 C +ATOM 13 CA PRO A 13 211.529 294.745 255.604 1.00 0.00 C +ATOM 14 CA SER A 14 209.541 291.702 256.749 1.00 0.00 C +ATOM 15 CA GLN A 15 206.547 289.629 255.629 1.00 0.00 C +ATOM 16 CA THR A 16 203.395 291.768 255.643 1.00 0.00 C +ATOM 17 CA GLN A 17 201.884 292.301 252.186 1.00 0.00 C +ATOM 18 CA THR A 18 200.455 291.759 248.696 1.00 0.00 C +ATOM 19 CA GLU A 19 202.619 289.828 246.225 1.00 0.00 C +ATOM 20 CA THR A 20 204.325 286.422 246.203 1.00 0.00 C +ATOM 21 CA PRO A 21 207.965 285.880 245.216 1.00 0.00 C +ATOM 22 CA THR A 22 209.704 282.719 243.994 1.00 0.00 C +ATOM 23 CA GLN A 23 213.257 283.121 242.678 1.00 0.00 C +ATOM 24 CA THR A 24 214.870 281.356 239.711 1.00 0.00 C +ATOM 25 CA PRO A 25 215.738 277.809 240.796 1.00 0.00 C +ATOM 26 CA GLU A 26 218.864 275.649 240.515 1.00 0.00 C +ATOM 27 CA THR A 27 221.213 277.679 238.306 1.00 0.00 C +ATOM 28 CA ARG A 28 223.291 278.443 235.205 1.00 0.00 C +ATOM 29 CA GLU A 29 225.143 278.383 231.876 1.00 0.00 C +ATOM 30 CA GLN A 30 223.127 279.512 228.847 1.00 0.00 C +ATOM 31 CA ALA A 31 219.825 280.836 230.210 1.00 0.00 C +ATOM 32 CA PRO A 32 217.092 278.283 230.934 1.00 0.00 C +ATOM 33 CA GLN A 33 215.414 274.867 231.126 1.00 0.00 C +ATOM 34 CA ILE A 34 216.512 271.993 233.373 1.00 0.00 C +ATOM 35 CA LEU A 35 216.401 268.615 235.132 1.00 0.00 C +ATOM 36 CA ARG A 36 219.762 266.929 235.748 1.00 0.00 C +ATOM 37 CA LEU A 37 221.648 264.037 234.137 1.00 0.00 C +ATOM 38 CA ARG A 38 223.916 262.638 231.414 1.00 0.00 C +ATOM 39 CA GLY A 39 222.364 259.650 229.630 1.00 0.00 C +ATOM 40 CA ALA A 40 222.872 257.347 226.638 1.00 0.00 C +ATOM 41 CA HIS A 41 226.249 257.158 224.884 1.00 0.00 C +ATOM 42 CA ALA A 42 226.935 258.751 221.492 1.00 0.00 C +ATOM 43 CA SER A 43 227.698 258.436 217.773 1.00 0.00 C +ATOM 44 CA ASN A 44 229.779 260.810 215.640 1.00 0.00 C +ATOM 45 CA GLY A 45 233.487 260.392 214.868 1.00 0.00 C +ATOM 46 CA ARG A 46 235.079 258.693 217.884 1.00 0.00 C +ATOM 47 CA SER A 47 237.639 258.015 220.623 1.00 0.00 C +ATOM 48 CA VAL A 48 238.445 258.920 224.235 1.00 0.00 C +ATOM 49 CA GLN A 49 240.823 260.280 226.883 1.00 0.00 C +ATOM 50 CA TRP A 50 240.918 264.063 227.324 1.00 0.00 C +ATOM 51 CA ALA A 51 241.642 267.393 225.620 1.00 0.00 C +ATOM 52 CA GLU A 52 242.391 267.576 221.889 1.00 0.00 C +ATOM 53 CA ASP A 53 244.406 266.678 218.782 1.00 0.00 C +ATOM 54 CA VAL A 54 243.623 268.800 215.716 1.00 0.00 C +ATOM 55 CA VAL A 55 240.452 270.909 215.841 1.00 0.00 C +ATOM 56 CA ASP A 56 240.876 274.500 217.040 1.00 0.00 C +ATOM 57 CA ASN A 57 243.918 275.231 219.215 1.00 0.00 C +ATOM 58 CA GLU A 58 246.252 272.823 221.023 1.00 0.00 C +ATOM 59 CA GLY A 59 249.988 273.244 220.404 1.00 0.00 C +ATOM 60 CA LEU A 60 252.532 271.621 218.078 1.00 0.00 C +ATOM 61 CA GLY A 61 253.433 267.935 217.734 1.00 0.00 C +ATOM 62 CA ARG A 62 253.358 264.369 219.073 1.00 0.00 C +ATOM 63 CA LYS A 63 256.251 261.903 218.812 1.00 0.00 C +ATOM 64 CA SER A 64 256.218 258.849 221.090 1.00 0.00 C +ATOM 65 CA SER A 65 259.550 257.014 220.882 1.00 0.00 C +ATOM 66 CA LYS A 66 262.800 257.021 218.893 1.00 0.00 C +ATOM 67 CA VAL A 67 266.328 257.159 217.462 1.00 0.00 C +ATOM 68 CA CYS A 68 269.445 255.058 218.085 1.00 0.00 C +ATOM 69 CA CYS A 69 271.871 253.314 215.721 1.00 0.00 C +ATOM 70 CA ILE A 70 274.687 255.413 214.245 1.00 0.00 C +ATOM 71 CA TYR A 71 276.763 253.093 212.049 1.00 0.00 C +ATOM 72 CA HIS A 72 275.242 253.295 208.562 1.00 0.00 C +ATOM 73 CA LYS A 73 276.661 251.377 205.591 1.00 0.00 C +ATOM 74 CA PRO A 74 275.471 247.853 204.764 1.00 0.00 C +ATOM 75 CA LYS A 75 277.201 244.474 205.083 1.00 0.00 C +ATOM 76 CA ALA A 76 274.598 241.717 204.715 1.00 0.00 C +ATOM 77 CA VAL A 77 271.602 239.762 203.405 1.00 0.00 C +ATOM 78 CA ASP A 78 269.015 239.093 200.688 1.00 0.00 C +ATOM 79 CA GLU A 79 265.744 237.441 201.733 1.00 0.00 C +ATOM 80 CA SER A 80 265.939 236.114 205.299 1.00 0.00 C +ATOM 81 CA SER A 81 266.933 232.560 206.247 1.00 0.00 C +ATOM 82 CA ASP A 82 267.192 230.187 209.216 1.00 0.00 C +ATOM 83 CA GLU A 83 266.290 231.518 212.670 1.00 0.00 C +ATOM 84 CA SER A 84 266.188 234.896 214.429 1.00 0.00 C +ATOM 85 CA SER A 85 265.336 235.610 218.074 1.00 0.00 C +ATOM 86 CA SER A 86 262.502 238.065 218.749 1.00 0.00 C +ATOM 87 CA ASP A 87 260.590 236.834 221.806 1.00 0.00 C +ATOM 88 CA SER A 88 261.175 234.328 224.616 1.00 0.00 C +ATOM 89 CA ASP A 89 263.274 231.417 225.894 1.00 0.00 C +ATOM 90 CA SER A 90 263.348 230.732 229.641 1.00 0.00 C +ATOM 91 CA ASP A 91 265.493 232.272 232.387 1.00 0.00 C +ATOM 92 CA SER A 92 268.263 229.764 233.128 1.00 0.00 C +ATOM 93 CA ASP A 93 271.773 230.205 234.544 1.00 0.00 C +ATOM 94 CA SER A 94 272.723 231.164 238.107 1.00 0.00 C +ATOM 95 CA GLY A 95 270.866 232.317 241.228 1.00 0.00 C +ATOM 96 CA SER A 96 268.942 235.278 242.659 1.00 0.00 C +ATOM 97 CA ASP A 97 265.883 237.206 243.858 1.00 0.00 C +ATOM 98 CA ARG A 98 266.123 239.155 247.123 1.00 0.00 C +ATOM 99 CA ASP A 99 266.368 238.658 250.893 1.00 0.00 C +ATOM 100 CA GLY A 100 269.515 238.500 253.035 1.00 0.00 C +ATOM 101 CA ALA A 101 272.699 240.413 253.884 1.00 0.00 C +ATOM 102 CA GLN A 102 274.496 239.343 257.069 1.00 0.00 C +ATOM 103 CA PRO A 103 277.659 238.884 259.142 1.00 0.00 C +ATOM 104 CA ALA A 104 279.491 238.015 262.368 1.00 0.00 C +ATOM 105 CA GLY A 105 279.667 235.307 265.043 1.00 0.00 C +ATOM 106 CA GLY A 106 281.966 232.564 263.736 1.00 0.00 C +ATOM 107 CA LYS A 107 284.169 229.643 262.673 1.00 0.00 C +ATOM 108 CA ARG A 108 282.579 226.201 263.048 1.00 0.00 C +ATOM 109 CA GLN A 109 283.272 224.152 266.185 1.00 0.00 C +ATOM 110 CA SER A 110 284.987 221.230 267.926 1.00 0.00 C +ATOM 111 CA CYS A 111 283.193 220.808 271.261 1.00 0.00 C +ATOM 112 CA GLY A 112 285.204 220.961 274.493 1.00 0.00 C +ATOM 113 CA HIS A 113 283.940 222.060 277.915 1.00 0.00 C +ATOM 114 CA GLY A 114 284.708 220.610 281.353 1.00 0.00 C +ATOM 115 CA HIS A 115 282.529 217.934 282.968 1.00 0.00 C +ATOM 116 CA GLY A 116 280.206 214.982 283.602 1.00 0.00 C +ATOM 117 CA HIS A 117 279.165 211.613 282.157 1.00 0.00 C +ATOM 118 CA SER A 118 281.291 208.455 282.297 1.00 0.00 C +ATOM 119 CA HIS A 119 283.230 208.400 285.576 1.00 0.00 C +ATOM 120 CA GLY A 120 280.822 209.228 288.411 1.00 0.00 C +ATOM 121 CA HIS A 121 277.444 210.352 289.767 1.00 0.00 C +ATOM 122 CA GLY A 122 275.976 212.432 292.601 1.00 0.00 C +ATOM 123 CA ARG A 123 273.838 210.115 294.740 1.00 0.00 C +ATOM 124 CA ARG A 124 272.213 210.932 298.088 1.00 0.00 C +ATOM 125 CA ASN A 125 272.451 212.665 301.473 1.00 0.00 C +ATOM 126 CA GLY A 126 271.218 210.171 304.075 1.00 0.00 C +ATOM 127 CA LYS A 127 271.165 210.643 307.855 1.00 0.00 C +ATOM 128 CA GLY A 128 271.840 211.575 311.488 1.00 0.00 C +ATOM 129 CA LYS A 129 271.006 215.288 311.675 1.00 0.00 C +ATOM 130 CA GLU A 130 272.468 218.498 310.235 1.00 0.00 C +ATOM 131 CA LYS A 131 274.970 220.511 308.185 1.00 0.00 C +ATOM 132 CA ARG A 132 276.495 223.671 306.700 1.00 0.00 C +ATOM 133 CA ALA A 133 278.444 224.295 303.486 1.00 0.00 C +ATOM 134 CA PRO A 134 276.746 222.537 300.564 1.00 0.00 C +ATOM 135 CA SER A 135 275.720 224.018 297.207 1.00 0.00 C +ATOM 136 CA PRO A 136 274.019 226.891 295.372 1.00 0.00 C +ATOM 137 CA ASN A 137 273.547 225.861 291.734 1.00 0.00 C +ATOM 138 CA ALA A 138 273.499 228.482 288.968 1.00 0.00 C +ATOM 139 CA TYR A 139 271.965 231.785 287.851 1.00 0.00 C +ATOM 140 CA GLU A 140 270.452 234.938 286.338 1.00 0.00 C +ATOM 141 CA LYS A 141 267.236 235.943 284.561 1.00 0.00 C +ATOM 142 CA VAL A 142 263.526 236.761 284.854 1.00 0.00 C +ATOM 143 CA PRO A 143 260.280 234.922 284.081 1.00 0.00 C +ATOM 144 CA LYS A 144 257.485 232.354 283.751 1.00 0.00 C +ATOM 145 CA PRO A 145 254.984 233.294 281.035 1.00 0.00 C +ATOM 146 CA LYS A 146 252.290 233.941 278.419 1.00 0.00 C +ATOM 147 CA PRO A 147 248.839 235.443 277.828 1.00 0.00 C +ATOM 148 CA LYS A 148 246.047 236.448 275.438 1.00 0.00 C +ATOM 149 CA ASP A 149 246.614 237.468 271.811 1.00 0.00 C +ATOM 150 CA GLY A 150 246.043 235.635 268.521 1.00 0.00 C +ATOM 151 CA PRO A 151 244.833 234.358 265.141 1.00 0.00 C +ATOM 152 CA SER A 152 242.667 232.810 262.416 1.00 0.00 C +ATOM 153 CA GLU A 153 239.073 233.026 263.661 1.00 0.00 C +ATOM 154 CA ASN A 154 236.060 231.707 261.737 1.00 0.00 C +ATOM 155 CA LYS A 155 234.266 232.171 258.408 1.00 0.00 C +ATOM 156 CA SER A 156 231.000 232.586 256.491 1.00 0.00 C +TER 157 SER A 156 +END diff --git a/Fungi/A0A8H4LXE6/A0A8H4LXE6.dcd b/Fungi/A0A8H4LXE6/A0A8H4LXE6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c65f8833a8eb2d012c92801429f7223372c2d4b1 --- /dev/null +++ b/Fungi/A0A8H4LXE6/A0A8H4LXE6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e90050dec0474e99527821e1829287b45d9407957f2ef218abbce835746cc1ce +size 10880276 diff --git a/Fungi/A0A8H4LXE6/top.pdb b/Fungi/A0A8H4LXE6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..bc858b60bd067d1ef3431b7a3686f31d5fed04da --- /dev/null +++ b/Fungi/A0A8H4LXE6/top.pdb @@ -0,0 +1,88 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 221.525 266.342 287.035 1.00 0.00 C +ATOM 2 CA ARG A 2 225.222 266.278 286.117 1.00 0.00 C +ATOM 3 CA ASP A 3 228.582 264.788 285.113 1.00 0.00 C +ATOM 4 CA LEU A 4 230.754 261.660 284.985 1.00 0.00 C +ATOM 5 CA ASP A 5 229.959 259.198 282.188 1.00 0.00 C +ATOM 6 CA GLN A 6 233.238 257.856 280.789 1.00 0.00 C +ATOM 7 CA ARG A 7 233.137 258.128 276.990 1.00 0.00 C +ATOM 8 CA VAL A 8 234.030 260.054 273.827 1.00 0.00 C +ATOM 9 CA GLN A 9 232.621 259.724 270.302 1.00 0.00 C +ATOM 10 CA ARG A 10 230.398 262.050 268.262 1.00 0.00 C +ATOM 11 CA LEU A 11 226.839 260.820 268.845 1.00 0.00 C +ATOM 12 CA LYS A 12 226.151 257.106 269.343 1.00 0.00 C +ATOM 13 CA GLU A 13 224.889 253.547 268.835 1.00 0.00 C +ATOM 14 CA LYS A 14 222.458 253.170 265.926 1.00 0.00 C +ATOM 15 CA ARG A 15 220.025 252.410 263.094 1.00 0.00 C +ATOM 16 CA GLU A 16 217.137 250.401 261.631 1.00 0.00 C +ATOM 17 CA ALA A 17 215.455 249.982 258.238 1.00 0.00 C +ATOM 18 CA LEU A 18 217.906 251.020 255.512 1.00 0.00 C +ATOM 19 CA ARG A 19 220.686 248.436 255.180 1.00 0.00 C +ATOM 20 CA ARG A 20 220.987 244.962 256.716 1.00 0.00 C +ATOM 21 CA GLN A 21 222.465 242.603 259.317 1.00 0.00 C +ATOM 22 CA GLY A 22 226.267 242.788 259.474 1.00 0.00 C +ATOM 23 CA GLU A 23 228.550 244.940 257.312 1.00 0.00 C +ATOM 24 CA LEU A 24 230.822 247.998 257.272 1.00 0.00 C +ATOM 25 CA ASN A 25 234.191 248.645 255.615 1.00 0.00 C +ATOM 26 CA GLY A 26 237.591 247.181 254.717 1.00 0.00 C +ATOM 27 CA GLN A 27 238.384 246.334 251.088 1.00 0.00 C +ATOM 28 CA GLU A 28 239.374 244.353 247.988 1.00 0.00 C +ATOM 29 CA ALA A 29 241.280 241.141 248.738 1.00 0.00 C +ATOM 30 CA ALA A 30 240.834 238.046 250.915 1.00 0.00 C +ATOM 31 CA PRO A 31 242.286 237.486 254.393 1.00 0.00 C +ATOM 32 CA GLU A 32 243.985 234.075 254.410 1.00 0.00 C +ATOM 33 CA ARG A 33 247.686 233.444 253.766 1.00 0.00 C +ATOM 34 CA PRO A 34 251.495 233.351 253.788 1.00 0.00 C +ATOM 35 CA SER A 35 253.428 230.522 252.121 1.00 0.00 C +ATOM 36 CA ASP A 36 256.901 229.088 251.491 1.00 0.00 C +ATOM 37 CA PRO A 37 259.389 227.379 249.165 1.00 0.00 C +ATOM 38 CA GLY A 38 262.452 225.201 249.791 1.00 0.00 C +ATOM 39 CA ARG A 39 266.193 225.106 249.079 1.00 0.00 C +ATOM 40 CA GLY A 40 268.004 226.378 245.977 1.00 0.00 C +ATOM 41 CA THR A 41 268.529 230.094 245.321 1.00 0.00 C +ATOM 42 CA GLY A 42 269.611 232.657 247.925 1.00 0.00 C +ATOM 43 CA ASP A 43 266.715 233.607 250.210 1.00 0.00 C +ATOM 44 CA PRO A 44 265.338 237.160 250.239 1.00 0.00 C +ATOM 45 CA PRO A 45 261.647 237.764 249.512 1.00 0.00 C +ATOM 46 CA GLY A 46 257.902 238.460 249.438 1.00 0.00 C +ATOM 47 CA GLU A 47 255.721 241.503 248.735 1.00 0.00 C +ATOM 48 CA ASP A 48 255.437 244.370 251.229 1.00 0.00 C +ATOM 49 CA ALA A 49 254.618 246.326 254.394 1.00 0.00 C +ATOM 50 CA VAL A 50 256.899 248.157 256.836 1.00 0.00 C +ATOM 51 CA THR A 51 259.247 251.153 256.993 1.00 0.00 C +ATOM 52 CA ALA A 52 261.932 251.430 254.304 1.00 0.00 C +ATOM 53 CA ALA A 53 261.280 249.230 251.263 1.00 0.00 C +ATOM 54 CA GLY A 54 260.305 248.322 247.694 1.00 0.00 C +ATOM 55 CA ALA A 55 261.753 250.494 244.919 1.00 0.00 C +ATOM 56 CA ALA A 56 262.347 254.258 244.911 1.00 0.00 C +ATOM 57 CA GLU A 57 259.078 255.714 243.604 1.00 0.00 C +ATOM 58 CA VAL A 58 259.062 259.501 244.023 1.00 0.00 C +ATOM 59 CA ASN A 59 258.006 260.999 240.682 1.00 0.00 C +ATOM 60 CA GLY A 60 255.879 261.749 237.612 1.00 0.00 C +ATOM 61 CA GLN A 61 255.774 258.794 235.209 1.00 0.00 C +ATOM 62 CA GLU A 62 256.810 259.294 231.577 1.00 0.00 C +ATOM 63 CA ASP A 63 258.694 257.674 228.689 1.00 0.00 C +ATOM 64 CA GLU A 64 260.629 254.640 229.941 1.00 0.00 C +ATOM 65 CA ASP A 65 262.537 251.398 230.543 1.00 0.00 C +ATOM 66 CA GLU A 66 262.123 249.212 227.450 1.00 0.00 C +ATOM 67 CA ASP A 67 261.354 250.549 223.966 1.00 0.00 C +ATOM 68 CA ASP A 68 262.548 253.970 222.790 1.00 0.00 C +ATOM 69 CA ASP A 69 261.974 256.106 219.688 1.00 0.00 C +ATOM 70 CA ASP A 70 263.914 259.178 218.542 1.00 0.00 C +ATOM 71 CA ASP A 71 267.700 259.580 218.403 1.00 0.00 C +ATOM 72 CA ASP A 72 269.046 256.535 220.255 1.00 0.00 C +ATOM 73 CA ASP A 73 269.337 255.143 223.789 1.00 0.00 C +ATOM 74 CA ASP A 74 272.590 256.376 225.344 1.00 0.00 C +ATOM 75 CA ASP A 75 274.566 258.540 227.779 1.00 0.00 C +ATOM 76 CA TRP A 76 273.274 258.437 231.362 1.00 0.00 C +ATOM 77 CA ASP A 77 269.479 258.099 231.407 1.00 0.00 C +ATOM 78 CA GLY A 78 268.311 258.832 234.958 1.00 0.00 C +ATOM 79 CA PHE A 79 268.779 257.130 238.335 1.00 0.00 C +ATOM 80 CA ARG A 80 268.788 259.032 241.636 1.00 0.00 C +ATOM 81 CA PHE A 81 269.832 260.543 244.974 1.00 0.00 C +ATOM 82 CA ARG A 82 267.755 262.448 247.538 1.00 0.00 C +ATOM 83 CA ALA A 83 268.427 265.954 248.869 1.00 0.00 C +ATOM 84 CA SER A 84 270.877 265.594 251.765 1.00 0.00 C +TER 85 SER A 84 +END diff --git a/Fungi/A0A8H4LY65/A0A8H4LY65.dcd b/Fungi/A0A8H4LY65/A0A8H4LY65.dcd new file mode 100644 index 0000000000000000000000000000000000000000..4d21a451e5b64808c851ce053e6d4637a45cc95c --- /dev/null +++ b/Fungi/A0A8H4LY65/A0A8H4LY65.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f5858b0b9fadf89d17860206347c7848ff76956035b33b7fce1d687a726c879b +size 11720276 diff --git a/Fungi/A0A8H4LY65/top.pdb b/Fungi/A0A8H4LY65/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a43b5ad9b847dbcd9c07d121c706613ab5249d43 --- /dev/null +++ b/Fungi/A0A8H4LY65/top.pdb @@ -0,0 +1,95 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 216.476 215.735 280.530 1.00 0.00 C +ATOM 2 CA ALA A 2 215.761 218.987 278.679 1.00 0.00 C +ATOM 3 CA ILE A 3 217.298 222.457 278.337 1.00 0.00 C +ATOM 4 CA LYS A 4 215.910 224.850 280.957 1.00 0.00 C +ATOM 5 CA ARG A 5 218.831 225.781 283.218 1.00 0.00 C +ATOM 6 CA ALA A 6 222.308 224.359 282.582 1.00 0.00 C +ATOM 7 CA ALA A 7 223.957 223.158 285.799 1.00 0.00 C +ATOM 8 CA GLN A 8 224.034 219.364 286.144 1.00 0.00 C +ATOM 9 CA GLN A 9 226.992 217.137 285.247 1.00 0.00 C +ATOM 10 CA GLY A 10 227.175 214.712 282.314 1.00 0.00 C +ATOM 11 CA THR A 11 230.243 215.522 280.205 1.00 0.00 C +ATOM 12 CA GLN A 12 233.495 214.003 278.926 1.00 0.00 C +ATOM 13 CA GLN A 13 236.242 214.951 276.462 1.00 0.00 C +ATOM 14 CA GLY A 14 239.099 212.538 275.730 1.00 0.00 C +ATOM 15 CA THR A 15 240.826 212.072 272.367 1.00 0.00 C +ATOM 16 CA GLN A 16 242.752 209.522 270.291 1.00 0.00 C +ATOM 17 CA GLN A 17 242.944 205.998 268.857 1.00 0.00 C +ATOM 18 CA GLY A 18 246.190 205.055 267.099 1.00 0.00 C +ATOM 19 CA THR A 19 247.278 206.055 263.587 1.00 0.00 C +ATOM 20 CA GLN A 20 248.037 209.240 261.639 1.00 0.00 C +ATOM 21 CA GLN A 21 251.556 210.693 261.494 1.00 0.00 C +ATOM 22 CA GLY A 22 251.543 213.990 259.585 1.00 0.00 C +ATOM 23 CA THR A 23 250.112 216.906 261.576 1.00 0.00 C +ATOM 24 CA GLN A 24 249.256 220.071 263.516 1.00 0.00 C +ATOM 25 CA GLN A 25 246.986 222.480 261.629 1.00 0.00 C +ATOM 26 CA GLY A 26 246.840 225.490 259.298 1.00 0.00 C +ATOM 27 CA THR A 27 249.213 228.139 260.664 1.00 0.00 C +ATOM 28 CA GLN A 28 251.346 228.952 263.715 1.00 0.00 C +ATOM 29 CA GLN A 29 254.377 230.974 262.599 1.00 0.00 C +ATOM 30 CA GLY A 30 257.774 229.645 263.700 1.00 0.00 C +ATOM 31 CA THR A 31 259.629 231.868 266.177 1.00 0.00 C +ATOM 32 CA GLN A 32 258.205 235.397 266.008 1.00 0.00 C +ATOM 33 CA GLN A 33 258.469 238.644 264.031 1.00 0.00 C +ATOM 34 CA GLY A 34 255.454 238.693 261.702 1.00 0.00 C +ATOM 35 CA THR A 35 251.665 238.992 261.427 1.00 0.00 C +ATOM 36 CA GLN A 36 248.667 236.663 261.110 1.00 0.00 C +ATOM 37 CA GLN A 37 247.162 237.282 257.666 1.00 0.00 C +ATOM 38 CA GLY A 38 244.784 239.743 255.990 1.00 0.00 C +ATOM 39 CA THR A 39 245.030 242.689 253.587 1.00 0.00 C +ATOM 40 CA GLN A 40 243.443 245.934 254.799 1.00 0.00 C +ATOM 41 CA GLN A 41 243.386 249.086 252.659 1.00 0.00 C +ATOM 42 CA GLY A 42 241.309 252.101 253.713 1.00 0.00 C +ATOM 43 CA THR A 43 238.385 253.897 255.368 1.00 0.00 C +ATOM 44 CA GLN A 44 234.742 253.249 256.275 1.00 0.00 C +ATOM 45 CA GLN A 45 232.730 256.218 254.988 1.00 0.00 C +ATOM 46 CA GLY A 46 232.832 259.935 255.819 1.00 0.00 C +ATOM 47 CA THR A 47 234.330 261.826 252.871 1.00 0.00 C +ATOM 48 CA GLN A 48 238.080 261.945 253.532 1.00 0.00 C +ATOM 49 CA GLN A 49 240.668 259.262 252.746 1.00 0.00 C +ATOM 50 CA GLY A 50 240.960 259.056 248.953 1.00 0.00 C +ATOM 51 CA THR A 51 243.612 258.808 246.229 1.00 0.00 C +ATOM 52 CA GLN A 52 246.328 259.192 243.585 1.00 0.00 C +ATOM 53 CA GLN A 53 245.645 259.101 239.838 1.00 0.00 C +ATOM 54 CA GLY A 54 242.817 261.247 238.454 1.00 0.00 C +ATOM 55 CA THR A 55 242.929 264.874 237.294 1.00 0.00 C +ATOM 56 CA GLN A 56 245.403 267.702 237.924 1.00 0.00 C +ATOM 57 CA GLN A 57 247.243 270.378 239.917 1.00 0.00 C +ATOM 58 CA GLY A 58 248.435 271.137 243.455 1.00 0.00 C +ATOM 59 CA THR A 59 249.909 274.649 243.353 1.00 0.00 C +ATOM 60 CA GLN A 60 249.742 277.863 245.393 1.00 0.00 C +ATOM 61 CA GLN A 61 250.663 281.388 244.277 1.00 0.00 C +ATOM 62 CA GLY A 62 250.962 282.341 240.601 1.00 0.00 C +ATOM 63 CA THR A 63 251.820 281.072 237.112 1.00 0.00 C +ATOM 64 CA GLN A 64 254.659 279.284 235.305 1.00 0.00 C +ATOM 65 CA GLN A 65 255.229 278.199 231.698 1.00 0.00 C +ATOM 66 CA GLY A 66 255.878 274.450 231.502 1.00 0.00 C +ATOM 67 CA THR A 67 254.570 270.924 232.115 1.00 0.00 C +ATOM 68 CA GLN A 68 255.872 267.482 231.127 1.00 0.00 C +ATOM 69 CA GLN A 69 256.265 266.664 227.426 1.00 0.00 C +ATOM 70 CA GLY A 70 257.777 267.948 224.174 1.00 0.00 C +ATOM 71 CA THR A 71 261.290 268.411 222.773 1.00 0.00 C +ATOM 72 CA GLN A 72 264.690 266.969 221.834 1.00 0.00 C +ATOM 73 CA GLN A 73 268.073 266.354 223.474 1.00 0.00 C +ATOM 74 CA GLY A 74 269.337 269.545 225.129 1.00 0.00 C +ATOM 75 CA THR A 75 272.993 269.748 224.078 1.00 0.00 C +ATOM 76 CA GLN A 76 274.190 266.153 223.678 1.00 0.00 C +ATOM 77 CA GLN A 77 274.434 264.265 226.978 1.00 0.00 C +ATOM 78 CA GLY A 78 272.485 266.369 229.486 1.00 0.00 C +ATOM 79 CA THR A 79 274.492 269.553 230.076 1.00 0.00 C +ATOM 80 CA GLN A 80 275.771 272.768 231.673 1.00 0.00 C +ATOM 81 CA GLN A 81 275.987 275.881 229.488 1.00 0.00 C +ATOM 82 CA GLY A 82 274.378 278.946 227.897 1.00 0.00 C +ATOM 83 CA THR A 83 274.788 282.659 228.649 1.00 0.00 C +ATOM 84 CA GLN A 84 271.938 285.135 228.133 1.00 0.00 C +ATOM 85 CA GLN A 85 271.173 287.586 225.318 1.00 0.00 C +ATOM 86 CA GLY A 86 273.970 289.692 223.815 1.00 0.00 C +ATOM 87 CA THR A 87 274.203 288.693 220.146 1.00 0.00 C +ATOM 88 CA GLN A 88 277.114 290.518 218.500 1.00 0.00 C +ATOM 89 CA GLN A 89 277.493 292.190 215.097 1.00 0.00 C +ATOM 90 CA GLY A 90 274.967 294.406 213.302 1.00 0.00 C +ATOM 91 CA ILE A 91 275.699 298.138 213.529 1.00 0.00 C +TER 92 ILE A 91 +END diff --git a/Fungi/A0A8H4SU84/A0A8H4SU84.dcd b/Fungi/A0A8H4SU84/A0A8H4SU84.dcd new file mode 100644 index 0000000000000000000000000000000000000000..72b431fd1aef486d08e0fdc607f087d7640d52d5 --- /dev/null +++ b/Fungi/A0A8H4SU84/A0A8H4SU84.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:094a7a19528aed768448fe9920742252bae70c8c8bb9fe9d771f8572c00e534f +size 12560276 diff --git a/Fungi/A0A8H4SU84/top.pdb b/Fungi/A0A8H4SU84/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..20ad2b532d6dc2ff455c87f130a7fc8fe3b9fab5 --- /dev/null +++ b/Fungi/A0A8H4SU84/top.pdb @@ -0,0 +1,102 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 229.684 273.142 198.076 1.00 0.00 C +ATOM 2 CA VAL A 2 232.591 271.325 199.739 1.00 0.00 C +ATOM 3 CA LYS A 3 231.885 268.629 202.337 1.00 0.00 C +ATOM 4 CA THR A 4 231.366 265.162 203.829 1.00 0.00 C +ATOM 5 CA ARG A 5 231.202 261.978 201.743 1.00 0.00 C +ATOM 6 CA ARG A 6 228.252 259.581 201.494 1.00 0.00 C +ATOM 7 CA ASN A 7 225.883 257.073 199.875 1.00 0.00 C +ATOM 8 CA ILE A 8 224.225 254.761 202.409 1.00 0.00 C +ATOM 9 CA TYR A 9 226.224 252.221 204.428 1.00 0.00 C +ATOM 10 CA ASP A 10 227.085 250.803 207.857 1.00 0.00 C +ATOM 11 CA ALA A 11 227.961 252.024 211.358 1.00 0.00 C +ATOM 12 CA ASP A 12 224.983 251.865 213.729 1.00 0.00 C +ATOM 13 CA VAL A 13 222.242 251.707 216.371 1.00 0.00 C +ATOM 14 CA ASP A 14 219.498 252.992 218.680 1.00 0.00 C +ATOM 15 CA ASP A 15 217.399 256.138 219.146 1.00 0.00 C +ATOM 16 CA VAL A 16 216.472 257.693 222.498 1.00 0.00 C +ATOM 17 CA HIS A 17 218.245 257.042 225.807 1.00 0.00 C +ATOM 18 CA ALA A 18 216.776 258.762 228.873 1.00 0.00 C +ATOM 19 CA ASP A 19 219.232 261.156 230.531 1.00 0.00 C +ATOM 20 CA ASN A 20 222.732 262.588 230.063 1.00 0.00 C +ATOM 21 CA GLU A 21 225.237 265.196 231.263 1.00 0.00 C +ATOM 22 CA ASP A 22 228.577 264.388 232.908 1.00 0.00 C +ATOM 23 CA ARG A 23 231.095 261.530 233.008 1.00 0.00 C +ATOM 24 CA ARG A 24 233.982 262.679 235.213 1.00 0.00 C +ATOM 25 CA PRO A 25 237.337 262.285 236.975 1.00 0.00 C +ATOM 26 CA TRP A 26 240.233 264.646 237.716 1.00 0.00 C +ATOM 27 CA ASN A 27 242.629 263.646 240.505 1.00 0.00 C +ATOM 28 CA LYS A 28 245.955 262.317 239.204 1.00 0.00 C +ATOM 29 CA GLU A 29 247.131 263.913 235.950 1.00 0.00 C +ATOM 30 CA GLN A 30 246.821 267.054 233.816 1.00 0.00 C +ATOM 31 CA ARG A 31 244.658 268.043 230.840 1.00 0.00 C +ATOM 32 CA PHE A 32 241.465 267.975 228.762 1.00 0.00 C +ATOM 33 CA CYS A 33 238.923 265.218 229.436 1.00 0.00 C +ATOM 34 CA PRO A 34 236.809 262.056 229.661 1.00 0.00 C +ATOM 35 CA ARG A 35 236.580 259.452 226.889 1.00 0.00 C +ATOM 36 CA SER A 36 236.932 255.658 226.922 1.00 0.00 C +ATOM 37 CA PRO A 37 239.709 253.050 226.948 1.00 0.00 C +ATOM 38 CA ARG A 38 243.325 253.157 225.752 1.00 0.00 C +ATOM 39 CA ARG A 39 246.235 250.700 225.669 1.00 0.00 C +ATOM 40 CA ILE A 40 248.129 249.666 228.809 1.00 0.00 C +ATOM 41 CA GLU A 41 251.809 250.598 228.495 1.00 0.00 C +ATOM 42 CA ILE A 42 253.975 251.516 225.498 1.00 0.00 C +ATOM 43 CA LYS A 43 256.120 253.813 223.343 1.00 0.00 C +ATOM 44 CA ARG A 44 259.719 254.673 224.250 1.00 0.00 C +ATOM 45 CA LYS A 45 261.727 253.623 227.312 1.00 0.00 C +ATOM 46 CA ILE A 46 263.862 253.576 230.467 1.00 0.00 C +ATOM 47 CA ASP A 47 266.442 250.837 231.065 1.00 0.00 C +ATOM 48 CA ARG A 48 267.384 248.147 233.593 1.00 0.00 C +ATOM 49 CA ASP A 49 271.040 247.353 232.870 1.00 0.00 C +ATOM 50 CA HIS A 50 273.799 249.964 233.166 1.00 0.00 C +ATOM 51 CA ASP A 51 274.342 252.456 235.997 1.00 0.00 C +ATOM 52 CA ASP A 52 274.261 254.833 238.973 1.00 0.00 C +ATOM 53 CA PRO A 53 272.687 256.843 241.801 1.00 0.00 C +ATOM 54 CA GLN A 54 269.983 254.770 243.507 1.00 0.00 C +ATOM 55 CA ASP A 55 267.494 256.062 246.085 1.00 0.00 C +ATOM 56 CA ASP A 56 268.555 257.816 249.296 1.00 0.00 C +ATOM 57 CA THR A 57 266.046 259.587 251.552 1.00 0.00 C +ATOM 58 CA HIS A 58 265.852 259.675 255.356 1.00 0.00 C +ATOM 59 CA LEU A 59 262.755 257.847 256.614 1.00 0.00 C +ATOM 60 CA PRO A 60 260.942 258.491 259.903 1.00 0.00 C +ATOM 61 CA ALA A 61 257.377 257.148 259.944 1.00 0.00 C +ATOM 62 CA SER A 62 254.383 255.563 258.201 1.00 0.00 C +ATOM 63 CA GLU A 63 250.783 256.068 257.061 1.00 0.00 C +ATOM 64 CA ALA A 64 247.617 255.761 259.157 1.00 0.00 C +ATOM 65 CA ASN A 65 246.530 253.955 262.330 1.00 0.00 C +ATOM 66 CA THR A 66 245.965 250.231 262.907 1.00 0.00 C +ATOM 67 CA PRO A 67 248.978 248.291 264.199 1.00 0.00 C +ATOM 68 CA LEU A 68 249.745 247.915 267.912 1.00 0.00 C +ATOM 69 CA HIS A 69 251.790 245.663 270.207 1.00 0.00 C +ATOM 70 CA PRO A 70 251.086 246.323 273.893 1.00 0.00 C +ATOM 71 CA ILE A 71 251.215 248.930 276.668 1.00 0.00 C +ATOM 72 CA GLU A 72 253.609 248.709 279.623 1.00 0.00 C +ATOM 73 CA THR A 73 256.552 247.515 281.727 1.00 0.00 C +ATOM 74 CA HIS A 74 258.480 244.497 280.427 1.00 0.00 C +ATOM 75 CA LYS A 75 258.478 240.857 281.553 1.00 0.00 C +ATOM 76 CA ASP A 76 256.170 237.923 282.314 1.00 0.00 C +ATOM 77 CA GLU A 77 253.157 235.697 281.616 1.00 0.00 C +ATOM 78 CA ALA A 78 253.585 232.504 283.650 1.00 0.00 C +ATOM 79 CA ILE A 79 253.605 229.721 286.252 1.00 0.00 C +ATOM 80 CA ALA A 80 253.752 227.432 289.294 1.00 0.00 C +ATOM 81 CA SER A 81 253.399 224.097 291.103 1.00 0.00 C +ATOM 82 CA PRO A 82 255.382 223.249 294.244 1.00 0.00 C +ATOM 83 CA PRO A 83 258.793 221.805 293.351 1.00 0.00 C +ATOM 84 CA THR A 84 261.634 223.819 291.807 1.00 0.00 C +ATOM 85 CA ASN A 85 264.762 225.893 292.462 1.00 0.00 C +ATOM 86 CA ILE A 86 266.692 228.877 293.837 1.00 0.00 C +ATOM 87 CA GLU A 87 267.075 231.227 296.811 1.00 0.00 C +ATOM 88 CA LEU A 88 269.100 233.132 299.417 1.00 0.00 C +ATOM 89 CA PRO A 89 272.837 232.708 298.811 1.00 0.00 C +ATOM 90 CA ARG A 90 273.987 229.176 297.959 1.00 0.00 C +ATOM 91 CA THR A 91 271.978 225.989 297.391 1.00 0.00 C +ATOM 92 CA THR A 92 271.702 224.390 300.838 1.00 0.00 C +ATOM 93 CA ASP A 93 272.427 224.797 304.556 1.00 0.00 C +ATOM 94 CA MET A 94 275.087 227.491 304.980 1.00 0.00 C +ATOM 95 CA ALA A 95 276.961 229.043 307.911 1.00 0.00 C +ATOM 96 CA PRO A 96 278.341 232.581 307.605 1.00 0.00 C +ATOM 97 CA TYR A 97 279.799 233.942 310.852 1.00 0.00 C +ATOM 98 CA LEU A 98 282.698 235.332 312.895 1.00 0.00 C +TER 99 LEU A 98 +END diff --git a/Fungi/A0A8H4UQC9/A0A8H4UQC9.dcd b/Fungi/A0A8H4UQC9/A0A8H4UQC9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..6843613e4ecba5c48f250c82b13b4c8ee75ce1b2 --- /dev/null +++ b/Fungi/A0A8H4UQC9/A0A8H4UQC9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:03eecb4b6eb6e5deb79ab7ab0ea36619b1309d1f023e838e4506e988db8974ae +size 24080276 diff --git a/Fungi/A0A8H4UQC9/top.pdb b/Fungi/A0A8H4UQC9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a79fde9a8fb4a8fdade7ca88ce06f5d62253225d --- /dev/null +++ b/Fungi/A0A8H4UQC9/top.pdb @@ -0,0 +1,198 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 340.183 261.033 291.565 1.00 0.00 C +ATOM 2 CA ALA A 2 341.059 261.503 287.887 1.00 0.00 C +ATOM 3 CA ARG A 3 342.594 259.239 285.235 1.00 0.00 C +ATOM 4 CA THR A 4 345.234 257.034 283.597 1.00 0.00 C +ATOM 5 CA LYS A 5 348.978 256.543 284.106 1.00 0.00 C +ATOM 6 CA ALA A 6 352.070 255.116 285.814 1.00 0.00 C +ATOM 7 CA GLU A 7 353.478 251.602 285.383 1.00 0.00 C +ATOM 8 CA GLY A 8 353.698 247.838 285.928 1.00 0.00 C +ATOM 9 CA VAL A 9 354.538 244.130 285.674 1.00 0.00 C +ATOM 10 CA GLY A 10 352.083 242.317 287.955 1.00 0.00 C +ATOM 11 CA GLY A 11 349.384 239.816 286.968 1.00 0.00 C +ATOM 12 CA GLU A 12 350.623 237.446 284.255 1.00 0.00 C +ATOM 13 CA SER A 13 350.961 238.008 280.502 1.00 0.00 C +ATOM 14 CA SER A 14 349.687 238.654 276.970 1.00 0.00 C +ATOM 15 CA THR A 15 347.629 241.644 275.812 1.00 0.00 C +ATOM 16 CA SER A 16 345.464 244.034 273.783 1.00 0.00 C +ATOM 17 CA PRO A 17 341.772 243.166 273.414 1.00 0.00 C +ATOM 18 CA ARG A 18 340.522 239.651 272.641 1.00 0.00 C +ATOM 19 CA ILE A 19 338.067 240.018 269.751 1.00 0.00 C +ATOM 20 CA PRO A 20 335.204 241.970 268.169 1.00 0.00 C +ATOM 21 CA LYS A 21 332.617 239.644 266.616 1.00 0.00 C +ATOM 22 CA SER A 22 329.982 238.318 264.204 1.00 0.00 C +ATOM 23 CA ALA A 23 328.202 240.587 261.714 1.00 0.00 C +ATOM 24 CA ALA A 24 326.442 243.360 259.783 1.00 0.00 C +ATOM 25 CA GLY A 25 325.006 246.757 260.742 1.00 0.00 C +ATOM 26 CA VAL A 26 321.398 247.887 260.277 1.00 0.00 C +ATOM 27 CA THR A 27 319.357 246.337 257.458 1.00 0.00 C +ATOM 28 CA LYS A 28 319.538 243.224 255.269 1.00 0.00 C +ATOM 29 CA ASN A 29 317.731 240.487 253.330 1.00 0.00 C +ATOM 30 CA SER A 30 313.934 240.221 253.498 1.00 0.00 C +ATOM 31 CA GLU A 31 311.537 242.100 255.787 1.00 0.00 C +ATOM 32 CA THR A 32 311.707 245.802 254.902 1.00 0.00 C +ATOM 33 CA PRO A 33 312.600 248.243 257.688 1.00 0.00 C +ATOM 34 CA VAL A 34 313.577 251.254 259.808 1.00 0.00 C +ATOM 35 CA LYS A 35 313.241 251.283 263.603 1.00 0.00 C +ATOM 36 CA ARG A 36 312.203 254.007 266.056 1.00 0.00 C +ATOM 37 CA GLY A 37 310.241 256.943 264.628 1.00 0.00 C +ATOM 38 CA ARG A 38 309.155 260.386 265.848 1.00 0.00 C +ATOM 39 CA GLY A 39 305.546 261.601 265.959 1.00 0.00 C +ATOM 40 CA ARG A 40 303.209 258.717 265.102 1.00 0.00 C +ATOM 41 CA PRO A 41 299.686 260.155 265.280 1.00 0.00 C +ATOM 42 CA PRO A 42 297.432 260.734 268.297 1.00 0.00 C +ATOM 43 CA SER A 43 295.124 258.683 270.529 1.00 0.00 C +ATOM 44 CA GLY A 44 293.678 255.168 270.257 1.00 0.00 C +ATOM 45 CA LYS A 45 290.967 253.166 268.480 1.00 0.00 C +ATOM 46 CA PRO A 46 287.940 253.419 266.180 1.00 0.00 C +ATOM 47 CA PRO A 47 284.305 252.650 267.023 1.00 0.00 C +ATOM 48 CA LYS A 48 281.954 253.902 264.299 1.00 0.00 C +ATOM 49 CA GLY A 49 278.969 256.219 264.786 1.00 0.00 C +ATOM 50 CA PRO A 50 277.057 258.579 262.486 1.00 0.00 C +ATOM 51 CA TYR A 51 274.272 257.487 260.126 1.00 0.00 C +ATOM 52 CA VAL A 52 270.513 257.270 260.707 1.00 0.00 C +ATOM 53 CA PRO A 53 267.287 255.446 259.820 1.00 0.00 C +ATOM 54 CA THR A 54 265.370 254.545 256.654 1.00 0.00 C +ATOM 55 CA GLY A 55 266.846 251.532 254.850 1.00 0.00 C +ATOM 56 CA ARG A 56 269.331 248.654 255.092 1.00 0.00 C +ATOM 57 CA PRO A 57 272.540 248.504 257.141 1.00 0.00 C +ATOM 58 CA ARG A 58 272.096 249.486 260.795 1.00 0.00 C +ATOM 59 CA GLY A 59 269.462 247.160 262.266 1.00 0.00 C +ATOM 60 CA ARG A 60 267.486 248.875 265.035 1.00 0.00 C +ATOM 61 CA PRO A 61 263.678 248.991 264.980 1.00 0.00 C +ATOM 62 CA PRO A 62 262.543 250.346 268.355 1.00 0.00 C +ATOM 63 CA THR A 63 259.048 251.335 269.506 1.00 0.00 C +ATOM 64 CA GLY A 64 256.232 253.354 267.922 1.00 0.00 C +ATOM 65 CA LYS A 65 252.617 252.286 268.477 1.00 0.00 C +ATOM 66 CA THR A 66 249.933 254.420 266.816 1.00 0.00 C +ATOM 67 CA PRO A 67 250.127 253.784 263.064 1.00 0.00 C +ATOM 68 CA LYS A 68 251.109 251.946 259.874 1.00 0.00 C +ATOM 69 CA GLY A 69 254.876 251.464 259.562 1.00 0.00 C +ATOM 70 CA PRO A 70 256.865 248.792 257.713 1.00 0.00 C +ATOM 71 CA TYR A 71 260.027 248.228 255.663 1.00 0.00 C +ATOM 72 CA VAL A 72 261.192 246.261 252.615 1.00 0.00 C +ATOM 73 CA PRO A 73 263.686 243.909 250.953 1.00 0.00 C +ATOM 74 CA ASN A 74 263.149 240.257 251.897 1.00 0.00 C +ATOM 75 CA GLY A 75 263.538 239.941 255.673 1.00 0.00 C +ATOM 76 CA ARG A 76 264.013 237.060 258.122 1.00 0.00 C +ATOM 77 CA PRO A 77 263.124 234.795 261.054 1.00 0.00 C +ATOM 78 CA ARG A 78 260.107 232.663 261.983 1.00 0.00 C +ATOM 79 CA GLY A 79 257.035 230.640 260.988 1.00 0.00 C +ATOM 80 CA ARG A 80 256.287 228.614 257.849 1.00 0.00 C +ATOM 81 CA PRO A 81 254.627 225.769 255.936 1.00 0.00 C +ATOM 82 CA LYS A 82 257.357 223.418 254.694 1.00 0.00 C +ATOM 83 CA GLY A 83 259.116 221.980 251.636 1.00 0.00 C +ATOM 84 CA SER A 84 257.391 219.864 248.978 1.00 0.00 C +ATOM 85 CA GLY A 85 254.173 218.574 250.558 1.00 0.00 C +ATOM 86 CA LYS A 86 251.776 220.731 252.588 1.00 0.00 C +ATOM 87 CA LYS A 87 248.536 219.182 253.859 1.00 0.00 C +ATOM 88 CA ALA A 88 245.165 219.199 255.635 1.00 0.00 C +ATOM 89 CA VAL A 89 241.769 220.829 256.203 1.00 0.00 C +ATOM 90 CA GLN A 90 238.402 222.212 255.076 1.00 0.00 C +ATOM 91 CA LYS A 91 238.634 223.116 251.382 1.00 0.00 C +ATOM 92 CA ALA A 92 240.083 222.992 247.861 1.00 0.00 C +ATOM 93 CA GLU A 93 243.736 223.525 246.920 1.00 0.00 C +ATOM 94 CA THR A 94 244.382 227.189 247.745 1.00 0.00 C +ATOM 95 CA GLU A 95 242.457 230.424 248.329 1.00 0.00 C +ATOM 96 CA THR A 96 239.258 232.483 248.126 1.00 0.00 C +ATOM 97 CA GLU A 97 238.942 233.598 244.496 1.00 0.00 C +ATOM 98 CA PRO A 98 239.303 237.370 244.094 1.00 0.00 C +ATOM 99 CA ALA A 99 236.365 239.778 244.395 1.00 0.00 C +ATOM 100 CA VAL A 100 233.765 242.379 243.401 1.00 0.00 C +ATOM 101 CA PRO A 101 231.100 244.857 242.272 1.00 0.00 C +ATOM 102 CA GLY A 102 229.188 246.282 239.300 1.00 0.00 C +ATOM 103 CA ALA A 103 227.373 245.408 236.067 1.00 0.00 C +ATOM 104 CA LYS A 104 225.580 242.457 234.457 1.00 0.00 C +ATOM 105 CA ARG A 105 224.087 239.067 235.346 1.00 0.00 C +ATOM 106 CA GLN A 106 220.727 237.630 236.426 1.00 0.00 C +ATOM 107 CA THR A 107 221.070 234.187 238.021 1.00 0.00 C +ATOM 108 CA GLY A 108 218.320 233.490 240.565 1.00 0.00 C +ATOM 109 CA PRO A 109 215.078 235.440 240.116 1.00 0.00 C +ATOM 110 CA GLY A 110 214.719 237.991 237.309 1.00 0.00 C +ATOM 111 CA ARG A 111 211.219 239.009 236.201 1.00 0.00 C +ATOM 112 CA GLY A 112 209.124 242.189 236.070 1.00 0.00 C +ATOM 113 CA ARG A 113 206.748 244.441 238.018 1.00 0.00 C +ATOM 114 CA LYS A 114 205.999 246.065 241.383 1.00 0.00 C +ATOM 115 CA SER A 115 203.761 249.138 241.651 1.00 0.00 C +ATOM 116 CA ALA A 116 203.590 250.574 238.126 1.00 0.00 C +ATOM 117 CA GLU A 117 203.279 253.120 235.309 1.00 0.00 C +ATOM 118 CA SER A 118 200.161 255.272 235.713 1.00 0.00 C +ATOM 119 CA ALA A 119 196.725 256.917 235.746 1.00 0.00 C +ATOM 120 CA SER A 120 197.059 260.530 234.582 1.00 0.00 C +ATOM 121 CA ALA A 121 195.785 262.699 237.444 1.00 0.00 C +ATOM 122 CA ALA A 122 196.783 265.574 239.737 1.00 0.00 C +ATOM 123 CA PRO A 123 194.048 267.869 241.068 1.00 0.00 C +ATOM 124 CA LYS A 124 193.612 271.267 242.735 1.00 0.00 C +ATOM 125 CA GLU A 125 192.186 274.793 242.518 1.00 0.00 C +ATOM 126 CA LEU A 126 188.577 275.026 243.719 1.00 0.00 C +ATOM 127 CA LYS A 127 185.918 272.534 244.830 1.00 0.00 C +ATOM 128 CA GLY A 128 186.329 270.767 248.181 1.00 0.00 C +ATOM 129 CA ALA A 129 183.929 269.839 250.991 1.00 0.00 C +ATOM 130 CA LYS A 130 181.401 270.875 253.646 1.00 0.00 C +ATOM 131 CA GLU A 131 182.114 272.374 257.075 1.00 0.00 C +ATOM 132 CA PRO A 132 185.746 273.515 257.227 1.00 0.00 C +ATOM 133 CA LYS A 133 189.236 272.209 256.432 1.00 0.00 C +ATOM 134 CA LYS A 134 191.034 271.838 253.093 1.00 0.00 C +ATOM 135 CA ARG A 135 191.904 273.119 249.613 1.00 0.00 C +ATOM 136 CA GLY A 136 195.460 273.165 248.245 1.00 0.00 C +ATOM 137 CA ARG A 137 197.885 270.788 249.972 1.00 0.00 C +ATOM 138 CA PRO A 138 200.691 268.976 248.139 1.00 0.00 C +ATOM 139 CA ALA A 139 203.782 270.645 246.663 1.00 0.00 C +ATOM 140 CA LYS A 140 203.103 272.309 243.304 1.00 0.00 C +ATOM 141 CA ASN A 141 203.179 275.485 241.200 1.00 0.00 C +ATOM 142 CA ALA A 142 200.924 276.445 238.283 1.00 0.00 C +ATOM 143 CA VAL A 143 203.086 276.752 235.160 1.00 0.00 C +ATOM 144 CA LYS A 144 206.275 274.677 235.357 1.00 0.00 C +ATOM 145 CA ALA A 145 208.749 273.277 237.894 1.00 0.00 C +ATOM 146 CA GLN A 146 207.653 269.737 238.783 1.00 0.00 C +ATOM 147 CA ASP A 147 206.688 267.670 235.732 1.00 0.00 C +ATOM 148 CA GLU A 148 205.205 264.619 233.997 1.00 0.00 C +ATOM 149 CA GLU A 149 204.006 261.125 234.927 1.00 0.00 C +ATOM 150 CA ALA A 150 206.462 258.480 236.148 1.00 0.00 C +ATOM 151 CA GLU A 151 208.164 259.001 239.516 1.00 0.00 C +ATOM 152 CA GLN A 152 210.591 259.293 242.439 1.00 0.00 C +ATOM 153 CA ASP A 153 211.216 256.357 244.785 1.00 0.00 C +ATOM 154 CA GLU A 154 212.266 253.199 242.930 1.00 0.00 C +ATOM 155 CA GLU A 155 209.641 251.609 240.672 1.00 0.00 C +ATOM 156 CA LEU A 156 210.636 251.922 237.008 1.00 0.00 C +ATOM 157 CA GLY A 157 211.897 251.482 233.440 1.00 0.00 C +ATOM 158 CA SER A 158 214.423 252.966 231.004 1.00 0.00 C +ATOM 159 CA VAL A 159 215.519 256.225 232.645 1.00 0.00 C +ATOM 160 CA GLU A 160 217.972 256.624 235.534 1.00 0.00 C +ATOM 161 CA ALA A 161 220.734 259.166 234.881 1.00 0.00 C +ATOM 162 CA ALA A 162 224.181 259.825 233.398 1.00 0.00 C +ATOM 163 CA ASP A 163 226.457 262.475 234.918 1.00 0.00 C +ATOM 164 CA ASP A 164 227.003 263.688 238.488 1.00 0.00 C +ATOM 165 CA LYS A 165 226.594 260.547 240.607 1.00 0.00 C +ATOM 166 CA ASP A 166 224.356 259.771 243.591 1.00 0.00 C +ATOM 167 CA LYS A 167 220.558 259.619 243.847 1.00 0.00 C +ATOM 168 CA ASP A 168 217.689 257.262 242.993 1.00 0.00 C +ATOM 169 CA ASP A 169 219.408 254.282 241.355 1.00 0.00 C +ATOM 170 CA SER A 170 218.914 250.850 239.776 1.00 0.00 C +ATOM 171 CA ASP A 171 217.189 247.541 239.006 1.00 0.00 C +ATOM 172 CA ASP A 172 216.973 245.175 236.028 1.00 0.00 C +ATOM 173 CA ASP A 173 218.591 242.863 233.468 1.00 0.00 C +ATOM 174 CA ILE A 174 219.007 243.310 229.708 1.00 0.00 C +ATOM 175 CA PRO A 175 215.860 242.110 227.927 1.00 0.00 C +ATOM 176 CA ALA A 176 212.436 240.464 227.645 1.00 0.00 C +ATOM 177 CA VAL A 177 211.189 237.042 226.527 1.00 0.00 C +ATOM 178 CA THR A 178 210.267 235.561 223.140 1.00 0.00 C +ATOM 179 CA ASP A 179 208.845 234.884 219.670 1.00 0.00 C +ATOM 180 CA PRO A 180 210.302 237.311 217.120 1.00 0.00 C +ATOM 181 CA LYS A 181 210.711 240.983 218.051 1.00 0.00 C +ATOM 182 CA SER A 182 212.921 242.202 220.905 1.00 0.00 C +ATOM 183 CA PRO A 183 212.707 245.170 223.284 1.00 0.00 C +ATOM 184 CA ASP A 184 211.593 246.638 226.619 1.00 0.00 C +ATOM 185 CA THR A 185 208.239 248.238 227.459 1.00 0.00 C +ATOM 186 CA GLU A 186 206.066 249.224 224.489 1.00 0.00 C +ATOM 187 CA GLU A 187 206.648 249.945 220.793 1.00 0.00 C +ATOM 188 CA ASP A 188 207.515 252.167 217.822 1.00 0.00 C +ATOM 189 CA LEU A 189 208.551 255.832 217.951 1.00 0.00 C +ATOM 190 CA ASP A 190 206.814 258.791 216.296 1.00 0.00 C +ATOM 191 CA GLU A 191 206.986 262.099 214.413 1.00 0.00 C +ATOM 192 CA GLU A 192 206.569 262.054 210.626 1.00 0.00 C +ATOM 193 CA GLU A 193 209.558 263.533 208.784 1.00 0.00 C +ATOM 194 CA LEU A 194 212.399 264.944 210.895 1.00 0.00 C +TER 195 LEU A 194 +END diff --git a/Fungi/A0A8H5G1P1/A0A8H5G1P1.dcd b/Fungi/A0A8H5G1P1/A0A8H5G1P1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8a09920a4c70972b18614cd0f56a278c6da75838 --- /dev/null +++ b/Fungi/A0A8H5G1P1/A0A8H5G1P1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:898811d3007401c792b89963c2977ab6400384509a909787ea67bfebe1e64201 +size 17720276 diff --git a/Fungi/A0A8H5G1P1/top.pdb b/Fungi/A0A8H5G1P1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4b4f52e05f3fb08784dbe9f06d3b51a6ce971d8d --- /dev/null +++ b/Fungi/A0A8H5G1P1/top.pdb @@ -0,0 +1,145 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 266.081 278.219 262.467 1.00 0.00 C +ATOM 2 CA TYR A 2 263.499 280.632 261.042 1.00 0.00 C +ATOM 3 CA LYS A 3 264.518 281.810 257.565 1.00 0.00 C +ATOM 4 CA ASP A 4 267.104 280.859 254.933 1.00 0.00 C +ATOM 5 CA GLY A 5 266.331 281.859 251.338 1.00 0.00 C +ATOM 6 CA ARG A 6 269.230 283.569 249.553 1.00 0.00 C +ATOM 7 CA ALA A 7 272.416 283.912 247.492 1.00 0.00 C +ATOM 8 CA THR A 8 273.846 281.581 244.840 1.00 0.00 C +ATOM 9 CA PRO A 9 272.972 277.874 244.960 1.00 0.00 C +ATOM 10 CA SER A 10 270.202 277.104 247.460 1.00 0.00 C +ATOM 11 CA LEU A 11 266.753 275.798 248.415 1.00 0.00 C +ATOM 12 CA ARG A 12 263.750 273.954 249.863 1.00 0.00 C +ATOM 13 CA THR A 13 260.079 274.445 250.758 1.00 0.00 C +ATOM 14 CA ARG A 14 256.866 276.464 250.417 1.00 0.00 C +ATOM 15 CA THR A 15 254.042 277.539 248.097 1.00 0.00 C +ATOM 16 CA PRO A 16 253.424 279.542 244.915 1.00 0.00 C +ATOM 17 CA ALA A 17 256.637 279.448 242.869 1.00 0.00 C +ATOM 18 CA PRO A 18 259.852 278.287 241.186 1.00 0.00 C +ATOM 19 CA SER A 19 263.372 279.241 240.084 1.00 0.00 C +ATOM 20 CA LYS A 20 264.883 280.087 236.690 1.00 0.00 C +ATOM 21 CA THR A 21 265.125 277.953 233.544 1.00 0.00 C +ATOM 22 CA GLY A 22 263.653 277.378 230.077 1.00 0.00 C +ATOM 23 CA SER A 23 263.884 280.757 228.332 1.00 0.00 C +ATOM 24 CA ALA A 24 261.156 283.397 228.662 1.00 0.00 C +ATOM 25 CA SER A 25 257.872 285.074 229.619 1.00 0.00 C +ATOM 26 CA GLY A 26 257.664 288.123 231.894 1.00 0.00 C +ATOM 27 CA PRO A 27 255.938 291.495 231.491 1.00 0.00 C +ATOM 28 CA ASN A 28 255.049 291.809 227.799 1.00 0.00 C +ATOM 29 CA GLY A 29 254.204 294.286 225.030 1.00 0.00 C +ATOM 30 CA SER A 30 250.730 295.628 225.834 1.00 0.00 C +ATOM 31 CA GLN A 31 247.955 293.039 226.164 1.00 0.00 C +ATOM 32 CA PRO A 32 246.461 291.601 222.968 1.00 0.00 C +ATOM 33 CA GLN A 33 245.211 292.957 219.634 1.00 0.00 C +ATOM 34 CA SER A 34 242.163 293.056 217.350 1.00 0.00 C +ATOM 35 CA GLN A 35 242.733 295.174 214.234 1.00 0.00 C +ATOM 36 CA PRO A 36 244.599 293.289 211.499 1.00 0.00 C +ATOM 37 CA TYR A 37 245.694 291.140 208.550 1.00 0.00 C +ATOM 38 CA PRO A 38 247.498 287.823 208.044 1.00 0.00 C +ATOM 39 CA THR A 39 248.739 284.474 206.716 1.00 0.00 C +ATOM 40 CA ASN A 40 247.032 282.979 203.655 1.00 0.00 C +ATOM 41 CA PRO A 41 246.851 279.325 202.592 1.00 0.00 C +ATOM 42 CA TYR A 42 246.724 275.767 201.236 1.00 0.00 C +ATOM 43 CA PRO A 43 248.288 275.094 197.828 1.00 0.00 C +ATOM 44 CA SER A 44 250.356 278.112 196.762 1.00 0.00 C +ATOM 45 CA ASN A 45 253.695 278.762 198.479 1.00 0.00 C +ATOM 46 CA GLN A 46 257.384 279.327 197.712 1.00 0.00 C +ATOM 47 CA GLY A 47 259.393 280.808 200.591 1.00 0.00 C +ATOM 48 CA PRO A 48 261.543 283.024 202.824 1.00 0.00 C +ATOM 49 CA ASN A 49 264.210 284.702 204.965 1.00 0.00 C +ATOM 50 CA GLY A 50 264.048 288.507 205.081 1.00 0.00 C +ATOM 51 CA ILE A 51 262.295 291.706 203.982 1.00 0.00 C +ATOM 52 CA PRO A 52 258.567 291.782 203.197 1.00 0.00 C +ATOM 53 CA PHE A 53 257.026 288.866 201.289 1.00 0.00 C +ATOM 54 CA PRO A 54 254.595 286.193 202.496 1.00 0.00 C +ATOM 55 CA SER A 55 255.250 284.196 205.674 1.00 0.00 C +ATOM 56 CA GLY A 56 255.066 285.740 209.152 1.00 0.00 C +ATOM 57 CA ALA A 57 255.682 288.946 211.116 1.00 0.00 C +ATOM 58 CA SER A 58 253.548 289.527 214.218 1.00 0.00 C +ATOM 59 CA GLY A 59 250.694 289.512 216.742 1.00 0.00 C +ATOM 60 CA MET A 60 248.273 286.930 218.153 1.00 0.00 C +ATOM 61 CA HIS A 61 246.930 285.572 221.450 1.00 0.00 C +ATOM 62 CA GLN A 62 244.676 282.514 221.738 1.00 0.00 C +ATOM 63 CA ALA A 63 244.891 279.233 223.663 1.00 0.00 C +ATOM 64 CA GLN A 64 241.622 277.291 223.898 1.00 0.00 C +ATOM 65 CA PRO A 65 237.814 277.184 223.974 1.00 0.00 C +ATOM 66 CA PRO A 66 236.608 274.702 226.601 1.00 0.00 C +ATOM 67 CA MET A 67 235.663 275.101 230.271 1.00 0.00 C +ATOM 68 CA ARG A 68 232.058 275.552 231.418 1.00 0.00 C +ATOM 69 CA GLY A 69 228.747 274.059 232.571 1.00 0.00 C +ATOM 70 CA ILE A 70 226.716 271.065 233.767 1.00 0.00 C +ATOM 71 CA PHE A 71 226.965 267.857 235.807 1.00 0.00 C +ATOM 72 CA GLY A 72 224.103 265.396 235.296 1.00 0.00 C +ATOM 73 CA THR A 73 223.807 261.983 236.963 1.00 0.00 C +ATOM 74 CA ASN A 74 224.505 258.280 236.395 1.00 0.00 C +ATOM 75 CA VAL A 75 224.009 255.554 239.010 1.00 0.00 C +ATOM 76 CA GLN A 76 225.210 252.963 241.532 1.00 0.00 C +ATOM 77 CA VAL A 77 225.537 254.678 244.919 1.00 0.00 C +ATOM 78 CA ASP A 78 225.701 254.926 248.717 1.00 0.00 C +ATOM 79 CA ARG A 79 228.817 256.621 250.107 1.00 0.00 C +ATOM 80 CA ASP A 80 230.737 254.467 252.595 1.00 0.00 C +ATOM 81 CA PRO A 81 229.620 251.185 254.174 1.00 0.00 C +ATOM 82 CA GLY A 82 227.056 248.481 254.968 1.00 0.00 C +ATOM 83 CA PRO A 83 224.560 246.880 257.360 1.00 0.00 C +ATOM 84 CA GLY A 84 224.760 243.417 258.936 1.00 0.00 C +ATOM 85 CA ARG A 85 226.503 240.998 261.308 1.00 0.00 C +ATOM 86 CA ALA A 86 227.506 237.555 260.019 1.00 0.00 C +ATOM 87 CA PHE A 87 231.012 236.838 261.326 1.00 0.00 C +ATOM 88 CA PRO A 88 233.513 237.047 258.459 1.00 0.00 C +ATOM 89 CA PRO A 89 235.485 236.111 255.337 1.00 0.00 C +ATOM 90 CA PRO A 90 233.710 233.162 253.702 1.00 0.00 C +ATOM 91 CA PRO A 91 231.823 230.497 255.665 1.00 0.00 C +ATOM 92 CA THR A 92 232.089 227.109 257.387 1.00 0.00 C +ATOM 93 CA THR A 93 234.328 224.148 258.244 1.00 0.00 C +ATOM 94 CA PHE A 94 237.035 221.940 259.765 1.00 0.00 C +ATOM 95 CA VAL A 95 237.883 221.881 263.479 1.00 0.00 C +ATOM 96 CA SER A 96 236.861 218.549 265.018 1.00 0.00 C +ATOM 97 CA ALA A 97 239.528 217.810 267.637 1.00 0.00 C +ATOM 98 CA PRO A 98 240.894 214.300 267.068 1.00 0.00 C +ATOM 99 CA ARG A 99 239.761 212.785 263.761 1.00 0.00 C +ATOM 100 CA ALA A 100 242.600 210.708 262.296 1.00 0.00 C +ATOM 101 CA ARG A 101 246.108 209.598 261.306 1.00 0.00 C +ATOM 102 CA THR A 102 249.604 210.450 262.558 1.00 0.00 C +ATOM 103 CA SER A 103 253.067 210.722 264.123 1.00 0.00 C +ATOM 104 CA SER A 104 256.313 208.948 263.211 1.00 0.00 C +ATOM 105 CA SER A 105 259.873 207.622 262.915 1.00 0.00 C +ATOM 106 CA MET A 106 261.375 204.391 264.265 1.00 0.00 C +ATOM 107 CA SER A 107 259.918 203.878 267.748 1.00 0.00 C +ATOM 108 CA ASN A 108 259.954 200.186 268.686 1.00 0.00 C +ATOM 109 CA ARG A 109 258.650 196.700 269.500 1.00 0.00 C +ATOM 110 CA ASN A 110 258.232 193.994 272.150 1.00 0.00 C +ATOM 111 CA VAL A 111 257.342 195.072 275.694 1.00 0.00 C +ATOM 112 CA PHE A 112 253.585 194.690 276.200 1.00 0.00 C +ATOM 113 CA SER A 113 249.881 194.802 275.315 1.00 0.00 C +ATOM 114 CA ASP A 114 248.365 197.467 277.578 1.00 0.00 C +ATOM 115 CA SER A 115 247.840 198.316 281.255 1.00 0.00 C +ATOM 116 CA GLU A 116 249.904 196.437 283.848 1.00 0.00 C +ATOM 117 CA THR A 117 251.446 196.701 287.322 1.00 0.00 C +ATOM 118 CA ASP A 118 253.803 197.014 290.299 1.00 0.00 C +ATOM 119 CA SER A 119 257.465 196.849 289.260 1.00 0.00 C +ATOM 120 CA ASP A 120 259.791 199.619 288.062 1.00 0.00 C +ATOM 121 CA ARG A 121 261.088 203.188 287.750 1.00 0.00 C +ATOM 122 CA SER A 122 262.415 205.679 290.309 1.00 0.00 C +ATOM 123 CA ALA A 123 263.084 206.596 293.946 1.00 0.00 C +ATOM 124 CA ARG A 124 261.619 205.413 297.259 1.00 0.00 C +ATOM 125 CA ALA A 125 260.161 206.340 300.655 1.00 0.00 C +ATOM 126 CA ASN A 126 259.025 203.872 303.326 1.00 0.00 C +ATOM 127 CA THR A 127 255.274 203.364 303.756 1.00 0.00 C +ATOM 128 CA ALA A 128 253.837 206.741 304.782 1.00 0.00 C +ATOM 129 CA LEU A 129 254.435 210.372 305.770 1.00 0.00 C +ATOM 130 CA ASN A 130 258.155 210.952 306.352 1.00 0.00 C +ATOM 131 CA ALA A 131 261.869 211.032 307.200 1.00 0.00 C +ATOM 132 CA GLY A 132 264.303 208.196 307.941 1.00 0.00 C +ATOM 133 CA TYR A 133 265.379 204.635 307.121 1.00 0.00 C +ATOM 134 CA SER A 134 262.781 202.072 308.215 1.00 0.00 C +ATOM 135 CA LEU A 135 260.335 199.353 307.145 1.00 0.00 C +ATOM 136 CA PRO A 136 258.652 196.020 307.902 1.00 0.00 C +ATOM 137 CA ARG A 137 256.373 193.305 306.505 1.00 0.00 C +ATOM 138 CA VAL A 138 254.976 189.763 306.637 1.00 0.00 C +ATOM 139 CA PRO A 139 252.757 187.493 308.744 1.00 0.00 C +ATOM 140 CA SER A 140 249.723 188.891 310.577 1.00 0.00 C +ATOM 141 CA THR A 141 246.898 186.384 310.080 1.00 0.00 C +TER 142 THR A 141 +END diff --git a/Fungi/A0A8H5H626/A0A8H5H626.dcd b/Fungi/A0A8H5H626/A0A8H5H626.dcd new file mode 100644 index 0000000000000000000000000000000000000000..16a3d368d4703f09e6002497800afd4d92b6b59a --- /dev/null +++ b/Fungi/A0A8H5H626/A0A8H5H626.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c40e45071f2f2d366177374886da9d9aa9c2150bee4edbdbe4225f685a3be3cb +size 18320276 diff --git a/Fungi/A0A8H5H626/top.pdb b/Fungi/A0A8H5H626/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f95f85eed51db9123fa0a5b761d1d6026cba2b48 --- /dev/null +++ b/Fungi/A0A8H5H626/top.pdb @@ -0,0 +1,150 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 236.522 257.485 263.685 1.00 0.00 C +ATOM 2 CA ARG A 2 237.992 259.032 260.529 1.00 0.00 C +ATOM 3 CA ALA A 3 236.111 262.008 259.074 1.00 0.00 C +ATOM 4 CA SER A 4 237.345 265.064 260.986 1.00 0.00 C +ATOM 5 CA LEU A 5 238.165 266.481 264.426 1.00 0.00 C +ATOM 6 CA PRO A 6 234.880 267.159 266.234 1.00 0.00 C +ATOM 7 CA PHE A 7 231.386 267.025 264.721 1.00 0.00 C +ATOM 8 CA ILE A 8 227.941 266.583 263.155 1.00 0.00 C +ATOM 9 CA GLY A 9 227.335 266.105 259.424 1.00 0.00 C +ATOM 10 CA TYR A 10 225.530 265.558 256.114 1.00 0.00 C +ATOM 11 CA GLY A 11 226.587 262.759 253.754 1.00 0.00 C +ATOM 12 CA GLY A 12 225.554 260.499 250.866 1.00 0.00 C +ATOM 13 CA MET A 13 228.714 259.326 249.090 1.00 0.00 C +ATOM 14 CA ASP A 14 228.382 259.966 245.349 1.00 0.00 C +ATOM 15 CA SER A 15 228.669 262.766 242.781 1.00 0.00 C +ATOM 16 CA ARG A 16 225.900 265.380 242.918 1.00 0.00 C +ATOM 17 CA VAL A 17 222.282 266.299 243.682 1.00 0.00 C +ATOM 18 CA LYS A 18 218.608 265.463 244.241 1.00 0.00 C +ATOM 19 CA LYS A 19 215.703 263.406 242.880 1.00 0.00 C +ATOM 20 CA GLU A 20 215.233 260.153 240.953 1.00 0.00 C +ATOM 21 CA GLU A 21 212.860 258.567 238.429 1.00 0.00 C +ATOM 22 CA GLU A 22 213.545 256.609 235.234 1.00 0.00 C +ATOM 23 CA ASN A 23 217.123 256.477 233.930 1.00 0.00 C +ATOM 24 CA GLY A 24 220.781 256.864 234.924 1.00 0.00 C +ATOM 25 CA ASP A 25 224.054 254.923 234.737 1.00 0.00 C +ATOM 26 CA LEU A 26 224.940 251.220 234.870 1.00 0.00 C +ATOM 27 CA GLY A 27 227.047 249.972 237.789 1.00 0.00 C +ATOM 28 CA SER A 28 228.809 249.247 241.089 1.00 0.00 C +ATOM 29 CA ARG A 29 231.022 251.260 243.448 1.00 0.00 C +ATOM 30 CA PHE A 30 234.663 250.171 243.170 1.00 0.00 C +ATOM 31 CA ALA A 31 237.115 247.539 241.915 1.00 0.00 C +ATOM 32 CA ARG A 32 237.392 244.097 243.524 1.00 0.00 C +ATOM 33 CA ASP A 33 239.560 240.984 243.166 1.00 0.00 C +ATOM 34 CA LYS A 34 242.636 241.964 241.144 1.00 0.00 C +ATOM 35 CA ASP A 35 243.353 244.940 238.876 1.00 0.00 C +ATOM 36 CA GLY A 36 247.113 245.010 238.268 1.00 0.00 C +ATOM 37 CA GLN A 37 248.203 245.684 234.680 1.00 0.00 C +ATOM 38 CA SER A 38 245.764 246.860 232.000 1.00 0.00 C +ATOM 39 CA VAL A 39 242.129 245.867 232.567 1.00 0.00 C +ATOM 40 CA GLY A 40 241.013 244.355 229.253 1.00 0.00 C +ATOM 41 CA SER A 41 237.605 243.115 228.084 1.00 0.00 C +ATOM 42 CA THR A 42 234.230 242.842 229.832 1.00 0.00 C +ATOM 43 CA PHE A 43 232.221 239.644 229.334 1.00 0.00 C +ATOM 44 CA ARG A 44 231.028 236.789 231.558 1.00 0.00 C +ATOM 45 CA SER A 45 229.106 233.587 232.311 1.00 0.00 C +ATOM 46 CA PRO A 46 225.553 233.816 230.955 1.00 0.00 C +ATOM 47 CA ASP A 47 224.425 237.448 231.191 1.00 0.00 C +ATOM 48 CA ARG A 48 224.085 239.917 234.073 1.00 0.00 C +ATOM 49 CA GLN A 49 224.601 239.433 237.817 1.00 0.00 C +ATOM 50 CA TYR A 50 227.678 239.898 240.014 1.00 0.00 C +ATOM 51 CA VAL A 51 227.176 243.161 241.916 1.00 0.00 C +ATOM 52 CA ASN A 52 229.528 243.464 244.897 1.00 0.00 C +ATOM 53 CA THR A 53 232.019 243.758 247.766 1.00 0.00 C +ATOM 54 CA LEU A 54 233.126 241.178 250.341 1.00 0.00 C +ATOM 55 CA THR A 55 234.323 241.885 253.889 1.00 0.00 C +ATOM 56 CA ASN A 56 235.655 245.415 254.415 1.00 0.00 C +ATOM 57 CA SER A 57 233.922 248.785 254.023 1.00 0.00 C +ATOM 58 CA ALA A 58 236.157 251.863 254.232 1.00 0.00 C +ATOM 59 CA PRO A 59 239.914 251.905 254.869 1.00 0.00 C +ATOM 60 CA ARG A 60 243.180 252.989 253.235 1.00 0.00 C +ATOM 61 CA PRO A 61 245.890 255.310 254.572 1.00 0.00 C +ATOM 62 CA HIS A 62 248.536 254.374 257.149 1.00 0.00 C +ATOM 63 CA PRO A 63 248.836 255.216 260.852 1.00 0.00 C +ATOM 64 CA THR A 64 246.695 252.845 262.928 1.00 0.00 C +ATOM 65 CA ALA A 65 243.914 250.247 263.108 1.00 0.00 C +ATOM 66 CA ASP A 66 241.739 247.950 260.984 1.00 0.00 C +ATOM 67 CA THR A 67 243.272 244.490 260.547 1.00 0.00 C +ATOM 68 CA SER A 68 245.816 244.721 257.721 1.00 0.00 C +ATOM 69 CA ALA A 69 246.157 241.169 256.384 1.00 0.00 C +ATOM 70 CA GLY A 70 246.679 237.445 255.773 1.00 0.00 C +ATOM 71 CA HIS A 71 244.419 234.384 255.983 1.00 0.00 C +ATOM 72 CA ASP A 72 240.752 234.887 255.080 1.00 0.00 C +ATOM 73 CA ASP A 73 239.111 236.534 258.099 1.00 0.00 C +ATOM 74 CA GLN A 74 240.453 237.460 261.542 1.00 0.00 C +ATOM 75 CA GLY A 75 240.618 237.448 265.348 1.00 0.00 C +ATOM 76 CA ARG A 76 244.091 238.533 266.481 1.00 0.00 C +ATOM 77 CA ASP A 77 246.801 239.074 269.103 1.00 0.00 C +ATOM 78 CA PRO A 78 249.874 237.123 267.978 1.00 0.00 C +ATOM 79 CA ARG A 79 252.591 239.757 267.535 1.00 0.00 C +ATOM 80 CA GLU A 80 255.298 240.289 270.163 1.00 0.00 C +ATOM 81 CA TYR A 81 256.026 237.215 272.293 1.00 0.00 C +ATOM 82 CA GLY A 82 259.757 236.577 271.859 1.00 0.00 C +ATOM 83 CA GLN A 83 262.856 234.889 270.421 1.00 0.00 C +ATOM 84 CA ARG A 84 263.696 234.995 266.706 1.00 0.00 C +ATOM 85 CA PHE A 85 266.312 237.256 265.106 1.00 0.00 C +ATOM 86 CA THR A 86 267.942 240.639 265.755 1.00 0.00 C +ATOM 87 CA SER A 87 270.368 243.564 266.020 1.00 0.00 C +ATOM 88 CA SER A 88 272.592 244.152 262.983 1.00 0.00 C +ATOM 89 CA GLY A 89 271.062 242.503 259.909 1.00 0.00 C +ATOM 90 CA SER A 90 273.252 239.735 258.473 1.00 0.00 C +ATOM 91 CA VAL A 91 274.980 240.801 255.250 1.00 0.00 C +ATOM 92 CA ILE A 92 274.855 239.267 251.764 1.00 0.00 C +ATOM 93 CA LYS A 93 272.103 237.965 249.474 1.00 0.00 C +ATOM 94 CA LYS A 94 269.921 235.497 247.560 1.00 0.00 C +ATOM 95 CA GLU A 95 268.199 237.165 244.599 1.00 0.00 C +ATOM 96 CA ASP A 96 264.729 238.516 243.793 1.00 0.00 C +ATOM 97 CA ASP A 97 262.130 240.695 242.057 1.00 0.00 C +ATOM 98 CA GLY A 98 262.231 242.009 238.483 1.00 0.00 C +ATOM 99 CA GLN A 99 262.666 245.167 236.395 1.00 0.00 C +ATOM 100 CA LYS A 100 263.797 245.058 232.759 1.00 0.00 C +ATOM 101 CA THR A 101 266.516 242.823 231.300 1.00 0.00 C +ATOM 102 CA GLY A 102 268.204 240.538 228.761 1.00 0.00 C +ATOM 103 CA ARG A 103 268.933 242.539 225.602 1.00 0.00 C +ATOM 104 CA ASN A 104 269.543 244.623 222.471 1.00 0.00 C +ATOM 105 CA ARG A 105 268.263 247.654 220.551 1.00 0.00 C +ATOM 106 CA ALA A 106 265.570 250.318 220.963 1.00 0.00 C +ATOM 107 CA LYS A 107 262.926 253.053 220.761 1.00 0.00 C +ATOM 108 CA VAL A 108 263.550 255.848 223.273 1.00 0.00 C +ATOM 109 CA GLU A 109 263.928 258.779 225.678 1.00 0.00 C +ATOM 110 CA GLU A 110 263.972 261.372 228.470 1.00 0.00 C +ATOM 111 CA ASN A 111 266.390 264.237 229.147 1.00 0.00 C +ATOM 112 CA LYS A 112 269.632 263.342 230.937 1.00 0.00 C +ATOM 113 CA SER A 113 269.660 261.740 234.394 1.00 0.00 C +ATOM 114 CA GLN A 114 266.357 262.666 236.051 1.00 0.00 C +ATOM 115 CA SER A 115 265.022 266.157 236.794 1.00 0.00 C +ATOM 116 CA LEU A 116 262.509 268.288 238.707 1.00 0.00 C +ATOM 117 CA ARG A 117 262.138 270.299 241.922 1.00 0.00 C +ATOM 118 CA ALA A 118 258.491 270.965 242.802 1.00 0.00 C +ATOM 119 CA VAL A 119 255.575 268.628 243.544 1.00 0.00 C +ATOM 120 CA LYS A 120 253.543 265.407 243.622 1.00 0.00 C +ATOM 121 CA ARG A 121 255.301 263.227 246.206 1.00 0.00 C +ATOM 122 CA GLU A 122 258.998 264.134 246.047 1.00 0.00 C +ATOM 123 CA ARG A 123 262.111 262.046 246.727 1.00 0.00 C +ATOM 124 CA ASP A 124 265.597 263.572 246.913 1.00 0.00 C +ATOM 125 CA ASP A 125 267.459 264.161 250.185 1.00 0.00 C +ATOM 126 CA GLY A 126 270.808 263.072 251.639 1.00 0.00 C +ATOM 127 CA GLY A 127 274.358 261.885 252.351 1.00 0.00 C +ATOM 128 CA ARG A 128 274.862 261.471 256.105 1.00 0.00 C +ATOM 129 CA ASN A 129 276.417 259.953 259.234 1.00 0.00 C +ATOM 130 CA LEU A 130 277.058 256.937 261.473 1.00 0.00 C +ATOM 131 CA THR A 131 275.811 253.401 262.145 1.00 0.00 C +ATOM 132 CA GLY A 132 273.169 251.781 264.361 1.00 0.00 C +ATOM 133 CA TYR A 133 272.072 249.645 267.319 1.00 0.00 C +ATOM 134 CA HIS A 134 273.426 247.695 270.300 1.00 0.00 C +ATOM 135 CA GLY A 135 273.302 250.161 273.202 1.00 0.00 C +ATOM 136 CA ASP A 136 276.435 252.301 272.855 1.00 0.00 C +ATOM 137 CA PHE A 137 280.010 251.215 273.598 1.00 0.00 C +ATOM 138 CA LYS A 138 281.974 249.883 276.579 1.00 0.00 C +ATOM 139 CA ARG A 139 284.540 247.202 275.716 1.00 0.00 C +ATOM 140 CA VAL A 140 283.062 243.745 275.099 1.00 0.00 C +ATOM 141 CA ARG A 141 280.566 241.069 276.159 1.00 0.00 C +ATOM 142 CA THR A 142 276.937 240.853 275.021 1.00 0.00 C +ATOM 143 CA GLY A 143 273.951 243.173 274.552 1.00 0.00 C +ATOM 144 CA ALA A 144 270.964 245.131 275.879 1.00 0.00 C +ATOM 145 CA TYR A 145 268.091 247.280 277.160 1.00 0.00 C +ATOM 146 CA LEU A 146 267.490 250.792 275.809 1.00 0.00 C +TER 147 LEU A 146 +END diff --git a/Fungi/A0A8H5I6Y1/A0A8H5I6Y1.dcd b/Fungi/A0A8H5I6Y1/A0A8H5I6Y1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..52db24297040d962cdf7806e365e3fb24c707df5 --- /dev/null +++ b/Fungi/A0A8H5I6Y1/A0A8H5I6Y1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b2b1de780a7e9554ad82be0cd607723688c9085bcd6938cface4bfaca70cfe11 +size 15080276 diff --git a/Fungi/A0A8H5I6Y1/top.pdb b/Fungi/A0A8H5I6Y1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..17b4d066e1d1997d00ed2094055892c4bccdb9fc --- /dev/null +++ b/Fungi/A0A8H5I6Y1/top.pdb @@ -0,0 +1,123 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 237.682 281.065 251.644 1.00 0.00 C +ATOM 2 CA ALA A 2 238.692 277.711 253.143 1.00 0.00 C +ATOM 3 CA LYS A 3 239.287 274.422 254.971 1.00 0.00 C +ATOM 4 CA SER A 4 236.329 272.020 254.944 1.00 0.00 C +ATOM 5 CA ALA A 5 234.673 272.042 258.375 1.00 0.00 C +ATOM 6 CA ARG A 6 236.053 273.605 261.564 1.00 0.00 C +ATOM 7 CA ALA A 7 235.634 271.010 264.322 1.00 0.00 C +ATOM 8 CA SER A 8 239.168 269.787 265.050 1.00 0.00 C +ATOM 9 CA THR A 9 240.375 266.229 264.419 1.00 0.00 C +ATOM 10 CA ARG A 10 243.193 263.789 263.630 1.00 0.00 C +ATOM 11 CA LYS A 11 244.930 260.580 264.728 1.00 0.00 C +ATOM 12 CA ALA A 12 246.606 257.541 263.156 1.00 0.00 C +ATOM 13 CA ASN A 13 250.223 258.573 262.547 1.00 0.00 C +ATOM 14 CA ASN A 14 251.583 261.643 260.747 1.00 0.00 C +ATOM 15 CA ARG A 15 253.899 261.403 257.731 1.00 0.00 C +ATOM 16 CA ARG A 16 255.645 259.946 254.675 1.00 0.00 C +ATOM 17 CA LEU A 17 255.237 259.662 250.897 1.00 0.00 C +ATOM 18 CA VAL A 18 253.152 258.758 247.839 1.00 0.00 C +ATOM 19 CA LYS A 19 249.428 258.851 247.037 1.00 0.00 C +ATOM 20 CA ASN A 20 246.114 256.972 246.998 1.00 0.00 C +ATOM 21 CA VAL A 21 244.036 256.865 243.805 1.00 0.00 C +ATOM 22 CA PHE A 22 242.660 260.395 243.401 1.00 0.00 C +ATOM 23 CA GLY A 23 242.123 263.741 245.142 1.00 0.00 C +ATOM 24 CA PRO A 24 242.501 267.520 245.442 1.00 0.00 C +ATOM 25 CA ALA A 25 243.996 270.536 243.656 1.00 0.00 C +ATOM 26 CA GLU A 26 243.512 274.140 244.795 1.00 0.00 C +ATOM 27 CA ALA A 27 246.006 276.969 244.250 1.00 0.00 C +ATOM 28 CA ALA A 28 245.990 279.393 247.189 1.00 0.00 C +ATOM 29 CA ARG A 29 248.405 279.784 250.110 1.00 0.00 C +ATOM 30 CA ASN A 30 251.676 278.398 251.486 1.00 0.00 C +ATOM 31 CA GLU A 31 255.300 279.334 252.200 1.00 0.00 C +ATOM 32 CA ARG A 32 255.543 283.123 252.516 1.00 0.00 C +ATOM 33 CA LEU A 33 254.502 285.069 249.410 1.00 0.00 C +ATOM 34 CA SER A 34 251.563 284.008 247.229 1.00 0.00 C +ATOM 35 CA ALA A 35 252.274 282.147 243.982 1.00 0.00 C +ATOM 36 CA LYS A 36 255.029 281.337 241.478 1.00 0.00 C +ATOM 37 CA LEU A 37 258.096 280.403 243.537 1.00 0.00 C +ATOM 38 CA LEU A 38 258.699 279.795 247.249 1.00 0.00 C +ATOM 39 CA GLU A 39 261.291 277.980 249.371 1.00 0.00 C +ATOM 40 CA LEU A 40 261.217 274.377 248.136 1.00 0.00 C +ATOM 41 CA ALA A 41 260.111 270.731 248.083 1.00 0.00 C +ATOM 42 CA LYS A 42 256.733 269.139 248.839 1.00 0.00 C +ATOM 43 CA GLN A 43 257.191 266.411 251.459 1.00 0.00 C +ATOM 44 CA PRO A 44 257.747 266.564 255.226 1.00 0.00 C +ATOM 45 CA LYS A 45 260.066 264.178 257.082 1.00 0.00 C +ATOM 46 CA PRO A 46 262.533 261.734 258.650 1.00 0.00 C +ATOM 47 CA GLU A 47 263.262 258.257 260.027 1.00 0.00 C +ATOM 48 CA SER A 48 261.878 258.053 263.571 1.00 0.00 C +ATOM 49 CA SER A 49 264.016 259.970 266.075 1.00 0.00 C +ATOM 50 CA ASP A 50 266.595 258.919 268.675 1.00 0.00 C +ATOM 51 CA VAL A 51 269.316 256.746 267.129 1.00 0.00 C +ATOM 52 CA ASN A 52 268.126 253.127 267.080 1.00 0.00 C +ATOM 53 CA MET A 53 265.514 251.482 264.846 1.00 0.00 C +ATOM 54 CA ASN A 54 264.599 248.701 262.408 1.00 0.00 C +ATOM 55 CA THR A 55 262.947 245.555 261.033 1.00 0.00 C +ATOM 56 CA GLN A 56 263.576 241.803 260.817 1.00 0.00 C +ATOM 57 CA GLU A 57 260.387 239.883 260.008 1.00 0.00 C +ATOM 58 CA GLU A 58 257.731 240.569 257.363 1.00 0.00 C +ATOM 59 CA ASP A 59 254.607 242.364 256.125 1.00 0.00 C +ATOM 60 CA THR A 60 252.322 245.140 257.387 1.00 0.00 C +ATOM 61 CA ASN A 61 252.013 245.531 261.164 1.00 0.00 C +ATOM 62 CA ASP A 62 248.591 246.242 262.681 1.00 0.00 C +ATOM 63 CA ASP A 63 246.627 247.530 265.681 1.00 0.00 C +ATOM 64 CA ALA A 64 243.465 246.288 267.406 1.00 0.00 C +ATOM 65 CA LYS A 65 242.316 244.542 270.592 1.00 0.00 C +ATOM 66 CA GLU A 66 242.590 241.517 272.892 1.00 0.00 C +ATOM 67 CA ASP A 67 243.304 237.776 273.012 1.00 0.00 C +ATOM 68 CA VAL A 68 242.247 234.917 270.727 1.00 0.00 C +ATOM 69 CA GLN A 69 244.569 233.814 267.915 1.00 0.00 C +ATOM 70 CA ASP A 70 248.083 234.166 266.486 1.00 0.00 C +ATOM 71 CA ASN A 71 250.170 230.978 266.505 1.00 0.00 C +ATOM 72 CA GLU A 72 252.271 227.800 266.503 1.00 0.00 C +ATOM 73 CA ALA A 73 252.825 224.491 264.697 1.00 0.00 C +ATOM 74 CA THR A 74 254.425 221.386 266.221 1.00 0.00 C +ATOM 75 CA SER A 75 252.506 218.119 265.824 1.00 0.00 C +ATOM 76 CA MET A 76 250.439 215.244 267.231 1.00 0.00 C +ATOM 77 CA ASP A 77 249.209 211.644 267.033 1.00 0.00 C +ATOM 78 CA VAL A 78 246.817 210.136 264.480 1.00 0.00 C +ATOM 79 CA ASP A 79 246.151 210.192 260.729 1.00 0.00 C +ATOM 80 CA SER A 80 244.849 209.539 257.209 1.00 0.00 C +ATOM 81 CA LYS A 81 245.923 207.626 254.093 1.00 0.00 C +ATOM 82 CA LYS A 82 243.550 207.100 251.159 1.00 0.00 C +ATOM 83 CA PRO A 83 243.553 206.845 247.357 1.00 0.00 C +ATOM 84 CA SER A 84 241.054 209.112 245.588 1.00 0.00 C +ATOM 85 CA SER A 85 241.290 211.500 242.628 1.00 0.00 C +ATOM 86 CA GLY A 86 241.752 213.094 239.199 1.00 0.00 C +ATOM 87 CA ARG A 87 239.377 215.696 237.747 1.00 0.00 C +ATOM 88 CA ILE A 88 241.322 217.994 235.413 1.00 0.00 C +ATOM 89 CA GLU A 89 243.899 220.284 237.034 1.00 0.00 C +ATOM 90 CA LYS A 90 246.901 220.415 234.691 1.00 0.00 C +ATOM 91 CA LYS A 91 247.318 217.766 231.984 1.00 0.00 C +ATOM 92 CA ARG A 92 249.853 217.780 229.139 1.00 0.00 C +ATOM 93 CA VAL A 93 250.094 221.352 227.835 1.00 0.00 C +ATOM 94 CA ASP A 94 247.563 224.178 228.188 1.00 0.00 C +ATOM 95 CA LYS A 95 246.410 226.116 231.259 1.00 0.00 C +ATOM 96 CA ARG A 96 244.456 229.328 231.879 1.00 0.00 C +ATOM 97 CA LYS A 97 242.086 231.413 229.746 1.00 0.00 C +ATOM 98 CA GLN A 98 239.140 232.901 227.843 1.00 0.00 C +ATOM 99 CA LYS A 99 238.825 233.944 224.192 1.00 0.00 C +ATOM 100 CA ALA A 100 241.309 236.790 223.703 1.00 0.00 C +ATOM 101 CA SER A 101 245.111 236.913 223.916 1.00 0.00 C +ATOM 102 CA LYS A 102 248.005 237.777 226.240 1.00 0.00 C +ATOM 103 CA ILE A 103 247.809 240.721 228.650 1.00 0.00 C +ATOM 104 CA VAL A 104 247.377 240.094 232.383 1.00 0.00 C +ATOM 105 CA PHE A 105 246.664 243.317 234.286 1.00 0.00 C +ATOM 106 CA LYS A 106 245.928 245.777 237.101 1.00 0.00 C +ATOM 107 CA SER A 107 244.664 249.155 235.875 1.00 0.00 C +ATOM 108 CA TYR A 108 245.658 252.370 237.661 1.00 0.00 C +ATOM 109 CA GLY A 109 245.536 256.147 237.175 1.00 0.00 C +ATOM 110 CA SER A 110 247.935 258.326 235.172 1.00 0.00 C +ATOM 111 CA ARG A 111 250.893 259.274 232.965 1.00 0.00 C +ATOM 112 CA SER A 112 254.164 257.348 232.634 1.00 0.00 C +ATOM 113 CA LYS A 113 257.169 258.820 234.457 1.00 0.00 C +ATOM 114 CA GLY A 114 259.212 261.283 236.524 1.00 0.00 C +ATOM 115 CA LYS A 115 258.159 264.366 238.499 1.00 0.00 C +ATOM 116 CA LYS A 116 261.096 266.787 238.323 1.00 0.00 C +ATOM 117 CA LYS A 117 262.986 267.861 235.195 1.00 0.00 C +ATOM 118 CA SER A 118 260.883 266.782 232.207 1.00 0.00 C +ATOM 119 CA SER A 119 260.033 263.547 230.383 1.00 0.00 C +TER 120 SER A 119 +END diff --git a/Fungi/A0A8H5MIF0/A0A8H5MIF0.dcd b/Fungi/A0A8H5MIF0/A0A8H5MIF0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..3e3f07806faa1ac396ae8f7a803a2efe11b4e7ce --- /dev/null +++ b/Fungi/A0A8H5MIF0/A0A8H5MIF0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fdd654bffcd3176c7a5cbe2b787e5968ef25299b8b862989e7c402d688aed231 +size 17840276 diff --git a/Fungi/A0A8H5MIF0/top.pdb b/Fungi/A0A8H5MIF0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..61ba31eba0d22b1ecfccc370c94db7e8383d16f8 --- /dev/null +++ b/Fungi/A0A8H5MIF0/top.pdb @@ -0,0 +1,146 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 212.032 281.128 298.348 1.00 0.00 C +ATOM 2 CA SER A 2 212.705 279.960 301.912 1.00 0.00 C +ATOM 3 CA SER A 3 211.686 276.481 303.084 1.00 0.00 C +ATOM 4 CA ALA A 4 214.344 273.992 304.205 1.00 0.00 C +ATOM 5 CA ALA A 5 217.902 274.393 305.506 1.00 0.00 C +ATOM 6 CA LEU A 6 220.460 272.466 303.442 1.00 0.00 C +ATOM 7 CA GLN A 7 219.850 268.705 303.449 1.00 0.00 C +ATOM 8 CA THR A 8 216.729 267.238 301.830 1.00 0.00 C +ATOM 9 CA ALA A 9 217.810 265.943 298.414 1.00 0.00 C +ATOM 10 CA PRO A 10 217.241 268.796 295.954 1.00 0.00 C +ATOM 11 CA HIS A 11 216.866 268.926 292.165 1.00 0.00 C +ATOM 12 CA GLN A 12 214.932 271.512 290.144 1.00 0.00 C +ATOM 13 CA HIS A 13 215.761 273.210 286.836 1.00 0.00 C +ATOM 14 CA THR A 14 219.376 272.516 285.853 1.00 0.00 C +ATOM 15 CA ALA A 15 222.516 274.593 286.437 1.00 0.00 C +ATOM 16 CA LEU A 16 221.412 278.167 287.164 1.00 0.00 C +ATOM 17 CA ALA A 17 224.121 280.345 285.603 1.00 0.00 C +ATOM 18 CA SER A 18 224.889 281.854 282.190 1.00 0.00 C +ATOM 19 CA SER A 19 225.369 285.389 280.854 1.00 0.00 C +ATOM 20 CA PRO A 20 226.726 288.894 281.481 1.00 0.00 C +ATOM 21 CA LEU A 21 227.574 290.288 278.039 1.00 0.00 C +ATOM 22 CA SER A 22 229.034 290.363 274.520 1.00 0.00 C +ATOM 23 CA THR A 23 226.516 291.870 272.090 1.00 0.00 C +ATOM 24 CA PRO A 24 226.642 293.481 268.640 1.00 0.00 C +ATOM 25 CA SER A 25 229.107 291.411 266.603 1.00 0.00 C +ATOM 26 CA SER A 26 231.684 290.632 263.907 1.00 0.00 C +ATOM 27 CA ARG A 27 232.440 287.088 262.729 1.00 0.00 C +ATOM 28 CA GLN A 28 234.759 284.519 264.321 1.00 0.00 C +ATOM 29 CA TYR A 29 236.857 283.770 267.412 1.00 0.00 C +ATOM 30 CA ARG A 30 240.317 282.181 267.553 1.00 0.00 C +ATOM 31 CA PRO A 31 241.430 280.167 264.516 1.00 0.00 C +ATOM 32 CA SER A 32 244.159 278.648 262.333 1.00 0.00 C +ATOM 33 CA HIS A 33 246.273 275.834 263.793 1.00 0.00 C +ATOM 34 CA SER A 34 243.774 273.407 265.335 1.00 0.00 C +ATOM 35 CA SER A 35 241.058 270.863 264.519 1.00 0.00 C +ATOM 36 CA PRO A 36 240.544 267.089 264.623 1.00 0.00 C +ATOM 37 CA ASN A 37 241.715 263.636 263.518 1.00 0.00 C +ATOM 38 CA GLY A 38 240.129 260.175 263.685 1.00 0.00 C +ATOM 39 CA ASN A 39 238.774 257.412 265.931 1.00 0.00 C +ATOM 40 CA GLY A 40 237.413 258.330 269.369 1.00 0.00 C +ATOM 41 CA GLN A 41 238.065 255.906 272.235 1.00 0.00 C +ATOM 42 CA ALA A 42 237.601 252.282 271.155 1.00 0.00 C +ATOM 43 CA TYR A 43 240.040 249.811 269.585 1.00 0.00 C +ATOM 44 CA ASN A 44 243.364 249.253 267.809 1.00 0.00 C +ATOM 45 CA ALA A 45 244.774 251.437 265.024 1.00 0.00 C +ATOM 46 CA GLN A 46 245.847 250.848 261.416 1.00 0.00 C +ATOM 47 CA GLN A 47 249.215 249.107 261.041 1.00 0.00 C +ATOM 48 CA THR A 48 251.462 249.175 264.117 1.00 0.00 C +ATOM 49 CA SER A 49 254.075 246.433 264.529 1.00 0.00 C +ATOM 50 CA THR A 50 254.083 243.082 266.343 1.00 0.00 C +ATOM 51 CA ALA A 51 256.637 243.002 269.169 1.00 0.00 C +ATOM 52 CA SER A 52 259.304 241.237 271.240 1.00 0.00 C +ATOM 53 CA SER A 53 263.047 241.393 271.930 1.00 0.00 C +ATOM 54 CA SER A 54 264.924 238.120 272.459 1.00 0.00 C +ATOM 55 CA SER A 55 266.997 235.879 270.179 1.00 0.00 C +ATOM 56 CA ARG A 56 269.763 233.314 269.639 1.00 0.00 C +ATOM 57 CA ARG A 57 269.027 229.782 270.864 1.00 0.00 C +ATOM 58 CA PRO A 58 266.829 227.457 268.796 1.00 0.00 C +ATOM 59 CA PRO A 59 264.699 225.612 271.361 1.00 0.00 C +ATOM 60 CA SER A 60 263.857 222.338 273.118 1.00 0.00 C +ATOM 61 CA ARG A 61 262.532 219.837 275.669 1.00 0.00 C +ATOM 62 CA LYS A 62 260.084 217.139 274.554 1.00 0.00 C +ATOM 63 CA THR A 63 258.991 216.717 270.928 1.00 0.00 C +ATOM 64 CA ASN A 64 256.882 217.199 267.792 1.00 0.00 C +ATOM 65 CA ASP A 65 258.020 220.061 265.549 1.00 0.00 C +ATOM 66 CA SER A 66 261.210 220.834 263.615 1.00 0.00 C +ATOM 67 CA ALA A 67 264.596 220.039 265.172 1.00 0.00 C +ATOM 68 CA PRO A 68 267.323 221.567 267.350 1.00 0.00 C +ATOM 69 CA SER A 69 271.119 221.888 267.271 1.00 0.00 C +ATOM 70 CA PRO A 70 272.230 223.809 264.175 1.00 0.00 C +ATOM 71 CA SER A 71 271.649 227.554 263.786 1.00 0.00 C +ATOM 72 CA TYR A 72 275.018 229.207 264.445 1.00 0.00 C +ATOM 73 CA HIS A 73 277.506 231.278 262.437 1.00 0.00 C +ATOM 74 CA LEU A 74 278.193 233.629 259.519 1.00 0.00 C +ATOM 75 CA ALA A 75 276.529 235.887 256.940 1.00 0.00 C +ATOM 76 CA PRO A 76 273.789 237.884 255.202 1.00 0.00 C +ATOM 77 CA GLY A 77 274.613 239.954 252.111 1.00 0.00 C +ATOM 78 CA PHE A 78 273.523 241.718 248.915 1.00 0.00 C +ATOM 79 CA GLY A 79 271.939 242.153 245.477 1.00 0.00 C +ATOM 80 CA SER A 80 271.617 240.651 241.991 1.00 0.00 C +ATOM 81 CA PRO A 81 274.587 239.034 240.235 1.00 0.00 C +ATOM 82 CA VAL A 82 276.255 236.404 238.040 1.00 0.00 C +ATOM 83 CA THR A 83 279.395 236.401 235.882 1.00 0.00 C +ATOM 84 CA ALA A 84 282.314 238.207 237.535 1.00 0.00 C +ATOM 85 CA SER A 85 285.124 237.187 239.897 1.00 0.00 C +ATOM 86 CA ALA A 86 287.630 234.677 241.289 1.00 0.00 C +ATOM 87 CA PRO A 87 290.340 232.264 242.450 1.00 0.00 C +ATOM 88 CA ASN A 88 290.374 228.455 242.534 1.00 0.00 C +ATOM 89 CA ASP A 89 287.121 226.506 242.905 1.00 0.00 C +ATOM 90 CA GLN A 90 286.113 222.944 242.003 1.00 0.00 C +ATOM 91 CA GLU A 91 286.044 220.386 239.181 1.00 0.00 C +ATOM 92 CA PRO A 92 284.650 219.273 235.814 1.00 0.00 C +ATOM 93 CA SER A 93 285.388 218.095 232.266 1.00 0.00 C +ATOM 94 CA ALA A 94 283.947 219.290 228.948 1.00 0.00 C +ATOM 95 CA SER A 95 284.092 222.040 226.315 1.00 0.00 C +ATOM 96 CA ALA A 96 281.813 223.119 223.459 1.00 0.00 C +ATOM 97 CA SER A 97 280.705 224.474 220.075 1.00 0.00 C +ATOM 98 CA ASP A 98 278.588 227.119 218.332 1.00 0.00 C +ATOM 99 CA TRP A 99 279.931 230.546 217.346 1.00 0.00 C +ATOM 100 CA GLN A 100 281.634 233.938 217.674 1.00 0.00 C +ATOM 101 CA GLY A 101 280.550 235.910 214.600 1.00 0.00 C +ATOM 102 CA ASN A 102 280.880 237.542 211.173 1.00 0.00 C +ATOM 103 CA MET A 103 281.206 238.435 207.484 1.00 0.00 C +ATOM 104 CA PRO A 104 278.833 236.848 204.961 1.00 0.00 C +ATOM 105 CA PRO A 105 275.196 237.576 204.093 1.00 0.00 C +ATOM 106 CA VAL A 106 273.297 234.430 205.101 1.00 0.00 C +ATOM 107 CA ALA A 107 269.899 232.728 205.369 1.00 0.00 C +ATOM 108 CA PRO A 108 266.097 232.510 205.268 1.00 0.00 C +ATOM 109 CA PRO A 109 263.948 234.162 207.946 1.00 0.00 C +ATOM 110 CA ARG A 110 260.636 232.578 208.965 1.00 0.00 C +ATOM 111 CA THR A 111 258.817 234.746 211.516 1.00 0.00 C +ATOM 112 CA SER A 112 259.193 238.447 210.695 1.00 0.00 C +ATOM 113 CA SER A 113 257.178 240.885 208.571 1.00 0.00 C +ATOM 114 CA ASN A 114 254.050 243.046 208.817 1.00 0.00 C +ATOM 115 CA HIS A 115 252.281 245.350 211.282 1.00 0.00 C +ATOM 116 CA GLN A 116 251.411 249.052 211.046 1.00 0.00 C +ATOM 117 CA SER A 117 248.619 251.252 212.417 1.00 0.00 C +ATOM 118 CA GLY A 118 247.973 254.438 210.430 1.00 0.00 C +ATOM 119 CA SER A 119 248.500 257.980 211.732 1.00 0.00 C +ATOM 120 CA SER A 120 245.964 260.655 210.770 1.00 0.00 C +ATOM 121 CA ARG A 121 242.180 260.974 210.455 1.00 0.00 C +ATOM 122 CA ARG A 122 240.837 260.997 206.889 1.00 0.00 C +ATOM 123 CA SER A 123 239.931 258.190 204.478 1.00 0.00 C +ATOM 124 CA GLN A 124 240.805 254.763 205.893 1.00 0.00 C +ATOM 125 CA TYR A 125 239.750 253.945 209.462 1.00 0.00 C +ATOM 126 CA SER A 126 242.134 254.708 212.335 1.00 0.00 C +ATOM 127 CA ASN A 127 242.182 253.480 215.941 1.00 0.00 C +ATOM 128 CA GLU A 128 239.135 253.915 218.187 1.00 0.00 C +ATOM 129 CA LYS A 129 237.498 254.695 221.538 1.00 0.00 C +ATOM 130 CA SER A 130 234.296 256.725 221.914 1.00 0.00 C +ATOM 131 CA THR A 131 231.728 258.890 223.712 1.00 0.00 C +ATOM 132 CA ASN A 132 228.406 257.334 224.742 1.00 0.00 C +ATOM 133 CA SER A 133 224.948 257.706 223.186 1.00 0.00 C +ATOM 134 CA PRO A 134 222.673 255.183 224.913 1.00 0.00 C +ATOM 135 CA ARG A 135 221.915 253.956 228.439 1.00 0.00 C +ATOM 136 CA ARG A 136 218.577 252.813 229.877 1.00 0.00 C +ATOM 137 CA ASN A 137 215.231 253.452 228.171 1.00 0.00 C +ATOM 138 CA GLU A 138 213.184 256.613 227.592 1.00 0.00 C +ATOM 139 CA SER A 139 209.502 255.637 227.622 1.00 0.00 C +ATOM 140 CA THR A 140 206.648 256.353 225.201 1.00 0.00 C +ATOM 141 CA ARG A 141 203.275 256.220 226.967 1.00 0.00 C +ATOM 142 CA THR A 142 200.696 254.371 224.857 1.00 0.00 C +TER 143 THR A 142 +END diff --git a/Fungi/A0A8H5SXA8/A0A8H5SXA8.dcd b/Fungi/A0A8H5SXA8/A0A8H5SXA8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c42b78b5f20c31453e75417a2740820286ba4dd7 --- /dev/null +++ b/Fungi/A0A8H5SXA8/A0A8H5SXA8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:771b56fb734a413bbfbe91752de7ac626e8c47fa1c438663ec75c4cb7e721090 +size 13400276 diff --git a/Fungi/A0A8H5SXA8/top.pdb b/Fungi/A0A8H5SXA8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7ce782450e084587ed6b77d479ac19d1bb84e003 --- /dev/null +++ b/Fungi/A0A8H5SXA8/top.pdb @@ -0,0 +1,109 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 225.800 277.931 297.479 1.00 0.00 C +ATOM 2 CA CYS A 2 227.781 274.722 298.023 1.00 0.00 C +ATOM 3 CA CYS A 3 228.765 271.114 298.751 1.00 0.00 C +ATOM 4 CA GLY A 4 230.878 267.966 298.371 1.00 0.00 C +ATOM 5 CA GLY A 5 233.637 265.364 298.732 1.00 0.00 C +ATOM 6 CA PHE A 6 233.363 261.687 299.692 1.00 0.00 C +ATOM 7 CA SER A 7 235.397 258.676 300.836 1.00 0.00 C +ATOM 8 CA ARG A 8 237.213 259.553 304.069 1.00 0.00 C +ATOM 9 CA GLY A 9 240.506 257.864 304.975 1.00 0.00 C +ATOM 10 CA GLY A 10 244.195 257.318 305.754 1.00 0.00 C +ATOM 11 CA GLY A 11 247.938 257.957 306.064 1.00 0.00 C +ATOM 12 CA GLY A 12 250.580 259.358 303.703 1.00 0.00 C +ATOM 13 CA GLY A 13 252.201 262.474 302.227 1.00 0.00 C +ATOM 14 CA GLY A 14 254.224 265.506 303.337 1.00 0.00 C +ATOM 15 CA GLY A 15 257.106 267.931 302.764 1.00 0.00 C +ATOM 16 CA GLY A 16 258.915 266.990 299.545 1.00 0.00 C +ATOM 17 CA SER A 17 261.260 264.453 297.940 1.00 0.00 C +ATOM 18 CA PRO A 18 263.185 264.687 294.660 1.00 0.00 C +ATOM 19 CA SER A 19 266.911 264.066 294.165 1.00 0.00 C +ATOM 20 CA VAL A 20 268.681 261.022 295.620 1.00 0.00 C +ATOM 21 CA ASN A 21 268.181 257.350 294.733 1.00 0.00 C +ATOM 22 CA SER A 22 269.549 254.458 292.664 1.00 0.00 C +ATOM 23 CA LEU A 23 269.871 253.187 289.087 1.00 0.00 C +ATOM 24 CA ALA A 24 270.507 249.559 288.113 1.00 0.00 C +ATOM 25 CA ALA A 25 269.623 248.618 284.528 1.00 0.00 C +ATOM 26 CA ALA A 26 267.296 250.942 282.605 1.00 0.00 C +ATOM 27 CA ARG A 27 266.494 250.092 278.978 1.00 0.00 C +ATOM 28 CA ALA A 28 264.243 252.384 276.931 1.00 0.00 C +ATOM 29 CA SER A 29 265.982 252.997 273.597 1.00 0.00 C +ATOM 30 CA GLY A 30 266.361 256.769 273.215 1.00 0.00 C +ATOM 31 CA SER A 31 266.539 260.139 271.447 1.00 0.00 C +ATOM 32 CA THR A 32 266.472 263.286 269.300 1.00 0.00 C +ATOM 33 CA GLN A 33 268.344 264.134 266.092 1.00 0.00 C +ATOM 34 CA GLY A 34 269.070 267.871 265.937 1.00 0.00 C +ATOM 35 CA TRP A 35 266.590 270.759 265.768 1.00 0.00 C +ATOM 36 CA HIS A 36 263.516 269.477 263.919 1.00 0.00 C +ATOM 37 CA LYS A 37 262.220 267.353 261.034 1.00 0.00 C +ATOM 38 CA ARG A 38 261.260 267.758 257.369 1.00 0.00 C +ATOM 39 CA PRO A 39 259.111 268.935 254.452 1.00 0.00 C +ATOM 40 CA PRO A 40 257.822 271.770 252.255 1.00 0.00 C +ATOM 41 CA ARG A 41 254.603 271.301 250.272 1.00 0.00 C +ATOM 42 CA ARG A 42 251.209 272.717 251.268 1.00 0.00 C +ATOM 43 CA LYS A 43 247.947 274.547 251.989 1.00 0.00 C +ATOM 44 CA SER A 44 247.005 276.909 249.151 1.00 0.00 C +ATOM 45 CA GLN A 45 243.395 276.194 248.164 1.00 0.00 C +ATOM 46 CA ARG A 46 240.529 277.082 245.815 1.00 0.00 C +ATOM 47 CA LEU A 47 238.393 278.334 242.920 1.00 0.00 C +ATOM 48 CA LYS A 48 240.172 277.206 239.745 1.00 0.00 C +ATOM 49 CA SER A 49 240.088 278.538 236.176 1.00 0.00 C +ATOM 50 CA ILE A 50 236.817 277.742 234.394 1.00 0.00 C +ATOM 51 CA LYS A 51 236.183 276.593 230.817 1.00 0.00 C +ATOM 52 CA VAL A 52 234.035 273.922 229.152 1.00 0.00 C +ATOM 53 CA GLU A 53 231.484 271.096 229.027 1.00 0.00 C +ATOM 54 CA ALA A 54 233.041 267.676 229.658 1.00 0.00 C +ATOM 55 CA LYS A 55 231.053 264.444 229.994 1.00 0.00 C +ATOM 56 CA THR A 56 232.424 261.349 228.246 1.00 0.00 C +ATOM 57 CA SER A 57 235.383 258.969 228.554 1.00 0.00 C +ATOM 58 CA GLU A 58 238.977 258.789 229.805 1.00 0.00 C +ATOM 59 CA PHE A 59 240.885 261.237 232.015 1.00 0.00 C +ATOM 60 CA LYS A 60 241.397 259.547 235.391 1.00 0.00 C +ATOM 61 CA GLN A 61 243.094 262.168 237.575 1.00 0.00 C +ATOM 62 CA ALA A 62 243.310 262.399 241.372 1.00 0.00 C +ATOM 63 CA ARG A 63 243.341 264.927 244.222 1.00 0.00 C +ATOM 64 CA ASP A 64 240.773 263.596 246.703 1.00 0.00 C +ATOM 65 CA LYS A 65 239.889 261.730 249.904 1.00 0.00 C +ATOM 66 CA GLY A 66 236.186 260.879 249.617 1.00 0.00 C +ATOM 67 CA PHE A 67 235.333 259.824 246.057 1.00 0.00 C +ATOM 68 CA ASP A 68 234.028 257.865 243.061 1.00 0.00 C +ATOM 69 CA GLN A 69 235.177 256.410 239.732 1.00 0.00 C +ATOM 70 CA SER A 70 234.197 253.679 237.264 1.00 0.00 C +ATOM 71 CA PHE A 71 233.602 250.095 236.115 1.00 0.00 C +ATOM 72 CA PHE A 72 236.247 247.604 237.264 1.00 0.00 C +ATOM 73 CA GLY A 73 237.358 244.002 236.714 1.00 0.00 C +ATOM 74 CA ALA A 74 236.766 243.018 233.081 1.00 0.00 C +ATOM 75 CA SER A 75 237.729 241.896 229.570 1.00 0.00 C +ATOM 76 CA ASN A 76 238.333 239.372 226.781 1.00 0.00 C +ATOM 77 CA GLY A 77 236.684 236.046 225.922 1.00 0.00 C +ATOM 78 CA PHE A 78 239.461 233.510 225.309 1.00 0.00 C +ATOM 79 CA ARG A 79 238.242 230.256 226.870 1.00 0.00 C +ATOM 80 CA LYS A 80 235.967 227.264 226.245 1.00 0.00 C +ATOM 81 CA GLY A 81 235.751 223.951 224.377 1.00 0.00 C +ATOM 82 CA LYS A 82 238.048 224.065 221.340 1.00 0.00 C +ATOM 83 CA SER A 83 240.618 225.685 219.040 1.00 0.00 C +ATOM 84 CA LYS A 84 241.620 225.092 215.413 1.00 0.00 C +ATOM 85 CA GLN A 85 245.243 223.928 215.603 1.00 0.00 C +ATOM 86 CA ARG A 86 246.598 222.719 218.953 1.00 0.00 C +ATOM 87 CA ALA A 87 249.236 220.115 219.834 1.00 0.00 C +ATOM 88 CA SER A 88 252.325 221.319 221.712 1.00 0.00 C +ATOM 89 CA ARG A 89 255.665 220.238 220.232 1.00 0.00 C +ATOM 90 CA GLY A 90 258.021 217.436 219.176 1.00 0.00 C +ATOM 91 CA SER A 91 258.500 217.655 215.403 1.00 0.00 C +ATOM 92 CA ASP A 92 260.345 217.015 212.131 1.00 0.00 C +ATOM 93 CA THR A 93 262.238 218.026 208.983 1.00 0.00 C +ATOM 94 CA SER A 94 265.725 217.108 207.753 1.00 0.00 C +ATOM 95 CA ARG A 95 265.946 213.305 207.709 1.00 0.00 C +ATOM 96 CA HIS A 96 265.713 210.121 209.790 1.00 0.00 C +ATOM 97 CA ALA A 97 266.507 208.797 213.273 1.00 0.00 C +ATOM 98 CA MET A 98 268.193 205.402 213.660 1.00 0.00 C +ATOM 99 CA ASN A 99 268.029 203.828 210.194 1.00 0.00 C +ATOM 100 CA GLY A 100 269.690 206.042 207.576 1.00 0.00 C +ATOM 101 CA SER A 101 269.103 204.766 204.034 1.00 0.00 C +ATOM 102 CA THR A 102 270.368 204.211 200.484 1.00 0.00 C +ATOM 103 CA SER A 103 269.181 202.209 197.467 1.00 0.00 C +ATOM 104 CA SER A 104 268.397 200.572 194.118 1.00 0.00 C +ATOM 105 CA TRP A 105 270.614 201.189 191.081 1.00 0.00 C +TER 106 TRP A 105 +END diff --git a/Fungi/A0A8H5TSX5/A0A8H5TSX5.dcd b/Fungi/A0A8H5TSX5/A0A8H5TSX5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a7f3e15e2382d9534fe4ddea665a3c5d09a93a2a --- /dev/null +++ b/Fungi/A0A8H5TSX5/A0A8H5TSX5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7fe7b7461c96a6929b7aba89f274b4e30819e65f09baebe2a207090661e5d3a4 +size 37380276 diff --git a/Fungi/A0A8H5TSX5/top.pdb b/Fungi/A0A8H5TSX5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5092f744f8d70ed4fe4bd29d4b5c29cee98070ac --- /dev/null +++ b/Fungi/A0A8H5TSX5/top.pdb @@ -0,0 +1,205 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 277.024 219.346 236.047 1.00 0.00 C +ATOM 2 CA MET A 2 273.379 218.267 235.795 1.00 0.00 C +ATOM 3 CA SER A 3 271.300 221.219 234.578 1.00 0.00 C +ATOM 4 CA SER A 4 269.836 224.736 234.635 1.00 0.00 C +ATOM 5 CA GLY A 5 270.233 227.933 236.669 1.00 0.00 C +ATOM 6 CA PRO A 6 266.866 229.511 237.501 1.00 0.00 C +ATOM 7 CA LEU A 7 264.991 232.470 236.001 1.00 0.00 C +ATOM 8 CA ARG A 8 264.590 235.639 238.077 1.00 0.00 C +ATOM 9 CA THR A 9 263.719 239.132 236.829 1.00 0.00 C +ATOM 10 CA GLY A 10 263.834 242.637 235.339 1.00 0.00 C +ATOM 11 CA PRO A 11 261.782 245.651 236.443 1.00 0.00 C +ATOM 12 CA SER A 12 257.983 245.444 236.246 1.00 0.00 C +ATOM 13 CA SER A 13 256.016 248.037 238.226 1.00 0.00 C +ATOM 14 CA ARG A 14 256.889 250.826 240.670 1.00 0.00 C +ATOM 15 CA LEU A 15 256.064 250.520 244.377 1.00 0.00 C +ATOM 16 CA GLY A 16 254.407 249.399 247.619 1.00 0.00 C +ATOM 17 CA GLN A 17 254.969 246.355 249.841 1.00 0.00 C +ATOM 18 CA GLY A 18 256.414 246.261 253.365 1.00 0.00 C +ATOM 19 CA SER A 19 257.683 242.715 253.945 1.00 0.00 C +ATOM 20 CA HIS A 20 255.962 239.383 254.615 1.00 0.00 C +ATOM 21 CA PRO A 21 253.401 237.677 252.369 1.00 0.00 C +ATOM 22 CA THR A 22 253.799 233.983 251.525 1.00 0.00 C +ATOM 23 CA ALA A 23 254.807 230.345 251.008 1.00 0.00 C +ATOM 24 CA PRO A 24 253.988 226.977 249.428 1.00 0.00 C +ATOM 25 CA GLY A 25 250.437 225.642 249.068 1.00 0.00 C +ATOM 26 CA ASN A 26 247.509 226.936 251.133 1.00 0.00 C +ATOM 27 CA ASN A 27 245.906 225.761 254.384 1.00 0.00 C +ATOM 28 CA GLN A 28 242.282 226.934 254.295 1.00 0.00 C +ATOM 29 CA SER A 29 238.524 227.123 254.894 1.00 0.00 C +ATOM 30 CA LEU A 30 238.018 229.874 257.481 1.00 0.00 C +ATOM 31 CA LEU A 31 239.838 232.359 259.723 1.00 0.00 C +ATOM 32 CA LEU A 32 240.199 232.942 263.471 1.00 0.00 C +ATOM 33 CA GLU A 33 241.135 231.930 267.022 1.00 0.00 C +ATOM 34 CA LYS A 34 244.358 229.937 266.619 1.00 0.00 C +ATOM 35 CA LEU A 35 244.832 226.773 264.551 1.00 0.00 C +ATOM 36 CA HIS A 36 247.428 226.216 261.818 1.00 0.00 C +ATOM 37 CA ALA A 37 251.051 225.301 261.077 1.00 0.00 C +ATOM 38 CA ARG A 38 253.052 228.290 262.333 1.00 0.00 C +ATOM 39 CA THR A 39 252.612 231.560 264.237 1.00 0.00 C +ATOM 40 CA SER A 40 249.570 233.135 265.906 1.00 0.00 C +ATOM 41 CA THR A 41 247.518 235.447 263.679 1.00 0.00 C +ATOM 42 CA PRO A 42 247.536 237.135 260.263 1.00 0.00 C +ATOM 43 CA ASP A 43 247.893 234.410 257.625 1.00 0.00 C +ATOM 44 CA SER A 44 244.760 233.413 255.700 1.00 0.00 C +ATOM 45 CA GLU A 45 243.147 233.352 252.248 1.00 0.00 C +ATOM 46 CA ALA A 46 239.594 234.426 251.388 1.00 0.00 C +ATOM 47 CA LEU A 47 237.503 237.419 250.299 1.00 0.00 C +ATOM 48 CA ALA A 48 234.451 239.114 251.825 1.00 0.00 C +ATOM 49 CA SER A 49 232.165 239.986 248.905 1.00 0.00 C +ATOM 50 CA SER A 50 229.380 242.551 248.479 1.00 0.00 C +ATOM 51 CA ASP A 51 226.697 240.956 246.294 1.00 0.00 C +ATOM 52 CA ASP A 52 224.448 237.934 245.722 1.00 0.00 C +ATOM 53 CA GLU A 53 226.125 235.625 243.197 1.00 0.00 C +ATOM 54 CA GLY A 54 227.470 233.124 240.658 1.00 0.00 C +ATOM 55 CA GLU A 55 229.274 231.338 237.816 1.00 0.00 C +ATOM 56 CA HIS A 56 229.791 230.573 234.120 1.00 0.00 C +ATOM 57 CA ARG A 57 230.872 229.512 230.624 1.00 0.00 C +ATOM 58 CA TYR A 58 228.888 227.833 227.838 1.00 0.00 C +ATOM 59 CA GLU A 59 231.115 226.932 224.880 1.00 0.00 C +ATOM 60 CA SER A 60 233.888 224.350 224.483 1.00 0.00 C +ATOM 61 CA ALA A 61 237.471 225.269 225.397 1.00 0.00 C +ATOM 62 CA THR A 62 239.398 225.114 222.114 1.00 0.00 C +ATOM 63 CA ALA A 63 240.878 225.885 218.689 1.00 0.00 C +ATOM 64 CA ALA A 64 240.694 228.302 215.750 1.00 0.00 C +ATOM 65 CA SER A 65 240.642 232.109 215.600 1.00 0.00 C +ATOM 66 CA HIS A 66 238.288 234.098 217.840 1.00 0.00 C +ATOM 67 CA SER A 67 235.172 234.318 220.022 1.00 0.00 C +ATOM 68 CA ALA A 68 233.067 237.367 219.134 1.00 0.00 C +ATOM 69 CA SER A 69 231.147 237.121 215.852 1.00 0.00 C +ATOM 70 CA GLN A 70 233.489 236.459 212.921 1.00 0.00 C +ATOM 71 CA PRO A 71 232.620 238.224 209.658 1.00 0.00 C +ATOM 72 CA PRO A 72 230.669 240.326 207.150 1.00 0.00 C +ATOM 73 CA ARG A 73 231.362 239.714 203.454 1.00 0.00 C +ATOM 74 CA PRO A 74 230.031 242.726 201.538 1.00 0.00 C +ATOM 75 CA VAL A 75 231.062 246.056 203.076 1.00 0.00 C +ATOM 76 CA ARG A 76 231.684 247.228 206.648 1.00 0.00 C +ATOM 77 CA ARG A 77 233.742 247.574 209.836 1.00 0.00 C +ATOM 78 CA PRO A 78 236.105 248.150 212.768 1.00 0.00 C +ATOM 79 CA SER A 79 235.559 251.392 214.692 1.00 0.00 C +ATOM 80 CA TRP A 80 238.396 253.255 216.424 1.00 0.00 C +ATOM 81 CA LEU A 81 239.813 256.223 218.347 1.00 0.00 C +ATOM 82 CA ASN A 82 240.842 259.878 218.043 1.00 0.00 C +ATOM 83 CA GLU A 83 239.155 261.720 220.920 1.00 0.00 C +ATOM 84 CA THR A 84 239.543 263.353 224.340 1.00 0.00 C +ATOM 85 CA SER A 85 238.610 266.379 226.459 1.00 0.00 C +ATOM 86 CA GLN A 86 238.540 269.192 229.028 1.00 0.00 C +ATOM 87 CA THR A 87 240.616 269.863 232.152 1.00 0.00 C +ATOM 88 CA LEU A 88 238.888 272.570 234.202 1.00 0.00 C +ATOM 89 CA GLY A 89 241.434 274.199 236.521 1.00 0.00 C +ATOM 90 CA ARG A 90 244.349 276.329 237.737 1.00 0.00 C +ATOM 91 CA PRO A 91 244.729 278.213 241.027 1.00 0.00 C +ATOM 92 CA ARG A 92 245.911 276.357 244.137 1.00 0.00 C +ATOM 93 CA ARG A 93 247.927 273.357 245.342 1.00 0.00 C +ATOM 94 CA GLY A 94 247.386 270.079 243.477 1.00 0.00 C +ATOM 95 CA SER A 95 244.578 268.253 241.662 1.00 0.00 C +ATOM 96 CA ILE A 96 242.350 266.383 239.201 1.00 0.00 C +ATOM 97 CA ALA A 97 243.388 264.064 236.362 1.00 0.00 C +ATOM 98 CA SER A 98 242.417 260.569 235.195 1.00 0.00 C +ATOM 99 CA ASN A 99 239.815 259.067 237.537 1.00 0.00 C +ATOM 100 CA SER A 100 236.733 261.093 238.491 1.00 0.00 C +ATOM 101 CA MET A 101 236.458 262.182 242.132 1.00 0.00 C +ATOM 102 CA SER A 102 238.047 265.380 243.460 1.00 0.00 C +ATOM 103 CA PRO A 103 236.433 267.990 245.717 1.00 0.00 C +ATOM 104 CA THR A 104 234.739 270.430 243.331 1.00 0.00 C +ATOM 105 CA THR A 105 232.601 272.823 245.384 1.00 0.00 C +ATOM 106 CA SER A 106 231.247 276.291 246.196 1.00 0.00 C +ATOM 107 CA HIS A 107 231.607 276.600 249.976 1.00 0.00 C +ATOM 108 CA PRO A 108 234.768 277.300 251.984 1.00 0.00 C +ATOM 109 CA SER A 109 237.654 276.828 254.426 1.00 0.00 C +ATOM 110 CA THR A 110 241.439 277.259 254.532 1.00 0.00 C +ATOM 111 CA PRO A 111 243.809 276.900 251.571 1.00 0.00 C +ATOM 112 CA SER A 112 247.189 278.504 250.848 1.00 0.00 C +ATOM 113 CA GLY A 113 250.782 279.607 250.223 1.00 0.00 C +ATOM 114 CA GLU A 114 253.921 277.856 248.962 1.00 0.00 C +ATOM 115 CA ALA A 115 256.656 280.506 249.080 1.00 0.00 C +ATOM 116 CA GLY A 116 256.649 284.033 250.522 1.00 0.00 C +ATOM 117 CA GLY A 117 257.647 287.258 252.287 1.00 0.00 C +ATOM 118 CA ALA A 118 257.089 290.018 254.854 1.00 0.00 C +ATOM 119 CA TRP A 119 254.220 288.972 257.133 1.00 0.00 C +ATOM 120 CA GLY A 120 253.328 287.008 260.274 1.00 0.00 C +ATOM 121 CA SER A 121 251.697 284.034 262.009 1.00 0.00 C +ATOM 122 CA HIS A 122 254.166 282.416 264.417 1.00 0.00 C +ATOM 123 CA SER A 123 252.490 282.520 267.837 1.00 0.00 C +ATOM 124 CA ALA A 124 250.359 280.931 270.567 1.00 0.00 C +ATOM 125 CA SER A 125 250.675 283.141 273.655 1.00 0.00 C +ATOM 126 CA SER A 126 250.590 283.076 277.463 1.00 0.00 C +ATOM 127 CA VAL A 127 251.057 280.014 279.682 1.00 0.00 C +ATOM 128 CA MET A 128 253.150 280.485 282.831 1.00 0.00 C +ATOM 129 CA GLY A 129 254.426 277.114 284.064 1.00 0.00 C +ATOM 130 CA ARG A 130 253.149 273.887 282.490 1.00 0.00 C +ATOM 131 CA GLY A 131 255.993 272.172 280.624 1.00 0.00 C +ATOM 132 CA SER A 132 256.424 272.326 276.841 1.00 0.00 C +ATOM 133 CA GLY A 133 259.884 271.274 275.643 1.00 0.00 C +ATOM 134 CA ALA A 134 261.299 271.564 272.117 1.00 0.00 C +ATOM 135 CA PRO A 135 263.516 269.022 270.345 1.00 0.00 C +ATOM 136 CA GLY A 136 264.867 265.562 271.193 1.00 0.00 C +ATOM 137 CA PHE A 137 267.389 263.466 269.254 1.00 0.00 C +ATOM 138 CA SER A 138 266.648 262.311 265.700 1.00 0.00 C +ATOM 139 CA TRP A 139 263.551 262.944 263.574 1.00 0.00 C +ATOM 140 CA GLY A 140 260.218 264.653 262.875 1.00 0.00 C +ATOM 141 CA THR A 141 260.320 266.836 259.754 1.00 0.00 C +ATOM 142 CA ALA A 142 261.499 270.432 260.194 1.00 0.00 C +ATOM 143 CA ILE A 143 263.999 271.700 257.614 1.00 0.00 C +ATOM 144 CA TRP A 144 266.635 270.828 255.006 1.00 0.00 C +ATOM 145 CA ASN A 145 268.615 268.607 252.627 1.00 0.00 C +ATOM 146 CA ASN A 146 271.064 265.789 251.865 1.00 0.00 C +ATOM 147 CA GLU A 147 274.829 265.208 251.775 1.00 0.00 C +ATOM 148 CA ARG A 148 276.931 266.802 254.524 1.00 0.00 C +ATOM 149 CA LYS A 149 276.772 269.958 256.653 1.00 0.00 C +ATOM 150 CA ASP A 150 273.701 272.192 256.340 1.00 0.00 C +ATOM 151 CA PRO A 151 271.511 272.122 259.457 1.00 0.00 C +ATOM 152 CA PRO A 152 269.843 270.598 262.525 1.00 0.00 C +ATOM 153 CA SER A 153 267.516 267.799 261.402 1.00 0.00 C +ATOM 154 CA ARG A 154 269.616 264.840 260.239 1.00 0.00 C +ATOM 155 CA LEU A 155 271.598 262.400 258.087 1.00 0.00 C +ATOM 156 CA SER A 156 269.851 259.157 257.114 1.00 0.00 C +ATOM 157 CA GLU A 157 267.865 259.461 253.876 1.00 0.00 C +ATOM 158 CA VAL A 158 269.396 258.102 250.663 1.00 0.00 C +ATOM 159 CA LEU A 159 271.724 260.434 248.750 1.00 0.00 C +ATOM 160 CA PRO A 160 272.589 260.353 245.041 1.00 0.00 C +ATOM 161 CA SER A 161 271.315 257.737 242.581 1.00 0.00 C +ATOM 162 CA PRO A 162 271.951 254.294 241.080 1.00 0.00 C +ATOM 163 CA THR A 163 271.550 251.834 243.962 1.00 0.00 C +ATOM 164 CA SER A 164 269.845 251.310 247.328 1.00 0.00 C +ATOM 165 CA THR A 165 267.646 250.706 250.380 1.00 0.00 C +ATOM 166 CA MET A 166 264.549 252.925 250.344 1.00 0.00 C +ATOM 167 CA PRO A 167 262.132 252.073 253.163 1.00 0.00 C +ATOM 168 CA PRO A 168 258.336 252.085 252.837 1.00 0.00 C +ATOM 169 CA GLY A 169 256.466 252.081 256.157 1.00 0.00 C +ATOM 170 CA GLY A 170 255.238 251.708 259.744 1.00 0.00 C +ATOM 171 CA GLY A 171 252.280 250.787 261.962 1.00 0.00 C +ATOM 172 CA ASN A 172 252.183 247.656 264.131 1.00 0.00 C +ATOM 173 CA SER A 173 252.230 244.056 262.883 1.00 0.00 C +ATOM 174 CA PHE A 174 249.104 242.128 263.895 1.00 0.00 C +ATOM 175 CA PHE A 175 246.526 242.022 266.699 1.00 0.00 C +ATOM 176 CA GLY A 176 244.751 244.137 269.324 1.00 0.00 C +ATOM 177 CA SER A 177 241.524 242.394 270.357 1.00 0.00 C +ATOM 178 CA ASP A 178 240.129 243.206 273.808 1.00 0.00 C +ATOM 179 CA MET A 179 236.873 242.005 275.378 1.00 0.00 C +ATOM 180 CA GLN A 180 235.869 241.888 279.052 1.00 0.00 C +ATOM 181 CA THR A 181 238.779 240.400 281.009 1.00 0.00 C +ATOM 182 CA SER A 182 240.482 237.426 279.344 1.00 0.00 C +ATOM 183 CA PRO A 183 244.270 237.033 279.232 1.00 0.00 C +ATOM 184 CA VAL A 184 245.087 234.561 276.450 1.00 0.00 C +ATOM 185 CA SER A 185 243.418 231.157 276.075 1.00 0.00 C +ATOM 186 CA ARG A 186 246.236 228.644 275.561 1.00 0.00 C +ATOM 187 CA ASP A 187 245.293 224.998 274.988 1.00 0.00 C +ATOM 188 CA PRO A 188 244.992 221.974 272.690 1.00 0.00 C +ATOM 189 CA ALA A 189 246.074 218.574 271.353 1.00 0.00 C +ATOM 190 CA PRO A 190 247.412 218.338 267.793 1.00 0.00 C +ATOM 191 CA ASN A 191 251.202 218.729 267.792 1.00 0.00 C +ATOM 192 CA SER A 192 253.805 216.489 266.141 1.00 0.00 C +ATOM 193 CA GLN A 193 256.480 218.068 263.935 1.00 0.00 C +ATOM 194 CA ILE A 194 258.818 219.889 261.541 1.00 0.00 C +ATOM 195 CA PRO A 195 259.526 223.373 260.172 1.00 0.00 C +ATOM 196 CA PHE A 196 260.473 227.022 259.622 1.00 0.00 C +ATOM 197 CA ALA A 197 263.084 229.206 261.333 1.00 0.00 C +ATOM 198 CA ILE A 198 263.867 229.381 265.058 1.00 0.00 C +ATOM 199 CA PRO A 199 264.380 232.001 267.775 1.00 0.00 C +ATOM 200 CA LEU A 200 261.720 232.169 270.497 1.00 0.00 C +ATOM 201 CA HIS A 201 262.699 234.827 273.045 1.00 0.00 C +TER 202 HIS A 201 +END diff --git a/Fungi/A0A8H6ABG1/A0A8H6ABG1.dcd b/Fungi/A0A8H6ABG1/A0A8H6ABG1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a384a21996553cc32d0211da723b5c20755038ae --- /dev/null +++ b/Fungi/A0A8H6ABG1/A0A8H6ABG1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dad25731c05b6ed4f744c991b40c06041ee330283b630436566a5d7369becb7c +size 24320276 diff --git a/Fungi/A0A8H6ABG1/top.pdb b/Fungi/A0A8H6ABG1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..bc8fc999758d5d8fda8a9a8e5e2af77eb2098f4e --- /dev/null +++ b/Fungi/A0A8H6ABG1/top.pdb @@ -0,0 +1,200 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 258.414 286.044 206.346 1.00 0.00 C +ATOM 2 CA SER A 2 254.951 286.919 205.021 1.00 0.00 C +ATOM 3 CA GLU A 3 252.540 284.597 206.843 1.00 0.00 C +ATOM 4 CA PRO A 4 252.310 283.127 210.350 1.00 0.00 C +ATOM 5 CA GLY A 5 251.488 279.448 209.797 1.00 0.00 C +ATOM 6 CA PRO A 6 250.831 277.654 206.500 1.00 0.00 C +ATOM 7 CA GLU A 7 251.341 276.235 203.002 1.00 0.00 C +ATOM 8 CA SER A 8 248.346 275.447 200.784 1.00 0.00 C +ATOM 9 CA ILE A 9 246.382 272.343 199.770 1.00 0.00 C +ATOM 10 CA PRO A 10 243.374 270.690 198.115 1.00 0.00 C +ATOM 11 CA THR A 11 242.086 273.196 195.550 1.00 0.00 C +ATOM 12 CA SER A 12 243.483 273.428 192.013 1.00 0.00 C +ATOM 13 CA ALA A 13 246.036 270.704 191.253 1.00 0.00 C +ATOM 14 CA ASP A 14 248.696 268.236 192.415 1.00 0.00 C +ATOM 15 CA PRO A 15 248.874 264.445 192.084 1.00 0.00 C +ATOM 16 CA ARG A 16 246.212 261.806 192.766 1.00 0.00 C +ATOM 17 CA SER A 17 246.646 258.128 191.868 1.00 0.00 C +ATOM 18 CA HIS A 18 244.607 255.428 193.620 1.00 0.00 C +ATOM 19 CA ARG A 19 241.067 255.053 194.978 1.00 0.00 C +ATOM 20 CA PRO A 20 238.132 256.918 196.535 1.00 0.00 C +ATOM 21 CA ALA A 21 235.386 254.494 197.584 1.00 0.00 C +ATOM 22 CA LYS A 22 232.093 256.295 196.933 1.00 0.00 C +ATOM 23 CA ARG A 23 229.897 256.646 200.027 1.00 0.00 C +ATOM 24 CA ARG A 24 228.064 259.066 202.330 1.00 0.00 C +ATOM 25 CA ALA A 25 226.165 257.759 205.363 1.00 0.00 C +ATOM 26 CA VAL A 26 226.690 254.378 207.039 1.00 0.00 C +ATOM 27 CA THR A 27 230.064 252.742 207.713 1.00 0.00 C +ATOM 28 CA ALA A 28 232.935 250.544 208.915 1.00 0.00 C +ATOM 29 CA GLN A 29 235.569 249.819 206.260 1.00 0.00 C +ATOM 30 CA SER A 30 236.506 252.887 204.204 1.00 0.00 C +ATOM 31 CA GLU A 31 239.611 254.303 205.899 1.00 0.00 C +ATOM 32 CA GLN A 32 242.517 255.510 208.047 1.00 0.00 C +ATOM 33 CA ALA A 33 242.892 253.300 211.128 1.00 0.00 C +ATOM 34 CA SER A 34 241.575 253.142 214.699 1.00 0.00 C +ATOM 35 CA GLN A 35 238.168 254.814 215.043 1.00 0.00 C +ATOM 36 CA ILE A 36 234.412 255.102 215.611 1.00 0.00 C +ATOM 37 CA ASN A 37 233.159 256.816 218.774 1.00 0.00 C +ATOM 38 CA SER A 38 231.186 254.207 220.727 1.00 0.00 C +ATOM 39 CA LEU A 39 227.614 253.286 221.679 1.00 0.00 C +ATOM 40 CA PHE A 40 224.593 254.563 223.620 1.00 0.00 C +ATOM 41 CA ARG A 41 222.821 255.187 226.934 1.00 0.00 C +ATOM 42 CA ASP A 42 222.243 256.657 230.401 1.00 0.00 C +ATOM 43 CA PRO A 43 222.560 260.440 230.072 1.00 0.00 C +ATOM 44 CA SER A 44 220.212 263.275 231.053 1.00 0.00 C +ATOM 45 CA LYS A 45 219.152 263.321 234.712 1.00 0.00 C +ATOM 46 CA GLU A 46 220.556 261.711 237.867 1.00 0.00 C +ATOM 47 CA ILE A 47 223.905 262.845 239.287 1.00 0.00 C +ATOM 48 CA ARG A 48 227.300 263.161 240.985 1.00 0.00 C +ATOM 49 CA LEU A 49 228.902 266.191 239.322 1.00 0.00 C +ATOM 50 CA PRO A 50 230.290 269.545 240.482 1.00 0.00 C +ATOM 51 CA ASP A 51 233.662 268.785 242.083 1.00 0.00 C +ATOM 52 CA SER A 52 236.734 267.313 240.377 1.00 0.00 C +ATOM 53 CA PHE A 53 239.536 265.071 239.096 1.00 0.00 C +ATOM 54 CA LYS A 54 241.544 262.908 236.687 1.00 0.00 C +ATOM 55 CA GLN A 55 244.445 262.974 234.218 1.00 0.00 C +ATOM 56 CA ARG A 56 247.308 264.666 236.078 1.00 0.00 C +ATOM 57 CA SER A 57 248.422 262.343 238.885 1.00 0.00 C +ATOM 58 CA SER A 58 247.828 263.040 242.584 1.00 0.00 C +ATOM 59 CA ALA A 59 248.215 260.187 245.078 1.00 0.00 C +ATOM 60 CA SER A 60 248.687 256.478 245.812 1.00 0.00 C +ATOM 61 CA LEU A 61 251.560 254.486 247.328 1.00 0.00 C +ATOM 62 CA PRO A 62 250.877 254.118 251.058 1.00 0.00 C +ATOM 63 CA PRO A 63 251.151 255.386 254.640 1.00 0.00 C +ATOM 64 CA PRO A 64 251.097 257.374 257.890 1.00 0.00 C +ATOM 65 CA PRO A 65 252.375 260.770 259.051 1.00 0.00 C +ATOM 66 CA GLU A 66 251.197 262.778 262.067 1.00 0.00 C +ATOM 67 CA ILE A 67 247.580 263.929 262.388 1.00 0.00 C +ATOM 68 CA VAL A 68 244.920 261.643 263.876 1.00 0.00 C +ATOM 69 CA ALA A 69 241.429 262.815 264.852 1.00 0.00 C +ATOM 70 CA ASN A 70 239.096 259.835 264.410 1.00 0.00 C +ATOM 71 CA VAL A 71 236.848 256.943 265.460 1.00 0.00 C +ATOM 72 CA GLN A 72 238.823 253.777 264.694 1.00 0.00 C +ATOM 73 CA GLY A 73 236.818 250.603 265.344 1.00 0.00 C +ATOM 74 CA SER A 74 236.151 249.193 268.820 1.00 0.00 C +ATOM 75 CA SER A 75 237.050 246.821 271.663 1.00 0.00 C +ATOM 76 CA ALA A 76 239.564 245.551 274.229 1.00 0.00 C +ATOM 77 CA GLY A 77 239.364 242.585 276.612 1.00 0.00 C +ATOM 78 CA ALA A 78 240.651 239.252 277.934 1.00 0.00 C +ATOM 79 CA GLY A 79 244.201 240.013 279.090 1.00 0.00 C +ATOM 80 CA SER A 80 247.278 241.229 277.202 1.00 0.00 C +ATOM 81 CA GLY A 81 250.555 239.866 278.588 1.00 0.00 C +ATOM 82 CA GLU A 82 252.558 236.626 278.544 1.00 0.00 C +ATOM 83 CA PHE A 83 256.109 235.245 278.600 1.00 0.00 C +ATOM 84 CA HIS A 84 257.084 234.544 282.216 1.00 0.00 C +ATOM 85 CA VAL A 85 258.929 236.525 284.896 1.00 0.00 C +ATOM 86 CA TYR A 86 260.067 239.911 286.223 1.00 0.00 C +ATOM 87 CA LYS A 87 263.801 240.098 286.957 1.00 0.00 C +ATOM 88 CA ALA A 88 264.226 238.979 290.574 1.00 0.00 C +ATOM 89 CA SER A 89 261.902 240.366 293.256 1.00 0.00 C +ATOM 90 CA ARG A 90 261.804 242.756 296.222 1.00 0.00 C +ATOM 91 CA ARG A 91 264.315 244.989 298.018 1.00 0.00 C +ATOM 92 CA ARG A 92 266.577 247.230 295.926 1.00 0.00 C +ATOM 93 CA GLU A 93 270.237 248.076 296.563 1.00 0.00 C +ATOM 94 CA TYR A 94 272.901 245.362 296.794 1.00 0.00 C +ATOM 95 CA GLU A 95 274.586 245.886 300.171 1.00 0.00 C +ATOM 96 CA ARG A 96 277.600 244.788 302.227 1.00 0.00 C +ATOM 97 CA ILE A 97 279.981 242.162 300.831 1.00 0.00 C +ATOM 98 CA ARG A 98 280.744 239.260 298.483 1.00 0.00 C +ATOM 99 CA MET A 99 279.255 237.150 295.682 1.00 0.00 C +ATOM 100 CA MET A 100 275.912 235.583 296.622 1.00 0.00 C +ATOM 101 CA GLU A 101 274.502 233.014 294.188 1.00 0.00 C +ATOM 102 CA SER A 102 272.185 230.643 296.066 1.00 0.00 C +ATOM 103 CA GLU A 103 270.932 227.334 294.654 1.00 0.00 C +ATOM 104 CA VAL A 104 271.283 225.370 291.408 1.00 0.00 C +ATOM 105 CA SER A 105 272.467 221.910 292.479 1.00 0.00 C +ATOM 106 CA LYS A 106 269.369 219.692 292.511 1.00 0.00 C +ATOM 107 CA GLU A 107 268.702 218.111 289.110 1.00 0.00 C +ATOM 108 CA LYS A 108 267.202 215.006 287.490 1.00 0.00 C +ATOM 109 CA GLU A 109 264.340 213.102 285.847 1.00 0.00 C +ATOM 110 CA ASP A 110 262.883 210.722 283.253 1.00 0.00 C +ATOM 111 CA GLN A 111 259.912 208.339 283.156 1.00 0.00 C +ATOM 112 CA ASP A 112 256.435 209.335 284.354 1.00 0.00 C +ATOM 113 CA TRP A 113 255.262 212.397 282.413 1.00 0.00 C +ATOM 114 CA GLU A 114 256.331 214.382 279.342 1.00 0.00 C +ATOM 115 CA ARG A 115 255.881 216.504 276.210 1.00 0.00 C +ATOM 116 CA GLN A 116 258.532 219.239 276.295 1.00 0.00 C +ATOM 117 CA ARG A 117 261.656 218.942 278.456 1.00 0.00 C +ATOM 118 CA GLU A 118 262.871 222.443 279.340 1.00 0.00 C +ATOM 119 CA GLU A 119 262.341 225.555 281.472 1.00 0.00 C +ATOM 120 CA ALA A 120 262.343 227.960 284.428 1.00 0.00 C +ATOM 121 CA ARG A 121 260.127 227.709 287.517 1.00 0.00 C +ATOM 122 CA ARG A 122 259.832 231.173 289.074 1.00 0.00 C +ATOM 123 CA LYS A 123 263.444 232.329 289.438 1.00 0.00 C +ATOM 124 CA ASP A 124 266.521 231.126 287.540 1.00 0.00 C +ATOM 125 CA ASP A 125 268.765 232.503 284.786 1.00 0.00 C +ATOM 126 CA GLU A 126 266.881 234.106 281.888 1.00 0.00 C +ATOM 127 CA LYS A 127 265.373 236.918 279.806 1.00 0.00 C +ATOM 128 CA THR A 128 263.191 239.452 277.980 1.00 0.00 C +ATOM 129 CA ALA A 129 263.257 238.379 274.325 1.00 0.00 C +ATOM 130 CA LYS A 130 266.370 236.741 272.861 1.00 0.00 C +ATOM 131 CA ASN A 131 267.797 234.984 269.796 1.00 0.00 C +ATOM 132 CA ARG A 132 268.140 231.297 270.693 1.00 0.00 C +ATOM 133 CA LYS A 133 264.596 229.930 270.986 1.00 0.00 C +ATOM 134 CA ARG A 134 263.744 228.152 267.725 1.00 0.00 C +ATOM 135 CA ARG A 135 266.114 226.664 265.140 1.00 0.00 C +ATOM 136 CA GLU A 136 264.066 224.176 263.108 1.00 0.00 C +ATOM 137 CA LYS A 137 263.969 222.534 259.671 1.00 0.00 C +ATOM 138 CA ARG A 138 265.297 225.184 257.278 1.00 0.00 C +ATOM 139 CA ASN A 139 267.428 227.117 254.780 1.00 0.00 C +ATOM 140 CA ALA A 140 271.030 225.874 254.784 1.00 0.00 C +ATOM 141 CA ALA A 141 271.485 222.098 254.563 1.00 0.00 C +ATOM 142 CA LYS A 142 269.166 219.676 252.755 1.00 0.00 C +ATOM 143 CA ASN A 143 266.030 220.865 250.946 1.00 0.00 C +ATOM 144 CA LYS A 144 263.060 223.055 250.000 1.00 0.00 C +ATOM 145 CA ILE A 145 263.709 225.568 247.211 1.00 0.00 C +ATOM 146 CA LYS A 146 261.109 226.279 244.518 1.00 0.00 C +ATOM 147 CA PRO A 147 261.263 228.028 241.137 1.00 0.00 C +ATOM 148 CA THR A 148 260.091 226.841 237.712 1.00 0.00 C +ATOM 149 CA SER A 149 258.537 227.793 234.366 1.00 0.00 C +ATOM 150 CA SER A 150 255.788 229.067 232.056 1.00 0.00 C +ATOM 151 CA ASN A 151 252.974 231.626 231.825 1.00 0.00 C +ATOM 152 CA GLY A 152 250.402 233.588 229.812 1.00 0.00 C +ATOM 153 CA LYS A 153 250.390 237.357 229.257 1.00 0.00 C +ATOM 154 CA GLY A 154 248.304 240.545 229.166 1.00 0.00 C +ATOM 155 CA PRO A 155 247.026 242.661 226.267 1.00 0.00 C +ATOM 156 CA ALA A 156 243.535 244.138 226.649 1.00 0.00 C +ATOM 157 CA MET A 157 240.580 246.540 226.546 1.00 0.00 C +ATOM 158 CA LEU A 158 237.898 249.204 226.068 1.00 0.00 C +ATOM 159 CA ALA A 159 237.518 251.453 229.120 1.00 0.00 C +ATOM 160 CA GLY A 160 238.513 254.501 231.179 1.00 0.00 C +ATOM 161 CA ASP A 161 238.610 255.296 234.903 1.00 0.00 C +ATOM 162 CA GLY A 162 238.258 256.013 238.629 1.00 0.00 C +ATOM 163 CA PRO A 163 235.501 258.504 239.472 1.00 0.00 C +ATOM 164 CA THR A 164 231.829 257.922 240.306 1.00 0.00 C +ATOM 165 CA LYS A 165 231.345 257.683 244.078 1.00 0.00 C +ATOM 166 CA GLY A 166 231.939 260.088 246.973 1.00 0.00 C +ATOM 167 CA ALA A 167 231.860 259.213 250.680 1.00 0.00 C +ATOM 168 CA LEU A 168 234.476 261.208 252.601 1.00 0.00 C +ATOM 169 CA SER A 169 237.210 263.834 252.218 1.00 0.00 C +ATOM 170 CA GLY A 170 240.496 265.249 250.907 1.00 0.00 C +ATOM 171 CA PHE A 171 240.791 268.959 250.091 1.00 0.00 C +ATOM 172 CA ASP A 172 237.902 271.274 250.992 1.00 0.00 C +ATOM 173 CA LYS A 173 234.509 272.808 250.184 1.00 0.00 C +ATOM 174 CA ASN A 174 233.743 275.535 252.731 1.00 0.00 C +ATOM 175 CA ARG A 175 231.089 276.022 255.422 1.00 0.00 C +ATOM 176 CA ASP A 176 232.028 276.277 259.105 1.00 0.00 C +ATOM 177 CA GLU A 177 231.135 273.164 261.112 1.00 0.00 C +ATOM 178 CA ASP A 178 232.287 269.534 261.214 1.00 0.00 C +ATOM 179 CA GLN A 179 234.042 267.459 258.543 1.00 0.00 C +ATOM 180 CA SER A 180 237.234 268.231 256.612 1.00 0.00 C +ATOM 181 CA LEU A 181 240.098 267.554 259.032 1.00 0.00 C +ATOM 182 CA PRO A 182 243.234 269.418 257.932 1.00 0.00 C +ATOM 183 CA VAL A 183 244.836 268.728 254.545 1.00 0.00 C +ATOM 184 CA ASP A 184 247.104 265.673 254.343 1.00 0.00 C +ATOM 185 CA ALA A 185 250.623 265.749 252.884 1.00 0.00 C +ATOM 186 CA VAL A 186 251.571 264.131 249.567 1.00 0.00 C +ATOM 187 CA GLU A 187 255.126 262.810 249.926 1.00 0.00 C +ATOM 188 CA GLN A 188 257.269 265.907 250.507 1.00 0.00 C +ATOM 189 CA PRO A 189 258.615 269.447 250.089 1.00 0.00 C +ATOM 190 CA GLY A 190 262.042 269.917 248.492 1.00 0.00 C +ATOM 191 CA VAL A 191 263.396 273.310 247.410 1.00 0.00 C +ATOM 192 CA ILE A 192 266.233 275.657 248.390 1.00 0.00 C +ATOM 193 CA ILE A 193 268.979 278.062 249.479 1.00 0.00 C +ATOM 194 CA HIS A 194 270.754 281.331 248.654 1.00 0.00 C +ATOM 195 CA GLU A 195 273.449 284.008 248.954 1.00 0.00 C +ATOM 196 CA ASP A 196 275.231 286.675 251.010 1.00 0.00 C +TER 197 ASP A 196 +END diff --git a/Fungi/A0A8H6EET1/A0A8H6EET1.dcd b/Fungi/A0A8H6EET1/A0A8H6EET1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..6a54079db381ac78d8fba9682b3bc362f96107e2 --- /dev/null +++ b/Fungi/A0A8H6EET1/A0A8H6EET1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1151138d4f0f7bbdd85d6d4581df940e29556e7508eca2326bad125971bfe614 +size 12320276 diff --git a/Fungi/A0A8H6EET1/top.pdb b/Fungi/A0A8H6EET1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..37fa15362dc296a970a7ca2d6ec9123e9607a140 --- /dev/null +++ b/Fungi/A0A8H6EET1/top.pdb @@ -0,0 +1,100 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 240.915 220.948 238.442 1.00 0.00 C +ATOM 2 CA SER A 2 241.892 224.576 237.816 1.00 0.00 C +ATOM 3 CA GLY A 3 239.300 226.822 236.157 1.00 0.00 C +ATOM 4 CA ARG A 4 240.341 230.242 234.839 1.00 0.00 C +ATOM 5 CA ALA A 5 240.214 233.805 233.495 1.00 0.00 C +ATOM 6 CA SER A 6 240.611 233.737 229.707 1.00 0.00 C +ATOM 7 CA LEU A 7 237.073 234.089 228.336 1.00 0.00 C +ATOM 8 CA SER A 8 235.894 234.276 224.718 1.00 0.00 C +ATOM 9 CA PRO A 9 235.415 230.867 223.085 1.00 0.00 C +ATOM 10 CA SER A 10 232.602 229.686 220.803 1.00 0.00 C +ATOM 11 CA ALA A 11 234.082 226.800 218.803 1.00 0.00 C +ATOM 12 CA ALA A 12 232.475 223.711 217.257 1.00 0.00 C +ATOM 13 CA ASP A 13 231.417 220.551 219.105 1.00 0.00 C +ATOM 14 CA ASN A 14 228.548 220.781 221.600 1.00 0.00 C +ATOM 15 CA GLU A 15 229.121 223.969 223.607 1.00 0.00 C +ATOM 16 CA PRO A 16 227.280 223.352 226.885 1.00 0.00 C +ATOM 17 CA ALA A 17 228.508 223.950 230.441 1.00 0.00 C +ATOM 18 CA SER A 18 231.936 223.392 232.007 1.00 0.00 C +ATOM 19 CA ARG A 19 234.909 223.102 234.372 1.00 0.00 C +ATOM 20 CA PRO A 20 233.893 223.521 238.020 1.00 0.00 C +ATOM 21 CA LEU A 21 232.616 225.478 241.029 1.00 0.00 C +ATOM 22 CA ASP A 22 235.625 226.505 243.130 1.00 0.00 C +ATOM 23 CA GLY A 23 236.439 230.113 242.218 1.00 0.00 C +ATOM 24 CA HIS A 24 234.134 232.932 243.340 1.00 0.00 C +ATOM 25 CA ALA A 25 230.836 233.188 245.232 1.00 0.00 C +ATOM 26 CA ASN A 26 230.578 231.382 248.577 1.00 0.00 C +ATOM 27 CA ILE A 27 232.836 229.728 251.162 1.00 0.00 C +ATOM 28 CA ASP A 28 236.480 228.770 251.728 1.00 0.00 C +ATOM 29 CA GLU A 29 240.200 227.947 251.701 1.00 0.00 C +ATOM 30 CA ILE A 30 243.033 230.489 251.858 1.00 0.00 C +ATOM 31 CA ALA A 31 243.417 232.438 255.109 1.00 0.00 C +ATOM 32 CA GLU A 32 246.860 232.740 256.711 1.00 0.00 C +ATOM 33 CA ALA A 33 250.320 234.192 257.375 1.00 0.00 C +ATOM 34 CA GLU A 34 251.492 234.851 260.940 1.00 0.00 C +ATOM 35 CA PRO A 35 252.498 233.890 264.487 1.00 0.00 C +ATOM 36 CA PRO A 36 256.294 234.004 264.792 1.00 0.00 C +ATOM 37 CA PRO A 37 259.476 234.450 266.838 1.00 0.00 C +ATOM 38 CA GLU A 38 258.900 233.760 270.541 1.00 0.00 C +ATOM 39 CA SER A 39 256.070 231.392 271.491 1.00 0.00 C +ATOM 40 CA PRO A 40 252.583 230.372 272.637 1.00 0.00 C +ATOM 41 CA GLN A 41 250.176 228.608 275.005 1.00 0.00 C +ATOM 42 CA SER A 42 246.681 227.613 276.151 1.00 0.00 C +ATOM 43 CA PRO A 43 243.814 230.055 275.574 1.00 0.00 C +ATOM 44 CA ALA A 44 241.199 231.494 273.206 1.00 0.00 C +ATOM 45 CA PRO A 45 238.008 233.400 274.043 1.00 0.00 C +ATOM 46 CA ALA A 46 238.423 235.430 277.240 1.00 0.00 C +ATOM 47 CA PRO A 47 240.379 238.343 278.726 1.00 0.00 C +ATOM 48 CA VAL A 48 241.933 240.163 275.762 1.00 0.00 C +ATOM 49 CA LEU A 49 244.563 238.544 273.530 1.00 0.00 C +ATOM 50 CA THR A 50 247.486 240.978 273.307 1.00 0.00 C +ATOM 51 CA LYS A 51 250.156 243.662 272.881 1.00 0.00 C +ATOM 52 CA LYS A 52 252.573 246.601 272.690 1.00 0.00 C +ATOM 53 CA LYS A 53 255.956 248.343 272.494 1.00 0.00 C +ATOM 54 CA ARG A 54 258.101 251.491 272.512 1.00 0.00 C +ATOM 55 CA LYS A 55 260.194 254.438 273.718 1.00 0.00 C +ATOM 56 CA GLN A 56 262.644 257.242 272.914 1.00 0.00 C +ATOM 57 CA ARG A 57 262.955 257.229 269.117 1.00 0.00 C +ATOM 58 CA GLN A 58 265.755 258.020 266.658 1.00 0.00 C +ATOM 59 CA SER A 59 266.760 261.691 266.835 1.00 0.00 C +ATOM 60 CA GLN A 60 265.203 265.091 266.106 1.00 0.00 C +ATOM 61 CA ARG A 61 261.915 266.864 266.856 1.00 0.00 C +ATOM 62 CA LYS A 62 258.266 265.922 266.296 1.00 0.00 C +ATOM 63 CA LYS A 63 258.130 263.365 263.475 1.00 0.00 C +ATOM 64 CA GLY A 64 259.715 263.183 260.015 1.00 0.00 C +ATOM 65 CA GLN A 65 260.576 265.724 257.310 1.00 0.00 C +ATOM 66 CA GLN A 66 261.075 266.006 253.543 1.00 0.00 C +ATOM 67 CA PRO A 67 260.259 267.959 250.375 1.00 0.00 C +ATOM 68 CA THR A 68 261.310 271.311 248.900 1.00 0.00 C +ATOM 69 CA ARG A 69 261.254 273.436 245.738 1.00 0.00 C +ATOM 70 CA ARG A 70 261.334 270.889 242.906 1.00 0.00 C +ATOM 71 CA SER A 71 258.197 269.008 241.839 1.00 0.00 C +ATOM 72 CA ALA A 72 254.968 269.006 239.816 1.00 0.00 C +ATOM 73 CA ARG A 73 254.849 271.770 237.196 1.00 0.00 C +ATOM 74 CA VAL A 74 255.430 275.261 238.607 1.00 0.00 C +ATOM 75 CA LYS A 75 252.592 275.771 241.097 1.00 0.00 C +ATOM 76 CA GLN A 76 251.693 278.884 243.101 1.00 0.00 C +ATOM 77 CA GLN A 77 254.488 281.471 242.999 1.00 0.00 C +ATOM 78 CA GLN A 78 253.861 284.264 240.486 1.00 0.00 C +ATOM 79 CA VAL A 79 257.061 286.307 240.169 1.00 0.00 C +ATOM 80 CA GLN A 80 257.729 288.803 242.969 1.00 0.00 C +ATOM 81 CA ALA A 81 257.056 287.096 246.308 1.00 0.00 C +ATOM 82 CA ARG A 82 259.056 283.870 246.638 1.00 0.00 C +ATOM 83 CA ILE A 83 261.395 283.487 249.621 1.00 0.00 C +ATOM 84 CA GLN A 84 263.263 280.221 250.218 1.00 0.00 C +ATOM 85 CA SER A 85 267.043 280.116 249.755 1.00 0.00 C +ATOM 86 CA THR A 86 269.622 277.398 249.064 1.00 0.00 C +ATOM 87 CA ARG A 87 272.282 274.830 248.145 1.00 0.00 C +ATOM 88 CA GLN A 88 271.151 273.380 244.809 1.00 0.00 C +ATOM 89 CA ALA A 89 267.432 273.788 244.089 1.00 0.00 C +ATOM 90 CA LEU A 90 266.275 276.737 241.972 1.00 0.00 C +ATOM 91 CA ALA A 91 263.218 277.839 239.983 1.00 0.00 C +ATOM 92 CA SER A 92 261.387 281.019 241.009 1.00 0.00 C +ATOM 93 CA GLY A 93 263.554 283.880 239.732 1.00 0.00 C +ATOM 94 CA ASP A 94 265.526 286.855 238.398 1.00 0.00 C +ATOM 95 CA ARG A 95 264.933 288.206 234.886 1.00 0.00 C +ATOM 96 CA ARG A 96 262.034 286.842 232.824 1.00 0.00 C +TER 97 ARG A 96 +END diff --git a/Fungi/A0A8H6IL67/A0A8H6IL67.dcd b/Fungi/A0A8H6IL67/A0A8H6IL67.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a9f7e1defd4bb3b7e8dffdaa26e2e0e31a21bbdc --- /dev/null +++ b/Fungi/A0A8H6IL67/A0A8H6IL67.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3e006d263a13605c38d8ee1e1e9b2ca76d9dabd276f84732113ec40a3c0a6f1f +size 10160276 diff --git a/Fungi/A0A8H6IL67/top.pdb b/Fungi/A0A8H6IL67/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..999fddd146ec5b8d9f26072ef59fe80afd4fe508 --- /dev/null +++ b/Fungi/A0A8H6IL67/top.pdb @@ -0,0 +1,82 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 252.743 259.035 251.524 1.00 0.00 C +ATOM 2 CA ASP A 2 251.929 258.787 247.811 1.00 0.00 C +ATOM 3 CA GLU A 3 250.867 262.038 246.131 1.00 0.00 C +ATOM 4 CA SER A 4 252.754 264.320 243.733 1.00 0.00 C +ATOM 5 CA ARG A 5 250.976 267.209 241.999 1.00 0.00 C +ATOM 6 CA THR A 6 249.673 270.746 241.443 1.00 0.00 C +ATOM 7 CA VAL A 7 250.950 272.869 238.549 1.00 0.00 C +ATOM 8 CA GLU A 8 253.928 275.237 238.336 1.00 0.00 C +ATOM 9 CA GLU A 9 255.595 277.749 240.664 1.00 0.00 C +ATOM 10 CA LEU A 10 254.824 281.257 241.936 1.00 0.00 C +ATOM 11 CA ARG A 11 252.847 281.565 245.178 1.00 0.00 C +ATOM 12 CA ARG A 12 252.045 278.799 247.673 1.00 0.00 C +ATOM 13 CA LEU A 13 253.955 279.497 250.895 1.00 0.00 C +ATOM 14 CA LEU A 14 257.409 280.517 252.139 1.00 0.00 C +ATOM 15 CA GLN A 15 260.203 279.276 254.413 1.00 0.00 C +ATOM 16 CA GLN A 16 261.297 275.638 254.121 1.00 0.00 C +ATOM 17 CA ALA A 17 262.867 272.247 253.382 1.00 0.00 C +ATOM 18 CA LYS A 18 265.092 269.498 251.964 1.00 0.00 C +ATOM 19 CA GLU A 19 266.094 266.655 249.634 1.00 0.00 C +ATOM 20 CA ARG A 20 267.091 264.619 246.572 1.00 0.00 C +ATOM 21 CA ALA A 21 267.144 260.809 246.579 1.00 0.00 C +ATOM 22 CA LYS A 22 267.616 258.589 243.519 1.00 0.00 C +ATOM 23 CA ALA A 23 268.317 260.404 240.243 1.00 0.00 C +ATOM 24 CA GLU A 24 265.137 261.211 238.306 1.00 0.00 C +ATOM 25 CA GLN A 25 262.617 263.164 240.392 1.00 0.00 C +ATOM 26 CA GLN A 26 259.334 261.250 240.107 1.00 0.00 C +ATOM 27 CA ARG A 27 256.925 258.388 239.384 1.00 0.00 C +ATOM 28 CA ALA A 28 253.172 258.421 238.727 1.00 0.00 C +ATOM 29 CA GLU A 29 251.649 255.075 237.728 1.00 0.00 C +ATOM 30 CA ALA A 30 250.205 251.894 239.249 1.00 0.00 C +ATOM 31 CA ALA A 31 249.242 249.275 236.655 1.00 0.00 C +ATOM 32 CA GLU A 32 247.168 246.668 234.806 1.00 0.00 C +ATOM 33 CA ARG A 33 244.825 243.931 236.045 1.00 0.00 C +ATOM 34 CA ASP A 34 241.720 241.796 235.478 1.00 0.00 C +ATOM 35 CA ARG A 35 239.207 241.061 238.246 1.00 0.00 C +ATOM 36 CA GLN A 36 239.122 241.947 241.950 1.00 0.00 C +ATOM 37 CA GLN A 37 240.328 241.187 245.484 1.00 0.00 C +ATOM 38 CA GLU A 38 243.548 242.664 246.886 1.00 0.00 C +ATOM 39 CA ARG A 39 247.100 243.403 248.049 1.00 0.00 C +ATOM 40 CA GLN A 40 249.168 243.898 244.888 1.00 0.00 C +ATOM 41 CA ARG A 41 252.650 243.896 243.340 1.00 0.00 C +ATOM 42 CA ALA A 42 254.876 246.077 241.148 1.00 0.00 C +ATOM 43 CA ASP A 43 257.759 248.172 242.496 1.00 0.00 C +ATOM 44 CA ALA A 44 259.065 248.404 246.067 1.00 0.00 C +ATOM 45 CA GLU A 45 260.523 245.435 247.957 1.00 0.00 C +ATOM 46 CA ARG A 46 260.454 242.637 250.543 1.00 0.00 C +ATOM 47 CA GLN A 47 260.012 239.022 249.425 1.00 0.00 C +ATOM 48 CA ARG A 48 260.540 236.738 246.422 1.00 0.00 C +ATOM 49 CA ALA A 49 259.259 235.543 243.038 1.00 0.00 C +ATOM 50 CA GLU A 50 257.117 237.969 241.027 1.00 0.00 C +ATOM 51 CA ALA A 51 253.579 237.451 242.341 1.00 0.00 C +ATOM 52 CA GLU A 52 251.025 234.936 243.632 1.00 0.00 C +ATOM 53 CA ARG A 53 249.175 232.474 241.389 1.00 0.00 C +ATOM 54 CA GLN A 54 247.154 233.131 238.227 1.00 0.00 C +ATOM 55 CA ARG A 55 244.856 236.093 238.909 1.00 0.00 C +ATOM 56 CA ALA A 56 244.821 237.458 242.465 1.00 0.00 C +ATOM 57 CA GLU A 57 244.963 236.060 246.007 1.00 0.00 C +ATOM 58 CA ALA A 58 243.326 232.619 246.033 1.00 0.00 C +ATOM 59 CA ALA A 59 239.965 232.338 247.805 1.00 0.00 C +ATOM 60 CA GLU A 60 240.518 231.585 251.499 1.00 0.00 C +ATOM 61 CA ARG A 61 238.955 228.535 253.163 1.00 0.00 C +ATOM 62 CA ASP A 62 238.075 228.994 256.842 1.00 0.00 C +ATOM 63 CA ARG A 63 236.394 228.910 260.260 1.00 0.00 C +ATOM 64 CA GLN A 64 238.631 230.823 262.680 1.00 0.00 C +ATOM 65 CA GLN A 65 239.813 231.882 266.143 1.00 0.00 C +ATOM 66 CA GLU A 66 243.037 233.676 267.094 1.00 0.00 C +ATOM 67 CA ARG A 67 242.764 236.848 269.187 1.00 0.00 C +ATOM 68 CA GLN A 68 241.271 236.627 272.685 1.00 0.00 C +ATOM 69 CA ARG A 69 239.365 234.030 274.720 1.00 0.00 C +ATOM 70 CA ALA A 70 236.813 233.235 277.435 1.00 0.00 C +ATOM 71 CA ASP A 71 234.582 235.636 279.379 1.00 0.00 C +ATOM 72 CA GLU A 72 234.190 239.075 280.970 1.00 0.00 C +ATOM 73 CA ALA A 73 234.461 241.627 278.154 1.00 0.00 C +ATOM 74 CA GLU A 74 237.740 242.385 276.369 1.00 0.00 C +ATOM 75 CA GLN A 75 240.782 242.983 274.154 1.00 0.00 C +ATOM 76 CA GLN A 76 240.477 245.759 271.563 1.00 0.00 C +ATOM 77 CA THR A 77 237.381 247.719 270.520 1.00 0.00 C +ATOM 78 CA GLN A 78 236.952 250.626 268.094 1.00 0.00 C +TER 79 GLN A 78 +END diff --git a/Fungi/A0A8H6IYW7/A0A8H6IYW7.dcd b/Fungi/A0A8H6IYW7/A0A8H6IYW7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..040e1b284577f24c26ccb5b507e7d61d24cf822d --- /dev/null +++ b/Fungi/A0A8H6IYW7/A0A8H6IYW7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:06d80e57b72be72a152dbeb4e694691d098d9bdd3df10499cb8e06dea7437049 +size 7760276 diff --git a/Fungi/A0A8H6IYW7/top.pdb b/Fungi/A0A8H6IYW7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e08640e774df7d3d91280d04db4ae0b0bf31af5e --- /dev/null +++ b/Fungi/A0A8H6IYW7/top.pdb @@ -0,0 +1,62 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 255.446 280.439 231.889 1.00 0.00 C +ATOM 2 CA SER A 2 257.626 280.375 235.013 1.00 0.00 C +ATOM 3 CA ALA A 3 255.769 279.602 238.249 1.00 0.00 C +ATOM 4 CA GLU A 4 254.985 276.700 240.589 1.00 0.00 C +ATOM 5 CA HIS A 5 253.461 275.740 243.946 1.00 0.00 C +ATOM 6 CA ASN A 6 254.693 273.154 246.458 1.00 0.00 C +ATOM 7 CA PRO A 7 257.675 271.475 248.134 1.00 0.00 C +ATOM 8 CA ASN A 8 258.140 267.889 246.935 1.00 0.00 C +ATOM 9 CA ASP A 9 255.859 264.838 247.001 1.00 0.00 C +ATOM 10 CA GLY A 10 254.683 262.096 249.371 1.00 0.00 C +ATOM 11 CA SER A 11 252.593 261.253 252.443 1.00 0.00 C +ATOM 12 CA TRP A 12 251.392 263.796 255.014 1.00 0.00 C +ATOM 13 CA ASP A 13 250.653 267.391 256.036 1.00 0.00 C +ATOM 14 CA ALA A 14 249.212 270.288 258.047 1.00 0.00 C +ATOM 15 CA ASP A 15 250.538 271.071 261.532 1.00 0.00 C +ATOM 16 CA ASP A 16 247.585 270.357 263.831 1.00 0.00 C +ATOM 17 CA ALA A 17 246.558 267.143 265.602 1.00 0.00 C +ATOM 18 CA VAL A 18 249.469 265.399 267.335 1.00 0.00 C +ATOM 19 CA SER A 19 250.915 262.038 268.398 1.00 0.00 C +ATOM 20 CA LEU A 20 254.372 261.854 266.807 1.00 0.00 C +ATOM 21 CA GLY A 21 258.107 261.958 266.064 1.00 0.00 C +ATOM 22 CA TYR A 22 259.885 258.600 265.792 1.00 0.00 C +ATOM 23 CA GLU A 23 263.688 258.678 266.008 1.00 0.00 C +ATOM 24 CA SER A 24 264.815 257.254 269.357 1.00 0.00 C +ATOM 25 CA TRP A 25 262.683 255.403 271.915 1.00 0.00 C +ATOM 26 CA ARG A 26 259.071 254.222 271.640 1.00 0.00 C +ATOM 27 CA ASP A 27 257.082 251.788 269.486 1.00 0.00 C +ATOM 28 CA GLU A 28 256.432 249.353 266.629 1.00 0.00 C +ATOM 29 CA GLU A 29 253.751 247.918 264.334 1.00 0.00 C +ATOM 30 CA ASP A 30 251.529 248.006 261.240 1.00 0.00 C +ATOM 31 CA VAL A 31 253.277 245.925 258.569 1.00 0.00 C +ATOM 32 CA GLY A 32 256.732 244.367 258.178 1.00 0.00 C +ATOM 33 CA GLY A 33 258.190 241.040 259.326 1.00 0.00 C +ATOM 34 CA ASP A 34 258.456 237.302 258.635 1.00 0.00 C +ATOM 35 CA ASP A 35 258.946 234.033 256.742 1.00 0.00 C +ATOM 36 CA GLU A 36 257.337 231.014 255.065 1.00 0.00 C +ATOM 37 CA GLU A 37 254.401 228.592 254.894 1.00 0.00 C +ATOM 38 CA GLU A 38 253.584 227.651 251.294 1.00 0.00 C +ATOM 39 CA ASP A 39 252.059 227.807 247.806 1.00 0.00 C +ATOM 40 CA ASP A 40 248.760 225.957 247.350 1.00 0.00 C +ATOM 41 CA ALA A 41 245.338 227.405 246.512 1.00 0.00 C +ATOM 42 CA ARG A 42 245.550 230.187 243.917 1.00 0.00 C +ATOM 43 CA GLY A 43 248.292 229.777 241.304 1.00 0.00 C +ATOM 44 CA PRO A 44 247.971 230.097 237.521 1.00 0.00 C +ATOM 45 CA VAL A 45 248.278 226.588 236.069 1.00 0.00 C +ATOM 46 CA ARG A 46 244.934 224.968 235.229 1.00 0.00 C +ATOM 47 CA PRO A 47 241.661 224.299 233.398 1.00 0.00 C +ATOM 48 CA SER A 48 238.219 225.307 234.684 1.00 0.00 C +ATOM 49 CA GLN A 49 237.374 229.000 235.086 1.00 0.00 C +ATOM 50 CA ARG A 50 238.787 232.132 236.733 1.00 0.00 C +ATOM 51 CA TRP A 51 237.649 235.747 236.344 1.00 0.00 C +ATOM 52 CA ALA A 52 237.031 237.628 233.089 1.00 0.00 C +ATOM 53 CA VAL A 53 235.196 238.493 229.864 1.00 0.00 C +ATOM 54 CA GLN A 54 234.797 242.265 229.511 1.00 0.00 C +ATOM 55 CA HIS A 55 231.315 243.622 228.769 1.00 0.00 C +ATOM 56 CA SER A 56 228.270 244.674 230.805 1.00 0.00 C +ATOM 57 CA THR A 57 228.630 247.878 232.834 1.00 0.00 C +ATOM 58 CA GLY A 58 230.301 250.171 235.377 1.00 0.00 C +TER 59 GLY A 58 +END diff --git a/Fungi/A0A8H6NRN8/A0A8H6NRN8.dcd b/Fungi/A0A8H6NRN8/A0A8H6NRN8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..ebddd37419f617c91a5ecca7e5b4349af135f10d --- /dev/null +++ b/Fungi/A0A8H6NRN8/A0A8H6NRN8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0a00ea68ca9d4e76e1f4009e46711a0c4bda6d50f75041e77c36f5e86c28cce4 +size 11120276 diff --git a/Fungi/A0A8H6NRN8/top.pdb b/Fungi/A0A8H6NRN8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..76dc963d639776c24e1cdf740aeeaf1505d55f82 --- /dev/null +++ b/Fungi/A0A8H6NRN8/top.pdb @@ -0,0 +1,90 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 225.987 229.532 252.192 1.00 0.00 C +ATOM 2 CA SER A 2 228.661 226.985 253.133 1.00 0.00 C +ATOM 3 CA LEU A 3 229.888 223.666 254.545 1.00 0.00 C +ATOM 4 CA TYR A 4 232.239 220.905 255.713 1.00 0.00 C +ATOM 5 CA GLY A 5 234.166 218.734 253.246 1.00 0.00 C +ATOM 6 CA CYS A 6 233.186 219.530 249.651 1.00 0.00 C +ATOM 7 CA PRO A 7 231.425 217.581 246.891 1.00 0.00 C +ATOM 8 CA TYR A 8 231.955 213.890 246.107 1.00 0.00 C +ATOM 9 CA GLY A 9 234.802 211.418 246.656 1.00 0.00 C +ATOM 10 CA HIS A 10 237.147 209.970 244.026 1.00 0.00 C +ATOM 11 CA PRO A 11 239.990 212.428 243.404 1.00 0.00 C +ATOM 12 CA ASP A 12 241.879 214.680 240.980 1.00 0.00 C +ATOM 13 CA SER A 13 243.514 213.483 237.753 1.00 0.00 C +ATOM 14 CA SER A 14 245.335 216.417 236.145 1.00 0.00 C +ATOM 15 CA VAL A 15 247.180 218.435 233.491 1.00 0.00 C +ATOM 16 CA PRO A 16 248.385 221.142 231.097 1.00 0.00 C +ATOM 17 CA VAL A 17 250.113 224.253 229.734 1.00 0.00 C +ATOM 18 CA VAL A 18 252.730 226.954 229.125 1.00 0.00 C +ATOM 19 CA GLY A 19 255.582 228.257 231.288 1.00 0.00 C +ATOM 20 CA LEU A 20 259.177 227.012 231.499 1.00 0.00 C +ATOM 21 CA PRO A 21 261.496 229.132 233.653 1.00 0.00 C +ATOM 22 CA THR A 22 264.816 231.000 233.626 1.00 0.00 C +ATOM 23 CA LEU A 23 265.686 234.155 231.676 1.00 0.00 C +ATOM 24 CA GLN A 24 263.511 237.225 232.280 1.00 0.00 C +ATOM 25 CA GLY A 25 265.483 240.458 231.865 1.00 0.00 C +ATOM 26 CA LYS A 26 266.641 242.085 235.110 1.00 0.00 C +ATOM 27 CA ALA A 27 263.927 241.373 237.687 1.00 0.00 C +ATOM 28 CA SER A 28 261.328 243.978 238.676 1.00 0.00 C +ATOM 29 CA GLN A 29 259.577 247.290 239.367 1.00 0.00 C +ATOM 30 CA ASP A 30 258.438 250.884 239.921 1.00 0.00 C +ATOM 31 CA LYS A 31 259.016 254.365 241.356 1.00 0.00 C +ATOM 32 CA PRO A 32 262.722 254.864 242.085 1.00 0.00 C +ATOM 33 CA TYR A 33 265.411 255.632 244.673 1.00 0.00 C +ATOM 34 CA ASP A 34 264.667 254.425 248.210 1.00 0.00 C +ATOM 35 CA ASP A 35 263.461 255.874 251.520 1.00 0.00 C +ATOM 36 CA GLY A 36 263.193 254.760 255.154 1.00 0.00 C +ATOM 37 CA GLU A 37 264.917 256.123 258.267 1.00 0.00 C +ATOM 38 CA MET A 38 266.981 258.476 260.439 1.00 0.00 C +ATOM 39 CA PRO A 39 269.938 260.223 258.790 1.00 0.00 C +ATOM 40 CA MET A 40 271.664 263.231 260.367 1.00 0.00 C +ATOM 41 CA PRO A 41 271.506 266.589 258.575 1.00 0.00 C +ATOM 42 CA ASN A 42 269.709 269.203 256.465 1.00 0.00 C +ATOM 43 CA ARG A 43 266.256 270.297 255.282 1.00 0.00 C +ATOM 44 CA LYS A 44 265.829 271.605 251.729 1.00 0.00 C +ATOM 45 CA THR A 45 268.932 272.684 249.800 1.00 0.00 C +ATOM 46 CA VAL A 46 268.305 271.761 246.157 1.00 0.00 C +ATOM 47 CA ASP A 47 267.545 270.249 242.744 1.00 0.00 C +ATOM 48 CA VAL A 48 265.116 269.357 239.947 1.00 0.00 C +ATOM 49 CA GLU A 49 265.059 266.087 237.993 1.00 0.00 C +ATOM 50 CA SER A 50 265.230 262.801 239.914 1.00 0.00 C +ATOM 51 CA TYR A 51 264.120 263.347 243.517 1.00 0.00 C +ATOM 52 CA ARG A 52 261.925 261.568 246.074 1.00 0.00 C +ATOM 53 CA HIS A 53 258.323 261.767 244.849 1.00 0.00 C +ATOM 54 CA ALA A 54 256.239 261.453 248.023 1.00 0.00 C +ATOM 55 CA ARG A 55 253.799 262.181 250.857 1.00 0.00 C +ATOM 56 CA ARG A 56 251.825 259.446 252.628 1.00 0.00 C +ATOM 57 CA ASP A 57 251.159 258.671 256.299 1.00 0.00 C +ATOM 58 CA GLY A 58 251.236 256.145 259.150 1.00 0.00 C +ATOM 59 CA GLN A 59 247.673 255.878 260.474 1.00 0.00 C +ATOM 60 CA GLY A 60 244.992 258.449 261.319 1.00 0.00 C +ATOM 61 CA LYS A 61 246.679 261.452 262.948 1.00 0.00 C +ATOM 62 CA GLU A 62 246.197 265.156 263.698 1.00 0.00 C +ATOM 63 CA ARG A 63 243.433 267.679 262.980 1.00 0.00 C +ATOM 64 CA ARG A 64 242.584 270.252 260.302 1.00 0.00 C +ATOM 65 CA THR A 65 238.942 271.248 260.815 1.00 0.00 C +ATOM 66 CA ARG A 66 235.885 272.637 262.616 1.00 0.00 C +ATOM 67 CA CYS A 67 234.728 272.559 266.245 1.00 0.00 C +ATOM 68 CA ALA A 68 235.206 274.070 269.710 1.00 0.00 C +ATOM 69 CA PRO A 69 233.566 272.776 272.896 1.00 0.00 C +ATOM 70 CA PRO A 70 232.967 269.014 272.995 1.00 0.00 C +ATOM 71 CA ASP A 71 233.086 266.054 270.600 1.00 0.00 C +ATOM 72 CA GLY A 72 231.494 264.570 267.473 1.00 0.00 C +ATOM 73 CA THR A 73 227.964 264.503 266.040 1.00 0.00 C +ATOM 74 CA ARG A 74 226.745 261.429 264.147 1.00 0.00 C +ATOM 75 CA ASN A 75 228.027 259.832 260.934 1.00 0.00 C +ATOM 76 CA LEU A 76 231.713 259.849 259.972 1.00 0.00 C +ATOM 77 CA SER A 77 234.717 262.192 260.033 1.00 0.00 C +ATOM 78 CA ARG A 78 236.932 265.259 259.582 1.00 0.00 C +ATOM 79 CA TYR A 79 239.460 265.027 256.741 1.00 0.00 C +ATOM 80 CA SER A 80 240.647 261.411 256.559 1.00 0.00 C +ATOM 81 CA ARG A 81 241.965 257.904 255.865 1.00 0.00 C +ATOM 82 CA LEU A 82 243.899 257.656 252.592 1.00 0.00 C +ATOM 83 CA LYS A 83 244.359 254.274 250.900 1.00 0.00 C +ATOM 84 CA GLN A 84 246.964 252.200 249.047 1.00 0.00 C +ATOM 85 CA VAL A 85 249.498 251.842 246.225 1.00 0.00 C +ATOM 86 CA ILE A 86 251.353 248.793 244.890 1.00 0.00 C +TER 87 ILE A 86 +END diff --git a/Fungi/A0A8H6QQE8/A0A8H6QQE8.dcd b/Fungi/A0A8H6QQE8/A0A8H6QQE8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..9041a8fc7a1b677574dac64b4b0300eb82a4945c --- /dev/null +++ b/Fungi/A0A8H6QQE8/A0A8H6QQE8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3465ca6d5566eeff2b37b0ccd393efccecdcd6cd8064790ee0f6104f99de26b4 +size 13520276 diff --git a/Fungi/A0A8H6QQE8/top.pdb b/Fungi/A0A8H6QQE8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d554d22d7f83d1ae9467a51fa1a5bd0209bf39f7 --- /dev/null +++ b/Fungi/A0A8H6QQE8/top.pdb @@ -0,0 +1,110 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 279.528 245.755 215.287 1.00 0.00 C +ATOM 2 CA SER A 2 280.464 242.451 216.937 1.00 0.00 C +ATOM 3 CA ASN A 3 282.407 241.574 220.095 1.00 0.00 C +ATOM 4 CA VAL A 4 284.560 243.533 222.554 1.00 0.00 C +ATOM 5 CA PHE A 5 282.830 243.707 225.944 1.00 0.00 C +ATOM 6 CA ARG A 6 281.549 245.914 228.773 1.00 0.00 C +ATOM 7 CA LYS A 7 282.571 246.224 232.431 1.00 0.00 C +ATOM 8 CA VAL A 8 283.539 249.560 233.996 1.00 0.00 C +ATOM 9 CA LYS A 9 285.275 252.927 233.594 1.00 0.00 C +ATOM 10 CA ASP A 10 282.704 255.737 233.515 1.00 0.00 C +ATOM 11 CA VAL A 11 281.198 258.717 235.350 1.00 0.00 C +ATOM 12 CA MET A 12 278.293 260.618 233.781 1.00 0.00 C +ATOM 13 CA SER A 13 278.526 263.905 231.867 1.00 0.00 C +ATOM 14 CA GLY A 14 276.987 266.657 234.005 1.00 0.00 C +ATOM 15 CA ARG A 15 276.709 267.782 237.634 1.00 0.00 C +ATOM 16 CA LEU A 16 274.965 268.007 241.014 1.00 0.00 C +ATOM 17 CA ASN A 17 271.742 267.211 242.884 1.00 0.00 C +ATOM 18 CA ASP A 18 269.691 264.371 244.382 1.00 0.00 C +ATOM 19 CA PRO A 19 269.823 260.940 246.033 1.00 0.00 C +ATOM 20 CA ASN A 20 270.327 257.562 247.723 1.00 0.00 C +ATOM 21 CA ASP A 21 271.985 254.136 247.894 1.00 0.00 C +ATOM 22 CA THR A 22 269.854 251.275 246.557 1.00 0.00 C +ATOM 23 CA ALA A 23 266.246 250.076 246.810 1.00 0.00 C +ATOM 24 CA GLN A 24 265.259 247.684 249.606 1.00 0.00 C +ATOM 25 CA TYR A 25 261.973 248.400 251.397 1.00 0.00 C +ATOM 26 CA ALA A 26 258.241 248.716 250.701 1.00 0.00 C +ATOM 27 CA ASP A 27 254.577 249.371 251.515 1.00 0.00 C +ATOM 28 CA GLY A 28 251.816 248.526 254.000 1.00 0.00 C +ATOM 29 CA ASP A 29 248.243 247.273 254.430 1.00 0.00 C +ATOM 30 CA LYS A 30 247.486 246.641 258.110 1.00 0.00 C +ATOM 31 CA ARG A 31 250.372 248.126 260.106 1.00 0.00 C +ATOM 32 CA SER A 32 252.956 250.909 259.805 1.00 0.00 C +ATOM 33 CA TYR A 33 256.750 250.639 260.025 1.00 0.00 C +ATOM 34 CA ASN A 34 258.611 249.120 262.982 1.00 0.00 C +ATOM 35 CA ASP A 35 260.895 247.221 265.368 1.00 0.00 C +ATOM 36 CA SER A 36 260.459 244.661 268.156 1.00 0.00 C +ATOM 37 CA ALA A 37 262.402 244.423 271.424 1.00 0.00 C +ATOM 38 CA SER A 38 260.750 242.829 274.465 1.00 0.00 C +ATOM 39 CA GLY A 39 261.257 239.700 276.580 1.00 0.00 C +ATOM 40 CA ASN A 40 259.981 236.290 275.457 1.00 0.00 C +ATOM 41 CA ASP A 41 256.532 235.156 274.304 1.00 0.00 C +ATOM 42 CA PHE A 42 256.850 231.497 273.290 1.00 0.00 C +ATOM 43 CA GLY A 43 258.644 228.943 275.476 1.00 0.00 C +ATOM 44 CA SER A 44 257.015 227.454 278.581 1.00 0.00 C +ATOM 45 CA GLY A 45 254.656 229.856 280.365 1.00 0.00 C +ATOM 46 CA VAL A 46 251.752 231.239 278.323 1.00 0.00 C +ATOM 47 CA HIS A 47 249.129 233.996 278.138 1.00 0.00 C +ATOM 48 CA ASP A 48 250.017 236.461 280.904 1.00 0.00 C +ATOM 49 CA ALA A 49 252.396 239.340 281.658 1.00 0.00 C +ATOM 50 CA LEU A 50 253.359 242.197 279.329 1.00 0.00 C +ATOM 51 CA PRO A 51 253.315 245.180 276.958 1.00 0.00 C +ATOM 52 CA GLY A 52 255.620 246.744 274.360 1.00 0.00 C +ATOM 53 CA SER A 53 254.115 248.917 271.616 1.00 0.00 C +ATOM 54 CA GLY A 54 253.687 248.549 267.848 1.00 0.00 C +ATOM 55 CA ASN A 55 252.722 245.518 265.751 1.00 0.00 C +ATOM 56 CA SER A 56 252.701 242.050 264.174 1.00 0.00 C +ATOM 57 CA ARG A 57 252.333 242.237 260.386 1.00 0.00 C +ATOM 58 CA PRO A 58 251.770 241.723 256.653 1.00 0.00 C +ATOM 59 CA ASN A 59 254.180 239.866 254.360 1.00 0.00 C +ATOM 60 CA VAL A 60 252.684 239.483 250.877 1.00 0.00 C +ATOM 61 CA GLY A 61 249.662 237.188 251.222 1.00 0.00 C +ATOM 62 CA GLU A 62 246.383 238.777 250.110 1.00 0.00 C +ATOM 63 CA ASN A 63 246.557 242.427 251.186 1.00 0.00 C +ATOM 64 CA GLU A 64 243.111 243.422 252.471 1.00 0.00 C +ATOM 65 CA ARG A 65 240.631 242.943 255.324 1.00 0.00 C +ATOM 66 CA ASP A 66 238.155 244.625 257.681 1.00 0.00 C +ATOM 67 CA ARG A 67 239.520 245.374 261.158 1.00 0.00 C +ATOM 68 CA ASN A 68 240.617 248.708 262.641 1.00 0.00 C +ATOM 69 CA ASP A 69 244.036 250.325 263.102 1.00 0.00 C +ATOM 70 CA GLN A 70 245.563 253.431 261.510 1.00 0.00 C +ATOM 71 CA PRO A 71 243.308 256.502 261.430 1.00 0.00 C +ATOM 72 CA PRO A 72 240.664 258.359 259.411 1.00 0.00 C +ATOM 73 CA PRO A 73 241.065 260.888 256.590 1.00 0.00 C +ATOM 74 CA SER A 74 238.942 263.913 257.517 1.00 0.00 C +ATOM 75 CA ALA A 75 239.135 267.718 257.529 1.00 0.00 C +ATOM 76 CA GLU A 76 240.343 271.044 256.119 1.00 0.00 C +ATOM 77 CA ALA A 77 244.062 270.990 255.289 1.00 0.00 C +ATOM 78 CA HIS A 78 244.798 272.662 251.946 1.00 0.00 C +ATOM 79 CA HIS A 79 242.335 274.920 250.115 1.00 0.00 C +ATOM 80 CA GLY A 80 240.347 272.807 247.645 1.00 0.00 C +ATOM 81 CA SER A 81 238.580 271.773 244.432 1.00 0.00 C +ATOM 82 CA ARG A 82 236.226 274.278 242.789 1.00 0.00 C +ATOM 83 CA GLY A 83 236.749 275.688 239.288 1.00 0.00 C +ATOM 84 CA TYR A 84 235.210 276.081 235.825 1.00 0.00 C +ATOM 85 CA HIS A 85 234.707 272.636 234.277 1.00 0.00 C +ATOM 86 CA GLY A 86 234.694 268.958 233.281 1.00 0.00 C +ATOM 87 CA THR A 87 233.834 265.763 231.392 1.00 0.00 C +ATOM 88 CA ASN A 88 234.038 264.325 227.869 1.00 0.00 C +ATOM 89 CA SER A 89 230.720 263.633 226.130 1.00 0.00 C +ATOM 90 CA THR A 90 228.488 261.366 228.228 1.00 0.00 C +ATOM 91 CA THR A 91 225.193 259.817 229.349 1.00 0.00 C +ATOM 92 CA GLU A 92 221.893 257.943 229.682 1.00 0.00 C +ATOM 93 CA ASN A 93 221.960 254.344 230.929 1.00 0.00 C +ATOM 94 CA TYR A 94 218.889 252.877 232.642 1.00 0.00 C +ATOM 95 CA ALA A 95 216.272 250.219 231.866 1.00 0.00 C +ATOM 96 CA THR A 96 215.492 246.491 231.949 1.00 0.00 C +ATOM 97 CA ALA A 97 215.615 243.142 233.762 1.00 0.00 C +ATOM 98 CA THR A 98 219.114 241.730 234.290 1.00 0.00 C +ATOM 99 CA ASN A 99 219.311 237.971 234.879 1.00 0.00 C +ATOM 100 CA ASP A 100 219.767 234.303 233.954 1.00 0.00 C +ATOM 101 CA TYR A 101 220.371 231.259 236.165 1.00 0.00 C +ATOM 102 CA ARG A 102 218.528 230.089 239.288 1.00 0.00 C +ATOM 103 CA ASN A 103 215.798 230.660 241.883 1.00 0.00 C +ATOM 104 CA PRO A 104 212.833 233.025 242.243 1.00 0.00 C +ATOM 105 CA THR A 105 209.769 230.763 242.105 1.00 0.00 C +ATOM 106 CA SER A 106 209.440 228.267 244.964 1.00 0.00 C +TER 107 SER A 106 +END diff --git a/Fungi/A0A8H6V0K5/A0A8H6V0K5.dcd b/Fungi/A0A8H6V0K5/A0A8H6V0K5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..4c898d8398ae471aff1feda987d35792adb8110c --- /dev/null +++ b/Fungi/A0A8H6V0K5/A0A8H6V0K5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:120aa34d61230f61f339a6856b9a59abbcea5d10c5e83b0e3beb1464269cd026 +size 9440276 diff --git a/Fungi/A0A8H6V0K5/top.pdb b/Fungi/A0A8H6V0K5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b2ec1ed1a2c5cc580b2d963084edb8455b7e066f --- /dev/null +++ b/Fungi/A0A8H6V0K5/top.pdb @@ -0,0 +1,76 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 214.519 215.302 266.591 1.00 0.00 C +ATOM 2 CA PRO A 2 215.665 212.179 264.734 1.00 0.00 C +ATOM 3 CA GLN A 3 218.752 213.202 262.748 1.00 0.00 C +ATOM 4 CA ASN A 4 221.268 215.596 261.182 1.00 0.00 C +ATOM 5 CA GLN A 5 220.510 219.129 259.973 1.00 0.00 C +ATOM 6 CA ASP A 6 221.309 219.373 256.256 1.00 0.00 C +ATOM 7 CA TYR A 7 221.987 220.830 252.801 1.00 0.00 C +ATOM 8 CA SER A 8 219.409 222.336 250.435 1.00 0.00 C +ATOM 9 CA TYR A 9 218.291 225.975 250.583 1.00 0.00 C +ATOM 10 CA LYS A 10 221.395 228.171 250.338 1.00 0.00 C +ATOM 11 CA SER A 11 220.830 231.915 249.916 1.00 0.00 C +ATOM 12 CA SER A 12 217.723 234.118 249.820 1.00 0.00 C +ATOM 13 CA GLY A 13 216.575 237.399 248.261 1.00 0.00 C +ATOM 14 CA THR A 14 215.469 241.031 248.578 1.00 0.00 C +ATOM 15 CA ASN A 15 214.646 244.435 250.078 1.00 0.00 C +ATOM 16 CA SER A 16 215.856 247.528 251.945 1.00 0.00 C +ATOM 17 CA GLN A 17 215.463 249.169 255.362 1.00 0.00 C +ATOM 18 CA GLY A 18 218.245 248.692 257.920 1.00 0.00 C +ATOM 19 CA ASN A 19 221.791 249.662 256.916 1.00 0.00 C +ATOM 20 CA HIS A 20 224.687 248.460 254.752 1.00 0.00 C +ATOM 21 CA TYR A 21 225.789 251.392 252.583 1.00 0.00 C +ATOM 22 CA CYS A 22 227.877 254.415 253.593 1.00 0.00 C +ATOM 23 CA ALA A 23 228.469 258.168 253.306 1.00 0.00 C +ATOM 24 CA ARG A 24 230.420 258.544 250.055 1.00 0.00 C +ATOM 25 CA ASP A 25 231.210 260.975 247.230 1.00 0.00 C +ATOM 26 CA TYR A 26 228.245 261.664 244.938 1.00 0.00 C +ATOM 27 CA GLY A 27 228.346 262.361 241.194 1.00 0.00 C +ATOM 28 CA SER A 28 230.104 261.081 238.066 1.00 0.00 C +ATOM 29 CA GLY A 29 233.609 259.611 238.332 1.00 0.00 C +ATOM 30 CA ALA A 30 236.487 259.778 235.841 1.00 0.00 C +ATOM 31 CA SER A 31 239.974 259.610 237.365 1.00 0.00 C +ATOM 32 CA ASN A 32 240.129 256.701 239.821 1.00 0.00 C +ATOM 33 CA SER A 33 243.644 255.283 240.211 1.00 0.00 C +ATOM 34 CA ASN A 34 246.078 258.111 239.439 1.00 0.00 C +ATOM 35 CA SER A 35 249.602 259.091 240.502 1.00 0.00 C +ATOM 36 CA TYR A 36 252.946 257.320 240.953 1.00 0.00 C +ATOM 37 CA HIS A 37 252.173 253.590 241.004 1.00 0.00 C +ATOM 38 CA TYR A 38 252.849 250.506 238.872 1.00 0.00 C +ATOM 39 CA SER A 39 254.076 247.315 240.554 1.00 0.00 C +ATOM 40 CA ASN A 40 257.746 246.523 241.203 1.00 0.00 C +ATOM 41 CA SER A 41 259.864 243.865 242.925 1.00 0.00 C +ATOM 42 CA ASP A 42 261.268 240.350 242.486 1.00 0.00 C +ATOM 43 CA GLY A 43 260.928 238.214 245.623 1.00 0.00 C +ATOM 44 CA SER A 44 263.448 235.365 245.406 1.00 0.00 C +ATOM 45 CA TYR A 45 266.797 235.015 247.189 1.00 0.00 C +ATOM 46 CA TYR A 46 270.119 235.455 245.375 1.00 0.00 C +ATOM 47 CA TYR A 47 273.103 233.790 247.060 1.00 0.00 C +ATOM 48 CA SER A 48 274.480 236.040 249.809 1.00 0.00 C +ATOM 49 CA ASN A 49 273.738 237.840 253.084 1.00 0.00 C +ATOM 50 CA PRO A 50 274.125 236.719 256.704 1.00 0.00 C +ATOM 51 CA ASN A 51 275.218 239.106 259.465 1.00 0.00 C +ATOM 52 CA GLY A 52 275.429 241.821 262.129 1.00 0.00 C +ATOM 53 CA SER A 53 273.317 244.353 264.037 1.00 0.00 C +ATOM 54 CA THR A 54 271.972 247.342 262.094 1.00 0.00 C +ATOM 55 CA TYR A 55 269.878 250.123 260.546 1.00 0.00 C +ATOM 56 CA TYR A 56 271.875 253.352 260.867 1.00 0.00 C +ATOM 57 CA ASN A 57 275.545 254.066 260.134 1.00 0.00 C +ATOM 58 CA ASN A 58 276.732 257.601 260.913 1.00 0.00 C +ATOM 59 CA GLY A 59 276.768 259.933 257.900 1.00 0.00 C +ATOM 60 CA ASN A 60 278.434 263.224 256.945 1.00 0.00 C +ATOM 61 CA GLY A 61 279.382 265.690 254.199 1.00 0.00 C +ATOM 62 CA SER A 62 279.914 268.992 252.376 1.00 0.00 C +ATOM 63 CA SER A 63 280.118 272.632 253.483 1.00 0.00 C +ATOM 64 CA ASN A 64 282.330 275.518 254.621 1.00 0.00 C +ATOM 65 CA TYR A 65 281.974 278.368 252.118 1.00 0.00 C +ATOM 66 CA THR A 66 281.470 279.846 248.643 1.00 0.00 C +ATOM 67 CA PRO A 67 282.338 283.065 246.797 1.00 0.00 C +ATOM 68 CA PRO A 68 285.704 282.404 245.139 1.00 0.00 C +ATOM 69 CA SER A 69 287.996 284.678 243.116 1.00 0.00 C +ATOM 70 CA GLY A 70 289.551 286.625 240.234 1.00 0.00 C +ATOM 71 CA LYS A 71 290.471 289.965 238.647 1.00 0.00 C +ATOM 72 CA LYS A 72 291.551 292.102 235.684 1.00 0.00 C +TER 73 LYS A 72 +END diff --git a/Fungi/A0A8H7I9D7/A0A8H7I9D7.dcd b/Fungi/A0A8H7I9D7/A0A8H7I9D7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..57ccf53a1acd872f01a7fb34a76818167e1b58bb --- /dev/null +++ b/Fungi/A0A8H7I9D7/A0A8H7I9D7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1ab044b438e93a7a7b87b8d38ff6a76f5e3788f3f046f21671235ee027c34201 +size 8720276 diff --git a/Fungi/A0A8H7I9D7/top.pdb b/Fungi/A0A8H7I9D7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..53703c2c067b220b1e843e8ce44eb30d6a7ce532 --- /dev/null +++ b/Fungi/A0A8H7I9D7/top.pdb @@ -0,0 +1,70 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 219.283 234.715 255.562 1.00 0.00 C +ATOM 2 CA LEU A 2 222.085 237.182 256.321 1.00 0.00 C +ATOM 3 CA ARG A 3 221.835 239.716 259.155 1.00 0.00 C +ATOM 4 CA PRO A 4 223.004 241.882 262.063 1.00 0.00 C +ATOM 5 CA TRP A 5 222.692 240.726 265.680 1.00 0.00 C +ATOM 6 CA PRO A 6 224.920 239.982 268.680 1.00 0.00 C +ATOM 7 CA ARG A 7 225.320 236.455 270.065 1.00 0.00 C +ATOM 8 CA ILE A 8 226.159 233.005 271.446 1.00 0.00 C +ATOM 9 CA ASP A 9 226.868 229.270 271.707 1.00 0.00 C +ATOM 10 CA GLY A 10 225.456 227.005 268.988 1.00 0.00 C +ATOM 11 CA GLN A 11 224.312 228.428 265.645 1.00 0.00 C +ATOM 12 CA MET A 12 226.345 226.905 262.806 1.00 0.00 C +ATOM 13 CA SER A 13 224.656 226.218 259.460 1.00 0.00 C +ATOM 14 CA ASP A 14 224.327 227.493 255.885 1.00 0.00 C +ATOM 15 CA THR A 15 221.123 225.927 254.544 1.00 0.00 C +ATOM 16 CA LYS A 16 220.467 227.784 251.282 1.00 0.00 C +ATOM 17 CA ARG A 17 218.245 229.776 248.913 1.00 0.00 C +ATOM 18 CA GLN A 18 218.751 230.151 245.156 1.00 0.00 C +ATOM 19 CA PRO A 19 220.500 233.289 243.888 1.00 0.00 C +ATOM 20 CA THR A 20 220.618 237.087 243.606 1.00 0.00 C +ATOM 21 CA SER A 21 223.835 238.182 241.885 1.00 0.00 C +ATOM 22 CA GLY A 22 225.167 235.141 240.016 1.00 0.00 C +ATOM 23 CA GLY A 23 225.120 236.049 236.316 1.00 0.00 C +ATOM 24 CA VAL A 24 225.596 238.667 233.589 1.00 0.00 C +ATOM 25 CA VAL A 25 228.985 240.384 233.889 1.00 0.00 C +ATOM 26 CA PHE A 26 232.517 241.799 233.691 1.00 0.00 C +ATOM 27 CA SER A 27 233.158 242.343 229.975 1.00 0.00 C +ATOM 28 CA SER A 28 234.339 245.847 229.055 1.00 0.00 C +ATOM 29 CA PRO A 29 234.563 249.615 229.573 1.00 0.00 C +ATOM 30 CA GLU A 30 236.645 251.036 232.430 1.00 0.00 C +ATOM 31 CA VAL A 31 240.113 250.171 233.751 1.00 0.00 C +ATOM 32 CA PRO A 32 239.943 250.635 237.529 1.00 0.00 C +ATOM 33 CA PRO A 33 243.446 251.753 238.524 1.00 0.00 C +ATOM 34 CA TRP A 34 246.251 253.626 240.297 1.00 0.00 C +ATOM 35 CA SER A 35 248.835 254.158 243.046 1.00 0.00 C +ATOM 36 CA SER A 36 251.631 251.575 243.224 1.00 0.00 C +ATOM 37 CA LEU A 37 251.251 247.784 243.159 1.00 0.00 C +ATOM 38 CA ALA A 38 252.876 245.517 245.754 1.00 0.00 C +ATOM 39 CA GLY A 39 253.822 244.761 249.366 1.00 0.00 C +ATOM 40 CA SER A 40 257.228 246.377 249.921 1.00 0.00 C +ATOM 41 CA LYS A 41 259.952 248.132 251.924 1.00 0.00 C +ATOM 42 CA HIS A 42 261.006 251.701 252.740 1.00 0.00 C +ATOM 43 CA LEU A 43 259.806 254.705 254.753 1.00 0.00 C +ATOM 44 CA MET A 44 260.265 258.357 255.739 1.00 0.00 C +ATOM 45 CA ASP A 45 262.972 261.030 255.948 1.00 0.00 C +ATOM 46 CA SER A 46 265.561 263.379 254.434 1.00 0.00 C +ATOM 47 CA GLY A 47 267.746 264.676 251.595 1.00 0.00 C +ATOM 48 CA ALA A 48 271.095 265.534 249.994 1.00 0.00 C +ATOM 49 CA ASN A 49 272.974 262.980 247.882 1.00 0.00 C +ATOM 50 CA VAL A 50 276.492 262.653 246.454 1.00 0.00 C +ATOM 51 CA SER A 51 278.892 265.199 247.963 1.00 0.00 C +ATOM 52 CA ARG A 52 281.086 266.933 245.376 1.00 0.00 C +ATOM 53 CA SER A 53 283.582 269.569 244.219 1.00 0.00 C +ATOM 54 CA ASP A 54 281.749 272.262 242.244 1.00 0.00 C +ATOM 55 CA GLN A 55 282.204 275.865 243.397 1.00 0.00 C +ATOM 56 CA ILE A 56 283.069 276.540 247.045 1.00 0.00 C +ATOM 57 CA ASP A 57 282.608 278.518 250.269 1.00 0.00 C +ATOM 58 CA ILE A 58 283.101 277.280 253.839 1.00 0.00 C +ATOM 59 CA ASP A 59 286.679 276.065 254.323 1.00 0.00 C +ATOM 60 CA TRP A 60 289.952 274.603 253.033 1.00 0.00 C +ATOM 61 CA ARG A 61 290.446 270.904 253.806 1.00 0.00 C +ATOM 62 CA LYS A 62 290.751 267.730 255.890 1.00 0.00 C +ATOM 63 CA HIS A 63 294.388 266.665 255.493 1.00 0.00 C +ATOM 64 CA PRO A 64 295.678 265.551 258.900 1.00 0.00 C +ATOM 65 CA PRO A 65 297.194 267.674 261.678 1.00 0.00 C +ATOM 66 CA ASN A 66 298.464 267.080 265.220 1.00 0.00 C +TER 67 ASN A 66 +END diff --git a/Fungi/A0A8H7IUN1/A0A8H7IUN1.dcd b/Fungi/A0A8H7IUN1/A0A8H7IUN1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..244349736df1e183569bc9290a1a126182c43e80 --- /dev/null +++ b/Fungi/A0A8H7IUN1/A0A8H7IUN1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c5aa8870137958555765368f0125246fb3a661a94b6cd1ada6fc1543d64c085a +size 9680276 diff --git a/Fungi/A0A8H7IUN1/top.pdb b/Fungi/A0A8H7IUN1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4ab7238f97e521c1e24cc9dfc2e4283a7068878e --- /dev/null +++ b/Fungi/A0A8H7IUN1/top.pdb @@ -0,0 +1,78 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 228.459 289.085 270.571 1.00 0.00 C +ATOM 2 CA TYR A 2 227.815 287.141 273.784 1.00 0.00 C +ATOM 3 CA LEU A 3 228.358 283.451 273.006 1.00 0.00 C +ATOM 4 CA TYR A 4 230.096 283.200 269.625 1.00 0.00 C +ATOM 5 CA TYR A 5 230.935 281.482 266.330 1.00 0.00 C +ATOM 6 CA LEU A 6 231.692 281.773 262.607 1.00 0.00 C +ATOM 7 CA GLN A 7 232.968 283.010 259.237 1.00 0.00 C +ATOM 8 CA GLU A 8 236.446 283.722 257.854 1.00 0.00 C +ATOM 9 CA GLU A 9 236.587 282.538 254.236 1.00 0.00 C +ATOM 10 CA LYS A 10 233.244 282.863 252.439 1.00 0.00 C +ATOM 11 CA LYS A 11 230.053 281.284 253.796 1.00 0.00 C +ATOM 12 CA LYS A 12 229.606 277.525 253.370 1.00 0.00 C +ATOM 13 CA LYS A 13 230.656 275.332 256.304 1.00 0.00 C +ATOM 14 CA LYS A 14 231.690 274.974 259.953 1.00 0.00 C +ATOM 15 CA LYS A 15 229.031 273.106 261.942 1.00 0.00 C +ATOM 16 CA LYS A 16 230.882 270.434 263.929 1.00 0.00 C +ATOM 17 CA LYS A 17 230.172 268.065 266.827 1.00 0.00 C +ATOM 18 CA LYS A 18 232.045 264.762 267.151 1.00 0.00 C +ATOM 19 CA LYS A 19 233.368 264.101 270.661 1.00 0.00 C +ATOM 20 CA LYS A 20 233.458 260.699 272.374 1.00 0.00 C +ATOM 21 CA LYS A 21 234.341 257.262 273.762 1.00 0.00 C +ATOM 22 CA LYS A 22 237.010 254.567 274.119 1.00 0.00 C +ATOM 23 CA LYS A 23 240.573 253.310 273.629 1.00 0.00 C +ATOM 24 CA LYS A 24 243.144 251.167 271.808 1.00 0.00 C +ATOM 25 CA LYS A 25 246.042 249.177 270.339 1.00 0.00 C +ATOM 26 CA LYS A 26 246.219 250.319 266.709 1.00 0.00 C +ATOM 27 CA LYS A 27 249.561 252.022 266.038 1.00 0.00 C +ATOM 28 CA LYS A 28 252.812 252.913 264.262 1.00 0.00 C +ATOM 29 CA LYS A 29 255.838 254.857 263.006 1.00 0.00 C +ATOM 30 CA LYS A 30 258.804 256.135 265.027 1.00 0.00 C +ATOM 31 CA LYS A 31 261.508 257.638 262.803 1.00 0.00 C +ATOM 32 CA LYS A 32 264.582 259.765 263.541 1.00 0.00 C +ATOM 33 CA LYS A 33 267.546 259.171 265.860 1.00 0.00 C +ATOM 34 CA LYS A 34 270.074 256.938 267.631 1.00 0.00 C +ATOM 35 CA LYS A 35 271.507 253.638 266.376 1.00 0.00 C +ATOM 36 CA LYS A 36 272.293 250.904 263.842 1.00 0.00 C +ATOM 37 CA LYS A 37 269.505 248.457 262.970 1.00 0.00 C +ATOM 38 CA LYS A 38 266.164 250.184 262.363 1.00 0.00 C +ATOM 39 CA LYS A 39 263.052 248.869 260.602 1.00 0.00 C +ATOM 40 CA LYS A 40 260.029 249.830 262.713 1.00 0.00 C +ATOM 41 CA LYS A 41 256.755 248.938 260.980 1.00 0.00 C +ATOM 42 CA LYS A 42 253.550 246.962 260.396 1.00 0.00 C +ATOM 43 CA LYS A 43 250.577 244.580 260.357 1.00 0.00 C +ATOM 44 CA LYS A 44 249.859 241.968 257.678 1.00 0.00 C +ATOM 45 CA LYS A 45 248.112 242.116 254.296 1.00 0.00 C +ATOM 46 CA LYS A 46 245.224 241.082 252.036 1.00 0.00 C +ATOM 47 CA LYS A 47 246.726 238.443 249.736 1.00 0.00 C +ATOM 48 CA LYS A 48 247.023 234.925 248.303 1.00 0.00 C +ATOM 49 CA LYS A 49 249.396 231.981 247.836 1.00 0.00 C +ATOM 50 CA LYS A 50 252.361 229.649 247.297 1.00 0.00 C +ATOM 51 CA LYS A 51 253.147 226.276 245.710 1.00 0.00 C +ATOM 52 CA LYS A 52 253.409 226.245 241.910 1.00 0.00 C +ATOM 53 CA LYS A 53 252.603 222.964 240.148 1.00 0.00 C +ATOM 54 CA LYS A 54 255.846 221.566 238.719 1.00 0.00 C +ATOM 55 CA LYS A 55 259.060 221.625 236.673 1.00 0.00 C +ATOM 56 CA LYS A 56 261.886 224.103 236.054 1.00 0.00 C +ATOM 57 CA LYS A 57 262.336 226.071 232.822 1.00 0.00 C +ATOM 58 CA LYS A 58 260.630 225.326 229.498 1.00 0.00 C +ATOM 59 CA ASN A 59 259.729 227.792 226.737 1.00 0.00 C +ATOM 60 CA THR A 60 256.780 226.759 224.557 1.00 0.00 C +ATOM 61 CA VAL A 61 258.315 226.240 221.108 1.00 0.00 C +ATOM 62 CA THR A 62 262.083 226.374 220.564 1.00 0.00 C +ATOM 63 CA LEU A 63 265.331 226.361 222.555 1.00 0.00 C +ATOM 64 CA SER A 64 268.222 226.369 220.074 1.00 0.00 C +ATOM 65 CA LEU A 65 269.065 230.057 219.623 1.00 0.00 C +ATOM 66 CA PHE A 66 269.945 233.101 217.508 1.00 0.00 C +ATOM 67 CA LEU A 67 267.671 235.946 216.388 1.00 0.00 C +ATOM 68 CA ASN A 68 264.195 234.498 215.810 1.00 0.00 C +ATOM 69 CA ASN A 69 261.370 237.018 215.384 1.00 0.00 C +ATOM 70 CA SER A 70 258.845 237.555 212.581 1.00 0.00 C +ATOM 71 CA SER A 71 256.768 235.337 210.283 1.00 0.00 C +ATOM 72 CA SER A 72 255.494 232.395 208.224 1.00 0.00 C +ATOM 73 CA THR A 73 255.284 228.602 207.929 1.00 0.00 C +ATOM 74 CA LEU A 74 254.239 225.108 206.827 1.00 0.00 C +TER 75 LEU A 74 +END diff --git a/Fungi/A0A8H7J2N8/A0A8H7J2N8.dcd b/Fungi/A0A8H7J2N8/A0A8H7J2N8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..21ec5bf270f7b5e396294b5bdfd3efadc6064c94 --- /dev/null +++ b/Fungi/A0A8H7J2N8/A0A8H7J2N8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:412d74d6ecfe0eca9059ad68ee3b636dec483f7f8fd62d4259d8306445e51c15 +size 23240276 diff --git a/Fungi/A0A8H7J2N8/top.pdb b/Fungi/A0A8H7J2N8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8899d7236adc688f7f9faa77a73306341850357a --- /dev/null +++ b/Fungi/A0A8H7J2N8/top.pdb @@ -0,0 +1,191 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 206.912 305.945 252.046 1.00 0.00 C +ATOM 2 CA PRO A 2 204.452 303.184 252.962 1.00 0.00 C +ATOM 3 CA VAL A 3 205.553 299.539 253.081 1.00 0.00 C +ATOM 4 CA LEU A 4 206.380 295.842 253.485 1.00 0.00 C +ATOM 5 CA SER A 5 208.539 294.218 256.172 1.00 0.00 C +ATOM 6 CA LEU A 6 212.284 294.915 256.198 1.00 0.00 C +ATOM 7 CA SER A 7 214.882 295.131 258.977 1.00 0.00 C +ATOM 8 CA SER A 8 215.675 298.658 260.180 1.00 0.00 C +ATOM 9 CA ILE A 9 218.191 298.815 263.037 1.00 0.00 C +ATOM 10 CA HIS A 10 220.583 296.435 264.806 1.00 0.00 C +ATOM 11 CA ASP A 11 221.715 292.964 263.719 1.00 0.00 C +ATOM 12 CA HIS A 12 223.244 289.514 264.243 1.00 0.00 C +ATOM 13 CA ASN A 13 224.177 285.902 263.469 1.00 0.00 C +ATOM 14 CA LYS A 14 224.940 282.386 264.725 1.00 0.00 C +ATOM 15 CA ARG A 15 227.048 279.355 263.786 1.00 0.00 C +ATOM 16 CA SER A 16 225.092 277.174 261.351 1.00 0.00 C +ATOM 17 CA GLN A 17 224.379 273.968 259.419 1.00 0.00 C +ATOM 18 CA HIS A 18 225.862 271.342 257.091 1.00 0.00 C +ATOM 19 CA PRO A 19 229.488 270.971 258.203 1.00 0.00 C +ATOM 20 CA ILE A 20 232.481 272.453 256.370 1.00 0.00 C +ATOM 21 CA THR A 21 234.894 275.352 255.828 1.00 0.00 C +ATOM 22 CA SER A 22 237.521 274.885 258.548 1.00 0.00 C +ATOM 23 CA GLN A 23 240.978 276.058 257.455 1.00 0.00 C +ATOM 24 CA ARG A 24 240.515 278.933 254.999 1.00 0.00 C +ATOM 25 CA SER A 25 240.080 279.041 251.215 1.00 0.00 C +ATOM 26 CA ARG A 26 243.143 279.102 248.950 1.00 0.00 C +ATOM 27 CA SER A 27 245.672 277.314 246.731 1.00 0.00 C +ATOM 28 CA ILE A 28 248.027 274.368 247.273 1.00 0.00 C +ATOM 29 CA ARG A 29 250.984 272.488 248.769 1.00 0.00 C +ATOM 30 CA ILE A 30 253.838 271.369 251.031 1.00 0.00 C +ATOM 31 CA THR A 31 256.404 273.989 252.065 1.00 0.00 C +ATOM 32 CA SER A 32 257.807 277.289 253.354 1.00 0.00 C +ATOM 33 CA THR A 33 256.081 280.674 253.081 1.00 0.00 C +ATOM 34 CA GLN A 34 256.752 282.962 250.110 1.00 0.00 C +ATOM 35 CA TYR A 35 256.705 284.917 246.839 1.00 0.00 C +ATOM 36 CA GLN A 36 258.296 283.159 243.857 1.00 0.00 C +ATOM 37 CA HIS A 37 260.179 279.850 243.706 1.00 0.00 C +ATOM 38 CA ILE A 38 258.869 276.568 242.281 1.00 0.00 C +ATOM 39 CA THR A 39 260.607 273.784 240.346 1.00 0.00 C +ATOM 40 CA ARG A 40 264.289 273.190 241.122 1.00 0.00 C +ATOM 41 CA PRO A 41 267.703 272.171 242.474 1.00 0.00 C +ATOM 42 CA HIS A 42 268.888 268.551 242.524 1.00 0.00 C +ATOM 43 CA PRO A 43 272.559 268.715 241.519 1.00 0.00 C +ATOM 44 CA PRO A 44 274.992 271.125 239.849 1.00 0.00 C +ATOM 45 CA PRO A 45 274.847 272.336 236.239 1.00 0.00 C +ATOM 46 CA PRO A 46 277.533 272.559 233.546 1.00 0.00 C +ATOM 47 CA HIS A 47 280.076 275.180 234.631 1.00 0.00 C +ATOM 48 CA ILE A 48 283.493 274.443 236.146 1.00 0.00 C +ATOM 49 CA GLN A 49 284.265 275.880 239.589 1.00 0.00 C +ATOM 50 CA THR A 50 285.333 276.555 243.183 1.00 0.00 C +ATOM 51 CA THR A 51 283.254 274.914 245.923 1.00 0.00 C +ATOM 52 CA THR A 52 280.530 272.734 247.454 1.00 0.00 C +ATOM 53 CA ASN A 53 276.915 273.708 248.160 1.00 0.00 C +ATOM 54 CA ASN A 54 274.546 271.285 249.900 1.00 0.00 C +ATOM 55 CA HIS A 55 275.545 267.679 250.622 1.00 0.00 C +ATOM 56 CA GLN A 56 277.942 265.630 248.484 1.00 0.00 C +ATOM 57 CA ALA A 57 278.680 264.313 244.986 1.00 0.00 C +ATOM 58 CA ILE A 58 279.669 265.746 241.597 1.00 0.00 C +ATOM 59 CA GLN A 59 279.493 264.460 238.016 1.00 0.00 C +ATOM 60 CA PRO A 60 278.515 261.728 235.546 1.00 0.00 C +ATOM 61 CA PRO A 61 281.031 259.055 234.526 1.00 0.00 C +ATOM 62 CA SER A 62 284.666 259.189 235.661 1.00 0.00 C +ATOM 63 CA HIS A 63 287.275 257.088 233.846 1.00 0.00 C +ATOM 64 CA PRO A 64 286.060 254.028 231.928 1.00 0.00 C +ATOM 65 CA THR A 65 282.339 253.318 232.336 1.00 0.00 C +ATOM 66 CA THR A 66 279.495 250.866 231.690 1.00 0.00 C +ATOM 67 CA LYS A 67 281.122 247.472 231.099 1.00 0.00 C +ATOM 68 CA PRO A 68 279.448 244.058 230.863 1.00 0.00 C +ATOM 69 CA SER A 69 277.922 242.057 228.002 1.00 0.00 C +ATOM 70 CA ASN A 70 274.171 242.205 227.351 1.00 0.00 C +ATOM 71 CA HIS A 71 271.062 240.002 227.388 1.00 0.00 C +ATOM 72 CA GLN A 72 269.733 239.692 230.945 1.00 0.00 C +ATOM 73 CA ALA A 73 271.300 242.492 233.000 1.00 0.00 C +ATOM 74 CA ILE A 74 273.278 245.733 232.692 1.00 0.00 C +ATOM 75 CA GLN A 75 271.868 248.801 230.926 1.00 0.00 C +ATOM 76 CA PRO A 76 270.482 251.581 233.132 1.00 0.00 C +ATOM 77 CA PRO A 77 268.915 253.026 236.289 1.00 0.00 C +ATOM 78 CA SER A 78 267.995 251.663 239.726 1.00 0.00 C +ATOM 79 CA HIS A 79 270.847 251.952 242.235 1.00 0.00 C +ATOM 80 CA PRO A 80 272.239 254.718 244.455 1.00 0.00 C +ATOM 81 CA THR A 81 275.695 256.134 243.706 1.00 0.00 C +ATOM 82 CA THR A 82 279.244 254.800 243.330 1.00 0.00 C +ATOM 83 CA LYS A 83 280.227 251.857 245.541 1.00 0.00 C +ATOM 84 CA PRO A 84 278.710 252.423 248.990 1.00 0.00 C +ATOM 85 CA SER A 85 275.002 251.951 249.728 1.00 0.00 C +ATOM 86 CA ASN A 86 272.053 250.493 251.648 1.00 0.00 C +ATOM 87 CA HIS A 87 270.605 248.342 254.440 1.00 0.00 C +ATOM 88 CA GLN A 88 271.075 245.024 256.251 1.00 0.00 C +ATOM 89 CA ALA A 89 269.921 242.068 258.360 1.00 0.00 C +ATOM 90 CA ILE A 90 268.991 239.320 255.889 1.00 0.00 C +ATOM 91 CA GLN A 91 268.407 240.814 252.433 1.00 0.00 C +ATOM 92 CA PRO A 92 265.288 243.002 252.487 1.00 0.00 C +ATOM 93 CA PRO A 93 263.014 244.539 255.129 1.00 0.00 C +ATOM 94 CA SER A 94 259.649 246.066 256.056 1.00 0.00 C +ATOM 95 CA HIS A 95 258.488 249.077 254.030 1.00 0.00 C +ATOM 96 CA PRO A 96 256.289 251.099 251.665 1.00 0.00 C +ATOM 97 CA THR A 97 255.863 254.557 253.205 1.00 0.00 C +ATOM 98 CA THR A 98 253.570 256.970 255.058 1.00 0.00 C +ATOM 99 CA ASN A 99 251.316 259.367 253.136 1.00 0.00 C +ATOM 100 CA SER A 100 248.227 261.433 252.299 1.00 0.00 C +ATOM 101 CA THR A 101 244.743 262.025 250.873 1.00 0.00 C +ATOM 102 CA THR A 102 241.089 261.615 251.871 1.00 0.00 C +ATOM 103 CA GLN A 103 238.574 263.021 249.379 1.00 0.00 C +ATOM 104 CA LEU A 104 237.434 265.234 246.495 1.00 0.00 C +ATOM 105 CA TYR A 105 234.121 265.891 244.732 1.00 0.00 C +ATOM 106 CA ASN A 106 230.964 264.019 245.754 1.00 0.00 C +ATOM 107 CA TYR A 107 227.455 263.143 246.953 1.00 0.00 C +ATOM 108 CA GLN A 108 225.377 260.393 245.328 1.00 0.00 C +ATOM 109 CA ASN A 109 226.913 257.007 244.499 1.00 0.00 C +ATOM 110 CA ASN A 110 226.094 253.308 244.097 1.00 0.00 C +ATOM 111 CA THR A 111 226.951 251.711 247.448 1.00 0.00 C +ATOM 112 CA PRO A 112 227.095 253.913 250.554 1.00 0.00 C +ATOM 113 CA GLN A 113 228.319 253.940 254.162 1.00 0.00 C +ATOM 114 CA PRO A 114 231.052 255.892 255.960 1.00 0.00 C +ATOM 115 CA PRO A 115 233.883 255.047 258.366 1.00 0.00 C +ATOM 116 CA GLN A 116 236.696 254.302 260.826 1.00 0.00 C +ATOM 117 CA PRO A 117 240.283 255.526 260.434 1.00 0.00 C +ATOM 118 CA SER A 118 242.882 253.314 262.127 1.00 0.00 C +ATOM 119 CA MET A 119 246.678 253.464 262.420 1.00 0.00 C +ATOM 120 CA PRO A 120 248.241 249.995 262.227 1.00 0.00 C +ATOM 121 CA ASP A 121 245.742 247.234 261.423 1.00 0.00 C +ATOM 122 CA PHE A 122 245.389 246.587 257.685 1.00 0.00 C +ATOM 123 CA THR A 123 244.971 248.612 254.485 1.00 0.00 C +ATOM 124 CA THR A 124 246.934 248.808 251.225 1.00 0.00 C +ATOM 125 CA TRP A 125 246.786 246.199 248.452 1.00 0.00 C +ATOM 126 CA PRO A 126 248.302 242.844 249.433 1.00 0.00 C +ATOM 127 CA TRP A 127 251.360 243.407 251.635 1.00 0.00 C +ATOM 128 CA SER A 128 252.659 241.856 254.863 1.00 0.00 C +ATOM 129 CA ARG A 129 253.716 238.727 256.763 1.00 0.00 C +ATOM 130 CA TYR A 130 251.238 235.864 256.338 1.00 0.00 C +ATOM 131 CA HIS A 131 247.836 237.511 255.856 1.00 0.00 C +ATOM 132 CA HIS A 132 245.128 236.608 253.333 1.00 0.00 C +ATOM 133 CA PRO A 133 244.957 235.252 249.776 1.00 0.00 C +ATOM 134 CA SER A 134 242.242 235.629 247.130 1.00 0.00 C +ATOM 135 CA ARG A 135 243.732 237.607 244.234 1.00 0.00 C +ATOM 136 CA PRO A 136 243.391 235.468 241.099 1.00 0.00 C +ATOM 137 CA ASP A 137 241.362 234.238 238.119 1.00 0.00 C +ATOM 138 CA PRO A 138 241.671 230.617 236.975 1.00 0.00 C +ATOM 139 CA GLY A 139 245.030 228.875 237.426 1.00 0.00 C +ATOM 140 CA PHE A 140 244.980 225.745 235.254 1.00 0.00 C +ATOM 141 CA ARG A 141 246.867 226.300 231.991 1.00 0.00 C +ATOM 142 CA PRO A 142 245.650 225.908 228.402 1.00 0.00 C +ATOM 143 CA ASP A 143 244.895 229.420 227.131 1.00 0.00 C +ATOM 144 CA GLN A 144 241.922 231.750 226.632 1.00 0.00 C +ATOM 145 CA TYR A 145 238.145 231.472 227.052 1.00 0.00 C +ATOM 146 CA PRO A 146 237.477 230.322 230.623 1.00 0.00 C +ATOM 147 CA GLY A 147 234.232 231.901 231.845 1.00 0.00 C +ATOM 148 CA ARG A 148 231.154 233.993 232.662 1.00 0.00 C +ATOM 149 CA ASN A 149 227.818 233.171 234.310 1.00 0.00 C +ATOM 150 CA THR A 150 226.632 229.958 235.978 1.00 0.00 C +ATOM 151 CA PRO A 151 226.791 228.241 239.375 1.00 0.00 C +ATOM 152 CA ALA A 152 228.067 225.512 241.708 1.00 0.00 C +ATOM 153 CA THR A 153 229.590 222.193 242.795 1.00 0.00 C +ATOM 154 CA SER A 154 231.019 222.483 246.315 1.00 0.00 C +ATOM 155 CA ALA A 155 234.369 220.882 247.170 1.00 0.00 C +ATOM 156 CA ARG A 156 233.635 217.247 248.044 1.00 0.00 C +ATOM 157 CA LEU A 157 234.129 213.679 249.285 1.00 0.00 C +ATOM 158 CA LEU A 158 237.752 212.743 250.003 1.00 0.00 C +ATOM 159 CA GLY A 159 240.747 213.925 247.965 1.00 0.00 C +ATOM 160 CA THR A 160 243.864 211.766 247.590 1.00 0.00 C +ATOM 161 CA HIS A 161 246.834 213.319 249.402 1.00 0.00 C +ATOM 162 CA PHE A 162 248.354 216.807 249.603 1.00 0.00 C +ATOM 163 CA PRO A 163 248.596 217.861 253.256 1.00 0.00 C +ATOM 164 CA ASP A 164 249.844 217.268 256.807 1.00 0.00 C +ATOM 165 CA ARG A 165 249.863 216.315 260.496 1.00 0.00 C +ATOM 166 CA SER A 166 251.728 213.704 262.550 1.00 0.00 C +ATOM 167 CA TYR A 167 252.228 214.922 266.125 1.00 0.00 C +ATOM 168 CA SER A 168 251.902 214.531 269.901 1.00 0.00 C +ATOM 169 CA ALA A 169 249.420 215.004 272.753 1.00 0.00 C +ATOM 170 CA ASP A 170 248.726 211.672 274.463 1.00 0.00 C +ATOM 171 CA TYR A 171 251.841 209.480 274.385 1.00 0.00 C +ATOM 172 CA THR A 172 253.315 205.981 274.071 1.00 0.00 C +ATOM 173 CA GLN A 173 251.101 203.607 276.065 1.00 0.00 C +ATOM 174 CA SER A 174 248.321 202.786 278.538 1.00 0.00 C +ATOM 175 CA ALA A 175 247.173 200.041 280.918 1.00 0.00 C +ATOM 176 CA ASN A 176 244.252 197.944 279.661 1.00 0.00 C +ATOM 177 CA ARG A 177 241.156 198.313 281.851 1.00 0.00 C +ATOM 178 CA ALA A 178 238.330 200.600 280.711 1.00 0.00 C +ATOM 179 CA PRO A 179 237.787 202.682 277.567 1.00 0.00 C +ATOM 180 CA LEU A 180 238.258 201.321 274.039 1.00 0.00 C +ATOM 181 CA ARG A 181 237.048 203.359 271.057 1.00 0.00 C +ATOM 182 CA ASP A 182 235.463 204.810 267.910 1.00 0.00 C +ATOM 183 CA GLU A 183 236.672 207.560 265.567 1.00 0.00 C +ATOM 184 CA ARG A 184 239.608 205.977 263.726 1.00 0.00 C +ATOM 185 CA PRO A 185 240.942 203.883 260.835 1.00 0.00 C +ATOM 186 CA GLY A 186 242.542 202.500 257.666 1.00 0.00 C +ATOM 187 CA GLY A 187 240.502 202.393 254.451 1.00 0.00 C +TER 188 GLY A 187 +END diff --git a/Fungi/A0A8H7M7M6/A0A8H7M7M6.dcd b/Fungi/A0A8H7M7M6/A0A8H7M7M6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..4d3f40b6eff2143852dab05f9ecf2ba25f011c5c --- /dev/null +++ b/Fungi/A0A8H7M7M6/A0A8H7M7M6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8ae23c39378f1e2c07bce4b8139879a36646226e8fcfc01cea416a611c1f17e0 +size 9560276 diff --git a/Fungi/A0A8H7M7M6/top.pdb b/Fungi/A0A8H7M7M6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ee510a902d85055e2a6c8f325cc1c81f9da0b88a --- /dev/null +++ b/Fungi/A0A8H7M7M6/top.pdb @@ -0,0 +1,77 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 260.661 225.340 257.926 1.00 0.00 C +ATOM 2 CA THR A 2 258.067 227.556 259.622 1.00 0.00 C +ATOM 3 CA ILE A 3 258.472 231.262 258.835 1.00 0.00 C +ATOM 4 CA SER A 4 255.275 233.317 259.097 1.00 0.00 C +ATOM 5 CA GLY A 5 251.751 234.195 257.944 1.00 0.00 C +ATOM 6 CA ASN A 6 248.639 231.999 258.033 1.00 0.00 C +ATOM 7 CA ALA A 7 246.042 229.491 259.249 1.00 0.00 C +ATOM 8 CA GLY A 8 242.796 229.259 261.230 1.00 0.00 C +ATOM 9 CA TYR A 9 239.035 229.626 260.743 1.00 0.00 C +ATOM 10 CA GLU A 10 236.655 230.916 258.062 1.00 0.00 C +ATOM 11 CA LYS A 11 234.924 234.294 258.399 1.00 0.00 C +ATOM 12 CA GLY A 12 232.516 234.951 261.277 1.00 0.00 C +ATOM 13 CA GLY A 13 229.087 234.055 262.675 1.00 0.00 C +ATOM 14 CA GLY A 14 227.887 234.064 266.291 1.00 0.00 C +ATOM 15 CA VAL A 15 225.816 233.140 269.352 1.00 0.00 C +ATOM 16 CA ARG A 16 227.609 234.304 272.506 1.00 0.00 C +ATOM 17 CA GLU A 17 230.147 233.763 275.296 1.00 0.00 C +ATOM 18 CA ARG A 18 232.306 236.584 276.673 1.00 0.00 C +ATOM 19 CA ILE A 19 234.468 239.449 277.950 1.00 0.00 C +ATOM 20 CA ASP A 20 232.035 242.241 278.847 1.00 0.00 C +ATOM 21 CA ARG A 21 229.369 241.871 281.543 1.00 0.00 C +ATOM 22 CA VAL A 22 228.952 243.867 284.762 1.00 0.00 C +ATOM 23 CA GLU A 23 231.493 246.647 285.339 1.00 0.00 C +ATOM 24 CA VAL A 24 233.573 249.813 284.934 1.00 0.00 C +ATOM 25 CA ALA A 25 237.366 250.068 284.680 1.00 0.00 C +ATOM 26 CA GLY A 26 241.150 250.264 285.075 1.00 0.00 C +ATOM 27 CA ASP A 27 242.267 253.904 285.212 1.00 0.00 C +ATOM 28 CA GLU A 28 240.897 255.664 282.123 1.00 0.00 C +ATOM 29 CA ARG A 29 238.597 254.717 279.236 1.00 0.00 C +ATOM 30 CA GLY A 30 236.914 253.444 276.064 1.00 0.00 C +ATOM 31 CA ARG A 31 236.861 250.754 273.367 1.00 0.00 C +ATOM 32 CA HIS A 32 238.692 251.294 270.069 1.00 0.00 C +ATOM 33 CA GLU A 33 238.606 254.108 267.502 1.00 0.00 C +ATOM 34 CA ASN A 34 242.010 255.726 266.944 1.00 0.00 C +ATOM 35 CA VAL A 35 244.330 254.916 269.856 1.00 0.00 C +ATOM 36 CA PRO A 36 247.540 252.900 269.469 1.00 0.00 C +ATOM 37 CA LYS A 37 249.195 252.983 266.039 1.00 0.00 C +ATOM 38 CA ARG A 38 248.909 254.765 262.683 1.00 0.00 C +ATOM 39 CA ASP A 39 249.520 258.513 262.374 1.00 0.00 C +ATOM 40 CA GLU A 40 251.252 259.029 259.019 1.00 0.00 C +ATOM 41 CA HIS A 41 250.962 258.652 255.239 1.00 0.00 C +ATOM 42 CA GLU A 42 252.642 259.296 251.881 1.00 0.00 C +ATOM 43 CA GLU A 43 252.177 262.501 249.874 1.00 0.00 C +ATOM 44 CA PRO A 44 254.168 264.767 247.547 1.00 0.00 C +ATOM 45 CA GLY A 45 256.364 266.461 244.935 1.00 0.00 C +ATOM 46 CA TRP A 46 257.788 269.393 242.961 1.00 0.00 C +ATOM 47 CA ALA A 47 254.906 271.062 241.111 1.00 0.00 C +ATOM 48 CA THR A 48 251.528 269.780 242.322 1.00 0.00 C +ATOM 49 CA ASP A 49 247.719 269.704 242.266 1.00 0.00 C +ATOM 50 CA SER A 50 246.871 266.745 240.020 1.00 0.00 C +ATOM 51 CA THR A 51 247.974 265.615 236.553 1.00 0.00 C +ATOM 52 CA GLY A 52 249.816 267.396 233.733 1.00 0.00 C +ATOM 53 CA ALA A 53 253.182 266.086 232.521 1.00 0.00 C +ATOM 54 CA TRP A 54 255.626 263.872 230.612 1.00 0.00 C +ATOM 55 CA GLN A 55 256.725 264.524 227.023 1.00 0.00 C +ATOM 56 CA HIS A 56 257.838 262.285 224.148 1.00 0.00 C +ATOM 57 CA ARG A 57 258.540 260.675 220.767 1.00 0.00 C +ATOM 58 CA LEU A 58 260.738 261.745 217.844 1.00 0.00 C +ATOM 59 CA LEU A 59 260.456 264.140 214.894 1.00 0.00 C +ATOM 60 CA GLY A 60 263.719 265.995 214.240 1.00 0.00 C +ATOM 61 CA ALA A 61 267.514 265.769 213.982 1.00 0.00 C +ATOM 62 CA HIS A 62 271.150 265.195 213.002 1.00 0.00 C +ATOM 63 CA ASP A 63 272.273 262.613 210.435 1.00 0.00 C +ATOM 64 CA PRO A 64 271.514 258.879 210.461 1.00 0.00 C +ATOM 65 CA SER A 65 273.356 256.667 212.957 1.00 0.00 C +ATOM 66 CA CYS A 66 271.525 253.355 213.392 1.00 0.00 C +ATOM 67 CA GLY A 67 271.990 249.726 214.454 1.00 0.00 C +ATOM 68 CA ALA A 68 274.045 246.521 214.305 1.00 0.00 C +ATOM 69 CA GLY A 69 275.018 242.837 214.273 1.00 0.00 C +ATOM 70 CA GLN A 70 273.765 239.727 212.464 1.00 0.00 C +ATOM 71 CA ALA A 71 274.215 236.759 210.118 1.00 0.00 C +ATOM 72 CA TRP A 72 276.197 234.031 208.345 1.00 0.00 C +ATOM 73 CA SER A 73 276.018 232.173 205.023 1.00 0.00 C +TER 74 SER A 73 +END diff --git a/Fungi/A0A8H7MDY0/A0A8H7MDY0.dcd b/Fungi/A0A8H7MDY0/A0A8H7MDY0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..901b5eb7da1be21b0df6ac3eb9b67b0ef6469e15 --- /dev/null +++ b/Fungi/A0A8H7MDY0/A0A8H7MDY0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0d17a00f91be7377e8b5708342eed38b90673ea2615a37f394503faa3b41078a +size 20720276 diff --git a/Fungi/A0A8H7MDY0/top.pdb b/Fungi/A0A8H7MDY0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9a0a1f3717533d1afca446fa15592394ca35d38d --- /dev/null +++ b/Fungi/A0A8H7MDY0/top.pdb @@ -0,0 +1,170 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 253.578 222.676 181.872 1.00 0.00 C +ATOM 2 CA THR A 2 253.784 219.033 182.970 1.00 0.00 C +ATOM 3 CA LYS A 3 256.351 218.501 185.734 1.00 0.00 C +ATOM 4 CA ARG A 4 258.336 221.151 187.618 1.00 0.00 C +ATOM 5 CA HIS A 5 257.177 222.892 190.802 1.00 0.00 C +ATOM 6 CA PRO A 6 256.044 226.486 190.235 1.00 0.00 C +ATOM 7 CA SER A 7 256.622 229.440 192.570 1.00 0.00 C +ATOM 8 CA LEU A 8 256.048 231.122 195.940 1.00 0.00 C +ATOM 9 CA ARG A 9 257.654 228.988 198.657 1.00 0.00 C +ATOM 10 CA LYS A 10 258.227 226.285 201.280 1.00 0.00 C +ATOM 11 CA ALA A 11 257.260 227.188 204.853 1.00 0.00 C +ATOM 12 CA ALA A 12 260.213 226.257 207.072 1.00 0.00 C +ATOM 13 CA SER A 13 260.213 224.177 210.264 1.00 0.00 C +ATOM 14 CA ASN A 14 262.036 221.378 212.096 1.00 0.00 C +ATOM 15 CA ALA A 15 264.143 218.634 210.498 1.00 0.00 C +ATOM 16 CA ASP A 16 267.857 217.784 210.461 1.00 0.00 C +ATOM 17 CA LEU A 17 270.452 218.539 213.145 1.00 0.00 C +ATOM 18 CA TYR A 18 271.524 222.117 213.898 1.00 0.00 C +ATOM 19 CA ALA A 19 274.701 224.196 213.577 1.00 0.00 C +ATOM 20 CA ASP A 20 274.190 227.538 211.821 1.00 0.00 C +ATOM 21 CA PRO A 21 273.067 228.763 208.393 1.00 0.00 C +ATOM 22 CA SER A 22 271.832 232.283 207.617 1.00 0.00 C +ATOM 23 CA PRO A 23 268.476 234.083 207.528 1.00 0.00 C +ATOM 24 CA PRO A 24 265.274 233.206 209.397 1.00 0.00 C +ATOM 25 CA PRO A 25 264.698 234.434 212.958 1.00 0.00 C +ATOM 26 CA GLN A 26 265.069 232.630 216.293 1.00 0.00 C +ATOM 27 CA GLN A 27 264.775 229.098 217.690 1.00 0.00 C +ATOM 28 CA LEU A 28 262.370 226.996 215.614 1.00 0.00 C +ATOM 29 CA ARG A 29 258.823 228.371 215.406 1.00 0.00 C +ATOM 30 CA HIS A 30 256.285 229.098 218.153 1.00 0.00 C +ATOM 31 CA ALA A 31 257.864 228.260 221.518 1.00 0.00 C +ATOM 32 CA HIS A 32 260.116 231.138 222.596 1.00 0.00 C +ATOM 33 CA SER A 33 258.005 234.115 223.689 1.00 0.00 C +ATOM 34 CA THR A 34 255.703 236.751 222.182 1.00 0.00 C +ATOM 35 CA LEU A 35 251.934 236.487 222.668 1.00 0.00 C +ATOM 36 CA SER A 36 248.401 237.774 222.052 1.00 0.00 C +ATOM 37 CA ARG A 37 244.781 237.366 223.171 1.00 0.00 C +ATOM 38 CA SER A 38 241.897 238.436 225.418 1.00 0.00 C +ATOM 39 CA HIS A 39 241.569 236.132 228.435 1.00 0.00 C +ATOM 40 CA THR A 40 238.108 236.277 230.021 1.00 0.00 C +ATOM 41 CA THR A 41 236.944 239.242 232.110 1.00 0.00 C +ATOM 42 CA ALA A 42 234.251 241.882 231.568 1.00 0.00 C +ATOM 43 CA ASP A 43 230.857 240.157 231.421 1.00 0.00 C +ATOM 44 CA SER A 44 229.033 238.955 228.299 1.00 0.00 C +ATOM 45 CA PHE A 45 228.368 235.226 228.710 1.00 0.00 C +ATOM 46 CA THR A 46 225.149 233.194 228.877 1.00 0.00 C +ATOM 47 CA HIS A 47 225.323 229.560 230.008 1.00 0.00 C +ATOM 48 CA ARG A 48 228.890 229.064 231.252 1.00 0.00 C +ATOM 49 CA ALA A 49 230.128 231.385 234.008 1.00 0.00 C +ATOM 50 CA LEU A 50 233.389 229.817 235.201 1.00 0.00 C +ATOM 51 CA ALA A 51 236.494 227.848 236.198 1.00 0.00 C +ATOM 52 CA ARG A 52 239.276 229.207 238.419 1.00 0.00 C +ATOM 53 CA TRP A 53 242.967 228.991 237.499 1.00 0.00 C +ATOM 54 CA GLU A 54 246.643 229.822 238.060 1.00 0.00 C +ATOM 55 CA HIS A 55 248.355 232.385 235.819 1.00 0.00 C +ATOM 56 CA ARG A 56 250.607 234.613 237.935 1.00 0.00 C +ATOM 57 CA LEU A 57 254.022 234.714 236.249 1.00 0.00 C +ATOM 58 CA ASN A 58 257.819 234.403 236.261 1.00 0.00 C +ATOM 59 CA GLN A 59 259.223 236.889 238.783 1.00 0.00 C +ATOM 60 CA THR A 60 262.823 236.423 239.940 1.00 0.00 C +ATOM 61 CA THR A 61 264.714 239.513 241.119 1.00 0.00 C +ATOM 62 CA ASP A 62 267.858 241.236 242.409 1.00 0.00 C +ATOM 63 CA GLU A 63 269.693 243.925 244.388 1.00 0.00 C +ATOM 64 CA GLY A 64 269.134 245.576 247.776 1.00 0.00 C +ATOM 65 CA GLN A 65 268.738 245.722 251.563 1.00 0.00 C +ATOM 66 CA ALA A 66 268.755 246.602 255.270 1.00 0.00 C +ATOM 67 CA ARG A 67 266.962 248.545 258.013 1.00 0.00 C +ATOM 68 CA HIS A 68 263.757 249.684 259.730 1.00 0.00 C +ATOM 69 CA SER A 69 264.797 250.680 263.257 1.00 0.00 C +ATOM 70 CA PHE A 70 267.996 252.213 264.647 1.00 0.00 C +ATOM 71 CA ALA A 71 270.685 249.762 265.778 1.00 0.00 C +ATOM 72 CA ALA A 72 269.475 246.161 265.475 1.00 0.00 C +ATOM 73 CA SER A 73 270.900 242.655 265.037 1.00 0.00 C +ATOM 74 CA TYR A 74 273.336 241.346 262.417 1.00 0.00 C +ATOM 75 CA ARG A 75 274.296 237.979 260.915 1.00 0.00 C +ATOM 76 CA ASN A 76 277.818 236.668 261.543 1.00 0.00 C +ATOM 77 CA ARG A 77 280.190 239.470 262.560 1.00 0.00 C +ATOM 78 CA ARG A 78 282.779 240.397 265.197 1.00 0.00 C +ATOM 79 CA ASP A 79 284.495 239.627 268.511 1.00 0.00 C +ATOM 80 CA ASP A 80 285.464 240.578 272.071 1.00 0.00 C +ATOM 81 CA ASN A 81 286.723 239.416 275.474 1.00 0.00 C +ATOM 82 CA ASP A 82 286.476 241.681 278.528 1.00 0.00 C +ATOM 83 CA ASN A 83 288.022 243.976 281.147 1.00 0.00 C +ATOM 84 CA ASP A 84 287.883 247.678 282.038 1.00 0.00 C +ATOM 85 CA ASN A 85 286.573 250.363 284.402 1.00 0.00 C +ATOM 86 CA ASP A 86 285.678 249.351 287.965 1.00 0.00 C +ATOM 87 CA ASN A 87 281.927 248.772 288.299 1.00 0.00 C +ATOM 88 CA ASN A 88 279.471 250.212 285.768 1.00 0.00 C +ATOM 89 CA ASN A 89 276.391 252.344 285.075 1.00 0.00 C +ATOM 90 CA ASP A 90 272.978 252.168 286.760 1.00 0.00 C +ATOM 91 CA ASP A 91 269.469 250.714 287.052 1.00 0.00 C +ATOM 92 CA ASP A 92 267.854 249.098 290.101 1.00 0.00 C +ATOM 93 CA ASP A 93 264.386 247.663 290.752 1.00 0.00 C +ATOM 94 CA ASP A 94 263.024 246.297 294.038 1.00 0.00 C +ATOM 95 CA PHE A 95 263.775 247.228 297.655 1.00 0.00 C +ATOM 96 CA ARG A 96 261.847 246.168 300.766 1.00 0.00 C +ATOM 97 CA PRO A 97 259.040 243.681 301.435 1.00 0.00 C +ATOM 98 CA ASN A 98 255.517 244.890 300.634 1.00 0.00 C +ATOM 99 CA ARG A 99 255.072 245.153 296.859 1.00 0.00 C +ATOM 100 CA HIS A 100 251.513 244.701 295.576 1.00 0.00 C +ATOM 101 CA ARG A 101 249.250 241.655 295.230 1.00 0.00 C +ATOM 102 CA GLN A 102 247.545 238.463 294.039 1.00 0.00 C +ATOM 103 CA ARG A 103 244.962 238.412 291.238 1.00 0.00 C +ATOM 104 CA LEU A 104 243.690 241.580 289.546 1.00 0.00 C +ATOM 105 CA GLN A 105 243.394 245.058 288.020 1.00 0.00 C +ATOM 106 CA LYS A 106 241.380 247.102 285.514 1.00 0.00 C +ATOM 107 CA GLN A 107 238.471 245.565 283.593 1.00 0.00 C +ATOM 108 CA SER A 108 236.499 246.023 280.366 1.00 0.00 C +ATOM 109 CA LEU A 109 234.114 248.993 280.325 1.00 0.00 C +ATOM 110 CA PRO A 110 234.860 251.227 277.330 1.00 0.00 C +ATOM 111 CA PRO A 111 235.902 250.842 273.685 1.00 0.00 C +ATOM 112 CA VAL A 112 233.329 252.784 271.655 1.00 0.00 C +ATOM 113 CA PRO A 113 229.891 251.842 273.000 1.00 0.00 C +ATOM 114 CA PRO A 114 228.829 254.721 275.258 1.00 0.00 C +ATOM 115 CA LYS A 115 230.322 257.814 273.608 1.00 0.00 C +ATOM 116 CA ILE A 116 231.669 259.272 270.356 1.00 0.00 C +ATOM 117 CA LEU A 117 232.519 262.538 268.588 1.00 0.00 C +ATOM 118 CA GLU A 118 234.786 264.574 270.876 1.00 0.00 C +ATOM 119 CA GLU A 119 236.726 267.027 273.052 1.00 0.00 C +ATOM 120 CA PRO A 120 238.681 267.916 276.199 1.00 0.00 C +ATOM 121 CA PRO A 121 240.562 268.272 279.492 1.00 0.00 C +ATOM 122 CA ILE A 122 238.528 266.641 282.271 1.00 0.00 C +ATOM 123 CA PRO A 123 234.781 266.005 282.529 1.00 0.00 C +ATOM 124 CA ALA A 124 231.425 267.057 283.995 1.00 0.00 C +ATOM 125 CA PRO A 125 231.067 267.045 287.789 1.00 0.00 C +ATOM 126 CA LEU A 126 228.161 269.405 288.495 1.00 0.00 C +ATOM 127 CA LEU A 127 225.829 270.075 285.558 1.00 0.00 C +ATOM 128 CA GLU A 128 226.057 269.621 281.782 1.00 0.00 C +ATOM 129 CA PHE A 129 225.312 267.712 278.570 1.00 0.00 C +ATOM 130 CA ARG A 130 224.848 267.213 274.822 1.00 0.00 C +ATOM 131 CA ASP A 131 227.408 268.985 272.626 1.00 0.00 C +ATOM 132 CA GLY A 132 230.034 270.808 270.554 1.00 0.00 C +ATOM 133 CA GLN A 133 231.545 271.971 267.255 1.00 0.00 C +ATOM 134 CA TYR A 134 233.631 274.262 265.038 1.00 0.00 C +ATOM 135 CA ARG A 135 235.985 277.258 265.010 1.00 0.00 C +ATOM 136 CA LEU A 136 235.366 279.459 261.962 1.00 0.00 C +ATOM 137 CA PRO A 137 232.245 279.553 259.779 1.00 0.00 C +ATOM 138 CA ALA A 138 229.604 281.843 261.293 1.00 0.00 C +ATOM 139 CA PRO A 139 226.451 281.985 263.427 1.00 0.00 C +ATOM 140 CA LYS A 140 223.520 283.105 265.588 1.00 0.00 C +ATOM 141 CA PRO A 141 222.959 286.704 266.706 1.00 0.00 C +ATOM 142 CA ALA A 142 223.417 290.478 266.457 1.00 0.00 C +ATOM 143 CA SER A 143 223.875 291.452 262.802 1.00 0.00 C +ATOM 144 CA LYS A 144 223.038 293.320 259.589 1.00 0.00 C +ATOM 145 CA PRO A 145 224.254 295.470 256.688 1.00 0.00 C +ATOM 146 CA ALA A 146 226.388 298.087 254.924 1.00 0.00 C +ATOM 147 CA PRO A 147 229.825 299.714 254.682 1.00 0.00 C +ATOM 148 CA SER A 148 231.878 298.853 251.590 1.00 0.00 C +ATOM 149 CA HIS A 149 233.713 295.802 250.234 1.00 0.00 C +ATOM 150 CA PRO A 150 232.034 292.744 251.766 1.00 0.00 C +ATOM 151 CA TRP A 151 229.256 291.394 249.536 1.00 0.00 C +ATOM 152 CA LEU A 152 228.752 289.908 246.064 1.00 0.00 C +ATOM 153 CA PRO A 153 231.507 288.420 243.893 1.00 0.00 C +ATOM 154 CA ALA A 154 230.481 288.924 240.259 1.00 0.00 C +ATOM 155 CA GLN A 155 233.300 288.095 237.834 1.00 0.00 C +ATOM 156 CA LEU A 156 232.157 286.411 234.613 1.00 0.00 C +ATOM 157 CA PRO A 157 234.628 283.900 233.164 1.00 0.00 C +ATOM 158 CA PRO A 158 236.261 280.672 231.966 1.00 0.00 C +ATOM 159 CA ALA A 159 238.398 277.662 232.906 1.00 0.00 C +ATOM 160 CA PRO A 160 239.947 275.166 235.333 1.00 0.00 C +ATOM 161 CA ALA A 161 241.767 272.512 237.372 1.00 0.00 C +ATOM 162 CA PRO A 162 242.994 269.009 238.234 1.00 0.00 C +ATOM 163 CA PRO A 163 244.462 266.393 235.885 1.00 0.00 C +ATOM 164 CA PRO A 164 247.713 264.793 237.060 1.00 0.00 C +ATOM 165 CA PRO A 165 247.487 261.235 238.403 1.00 0.00 C +ATOM 166 CA PRO A 166 248.858 261.446 241.951 1.00 0.00 C +TER 167 PRO A 166 +END diff --git a/Fungi/A0A8H7MEK8/A0A8H7MEK8.dcd b/Fungi/A0A8H7MEK8/A0A8H7MEK8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a421983f751e52e9c734959d921522da5827a058 --- /dev/null +++ b/Fungi/A0A8H7MEK8/A0A8H7MEK8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0fa2577ee94ddd4abf4628df9590d6451394a16488209e73ad74502917eb6a01 +size 41340276 diff --git a/Fungi/A0A8H7MEK8/top.pdb b/Fungi/A0A8H7MEK8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..685cdb999e86edb24d6a02c888f979a78dacf5ad --- /dev/null +++ b/Fungi/A0A8H7MEK8/top.pdb @@ -0,0 +1,227 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 295.605 240.344 187.510 1.00 0.00 C +ATOM 2 CA SER A 2 294.768 243.890 188.625 1.00 0.00 C +ATOM 3 CA ARG A 3 297.198 246.127 190.524 1.00 0.00 C +ATOM 4 CA HIS A 4 299.982 248.346 189.168 1.00 0.00 C +ATOM 5 CA PRO A 5 299.798 251.995 188.086 1.00 0.00 C +ATOM 6 CA ARG A 6 296.707 253.878 186.898 1.00 0.00 C +ATOM 7 CA ARG A 7 293.972 255.429 189.050 1.00 0.00 C +ATOM 8 CA GLU A 8 291.098 253.717 190.874 1.00 0.00 C +ATOM 9 CA THR A 9 290.169 250.637 192.914 1.00 0.00 C +ATOM 10 CA TYR A 10 290.499 246.844 192.767 1.00 0.00 C +ATOM 11 CA GLY A 11 291.901 243.575 194.131 1.00 0.00 C +ATOM 12 CA ASP A 12 289.310 241.153 195.523 1.00 0.00 C +ATOM 13 CA GLY A 13 288.695 237.604 196.767 1.00 0.00 C +ATOM 14 CA GLN A 14 286.479 234.839 195.366 1.00 0.00 C +ATOM 15 CA TYR A 15 283.025 233.243 195.179 1.00 0.00 C +ATOM 16 CA MET A 16 279.980 233.421 197.462 1.00 0.00 C +ATOM 17 CA TYR A 17 276.720 233.190 195.504 1.00 0.00 C +ATOM 18 CA ASP A 18 273.116 234.218 194.822 1.00 0.00 C +ATOM 19 CA ASP A 19 269.486 233.790 193.745 1.00 0.00 C +ATOM 20 CA ARG A 20 266.674 234.849 196.086 1.00 0.00 C +ATOM 21 CA TYR A 21 263.855 233.517 198.277 1.00 0.00 C +ATOM 22 CA ASP A 22 260.751 235.665 197.756 1.00 0.00 C +ATOM 23 CA ALA A 23 260.829 239.439 198.275 1.00 0.00 C +ATOM 24 CA GLY A 24 260.445 243.220 198.551 1.00 0.00 C +ATOM 25 CA GLU A 25 259.074 245.194 201.507 1.00 0.00 C +ATOM 26 CA PHE A 26 260.316 245.173 205.108 1.00 0.00 C +ATOM 27 CA GLU A 27 261.130 242.598 207.796 1.00 0.00 C +ATOM 28 CA THR A 28 259.224 239.332 208.266 1.00 0.00 C +ATOM 29 CA TYR A 29 261.018 237.050 210.733 1.00 0.00 C +ATOM 30 CA GLY A 30 264.079 238.187 212.697 1.00 0.00 C +ATOM 31 CA GLN A 31 262.984 241.183 214.780 1.00 0.00 C +ATOM 32 CA SER A 32 264.994 241.236 218.016 1.00 0.00 C +ATOM 33 CA THR A 33 268.079 243.153 219.167 1.00 0.00 C +ATOM 34 CA SER A 34 269.392 246.091 217.127 1.00 0.00 C +ATOM 35 CA ARG A 35 268.799 249.360 215.262 1.00 0.00 C +ATOM 36 CA GLY A 36 268.799 252.961 216.505 1.00 0.00 C +ATOM 37 CA ARG A 37 268.251 255.147 219.577 1.00 0.00 C +ATOM 38 CA GLY A 38 268.093 256.806 223.003 1.00 0.00 C +ATOM 39 CA PRO A 39 265.389 257.268 225.648 1.00 0.00 C +ATOM 40 CA SER A 40 264.595 260.604 227.310 1.00 0.00 C +ATOM 41 CA SER A 41 266.823 260.725 230.398 1.00 0.00 C +ATOM 42 CA GLY A 42 270.511 260.692 231.355 1.00 0.00 C +ATOM 43 CA GLU A 43 272.996 260.515 234.238 1.00 0.00 C +ATOM 44 CA PHE A 44 276.382 259.187 235.374 1.00 0.00 C +ATOM 45 CA TYR A 45 279.676 260.785 234.319 1.00 0.00 C +ATOM 46 CA HIS A 46 280.869 261.235 230.728 1.00 0.00 C +ATOM 47 CA GLY A 47 280.181 262.527 227.211 1.00 0.00 C +ATOM 48 CA GLN A 48 277.601 264.356 225.085 1.00 0.00 C +ATOM 49 CA SER A 49 274.452 263.834 223.005 1.00 0.00 C +ATOM 50 CA PRO A 50 271.503 263.866 225.418 1.00 0.00 C +ATOM 51 CA TYR A 51 270.685 267.367 226.679 1.00 0.00 C +ATOM 52 CA THR A 52 269.051 268.206 230.016 1.00 0.00 C +ATOM 53 CA THR A 53 265.303 268.562 229.431 1.00 0.00 C +ATOM 54 CA SER A 54 262.872 266.753 231.741 1.00 0.00 C +ATOM 55 CA SER A 55 262.568 269.000 234.802 1.00 0.00 C +ATOM 56 CA SER A 56 264.393 267.241 237.646 1.00 0.00 C +ATOM 57 CA SER A 57 267.041 264.687 238.638 1.00 0.00 C +ATOM 58 CA SER A 58 267.156 261.204 240.178 1.00 0.00 C +ATOM 59 CA ARG A 59 264.515 259.001 238.540 1.00 0.00 C +ATOM 60 CA ARG A 60 261.157 259.557 236.827 1.00 0.00 C +ATOM 61 CA GLY A 61 259.625 258.463 233.515 1.00 0.00 C +ATOM 62 CA PRO A 62 262.165 256.570 231.397 1.00 0.00 C +ATOM 63 CA TYR A 63 265.314 255.678 233.349 1.00 0.00 C +ATOM 64 CA ASP A 64 268.540 254.485 234.988 1.00 0.00 C +ATOM 65 CA THR A 65 268.047 253.919 238.723 1.00 0.00 C +ATOM 66 CA ASN A 66 267.821 251.153 241.333 1.00 0.00 C +ATOM 67 CA GLY A 67 269.127 247.877 242.776 1.00 0.00 C +ATOM 68 CA ASN A 68 267.786 244.479 241.693 1.00 0.00 C +ATOM 69 CA HIS A 69 264.885 242.014 241.839 1.00 0.00 C +ATOM 70 CA ARG A 70 264.437 239.659 238.878 1.00 0.00 C +ATOM 71 CA GLU A 71 267.489 238.226 237.103 1.00 0.00 C +ATOM 72 CA GLY A 72 268.564 234.857 238.521 1.00 0.00 C +ATOM 73 CA SER A 73 270.746 232.206 236.870 1.00 0.00 C +ATOM 74 CA TYR A 74 269.092 231.384 233.538 1.00 0.00 C +ATOM 75 CA ALA A 75 265.299 231.682 233.739 1.00 0.00 C +ATOM 76 CA GLY A 76 262.976 233.146 236.381 1.00 0.00 C +ATOM 77 CA GLU A 77 261.464 230.395 238.540 1.00 0.00 C +ATOM 78 CA GLU A 78 259.814 227.607 236.535 1.00 0.00 C +ATOM 79 CA SER A 79 258.724 227.475 232.886 1.00 0.00 C +ATOM 80 CA LEU A 80 257.931 224.430 230.737 1.00 0.00 C +ATOM 81 CA ARG A 81 254.533 222.801 231.300 1.00 0.00 C +ATOM 82 CA ARG A 82 250.836 222.910 230.388 1.00 0.00 C +ATOM 83 CA ARG A 83 248.726 223.509 233.504 1.00 0.00 C +ATOM 84 CA LEU A 84 248.609 224.501 237.180 1.00 0.00 C +ATOM 85 CA GLY A 85 245.476 225.973 238.772 1.00 0.00 C +ATOM 86 CA ARG A 86 243.559 229.235 238.320 1.00 0.00 C +ATOM 87 CA ASP A 87 240.857 231.053 240.296 1.00 0.00 C +ATOM 88 CA SER A 88 241.956 233.843 242.646 1.00 0.00 C +ATOM 89 CA TYR A 89 243.187 232.561 246.016 1.00 0.00 C +ATOM 90 CA GLY A 90 245.076 235.252 247.941 1.00 0.00 C +ATOM 91 CA HIS A 91 246.416 237.718 250.519 1.00 0.00 C +ATOM 92 CA ILE A 92 244.977 240.538 252.638 1.00 0.00 C +ATOM 93 CA ASP A 93 241.570 241.757 253.832 1.00 0.00 C +ATOM 94 CA ARG A 94 241.030 243.570 257.139 1.00 0.00 C +ATOM 95 CA SER A 95 242.155 246.583 259.182 1.00 0.00 C +ATOM 96 CA THR A 96 243.370 249.478 257.023 1.00 0.00 C +ATOM 97 CA PHE A 97 244.389 253.102 256.437 1.00 0.00 C +ATOM 98 CA ASN A 98 244.272 256.879 255.950 1.00 0.00 C +ATOM 99 CA GLU A 99 244.491 260.610 256.693 1.00 0.00 C +ATOM 100 CA THR A 100 246.817 263.413 255.577 1.00 0.00 C +ATOM 101 CA ASP A 101 247.919 266.670 253.936 1.00 0.00 C +ATOM 102 CA PRO A 102 249.947 269.548 252.478 1.00 0.00 C +ATOM 103 CA ARG A 103 249.099 272.576 250.327 1.00 0.00 C +ATOM 104 CA MET A 104 247.475 274.302 247.344 1.00 0.00 C +ATOM 105 CA ARG A 105 249.169 277.709 247.142 1.00 0.00 C +ATOM 106 CA LEU A 106 246.369 280.215 247.768 1.00 0.00 C +ATOM 107 CA GLY A 107 242.979 281.946 247.596 1.00 0.00 C +ATOM 108 CA ARG A 108 242.272 285.532 246.518 1.00 0.00 C +ATOM 109 CA ASP A 109 240.940 286.651 243.129 1.00 0.00 C +ATOM 110 CA ASN A 110 242.256 284.380 240.367 1.00 0.00 C +ATOM 111 CA ARG A 111 243.892 280.946 240.160 1.00 0.00 C +ATOM 112 CA SER A 112 244.031 277.544 238.450 1.00 0.00 C +ATOM 113 CA GLU A 113 244.475 276.362 234.856 1.00 0.00 C +ATOM 114 CA HIS A 114 247.422 274.644 233.158 1.00 0.00 C +ATOM 115 CA GLU A 115 249.557 277.225 231.343 1.00 0.00 C +ATOM 116 CA TYR A 116 248.300 279.181 228.325 1.00 0.00 C +ATOM 117 CA GLY A 117 248.946 277.282 225.085 1.00 0.00 C +ATOM 118 CA ARG A 118 250.616 273.958 225.912 1.00 0.00 C +ATOM 119 CA ARG A 119 249.588 270.836 223.985 1.00 0.00 C +ATOM 120 CA SER A 120 246.231 269.799 225.458 1.00 0.00 C +ATOM 121 CA GLY A 121 243.178 267.540 225.762 1.00 0.00 C +ATOM 122 CA LEU A 122 241.635 265.060 228.209 1.00 0.00 C +ATOM 123 CA SER A 123 244.179 264.614 231.010 1.00 0.00 C +ATOM 124 CA GLN A 124 247.858 265.604 230.974 1.00 0.00 C +ATOM 125 CA LEU A 125 248.262 267.935 233.960 1.00 0.00 C +ATOM 126 CA SER A 126 250.093 267.711 237.294 1.00 0.00 C +ATOM 127 CA ALA A 127 252.532 266.775 240.068 1.00 0.00 C +ATOM 128 CA GLU A 128 251.354 263.541 241.701 1.00 0.00 C +ATOM 129 CA GLY A 129 252.863 260.394 243.229 1.00 0.00 C +ATOM 130 CA ARG A 130 252.545 257.442 240.841 1.00 0.00 C +ATOM 131 CA GLU A 131 253.652 254.038 242.148 1.00 0.00 C +ATOM 132 CA ALA A 132 251.612 250.846 242.553 1.00 0.00 C +ATOM 133 CA ARG A 133 248.365 251.054 240.569 1.00 0.00 C +ATOM 134 CA ARG A 134 246.176 252.276 237.701 1.00 0.00 C +ATOM 135 CA GLU A 135 246.581 253.819 234.241 1.00 0.00 C +ATOM 136 CA ALA A 136 244.205 256.606 233.190 1.00 0.00 C +ATOM 137 CA HIS A 137 244.275 260.020 234.880 1.00 0.00 C +ATOM 138 CA ARG A 138 246.513 261.012 237.800 1.00 0.00 C +ATOM 139 CA GLU A 139 245.006 259.514 240.962 1.00 0.00 C +ATOM 140 CA GLU A 140 242.247 261.910 242.043 1.00 0.00 C +ATOM 141 CA PRO A 141 238.630 262.429 240.963 1.00 0.00 C +ATOM 142 CA ASP A 142 234.934 263.309 241.241 1.00 0.00 C +ATOM 143 CA ARG A 143 231.708 264.462 239.573 1.00 0.00 C +ATOM 144 CA LEU A 144 229.749 267.337 241.127 1.00 0.00 C +ATOM 145 CA GLU A 145 227.343 270.000 242.404 1.00 0.00 C +ATOM 146 CA GLN A 146 227.469 273.527 240.968 1.00 0.00 C +ATOM 147 CA ARG A 147 228.178 275.857 243.898 1.00 0.00 C +ATOM 148 CA ARG A 148 228.038 274.562 247.478 1.00 0.00 C +ATOM 149 CA GLN A 149 225.220 274.218 250.020 1.00 0.00 C +ATOM 150 CA ARG A 150 223.701 273.583 253.456 1.00 0.00 C +ATOM 151 CA ARG A 151 222.136 273.047 256.888 1.00 0.00 C +ATOM 152 CA ARG A 152 220.332 269.775 257.634 1.00 0.00 C +ATOM 153 CA GLU A 153 220.599 266.074 256.771 1.00 0.00 C +ATOM 154 CA ALA A 154 217.269 264.401 257.566 1.00 0.00 C +ATOM 155 CA ARG A 155 213.770 264.420 256.059 1.00 0.00 C +ATOM 156 CA THR A 156 210.981 262.575 257.885 1.00 0.00 C +ATOM 157 CA SER A 157 208.424 261.849 260.614 1.00 0.00 C +ATOM 158 CA ALA A 158 205.690 260.780 263.043 1.00 0.00 C +ATOM 159 CA PRO A 159 202.874 261.493 265.508 1.00 0.00 C +ATOM 160 CA THR A 160 204.150 263.763 268.289 1.00 0.00 C +ATOM 161 CA ALA A 161 207.788 264.675 267.621 1.00 0.00 C +ATOM 162 CA ASP A 162 209.198 267.608 269.603 1.00 0.00 C +ATOM 163 CA ASP A 163 209.187 268.300 273.350 1.00 0.00 C +ATOM 164 CA TYR A 164 210.174 265.377 275.585 1.00 0.00 C +ATOM 165 CA ALA A 165 212.565 262.601 276.630 1.00 0.00 C +ATOM 166 CA ASP A 166 210.847 260.522 279.322 1.00 0.00 C +ATOM 167 CA GLY A 167 210.107 257.322 281.253 1.00 0.00 C +ATOM 168 CA ASN A 168 208.854 255.914 284.564 1.00 0.00 C +ATOM 169 CA PRO A 169 209.095 256.217 288.354 1.00 0.00 C +ATOM 170 CA TYR A 170 209.040 253.588 291.111 1.00 0.00 C +ATOM 171 CA VAL A 171 208.077 250.020 292.037 1.00 0.00 C +ATOM 172 CA ARG A 172 206.924 248.520 295.345 1.00 0.00 C +ATOM 173 CA SER A 173 208.160 249.265 298.871 1.00 0.00 C +ATOM 174 CA GLY A 174 205.750 248.562 301.738 1.00 0.00 C +ATOM 175 CA ARG A 175 206.687 246.677 304.913 1.00 0.00 C +ATOM 176 CA SER A 176 205.964 243.077 305.931 1.00 0.00 C +ATOM 177 CA GLU A 177 208.002 239.884 306.344 1.00 0.00 C +ATOM 178 CA ARG A 178 207.587 236.600 308.230 1.00 0.00 C +ATOM 179 CA ARG A 179 210.771 234.774 309.253 1.00 0.00 C +ATOM 180 CA GLY A 180 213.722 232.368 309.390 1.00 0.00 C +ATOM 181 CA ALA A 181 216.567 229.993 310.274 1.00 0.00 C +ATOM 182 CA VAL A 182 216.863 226.959 312.559 1.00 0.00 C +ATOM 183 CA THR A 183 215.695 225.847 316.011 1.00 0.00 C +ATOM 184 CA SER A 184 218.127 225.734 318.942 1.00 0.00 C +ATOM 185 CA ALA A 185 220.920 224.954 321.413 1.00 0.00 C +ATOM 186 CA ASN A 186 220.079 222.141 323.841 1.00 0.00 C +ATOM 187 CA ASP A 187 223.079 220.796 325.766 1.00 0.00 C +ATOM 188 CA PRO A 188 224.807 218.304 323.459 1.00 0.00 C +ATOM 189 CA TYR A 189 228.582 218.014 323.039 1.00 0.00 C +ATOM 190 CA LEU A 190 230.921 219.935 325.352 1.00 0.00 C +ATOM 191 CA ALA A 191 232.560 223.081 323.961 1.00 0.00 C +ATOM 192 CA ASN A 192 236.125 223.860 325.056 1.00 0.00 C +ATOM 193 CA MET A 193 237.894 226.979 323.769 1.00 0.00 C +ATOM 194 CA GLN A 194 241.321 228.586 323.337 1.00 0.00 C +ATOM 195 CA ALA A 195 242.775 232.104 323.487 1.00 0.00 C +ATOM 196 CA ALA A 196 245.425 234.157 321.676 1.00 0.00 C +ATOM 197 CA ARG A 197 247.773 236.790 323.116 1.00 0.00 C +ATOM 198 CA ASP A 198 250.368 238.578 320.975 1.00 0.00 C +ATOM 199 CA GLU A 199 249.272 240.969 318.219 1.00 0.00 C +ATOM 200 CA GLN A 200 249.869 239.703 314.676 1.00 0.00 C +ATOM 201 CA ARG A 201 247.740 240.132 311.546 1.00 0.00 C +ATOM 202 CA SER A 202 247.399 239.003 307.923 1.00 0.00 C +ATOM 203 CA ALA A 203 248.208 241.421 305.092 1.00 0.00 C +ATOM 204 CA TYR A 204 248.141 243.974 302.265 1.00 0.00 C +ATOM 205 CA GLY A 205 249.943 242.436 299.281 1.00 0.00 C +ATOM 206 CA ASP A 206 252.076 242.600 296.129 1.00 0.00 C +ATOM 207 CA ARG A 207 253.348 239.720 293.982 1.00 0.00 C +ATOM 208 CA SER A 208 257.157 239.771 293.921 1.00 0.00 C +ATOM 209 CA SER A 209 260.501 241.103 292.675 1.00 0.00 C +ATOM 210 CA SER A 210 262.344 238.401 290.720 1.00 0.00 C +ATOM 211 CA VAL A 211 263.855 236.706 287.661 1.00 0.00 C +ATOM 212 CA ARG A 212 261.783 236.223 284.499 1.00 0.00 C +ATOM 213 CA GLY A 213 260.795 236.284 280.820 1.00 0.00 C +ATOM 214 CA ARG A 214 259.327 236.747 277.335 1.00 0.00 C +ATOM 215 CA GLY A 215 258.965 235.161 273.890 1.00 0.00 C +ATOM 216 CA TRP A 216 262.258 235.359 271.983 1.00 0.00 C +ATOM 217 CA PHE A 217 265.577 234.713 273.738 1.00 0.00 C +ATOM 218 CA PRO A 218 269.296 235.516 273.528 1.00 0.00 C +ATOM 219 CA ALA A 219 270.820 234.619 270.153 1.00 0.00 C +ATOM 220 CA TYR A 220 270.120 232.060 267.418 1.00 0.00 C +ATOM 221 CA GLU A 221 269.523 230.002 264.268 1.00 0.00 C +ATOM 222 CA PHE A 222 268.980 226.323 263.439 1.00 0.00 C +ATOM 223 CA ARG A 223 265.355 225.329 262.822 1.00 0.00 C +TER 224 ARG A 223 +END diff --git a/Fungi/A0A8H7MJV9/A0A8H7MJV9.dcd b/Fungi/A0A8H7MJV9/A0A8H7MJV9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..aeb6d7055335eb12a39aa546677cc4b4c9c41bdc --- /dev/null +++ b/Fungi/A0A8H7MJV9/A0A8H7MJV9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fe791ddc0f3c197e6d2c5e776d25196616a51a8ce93160b261285578e4a23be5 +size 11000276 diff --git a/Fungi/A0A8H7MJV9/top.pdb b/Fungi/A0A8H7MJV9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..56d5308d9ec2fd9d87639ce76765eafeb59ab93a --- /dev/null +++ b/Fungi/A0A8H7MJV9/top.pdb @@ -0,0 +1,89 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 274.649 224.755 235.911 1.00 0.00 C +ATOM 2 CA SER A 2 273.021 227.840 237.444 1.00 0.00 C +ATOM 3 CA GLN A 3 270.178 229.005 239.697 1.00 0.00 C +ATOM 4 CA ALA A 4 271.855 230.950 242.511 1.00 0.00 C +ATOM 5 CA SER A 5 272.692 230.069 246.122 1.00 0.00 C +ATOM 6 CA ASN A 6 275.825 229.919 248.285 1.00 0.00 C +ATOM 7 CA ASN A 7 276.122 230.022 252.082 1.00 0.00 C +ATOM 8 CA ALA A 8 273.803 232.821 253.224 1.00 0.00 C +ATOM 9 CA SER A 9 271.537 235.621 251.984 1.00 0.00 C +ATOM 10 CA SER A 10 272.358 239.235 252.870 1.00 0.00 C +ATOM 11 CA GLY A 11 275.759 240.929 252.592 1.00 0.00 C +ATOM 12 CA SER A 12 279.268 242.259 251.934 1.00 0.00 C +ATOM 13 CA GLY A 13 280.797 245.650 251.108 1.00 0.00 C +ATOM 14 CA SER A 14 279.999 248.653 253.312 1.00 0.00 C +ATOM 15 CA GLY A 15 279.609 252.409 253.821 1.00 0.00 C +ATOM 16 CA SER A 16 280.755 255.942 254.670 1.00 0.00 C +ATOM 17 CA GLY A 17 282.991 257.139 251.827 1.00 0.00 C +ATOM 18 CA SER A 18 283.206 258.440 248.253 1.00 0.00 C +ATOM 19 CA GLY A 19 282.524 261.944 246.920 1.00 0.00 C +ATOM 20 CA SER A 20 282.029 265.384 245.359 1.00 0.00 C +ATOM 21 CA GLY A 21 278.991 267.447 244.343 1.00 0.00 C +ATOM 22 CA GLY A 22 275.254 266.723 244.497 1.00 0.00 C +ATOM 23 CA TYR A 23 272.234 265.186 242.754 1.00 0.00 C +ATOM 24 CA THR A 24 271.403 261.531 242.073 1.00 0.00 C +ATOM 25 CA THR A 25 271.049 259.482 245.266 1.00 0.00 C +ATOM 26 CA THR A 26 267.358 259.780 246.165 1.00 0.00 C +ATOM 27 CA SER A 27 264.505 259.973 248.683 1.00 0.00 C +ATOM 28 CA SER A 28 262.787 263.251 249.589 1.00 0.00 C +ATOM 29 CA GLY A 29 264.958 265.586 251.675 1.00 0.00 C +ATOM 30 CA THR A 30 267.335 264.200 254.310 1.00 0.00 C +ATOM 31 CA ASN A 31 267.792 260.424 254.094 1.00 0.00 C +ATOM 32 CA GLU A 32 267.996 256.748 253.113 1.00 0.00 C +ATOM 33 CA ALA A 33 265.565 253.849 253.559 1.00 0.00 C +ATOM 34 CA GLY A 34 265.599 253.174 257.309 1.00 0.00 C +ATOM 35 CA ASN A 35 267.408 251.472 260.197 1.00 0.00 C +ATOM 36 CA HIS A 36 265.027 249.956 262.757 1.00 0.00 C +ATOM 37 CA TYR A 37 261.571 251.398 263.458 1.00 0.00 C +ATOM 38 CA CYS A 38 261.364 251.848 267.235 1.00 0.00 C +ATOM 39 CA SER A 39 260.066 250.784 270.656 1.00 0.00 C +ATOM 40 CA ARG A 40 257.597 253.372 271.966 1.00 0.00 C +ATOM 41 CA ASP A 41 255.198 252.009 274.593 1.00 0.00 C +ATOM 42 CA PHE A 42 251.653 250.612 274.636 1.00 0.00 C +ATOM 43 CA GLY A 43 248.579 250.161 276.841 1.00 0.00 C +ATOM 44 CA SER A 44 245.809 252.644 277.664 1.00 0.00 C +ATOM 45 CA SER A 45 247.148 254.946 280.388 1.00 0.00 C +ATOM 46 CA ALA A 46 248.678 258.225 279.196 1.00 0.00 C +ATOM 47 CA SER A 47 250.294 261.012 277.161 1.00 0.00 C +ATOM 48 CA ASN A 48 252.178 261.241 273.857 1.00 0.00 C +ATOM 49 CA PRO A 49 253.504 258.141 272.082 1.00 0.00 C +ATOM 50 CA ASN A 50 250.953 255.663 270.715 1.00 0.00 C +ATOM 51 CA SER A 51 247.365 254.500 270.180 1.00 0.00 C +ATOM 52 CA TYR A 52 245.741 251.571 268.364 1.00 0.00 C +ATOM 53 CA HIS A 53 242.673 249.398 267.748 1.00 0.00 C +ATOM 54 CA TYR A 54 239.340 247.851 266.742 1.00 0.00 C +ATOM 55 CA SER A 55 235.698 247.668 265.636 1.00 0.00 C +ATOM 56 CA ASN A 56 233.326 247.602 262.655 1.00 0.00 C +ATOM 57 CA THR A 57 232.793 246.522 259.041 1.00 0.00 C +ATOM 58 CA ASP A 58 232.150 246.139 255.305 1.00 0.00 C +ATOM 59 CA GLY A 59 230.846 247.975 252.231 1.00 0.00 C +ATOM 60 CA SER A 60 229.042 246.800 249.088 1.00 0.00 C +ATOM 61 CA TYR A 61 227.420 245.587 245.861 1.00 0.00 C +ATOM 62 CA TYR A 62 224.690 247.651 244.186 1.00 0.00 C +ATOM 63 CA TYR A 63 222.660 250.694 243.121 1.00 0.00 C +ATOM 64 CA SER A 64 221.994 254.162 244.550 1.00 0.00 C +ATOM 65 CA ASN A 65 225.415 255.721 245.172 1.00 0.00 C +ATOM 66 CA PRO A 66 228.295 254.293 247.218 1.00 0.00 C +ATOM 67 CA ASN A 67 229.754 251.431 245.171 1.00 0.00 C +ATOM 68 CA GLY A 68 229.541 250.923 241.401 1.00 0.00 C +ATOM 69 CA SER A 69 230.070 247.625 239.569 1.00 0.00 C +ATOM 70 CA THR A 70 232.256 244.644 238.646 1.00 0.00 C +ATOM 71 CA TYR A 71 231.964 242.790 235.330 1.00 0.00 C +ATOM 72 CA TYR A 72 230.077 244.615 232.569 1.00 0.00 C +ATOM 73 CA ASN A 73 227.983 244.206 229.413 1.00 0.00 C +ATOM 74 CA SER A 74 224.754 243.379 227.566 1.00 0.00 C +ATOM 75 CA GLY A 75 224.991 245.375 224.329 1.00 0.00 C +ATOM 76 CA ASP A 76 221.487 245.665 222.863 1.00 0.00 C +ATOM 77 CA GLY A 77 217.696 245.762 222.490 1.00 0.00 C +ATOM 78 CA TYR A 78 215.139 247.311 220.128 1.00 0.00 C +ATOM 79 CA SER A 79 213.136 250.547 219.946 1.00 0.00 C +ATOM 80 CA LYS A 80 209.342 250.194 219.928 1.00 0.00 C +ATOM 81 CA TYR A 81 208.447 247.831 222.780 1.00 0.00 C +ATOM 82 CA THR A 82 205.628 249.299 224.880 1.00 0.00 C +ATOM 83 CA PRO A 83 202.642 249.546 227.234 1.00 0.00 C +ATOM 84 CA GLY A 84 199.087 248.179 227.325 1.00 0.00 C +ATOM 85 CA LYS A 85 197.731 246.727 230.576 1.00 0.00 C +TER 86 LYS A 85 +END diff --git a/Fungi/A0A8H7PSV6/A0A8H7PSV6.dcd b/Fungi/A0A8H7PSV6/A0A8H7PSV6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a81189ffeace24cd4a14a7f68ea453fe6460a9be --- /dev/null +++ b/Fungi/A0A8H7PSV6/A0A8H7PSV6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0ce9f1322243a95a46405d6ab43b6edef1fd30763694bdcf580d3e38bfff8ce8 +size 12560276 diff --git a/Fungi/A0A8H7PSV6/top.pdb b/Fungi/A0A8H7PSV6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2d909277afa66fa5029d60f48bd2e73fc40a339d --- /dev/null +++ b/Fungi/A0A8H7PSV6/top.pdb @@ -0,0 +1,102 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 253.300 272.851 297.713 1.00 0.00 C +ATOM 2 CA ARG A 2 256.554 271.168 296.667 1.00 0.00 C +ATOM 3 CA ASN A 3 257.881 269.150 293.720 1.00 0.00 C +ATOM 4 CA PHE A 4 261.147 267.828 292.268 1.00 0.00 C +ATOM 5 CA GLY A 5 263.124 266.078 289.522 1.00 0.00 C +ATOM 6 CA ASN A 6 261.798 263.814 286.759 1.00 0.00 C +ATOM 7 CA ASN A 7 263.432 261.589 284.134 1.00 0.00 C +ATOM 8 CA SER A 8 264.687 260.543 280.692 1.00 0.00 C +ATOM 9 CA LEU A 9 265.139 259.456 277.068 1.00 0.00 C +ATOM 10 CA GLN A 10 263.953 260.610 273.636 1.00 0.00 C +ATOM 11 CA VAL A 11 260.561 262.345 273.611 1.00 0.00 C +ATOM 12 CA SER A 12 256.987 261.234 274.322 1.00 0.00 C +ATOM 13 CA THR A 13 253.849 262.653 272.690 1.00 0.00 C +ATOM 14 CA ASP A 14 253.378 265.888 270.733 1.00 0.00 C +ATOM 15 CA ASN A 15 252.617 269.606 271.072 1.00 0.00 C +ATOM 16 CA SER A 16 252.440 273.402 271.336 1.00 0.00 C +ATOM 17 CA ASN A 17 252.307 277.166 270.758 1.00 0.00 C +ATOM 18 CA ARG A 18 250.866 279.381 268.014 1.00 0.00 C +ATOM 19 CA SER A 19 251.120 281.349 264.762 1.00 0.00 C +ATOM 20 CA ASN A 20 250.706 280.441 261.085 1.00 0.00 C +ATOM 21 CA SER A 21 247.815 278.003 260.620 1.00 0.00 C +ATOM 22 CA SER A 22 248.428 275.977 257.452 1.00 0.00 C +ATOM 23 CA ALA A 23 250.104 272.569 257.750 1.00 0.00 C +ATOM 24 CA SER A 24 250.760 269.177 256.143 1.00 0.00 C +ATOM 25 CA ASN A 25 248.757 266.084 257.113 1.00 0.00 C +ATOM 26 CA ASP A 26 248.864 262.276 257.145 1.00 0.00 C +ATOM 27 CA SER A 27 247.937 258.795 258.384 1.00 0.00 C +ATOM 28 CA PHE A 28 249.875 255.692 259.451 1.00 0.00 C +ATOM 29 CA SER A 29 251.806 252.476 260.116 1.00 0.00 C +ATOM 30 CA VAL A 30 249.967 249.187 259.548 1.00 0.00 C +ATOM 31 CA GLU A 31 247.897 247.355 256.927 1.00 0.00 C +ATOM 32 CA GLY A 32 248.461 245.113 253.899 1.00 0.00 C +ATOM 33 CA ASN A 33 250.856 245.075 250.936 1.00 0.00 C +ATOM 34 CA THR A 34 253.966 246.989 252.021 1.00 0.00 C +ATOM 35 CA LEU A 35 254.370 250.234 253.975 1.00 0.00 C +ATOM 36 CA ASN A 36 258.092 250.371 254.780 1.00 0.00 C +ATOM 37 CA ASN A 37 260.515 248.025 253.007 1.00 0.00 C +ATOM 38 CA THR A 38 261.879 244.502 253.499 1.00 0.00 C +ATOM 39 CA GLN A 39 264.482 243.216 251.032 1.00 0.00 C +ATOM 40 CA SER A 40 267.794 241.345 251.246 1.00 0.00 C +ATOM 41 CA ASN A 41 270.166 241.252 248.266 1.00 0.00 C +ATOM 42 CA THR A 42 272.177 242.520 245.289 1.00 0.00 C +ATOM 43 CA LEU A 43 273.696 244.913 242.742 1.00 0.00 C +ATOM 44 CA ASN A 44 275.324 247.797 240.860 1.00 0.00 C +ATOM 45 CA ASN A 45 275.533 251.584 240.494 1.00 0.00 C +ATOM 46 CA HIS A 46 274.521 254.821 238.759 1.00 0.00 C +ATOM 47 CA ASN A 47 276.486 257.796 237.416 1.00 0.00 C +ATOM 48 CA ASN A 48 273.915 260.128 235.845 1.00 0.00 C +ATOM 49 CA GLY A 49 271.042 261.325 238.043 1.00 0.00 C +ATOM 50 CA ARG A 50 269.690 259.422 241.054 1.00 0.00 C +ATOM 51 CA LYS A 51 267.754 258.791 244.274 1.00 0.00 C +ATOM 52 CA ARG A 52 264.890 256.447 245.178 1.00 0.00 C +ATOM 53 CA ALA A 53 263.440 253.658 243.025 1.00 0.00 C +ATOM 54 CA HIS A 54 260.098 253.168 241.263 1.00 0.00 C +ATOM 55 CA SER A 55 256.343 253.788 241.079 1.00 0.00 C +ATOM 56 CA GLY A 56 254.256 255.715 238.540 1.00 0.00 C +ATOM 57 CA GLN A 57 252.583 253.594 235.854 1.00 0.00 C +ATOM 58 CA THR A 58 250.334 252.451 232.999 1.00 0.00 C +ATOM 59 CA LYS A 59 248.507 250.456 230.315 1.00 0.00 C +ATOM 60 CA ALA A 60 246.723 247.282 231.439 1.00 0.00 C +ATOM 61 CA HIS A 61 244.305 245.448 229.136 1.00 0.00 C +ATOM 62 CA PRO A 62 245.338 241.990 227.915 1.00 0.00 C +ATOM 63 CA MET A 63 246.191 241.196 224.288 1.00 0.00 C +ATOM 64 CA THR A 64 249.346 243.012 223.163 1.00 0.00 C +ATOM 65 CA PRO A 65 252.652 244.558 222.071 1.00 0.00 C +ATOM 66 CA ASP A 66 255.234 241.842 221.382 1.00 0.00 C +ATOM 67 CA SER A 67 254.950 238.353 222.886 1.00 0.00 C +ATOM 68 CA ASN A 68 254.715 235.973 219.920 1.00 0.00 C +ATOM 69 CA GLU A 69 255.181 232.271 219.153 1.00 0.00 C +ATOM 70 CA ASN A 70 252.331 229.801 218.613 1.00 0.00 C +ATOM 71 CA ALA A 71 249.490 230.227 221.117 1.00 0.00 C +ATOM 72 CA GLY A 72 247.540 228.605 223.959 1.00 0.00 C +ATOM 73 CA LYS A 73 245.712 227.831 227.211 1.00 0.00 C +ATOM 74 CA ARG A 74 243.259 230.670 227.878 1.00 0.00 C +ATOM 75 CA LYS A 75 244.422 234.072 226.616 1.00 0.00 C +ATOM 76 CA ASP A 76 241.563 236.282 225.407 1.00 0.00 C +ATOM 77 CA VAL A 77 237.836 236.415 226.184 1.00 0.00 C +ATOM 78 CA SER A 78 237.341 236.491 229.961 1.00 0.00 C +ATOM 79 CA GLY A 79 237.499 233.114 231.719 1.00 0.00 C +ATOM 80 CA ILE A 80 236.530 232.828 235.392 1.00 0.00 C +ATOM 81 CA THR A 81 239.487 231.343 237.282 1.00 0.00 C +ATOM 82 CA ARG A 82 239.154 228.488 239.783 1.00 0.00 C +ATOM 83 CA PRO A 83 235.575 227.575 240.718 1.00 0.00 C +ATOM 84 CA ASP A 84 232.770 227.428 243.291 1.00 0.00 C +ATOM 85 CA LEU A 85 231.905 229.673 246.245 1.00 0.00 C +ATOM 86 CA GLN A 86 231.487 231.571 249.522 1.00 0.00 C +ATOM 87 CA ARG A 87 232.292 234.766 251.437 1.00 0.00 C +ATOM 88 CA SER A 88 230.009 235.844 254.291 1.00 0.00 C +ATOM 89 CA VAL A 89 229.139 237.316 257.695 1.00 0.00 C +ATOM 90 CA PRO A 90 228.234 240.980 258.219 1.00 0.00 C +ATOM 91 CA THR A 91 225.102 243.143 258.383 1.00 0.00 C +ATOM 92 CA PHE A 92 222.627 245.933 257.605 1.00 0.00 C +ATOM 93 CA LEU A 93 219.169 245.537 256.055 1.00 0.00 C +ATOM 94 CA SER A 94 217.303 242.226 255.785 1.00 0.00 C +ATOM 95 CA LYS A 95 214.424 242.231 253.289 1.00 0.00 C +ATOM 96 CA LEU A 96 211.857 239.948 251.643 1.00 0.00 C +ATOM 97 CA TYR A 97 211.457 236.389 252.944 1.00 0.00 C +ATOM 98 CA LYS A 98 210.628 232.712 253.498 1.00 0.00 C +TER 99 LYS A 98 +END diff --git a/Fungi/A0A8H7RI17/A0A8H7RI17.dcd b/Fungi/A0A8H7RI17/A0A8H7RI17.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b2517d72111081b990d9aaba1e8e753b32d86ee4 --- /dev/null +++ b/Fungi/A0A8H7RI17/A0A8H7RI17.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1087b9a98cc7f3300169fe7477fc94d632583f47df990aeb9c7c54cbe7ec790b +size 10400276 diff --git a/Fungi/A0A8H7RI17/top.pdb b/Fungi/A0A8H7RI17/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1fd0fcad5c07cc255ccb11076bf964c53cd6b736 --- /dev/null +++ b/Fungi/A0A8H7RI17/top.pdb @@ -0,0 +1,84 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 276.678 253.396 281.795 1.00 0.00 C +ATOM 2 CA ILE A 2 275.731 256.997 282.604 1.00 0.00 C +ATOM 3 CA LYS A 3 272.092 257.926 281.962 1.00 0.00 C +ATOM 4 CA GLU A 4 268.604 257.312 280.558 1.00 0.00 C +ATOM 5 CA LYS A 5 265.464 257.884 278.477 1.00 0.00 C +ATOM 6 CA ILE A 6 261.746 257.597 277.694 1.00 0.00 C +ATOM 7 CA GLN A 7 259.364 256.943 280.594 1.00 0.00 C +ATOM 8 CA MET A 8 256.622 257.284 283.218 1.00 0.00 C +ATOM 9 CA VAL A 9 253.035 258.547 283.439 1.00 0.00 C +ATOM 10 CA SER A 10 250.095 256.288 282.563 1.00 0.00 C +ATOM 11 CA ALA A 11 246.694 254.573 282.680 1.00 0.00 C +ATOM 12 CA GLN A 12 244.818 251.415 281.668 1.00 0.00 C +ATOM 13 CA ARG A 13 241.033 250.988 281.742 1.00 0.00 C +ATOM 14 CA PRO A 14 237.665 251.345 279.997 1.00 0.00 C +ATOM 15 CA LEU A 15 236.278 252.569 276.666 1.00 0.00 C +ATOM 16 CA GLU A 16 235.885 250.241 273.676 1.00 0.00 C +ATOM 17 CA ASP A 17 236.618 250.012 269.944 1.00 0.00 C +ATOM 18 CA GLU A 18 238.749 247.465 268.077 1.00 0.00 C +ATOM 19 CA SER A 19 240.833 245.769 265.376 1.00 0.00 C +ATOM 20 CA SER A 20 244.623 245.561 265.717 1.00 0.00 C +ATOM 21 CA HIS A 21 247.399 244.748 263.239 1.00 0.00 C +ATOM 22 CA LEU A 22 249.022 245.818 259.962 1.00 0.00 C +ATOM 23 CA ASP A 23 249.359 243.368 257.064 1.00 0.00 C +ATOM 24 CA ARG A 24 250.933 240.016 257.958 1.00 0.00 C +ATOM 25 CA ILE A 25 253.845 239.682 255.523 1.00 0.00 C +ATOM 26 CA THR A 26 256.697 242.163 255.054 1.00 0.00 C +ATOM 27 CA VAL A 27 260.162 241.853 253.501 1.00 0.00 C +ATOM 28 CA ASN A 28 261.523 245.055 251.948 1.00 0.00 C +ATOM 29 CA THR A 29 263.681 246.380 249.101 1.00 0.00 C +ATOM 30 CA SER A 30 263.159 248.187 245.788 1.00 0.00 C +ATOM 31 CA LYS A 31 265.677 247.063 243.158 1.00 0.00 C +ATOM 32 CA ARG A 32 269.179 247.644 241.776 1.00 0.00 C +ATOM 33 CA SER A 33 271.431 245.397 239.679 1.00 0.00 C +ATOM 34 CA GLN A 34 269.537 244.400 236.527 1.00 0.00 C +ATOM 35 CA ASN A 35 267.230 247.254 235.504 1.00 0.00 C +ATOM 36 CA SER A 36 264.438 249.727 234.726 1.00 0.00 C +ATOM 37 CA SER A 37 261.466 251.741 233.449 1.00 0.00 C +ATOM 38 CA HIS A 38 260.918 254.377 236.144 1.00 0.00 C +ATOM 39 CA SER A 39 261.108 255.948 239.610 1.00 0.00 C +ATOM 40 CA GLN A 40 259.020 258.062 241.994 1.00 0.00 C +ATOM 41 CA GLU A 41 260.084 256.944 245.478 1.00 0.00 C +ATOM 42 CA TYR A 42 263.267 254.850 245.425 1.00 0.00 C +ATOM 43 CA ASP A 43 266.491 253.171 244.284 1.00 0.00 C +ATOM 44 CA ASP A 44 268.868 253.588 247.232 1.00 0.00 C +ATOM 45 CA ASP A 45 268.952 257.131 248.630 1.00 0.00 C +ATOM 46 CA ASP A 46 269.169 260.642 247.168 1.00 0.00 C +ATOM 47 CA VAL A 47 267.557 263.929 246.113 1.00 0.00 C +ATOM 48 CA GLY A 48 264.242 263.748 244.244 1.00 0.00 C +ATOM 49 CA ASN A 49 260.632 264.603 245.113 1.00 0.00 C +ATOM 50 CA ASP A 50 256.917 264.793 245.937 1.00 0.00 C +ATOM 51 CA SER A 51 253.777 265.065 243.797 1.00 0.00 C +ATOM 52 CA ASN A 52 250.872 267.041 242.323 1.00 0.00 C +ATOM 53 CA ALA A 53 249.540 268.301 238.983 1.00 0.00 C +ATOM 54 CA ARG A 54 251.325 267.433 235.731 1.00 0.00 C +ATOM 55 CA GLU A 55 253.426 264.522 234.456 1.00 0.00 C +ATOM 56 CA ASP A 56 251.435 261.284 234.716 1.00 0.00 C +ATOM 57 CA ASN A 57 249.046 258.373 235.294 1.00 0.00 C +ATOM 58 CA VAL A 58 248.361 254.802 234.155 1.00 0.00 C +ATOM 59 CA ASN A 59 244.778 253.638 234.725 1.00 0.00 C +ATOM 60 CA ASN A 60 241.654 253.839 236.897 1.00 0.00 C +ATOM 61 CA HIS A 61 238.686 253.380 234.552 1.00 0.00 C +ATOM 62 CA PHE A 62 235.181 252.976 235.989 1.00 0.00 C +ATOM 63 CA GLY A 63 232.480 255.555 235.233 1.00 0.00 C +ATOM 64 CA LYS A 64 229.519 253.650 233.778 1.00 0.00 C +ATOM 65 CA TYR A 65 230.098 249.891 233.563 1.00 0.00 C +ATOM 66 CA PRO A 66 233.134 248.526 231.710 1.00 0.00 C +ATOM 67 CA LEU A 67 233.587 244.749 231.507 1.00 0.00 C +ATOM 68 CA ARG A 68 233.914 243.001 234.877 1.00 0.00 C +ATOM 69 CA ASN A 69 233.759 239.230 234.356 1.00 0.00 C +ATOM 70 CA ALA A 70 235.025 236.976 231.558 1.00 0.00 C +ATOM 71 CA ALA A 71 234.660 233.271 232.364 1.00 0.00 C +ATOM 72 CA PRO A 72 236.728 230.078 232.578 1.00 0.00 C +ATOM 73 CA LYS A 73 236.449 228.288 235.930 1.00 0.00 C +ATOM 74 CA ASN A 74 232.995 229.119 237.308 1.00 0.00 C +ATOM 75 CA SER A 75 230.089 231.352 236.268 1.00 0.00 C +ATOM 76 CA LYS A 76 226.303 231.529 236.656 1.00 0.00 C +ATOM 77 CA GLU A 77 222.982 229.672 236.867 1.00 0.00 C +ATOM 78 CA GLU A 78 221.361 229.578 233.421 1.00 0.00 C +ATOM 79 CA HIS A 79 218.892 230.672 230.733 1.00 0.00 C +ATOM 80 CA GLN A 80 215.353 231.814 229.903 1.00 0.00 C +TER 81 GLN A 80 +END diff --git a/Fungi/A0A8H7Y0U1/A0A8H7Y0U1.dcd b/Fungi/A0A8H7Y0U1/A0A8H7Y0U1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e73383c96f6820aec34728bedd3a07966775fe0d --- /dev/null +++ b/Fungi/A0A8H7Y0U1/A0A8H7Y0U1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d8285cd4e4ada157fbfaa9837ebdba040be2b79dad7fa415c1c4ac91afc26ffa +size 9320276 diff --git a/Fungi/A0A8H7Y0U1/top.pdb b/Fungi/A0A8H7Y0U1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..49e2577a52166566c327d22386c42740294a1f02 --- /dev/null +++ b/Fungi/A0A8H7Y0U1/top.pdb @@ -0,0 +1,75 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 225.683 253.439 226.594 1.00 0.00 C +ATOM 2 CA ASP A 2 226.417 256.159 229.159 1.00 0.00 C +ATOM 3 CA THR A 3 227.880 255.810 232.660 1.00 0.00 C +ATOM 4 CA PHE A 4 231.225 257.522 233.290 1.00 0.00 C +ATOM 5 CA LEU A 5 234.926 257.769 232.419 1.00 0.00 C +ATOM 6 CA ASP A 6 238.375 256.542 231.364 1.00 0.00 C +ATOM 7 CA THR A 7 241.233 254.626 233.001 1.00 0.00 C +ATOM 8 CA GLU A 8 243.758 252.765 235.164 1.00 0.00 C +ATOM 9 CA PRO A 9 241.923 250.899 237.932 1.00 0.00 C +ATOM 10 CA VAL A 10 238.373 251.279 239.265 1.00 0.00 C +ATOM 11 CA LEU A 11 236.898 254.625 240.334 1.00 0.00 C +ATOM 12 CA GLY A 12 236.069 257.596 242.571 1.00 0.00 C +ATOM 13 CA GLU A 13 234.173 260.807 243.352 1.00 0.00 C +ATOM 14 CA PHE A 14 230.516 261.432 242.483 1.00 0.00 C +ATOM 15 CA THR A 15 228.545 261.697 245.733 1.00 0.00 C +ATOM 16 CA GLU A 16 227.817 258.288 247.270 1.00 0.00 C +ATOM 17 CA GLU A 17 229.594 256.605 250.190 1.00 0.00 C +ATOM 18 CA ASP A 18 227.873 254.895 253.128 1.00 0.00 C +ATOM 19 CA LEU A 19 225.478 254.903 256.092 1.00 0.00 C +ATOM 20 CA GLU A 20 221.827 255.331 257.091 1.00 0.00 C +ATOM 21 CA GLN A 21 219.488 252.870 255.361 1.00 0.00 C +ATOM 22 CA GLU A 22 220.861 249.326 255.104 1.00 0.00 C +ATOM 23 CA GLN A 23 223.918 247.071 255.401 1.00 0.00 C +ATOM 24 CA ASP A 24 226.771 244.877 254.150 1.00 0.00 C +ATOM 25 CA THR A 25 229.905 245.261 252.017 1.00 0.00 C +ATOM 26 CA TYR A 26 231.410 247.916 249.737 1.00 0.00 C +ATOM 27 CA GLN A 27 235.219 247.820 249.683 1.00 0.00 C +ATOM 28 CA LYS A 28 238.495 248.599 251.464 1.00 0.00 C +ATOM 29 CA PRO A 29 239.778 251.470 253.615 1.00 0.00 C +ATOM 30 CA GLN A 30 241.730 250.791 256.816 1.00 0.00 C +ATOM 31 CA THR A 31 241.252 253.940 258.907 1.00 0.00 C +ATOM 32 CA ASP A 32 243.102 257.194 258.195 1.00 0.00 C +ATOM 33 CA ALA A 33 241.066 260.192 259.371 1.00 0.00 C +ATOM 34 CA ASP A 34 241.872 263.078 257.019 1.00 0.00 C +ATOM 35 CA ARG A 35 241.001 261.981 253.476 1.00 0.00 C +ATOM 36 CA THR A 36 241.262 261.544 249.700 1.00 0.00 C +ATOM 37 CA ASP A 37 243.379 263.052 246.914 1.00 0.00 C +ATOM 38 CA GLY A 38 246.072 260.749 245.515 1.00 0.00 C +ATOM 39 CA GLU A 39 249.022 259.811 243.293 1.00 0.00 C +ATOM 40 CA GLY A 40 250.772 256.991 245.165 1.00 0.00 C +ATOM 41 CA TYR A 41 252.865 254.069 243.901 1.00 0.00 C +ATOM 42 CA GLU A 42 253.857 254.528 240.252 1.00 0.00 C +ATOM 43 CA THR A 43 256.158 253.849 237.292 1.00 0.00 C +ATOM 44 CA ASN A 44 256.557 250.160 236.425 1.00 0.00 C +ATOM 45 CA THR A 45 254.610 247.755 238.647 1.00 0.00 C +ATOM 46 CA ALA A 46 251.776 246.021 240.513 1.00 0.00 C +ATOM 47 CA PRO A 47 252.141 242.313 239.717 1.00 0.00 C +ATOM 48 CA SER A 48 249.978 239.400 240.879 1.00 0.00 C +ATOM 49 CA GLN A 49 248.295 240.666 244.054 1.00 0.00 C +ATOM 50 CA SER A 50 249.950 242.393 247.019 1.00 0.00 C +ATOM 51 CA ARG A 51 253.614 243.415 247.229 1.00 0.00 C +ATOM 52 CA SER A 52 255.655 243.949 250.402 1.00 0.00 C +ATOM 53 CA SER A 53 258.994 242.116 250.505 1.00 0.00 C +ATOM 54 CA SER A 54 262.019 239.802 250.451 1.00 0.00 C +ATOM 55 CA ILE A 55 263.182 236.477 251.905 1.00 0.00 C +ATOM 56 CA ARG A 56 266.314 236.845 254.043 1.00 0.00 C +ATOM 57 CA MET A 57 269.528 238.861 253.695 1.00 0.00 C +ATOM 58 CA VAL A 58 271.936 238.021 256.526 1.00 0.00 C +ATOM 59 CA GLN A 59 275.702 237.700 257.011 1.00 0.00 C +ATOM 60 CA SER A 60 278.377 239.553 255.029 1.00 0.00 C +ATOM 61 CA GLN A 61 282.111 239.126 255.651 1.00 0.00 C +ATOM 62 CA SER A 62 285.003 239.386 258.118 1.00 0.00 C +ATOM 63 CA GLN A 63 286.348 241.032 261.280 1.00 0.00 C +ATOM 64 CA LEU A 64 287.055 241.901 264.922 1.00 0.00 C +ATOM 65 CA GLN A 65 289.021 243.700 267.645 1.00 0.00 C +ATOM 66 CA GLN A 66 291.301 246.099 269.533 1.00 0.00 C +ATOM 67 CA GLY A 67 294.087 246.808 272.034 1.00 0.00 C +ATOM 68 CA GLN A 68 293.850 245.078 275.420 1.00 0.00 C +ATOM 69 CA GLY A 69 290.593 246.346 276.936 1.00 0.00 C +ATOM 70 CA GLN A 70 287.580 244.281 275.850 1.00 0.00 C +ATOM 71 CA ASP A 71 286.586 240.830 277.121 1.00 0.00 C +TER 72 ASP A 71 +END diff --git a/Fungi/A0A8H7ZQN2/A0A8H7ZQN2.dcd b/Fungi/A0A8H7ZQN2/A0A8H7ZQN2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..3af47420f7b3fb8fca2e92b2f02a2629b840bd3f --- /dev/null +++ b/Fungi/A0A8H7ZQN2/A0A8H7ZQN2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:52be360adaa088d331ae7a026de0326d2684e0bc4c3ed595d2bd0dd9e10e439f +size 16640276 diff --git a/Fungi/A0A8H7ZQN2/top.pdb b/Fungi/A0A8H7ZQN2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..6be6220f64ae7b858264c8e67c853c5bfaa5fbe1 --- /dev/null +++ b/Fungi/A0A8H7ZQN2/top.pdb @@ -0,0 +1,136 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 299.074 214.598 228.943 1.00 0.00 C +ATOM 2 CA SER A 2 295.594 215.894 228.088 1.00 0.00 C +ATOM 3 CA SER A 3 292.918 218.278 229.382 1.00 0.00 C +ATOM 4 CA PRO A 4 289.704 219.169 231.223 1.00 0.00 C +ATOM 5 CA ARG A 5 286.291 218.910 232.897 1.00 0.00 C +ATOM 6 CA SER A 6 282.609 217.947 233.066 1.00 0.00 C +ATOM 7 CA SER A 7 278.830 217.523 232.833 1.00 0.00 C +ATOM 8 CA ALA A 8 277.504 220.764 231.330 1.00 0.00 C +ATOM 9 CA PRO A 9 274.377 221.269 229.212 1.00 0.00 C +ATOM 10 CA VAL A 10 272.914 224.778 229.461 1.00 0.00 C +ATOM 11 CA CYS A 11 274.677 228.155 229.530 1.00 0.00 C +ATOM 12 CA HIS A 12 274.402 231.806 230.585 1.00 0.00 C +ATOM 13 CA HIS A 13 272.205 234.662 229.348 1.00 0.00 C +ATOM 14 CA PRO A 14 271.953 238.463 229.252 1.00 0.00 C +ATOM 15 CA THR A 15 268.991 240.808 229.748 1.00 0.00 C +ATOM 16 CA PRO A 16 269.033 244.031 227.716 1.00 0.00 C +ATOM 17 CA GLN A 17 270.546 247.006 225.879 1.00 0.00 C +ATOM 18 CA HIS A 18 272.822 246.248 222.918 1.00 0.00 C +ATOM 19 CA ALA A 19 276.153 245.209 221.388 1.00 0.00 C +ATOM 20 CA PRO A 20 276.178 241.725 219.845 1.00 0.00 C +ATOM 21 CA GLU A 21 274.786 241.862 216.301 1.00 0.00 C +ATOM 22 CA ASP A 22 273.585 240.978 212.795 1.00 0.00 C +ATOM 23 CA VAL A 23 274.281 243.831 210.369 1.00 0.00 C +ATOM 24 CA ASP A 24 271.095 245.903 210.097 1.00 0.00 C +ATOM 25 CA GLU A 25 268.907 248.835 211.162 1.00 0.00 C +ATOM 26 CA SER A 26 265.552 248.503 209.387 1.00 0.00 C +ATOM 27 CA ASP A 27 263.614 251.777 209.179 1.00 0.00 C +ATOM 28 CA ARG A 28 260.272 253.328 210.147 1.00 0.00 C +ATOM 29 CA LEU A 29 258.635 252.567 213.502 1.00 0.00 C +ATOM 30 CA ASP A 30 258.221 255.160 216.263 1.00 0.00 C +ATOM 31 CA GLN A 31 255.768 253.637 218.748 1.00 0.00 C +ATOM 32 CA ASP A 32 255.070 254.661 222.351 1.00 0.00 C +ATOM 33 CA ALA A 33 251.857 253.223 223.807 1.00 0.00 C +ATOM 34 CA ARG A 34 248.099 253.269 224.434 1.00 0.00 C +ATOM 35 CA ASP A 35 245.246 255.199 226.063 1.00 0.00 C +ATOM 36 CA GLY A 36 244.297 258.527 227.657 1.00 0.00 C +ATOM 37 CA PRO A 37 244.223 262.115 226.377 1.00 0.00 C +ATOM 38 CA PRO A 38 243.046 265.686 226.992 1.00 0.00 C +ATOM 39 CA GLU A 39 240.576 267.350 229.367 1.00 0.00 C +ATOM 40 CA GLU A 40 236.851 268.063 228.996 1.00 0.00 C +ATOM 41 CA ASN A 41 234.220 270.771 228.488 1.00 0.00 C +ATOM 42 CA GLU A 42 233.816 274.437 227.533 1.00 0.00 C +ATOM 43 CA GLY A 43 235.031 277.028 225.017 1.00 0.00 C +ATOM 44 CA ASP A 44 236.087 280.687 225.123 1.00 0.00 C +ATOM 45 CA ALA A 45 236.061 283.100 222.174 1.00 0.00 C +ATOM 46 CA GLU A 46 235.992 286.894 221.840 1.00 0.00 C +ATOM 47 CA GLU A 47 238.068 290.076 222.128 1.00 0.00 C +ATOM 48 CA GLU A 48 241.306 292.071 222.360 1.00 0.00 C +ATOM 49 CA ALA A 49 242.736 292.356 225.880 1.00 0.00 C +ATOM 50 CA GLY A 50 243.042 295.890 227.269 1.00 0.00 C +ATOM 51 CA GLY A 51 241.576 296.248 230.767 1.00 0.00 C +ATOM 52 CA PRO A 52 242.396 295.329 234.372 1.00 0.00 C +ATOM 53 CA ARG A 53 244.766 292.355 234.138 1.00 0.00 C +ATOM 54 CA ARG A 54 243.627 288.994 235.525 1.00 0.00 C +ATOM 55 CA PRO A 55 246.141 286.187 234.960 1.00 0.00 C +ATOM 56 CA VAL A 56 246.550 282.812 233.240 1.00 0.00 C +ATOM 57 CA LEU A 57 243.565 280.536 233.887 1.00 0.00 C +ATOM 58 CA PRO A 58 243.345 276.766 234.396 1.00 0.00 C +ATOM 59 CA ARG A 59 241.895 274.617 237.187 1.00 0.00 C +ATOM 60 CA GLU A 60 243.037 275.929 240.577 1.00 0.00 C +ATOM 61 CA ASP A 61 244.518 277.256 243.827 1.00 0.00 C +ATOM 62 CA ARG A 62 248.257 277.732 244.386 1.00 0.00 C +ATOM 63 CA GLY A 63 250.983 275.105 244.812 1.00 0.00 C +ATOM 64 CA ARG A 64 254.752 274.716 244.414 1.00 0.00 C +ATOM 65 CA PRO A 65 255.960 271.372 245.783 1.00 0.00 C +ATOM 66 CA GLY A 66 253.063 269.556 247.464 1.00 0.00 C +ATOM 67 CA ASP A 67 251.500 270.963 250.641 1.00 0.00 C +ATOM 68 CA ALA A 68 251.503 272.907 253.918 1.00 0.00 C +ATOM 69 CA ASP A 69 253.207 273.664 257.240 1.00 0.00 C +ATOM 70 CA GLN A 70 256.396 274.952 258.880 1.00 0.00 C +ATOM 71 CA GLU A 71 257.290 276.481 262.253 1.00 0.00 C +ATOM 72 CA ARG A 72 259.097 274.914 265.219 1.00 0.00 C +ATOM 73 CA GLN A 73 260.055 271.790 267.179 1.00 0.00 C +ATOM 74 CA ALA A 74 263.391 270.455 265.910 1.00 0.00 C +ATOM 75 CA ARG A 75 266.622 268.743 266.981 1.00 0.00 C +ATOM 76 CA GLU A 76 265.456 265.520 268.646 1.00 0.00 C +ATOM 77 CA GLU A 77 261.940 264.669 269.844 1.00 0.00 C +ATOM 78 CA GLU A 78 259.669 262.372 271.864 1.00 0.00 C +ATOM 79 CA GLY A 79 259.615 261.140 275.469 1.00 0.00 C +ATOM 80 CA VAL A 80 262.985 261.877 277.086 1.00 0.00 C +ATOM 81 CA SER A 81 265.696 260.974 279.607 1.00 0.00 C +ATOM 82 CA GLN A 82 268.260 258.776 277.842 1.00 0.00 C +ATOM 83 CA GLY A 83 269.349 255.873 280.056 1.00 0.00 C +ATOM 84 CA GLN A 84 272.536 254.572 281.689 1.00 0.00 C +ATOM 85 CA GLN A 85 272.820 250.956 280.525 1.00 0.00 C +ATOM 86 CA PRO A 86 269.599 249.783 278.863 1.00 0.00 C +ATOM 87 CA ALA A 87 269.222 245.995 279.026 1.00 0.00 C +ATOM 88 CA VAL A 88 270.028 243.076 276.714 1.00 0.00 C +ATOM 89 CA LYS A 89 268.545 241.550 273.553 1.00 0.00 C +ATOM 90 CA GLU A 90 268.055 237.833 272.874 1.00 0.00 C +ATOM 91 CA GLU A 91 266.055 236.719 269.829 1.00 0.00 C +ATOM 92 CA GLU A 92 266.696 233.401 268.070 1.00 0.00 C +ATOM 93 CA HIS A 93 264.307 230.679 266.886 1.00 0.00 C +ATOM 94 CA ALA A 94 262.287 227.480 267.335 1.00 0.00 C +ATOM 95 CA GLN A 95 262.059 224.440 265.050 1.00 0.00 C +ATOM 96 CA GLU A 96 258.428 224.248 263.912 1.00 0.00 C +ATOM 97 CA HIS A 97 255.075 223.327 262.355 1.00 0.00 C +ATOM 98 CA GLU A 98 253.145 223.182 259.073 1.00 0.00 C +ATOM 99 CA LYS A 99 250.198 223.066 256.662 1.00 0.00 C +ATOM 100 CA GLN A 100 247.084 223.363 258.837 1.00 0.00 C +ATOM 101 CA ALA A 101 244.287 225.880 259.439 1.00 0.00 C +ATOM 102 CA ARG A 102 241.915 226.772 262.284 1.00 0.00 C +ATOM 103 CA GLY A 103 239.516 225.320 264.863 1.00 0.00 C +ATOM 104 CA HIS A 104 239.228 226.488 268.479 1.00 0.00 C +ATOM 105 CA GLU A 105 236.891 229.491 268.661 1.00 0.00 C +ATOM 106 CA ALA A 106 234.654 231.815 270.689 1.00 0.00 C +ATOM 107 CA ARG A 107 232.671 234.928 271.633 1.00 0.00 C +ATOM 108 CA ALA A 108 229.781 237.350 272.182 1.00 0.00 C +ATOM 109 CA ASP A 109 227.073 237.122 274.852 1.00 0.00 C +ATOM 110 CA LEU A 110 228.650 236.657 278.289 1.00 0.00 C +ATOM 111 CA CYS A 111 230.731 234.054 280.136 1.00 0.00 C +ATOM 112 CA SER A 112 228.987 233.598 283.492 1.00 0.00 C +ATOM 113 CA PRO A 113 225.184 233.482 283.291 1.00 0.00 C +ATOM 114 CA ARG A 114 222.785 230.601 282.611 1.00 0.00 C +ATOM 115 CA GLU A 115 221.324 227.113 282.149 1.00 0.00 C +ATOM 116 CA ARG A 116 217.839 225.578 282.044 1.00 0.00 C +ATOM 117 CA LYS A 117 217.625 222.488 279.826 1.00 0.00 C +ATOM 118 CA ARG A 118 215.322 219.811 281.255 1.00 0.00 C +ATOM 119 CA VAL A 119 211.823 221.303 281.031 1.00 0.00 C +ATOM 120 CA ARG A 120 210.432 223.513 278.256 1.00 0.00 C +ATOM 121 CA VAL A 121 206.999 225.156 278.084 1.00 0.00 C +ATOM 122 CA ARG A 122 205.584 228.570 279.011 1.00 0.00 C +ATOM 123 CA GLU A 123 206.459 231.912 277.406 1.00 0.00 C +ATOM 124 CA ARG A 124 203.822 234.317 278.739 1.00 0.00 C +ATOM 125 CA GLU A 125 202.091 236.902 280.939 1.00 0.00 C +ATOM 126 CA ARG A 126 203.123 240.434 279.950 1.00 0.00 C +ATOM 127 CA PRO A 127 206.403 240.530 278.014 1.00 0.00 C +ATOM 128 CA PHE A 128 209.757 242.268 278.513 1.00 0.00 C +ATOM 129 CA PHE A 129 213.003 244.076 279.355 1.00 0.00 C +ATOM 130 CA PHE A 130 214.563 247.442 278.487 1.00 0.00 C +ATOM 131 CA THR A 131 215.429 250.864 279.918 1.00 0.00 C +ATOM 132 CA PRO A 132 216.331 253.891 282.050 1.00 0.00 C +TER 133 PRO A 132 +END diff --git a/Fungi/A0A8H8DGI7/A0A8H8DGI7.dcd b/Fungi/A0A8H8DGI7/A0A8H8DGI7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..77fa84480352905886c32975ea55d7cd77a6b1ab --- /dev/null +++ b/Fungi/A0A8H8DGI7/A0A8H8DGI7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:32486006defca2c2731a2837b9cb3403d15711b293ead50f04fb8a45030eaffd +size 12080276 diff --git a/Fungi/A0A8H8DGI7/top.pdb b/Fungi/A0A8H8DGI7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..42ad560892fa639a1bd54fc99b2536ba90568fcc --- /dev/null +++ b/Fungi/A0A8H8DGI7/top.pdb @@ -0,0 +1,98 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA PHE A 1 259.100 219.317 211.948 1.00 0.00 C +ATOM 2 CA SER A 2 257.391 220.813 215.007 1.00 0.00 C +ATOM 3 CA PRO A 3 256.167 221.983 218.420 1.00 0.00 C +ATOM 4 CA PHE A 4 256.433 220.889 222.060 1.00 0.00 C +ATOM 5 CA PRO A 5 257.968 221.044 225.543 1.00 0.00 C +ATOM 6 CA ILE A 6 258.477 224.065 227.808 1.00 0.00 C +ATOM 7 CA GLN A 7 260.691 226.836 229.200 1.00 0.00 C +ATOM 8 CA LYS A 8 260.448 229.998 227.089 1.00 0.00 C +ATOM 9 CA PHE A 9 259.169 233.267 228.570 1.00 0.00 C +ATOM 10 CA GLY A 10 258.583 236.285 230.820 1.00 0.00 C +ATOM 11 CA PRO A 11 255.450 237.383 232.689 1.00 0.00 C +ATOM 12 CA LEU A 12 253.028 240.323 232.615 1.00 0.00 C +ATOM 13 CA SER A 13 251.458 242.774 230.157 1.00 0.00 C +ATOM 14 CA ALA A 14 252.798 243.501 226.665 1.00 0.00 C +ATOM 15 CA PRO A 15 256.106 242.441 225.100 1.00 0.00 C +ATOM 16 CA PHE A 16 259.514 240.811 225.594 1.00 0.00 C +ATOM 17 CA PRO A 17 263.278 240.868 225.009 1.00 0.00 C +ATOM 18 CA ARG A 18 264.972 242.652 227.918 1.00 0.00 C +ATOM 19 CA THR A 19 264.658 246.312 228.930 1.00 0.00 C +ATOM 20 CA THR A 20 267.942 248.244 228.897 1.00 0.00 C +ATOM 21 CA ARG A 21 269.362 251.705 228.176 1.00 0.00 C +ATOM 22 CA ALA A 22 272.789 253.360 227.992 1.00 0.00 C +ATOM 23 CA GLY A 23 276.373 252.290 228.718 1.00 0.00 C +ATOM 24 CA ILE A 24 276.749 251.256 232.366 1.00 0.00 C +ATOM 25 CA PRO A 25 279.955 250.240 234.156 1.00 0.00 C +ATOM 26 CA VAL A 26 278.956 247.371 236.455 1.00 0.00 C +ATOM 27 CA PRO A 27 277.631 245.151 239.254 1.00 0.00 C +ATOM 28 CA ALA A 28 275.150 243.378 241.537 1.00 0.00 C +ATOM 29 CA ALA A 29 274.177 239.898 242.745 1.00 0.00 C +ATOM 30 CA PRO A 30 271.771 237.871 240.595 1.00 0.00 C +ATOM 31 CA GLU A 31 268.702 236.551 238.763 1.00 0.00 C +ATOM 32 CA LEU A 32 265.035 235.825 238.030 1.00 0.00 C +ATOM 33 CA SER A 33 261.243 236.184 237.938 1.00 0.00 C +ATOM 34 CA ASP A 34 259.098 236.839 241.018 1.00 0.00 C +ATOM 35 CA GLY A 35 259.255 237.891 244.676 1.00 0.00 C +ATOM 36 CA ARG A 36 258.306 241.262 246.178 1.00 0.00 C +ATOM 37 CA GLN A 37 257.887 244.544 248.066 1.00 0.00 C +ATOM 38 CA ARG A 38 259.585 245.243 251.405 1.00 0.00 C +ATOM 39 CA ASP A 39 259.345 246.034 255.124 1.00 0.00 C +ATOM 40 CA ARG A 40 257.577 248.313 257.613 1.00 0.00 C +ATOM 41 CA GLU A 41 255.467 248.653 260.768 1.00 0.00 C +ATOM 42 CA ARG A 42 255.626 248.594 264.574 1.00 0.00 C +ATOM 43 CA PRO A 43 254.876 249.040 268.283 1.00 0.00 C +ATOM 44 CA LEU A 44 251.700 249.147 270.384 1.00 0.00 C +ATOM 45 CA GLN A 45 250.586 251.015 273.512 1.00 0.00 C +ATOM 46 CA ALA A 46 248.245 250.740 276.506 1.00 0.00 C +ATOM 47 CA ARG A 47 249.086 252.978 279.472 1.00 0.00 C +ATOM 48 CA GLY A 48 252.763 253.762 280.088 1.00 0.00 C +ATOM 49 CA SER A 49 255.739 252.294 281.959 1.00 0.00 C +ATOM 50 CA PHE A 50 259.016 250.475 282.643 1.00 0.00 C +ATOM 51 CA LEU A 51 258.173 246.800 283.191 1.00 0.00 C +ATOM 52 CA THR A 52 256.953 244.552 286.015 1.00 0.00 C +ATOM 53 CA PRO A 53 254.871 241.491 285.116 1.00 0.00 C +ATOM 54 CA ALA A 54 252.943 242.486 281.985 1.00 0.00 C +ATOM 55 CA GLU A 55 249.560 244.239 281.951 1.00 0.00 C +ATOM 56 CA ARG A 56 246.075 245.343 280.877 1.00 0.00 C +ATOM 57 CA LYS A 57 245.330 244.512 277.234 1.00 0.00 C +ATOM 58 CA ASP A 58 247.381 242.551 274.692 1.00 0.00 C +ATOM 59 CA GLY A 59 248.094 243.611 271.103 1.00 0.00 C +ATOM 60 CA PHE A 60 247.573 242.522 267.489 1.00 0.00 C +ATOM 61 CA GLY A 61 245.722 245.353 265.736 1.00 0.00 C +ATOM 62 CA GLY A 62 245.281 247.629 262.712 1.00 0.00 C +ATOM 63 CA ARG A 63 242.090 249.691 262.985 1.00 0.00 C +ATOM 64 CA ARG A 64 241.248 251.107 266.421 1.00 0.00 C +ATOM 65 CA ARG A 65 243.316 253.475 268.572 1.00 0.00 C +ATOM 66 CA ALA A 66 241.849 256.985 268.357 1.00 0.00 C +ATOM 67 CA ALA A 67 238.479 258.685 267.836 1.00 0.00 C +ATOM 68 CA ALA A 68 234.795 259.611 267.545 1.00 0.00 C +ATOM 69 CA ARG A 69 233.187 261.781 264.857 1.00 0.00 C +ATOM 70 CA ASN A 70 230.150 263.312 266.574 1.00 0.00 C +ATOM 71 CA SER A 71 229.301 266.721 268.047 1.00 0.00 C +ATOM 72 CA LYS A 72 226.290 268.988 267.483 1.00 0.00 C +ATOM 73 CA LYS A 73 224.405 270.520 264.549 1.00 0.00 C +ATOM 74 CA LYS A 74 226.806 271.506 261.759 1.00 0.00 C +ATOM 75 CA GLU A 75 228.139 271.916 258.214 1.00 0.00 C +ATOM 76 CA GLY A 76 230.622 274.669 257.336 1.00 0.00 C +ATOM 77 CA THR A 77 232.308 275.293 253.977 1.00 0.00 C +ATOM 78 CA SER A 78 233.781 278.761 253.407 1.00 0.00 C +ATOM 79 CA SER A 79 236.781 278.997 251.070 1.00 0.00 C +ATOM 80 CA MET A 80 239.139 276.020 250.763 1.00 0.00 C +ATOM 81 CA PRO A 81 238.943 272.491 249.342 1.00 0.00 C +ATOM 82 CA PRO A 82 239.985 269.038 250.572 1.00 0.00 C +ATOM 83 CA PHE A 83 237.865 266.454 252.401 1.00 0.00 C +ATOM 84 CA ARG A 84 234.672 265.711 250.460 1.00 0.00 C +ATOM 85 CA LEU A 85 231.923 267.100 248.217 1.00 0.00 C +ATOM 86 CA ARG A 86 228.317 268.328 248.238 1.00 0.00 C +ATOM 87 CA ALA A 87 226.462 265.836 246.032 1.00 0.00 C +ATOM 88 CA ALA A 88 227.619 262.815 244.020 1.00 0.00 C +ATOM 89 CA ARG A 89 228.249 262.943 240.265 1.00 0.00 C +ATOM 90 CA ASP A 90 225.801 264.895 238.094 1.00 0.00 C +ATOM 91 CA ILE A 91 224.717 264.443 234.469 1.00 0.00 C +ATOM 92 CA PHE A 92 225.842 260.912 233.583 1.00 0.00 C +ATOM 93 CA ALA A 93 227.709 261.270 230.281 1.00 0.00 C +ATOM 94 CA SER A 94 225.573 260.932 227.144 1.00 0.00 C +TER 95 SER A 94 +END diff --git a/Fungi/A0A8K0PDY8/A0A8K0PDY8.dcd b/Fungi/A0A8K0PDY8/A0A8K0PDY8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..88add39e95ef66de9bbfc44bda7d7e92c62be575 --- /dev/null +++ b/Fungi/A0A8K0PDY8/A0A8K0PDY8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:713faf25fb24292de832a12f3591a377104cf83b5679b594cdc392ab09d756cd +size 17240276 diff --git a/Fungi/A0A8K0PDY8/top.pdb b/Fungi/A0A8K0PDY8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e862c4475d00c27ed03de3b71f4bafaffb54e2ef --- /dev/null +++ b/Fungi/A0A8K0PDY8/top.pdb @@ -0,0 +1,141 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 246.436 295.820 232.437 1.00 0.00 C +ATOM 2 CA ALA A 2 245.249 292.286 231.648 1.00 0.00 C +ATOM 3 CA LYS A 3 241.792 291.852 233.191 1.00 0.00 C +ATOM 4 CA SER A 4 242.156 290.549 236.752 1.00 0.00 C +ATOM 5 CA SER A 5 244.570 292.672 238.797 1.00 0.00 C +ATOM 6 CA ARG A 6 244.697 291.203 242.310 1.00 0.00 C +ATOM 7 CA SER A 7 247.334 288.474 242.650 1.00 0.00 C +ATOM 8 CA SER A 8 250.762 290.009 243.289 1.00 0.00 C +ATOM 9 CA ILE A 9 252.841 289.770 240.105 1.00 0.00 C +ATOM 10 CA ARG A 10 253.560 286.116 239.303 1.00 0.00 C +ATOM 11 CA LYS A 11 252.880 283.049 241.460 1.00 0.00 C +ATOM 12 CA THR A 12 249.432 281.467 241.102 1.00 0.00 C +ATOM 13 CA ASN A 13 249.348 278.416 243.382 1.00 0.00 C +ATOM 14 CA ARG A 14 246.873 277.919 246.236 1.00 0.00 C +ATOM 15 CA SER A 15 244.296 279.359 248.644 1.00 0.00 C +ATOM 16 CA ARG A 16 245.330 281.858 251.327 1.00 0.00 C +ATOM 17 CA LEU A 17 247.552 284.939 251.617 1.00 0.00 C +ATOM 18 CA LYS A 18 248.496 288.558 252.344 1.00 0.00 C +ATOM 19 CA SER A 19 246.623 291.811 252.995 1.00 0.00 C +ATOM 20 CA ARG A 20 243.230 292.185 254.688 1.00 0.00 C +ATOM 21 CA VAL A 21 241.727 290.539 257.777 1.00 0.00 C +ATOM 22 CA PHE A 22 239.311 290.249 260.709 1.00 0.00 C +ATOM 23 CA GLY A 23 239.000 286.949 262.589 1.00 0.00 C +ATOM 24 CA PRO A 24 237.937 283.889 260.584 1.00 0.00 C +ATOM 25 CA VAL A 25 239.382 284.446 257.103 1.00 0.00 C +ATOM 26 CA GLU A 26 239.129 283.931 253.336 1.00 0.00 C +ATOM 27 CA ASP A 27 237.214 281.450 251.170 1.00 0.00 C +ATOM 28 CA ALA A 28 234.522 279.596 249.213 1.00 0.00 C +ATOM 29 CA ARG A 29 235.800 276.328 247.728 1.00 0.00 C +ATOM 30 CA THR A 30 238.912 274.573 249.052 1.00 0.00 C +ATOM 31 CA LYS A 31 239.866 271.926 246.483 1.00 0.00 C +ATOM 32 CA ARG A 32 242.879 270.641 244.536 1.00 0.00 C +ATOM 33 CA LEU A 33 244.174 267.343 245.937 1.00 0.00 C +ATOM 34 CA SER A 34 246.670 265.585 243.658 1.00 0.00 C +ATOM 35 CA GLU A 35 248.976 262.584 243.218 1.00 0.00 C +ATOM 36 CA LYS A 36 249.084 261.586 239.543 1.00 0.00 C +ATOM 37 CA LEU A 37 248.484 261.785 235.785 1.00 0.00 C +ATOM 38 CA VAL A 38 247.607 258.637 233.826 1.00 0.00 C +ATOM 39 CA GLU A 39 245.967 255.846 235.834 1.00 0.00 C +ATOM 40 CA LEU A 40 247.235 254.143 238.998 1.00 0.00 C +ATOM 41 CA ALA A 41 245.034 251.218 240.054 1.00 0.00 C +ATOM 42 CA SER A 42 242.537 248.479 240.935 1.00 0.00 C +ATOM 43 CA GLN A 43 240.736 245.214 241.722 1.00 0.00 C +ATOM 44 CA PRO A 44 240.829 242.052 243.844 1.00 0.00 C +ATOM 45 CA LYS A 45 240.914 238.990 246.110 1.00 0.00 C +ATOM 46 CA ALA A 46 241.148 237.318 249.526 1.00 0.00 C +ATOM 47 CA ALA A 47 241.914 233.591 249.325 1.00 0.00 C +ATOM 48 CA THR A 48 240.609 230.015 249.480 1.00 0.00 C +ATOM 49 CA THR A 49 243.402 227.441 249.184 1.00 0.00 C +ATOM 50 CA ASP A 50 244.581 224.319 251.022 1.00 0.00 C +ATOM 51 CA MET A 51 245.724 221.311 253.062 1.00 0.00 C +ATOM 52 CA ASP A 52 243.572 220.571 256.118 1.00 0.00 C +ATOM 53 CA ILE A 53 240.623 221.039 258.484 1.00 0.00 C +ATOM 54 CA GLU A 54 239.482 224.397 259.878 1.00 0.00 C +ATOM 55 CA LYS A 55 238.722 227.142 257.349 1.00 0.00 C +ATOM 56 CA THR A 56 235.033 227.487 256.461 1.00 0.00 C +ATOM 57 CA GLU A 57 232.649 225.057 254.750 1.00 0.00 C +ATOM 58 CA ASP A 58 229.329 226.821 254.132 1.00 0.00 C +ATOM 59 CA SER A 59 226.567 228.306 256.295 1.00 0.00 C +ATOM 60 CA LYS A 60 223.249 228.531 258.154 1.00 0.00 C +ATOM 61 CA ALA A 61 220.732 231.320 257.517 1.00 0.00 C +ATOM 62 CA ALA A 62 220.963 235.096 257.966 1.00 0.00 C +ATOM 63 CA GLU A 63 218.694 238.113 258.478 1.00 0.00 C +ATOM 64 CA GLN A 64 217.316 238.408 262.018 1.00 0.00 C +ATOM 65 CA GLU A 65 216.774 235.876 264.813 1.00 0.00 C +ATOM 66 CA SER A 66 214.241 233.263 263.685 1.00 0.00 C +ATOM 67 CA LYS A 67 214.136 229.663 264.930 1.00 0.00 C +ATOM 68 CA GLU A 68 213.381 226.113 263.773 1.00 0.00 C +ATOM 69 CA ASN A 69 215.950 223.721 265.255 1.00 0.00 C +ATOM 70 CA SER A 70 217.070 224.349 268.842 1.00 0.00 C +ATOM 71 CA GLY A 71 218.538 226.750 271.410 1.00 0.00 C +ATOM 72 CA HIS A 72 222.042 226.293 272.834 1.00 0.00 C +ATOM 73 CA ALA A 73 224.152 229.258 273.961 1.00 0.00 C +ATOM 74 CA ASP A 74 226.520 231.471 275.964 1.00 0.00 C +ATOM 75 CA ASP A 75 230.277 231.043 276.435 1.00 0.00 C +ATOM 76 CA ALA A 76 233.986 231.886 276.208 1.00 0.00 C +ATOM 77 CA ASP A 77 235.812 235.228 276.319 1.00 0.00 C +ATOM 78 CA MET A 78 239.547 235.979 276.288 1.00 0.00 C +ATOM 79 CA ASP A 79 241.781 237.997 273.954 1.00 0.00 C +ATOM 80 CA ILE A 80 245.058 236.883 272.360 1.00 0.00 C +ATOM 81 CA ASP A 81 247.198 240.025 272.107 1.00 0.00 C +ATOM 82 CA ASP A 82 249.388 242.506 273.996 1.00 0.00 C +ATOM 83 CA ALA A 83 252.489 243.191 276.101 1.00 0.00 C +ATOM 84 CA GLY A 84 255.627 241.053 275.791 1.00 0.00 C +ATOM 85 CA ASN A 85 258.242 242.238 278.296 1.00 0.00 C +ATOM 86 CA ASP A 86 261.163 244.455 279.331 1.00 0.00 C +ATOM 87 CA ASP A 87 262.828 247.509 277.775 1.00 0.00 C +ATOM 88 CA ASP A 88 264.274 248.049 274.291 1.00 0.00 C +ATOM 89 CA ALA A 89 264.703 249.651 270.861 1.00 0.00 C +ATOM 90 CA GLU A 90 266.558 248.723 267.666 1.00 0.00 C +ATOM 91 CA LYS A 91 265.237 249.642 264.212 1.00 0.00 C +ATOM 92 CA THR A 92 264.569 248.659 260.592 1.00 0.00 C +ATOM 93 CA THR A 93 264.179 245.512 258.481 1.00 0.00 C +ATOM 94 CA THR A 94 264.504 246.764 254.897 1.00 0.00 C +ATOM 95 CA VAL A 95 267.217 247.049 252.238 1.00 0.00 C +ATOM 96 CA SER A 96 268.403 243.795 250.651 1.00 0.00 C +ATOM 97 CA ARG A 97 271.713 244.014 248.776 1.00 0.00 C +ATOM 98 CA LYS A 98 274.373 241.332 248.279 1.00 0.00 C +ATOM 99 CA GLU A 99 275.145 237.868 249.664 1.00 0.00 C +ATOM 100 CA GLU A 100 277.740 235.186 248.895 1.00 0.00 C +ATOM 101 CA LYS A 101 277.918 234.481 245.155 1.00 0.00 C +ATOM 102 CA ARG A 102 276.913 231.456 243.068 1.00 0.00 C +ATOM 103 CA ARG A 103 275.699 227.886 243.612 1.00 0.00 C +ATOM 104 CA LYS A 104 273.893 225.338 241.429 1.00 0.00 C +ATOM 105 CA GLU A 105 275.813 225.179 238.142 1.00 0.00 C +ATOM 106 CA ALA A 106 275.889 223.935 234.541 1.00 0.00 C +ATOM 107 CA LYS A 107 275.000 224.473 230.875 1.00 0.00 C +ATOM 108 CA SER A 108 274.071 225.857 227.449 1.00 0.00 C +ATOM 109 CA ALA A 109 272.628 229.138 226.158 1.00 0.00 C +ATOM 110 CA ARG A 110 274.885 232.086 225.302 1.00 0.00 C +ATOM 111 CA ILE A 111 272.610 235.142 225.326 1.00 0.00 C +ATOM 112 CA ASP A 112 271.887 236.435 228.836 1.00 0.00 C +ATOM 113 CA LYS A 113 273.004 239.517 230.777 1.00 0.00 C +ATOM 114 CA LYS A 114 272.166 242.548 228.627 1.00 0.00 C +ATOM 115 CA ARG A 115 274.768 245.145 229.628 1.00 0.00 C +ATOM 116 CA HIS A 116 278.346 244.067 230.370 1.00 0.00 C +ATOM 117 CA ARG A 117 279.555 241.885 233.250 1.00 0.00 C +ATOM 118 CA LYS A 118 280.081 238.585 235.079 1.00 0.00 C +ATOM 119 CA PRO A 119 276.817 237.200 236.474 1.00 0.00 C +ATOM 120 CA ARG A 120 274.717 239.404 238.765 1.00 0.00 C +ATOM 121 CA ASN A 121 271.413 241.183 239.424 1.00 0.00 C +ATOM 122 CA THR A 122 270.287 241.645 243.034 1.00 0.00 C +ATOM 123 CA VAL A 123 267.276 240.608 245.126 1.00 0.00 C +ATOM 124 CA SER A 124 263.699 240.061 243.934 1.00 0.00 C +ATOM 125 CA PHE A 125 263.248 239.200 240.250 1.00 0.00 C +ATOM 126 CA PRO A 126 264.988 241.702 237.963 1.00 0.00 C +ATOM 127 CA LYS A 127 263.309 245.034 237.189 1.00 0.00 C +ATOM 128 CA LYS A 128 262.394 245.611 233.536 1.00 0.00 C +ATOM 129 CA ARG A 129 260.660 248.881 232.632 1.00 0.00 C +ATOM 130 CA GLN A 130 258.635 252.075 233.091 1.00 0.00 C +ATOM 131 CA PRO A 131 257.121 255.240 234.577 1.00 0.00 C +ATOM 132 CA GLY A 132 253.894 256.693 235.988 1.00 0.00 C +ATOM 133 CA ARG A 133 252.998 256.770 239.690 1.00 0.00 C +ATOM 134 CA LYS A 134 253.620 254.626 242.778 1.00 0.00 C +ATOM 135 CA VAL A 135 253.539 251.368 244.751 1.00 0.00 C +ATOM 136 CA LYS A 136 251.079 248.463 244.905 1.00 0.00 C +ATOM 137 CA ILE A 137 248.674 245.516 245.124 1.00 0.00 C +TER 138 ILE A 137 +END diff --git a/Fungi/A0A8S0VZG6/A0A8S0VZG6.dcd b/Fungi/A0A8S0VZG6/A0A8S0VZG6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b95d6322f4644cfe5a7ff591d7bfa2b41c14247a --- /dev/null +++ b/Fungi/A0A8S0VZG6/A0A8S0VZG6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4b4434d83eeaa225f0f260320a6fc21e6d7f7bb6d223a2706ecc715950bae857 +size 39540276 diff --git a/Fungi/A0A8S0VZG6/top.pdb b/Fungi/A0A8S0VZG6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..62937c03a8b7fcf34f0456aedab2478253a37705 --- /dev/null +++ b/Fungi/A0A8S0VZG6/top.pdb @@ -0,0 +1,217 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 254.122 237.945 262.258 1.00 0.00 C +ATOM 2 CA SER A 2 251.057 235.718 261.851 1.00 0.00 C +ATOM 3 CA SER A 3 251.725 232.297 263.389 1.00 0.00 C +ATOM 4 CA PRO A 4 250.501 231.995 266.984 1.00 0.00 C +ATOM 5 CA THR A 5 248.557 232.245 270.252 1.00 0.00 C +ATOM 6 CA LYS A 6 250.893 233.156 273.121 1.00 0.00 C +ATOM 7 CA THR A 7 252.706 235.235 275.749 1.00 0.00 C +ATOM 8 CA SER A 8 253.027 239.031 275.823 1.00 0.00 C +ATOM 9 CA GLU A 9 256.059 240.670 274.199 1.00 0.00 C +ATOM 10 CA THR A 10 259.115 240.371 276.453 1.00 0.00 C +ATOM 11 CA GLN A 11 262.507 242.078 276.769 1.00 0.00 C +ATOM 12 CA ARG A 12 264.614 241.450 273.657 1.00 0.00 C +ATOM 13 CA LEU A 13 265.898 244.902 272.683 1.00 0.00 C +ATOM 14 CA LEU A 14 268.218 247.729 273.752 1.00 0.00 C +ATOM 15 CA GLU A 15 271.941 248.464 274.097 1.00 0.00 C +ATOM 16 CA GLN A 16 275.222 250.102 275.131 1.00 0.00 C +ATOM 17 CA GLN A 17 276.342 252.007 272.027 1.00 0.00 C +ATOM 18 CA ARG A 18 278.220 249.404 269.974 1.00 0.00 C +ATOM 19 CA LYS A 19 279.121 245.839 270.972 1.00 0.00 C +ATOM 20 CA LEU A 20 282.883 245.370 271.357 1.00 0.00 C +ATOM 21 CA ALA A 21 284.143 241.775 271.350 1.00 0.00 C +ATOM 22 CA GLU A 22 283.093 238.191 272.104 1.00 0.00 C +ATOM 23 CA GLU A 23 281.088 235.178 273.295 1.00 0.00 C +ATOM 24 CA LYS A 24 282.154 232.128 275.315 1.00 0.00 C +ATOM 25 CA MET A 25 283.341 228.689 274.184 1.00 0.00 C +ATOM 26 CA ARG A 26 281.967 225.346 275.389 1.00 0.00 C +ATOM 27 CA GLU A 27 280.191 225.799 278.729 1.00 0.00 C +ATOM 28 CA ARG A 28 279.454 222.825 280.994 1.00 0.00 C +ATOM 29 CA ALA A 29 278.658 219.632 279.075 1.00 0.00 C +ATOM 30 CA GLU A 30 276.795 219.200 275.780 1.00 0.00 C +ATOM 31 CA LYS A 31 276.173 218.287 272.134 1.00 0.00 C +ATOM 32 CA ALA A 32 275.080 219.326 268.635 1.00 0.00 C +ATOM 33 CA ARG A 33 274.140 222.074 266.170 1.00 0.00 C +ATOM 34 CA GLN A 34 271.710 224.923 266.873 1.00 0.00 C +ATOM 35 CA ARG A 35 269.542 226.640 264.253 1.00 0.00 C +ATOM 36 CA ARG A 36 267.920 229.252 262.003 1.00 0.00 C +ATOM 37 CA LEU A 37 266.227 231.707 264.375 1.00 0.00 C +ATOM 38 CA GLU A 38 268.818 234.367 265.230 1.00 0.00 C +ATOM 39 CA GLU A 39 272.602 234.599 265.611 1.00 0.00 C +ATOM 40 CA GLU A 40 274.944 235.076 262.644 1.00 0.00 C +ATOM 41 CA ARG A 41 274.712 236.658 259.186 1.00 0.00 C +ATOM 42 CA GLU A 42 275.700 239.952 257.548 1.00 0.00 C +ATOM 43 CA LYS A 43 272.950 242.577 257.812 1.00 0.00 C +ATOM 44 CA ALA A 44 271.335 243.185 261.209 1.00 0.00 C +ATOM 45 CA GLU A 45 269.238 241.168 263.668 1.00 0.00 C +ATOM 46 CA GLU A 46 267.359 240.595 266.934 1.00 0.00 C +ATOM 47 CA GLU A 47 263.611 240.416 267.590 1.00 0.00 C +ATOM 48 CA GLU A 48 261.128 242.242 265.349 1.00 0.00 C +ATOM 49 CA MET A 49 262.266 244.612 262.591 1.00 0.00 C +ATOM 50 CA ALA A 50 259.067 245.940 261.003 1.00 0.00 C +ATOM 51 CA ARG A 51 255.594 246.884 259.755 1.00 0.00 C +ATOM 52 CA ALA A 52 252.606 248.627 261.352 1.00 0.00 C +ATOM 53 CA LEU A 53 250.709 248.655 264.656 1.00 0.00 C +ATOM 54 CA ALA A 54 250.185 252.294 265.655 1.00 0.00 C +ATOM 55 CA ALA A 55 250.397 256.025 266.398 1.00 0.00 C +ATOM 56 CA VAL A 56 252.550 256.695 269.470 1.00 0.00 C +ATOM 57 CA GLU A 57 256.294 256.319 270.066 1.00 0.00 C +ATOM 58 CA GLN A 58 258.132 253.254 268.746 1.00 0.00 C +ATOM 59 CA VAL A 59 260.310 250.606 270.409 1.00 0.00 C +ATOM 60 CA ALA A 60 259.601 247.419 268.445 1.00 0.00 C +ATOM 61 CA GLU A 61 256.737 245.021 269.197 1.00 0.00 C +ATOM 62 CA GLU A 62 253.505 244.005 267.454 1.00 0.00 C +ATOM 63 CA GLU A 63 252.589 240.428 268.396 1.00 0.00 C +ATOM 64 CA TRP A 64 249.302 238.979 267.128 1.00 0.00 C +ATOM 65 CA LEU A 65 246.444 241.487 266.882 1.00 0.00 C +ATOM 66 CA ARG A 66 242.991 239.877 266.962 1.00 0.00 C +ATOM 67 CA GLU A 67 241.121 236.713 265.960 1.00 0.00 C +ATOM 68 CA GLU A 68 239.480 233.837 264.074 1.00 0.00 C +ATOM 69 CA ALA A 69 236.391 232.823 262.089 1.00 0.00 C +ATOM 70 CA ALA A 70 236.100 233.691 258.391 1.00 0.00 C +ATOM 71 CA ALA A 71 239.048 233.449 255.989 1.00 0.00 C +ATOM 72 CA GLN A 72 242.752 232.576 255.807 1.00 0.00 C +ATOM 73 CA GLN A 73 243.392 228.967 254.768 1.00 0.00 C +ATOM 74 CA ARG A 74 246.814 227.350 254.329 1.00 0.00 C +ATOM 75 CA LEU A 75 250.412 226.164 253.922 1.00 0.00 C +ATOM 76 CA GLN A 76 253.661 224.273 253.303 1.00 0.00 C +ATOM 77 CA GLU A 77 255.992 221.706 251.724 1.00 0.00 C +ATOM 78 CA GLN A 78 259.674 220.821 252.141 1.00 0.00 C +ATOM 79 CA GLU A 79 262.726 222.236 253.930 1.00 0.00 C +ATOM 80 CA ALA A 80 265.712 219.972 254.619 1.00 0.00 C +ATOM 81 CA ALA A 81 267.898 219.788 251.504 1.00 0.00 C +ATOM 82 CA GLU A 82 270.928 217.483 251.680 1.00 0.00 C +ATOM 83 CA ARG A 83 270.284 213.993 253.065 1.00 0.00 C +ATOM 84 CA ARG A 84 269.506 212.261 256.368 1.00 0.00 C +ATOM 85 CA LYS A 85 266.387 210.657 257.859 1.00 0.00 C +ATOM 86 CA ALA A 86 264.195 209.120 255.148 1.00 0.00 C +ATOM 87 CA ALA A 87 264.108 208.458 251.397 1.00 0.00 C +ATOM 88 CA ALA A 88 264.092 211.558 249.182 1.00 0.00 C +ATOM 89 CA ARG A 89 260.428 212.285 248.432 1.00 0.00 C +ATOM 90 CA LYS A 90 258.210 212.515 251.521 1.00 0.00 C +ATOM 91 CA ARG A 91 254.545 211.749 252.226 1.00 0.00 C +ATOM 92 CA ALA A 92 251.855 210.139 250.062 1.00 0.00 C +ATOM 93 CA LYS A 93 249.713 209.084 247.092 1.00 0.00 C +ATOM 94 CA GLU A 94 247.553 207.280 244.524 1.00 0.00 C +ATOM 95 CA LYS A 95 246.385 209.405 241.586 1.00 0.00 C +ATOM 96 CA ARG A 96 245.839 213.152 241.157 1.00 0.00 C +ATOM 97 CA ALA A 97 243.691 215.921 239.664 1.00 0.00 C +ATOM 98 CA GLU A 98 243.582 219.705 240.095 1.00 0.00 C +ATOM 99 CA GLU A 99 244.557 223.315 239.364 1.00 0.00 C +ATOM 100 CA GLU A 100 243.313 225.254 236.329 1.00 0.00 C +ATOM 101 CA ARG A 101 242.886 229.040 236.309 1.00 0.00 C +ATOM 102 CA ARG A 102 243.938 230.221 232.843 1.00 0.00 C +ATOM 103 CA LYS A 103 246.055 233.223 231.831 1.00 0.00 C +ATOM 104 CA ARG A 104 249.581 233.796 233.157 1.00 0.00 C +ATOM 105 CA ALA A 105 250.828 237.246 232.128 1.00 0.00 C +ATOM 106 CA LYS A 106 253.182 240.180 232.735 1.00 0.00 C +ATOM 107 CA GLU A 107 255.083 241.077 229.558 1.00 0.00 C +ATOM 108 CA GLU A 108 255.608 241.912 225.878 1.00 0.00 C +ATOM 109 CA ARG A 109 254.737 239.970 222.717 1.00 0.00 C +ATOM 110 CA LYS A 110 253.587 241.691 219.518 1.00 0.00 C +ATOM 111 CA ALA A 111 255.328 244.039 217.076 1.00 0.00 C +ATOM 112 CA GLU A 112 254.097 247.470 215.967 1.00 0.00 C +ATOM 113 CA GLU A 113 253.826 250.753 214.052 1.00 0.00 C +ATOM 114 CA GLU A 114 255.404 254.028 215.193 1.00 0.00 C +ATOM 115 CA ARG A 115 254.274 257.345 216.689 1.00 0.00 C +ATOM 116 CA ALA A 116 252.745 259.696 219.268 1.00 0.00 C +ATOM 117 CA ALA A 117 251.890 262.772 221.346 1.00 0.00 C +ATOM 118 CA GLU A 118 251.472 264.870 224.499 1.00 0.00 C +ATOM 119 CA ALA A 119 253.156 266.452 227.529 1.00 0.00 C +ATOM 120 CA ALA A 120 255.337 266.398 230.652 1.00 0.00 C +ATOM 121 CA ARG A 121 256.817 263.199 232.099 1.00 0.00 C +ATOM 122 CA GLN A 122 259.572 262.233 234.547 1.00 0.00 C +ATOM 123 CA ALA A 123 258.538 261.010 238.004 1.00 0.00 C +ATOM 124 CA ALA A 124 256.395 261.919 241.020 1.00 0.00 C +ATOM 125 CA ARG A 125 254.713 261.626 244.426 1.00 0.00 C +ATOM 126 CA PRO A 126 256.627 260.168 247.381 1.00 0.00 C +ATOM 127 CA THR A 127 255.776 256.519 248.074 1.00 0.00 C +ATOM 128 CA ALA A 128 255.041 252.941 249.155 1.00 0.00 C +ATOM 129 CA TYR A 129 254.130 251.209 252.424 1.00 0.00 C +ATOM 130 CA PRO A 130 253.566 247.496 253.065 1.00 0.00 C +ATOM 131 CA SER A 131 253.075 245.732 249.724 1.00 0.00 C +ATOM 132 CA THR A 132 250.684 243.104 248.348 1.00 0.00 C +ATOM 133 CA ASP A 133 247.404 241.478 247.295 1.00 0.00 C +ATOM 134 CA GLU A 134 244.477 243.130 249.089 1.00 0.00 C +ATOM 135 CA GLU A 135 241.205 244.328 247.547 1.00 0.00 C +ATOM 136 CA ASP A 136 237.474 243.625 247.873 1.00 0.00 C +ATOM 137 CA LYS A 137 235.932 244.369 244.469 1.00 0.00 C +ATOM 138 CA GLU A 138 235.990 246.425 241.262 1.00 0.00 C +ATOM 139 CA VAL A 139 236.755 249.963 240.074 1.00 0.00 C +ATOM 140 CA VAL A 140 234.832 252.880 238.554 1.00 0.00 C +ATOM 141 CA VAL A 141 233.166 256.117 237.431 1.00 0.00 C +ATOM 142 CA GLU A 142 230.626 257.508 234.955 1.00 0.00 C +ATOM 143 CA ARG A 143 227.044 258.806 234.969 1.00 0.00 C +ATOM 144 CA THR A 144 225.680 261.395 237.408 1.00 0.00 C +ATOM 145 CA LYS A 145 223.338 263.880 239.099 1.00 0.00 C +ATOM 146 CA ARG A 146 220.007 264.507 240.839 1.00 0.00 C +ATOM 147 CA LYS A 147 217.538 267.376 240.403 1.00 0.00 C +ATOM 148 CA GLY A 148 216.239 270.902 239.778 1.00 0.00 C +ATOM 149 CA LYS A 149 214.479 272.303 236.703 1.00 0.00 C +ATOM 150 CA GLY A 150 211.882 270.881 234.305 1.00 0.00 C +ATOM 151 CA ARG A 151 209.701 271.904 231.354 1.00 0.00 C +ATOM 152 CA VAL A 152 210.724 275.418 230.295 1.00 0.00 C +ATOM 153 CA VAL A 153 211.163 278.815 231.963 1.00 0.00 C +ATOM 154 CA GLU A 154 211.919 280.893 235.066 1.00 0.00 C +ATOM 155 CA SER A 155 212.162 284.684 235.363 1.00 0.00 C +ATOM 156 CA SER A 156 215.413 286.352 236.442 1.00 0.00 C +ATOM 157 CA ASP A 157 216.939 289.262 234.514 1.00 0.00 C +ATOM 158 CA GLU A 158 220.385 289.676 232.944 1.00 0.00 C +ATOM 159 CA SER A 159 222.582 290.870 235.819 1.00 0.00 C +ATOM 160 CA SER A 160 225.482 293.194 234.979 1.00 0.00 C +ATOM 161 CA SER A 161 226.823 296.375 233.366 1.00 0.00 C +ATOM 162 CA GLU A 162 229.847 298.655 232.955 1.00 0.00 C +ATOM 163 CA GLY A 163 233.240 297.087 232.212 1.00 0.00 C +ATOM 164 CA GLU A 164 235.093 293.759 232.292 1.00 0.00 C +ATOM 165 CA SER A 165 234.263 290.387 230.725 1.00 0.00 C +ATOM 166 CA GLY A 166 235.336 286.887 229.670 1.00 0.00 C +ATOM 167 CA SER A 167 234.656 284.552 226.737 1.00 0.00 C +ATOM 168 CA GLU A 168 236.273 282.059 224.352 1.00 0.00 C +ATOM 169 CA GLY A 169 237.065 278.795 226.151 1.00 0.00 C +ATOM 170 CA GLU A 170 235.815 275.263 225.462 1.00 0.00 C +ATOM 171 CA GLY A 171 236.300 271.681 226.668 1.00 0.00 C +ATOM 172 CA ARG A 172 234.957 270.236 229.928 1.00 0.00 C +ATOM 173 CA ARG A 173 234.012 268.849 233.348 1.00 0.00 C +ATOM 174 CA GLY A 174 231.528 269.463 236.171 1.00 0.00 C +ATOM 175 CA ARG A 175 228.746 272.014 236.689 1.00 0.00 C +ATOM 176 CA GLU A 176 228.519 274.902 239.163 1.00 0.00 C +ATOM 177 CA LYS A 177 229.491 275.819 242.731 1.00 0.00 C +ATOM 178 CA GLU A 178 228.433 278.292 245.430 1.00 0.00 C +ATOM 179 CA LYS A 179 226.952 277.334 248.807 1.00 0.00 C +ATOM 180 CA GLY A 180 226.885 275.281 252.016 1.00 0.00 C +ATOM 181 CA GLN A 181 223.795 273.350 253.129 1.00 0.00 C +ATOM 182 CA GLU A 182 220.254 272.815 254.431 1.00 0.00 C +ATOM 183 CA GLU A 183 218.291 269.658 253.595 1.00 0.00 C +ATOM 184 CA GLU A 184 217.640 266.179 252.185 1.00 0.00 C +ATOM 185 CA ASP A 185 216.614 262.567 251.540 1.00 0.00 C +ATOM 186 CA GLU A 186 217.935 259.900 253.918 1.00 0.00 C +ATOM 187 CA ASP A 187 220.201 257.586 251.911 1.00 0.00 C +ATOM 188 CA GLU A 188 223.253 259.063 250.173 1.00 0.00 C +ATOM 189 CA ASP A 189 225.916 261.776 250.421 1.00 0.00 C +ATOM 190 CA GLU A 190 228.482 263.966 248.650 1.00 0.00 C +ATOM 191 CA LYS A 191 227.934 263.797 244.883 1.00 0.00 C +ATOM 192 CA ASP A 192 229.406 266.540 242.686 1.00 0.00 C +ATOM 193 CA ASP A 193 232.261 269.061 242.621 1.00 0.00 C +ATOM 194 CA GLU A 194 236.051 269.407 242.433 1.00 0.00 C +ATOM 195 CA GLU A 195 239.860 269.396 242.502 1.00 0.00 C +ATOM 196 CA PRO A 196 243.191 269.743 240.685 1.00 0.00 C +ATOM 197 CA GLU A 197 245.448 272.691 241.541 1.00 0.00 C +ATOM 198 CA THR A 198 248.959 273.630 242.684 1.00 0.00 C +ATOM 199 CA ALA A 199 250.119 271.490 245.615 1.00 0.00 C +ATOM 200 CA ALA A 200 253.547 270.052 246.448 1.00 0.00 C +ATOM 201 CA ALA A 201 256.642 271.683 247.956 1.00 0.00 C +ATOM 202 CA THR A 202 260.253 270.863 248.854 1.00 0.00 C +ATOM 203 CA LYS A 203 263.241 269.970 251.043 1.00 0.00 C +ATOM 204 CA GLY A 204 266.495 271.425 249.696 1.00 0.00 C +ATOM 205 CA LYS A 205 267.526 269.479 246.588 1.00 0.00 C +ATOM 206 CA THR A 206 270.663 270.468 244.664 1.00 0.00 C +ATOM 207 CA LYS A 207 270.251 273.169 242.008 1.00 0.00 C +ATOM 208 CA THR A 208 270.138 276.976 242.101 1.00 0.00 C +ATOM 209 CA ALA A 209 269.869 280.675 242.974 1.00 0.00 C +ATOM 210 CA ARG A 210 268.973 281.299 246.624 1.00 0.00 C +ATOM 211 CA LYS A 211 271.612 280.844 249.334 1.00 0.00 C +ATOM 212 CA VAL A 212 273.292 283.530 251.450 1.00 0.00 C +ATOM 213 CA LYS A 213 272.746 286.334 253.972 1.00 0.00 C +TER 214 LYS A 213 +END diff --git a/Fungi/A0A8S0WFD2/A0A8S0WFD2.dcd b/Fungi/A0A8S0WFD2/A0A8S0WFD2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..3391db3edded62b5eef49408415d7b69a1be15c2 --- /dev/null +++ b/Fungi/A0A8S0WFD2/A0A8S0WFD2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bd92365d6ed8e3878fac5ca418c075dab3d087c8eb393ca28e0fcf67c2bc6ed0 +size 14840276 diff --git a/Fungi/A0A8S0WFD2/top.pdb b/Fungi/A0A8S0WFD2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..6af44eb9b0b86975bb0b429a8bf4b43a8b19da76 --- /dev/null +++ b/Fungi/A0A8S0WFD2/top.pdb @@ -0,0 +1,121 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 260.538 182.913 279.447 1.00 0.00 C +ATOM 2 CA TRP A 2 260.731 185.913 281.788 1.00 0.00 C +ATOM 3 CA GLU A 3 258.569 186.132 284.918 1.00 0.00 C +ATOM 4 CA ASN A 4 258.414 189.105 287.296 1.00 0.00 C +ATOM 5 CA GLN A 5 258.901 191.147 290.476 1.00 0.00 C +ATOM 6 CA PHE A 6 261.295 192.207 293.244 1.00 0.00 C +ATOM 7 CA HIS A 7 262.515 195.817 293.271 1.00 0.00 C +ATOM 8 CA VAL A 8 266.077 196.997 292.613 1.00 0.00 C +ATOM 9 CA GLY A 9 268.275 198.323 289.798 1.00 0.00 C +ATOM 10 CA ASN A 10 268.736 200.598 286.777 1.00 0.00 C +ATOM 11 CA SER A 11 267.490 201.379 283.262 1.00 0.00 C +ATOM 12 CA SER A 12 264.557 200.306 281.080 1.00 0.00 C +ATOM 13 CA PHE A 13 261.502 199.758 278.871 1.00 0.00 C +ATOM 14 CA LYS A 14 260.296 201.175 275.546 1.00 0.00 C +ATOM 15 CA ILE A 15 259.323 204.559 274.091 1.00 0.00 C +ATOM 16 CA ARG A 16 260.816 208.051 273.785 1.00 0.00 C +ATOM 17 CA ARG A 17 263.682 210.347 272.770 1.00 0.00 C +ATOM 18 CA SER A 18 262.432 213.923 273.177 1.00 0.00 C +ATOM 19 CA SER A 19 260.118 216.530 271.639 1.00 0.00 C +ATOM 20 CA SER A 20 256.546 216.409 270.320 1.00 0.00 C +ATOM 21 CA SER A 21 255.230 219.894 269.520 1.00 0.00 C +ATOM 22 CA THR A 22 253.688 219.785 266.038 1.00 0.00 C +ATOM 23 CA LEU A 23 250.006 218.853 266.344 1.00 0.00 C +ATOM 24 CA PRO A 24 247.664 221.837 266.700 1.00 0.00 C +ATOM 25 CA PRO A 25 245.504 224.674 265.358 1.00 0.00 C +ATOM 26 CA SER A 26 244.874 225.235 261.643 1.00 0.00 C +ATOM 27 CA ASN A 27 243.279 228.097 259.698 1.00 0.00 C +ATOM 28 CA ARG A 28 239.977 229.384 261.096 1.00 0.00 C +ATOM 29 CA ALA A 29 240.725 232.505 263.150 1.00 0.00 C +ATOM 30 CA ALA A 30 243.846 234.059 264.686 1.00 0.00 C +ATOM 31 CA PHE A 31 246.613 236.557 265.475 1.00 0.00 C +ATOM 32 CA SER A 32 247.406 238.846 262.535 1.00 0.00 C +ATOM 33 CA ILE A 33 245.898 239.279 259.062 1.00 0.00 C +ATOM 34 CA SER A 34 244.298 238.768 255.643 1.00 0.00 C +ATOM 35 CA LEU A 35 245.132 235.633 253.644 1.00 0.00 C +ATOM 36 CA GLY A 36 247.550 232.715 254.035 1.00 0.00 C +ATOM 37 CA LEU A 37 250.277 230.354 252.806 1.00 0.00 C +ATOM 38 CA ALA A 38 253.537 228.731 251.688 1.00 0.00 C +ATOM 39 CA PRO A 39 256.080 227.830 254.378 1.00 0.00 C +ATOM 40 CA CYS A 40 259.746 227.443 253.417 1.00 0.00 C +ATOM 41 CA ASN A 41 263.001 229.155 254.413 1.00 0.00 C +ATOM 42 CA ASP A 42 266.425 227.615 253.759 1.00 0.00 C +ATOM 43 CA SER A 43 270.200 227.718 253.259 1.00 0.00 C +ATOM 44 CA SER A 44 273.190 225.578 252.257 1.00 0.00 C +ATOM 45 CA LYS A 45 276.463 226.706 253.847 1.00 0.00 C +ATOM 46 CA ALA A 46 278.614 229.363 255.529 1.00 0.00 C +ATOM 47 CA PRO A 47 278.635 232.188 258.085 1.00 0.00 C +ATOM 48 CA GLN A 48 275.825 234.113 259.792 1.00 0.00 C +ATOM 49 CA ASN A 49 273.285 236.489 258.238 1.00 0.00 C +ATOM 50 CA VAL A 50 269.667 236.643 257.053 1.00 0.00 C +ATOM 51 CA ARG A 51 267.775 239.553 255.481 1.00 0.00 C +ATOM 52 CA GLU A 52 266.180 242.991 255.868 1.00 0.00 C +ATOM 53 CA HIS A 53 263.873 243.842 252.958 1.00 0.00 C +ATOM 54 CA ARG A 54 261.053 241.286 252.787 1.00 0.00 C +ATOM 55 CA GLU A 55 260.577 238.900 249.855 1.00 0.00 C +ATOM 56 CA GLU A 56 260.082 240.238 246.322 1.00 0.00 C +ATOM 57 CA ALA A 57 259.584 238.450 242.995 1.00 0.00 C +ATOM 58 CA SER A 58 261.298 240.345 240.169 1.00 0.00 C +ATOM 59 CA SER A 59 259.426 241.077 236.932 1.00 0.00 C +ATOM 60 CA SER A 60 260.430 242.381 233.496 1.00 0.00 C +ATOM 61 CA GLU A 61 260.583 244.601 230.404 1.00 0.00 C +ATOM 62 CA GLU A 62 261.072 244.637 226.625 1.00 0.00 C +ATOM 63 CA VAL A 63 258.500 246.832 224.870 1.00 0.00 C +ATOM 64 CA ILE A 64 256.922 250.191 224.010 1.00 0.00 C +ATOM 65 CA GLU A 65 255.037 253.421 223.281 1.00 0.00 C +ATOM 66 CA GLU A 66 251.550 254.807 222.622 1.00 0.00 C +ATOM 67 CA GLU A 67 250.373 255.031 219.005 1.00 0.00 C +ATOM 68 CA LYS A 68 249.609 257.592 216.290 1.00 0.00 C +ATOM 69 CA HIS A 69 250.332 260.993 214.731 1.00 0.00 C +ATOM 70 CA GLY A 70 247.862 263.701 215.770 1.00 0.00 C +ATOM 71 CA LEU A 71 246.436 262.832 219.195 1.00 0.00 C +ATOM 72 CA ARG A 72 245.733 264.005 222.751 1.00 0.00 C +ATOM 73 CA GLN A 73 244.712 266.830 225.094 1.00 0.00 C +ATOM 74 CA VAL A 74 242.551 269.422 226.863 1.00 0.00 C +ATOM 75 CA GLU A 75 238.988 268.366 227.704 1.00 0.00 C +ATOM 76 CA GLU A 76 237.812 267.582 231.242 1.00 0.00 C +ATOM 77 CA ARG A 77 235.643 269.887 233.364 1.00 0.00 C +ATOM 78 CA GLN A 78 234.870 268.104 236.641 1.00 0.00 C +ATOM 79 CA PHE A 79 236.932 269.733 239.400 1.00 0.00 C +ATOM 80 CA ALA A 80 239.108 272.748 240.231 1.00 0.00 C +ATOM 81 CA ALA A 81 237.904 275.602 238.012 1.00 0.00 C +ATOM 82 CA SER A 82 235.279 278.341 237.665 1.00 0.00 C +ATOM 83 CA ALA A 83 234.249 280.633 234.800 1.00 0.00 C +ATOM 84 CA GLY A 84 230.659 281.779 235.360 1.00 0.00 C +ATOM 85 CA SER A 85 228.253 283.231 232.786 1.00 0.00 C +ATOM 86 CA THR A 86 229.649 285.107 229.778 1.00 0.00 C +ATOM 87 CA GLY A 87 230.221 287.265 226.691 1.00 0.00 C +ATOM 88 CA VAL A 88 233.927 287.504 225.841 1.00 0.00 C +ATOM 89 CA GLY A 89 236.964 285.270 225.295 1.00 0.00 C +ATOM 90 CA ALA A 90 240.655 284.349 225.072 1.00 0.00 C +ATOM 91 CA PRO A 91 242.363 281.804 227.335 1.00 0.00 C +ATOM 92 CA SER A 92 243.220 283.309 230.729 1.00 0.00 C +ATOM 93 CA ASP A 93 242.528 286.880 231.861 1.00 0.00 C +ATOM 94 CA SER A 94 244.634 289.831 233.031 1.00 0.00 C +ATOM 95 CA TRP A 95 246.381 293.188 232.588 1.00 0.00 C +ATOM 96 CA ASP A 96 248.819 296.093 232.222 1.00 0.00 C +ATOM 97 CA PHE A 97 250.140 296.934 235.695 1.00 0.00 C +ATOM 98 CA THR A 98 252.713 299.479 236.887 1.00 0.00 C +ATOM 99 CA ASN A 99 253.701 298.780 240.500 1.00 0.00 C +ATOM 100 CA PRO A 100 250.885 297.439 242.688 1.00 0.00 C +ATOM 101 CA SER A 101 247.709 296.600 244.617 1.00 0.00 C +ATOM 102 CA SER A 102 248.227 295.006 248.039 1.00 0.00 C +ATOM 103 CA SER A 103 245.811 294.327 250.905 1.00 0.00 C +ATOM 104 CA SER A 104 243.475 291.398 250.214 1.00 0.00 C +ATOM 105 CA SER A 105 241.529 291.688 246.952 1.00 0.00 C +ATOM 106 CA SER A 106 238.119 293.009 248.023 1.00 0.00 C +ATOM 107 CA SER A 107 235.295 292.231 245.587 1.00 0.00 C +ATOM 108 CA PRO A 108 233.938 292.706 242.058 1.00 0.00 C +ATOM 109 CA LYS A 109 230.588 293.188 240.308 1.00 0.00 C +ATOM 110 CA ASN A 110 227.770 295.373 238.967 1.00 0.00 C +ATOM 111 CA HIS A 111 225.227 295.883 241.757 1.00 0.00 C +ATOM 112 CA GLY A 112 223.846 294.042 244.794 1.00 0.00 C +ATOM 113 CA LYS A 113 222.941 292.294 248.056 1.00 0.00 C +ATOM 114 CA ASP A 114 220.388 291.014 250.578 1.00 0.00 C +ATOM 115 CA ALA A 115 219.940 290.738 254.351 1.00 0.00 C +ATOM 116 CA PHE A 116 219.789 292.975 257.432 1.00 0.00 C +ATOM 117 CA ARG A 117 219.910 296.693 258.255 1.00 0.00 C +TER 118 ARG A 117 +END diff --git a/Fungi/A0A8S8ZKM1/A0A8S8ZKM1.dcd b/Fungi/A0A8S8ZKM1/A0A8S8ZKM1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..659633945a403038ce343d02be0e46104c734bd8 --- /dev/null +++ b/Fungi/A0A8S8ZKM1/A0A8S8ZKM1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4f60c3831c2a68f91325d2ba8186cee2ac22cbbc657f0b885530bcc6eee19313 +size 37020276 diff --git a/Fungi/A0A8S8ZKM1/top.pdb b/Fungi/A0A8S8ZKM1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3ba8140b16e7ad4852cf639a85e69c9b39129571 --- /dev/null +++ b/Fungi/A0A8S8ZKM1/top.pdb @@ -0,0 +1,203 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 225.333 266.953 291.910 1.00 0.00 C +ATOM 2 CA ALA A 2 227.344 269.416 294.008 1.00 0.00 C +ATOM 3 CA SER A 3 230.149 271.169 295.898 1.00 0.00 C +ATOM 4 CA VAL A 4 232.546 268.396 296.938 1.00 0.00 C +ATOM 5 CA ALA A 5 236.269 267.785 296.411 1.00 0.00 C +ATOM 6 CA GLN A 6 238.361 266.896 293.354 1.00 0.00 C +ATOM 7 CA ARG A 7 238.472 269.450 290.529 1.00 0.00 C +ATOM 8 CA GLN A 8 236.921 270.710 287.285 1.00 0.00 C +ATOM 9 CA ALA A 9 233.223 270.507 286.390 1.00 0.00 C +ATOM 10 CA GLN A 10 230.220 268.243 285.779 1.00 0.00 C +ATOM 11 CA PRO A 11 230.779 266.586 282.394 1.00 0.00 C +ATOM 12 CA ALA A 12 233.774 265.707 280.209 1.00 0.00 C +ATOM 13 CA GLN A 13 236.710 263.426 281.039 1.00 0.00 C +ATOM 14 CA PRO A 14 237.940 260.317 282.865 1.00 0.00 C +ATOM 15 CA SER A 15 240.567 260.531 285.617 1.00 0.00 C +ATOM 16 CA THR A 16 243.489 258.119 285.215 1.00 0.00 C +ATOM 17 CA SER A 17 243.873 254.775 283.430 1.00 0.00 C +ATOM 18 CA GLN A 18 245.018 255.693 279.913 1.00 0.00 C +ATOM 19 CA THR A 19 245.065 256.775 276.261 1.00 0.00 C +ATOM 20 CA ALA A 20 242.226 258.417 274.321 1.00 0.00 C +ATOM 21 CA ALA A 21 239.675 256.816 271.987 1.00 0.00 C +ATOM 22 CA PRO A 22 236.408 256.572 270.042 1.00 0.00 C +ATOM 23 CA THR A 23 234.988 253.054 269.693 1.00 0.00 C +ATOM 24 CA GLN A 24 236.291 250.835 266.884 1.00 0.00 C +ATOM 25 CA THR A 25 236.270 247.215 268.072 1.00 0.00 C +ATOM 26 CA GLN A 26 239.242 245.849 270.025 1.00 0.00 C +ATOM 27 CA THR A 27 240.593 242.643 271.578 1.00 0.00 C +ATOM 28 CA ASP A 28 238.703 239.877 269.762 1.00 0.00 C +ATOM 29 CA THR A 29 235.814 237.787 268.421 1.00 0.00 C +ATOM 30 CA SER A 30 235.449 234.830 270.796 1.00 0.00 C +ATOM 31 CA ALA A 31 236.759 235.198 274.355 1.00 0.00 C +ATOM 32 CA PRO A 32 240.020 236.599 275.740 1.00 0.00 C +ATOM 33 CA ALA A 33 243.156 238.763 275.747 1.00 0.00 C +ATOM 34 CA ILE A 34 244.598 241.995 277.157 1.00 0.00 C +ATOM 35 CA LEU A 35 245.919 243.726 280.284 1.00 0.00 C +ATOM 36 CA ARG A 36 244.455 247.065 281.390 1.00 0.00 C +ATOM 37 CA LEU A 37 245.497 249.496 278.647 1.00 0.00 C +ATOM 38 CA ARG A 38 249.140 250.487 278.134 1.00 0.00 C +ATOM 39 CA GLY A 39 252.025 251.805 280.244 1.00 0.00 C +ATOM 40 CA ALA A 40 253.099 255.454 280.457 1.00 0.00 C +ATOM 41 CA HIS A 41 256.909 255.424 280.445 1.00 0.00 C +ATOM 42 CA SER A 42 259.131 252.443 279.615 1.00 0.00 C +ATOM 43 CA ASN A 43 259.750 250.983 276.150 1.00 0.00 C +ATOM 44 CA GLY A 44 259.275 249.507 272.670 1.00 0.00 C +ATOM 45 CA ARG A 45 257.300 246.600 271.200 1.00 0.00 C +ATOM 46 CA SER A 46 254.124 248.015 269.641 1.00 0.00 C +ATOM 47 CA VAL A 47 251.803 246.439 267.064 1.00 0.00 C +ATOM 48 CA GLN A 48 248.418 248.179 266.872 1.00 0.00 C +ATOM 49 CA TRP A 49 247.461 251.866 266.937 1.00 0.00 C +ATOM 50 CA ARG A 50 250.222 254.480 266.696 1.00 0.00 C +ATOM 51 CA SER A 51 253.698 254.094 268.207 1.00 0.00 C +ATOM 52 CA ASP A 52 257.325 253.026 267.740 1.00 0.00 C +ATOM 53 CA VAL A 53 260.692 253.085 265.957 1.00 0.00 C +ATOM 54 CA VAL A 54 263.838 254.075 267.864 1.00 0.00 C +ATOM 55 CA ASP A 55 265.388 255.508 271.036 1.00 0.00 C +ATOM 56 CA ASN A 56 268.887 256.995 271.282 1.00 0.00 C +ATOM 57 CA GLU A 57 272.181 258.677 272.197 1.00 0.00 C +ATOM 58 CA GLY A 58 271.605 262.443 272.239 1.00 0.00 C +ATOM 59 CA LEU A 59 273.052 265.168 270.003 1.00 0.00 C +ATOM 60 CA GLY A 60 270.242 267.470 268.854 1.00 0.00 C +ATOM 61 CA ARG A 61 269.635 271.203 269.314 1.00 0.00 C +ATOM 62 CA LYS A 62 266.505 273.268 268.637 1.00 0.00 C +ATOM 63 CA LYS A 63 263.477 275.580 268.671 1.00 0.00 C +ATOM 64 CA SER A 64 259.872 276.800 268.479 1.00 0.00 C +ATOM 65 CA LYS A 65 256.519 278.595 268.261 1.00 0.00 C +ATOM 66 CA VAL A 66 256.945 282.274 267.369 1.00 0.00 C +ATOM 67 CA CYS A 67 258.449 285.452 265.900 1.00 0.00 C +ATOM 68 CA CYS A 68 260.463 287.580 268.336 1.00 0.00 C +ATOM 69 CA ILE A 69 264.198 286.862 268.554 1.00 0.00 C +ATOM 70 CA TYR A 70 266.658 289.159 266.768 1.00 0.00 C +ATOM 71 CA HIS A 71 267.059 291.718 263.974 1.00 0.00 C +ATOM 72 CA ARG A 72 265.344 290.589 260.764 1.00 0.00 C +ATOM 73 CA PRO A 73 262.864 289.252 258.199 1.00 0.00 C +ATOM 74 CA LYS A 74 262.944 290.290 254.534 1.00 0.00 C +ATOM 75 CA GLY A 75 262.033 293.267 252.337 1.00 0.00 C +ATOM 76 CA VAL A 76 260.907 296.615 250.909 1.00 0.00 C +ATOM 77 CA ASP A 77 258.447 297.604 248.173 1.00 0.00 C +ATOM 78 CA GLU A 78 255.390 296.480 246.197 1.00 0.00 C +ATOM 79 CA SER A 79 254.641 292.761 245.842 1.00 0.00 C +ATOM 80 CA SER A 80 251.817 292.063 243.381 1.00 0.00 C +ATOM 81 CA ASP A 81 248.832 290.046 244.623 1.00 0.00 C +ATOM 82 CA ASP A 82 247.472 287.318 246.909 1.00 0.00 C +ATOM 83 CA SER A 83 248.446 284.591 249.384 1.00 0.00 C +ATOM 84 CA SER A 84 247.319 281.117 250.470 1.00 0.00 C +ATOM 85 CA SER A 85 243.855 280.180 251.751 1.00 0.00 C +ATOM 86 CA ASP A 86 241.096 279.340 254.241 1.00 0.00 C +ATOM 87 CA SER A 87 238.467 280.434 256.773 1.00 0.00 C +ATOM 88 CA SER A 88 240.152 280.519 260.189 1.00 0.00 C +ATOM 89 CA SER A 89 243.754 281.557 260.872 1.00 0.00 C +ATOM 90 CA SER A 90 246.891 282.591 262.771 1.00 0.00 C +ATOM 91 CA SER A 91 247.256 285.669 264.987 1.00 0.00 C +ATOM 92 CA ASP A 92 244.959 288.706 265.113 1.00 0.00 C +ATOM 93 CA SER A 93 243.620 290.141 268.378 1.00 0.00 C +ATOM 94 CA ASP A 94 246.252 290.314 271.128 1.00 0.00 C +ATOM 95 CA SER A 95 246.724 287.456 273.602 1.00 0.00 C +ATOM 96 CA ASP A 96 247.652 284.944 276.312 1.00 0.00 C +ATOM 97 CA SER A 97 249.147 281.538 275.486 1.00 0.00 C +ATOM 98 CA GLU A 98 246.730 278.700 274.698 1.00 0.00 C +ATOM 99 CA PRO A 99 248.096 277.103 271.520 1.00 0.00 C +ATOM 100 CA ASP A 100 247.052 278.831 268.289 1.00 0.00 C +ATOM 101 CA MET A 101 243.351 278.818 267.385 1.00 0.00 C +ATOM 102 CA ASP A 102 240.161 276.781 266.957 1.00 0.00 C +ATOM 103 CA LYS A 103 237.054 274.812 265.962 1.00 0.00 C +ATOM 104 CA ARG A 104 237.980 271.144 265.508 1.00 0.00 C +ATOM 105 CA ILE A 105 239.908 268.515 263.537 1.00 0.00 C +ATOM 106 CA THR A 106 241.055 268.349 259.908 1.00 0.00 C +ATOM 107 CA SER A 107 243.647 270.741 258.467 1.00 0.00 C +ATOM 108 CA GLY A 108 244.708 273.887 256.597 1.00 0.00 C +ATOM 109 CA GLY A 109 244.807 273.107 252.869 1.00 0.00 C +ATOM 110 CA GLY A 110 243.257 274.104 249.534 1.00 0.00 C +ATOM 111 CA GLY A 111 242.629 272.873 245.983 1.00 0.00 C +ATOM 112 CA GLY A 112 241.540 271.192 242.743 1.00 0.00 C +ATOM 113 CA GLY A 113 242.867 269.857 239.430 1.00 0.00 C +ATOM 114 CA GLY A 114 243.945 268.780 235.938 1.00 0.00 C +ATOM 115 CA SER A 115 244.532 267.485 232.403 1.00 0.00 C +ATOM 116 CA GLY A 116 243.969 267.110 228.654 1.00 0.00 C +ATOM 117 CA GLY A 117 242.470 265.048 225.822 1.00 0.00 C +ATOM 118 CA SER A 118 241.145 261.978 223.996 1.00 0.00 C +ATOM 119 CA GLY A 119 238.133 259.652 223.801 1.00 0.00 C +ATOM 120 CA GLY A 120 235.224 257.228 223.378 1.00 0.00 C +ATOM 121 CA ARG A 121 234.006 256.104 226.808 1.00 0.00 C +ATOM 122 CA GLY A 122 231.881 258.406 228.977 1.00 0.00 C +ATOM 123 CA CYS A 123 232.454 261.816 230.577 1.00 0.00 C +ATOM 124 CA HIS A 124 232.536 261.166 234.330 1.00 0.00 C +ATOM 125 CA GLY A 125 233.480 262.440 237.795 1.00 0.00 C +ATOM 126 CA HIS A 126 235.920 259.911 239.268 1.00 0.00 C +ATOM 127 CA SER A 127 237.015 256.717 237.503 1.00 0.00 C +ATOM 128 CA SER A 128 240.624 255.834 238.344 1.00 0.00 C +ATOM 129 CA HIS A 129 241.993 253.634 241.137 1.00 0.00 C +ATOM 130 CA ASN A 130 239.308 251.075 242.008 1.00 0.00 C +ATOM 131 CA HIS A 131 235.977 250.111 240.429 1.00 0.00 C +ATOM 132 CA ASN A 132 236.259 246.484 239.298 1.00 0.00 C +ATOM 133 CA HIS A 133 236.645 244.775 235.915 1.00 0.00 C +ATOM 134 CA ASP A 134 236.287 245.455 232.184 1.00 0.00 C +ATOM 135 CA HIS A 135 239.179 246.450 229.912 1.00 0.00 C +ATOM 136 CA ASP A 136 242.721 247.706 230.542 1.00 0.00 C +ATOM 137 CA HIS A 137 245.386 245.924 228.482 1.00 0.00 C +ATOM 138 CA GLY A 138 248.808 246.569 226.936 1.00 0.00 C +ATOM 139 CA GLU A 139 251.191 243.647 227.480 1.00 0.00 C +ATOM 140 CA GLY A 140 250.965 240.358 229.390 1.00 0.00 C +ATOM 141 CA GLY A 141 252.727 237.050 230.078 1.00 0.00 C +ATOM 142 CA CYS A 142 255.768 234.864 230.776 1.00 0.00 C +ATOM 143 CA ASN A 143 255.875 231.629 228.766 1.00 0.00 C +ATOM 144 CA HIS A 144 257.895 228.958 226.949 1.00 0.00 C +ATOM 145 CA ASP A 145 260.774 227.454 224.958 1.00 0.00 C +ATOM 146 CA HIS A 146 262.732 224.736 223.143 1.00 0.00 C +ATOM 147 CA ASP A 147 264.091 225.918 219.786 1.00 0.00 C +ATOM 148 CA GLY A 148 265.419 229.362 218.840 1.00 0.00 C +ATOM 149 CA ARG A 149 262.353 231.285 217.649 1.00 0.00 C +ATOM 150 CA GLY A 150 258.627 231.756 218.289 1.00 0.00 C +ATOM 151 CA ARG A 151 255.821 232.434 220.776 1.00 0.00 C +ATOM 152 CA LYS A 152 253.654 234.489 223.142 1.00 0.00 C +ATOM 153 CA SER A 153 253.080 238.014 221.816 1.00 0.00 C +ATOM 154 CA SER A 154 249.299 238.486 221.824 1.00 0.00 C +ATOM 155 CA ASP A 155 247.274 239.574 218.786 1.00 0.00 C +ATOM 156 CA LYS A 156 246.177 243.164 218.135 1.00 0.00 C +ATOM 157 CA GLY A 157 247.644 246.048 216.123 1.00 0.00 C +ATOM 158 CA LYS A 158 250.724 245.694 213.908 1.00 0.00 C +ATOM 159 CA LYS A 159 252.494 242.701 212.351 1.00 0.00 C +ATOM 160 CA LYS A 160 252.870 240.031 209.659 1.00 0.00 C +ATOM 161 CA ARG A 161 254.324 236.673 208.599 1.00 0.00 C +ATOM 162 CA GLU A 162 257.928 236.287 207.425 1.00 0.00 C +ATOM 163 CA ARG A 163 260.826 237.835 209.355 1.00 0.00 C +ATOM 164 CA ARG A 164 264.174 237.609 207.550 1.00 0.00 C +ATOM 165 CA PRO A 165 266.631 236.573 210.271 1.00 0.00 C +ATOM 166 CA SER A 166 268.220 237.632 213.568 1.00 0.00 C +ATOM 167 CA PRO A 167 269.425 234.605 215.544 1.00 0.00 C +ATOM 168 CA ASN A 168 269.262 231.115 214.023 1.00 0.00 C +ATOM 169 CA ALA A 169 271.450 228.520 215.752 1.00 0.00 C +ATOM 170 CA TYR A 170 274.203 227.301 213.417 1.00 0.00 C +ATOM 171 CA GLU A 171 275.060 223.865 212.011 1.00 0.00 C +ATOM 172 CA LYS A 172 272.329 221.423 213.054 1.00 0.00 C +ATOM 173 CA MET A 173 270.436 218.559 211.403 1.00 0.00 C +ATOM 174 CA PRO A 174 267.051 216.948 212.086 1.00 0.00 C +ATOM 175 CA LYS A 175 264.398 214.449 213.195 1.00 0.00 C +ATOM 176 CA TYR A 176 264.805 211.939 216.032 1.00 0.00 C +ATOM 177 CA LYS A 177 264.566 211.591 219.819 1.00 0.00 C +ATOM 178 CA PRO A 178 265.402 208.744 222.208 1.00 0.00 C +ATOM 179 CA LYS A 179 265.108 204.950 222.009 1.00 0.00 C +ATOM 180 CA ASP A 180 262.662 203.352 224.454 1.00 0.00 C +ATOM 181 CA GLY A 181 261.844 199.669 224.986 1.00 0.00 C +ATOM 182 CA GLY A 182 258.615 198.531 223.316 1.00 0.00 C +ATOM 183 CA GLU A 183 255.559 197.596 221.241 1.00 0.00 C +ATOM 184 CA ALA A 184 252.969 194.938 220.378 1.00 0.00 C +ATOM 185 CA GLY A 185 250.652 193.678 223.127 1.00 0.00 C +ATOM 186 CA GLY A 186 249.334 191.826 226.185 1.00 0.00 C +ATOM 187 CA PRO A 187 251.608 191.241 229.185 1.00 0.00 C +ATOM 188 CA SER A 188 251.874 187.776 230.747 1.00 0.00 C +ATOM 189 CA ASN A 189 250.084 184.639 231.960 1.00 0.00 C +ATOM 190 CA PRO A 190 251.480 181.799 229.838 1.00 0.00 C +ATOM 191 CA GLY A 191 254.377 180.176 231.706 1.00 0.00 C +ATOM 192 CA PRO A 192 256.459 177.555 233.526 1.00 0.00 C +ATOM 193 CA GLN A 193 255.537 173.859 233.426 1.00 0.00 C +ATOM 194 CA GLY A 194 254.824 170.312 232.233 1.00 0.00 C +ATOM 195 CA PRO A 195 253.260 166.955 233.128 1.00 0.00 C +ATOM 196 CA THR A 196 253.992 164.689 236.102 1.00 0.00 C +ATOM 197 CA GLY A 197 251.281 162.414 237.512 1.00 0.00 C +ATOM 198 CA SER A 198 247.684 161.158 237.473 1.00 0.00 C +ATOM 199 CA LYS A 199 244.374 162.606 236.264 1.00 0.00 C +TER 200 LYS A 199 +END diff --git a/Fungi/A0A8T8S8E8/A0A8T8S8E8.dcd b/Fungi/A0A8T8S8E8/A0A8T8S8E8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..20bbce5d3f75026c825b9126989b4bbb2f282c28 --- /dev/null +++ b/Fungi/A0A8T8S8E8/A0A8T8S8E8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6083beaafe7b91cd4ddd3b0a815ecfd0dc841427f9853da0039b022b66a9b028 +size 21200276 diff --git a/Fungi/A0A8T8S8E8/top.pdb b/Fungi/A0A8T8S8E8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..cc86ad8983ea8c237270b8285711b83ed3e38922 --- /dev/null +++ b/Fungi/A0A8T8S8E8/top.pdb @@ -0,0 +1,174 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 262.974 272.035 277.610 1.00 0.00 C +ATOM 2 CA ARG A 2 264.851 272.303 280.915 1.00 0.00 C +ATOM 3 CA SER A 3 263.813 269.878 283.665 1.00 0.00 C +ATOM 4 CA GLY A 4 262.785 269.380 287.300 1.00 0.00 C +ATOM 5 CA MET A 5 259.017 269.724 287.743 1.00 0.00 C +ATOM 6 CA GLY A 6 257.983 273.388 287.891 1.00 0.00 C +ATOM 7 CA ASN A 7 257.701 276.154 290.496 1.00 0.00 C +ATOM 8 CA VAL A 8 256.293 278.177 293.402 1.00 0.00 C +ATOM 9 CA ARG A 9 252.812 277.755 294.890 1.00 0.00 C +ATOM 10 CA GLY A 10 251.107 279.530 297.799 1.00 0.00 C +ATOM 11 CA GLN A 11 247.593 278.237 298.501 1.00 0.00 C +ATOM 12 CA ARG A 12 246.230 280.211 301.461 1.00 0.00 C +ATOM 13 CA VAL A 13 246.904 278.686 304.886 1.00 0.00 C +ATOM 14 CA GLU A 14 249.370 275.794 304.616 1.00 0.00 C +ATOM 15 CA PRO A 15 251.048 272.600 303.392 1.00 0.00 C +ATOM 16 CA SER A 16 248.815 269.818 302.054 1.00 0.00 C +ATOM 17 CA THR A 17 247.032 266.862 300.443 1.00 0.00 C +ATOM 18 CA GLY A 18 245.295 267.638 297.142 1.00 0.00 C +ATOM 19 CA GLU A 19 244.886 265.002 294.421 1.00 0.00 C +ATOM 20 CA ARG A 20 245.296 261.215 294.333 1.00 0.00 C +ATOM 21 CA GLU A 21 242.287 258.923 293.878 1.00 0.00 C +ATOM 22 CA ARG A 22 240.251 259.298 290.680 1.00 0.00 C +ATOM 23 CA ARG A 23 242.218 260.455 287.629 1.00 0.00 C +ATOM 24 CA HIS A 24 242.521 260.960 283.865 1.00 0.00 C +ATOM 25 CA HIS A 25 241.333 264.283 282.428 1.00 0.00 C +ATOM 26 CA HIS A 26 240.101 266.502 279.586 1.00 0.00 C +ATOM 27 CA HIS A 27 240.057 270.111 278.366 1.00 0.00 C +ATOM 28 CA HIS A 28 239.283 273.810 277.878 1.00 0.00 C +ATOM 29 CA HIS A 29 238.711 276.073 274.867 1.00 0.00 C +ATOM 30 CA HIS A 30 241.609 276.128 272.394 1.00 0.00 C +ATOM 31 CA GLY A 31 242.287 279.453 270.662 1.00 0.00 C +ATOM 32 CA GLY A 32 245.540 281.211 271.583 1.00 0.00 C +ATOM 33 CA ALA A 33 247.350 284.454 270.737 1.00 0.00 C +ATOM 34 CA SER A 34 249.709 285.088 273.662 1.00 0.00 C +ATOM 35 CA ARG A 35 253.347 285.825 272.804 1.00 0.00 C +ATOM 36 CA LYS A 36 257.093 285.280 272.372 1.00 0.00 C +ATOM 37 CA ALA A 37 259.913 282.752 271.950 1.00 0.00 C +ATOM 38 CA GLY A 38 260.326 280.994 268.596 1.00 0.00 C +ATOM 39 CA GLY A 39 258.129 280.843 265.487 1.00 0.00 C +ATOM 40 CA GLY A 40 259.946 280.885 262.139 1.00 0.00 C +ATOM 41 CA GLU A 41 263.431 282.326 261.597 1.00 0.00 C +ATOM 42 CA ASP A 42 266.913 280.785 261.716 1.00 0.00 C +ATOM 43 CA GLY A 43 270.306 281.611 260.192 1.00 0.00 C +ATOM 44 CA LYS A 44 271.626 283.044 256.917 1.00 0.00 C +ATOM 45 CA ILE A 45 273.785 282.433 253.838 1.00 0.00 C +ATOM 46 CA THR A 46 273.626 278.880 252.470 1.00 0.00 C +ATOM 47 CA SER A 47 275.083 275.917 250.569 1.00 0.00 C +ATOM 48 CA SER A 48 276.088 272.413 251.678 1.00 0.00 C +ATOM 49 CA SER A 49 276.613 269.281 253.782 1.00 0.00 C +ATOM 50 CA SER A 50 274.558 267.558 256.489 1.00 0.00 C +ATOM 51 CA SER A 51 276.541 267.052 259.702 1.00 0.00 C +ATOM 52 CA SER A 52 279.645 267.559 261.853 1.00 0.00 C +ATOM 53 CA ALA A 53 283.183 268.046 263.179 1.00 0.00 C +ATOM 54 CA ALA A 54 285.820 265.516 264.258 1.00 0.00 C +ATOM 55 CA GLY A 55 287.027 263.534 261.236 1.00 0.00 C +ATOM 56 CA ALA A 56 287.082 262.019 257.740 1.00 0.00 C +ATOM 57 CA GLY A 57 283.886 260.136 256.869 1.00 0.00 C +ATOM 58 CA ALA A 58 283.511 256.676 258.420 1.00 0.00 C +ATOM 59 CA GLY A 59 283.723 253.731 256.012 1.00 0.00 C +ATOM 60 CA ALA A 60 280.359 252.646 254.590 1.00 0.00 C +ATOM 61 CA GLU A 61 280.010 254.102 251.086 1.00 0.00 C +ATOM 62 CA GLY A 62 281.810 253.494 247.784 1.00 0.00 C +ATOM 63 CA SER A 63 282.477 250.056 246.285 1.00 0.00 C +ATOM 64 CA SER A 64 280.157 247.446 244.758 1.00 0.00 C +ATOM 65 CA SER A 65 280.793 243.716 244.319 1.00 0.00 C +ATOM 66 CA ALA A 66 279.301 241.960 241.285 1.00 0.00 C +ATOM 67 CA GLY A 67 279.105 240.985 237.607 1.00 0.00 C +ATOM 68 CA GLY A 68 282.060 239.508 235.709 1.00 0.00 C +ATOM 69 CA LYS A 69 282.286 236.395 233.523 1.00 0.00 C +ATOM 70 CA LYS A 70 279.088 235.423 231.693 1.00 0.00 C +ATOM 71 CA GLU A 71 276.333 237.898 230.798 1.00 0.00 C +ATOM 72 CA GLY A 72 272.883 238.627 232.241 1.00 0.00 C +ATOM 73 CA LYS A 73 270.611 236.844 234.726 1.00 0.00 C +ATOM 74 CA SER A 74 270.676 235.079 238.102 1.00 0.00 C +ATOM 75 CA VAL A 75 267.340 233.350 238.729 1.00 0.00 C +ATOM 76 CA LEU A 76 264.623 235.328 236.933 1.00 0.00 C +ATOM 77 CA ILE A 77 261.095 236.028 235.676 1.00 0.00 C +ATOM 78 CA ASP A 78 258.032 235.133 237.758 1.00 0.00 C +ATOM 79 CA SER A 79 256.105 235.076 241.044 1.00 0.00 C +ATOM 80 CA ASP A 80 256.629 238.464 242.707 1.00 0.00 C +ATOM 81 CA SER A 81 254.195 241.268 241.854 1.00 0.00 C +ATOM 82 CA ASP A 82 252.320 242.965 239.004 1.00 0.00 C +ATOM 83 CA SER A 83 249.521 243.117 236.423 1.00 0.00 C +ATOM 84 CA SER A 84 247.513 239.883 236.576 1.00 0.00 C +ATOM 85 CA ASP A 85 246.534 236.389 235.413 1.00 0.00 C +ATOM 86 CA SER A 86 247.598 235.180 231.960 1.00 0.00 C +ATOM 87 CA SER A 87 245.044 235.482 229.149 1.00 0.00 C +ATOM 88 CA ASP A 88 244.400 238.058 226.418 1.00 0.00 C +ATOM 89 CA GLU A 89 247.194 239.016 224.011 1.00 0.00 C +ATOM 90 CA GLU A 90 250.308 240.709 225.408 1.00 0.00 C +ATOM 91 CA VAL A 91 252.042 243.706 226.997 1.00 0.00 C +ATOM 92 CA GLU A 92 253.769 245.530 229.862 1.00 0.00 C +ATOM 93 CA ASP A 93 255.739 248.475 228.461 1.00 0.00 C +ATOM 94 CA ASP A 94 258.180 250.851 230.166 1.00 0.00 C +ATOM 95 CA GLU A 95 258.834 254.400 231.389 1.00 0.00 C +ATOM 96 CA GLU A 96 258.783 258.152 230.732 1.00 0.00 C +ATOM 97 CA ASP A 97 260.677 261.196 232.022 1.00 0.00 C +ATOM 98 CA GLU A 98 260.401 261.312 235.821 1.00 0.00 C +ATOM 99 CA GLU A 99 257.097 260.988 237.690 1.00 0.00 C +ATOM 100 CA PHE A 100 256.797 257.277 238.501 1.00 0.00 C +ATOM 101 CA ALA A 101 254.216 256.438 241.175 1.00 0.00 C +ATOM 102 CA TYR A 102 251.531 257.391 243.704 1.00 0.00 C +ATOM 103 CA ALA A 103 248.915 255.142 245.322 1.00 0.00 C +ATOM 104 CA ARG A 104 245.779 253.339 246.518 1.00 0.00 C +ATOM 105 CA THR A 105 245.173 251.973 250.023 1.00 0.00 C +ATOM 106 CA LYS A 106 244.047 248.337 249.859 1.00 0.00 C +ATOM 107 CA LYS A 107 242.394 245.069 250.909 1.00 0.00 C +ATOM 108 CA GLY A 108 244.614 242.631 252.817 1.00 0.00 C +ATOM 109 CA SER A 109 244.980 241.990 256.555 1.00 0.00 C +ATOM 110 CA ALA A 110 243.014 238.889 257.573 1.00 0.00 C +ATOM 111 CA THR A 111 240.312 237.817 255.110 1.00 0.00 C +ATOM 112 CA GLY A 112 237.329 235.834 256.408 1.00 0.00 C +ATOM 113 CA ASN A 113 234.202 237.860 257.207 1.00 0.00 C +ATOM 114 CA LEU A 114 231.012 239.869 256.659 1.00 0.00 C +ATOM 115 CA SER A 115 231.086 242.788 259.107 1.00 0.00 C +ATOM 116 CA SER A 116 228.617 245.546 260.011 1.00 0.00 C +ATOM 117 CA SER A 117 227.070 246.760 256.748 1.00 0.00 C +ATOM 118 CA ALA A 118 226.417 249.743 254.470 1.00 0.00 C +ATOM 119 CA ALA A 119 224.403 252.607 252.967 1.00 0.00 C +ATOM 120 CA ALA A 120 223.159 255.432 250.733 1.00 0.00 C +ATOM 121 CA ALA A 121 222.521 254.101 247.220 1.00 0.00 C +ATOM 122 CA PHE A 122 224.354 250.804 246.687 1.00 0.00 C +ATOM 123 CA LYS A 123 227.282 248.510 245.862 1.00 0.00 C +ATOM 124 CA ALA A 124 230.675 250.202 245.493 1.00 0.00 C +ATOM 125 CA THR A 125 233.093 250.012 242.555 1.00 0.00 C +ATOM 126 CA HIS A 126 233.968 251.677 239.242 1.00 0.00 C +ATOM 127 CA GLN A 127 234.807 255.067 237.718 1.00 0.00 C +ATOM 128 CA ARG A 128 238.161 256.754 237.068 1.00 0.00 C +ATOM 129 CA ARG A 129 241.285 254.593 237.362 1.00 0.00 C +ATOM 130 CA THR A 130 243.673 251.682 237.945 1.00 0.00 C +ATOM 131 CA PRO A 131 244.946 248.501 239.611 1.00 0.00 C +ATOM 132 CA SER A 132 245.600 247.727 243.284 1.00 0.00 C +ATOM 133 CA SER A 133 248.775 247.070 245.285 1.00 0.00 C +ATOM 134 CA SER A 134 251.649 245.293 247.044 1.00 0.00 C +ATOM 135 CA SER A 135 251.666 241.741 248.421 1.00 0.00 C +ATOM 136 CA LEU A 136 248.130 240.322 248.437 1.00 0.00 C +ATOM 137 CA SER A 137 247.752 237.352 250.793 1.00 0.00 C +ATOM 138 CA ALA A 138 246.098 234.077 249.765 1.00 0.00 C +ATOM 139 CA ALA A 139 243.009 231.916 249.215 1.00 0.00 C +ATOM 140 CA ALA A 140 239.427 230.830 248.504 1.00 0.00 C +ATOM 141 CA GLY A 141 238.641 228.117 251.062 1.00 0.00 C +ATOM 142 CA ALA A 142 235.402 226.178 251.577 1.00 0.00 C +ATOM 143 CA SER A 143 231.999 227.805 251.037 1.00 0.00 C +ATOM 144 CA PRO A 144 229.844 228.279 247.931 1.00 0.00 C +ATOM 145 CA SER A 145 228.861 228.083 244.255 1.00 0.00 C +ATOM 146 CA THR A 146 228.451 229.360 240.688 1.00 0.00 C +ATOM 147 CA ALA A 147 228.946 226.255 238.536 1.00 0.00 C +ATOM 148 CA THR A 148 230.237 222.695 238.117 1.00 0.00 C +ATOM 149 CA THR A 149 232.264 220.679 235.599 1.00 0.00 C +ATOM 150 CA SER A 150 233.671 217.229 234.806 1.00 0.00 C +ATOM 151 CA SER A 151 231.981 214.361 232.952 1.00 0.00 C +ATOM 152 CA SER A 152 231.231 213.929 229.242 1.00 0.00 C +ATOM 153 CA ALA A 153 229.025 212.358 226.562 1.00 0.00 C +ATOM 154 CA THR A 154 229.388 214.666 223.552 1.00 0.00 C +ATOM 155 CA GLY A 155 231.134 215.141 220.199 1.00 0.00 C +ATOM 156 CA ALA A 156 230.425 217.796 217.560 1.00 0.00 C +ATOM 157 CA ILE A 157 227.401 218.971 215.562 1.00 0.00 C +ATOM 158 CA ALA A 158 225.690 217.751 212.384 1.00 0.00 C +ATOM 159 CA GLY A 159 224.809 217.684 208.678 1.00 0.00 C +ATOM 160 CA PRO A 160 224.493 218.093 204.903 1.00 0.00 C +ATOM 161 CA THR A 161 224.116 221.396 203.042 1.00 0.00 C +ATOM 162 CA THR A 162 223.901 220.486 199.348 1.00 0.00 C +ATOM 163 CA GLY A 163 222.160 221.708 196.187 1.00 0.00 C +ATOM 164 CA ALA A 164 222.855 220.366 192.689 1.00 0.00 C +ATOM 165 CA LYS A 165 225.980 218.465 191.624 1.00 0.00 C +ATOM 166 CA GLU A 166 225.681 214.712 191.038 1.00 0.00 C +ATOM 167 CA ARG A 167 226.912 211.164 190.396 1.00 0.00 C +ATOM 168 CA GLN A 168 227.239 207.419 191.017 1.00 0.00 C +ATOM 169 CA CYS A 169 228.238 204.448 193.183 1.00 0.00 C +ATOM 170 CA GLY A 170 228.898 202.974 196.634 1.00 0.00 C +TER 171 GLY A 170 +END diff --git a/Fungi/A0A8T8WPH0/A0A8T8WPH0.dcd b/Fungi/A0A8T8WPH0/A0A8T8WPH0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..773e69e1baa1adf17852bdd1272e883d53d56f1e --- /dev/null +++ b/Fungi/A0A8T8WPH0/A0A8T8WPH0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4b15d3f904d07da0997022a9ad3043acba62347423432765081ebc6ea52acf06 +size 7880276 diff --git a/Fungi/A0A8T8WPH0/top.pdb b/Fungi/A0A8T8WPH0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b60ae3af7b780e74056889ddba0c878d4d6a8e36 --- /dev/null +++ b/Fungi/A0A8T8WPH0/top.pdb @@ -0,0 +1,63 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 273.500 290.694 247.957 1.00 0.00 C +ATOM 2 CA GLU A 2 273.076 286.967 248.624 1.00 0.00 C +ATOM 3 CA ILE A 3 271.870 283.756 250.283 1.00 0.00 C +ATOM 4 CA ASP A 4 269.009 282.271 252.315 1.00 0.00 C +ATOM 5 CA ARG A 5 267.322 278.979 253.227 1.00 0.00 C +ATOM 6 CA THR A 6 267.844 275.635 251.478 1.00 0.00 C +ATOM 7 CA GLN A 7 268.522 272.070 252.639 1.00 0.00 C +ATOM 8 CA PRO A 8 269.640 268.705 251.244 1.00 0.00 C +ATOM 9 CA THR A 9 267.419 266.395 249.183 1.00 0.00 C +ATOM 10 CA ALA A 10 266.444 262.794 248.413 1.00 0.00 C +ATOM 11 CA ALA A 11 267.377 260.523 251.327 1.00 0.00 C +ATOM 12 CA SER A 12 266.003 261.628 254.704 1.00 0.00 C +ATOM 13 CA ALA A 13 262.197 261.804 254.683 1.00 0.00 C +ATOM 14 CA VAL A 14 260.881 260.493 258.010 1.00 0.00 C +ATOM 15 CA GLN A 15 259.605 258.733 261.139 1.00 0.00 C +ATOM 16 CA LEU A 16 257.527 259.458 264.249 1.00 0.00 C +ATOM 17 CA THR A 17 256.493 256.233 265.994 1.00 0.00 C +ATOM 18 CA HIS A 18 254.188 253.527 264.621 1.00 0.00 C +ATOM 19 CA THR A 19 253.760 249.780 265.158 1.00 0.00 C +ATOM 20 CA HIS A 20 252.555 246.170 265.334 1.00 0.00 C +ATOM 21 CA THR A 21 255.214 243.462 265.668 1.00 0.00 C +ATOM 22 CA HIS A 22 258.792 243.157 266.940 1.00 0.00 C +ATOM 23 CA THR A 23 261.961 241.089 267.394 1.00 0.00 C +ATOM 24 CA HIS A 24 261.837 237.489 266.155 1.00 0.00 C +ATOM 25 CA THR A 25 260.506 236.825 262.647 1.00 0.00 C +ATOM 26 CA HIS A 26 260.937 233.676 260.545 1.00 0.00 C +ATOM 27 CA ALA A 27 258.558 231.642 258.373 1.00 0.00 C +ATOM 28 CA CYS A 28 255.134 232.040 256.749 1.00 0.00 C +ATOM 29 CA THR A 29 252.261 232.142 259.250 1.00 0.00 C +ATOM 30 CA ARG A 30 249.791 235.022 259.601 1.00 0.00 C +ATOM 31 CA SER A 31 248.013 238.116 260.935 1.00 0.00 C +ATOM 32 CA ARG A 32 245.566 239.782 258.536 1.00 0.00 C +ATOM 33 CA GLU A 33 243.559 239.112 255.368 1.00 0.00 C +ATOM 34 CA PRO A 34 244.396 240.331 251.857 1.00 0.00 C +ATOM 35 CA THR A 35 241.964 238.986 249.252 1.00 0.00 C +ATOM 36 CA ASN A 36 244.024 238.777 246.054 1.00 0.00 C +ATOM 37 CA PRO A 37 245.362 235.274 245.381 1.00 0.00 C +ATOM 38 CA ARG A 38 243.916 232.524 243.176 1.00 0.00 C +ATOM 39 CA TYR A 39 244.413 228.933 242.003 1.00 0.00 C +ATOM 40 CA GLY A 40 242.251 227.270 239.343 1.00 0.00 C +ATOM 41 CA THR A 41 238.737 228.501 238.534 1.00 0.00 C +ATOM 42 CA ARG A 42 236.003 229.798 236.219 1.00 0.00 C +ATOM 43 CA ALA A 43 234.285 230.294 232.854 1.00 0.00 C +ATOM 44 CA VAL A 44 235.692 233.404 231.162 1.00 0.00 C +ATOM 45 CA HIS A 45 236.832 236.565 232.958 1.00 0.00 C +ATOM 46 CA PRO A 46 238.672 239.814 233.712 1.00 0.00 C +ATOM 47 CA HIS A 47 237.489 242.803 235.757 1.00 0.00 C +ATOM 48 CA PRO A 48 235.384 245.966 235.468 1.00 0.00 C +ATOM 49 CA HIS A 49 233.184 248.074 237.755 1.00 0.00 C +ATOM 50 CA PRO A 50 229.655 247.540 239.087 1.00 0.00 C +ATOM 51 CA HIS A 51 226.710 249.903 239.595 1.00 0.00 C +ATOM 52 CA PRO A 52 227.372 253.067 237.579 1.00 0.00 C +ATOM 53 CA HIS A 53 230.603 254.727 238.729 1.00 0.00 C +ATOM 54 CA GLY A 54 233.315 254.037 241.314 1.00 0.00 C +ATOM 55 CA LEU A 55 232.196 254.539 244.922 1.00 0.00 C +ATOM 56 CA PHE A 56 232.716 258.222 245.745 1.00 0.00 C +ATOM 57 CA SER A 57 235.742 260.041 244.312 1.00 0.00 C +ATOM 58 CA GLU A 58 236.091 261.360 240.755 1.00 0.00 C +ATOM 59 CA HIS A 59 235.633 259.083 237.735 1.00 0.00 C +TER 60 HIS A 59 +END diff --git a/Fungi/A0A9N8J824/A0A9N8J824.dcd b/Fungi/A0A9N8J824/A0A9N8J824.dcd new file mode 100644 index 0000000000000000000000000000000000000000..93b4b1880ae76cbe810f98404e693c3de57db56d --- /dev/null +++ b/Fungi/A0A9N8J824/A0A9N8J824.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5104805671c05b839f8b39aad7400620c6086a6ad2f4c4d26a6dc8f8be61bdb6 +size 13040276 diff --git a/Fungi/A0A9N8J824/top.pdb b/Fungi/A0A9N8J824/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1ea3656a978ca05832002d781653d45d5329e776 --- /dev/null +++ b/Fungi/A0A9N8J824/top.pdb @@ -0,0 +1,106 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 277.356 267.255 278.957 1.00 0.00 C +ATOM 2 CA ALA A 2 277.557 263.558 278.060 1.00 0.00 C +ATOM 3 CA LEU A 3 274.067 262.057 278.358 1.00 0.00 C +ATOM 4 CA TRP A 4 272.678 258.514 278.183 1.00 0.00 C +ATOM 5 CA LYS A 5 269.757 257.749 275.859 1.00 0.00 C +ATOM 6 CA GLU A 6 267.774 258.887 272.812 1.00 0.00 C +ATOM 7 CA MET A 7 264.641 260.994 272.298 1.00 0.00 C +ATOM 8 CA LYS A 8 263.854 261.460 268.600 1.00 0.00 C +ATOM 9 CA GLU A 9 266.192 259.500 266.318 1.00 0.00 C +ATOM 10 CA ALA A 10 267.502 256.028 267.180 1.00 0.00 C +ATOM 11 CA GLN A 11 267.124 252.293 266.530 1.00 0.00 C +ATOM 12 CA THR A 12 263.375 251.628 266.661 1.00 0.00 C +ATOM 13 CA SER A 13 260.848 249.803 268.851 1.00 0.00 C +ATOM 14 CA ARG A 14 258.874 246.566 269.227 1.00 0.00 C +ATOM 15 CA VAL A 15 258.680 243.316 271.207 1.00 0.00 C +ATOM 16 CA ARG A 16 255.794 241.036 270.212 1.00 0.00 C +ATOM 17 CA GLN A 17 252.627 240.829 268.103 1.00 0.00 C +ATOM 18 CA GLY A 18 251.248 242.970 265.269 1.00 0.00 C +ATOM 19 CA PRO A 19 250.779 246.139 263.207 1.00 0.00 C +ATOM 20 CA GLY A 20 248.781 248.925 264.870 1.00 0.00 C +ATOM 21 CA PHE A 21 251.076 251.961 265.038 1.00 0.00 C +ATOM 22 CA GLY A 22 254.616 250.565 265.227 1.00 0.00 C +ATOM 23 CA SER A 23 257.768 251.002 263.131 1.00 0.00 C +ATOM 24 CA HIS A 24 258.157 254.306 261.275 1.00 0.00 C +ATOM 25 CA PHE A 25 260.629 255.341 258.567 1.00 0.00 C +ATOM 26 CA TRP A 26 264.020 256.478 259.881 1.00 0.00 C +ATOM 27 CA ASP A 27 266.842 259.005 260.294 1.00 0.00 C +ATOM 28 CA GLU A 28 267.710 262.651 260.977 1.00 0.00 C +ATOM 29 CA ILE A 29 267.002 266.018 259.339 1.00 0.00 C +ATOM 30 CA GLN A 30 266.926 269.333 261.215 1.00 0.00 C +ATOM 31 CA SER A 31 266.238 268.638 264.897 1.00 0.00 C +ATOM 32 CA GLN A 32 263.275 269.962 266.892 1.00 0.00 C +ATOM 33 CA VAL A 33 262.095 267.560 269.603 1.00 0.00 C +ATOM 34 CA GLY A 34 263.100 268.030 273.248 1.00 0.00 C +ATOM 35 CA ARG A 35 263.445 267.575 277.015 1.00 0.00 C +ATOM 36 CA LYS A 36 264.317 270.816 278.817 1.00 0.00 C +ATOM 37 CA LYS A 37 264.811 274.474 279.763 1.00 0.00 C +ATOM 38 CA VAL A 38 265.412 276.978 276.956 1.00 0.00 C +ATOM 39 CA GLU A 39 262.119 278.204 275.484 1.00 0.00 C +ATOM 40 CA SER A 40 258.571 278.248 274.097 1.00 0.00 C +ATOM 41 CA ASN A 41 254.860 277.418 273.858 1.00 0.00 C +ATOM 42 CA PRO A 42 254.559 273.823 275.083 1.00 0.00 C +ATOM 43 CA LEU A 43 253.523 270.194 274.560 1.00 0.00 C +ATOM 44 CA GLU A 44 251.245 268.086 272.350 1.00 0.00 C +ATOM 45 CA LYS A 45 251.448 268.385 268.557 1.00 0.00 C +ATOM 46 CA SER A 46 251.418 270.333 265.283 1.00 0.00 C +ATOM 47 CA ASP A 47 249.771 269.631 261.920 1.00 0.00 C +ATOM 48 CA PRO A 48 248.445 266.536 260.137 1.00 0.00 C +ATOM 49 CA ILE A 49 247.038 264.818 257.041 1.00 0.00 C +ATOM 50 CA ARG A 50 247.493 261.166 256.056 1.00 0.00 C +ATOM 51 CA THR A 51 245.626 257.847 255.925 1.00 0.00 C +ATOM 52 CA THR A 52 245.187 254.063 255.943 1.00 0.00 C +ATOM 53 CA GLN A 53 241.976 252.338 254.834 1.00 0.00 C +ATOM 54 CA ALA A 54 239.613 249.693 253.442 1.00 0.00 C +ATOM 55 CA GLN A 55 238.325 251.070 250.131 1.00 0.00 C +ATOM 56 CA GLN A 56 235.591 253.295 248.684 1.00 0.00 C +ATOM 57 CA PRO A 57 231.807 253.721 248.793 1.00 0.00 C +ATOM 58 CA THR A 58 228.313 254.635 247.578 1.00 0.00 C +ATOM 59 CA PRO A 59 225.155 255.590 245.673 1.00 0.00 C +ATOM 60 CA ASN A 60 225.868 254.581 242.069 1.00 0.00 C +ATOM 61 CA GLN A 61 224.555 257.410 239.880 1.00 0.00 C +ATOM 62 CA THR A 62 225.346 256.294 236.324 1.00 0.00 C +ATOM 63 CA ALA A 63 228.657 255.379 234.676 1.00 0.00 C +ATOM 64 CA GLN A 64 231.167 252.705 235.710 1.00 0.00 C +ATOM 65 CA GLU A 65 230.183 249.323 237.161 1.00 0.00 C +ATOM 66 CA ARG A 66 230.259 245.826 238.673 1.00 0.00 C +ATOM 67 CA ASN A 67 229.471 242.205 239.558 1.00 0.00 C +ATOM 68 CA THR A 68 227.623 239.478 237.644 1.00 0.00 C +ATOM 69 CA ARG A 69 230.235 237.110 236.201 1.00 0.00 C +ATOM 70 CA PRO A 70 228.701 233.624 236.091 1.00 0.00 C +ATOM 71 CA LYS A 71 230.651 230.469 235.220 1.00 0.00 C +ATOM 72 CA ALA A 72 234.398 230.635 235.891 1.00 0.00 C +ATOM 73 CA ASP A 73 238.133 230.411 236.607 1.00 0.00 C +ATOM 74 CA LEU A 74 239.905 231.812 233.540 1.00 0.00 C +ATOM 75 CA PRO A 75 241.332 231.021 230.097 1.00 0.00 C +ATOM 76 CA PRO A 76 243.725 228.182 229.243 1.00 0.00 C +ATOM 77 CA GLU A 77 246.496 228.180 226.628 1.00 0.00 C +ATOM 78 CA PRO A 78 249.029 225.339 226.463 1.00 0.00 C +ATOM 79 CA PRO A 79 251.738 225.744 223.814 1.00 0.00 C +ATOM 80 CA LYS A 80 252.898 223.799 220.751 1.00 0.00 C +ATOM 81 CA GLU A 81 254.308 220.760 218.935 1.00 0.00 C +ATOM 82 CA GLY A 82 254.153 220.023 215.201 1.00 0.00 C +ATOM 83 CA PHE A 83 255.900 222.920 213.449 1.00 0.00 C +ATOM 84 CA LEU A 84 259.441 224.273 213.064 1.00 0.00 C +ATOM 85 CA SER A 85 260.598 227.576 214.569 1.00 0.00 C +ATOM 86 CA HIS A 86 260.217 230.161 217.343 1.00 0.00 C +ATOM 87 CA PHE A 87 258.040 233.021 218.608 1.00 0.00 C +ATOM 88 CA MET A 88 255.269 231.769 220.904 1.00 0.00 C +ATOM 89 CA ASP A 89 255.010 232.767 224.571 1.00 0.00 C +ATOM 90 CA GLU A 90 251.637 234.279 225.494 1.00 0.00 C +ATOM 91 CA LEU A 91 249.623 237.257 226.756 1.00 0.00 C +ATOM 92 CA ARG A 92 246.530 236.556 228.869 1.00 0.00 C +ATOM 93 CA SER A 93 243.683 238.885 229.861 1.00 0.00 C +ATOM 94 CA GLN A 94 240.067 238.469 228.734 1.00 0.00 C +ATOM 95 CA SER A 95 238.090 241.724 228.643 1.00 0.00 C +ATOM 96 CA ARG A 96 236.510 243.568 225.707 1.00 0.00 C +ATOM 97 CA GLY A 97 233.605 245.630 227.061 1.00 0.00 C +ATOM 98 CA ARG A 98 230.577 245.198 224.790 1.00 0.00 C +ATOM 99 CA ASP A 99 228.750 241.912 225.408 1.00 0.00 C +ATOM 100 CA LYS A 100 228.417 238.134 225.040 1.00 0.00 C +ATOM 101 CA ASN A 101 229.730 234.622 224.366 1.00 0.00 C +ATOM 102 CA PRO A 102 230.446 231.673 222.062 1.00 0.00 C +TER 103 PRO A 102 +END diff --git a/Fungi/A0A9N8KLK3/A0A9N8KLK3.dcd b/Fungi/A0A9N8KLK3/A0A9N8KLK3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..00544bdf3dd5b3ad4efda619640f9752ab20f244 --- /dev/null +++ b/Fungi/A0A9N8KLK3/A0A9N8KLK3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:52559f42cdd945124d893e84c71f79a497fc6bb6f9bfce65ddf9d80c2d2f2232 +size 9200276 diff --git a/Fungi/A0A9N8KLK3/top.pdb b/Fungi/A0A9N8KLK3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..91eebb85d3cede26d6921e4e8b6748b288bbb1a4 --- /dev/null +++ b/Fungi/A0A9N8KLK3/top.pdb @@ -0,0 +1,74 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA SER A 1 259.299 235.856 255.820 1.00 0.00 C +ATOM 2 CA ARG A 2 261.037 232.613 254.831 1.00 0.00 C +ATOM 3 CA GLN A 3 264.361 233.100 253.032 1.00 0.00 C +ATOM 4 CA HIS A 4 267.402 231.308 251.597 1.00 0.00 C +ATOM 5 CA ALA A 5 268.372 231.887 247.959 1.00 0.00 C +ATOM 6 CA SER A 6 268.779 231.463 244.195 1.00 0.00 C +ATOM 7 CA HIS A 7 270.060 230.017 240.911 1.00 0.00 C +ATOM 8 CA VAL A 8 272.659 229.684 238.145 1.00 0.00 C +ATOM 9 CA HIS A 9 274.410 233.018 237.570 1.00 0.00 C +ATOM 10 CA SER A 10 275.986 234.954 240.449 1.00 0.00 C +ATOM 11 CA ARG A 11 277.014 238.606 240.099 1.00 0.00 C +ATOM 12 CA GLN A 12 275.557 242.069 240.735 1.00 0.00 C +ATOM 13 CA PRO A 13 275.093 243.891 237.421 1.00 0.00 C +ATOM 14 CA GLY A 14 272.460 246.643 237.521 1.00 0.00 C +ATOM 15 CA GLN A 15 269.873 249.109 238.841 1.00 0.00 C +ATOM 16 CA ALA A 16 268.270 250.961 241.760 1.00 0.00 C +ATOM 17 CA CYS A 17 268.491 253.584 244.514 1.00 0.00 C +ATOM 18 CA LEU A 18 270.811 253.366 247.528 1.00 0.00 C +ATOM 19 CA HIS A 19 272.733 255.810 249.730 1.00 0.00 C +ATOM 20 CA LEU A 20 273.051 259.354 248.370 1.00 0.00 C +ATOM 21 CA GLU A 21 271.921 262.345 250.441 1.00 0.00 C +ATOM 22 CA GLU A 22 269.202 261.799 253.054 1.00 0.00 C +ATOM 23 CA GLY A 23 266.625 261.104 255.773 1.00 0.00 C +ATOM 24 CA GLN A 24 266.559 257.548 257.140 1.00 0.00 C +ATOM 25 CA ARG A 25 265.651 255.468 260.200 1.00 0.00 C +ATOM 26 CA ARG A 26 262.084 256.204 261.319 1.00 0.00 C +ATOM 27 CA ARG A 27 258.893 255.170 263.126 1.00 0.00 C +ATOM 28 CA SER A 28 257.274 251.771 263.713 1.00 0.00 C +ATOM 29 CA HIS A 29 255.721 249.461 266.314 1.00 0.00 C +ATOM 30 CA LYS A 30 254.576 247.782 269.537 1.00 0.00 C +ATOM 31 CA VAL A 31 253.215 249.994 272.325 1.00 0.00 C +ATOM 32 CA ARG A 32 250.650 252.808 272.211 1.00 0.00 C +ATOM 33 CA THR A 33 249.164 253.978 268.903 1.00 0.00 C +ATOM 34 CA PRO A 34 246.875 254.731 265.953 1.00 0.00 C +ATOM 35 CA CYS A 35 246.300 252.147 263.213 1.00 0.00 C +ATOM 36 CA SER A 36 247.419 248.570 263.900 1.00 0.00 C +ATOM 37 CA LEU A 37 244.186 246.581 264.229 1.00 0.00 C +ATOM 38 CA LEU A 38 240.993 245.713 266.118 1.00 0.00 C +ATOM 39 CA ALA A 39 237.612 246.658 264.637 1.00 0.00 C +ATOM 40 CA ARG A 40 234.511 248.210 266.215 1.00 0.00 C +ATOM 41 CA ARG A 41 231.476 246.573 267.834 1.00 0.00 C +ATOM 42 CA GLN A 42 228.934 243.833 268.575 1.00 0.00 C +ATOM 43 CA VAL A 43 229.367 240.971 266.097 1.00 0.00 C +ATOM 44 CA LEU A 44 230.551 237.413 265.426 1.00 0.00 C +ATOM 45 CA GLU A 45 232.013 234.716 263.166 1.00 0.00 C +ATOM 46 CA THR A 46 233.653 236.288 260.107 1.00 0.00 C +ATOM 47 CA PRO A 47 231.692 237.711 257.167 1.00 0.00 C +ATOM 48 CA ARG A 48 231.599 239.438 253.772 1.00 0.00 C +ATOM 49 CA HIS A 49 229.581 239.554 250.542 1.00 0.00 C +ATOM 50 CA PRO A 50 229.729 242.981 248.885 1.00 0.00 C +ATOM 51 CA GLN A 51 230.477 244.377 245.420 1.00 0.00 C +ATOM 52 CA GLU A 52 232.704 246.137 242.878 1.00 0.00 C +ATOM 53 CA ALA A 53 234.802 248.600 240.866 1.00 0.00 C +ATOM 54 CA LEU A 54 237.859 247.305 238.996 1.00 0.00 C +ATOM 55 CA ARG A 55 239.100 250.058 236.673 1.00 0.00 C +ATOM 56 CA PRO A 56 240.167 253.253 234.893 1.00 0.00 C +ATOM 57 CA PRO A 57 243.323 255.222 234.072 1.00 0.00 C +ATOM 58 CA HIS A 58 244.970 257.938 236.177 1.00 0.00 C +ATOM 59 CA HIS A 59 243.497 260.755 238.276 1.00 0.00 C +ATOM 60 CA SER A 60 240.463 262.385 239.906 1.00 0.00 C +ATOM 61 CA ALA A 61 240.078 264.357 243.143 1.00 0.00 C +ATOM 62 CA GLU A 62 237.272 266.934 243.072 1.00 0.00 C +ATOM 63 CA GLY A 63 234.526 268.925 241.336 1.00 0.00 C +ATOM 64 CA PRO A 64 236.120 270.752 238.397 1.00 0.00 C +ATOM 65 CA GLN A 65 234.743 272.286 235.193 1.00 0.00 C +ATOM 66 CA GLY A 66 232.338 273.845 232.682 1.00 0.00 C +ATOM 67 CA SER A 67 229.044 272.919 231.007 1.00 0.00 C +ATOM 68 CA ARG A 68 225.947 272.815 228.790 1.00 0.00 C +ATOM 69 CA PRO A 69 225.664 269.191 227.649 1.00 0.00 C +ATOM 70 CA ILE A 70 223.161 267.136 229.656 1.00 0.00 C +TER 71 ILE A 70 +END diff --git a/Fungi/A0A9N8LGI5/A0A9N8LGI5.dcd b/Fungi/A0A9N8LGI5/A0A9N8LGI5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..1becde19ba228de7b560c64e266295faf7682ac8 --- /dev/null +++ b/Fungi/A0A9N8LGI5/A0A9N8LGI5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e50f25cdec2a20184d534dbc0560c569eded83bf4100fd5a5942625617605f13 +size 6800276 diff --git a/Fungi/A0A9N8LGI5/top.pdb b/Fungi/A0A9N8LGI5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1eefaa8d8c728fc0eba30bec87b3274019ccd44c --- /dev/null +++ b/Fungi/A0A9N8LGI5/top.pdb @@ -0,0 +1,54 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 272.895 279.784 255.440 1.00 0.00 C +ATOM 2 CA GLY A 2 273.853 276.750 253.343 1.00 0.00 C +ATOM 3 CA PRO A 3 276.412 274.546 255.106 1.00 0.00 C +ATOM 4 CA ARG A 4 279.396 272.780 253.527 1.00 0.00 C +ATOM 5 CA THR A 5 279.666 270.510 250.479 1.00 0.00 C +ATOM 6 CA PRO A 6 276.830 268.920 248.493 1.00 0.00 C +ATOM 7 CA SER A 7 276.656 265.205 247.667 1.00 0.00 C +ATOM 8 CA GLU A 8 273.690 263.682 249.513 1.00 0.00 C +ATOM 9 CA GLY A 9 271.899 260.800 247.780 1.00 0.00 C +ATOM 10 CA SER A 10 268.556 261.864 246.292 1.00 0.00 C +ATOM 11 CA HIS A 11 265.992 260.711 248.864 1.00 0.00 C +ATOM 12 CA PHE A 12 263.825 257.625 249.403 1.00 0.00 C +ATOM 13 CA GLY A 13 260.918 255.433 248.279 1.00 0.00 C +ATOM 14 CA LEU A 14 257.469 253.827 248.079 1.00 0.00 C +ATOM 15 CA GLN A 15 253.752 254.067 248.883 1.00 0.00 C +ATOM 16 CA ASN A 16 251.049 253.198 251.423 1.00 0.00 C +ATOM 17 CA GLY A 17 252.734 252.404 254.747 1.00 0.00 C +ATOM 18 CA ASP A 18 250.360 251.026 257.389 1.00 0.00 C +ATOM 19 CA ASP A 19 247.165 250.005 255.581 1.00 0.00 C +ATOM 20 CA GLY A 20 244.383 251.896 257.370 1.00 0.00 C +ATOM 21 CA GLN A 21 240.593 251.954 256.982 1.00 0.00 C +ATOM 22 CA TRP A 22 239.490 250.633 253.583 1.00 0.00 C +ATOM 23 CA ASP A 23 239.251 253.170 250.750 1.00 0.00 C +ATOM 24 CA ASP A 24 238.874 256.818 251.785 1.00 0.00 C +ATOM 25 CA GLU A 25 242.370 258.267 251.346 1.00 0.00 C +ATOM 26 CA PRO A 26 244.343 259.282 254.443 1.00 0.00 C +ATOM 27 CA ALA A 27 247.272 261.459 253.349 1.00 0.00 C +ATOM 28 CA PHE A 28 248.063 264.954 252.055 1.00 0.00 C +ATOM 29 CA LEU A 29 248.290 265.606 248.308 1.00 0.00 C +ATOM 30 CA SER A 30 247.901 262.262 246.522 1.00 0.00 C +ATOM 31 CA GLU A 31 245.892 259.576 244.716 1.00 0.00 C +ATOM 32 CA GLU A 32 247.496 256.124 244.540 1.00 0.00 C +ATOM 33 CA ASP A 33 246.299 252.680 245.646 1.00 0.00 C +ATOM 34 CA PRO A 34 247.084 248.971 245.275 1.00 0.00 C +ATOM 35 CA ALA A 35 244.777 247.209 247.743 1.00 0.00 C +ATOM 36 CA GLU A 36 243.543 244.134 245.861 1.00 0.00 C +ATOM 37 CA TYR A 37 243.806 240.453 246.810 1.00 0.00 C +ATOM 38 CA SER A 38 241.679 239.351 249.773 1.00 0.00 C +ATOM 39 CA ARG A 39 238.244 238.391 251.112 1.00 0.00 C +ATOM 40 CA ARG A 40 238.256 234.595 251.437 1.00 0.00 C +ATOM 41 CA LYS A 41 237.135 233.071 248.130 1.00 0.00 C +ATOM 42 CA SER A 42 235.569 229.612 248.451 1.00 0.00 C +ATOM 43 CA PRO A 43 235.207 226.075 249.819 1.00 0.00 C +ATOM 44 CA THR A 44 237.041 223.383 247.842 1.00 0.00 C +ATOM 45 CA PRO A 45 236.845 219.780 249.064 1.00 0.00 C +ATOM 46 CA ASN A 46 233.986 219.128 251.496 1.00 0.00 C +ATOM 47 CA GLN A 47 230.735 220.022 249.722 1.00 0.00 C +ATOM 48 CA ASP A 48 229.878 217.603 246.905 1.00 0.00 C +ATOM 49 CA SER A 49 227.917 214.749 245.316 1.00 0.00 C +ATOM 50 CA LEU A 50 224.660 215.655 243.561 1.00 0.00 C +TER 51 LEU A 50 +END diff --git a/Fungi/A0A9N8VG79/A0A9N8VG79.dcd b/Fungi/A0A9N8VG79/A0A9N8VG79.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a6b3352c10043fbd0842cebb267074d5d16e0dfa --- /dev/null +++ b/Fungi/A0A9N8VG79/A0A9N8VG79.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5b506ed9599fa9089d84a8ee2edbd5226230bdaf73305b63e6c3dcb2abdf8936 +size 38460276 diff --git a/Fungi/A0A9N8VG79/top.pdb b/Fungi/A0A9N8VG79/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..fb6775b6cf69f64ccba945655ff7f6097f587cf5 --- /dev/null +++ b/Fungi/A0A9N8VG79/top.pdb @@ -0,0 +1,211 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 312.652 229.781 251.653 1.00 0.00 C +ATOM 2 CA SER A 2 313.232 226.093 252.412 1.00 0.00 C +ATOM 3 CA SER A 3 314.190 222.428 252.820 1.00 0.00 C +ATOM 4 CA SER A 4 311.478 219.908 251.921 1.00 0.00 C +ATOM 5 CA GLU A 5 310.882 216.180 251.407 1.00 0.00 C +ATOM 6 CA GLU A 6 310.904 212.556 250.233 1.00 0.00 C +ATOM 7 CA ARG A 7 309.244 210.020 247.924 1.00 0.00 C +ATOM 8 CA LYS A 8 309.414 207.989 244.705 1.00 0.00 C +ATOM 9 CA ARG A 9 310.614 204.577 243.507 1.00 0.00 C +ATOM 10 CA LYS A 10 310.097 203.536 239.879 1.00 0.00 C +ATOM 11 CA LEU A 11 310.375 200.670 237.384 1.00 0.00 C +ATOM 12 CA GLU A 12 307.043 198.984 236.632 1.00 0.00 C +ATOM 13 CA GLU A 13 307.447 195.290 235.791 1.00 0.00 C +ATOM 14 CA LEU A 14 305.253 193.022 237.927 1.00 0.00 C +ATOM 15 CA ALA A 15 301.592 192.577 236.968 1.00 0.00 C +ATOM 16 CA GLU A 16 299.584 195.530 235.640 1.00 0.00 C +ATOM 17 CA LYS A 17 298.553 197.495 238.737 1.00 0.00 C +ATOM 18 CA ALA A 18 297.438 199.005 242.052 1.00 0.00 C +ATOM 19 CA ARG A 19 296.359 201.965 244.194 1.00 0.00 C +ATOM 20 CA ALA A 20 297.159 205.469 245.459 1.00 0.00 C +ATOM 21 CA LYS A 21 298.332 207.670 248.339 1.00 0.00 C +ATOM 22 CA ALA A 22 299.709 209.565 251.344 1.00 0.00 C +ATOM 23 CA LYS A 23 298.948 213.102 252.539 1.00 0.00 C +ATOM 24 CA VAL A 24 299.629 216.452 254.221 1.00 0.00 C +ATOM 25 CA ALA A 25 299.274 220.042 252.995 1.00 0.00 C +ATOM 26 CA GLU A 26 301.768 222.127 254.983 1.00 0.00 C +ATOM 27 CA LEU A 27 303.512 225.228 253.621 1.00 0.00 C +ATOM 28 CA GLU A 28 303.436 228.994 254.195 1.00 0.00 C +ATOM 29 CA GLU A 29 300.032 230.616 254.742 1.00 0.00 C +ATOM 30 CA GLN A 30 298.670 231.839 251.401 1.00 0.00 C +ATOM 31 CA GLU A 31 296.841 232.700 248.171 1.00 0.00 C +ATOM 32 CA GLU A 32 294.732 235.529 246.735 1.00 0.00 C +ATOM 33 CA ARG A 33 295.137 238.994 245.202 1.00 0.00 C +ATOM 34 CA LYS A 34 298.050 241.449 245.218 1.00 0.00 C +ATOM 35 CA GLU A 35 299.232 245.061 244.948 1.00 0.00 C +ATOM 36 CA SER A 36 296.479 247.670 245.300 1.00 0.00 C +ATOM 37 CA ALA A 37 292.990 248.000 243.803 1.00 0.00 C +ATOM 38 CA LYS A 38 289.498 248.902 245.030 1.00 0.00 C +ATOM 39 CA LYS A 39 286.008 248.076 246.314 1.00 0.00 C +ATOM 40 CA ALA A 40 283.362 250.341 247.859 1.00 0.00 C +ATOM 41 CA LYS A 41 279.966 251.633 249.005 1.00 0.00 C +ATOM 42 CA ALA A 42 277.622 252.092 251.973 1.00 0.00 C +ATOM 43 CA HIS A 43 277.289 254.338 255.032 1.00 0.00 C +ATOM 44 CA SER A 44 275.702 254.925 258.446 1.00 0.00 C +ATOM 45 CA ARG A 45 272.159 254.860 259.844 1.00 0.00 C +ATOM 46 CA SER A 46 268.504 255.869 259.473 1.00 0.00 C +ATOM 47 CA SER A 47 268.132 258.964 261.664 1.00 0.00 C +ATOM 48 CA PRO A 48 266.862 262.048 263.506 1.00 0.00 C +ATOM 49 CA LYS A 49 263.130 262.815 263.518 1.00 0.00 C +ATOM 50 CA ILE A 50 260.381 260.859 265.288 1.00 0.00 C +ATOM 51 CA LYS A 51 260.066 261.074 269.079 1.00 0.00 C +ATOM 52 CA LYS A 52 262.999 260.318 271.391 1.00 0.00 C +ATOM 53 CA THR A 53 266.064 262.502 271.984 1.00 0.00 C +ATOM 54 CA ASN A 54 269.577 263.136 273.315 1.00 0.00 C +ATOM 55 CA VAL A 55 270.026 261.504 276.728 1.00 0.00 C +ATOM 56 CA SER A 56 272.231 259.400 279.015 1.00 0.00 C +ATOM 57 CA SER A 57 275.757 260.837 278.896 1.00 0.00 C +ATOM 58 CA SER A 58 276.106 264.405 277.604 1.00 0.00 C +ATOM 59 CA SER A 59 273.195 266.852 277.840 1.00 0.00 C +ATOM 60 CA SER A 60 273.028 269.298 280.756 1.00 0.00 C +ATOM 61 CA SER A 61 276.381 269.459 282.557 1.00 0.00 C +ATOM 62 CA PRO A 62 279.531 269.098 284.669 1.00 0.00 C +ATOM 63 CA ALA A 63 280.980 271.249 287.461 1.00 0.00 C +ATOM 64 CA LYS A 64 281.894 274.877 288.182 1.00 0.00 C +ATOM 65 CA SER A 65 283.802 277.875 286.808 1.00 0.00 C +ATOM 66 CA LYS A 66 282.476 281.198 288.117 1.00 0.00 C +ATOM 67 CA SER A 67 283.761 281.607 291.681 1.00 0.00 C +ATOM 68 CA LEU A 68 283.693 281.443 295.487 1.00 0.00 C +ATOM 69 CA PRO A 69 281.093 282.913 297.852 1.00 0.00 C +ATOM 70 CA PRO A 70 281.610 284.195 301.402 1.00 0.00 C +ATOM 71 CA LEU A 71 278.988 286.817 302.275 1.00 0.00 C +ATOM 72 CA GLY A 72 276.539 286.688 299.359 1.00 0.00 C +ATOM 73 CA GLY A 73 277.339 287.500 295.724 1.00 0.00 C +ATOM 74 CA GLY A 74 278.263 288.121 292.080 1.00 0.00 C +ATOM 75 CA GLY A 75 275.268 288.851 289.840 1.00 0.00 C +ATOM 76 CA ARG A 76 273.979 286.576 287.069 1.00 0.00 C +ATOM 77 CA ALA A 77 276.253 283.843 285.698 1.00 0.00 C +ATOM 78 CA ALA A 78 275.025 282.146 282.515 1.00 0.00 C +ATOM 79 CA ARG A 79 274.660 279.281 280.031 1.00 0.00 C +ATOM 80 CA GLN A 80 274.318 275.563 279.269 1.00 0.00 C +ATOM 81 CA ASP A 81 271.791 275.154 276.447 1.00 0.00 C +ATOM 82 CA GLU A 82 270.585 271.855 274.971 1.00 0.00 C +ATOM 83 CA TYR A 83 267.493 270.879 272.971 1.00 0.00 C +ATOM 84 CA GLU A 84 266.377 271.450 269.373 1.00 0.00 C +ATOM 85 CA ASP A 85 262.796 272.750 269.290 1.00 0.00 C +ATOM 86 CA ASP A 86 262.988 276.382 270.425 1.00 0.00 C +ATOM 87 CA GLY A 87 261.855 279.989 270.899 1.00 0.00 C +ATOM 88 CA PHE A 88 258.149 280.595 270.255 1.00 0.00 C +ATOM 89 CA ILE A 89 255.167 281.922 268.289 1.00 0.00 C +ATOM 90 CA VAL A 90 254.516 284.977 266.108 1.00 0.00 C +ATOM 91 CA ASP A 91 251.099 286.587 265.612 1.00 0.00 C +ATOM 92 CA ASP A 92 248.511 284.234 264.101 1.00 0.00 C +ATOM 93 CA GLU A 93 244.739 284.769 264.083 1.00 0.00 C +ATOM 94 CA ASP A 94 242.823 282.282 261.925 1.00 0.00 C +ATOM 95 CA VAL A 95 239.070 281.915 261.379 1.00 0.00 C +ATOM 96 CA SER A 96 236.221 283.758 259.645 1.00 0.00 C +ATOM 97 CA VAL A 97 237.485 284.862 256.225 1.00 0.00 C +ATOM 98 CA SER A 98 237.137 284.288 252.474 1.00 0.00 C +ATOM 99 CA GLU A 99 235.129 286.574 250.181 1.00 0.00 C +ATOM 100 CA SER A 100 236.023 286.266 246.491 1.00 0.00 C +ATOM 101 CA LYS A 101 233.371 288.320 244.684 1.00 0.00 C +ATOM 102 CA SER A 102 232.267 291.169 242.408 1.00 0.00 C +ATOM 103 CA ASP A 103 233.813 291.446 238.937 1.00 0.00 C +ATOM 104 CA SER A 104 236.324 288.859 237.702 1.00 0.00 C +ATOM 105 CA GLU A 105 234.868 287.670 234.388 1.00 0.00 C +ATOM 106 CA ASP A 106 234.434 285.340 231.405 1.00 0.00 C +ATOM 107 CA PHE A 107 232.348 282.291 232.337 1.00 0.00 C +ATOM 108 CA ASP A 108 228.737 282.676 233.488 1.00 0.00 C +ATOM 109 CA VAL A 109 225.100 283.356 234.396 1.00 0.00 C +ATOM 110 CA ALA A 110 223.409 286.761 234.147 1.00 0.00 C +ATOM 111 CA ASP A 111 221.360 287.044 237.347 1.00 0.00 C +ATOM 112 CA ASP A 112 220.719 283.896 239.395 1.00 0.00 C +ATOM 113 CA PRO A 113 221.201 283.422 243.144 1.00 0.00 C +ATOM 114 CA ASP A 114 223.998 283.174 245.719 1.00 0.00 C +ATOM 115 CA SER A 115 224.420 280.403 248.300 1.00 0.00 C +ATOM 116 CA SER A 116 223.156 277.791 250.770 1.00 0.00 C +ATOM 117 CA ASP A 117 221.537 275.084 248.634 1.00 0.00 C +ATOM 118 CA PRO A 118 221.861 274.073 244.975 1.00 0.00 C +ATOM 119 CA GLY A 119 224.635 272.630 242.798 1.00 0.00 C +ATOM 120 CA SER A 120 223.786 272.266 239.102 1.00 0.00 C +ATOM 121 CA LYS A 121 222.922 275.605 237.482 1.00 0.00 C +ATOM 122 CA LYS A 122 226.086 277.670 236.998 1.00 0.00 C +ATOM 123 CA LYS A 123 228.812 275.704 238.794 1.00 0.00 C +ATOM 124 CA LYS A 124 231.805 275.654 241.151 1.00 0.00 C +ATOM 125 CA LYS A 125 235.200 274.586 239.793 1.00 0.00 C +ATOM 126 CA VAL A 126 237.589 273.086 242.354 1.00 0.00 C +ATOM 127 CA ALA A 127 238.059 272.241 246.039 1.00 0.00 C +ATOM 128 CA SER A 128 235.947 269.791 248.052 1.00 0.00 C +ATOM 129 CA SER A 129 233.146 270.617 250.499 1.00 0.00 C +ATOM 130 CA THR A 130 231.370 269.018 253.466 1.00 0.00 C +ATOM 131 CA LYS A 131 231.178 265.874 255.609 1.00 0.00 C +ATOM 132 CA HIS A 132 232.788 262.678 254.300 1.00 0.00 C +ATOM 133 CA LYS A 133 233.566 260.086 251.618 1.00 0.00 C +ATOM 134 CA GLN A 134 234.736 259.127 248.122 1.00 0.00 C +ATOM 135 CA SER A 135 233.864 257.970 244.598 1.00 0.00 C +ATOM 136 CA SER A 136 233.006 255.261 242.060 1.00 0.00 C +ATOM 137 CA ASN A 137 230.607 256.698 239.473 1.00 0.00 C +ATOM 138 CA SER A 138 227.259 255.085 240.317 1.00 0.00 C +ATOM 139 CA ASN A 139 224.483 255.935 242.784 1.00 0.00 C +ATOM 140 CA LYS A 140 222.363 258.601 241.078 1.00 0.00 C +ATOM 141 CA LYS A 141 220.151 259.162 238.026 1.00 0.00 C +ATOM 142 CA VAL A 142 221.046 256.938 235.064 1.00 0.00 C +ATOM 143 CA THR A 143 222.844 253.760 236.153 1.00 0.00 C +ATOM 144 CA LYS A 144 224.304 250.306 235.481 1.00 0.00 C +ATOM 145 CA ARG A 145 227.472 248.217 235.825 1.00 0.00 C +ATOM 146 CA LYS A 146 231.034 248.438 234.491 1.00 0.00 C +ATOM 147 CA LYS A 147 234.338 248.612 232.603 1.00 0.00 C +ATOM 148 CA ASP A 148 237.397 246.341 232.673 1.00 0.00 C +ATOM 149 CA GLU A 149 240.771 245.246 234.064 1.00 0.00 C +ATOM 150 CA ALA A 150 243.622 243.358 232.385 1.00 0.00 C +ATOM 151 CA SER A 151 243.900 239.639 233.164 1.00 0.00 C +ATOM 152 CA ASP A 152 245.743 236.373 232.492 1.00 0.00 C +ATOM 153 CA ASP A 153 245.998 232.704 233.487 1.00 0.00 C +ATOM 154 CA ASP A 154 247.737 229.315 233.382 1.00 0.00 C +ATOM 155 CA GLU A 155 247.646 225.567 234.059 1.00 0.00 C +ATOM 156 CA ILE A 156 250.836 223.929 232.770 1.00 0.00 C +ATOM 157 CA VAL A 157 252.817 220.682 232.550 1.00 0.00 C +ATOM 158 CA VAL A 158 255.463 220.771 235.290 1.00 0.00 C +ATOM 159 CA LYS A 159 254.456 222.332 238.616 1.00 0.00 C +ATOM 160 CA LYS A 160 253.321 225.961 238.365 1.00 0.00 C +ATOM 161 CA LYS A 161 251.583 227.997 241.076 1.00 0.00 C +ATOM 162 CA SER A 162 248.644 225.994 242.441 1.00 0.00 C +ATOM 163 CA ASN A 163 245.185 226.486 240.921 1.00 0.00 C +ATOM 164 CA LYS A 164 243.176 229.710 240.630 1.00 0.00 C +ATOM 165 CA LYS A 165 240.830 231.926 242.655 1.00 0.00 C +ATOM 166 CA LYS A 166 238.025 234.480 243.014 1.00 0.00 C +ATOM 167 CA LYS A 167 234.679 234.867 244.793 1.00 0.00 C +ATOM 168 CA ARG A 168 231.939 236.694 242.876 1.00 0.00 C +ATOM 169 CA ASN A 169 228.402 237.539 241.739 1.00 0.00 C +ATOM 170 CA ASP A 170 226.127 235.593 239.383 1.00 0.00 C +ATOM 171 CA ASP A 171 223.043 233.694 238.198 1.00 0.00 C +ATOM 172 CA ASP A 172 220.086 235.819 237.079 1.00 0.00 C +ATOM 173 CA SER A 173 216.811 237.506 238.052 1.00 0.00 C +ATOM 174 CA PHE A 174 216.476 241.277 238.477 1.00 0.00 C +ATOM 175 CA ASP A 175 218.247 243.411 241.089 1.00 0.00 C +ATOM 176 CA GLU A 176 217.900 247.125 240.311 1.00 0.00 C +ATOM 177 CA GLY A 177 214.483 248.808 240.405 1.00 0.00 C +ATOM 178 CA SER A 178 211.231 248.388 238.466 1.00 0.00 C +ATOM 179 CA ALA A 179 207.811 247.999 240.101 1.00 0.00 C +ATOM 180 CA ASP A 180 205.360 245.114 240.531 1.00 0.00 C +ATOM 181 CA GLY A 181 204.216 242.901 243.414 1.00 0.00 C +ATOM 182 CA ASP A 182 205.509 239.328 243.132 1.00 0.00 C +ATOM 183 CA ASP A 183 209.006 237.906 242.614 1.00 0.00 C +ATOM 184 CA SER A 184 209.479 237.849 238.834 1.00 0.00 C +ATOM 185 CA ASP A 185 210.596 236.329 235.524 1.00 0.00 C +ATOM 186 CA ASP A 186 209.352 233.450 233.360 1.00 0.00 C +ATOM 187 CA LEU A 187 208.482 229.786 232.782 1.00 0.00 C +ATOM 188 CA ARG A 188 207.756 228.198 229.396 1.00 0.00 C +ATOM 189 CA ARG A 189 205.175 226.807 226.961 1.00 0.00 C +ATOM 190 CA ARG A 190 201.777 225.572 225.761 1.00 0.00 C +ATOM 191 CA THR A 191 199.243 227.703 223.874 1.00 0.00 C +ATOM 192 CA ARG A 192 195.796 226.444 224.898 1.00 0.00 C +ATOM 193 CA GLY A 193 192.087 227.233 224.533 1.00 0.00 C +ATOM 194 CA LYS A 194 190.290 224.026 223.533 1.00 0.00 C +ATOM 195 CA ARG A 195 189.592 221.539 226.334 1.00 0.00 C +ATOM 196 CA ILE A 196 190.346 217.807 226.491 1.00 0.00 C +ATOM 197 CA ASP A 197 188.797 214.590 227.819 1.00 0.00 C +ATOM 198 CA PHE A 198 186.319 213.929 230.637 1.00 0.00 C +ATOM 199 CA THR A 199 184.296 211.213 232.382 1.00 0.00 C +ATOM 200 CA GLY A 200 180.586 211.694 231.662 1.00 0.00 C +ATOM 201 CA GLN A 201 176.910 210.723 231.913 1.00 0.00 C +ATOM 202 CA ASP A 202 174.892 213.953 232.002 1.00 0.00 C +ATOM 203 CA PRO A 203 172.252 216.411 233.230 1.00 0.00 C +ATOM 204 CA TYR A 204 168.752 216.858 234.667 1.00 0.00 C +ATOM 205 CA ASP A 205 165.479 215.196 233.646 1.00 0.00 C +ATOM 206 CA ASP A 206 162.403 214.773 231.439 1.00 0.00 C +ATOM 207 CA ASP A 207 159.794 216.802 229.544 1.00 0.00 C +TER 208 ASP A 207 +END diff --git a/Fungi/A0A9N8Z772/A0A9N8Z772.dcd b/Fungi/A0A9N8Z772/A0A9N8Z772.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b3c1bf99ec705b67a47a9324b3fedaab787b5a36 --- /dev/null +++ b/Fungi/A0A9N8Z772/A0A9N8Z772.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:194d00b62281fa492916ede118251a0762c0afbf2b18080f56a608282dffc88e +size 6800276 diff --git a/Fungi/A0A9N8Z772/top.pdb b/Fungi/A0A9N8Z772/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1d2cb36a926c37c2af75e4ed71c2f38ecb2bb824 --- /dev/null +++ b/Fungi/A0A9N8Z772/top.pdb @@ -0,0 +1,54 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 253.432 240.698 253.762 1.00 0.00 C +ATOM 2 CA GLY A 2 250.569 240.577 251.251 1.00 0.00 C +ATOM 3 CA LYS A 3 248.060 238.171 249.692 1.00 0.00 C +ATOM 4 CA ALA A 4 247.957 234.673 248.188 1.00 0.00 C +ATOM 5 CA GLU A 5 247.979 231.257 249.876 1.00 0.00 C +ATOM 6 CA GLN A 6 247.488 231.351 253.653 1.00 0.00 C +ATOM 7 CA ASN A 7 244.157 231.648 255.479 1.00 0.00 C +ATOM 8 CA PHE A 8 242.180 228.394 255.336 1.00 0.00 C +ATOM 9 CA LEU A 9 240.019 226.415 252.901 1.00 0.00 C +ATOM 10 CA ARG A 10 242.173 224.687 250.276 1.00 0.00 C +ATOM 11 CA VAL A 11 241.629 222.646 247.105 1.00 0.00 C +ATOM 12 CA ASP A 12 245.028 221.372 245.949 1.00 0.00 C +ATOM 13 CA LEU A 13 247.850 223.837 246.638 1.00 0.00 C +ATOM 14 CA LEU A 14 250.673 225.915 245.144 1.00 0.00 C +ATOM 15 CA GLY A 15 252.364 229.271 244.515 1.00 0.00 C +ATOM 16 CA GLY A 16 252.736 230.580 240.956 1.00 0.00 C +ATOM 17 CA GLU A 17 249.878 232.834 239.831 1.00 0.00 C +ATOM 18 CA GLN A 18 246.461 233.619 238.339 1.00 0.00 C +ATOM 19 CA LYS A 19 242.923 234.729 239.215 1.00 0.00 C +ATOM 20 CA ASN A 20 243.114 236.352 242.656 1.00 0.00 C +ATOM 21 CA ALA A 21 242.334 240.065 243.011 1.00 0.00 C +ATOM 22 CA ASP A 22 244.143 243.417 242.940 1.00 0.00 C +ATOM 23 CA GLU A 23 247.929 243.235 243.324 1.00 0.00 C +ATOM 24 CA ASN A 24 249.904 244.697 246.236 1.00 0.00 C +ATOM 25 CA LEU A 25 249.592 247.976 248.152 1.00 0.00 C +ATOM 26 CA ASN A 26 251.395 250.650 250.180 1.00 0.00 C +ATOM 27 CA GLU A 27 249.477 253.742 251.312 1.00 0.00 C +ATOM 28 CA GLN A 28 246.239 254.469 249.441 1.00 0.00 C +ATOM 29 CA SER A 29 247.014 257.153 246.851 1.00 0.00 C +ATOM 30 CA THR A 30 249.419 259.900 245.760 1.00 0.00 C +ATOM 31 CA ASP A 31 251.643 262.852 244.837 1.00 0.00 C +ATOM 32 CA HIS A 32 255.284 261.768 244.542 1.00 0.00 C +ATOM 33 CA LEU A 33 259.015 261.695 245.308 1.00 0.00 C +ATOM 34 CA SER A 34 260.717 262.429 248.637 1.00 0.00 C +ATOM 35 CA ASP A 35 259.221 262.534 252.140 1.00 0.00 C +ATOM 36 CA ALA A 36 255.504 261.989 252.776 1.00 0.00 C +ATOM 37 CA ALA A 37 253.304 264.899 251.676 1.00 0.00 C +ATOM 38 CA LYS A 38 250.654 267.389 252.814 1.00 0.00 C +ATOM 39 CA PRO A 39 248.944 270.540 254.103 1.00 0.00 C +ATOM 40 CA GLN A 40 249.681 271.400 257.741 1.00 0.00 C +ATOM 41 CA PRO A 41 246.946 273.117 259.762 1.00 0.00 C +ATOM 42 CA LYS A 42 246.528 276.662 258.429 1.00 0.00 C +ATOM 43 CA GLN A 43 249.373 277.976 256.262 1.00 0.00 C +ATOM 44 CA LYS A 44 252.235 276.662 254.117 1.00 0.00 C +ATOM 45 CA LYS A 45 254.688 274.485 252.177 1.00 0.00 C +ATOM 46 CA HIS A 46 257.240 271.674 252.499 1.00 0.00 C +ATOM 47 CA ARG A 47 257.801 271.082 256.221 1.00 0.00 C +ATOM 48 CA THR A 48 257.905 272.828 259.605 1.00 0.00 C +ATOM 49 CA THR A 49 257.959 272.382 263.389 1.00 0.00 C +ATOM 50 CA ASP A 50 261.241 271.308 264.997 1.00 0.00 C +TER 51 ASP A 50 +END diff --git a/Fungi/A0A9N9B707/A0A9N9B707.dcd b/Fungi/A0A9N9B707/A0A9N9B707.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8bd7fcab02bf8d1c814c54fc875f4ad8f1bdc0cf --- /dev/null +++ b/Fungi/A0A9N9B707/A0A9N9B707.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:840f63ebced200b75d52ac509a5adbd516b399d531ec2e5c3b1a09ab5b3c8f33 +size 6680276 diff --git a/Fungi/A0A9N9B707/top.pdb b/Fungi/A0A9N9B707/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..6ad7e497c4c6aa2eadb37eff20b23a20b7e2c377 --- /dev/null +++ b/Fungi/A0A9N9B707/top.pdb @@ -0,0 +1,53 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 247.341 250.147 267.402 1.00 0.00 C +ATOM 2 CA GLU A 2 243.547 250.170 267.752 1.00 0.00 C +ATOM 3 CA SER A 3 241.159 250.632 264.820 1.00 0.00 C +ATOM 4 CA GLU A 4 240.909 249.702 261.133 1.00 0.00 C +ATOM 5 CA GLU A 5 244.311 249.875 259.426 1.00 0.00 C +ATOM 6 CA GLU A 6 247.720 249.719 257.732 1.00 0.00 C +ATOM 7 CA SER A 7 250.179 252.242 259.182 1.00 0.00 C +ATOM 8 CA ASP A 8 250.838 254.896 261.836 1.00 0.00 C +ATOM 9 CA ALA A 9 253.706 256.856 263.400 1.00 0.00 C +ATOM 10 CA SER A 10 255.939 259.942 263.474 1.00 0.00 C +ATOM 11 CA THR A 11 259.602 260.200 264.487 1.00 0.00 C +ATOM 12 CA PHE A 12 261.907 259.349 261.575 1.00 0.00 C +ATOM 13 CA GLU A 13 260.028 257.639 258.735 1.00 0.00 C +ATOM 14 CA SER A 14 261.991 256.781 255.584 1.00 0.00 C +ATOM 15 CA GLU A 15 262.777 258.711 252.395 1.00 0.00 C +ATOM 16 CA ILE A 16 259.736 260.498 250.954 1.00 0.00 C +ATOM 17 CA ASP A 17 256.709 258.212 251.323 1.00 0.00 C +ATOM 18 CA SER A 18 253.383 258.070 253.175 1.00 0.00 C +ATOM 19 CA ASP A 19 250.875 260.138 251.188 1.00 0.00 C +ATOM 20 CA GLU A 20 250.608 259.865 247.398 1.00 0.00 C +ATOM 21 CA ASP A 21 252.182 259.112 244.011 1.00 0.00 C +ATOM 22 CA LEU A 22 250.937 258.615 240.444 1.00 0.00 C +ATOM 23 CA ILE A 23 250.434 258.506 236.669 1.00 0.00 C +ATOM 24 CA THR A 24 252.500 258.015 233.506 1.00 0.00 C +ATOM 25 CA GLN A 25 254.758 255.991 231.198 1.00 0.00 C +ATOM 26 CA ILE A 26 255.568 252.844 229.210 1.00 0.00 C +ATOM 27 CA ASN A 27 257.462 249.538 229.203 1.00 0.00 C +ATOM 28 CA LYS A 28 256.489 245.856 229.332 1.00 0.00 C +ATOM 29 CA GLN A 29 257.509 243.291 231.958 1.00 0.00 C +ATOM 30 CA LYS A 30 257.051 240.846 234.844 1.00 0.00 C +ATOM 31 CA GLY A 31 255.279 241.657 238.118 1.00 0.00 C +ATOM 32 CA GLU A 32 252.930 242.351 241.036 1.00 0.00 C +ATOM 33 CA LYS A 33 253.322 241.678 244.765 1.00 0.00 C +ATOM 34 CA MET A 34 250.651 241.069 247.413 1.00 0.00 C +ATOM 35 CA LYS A 35 247.583 243.288 246.985 1.00 0.00 C +ATOM 36 CA ASP A 36 244.482 245.070 248.298 1.00 0.00 C +ATOM 37 CA GLU A 37 243.618 247.973 245.987 1.00 0.00 C +ATOM 38 CA SER A 38 241.031 250.487 247.211 1.00 0.00 C +ATOM 39 CA ILE A 39 238.188 250.357 249.745 1.00 0.00 C +ATOM 40 CA ARG A 40 236.691 246.854 249.705 1.00 0.00 C +ATOM 41 CA LYS A 41 237.061 243.063 249.598 1.00 0.00 C +ATOM 42 CA THR A 42 239.354 240.220 248.516 1.00 0.00 C +ATOM 43 CA PRO A 43 242.618 239.657 250.398 1.00 0.00 C +ATOM 44 CA ASN A 44 246.000 237.913 250.202 1.00 0.00 C +ATOM 45 CA LEU A 45 247.745 236.793 253.398 1.00 0.00 C +ATOM 46 CA GLN A 46 248.323 238.827 256.568 1.00 0.00 C +ATOM 47 CA LYS A 47 245.948 241.800 256.759 1.00 0.00 C +ATOM 48 CA LYS A 48 242.160 241.525 256.467 1.00 0.00 C +ATOM 49 CA LYS A 49 238.862 243.161 255.484 1.00 0.00 C +TER 50 LYS A 49 +END diff --git a/Fungi/A0A9N9BKB5/A0A9N9BKB5.dcd b/Fungi/A0A9N9BKB5/A0A9N9BKB5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d70ac33e73292da32385148f3b2a8caa79842e0e --- /dev/null +++ b/Fungi/A0A9N9BKB5/A0A9N9BKB5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bfbfe3f539a2750277d0e0e857db8300a2c2bc3f7c0f24c90b55df999b54967a +size 41520276 diff --git a/Fungi/A0A9N9BKB5/top.pdb b/Fungi/A0A9N9BKB5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..29e76ea8a80c85c7b5c4de55abf04e4c5b285e94 --- /dev/null +++ b/Fungi/A0A9N9BKB5/top.pdb @@ -0,0 +1,228 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 159.787 255.282 166.172 1.00 0.00 C +ATOM 2 CA SER A 2 161.932 256.922 168.860 1.00 0.00 C +ATOM 3 CA TYR A 3 165.032 254.867 169.685 1.00 0.00 C +ATOM 4 CA ASN A 4 165.590 254.423 173.428 1.00 0.00 C +ATOM 5 CA ASP A 5 163.969 257.386 175.191 1.00 0.00 C +ATOM 6 CA LYS A 6 162.895 261.041 175.239 1.00 0.00 C +ATOM 7 CA LYS A 7 164.407 263.866 177.301 1.00 0.00 C +ATOM 8 CA LYS A 8 166.506 262.572 180.206 1.00 0.00 C +ATOM 9 CA LYS A 9 164.853 259.368 181.437 1.00 0.00 C +ATOM 10 CA LEU A 10 167.478 256.607 181.463 1.00 0.00 C +ATOM 11 CA GLU A 11 170.944 256.449 179.889 1.00 0.00 C +ATOM 12 CA GLU A 12 173.355 253.967 181.484 1.00 0.00 C +ATOM 13 CA LEU A 13 176.213 254.048 184.001 1.00 0.00 C +ATOM 14 CA ALA A 14 175.337 254.414 187.691 1.00 0.00 C +ATOM 15 CA ALA A 15 172.632 254.639 190.365 1.00 0.00 C +ATOM 16 CA LYS A 16 168.936 254.325 189.495 1.00 0.00 C +ATOM 17 CA ARG A 17 165.775 253.451 191.434 1.00 0.00 C +ATOM 18 CA ARG A 18 166.093 253.411 195.231 1.00 0.00 C +ATOM 19 CA ALA A 19 166.448 253.997 198.979 1.00 0.00 C +ATOM 20 CA LYS A 20 166.588 251.765 202.063 1.00 0.00 C +ATOM 21 CA ASP A 21 167.377 250.186 205.440 1.00 0.00 C +ATOM 22 CA SER A 22 167.454 246.578 206.660 1.00 0.00 C +ATOM 23 CA GLU A 23 168.537 243.041 205.744 1.00 0.00 C +ATOM 24 CA GLU A 24 171.347 242.011 203.386 1.00 0.00 C +ATOM 25 CA GLU A 25 173.776 241.620 200.476 1.00 0.00 C +ATOM 26 CA LYS A 26 177.056 240.358 201.947 1.00 0.00 C +ATOM 27 CA ARG A 27 178.905 239.562 205.182 1.00 0.00 C +ATOM 28 CA GLN A 28 181.227 240.454 208.067 1.00 0.00 C +ATOM 29 CA GLN A 29 179.947 243.360 210.173 1.00 0.00 C +ATOM 30 CA LYS A 30 181.210 244.930 213.407 1.00 0.00 C +ATOM 31 CA ASP A 31 181.327 245.526 217.168 1.00 0.00 C +ATOM 32 CA THR A 32 181.885 246.047 220.901 1.00 0.00 C +ATOM 33 CA LYS A 33 185.195 247.917 221.148 1.00 0.00 C +ATOM 34 CA SER A 34 187.955 249.594 219.126 1.00 0.00 C +ATOM 35 CA SER A 35 190.830 251.011 221.186 1.00 0.00 C +ATOM 36 CA ALA A 36 192.613 251.864 224.443 1.00 0.00 C +ATOM 37 CA GLY A 37 192.272 249.291 227.232 1.00 0.00 C +ATOM 38 CA PRO A 38 192.955 246.312 229.507 1.00 0.00 C +ATOM 39 CA ALA A 39 194.182 245.357 232.986 1.00 0.00 C +ATOM 40 CA GLY A 40 195.595 245.985 236.468 1.00 0.00 C +ATOM 41 CA SER A 41 198.674 248.154 235.891 1.00 0.00 C +ATOM 42 CA SER A 42 201.411 250.346 237.381 1.00 0.00 C +ATOM 43 CA LYS A 43 199.813 252.162 240.324 1.00 0.00 C +ATOM 44 CA GLU A 44 197.743 250.723 243.181 1.00 0.00 C +ATOM 45 CA LYS A 45 196.072 253.584 245.062 1.00 0.00 C +ATOM 46 CA GLY A 46 196.748 257.206 244.092 1.00 0.00 C +ATOM 47 CA SER A 47 197.878 259.399 246.995 1.00 0.00 C +ATOM 48 CA PRO A 48 199.836 262.380 248.337 1.00 0.00 C +ATOM 49 CA THR A 49 202.910 263.825 250.063 1.00 0.00 C +ATOM 50 CA ILE A 50 203.925 261.663 253.031 1.00 0.00 C +ATOM 51 CA ARG A 51 201.456 258.795 253.472 1.00 0.00 C +ATOM 52 CA SER A 52 200.739 257.318 256.909 1.00 0.00 C +ATOM 53 CA SER A 53 201.859 253.777 257.760 1.00 0.00 C +ATOM 54 CA PRO A 54 205.533 252.769 257.773 1.00 0.00 C +ATOM 55 CA VAL A 55 209.319 252.474 257.467 1.00 0.00 C +ATOM 56 CA ARG A 56 212.515 251.520 259.309 1.00 0.00 C +ATOM 57 CA ASN A 57 215.484 252.082 256.989 1.00 0.00 C +ATOM 58 CA LYS A 58 218.207 249.417 257.044 1.00 0.00 C +ATOM 59 CA SER A 59 219.021 245.758 257.722 1.00 0.00 C +ATOM 60 CA SER A 60 221.341 242.847 258.535 1.00 0.00 C +ATOM 61 CA SER A 61 220.326 239.549 260.150 1.00 0.00 C +ATOM 62 CA PRO A 62 223.255 237.507 261.480 1.00 0.00 C +ATOM 63 CA LEU A 63 226.432 239.563 261.924 1.00 0.00 C +ATOM 64 CA ARG A 64 228.629 240.593 264.862 1.00 0.00 C +ATOM 65 CA SER A 65 228.289 242.157 268.320 1.00 0.00 C +ATOM 66 CA LYS A 66 231.161 243.840 270.173 1.00 0.00 C +ATOM 67 CA SER A 67 232.469 241.774 273.095 1.00 0.00 C +ATOM 68 CA GLY A 68 230.656 240.651 276.252 1.00 0.00 C +ATOM 69 CA ARG A 69 228.484 237.600 276.950 1.00 0.00 C +ATOM 70 CA ALA A 70 228.784 233.858 276.299 1.00 0.00 C +ATOM 71 CA VAL A 71 230.091 232.073 279.401 1.00 0.00 C +ATOM 72 CA THR A 72 232.487 234.365 281.277 1.00 0.00 C +ATOM 73 CA ARG A 73 232.390 237.480 283.467 1.00 0.00 C +ATOM 74 CA ASP A 74 230.082 240.372 282.558 1.00 0.00 C +ATOM 75 CA LYS A 75 227.988 242.985 284.377 1.00 0.00 C +ATOM 76 CA TYR A 76 226.580 243.264 287.906 1.00 0.00 C +ATOM 77 CA VAL A 77 229.231 242.366 290.491 1.00 0.00 C +ATOM 78 CA ASN A 78 232.948 242.544 291.306 1.00 0.00 C +ATOM 79 CA ASP A 79 235.874 240.125 290.982 1.00 0.00 C +ATOM 80 CA GLY A 80 238.891 237.836 290.565 1.00 0.00 C +ATOM 81 CA PHE A 81 240.202 235.414 287.932 1.00 0.00 C +ATOM 82 CA ILE A 82 241.109 236.856 284.524 1.00 0.00 C +ATOM 83 CA ASP A 83 239.279 237.208 281.200 1.00 0.00 C +ATOM 84 CA ASP A 84 240.936 235.115 278.482 1.00 0.00 C +ATOM 85 CA ASP A 85 241.253 233.077 275.279 1.00 0.00 C +ATOM 86 CA GLU A 86 239.858 229.569 275.794 1.00 0.00 C +ATOM 87 CA GLU A 87 239.588 225.828 276.464 1.00 0.00 C +ATOM 88 CA GLU A 88 238.570 222.347 275.297 1.00 0.00 C +ATOM 89 CA GLU A 89 239.290 219.083 277.126 1.00 0.00 C +ATOM 90 CA GLU A 90 242.507 217.864 278.763 1.00 0.00 C +ATOM 91 CA LEU A 91 245.332 218.547 276.299 1.00 0.00 C +ATOM 92 CA ASP A 92 248.408 219.133 274.129 1.00 0.00 C +ATOM 93 CA SER A 93 250.984 216.656 272.808 1.00 0.00 C +ATOM 94 CA GLU A 94 251.699 216.202 269.093 1.00 0.00 C +ATOM 95 CA SER A 95 251.545 218.463 266.030 1.00 0.00 C +ATOM 96 CA GLN A 96 252.096 218.055 262.282 1.00 0.00 C +ATOM 97 CA ALA A 97 253.582 217.601 258.804 1.00 0.00 C +ATOM 98 CA SER A 98 256.755 219.707 258.676 1.00 0.00 C +ATOM 99 CA SER A 99 258.654 222.719 257.321 1.00 0.00 C +ATOM 100 CA GLY A 100 258.310 223.579 253.626 1.00 0.00 C +ATOM 101 CA GLU A 101 259.418 226.164 251.055 1.00 0.00 C +ATOM 102 CA LYS A 102 259.360 225.773 247.266 1.00 0.00 C +ATOM 103 CA PHE A 103 260.771 222.899 245.200 1.00 0.00 C +ATOM 104 CA SER A 104 264.114 221.900 246.730 1.00 0.00 C +ATOM 105 CA VAL A 105 264.764 221.355 250.444 1.00 0.00 C +ATOM 106 CA SER A 106 267.810 219.091 250.785 1.00 0.00 C +ATOM 107 CA ASP A 107 270.391 216.755 252.332 1.00 0.00 C +ATOM 108 CA GLU A 108 272.438 214.239 254.331 1.00 0.00 C +ATOM 109 CA ILE A 109 272.470 213.012 257.938 1.00 0.00 C +ATOM 110 CA SER A 110 275.333 210.815 259.159 1.00 0.00 C +ATOM 111 CA GLU A 111 276.598 207.228 259.388 1.00 0.00 C +ATOM 112 CA SER A 112 279.795 205.409 258.396 1.00 0.00 C +ATOM 113 CA ASP A 113 282.156 207.686 256.457 1.00 0.00 C +ATOM 114 CA TYR A 114 284.917 209.282 258.542 1.00 0.00 C +ATOM 115 CA SER A 115 285.179 209.299 262.343 1.00 0.00 C +ATOM 116 CA ASP A 116 284.304 211.661 265.201 1.00 0.00 C +ATOM 117 CA GLY A 117 280.803 212.953 265.969 1.00 0.00 C +ATOM 118 CA VAL A 118 281.369 216.084 268.066 1.00 0.00 C +ATOM 119 CA GLY A 119 279.636 216.171 271.458 1.00 0.00 C +ATOM 120 CA SER A 120 275.974 215.231 271.929 1.00 0.00 C +ATOM 121 CA SER A 121 274.257 216.193 268.667 1.00 0.00 C +ATOM 122 CA LYS A 122 271.781 219.071 268.993 1.00 0.00 C +ATOM 123 CA ARG A 123 273.775 222.315 268.887 1.00 0.00 C +ATOM 124 CA LYS A 124 271.763 225.515 268.405 1.00 0.00 C +ATOM 125 CA ASN A 125 272.009 229.179 269.419 1.00 0.00 C +ATOM 126 CA LYS A 126 269.160 231.400 270.632 1.00 0.00 C +ATOM 127 CA LYS A 127 270.189 235.066 270.766 1.00 0.00 C +ATOM 128 CA VAL A 128 272.316 238.102 269.889 1.00 0.00 C +ATOM 129 CA THR A 129 275.545 238.093 271.912 1.00 0.00 C +ATOM 130 CA PRO A 130 278.652 240.282 271.653 1.00 0.00 C +ATOM 131 CA SER A 131 281.718 241.623 273.475 1.00 0.00 C +ATOM 132 CA SER A 132 285.417 241.866 274.352 1.00 0.00 C +ATOM 133 CA LYS A 133 288.474 243.710 275.683 1.00 0.00 C +ATOM 134 CA LYS A 134 287.685 244.316 279.361 1.00 0.00 C +ATOM 135 CA SER A 135 284.498 246.176 280.310 1.00 0.00 C +ATOM 136 CA LYS A 136 281.460 248.412 280.847 1.00 0.00 C +ATOM 137 CA GLY A 137 278.915 248.046 278.036 1.00 0.00 C +ATOM 138 CA SER A 138 278.387 250.126 274.888 1.00 0.00 C +ATOM 139 CA ASN A 139 279.472 253.776 274.776 1.00 0.00 C +ATOM 140 CA ASN A 140 278.533 255.934 277.773 1.00 0.00 C +ATOM 141 CA LYS A 141 280.172 254.407 280.855 1.00 0.00 C +ATOM 142 CA LYS A 142 282.789 255.965 283.144 1.00 0.00 C +ATOM 143 CA LYS A 143 281.831 255.908 286.831 1.00 0.00 C +ATOM 144 CA THR A 144 279.881 252.662 287.246 1.00 0.00 C +ATOM 145 CA THR A 145 276.136 253.055 287.830 1.00 0.00 C +ATOM 146 CA LYS A 146 273.060 251.105 286.713 1.00 0.00 C +ATOM 147 CA ARG A 147 273.707 247.624 285.306 1.00 0.00 C +ATOM 148 CA LYS A 148 276.307 244.873 284.876 1.00 0.00 C +ATOM 149 CA LYS A 149 274.551 241.712 286.076 1.00 0.00 C +ATOM 150 CA ILE A 150 271.082 241.216 284.580 1.00 0.00 C +ATOM 151 CA GLU A 151 269.476 241.541 281.140 1.00 0.00 C +ATOM 152 CA SER A 152 268.240 244.745 279.490 1.00 0.00 C +ATOM 153 CA GLU A 153 269.623 246.527 276.419 1.00 0.00 C +ATOM 154 CA GLY A 154 269.610 249.723 274.346 1.00 0.00 C +ATOM 155 CA ASP A 155 267.634 252.886 275.125 1.00 0.00 C +ATOM 156 CA ASP A 156 269.008 255.927 276.963 1.00 0.00 C +ATOM 157 CA SER A 157 271.713 258.069 275.348 1.00 0.00 C +ATOM 158 CA SER A 158 273.532 257.372 272.073 1.00 0.00 C +ATOM 159 CA GLU A 159 273.698 253.570 271.886 1.00 0.00 C +ATOM 160 CA GLU A 160 274.783 252.740 268.329 1.00 0.00 C +ATOM 161 CA GLU A 161 275.498 255.478 265.778 1.00 0.00 C +ATOM 162 CA VAL A 162 277.552 258.571 266.635 1.00 0.00 C +ATOM 163 CA VAL A 163 279.579 261.796 266.583 1.00 0.00 C +ATOM 164 CA ARG A 164 279.837 264.028 269.660 1.00 0.00 C +ATOM 165 CA LYS A 165 281.674 267.154 270.830 1.00 0.00 C +ATOM 166 CA LYS A 166 283.562 270.297 269.796 1.00 0.00 C +ATOM 167 CA SER A 167 284.091 272.928 267.091 1.00 0.00 C +ATOM 168 CA SER A 168 284.667 275.563 264.400 1.00 0.00 C +ATOM 169 CA LYS A 169 283.915 279.261 263.878 1.00 0.00 C +ATOM 170 CA LYS A 170 286.536 280.387 261.352 1.00 0.00 C +ATOM 171 CA ASN A 171 290.331 280.063 261.238 1.00 0.00 C +ATOM 172 CA LYS A 172 292.896 280.326 264.043 1.00 0.00 C +ATOM 173 CA LYS A 173 293.600 281.485 267.603 1.00 0.00 C +ATOM 174 CA LYS A 174 294.408 284.450 269.856 1.00 0.00 C +ATOM 175 CA LYS A 175 294.746 287.393 267.460 1.00 0.00 C +ATOM 176 CA ARG A 176 291.710 289.098 265.914 1.00 0.00 C +ATOM 177 CA ASP A 177 292.028 291.966 263.425 1.00 0.00 C +ATOM 178 CA SER A 178 292.194 292.098 259.621 1.00 0.00 C +ATOM 179 CA GLY A 179 293.008 293.852 256.339 1.00 0.00 C +ATOM 180 CA GLY A 180 290.389 292.764 253.795 1.00 0.00 C +ATOM 181 CA SER A 181 287.349 291.116 255.393 1.00 0.00 C +ATOM 182 CA GLU A 182 287.748 287.364 254.865 1.00 0.00 C +ATOM 183 CA GLU A 183 289.481 284.475 253.085 1.00 0.00 C +ATOM 184 CA GLU A 184 290.188 282.898 249.689 1.00 0.00 C +ATOM 185 CA LEU A 185 293.611 283.964 248.399 1.00 0.00 C +ATOM 186 CA SER A 186 296.634 282.035 247.112 1.00 0.00 C +ATOM 187 CA ASP A 187 299.475 284.115 245.658 1.00 0.00 C +ATOM 188 CA ILE A 188 302.952 283.135 244.447 1.00 0.00 C +ATOM 189 CA ARG A 189 306.131 283.062 246.545 1.00 0.00 C +ATOM 190 CA LYS A 190 306.648 279.956 248.689 1.00 0.00 C +ATOM 191 CA ASP A 191 310.303 278.974 249.135 1.00 0.00 C +ATOM 192 CA GLU A 192 312.316 278.504 245.935 1.00 0.00 C +ATOM 193 CA LEU A 193 313.577 278.764 242.349 1.00 0.00 C +ATOM 194 CA GLU A 194 312.943 275.539 240.422 1.00 0.00 C +ATOM 195 CA ALA A 195 312.281 272.332 238.474 1.00 0.00 C +ATOM 196 CA LEU A 196 313.239 268.659 238.800 1.00 0.00 C +ATOM 197 CA ASP A 197 312.080 265.619 236.818 1.00 0.00 C +ATOM 198 CA THR A 198 313.341 265.615 233.223 1.00 0.00 C +ATOM 199 CA SER A 199 314.631 267.145 229.981 1.00 0.00 C +ATOM 200 CA GLN A 200 313.500 267.436 226.354 1.00 0.00 C +ATOM 201 CA ILE A 201 311.933 269.338 223.449 1.00 0.00 C +ATOM 202 CA ILE A 202 310.996 269.753 219.779 1.00 0.00 C +ATOM 203 CA LYS A 203 309.381 266.475 218.700 1.00 0.00 C +ATOM 204 CA GLY A 204 305.622 265.872 218.569 1.00 0.00 C +ATOM 205 CA ARG A 205 303.400 268.773 219.649 1.00 0.00 C +ATOM 206 CA ARG A 206 299.655 268.784 220.347 1.00 0.00 C +ATOM 207 CA THR A 207 296.970 266.747 222.124 1.00 0.00 C +ATOM 208 CA ARG A 208 294.193 266.906 224.728 1.00 0.00 C +ATOM 209 CA GLY A 209 291.726 265.670 227.355 1.00 0.00 C +ATOM 210 CA LYS A 210 292.713 264.050 230.659 1.00 0.00 C +ATOM 211 CA GLN A 211 290.351 264.937 233.513 1.00 0.00 C +ATOM 212 CA ILE A 212 288.191 268.068 233.745 1.00 0.00 C +ATOM 213 CA ASP A 213 284.566 268.609 232.707 1.00 0.00 C +ATOM 214 CA PHE A 214 281.564 270.659 233.849 1.00 0.00 C +ATOM 215 CA ARG A 215 281.830 271.895 237.443 1.00 0.00 C +ATOM 216 CA GLY A 216 282.241 272.689 241.146 1.00 0.00 C +ATOM 217 CA GLN A 217 282.199 270.458 244.235 1.00 0.00 C +ATOM 218 CA ASP A 218 283.016 269.146 247.717 1.00 0.00 C +ATOM 219 CA PRO A 219 286.606 268.731 248.924 1.00 0.00 C +ATOM 220 CA TYR A 220 290.314 268.172 249.601 1.00 0.00 C +ATOM 221 CA ASP A 221 292.960 265.454 249.955 1.00 0.00 C +ATOM 222 CA ASP A 222 294.218 262.920 252.507 1.00 0.00 C +ATOM 223 CA ASP A 223 297.338 260.760 252.849 1.00 0.00 C +ATOM 224 CA GLU A 224 297.033 258.104 250.134 1.00 0.00 C +TER 225 GLU A 224 +END diff --git a/Fungi/A0A9N9BP63/A0A9N9BP63.dcd b/Fungi/A0A9N9BP63/A0A9N9BP63.dcd new file mode 100644 index 0000000000000000000000000000000000000000..adcc84b613ae6ca77a361d2c21683aa83fd5eaa6 --- /dev/null +++ b/Fungi/A0A9N9BP63/A0A9N9BP63.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:482893d8acff18e6a0b5a15cc7ab53cacaf6505304b36005e79c0b78a29505c1 +size 14120276 diff --git a/Fungi/A0A9N9BP63/top.pdb b/Fungi/A0A9N9BP63/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e69fd2fd400a33b1552903db173226b54ebb9352 --- /dev/null +++ b/Fungi/A0A9N9BP63/top.pdb @@ -0,0 +1,115 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 245.944 238.526 194.792 1.00 0.00 C +ATOM 2 CA ASN A 2 247.025 239.984 198.142 1.00 0.00 C +ATOM 3 CA LYS A 3 249.324 241.116 200.961 1.00 0.00 C +ATOM 4 CA GLU A 4 253.026 242.015 200.896 1.00 0.00 C +ATOM 5 CA PRO A 5 255.695 242.373 198.200 1.00 0.00 C +ATOM 6 CA ASN A 6 258.859 244.199 199.280 1.00 0.00 C +ATOM 7 CA TYR A 7 262.313 243.776 200.832 1.00 0.00 C +ATOM 8 CA SER A 8 263.022 247.100 202.554 1.00 0.00 C +ATOM 9 CA GLN A 9 263.733 249.735 199.896 1.00 0.00 C +ATOM 10 CA GLN A 10 261.705 252.727 198.692 1.00 0.00 C +ATOM 11 CA THR A 11 258.995 255.376 198.297 1.00 0.00 C +ATOM 12 CA SER A 12 256.796 258.207 199.587 1.00 0.00 C +ATOM 13 CA SER A 13 259.164 260.834 201.004 1.00 0.00 C +ATOM 14 CA GLY A 14 261.814 259.245 203.234 1.00 0.00 C +ATOM 15 CA ASN A 15 260.301 258.070 206.527 1.00 0.00 C +ATOM 16 CA MET A 16 257.115 259.002 208.397 1.00 0.00 C +ATOM 17 CA ASN A 17 256.498 259.489 212.125 1.00 0.00 C +ATOM 18 CA LYS A 18 258.059 260.485 215.455 1.00 0.00 C +ATOM 19 CA GLU A 19 256.925 260.384 219.091 1.00 0.00 C +ATOM 20 CA PRO A 20 257.609 261.852 222.539 1.00 0.00 C +ATOM 21 CA LYS A 21 260.381 263.690 224.399 1.00 0.00 C +ATOM 22 CA TYR A 22 260.015 266.376 227.076 1.00 0.00 C +ATOM 23 CA SER A 23 261.436 266.799 230.586 1.00 0.00 C +ATOM 24 CA GLN A 24 263.851 263.915 231.195 1.00 0.00 C +ATOM 25 CA GLN A 25 265.749 262.101 228.434 1.00 0.00 C +ATOM 26 CA TYR A 26 269.442 262.328 229.345 1.00 0.00 C +ATOM 27 CA ILE A 27 272.423 260.033 228.744 1.00 0.00 C +ATOM 28 CA THR A 28 274.363 258.518 231.652 1.00 0.00 C +ATOM 29 CA SER A 29 274.221 256.829 235.064 1.00 0.00 C +ATOM 30 CA SER A 30 271.316 255.128 236.849 1.00 0.00 C +ATOM 31 CA GLY A 31 267.684 253.975 236.849 1.00 0.00 C +ATOM 32 CA ASN A 32 263.885 254.193 237.035 1.00 0.00 C +ATOM 33 CA MET A 33 262.712 256.864 234.585 1.00 0.00 C +ATOM 34 CA ASN A 34 259.749 258.973 233.451 1.00 0.00 C +ATOM 35 CA LYS A 35 257.482 260.662 236.006 1.00 0.00 C +ATOM 36 CA GLU A 36 259.410 263.350 237.895 1.00 0.00 C +ATOM 37 CA PRO A 37 257.252 265.552 240.134 1.00 0.00 C +ATOM 38 CA ASN A 38 256.705 264.619 243.787 1.00 0.00 C +ATOM 39 CA TYR A 39 255.140 261.330 244.903 1.00 0.00 C +ATOM 40 CA SER A 40 252.435 260.555 247.471 1.00 0.00 C +ATOM 41 CA GLN A 41 250.440 257.976 249.442 1.00 0.00 C +ATOM 42 CA GLN A 42 248.733 255.793 252.057 1.00 0.00 C +ATOM 43 CA ASN A 43 246.117 255.044 254.724 1.00 0.00 C +ATOM 44 CA ILE A 44 244.004 258.189 255.128 1.00 0.00 C +ATOM 45 CA SER A 45 242.596 260.950 252.912 1.00 0.00 C +ATOM 46 CA ALA A 46 242.601 264.174 254.941 1.00 0.00 C +ATOM 47 CA THR A 47 245.551 265.341 257.052 1.00 0.00 C +ATOM 48 CA ILE A 48 248.418 262.853 256.729 1.00 0.00 C +ATOM 49 CA SER A 49 249.847 260.540 259.399 1.00 0.00 C +ATOM 50 CA SER A 50 253.124 258.881 258.388 1.00 0.00 C +ATOM 51 CA GLY A 51 253.387 255.570 256.521 1.00 0.00 C +ATOM 52 CA ASN A 52 256.392 255.181 254.211 1.00 0.00 C +ATOM 53 CA MET A 53 257.487 254.923 250.571 1.00 0.00 C +ATOM 54 CA ASN A 54 258.244 252.134 248.087 1.00 0.00 C +ATOM 55 CA LYS A 55 256.770 250.492 244.981 1.00 0.00 C +ATOM 56 CA GLU A 56 256.374 250.506 241.192 1.00 0.00 C +ATOM 57 CA PRO A 57 254.033 248.932 238.631 1.00 0.00 C +ATOM 58 CA ASN A 58 250.249 249.335 238.802 1.00 0.00 C +ATOM 59 CA TYR A 59 247.207 250.053 240.982 1.00 0.00 C +ATOM 60 CA SER A 60 243.693 248.581 241.005 1.00 0.00 C +ATOM 61 CA GLN A 61 242.933 246.383 244.023 1.00 0.00 C +ATOM 62 CA GLN A 62 241.861 248.603 246.928 1.00 0.00 C +ATOM 63 CA ASN A 63 239.478 249.642 249.713 1.00 0.00 C +ATOM 64 CA ILE A 64 236.779 247.313 251.057 1.00 0.00 C +ATOM 65 CA SER A 65 236.476 244.062 253.019 1.00 0.00 C +ATOM 66 CA ALA A 66 236.278 240.448 251.829 1.00 0.00 C +ATOM 67 CA THR A 67 239.653 239.009 250.801 1.00 0.00 C +ATOM 68 CA ILE A 68 243.402 238.341 250.918 1.00 0.00 C +ATOM 69 CA SER A 69 247.007 237.985 252.100 1.00 0.00 C +ATOM 70 CA SER A 70 248.585 238.426 255.540 1.00 0.00 C +ATOM 71 CA GLY A 71 250.351 237.150 258.665 1.00 0.00 C +ATOM 72 CA ASN A 72 247.957 235.161 260.861 1.00 0.00 C +ATOM 73 CA MET A 73 244.536 234.274 262.286 1.00 0.00 C +ATOM 74 CA ASN A 74 242.571 232.922 265.257 1.00 0.00 C +ATOM 75 CA LYS A 75 243.863 233.319 268.819 1.00 0.00 C +ATOM 76 CA GLU A 76 243.217 236.119 271.322 1.00 0.00 C +ATOM 77 CA PRO A 77 240.629 236.200 274.117 1.00 0.00 C +ATOM 78 CA ASN A 78 237.533 234.423 272.784 1.00 0.00 C +ATOM 79 CA TYR A 79 233.727 234.592 272.824 1.00 0.00 C +ATOM 80 CA SER A 80 231.740 231.502 273.833 1.00 0.00 C +ATOM 81 CA GLN A 81 230.287 228.298 275.295 1.00 0.00 C +ATOM 82 CA GLN A 82 231.033 226.700 278.672 1.00 0.00 C +ATOM 83 CA ASN A 83 232.529 229.129 281.197 1.00 0.00 C +ATOM 84 CA THR A 84 230.996 232.617 281.186 1.00 0.00 C +ATOM 85 CA SER A 85 231.302 236.352 280.496 1.00 0.00 C +ATOM 86 CA SER A 86 231.572 239.155 277.930 1.00 0.00 C +ATOM 87 CA ARG A 87 232.640 242.183 279.981 1.00 0.00 C +ATOM 88 CA ASN A 88 231.882 245.006 282.425 1.00 0.00 C +ATOM 89 CA THR A 89 232.371 246.093 286.044 1.00 0.00 C +ATOM 90 CA LEU A 90 234.058 244.486 289.059 1.00 0.00 C +ATOM 91 CA ILE A 91 237.796 245.093 289.475 1.00 0.00 C +ATOM 92 CA THR A 92 238.496 246.162 293.064 1.00 0.00 C +ATOM 93 CA THR A 93 238.230 249.110 295.463 1.00 0.00 C +ATOM 94 CA SER A 94 239.185 252.522 294.061 1.00 0.00 C +ATOM 95 CA LYS A 95 240.811 255.604 292.520 1.00 0.00 C +ATOM 96 CA ARG A 96 242.463 259.014 292.125 1.00 0.00 C +ATOM 97 CA ASN A 97 242.359 260.411 288.582 1.00 0.00 C +ATOM 98 CA ASN A 98 240.292 258.276 286.197 1.00 0.00 C +ATOM 99 CA ARG A 99 240.925 254.875 284.600 1.00 0.00 C +ATOM 100 CA THR A 100 241.160 252.934 281.330 1.00 0.00 C +ATOM 101 CA ARG A 101 243.084 252.188 278.128 1.00 0.00 C +ATOM 102 CA SER A 102 246.495 253.440 276.982 1.00 0.00 C +ATOM 103 CA SER A 103 250.001 251.996 276.604 1.00 0.00 C +ATOM 104 CA GLU A 104 251.187 248.731 275.040 1.00 0.00 C +ATOM 105 CA THR A 105 252.117 245.835 277.336 1.00 0.00 C +ATOM 106 CA LEU A 106 252.982 242.300 276.208 1.00 0.00 C +ATOM 107 CA GLU A 107 252.665 240.035 279.255 1.00 0.00 C +ATOM 108 CA ALA A 108 255.767 239.770 281.451 1.00 0.00 C +ATOM 109 CA LEU A 109 258.864 240.733 283.451 1.00 0.00 C +ATOM 110 CA GLU A 110 261.995 242.893 283.234 1.00 0.00 C +ATOM 111 CA ALA A 111 261.040 246.453 284.199 1.00 0.00 C +TER 112 ALA A 111 +END diff --git a/Fungi/A0A9N9F9Z6/A0A9N9F9Z6.dcd b/Fungi/A0A9N9F9Z6/A0A9N9F9Z6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..bd143cc560d42bd81a4d2a80553b34b5fe5ff576 --- /dev/null +++ b/Fungi/A0A9N9F9Z6/A0A9N9F9Z6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d5492a85a78e39cf1b635d9bd6f2c15f67ac845ccd30d3751ccf1a15a9a43161 +size 6200276 diff --git a/Fungi/A0A9N9F9Z6/top.pdb b/Fungi/A0A9N9F9Z6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..80b55fcc7050b4881a36a339e64dfbd8a14f6c58 --- /dev/null +++ b/Fungi/A0A9N9F9Z6/top.pdb @@ -0,0 +1,49 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LYS A 1 237.624 245.248 276.447 1.00 0.00 C +ATOM 2 CA GLN A 2 233.900 245.996 276.149 1.00 0.00 C +ATOM 3 CA PHE A 3 230.133 246.071 275.584 1.00 0.00 C +ATOM 4 CA TYR A 4 229.480 243.354 272.993 1.00 0.00 C +ATOM 5 CA HIS A 5 229.645 244.358 269.321 1.00 0.00 C +ATOM 6 CA THR A 6 233.228 245.469 268.657 1.00 0.00 C +ATOM 7 CA GLY A 7 233.229 246.874 265.116 1.00 0.00 C +ATOM 8 CA ARG A 8 234.017 248.012 261.566 1.00 0.00 C +ATOM 9 CA SER A 9 236.454 248.322 258.654 1.00 0.00 C +ATOM 10 CA HIS A 10 236.437 246.343 255.399 1.00 0.00 C +ATOM 11 CA SER A 11 234.780 248.686 252.892 1.00 0.00 C +ATOM 12 CA GLN A 12 234.317 249.050 249.128 1.00 0.00 C +ATOM 13 CA LEU A 13 235.789 252.096 247.375 1.00 0.00 C +ATOM 14 CA LYS A 14 238.554 254.688 247.765 1.00 0.00 C +ATOM 15 CA GLN A 15 241.924 253.579 246.378 1.00 0.00 C +ATOM 16 CA LEU A 16 244.039 252.859 249.464 1.00 0.00 C +ATOM 17 CA GLN A 17 243.294 250.408 252.285 1.00 0.00 C +ATOM 18 CA LYS A 18 245.641 247.570 253.260 1.00 0.00 C +ATOM 19 CA ILE A 19 246.955 244.349 251.707 1.00 0.00 C +ATOM 20 CA SER A 20 250.139 242.884 250.213 1.00 0.00 C +ATOM 21 CA GLY A 21 253.447 242.076 248.503 1.00 0.00 C +ATOM 22 CA ASP A 22 253.388 242.227 244.696 1.00 0.00 C +ATOM 23 CA GLY A 23 252.007 244.649 242.100 1.00 0.00 C +ATOM 24 CA ARG A 24 250.306 242.406 239.532 1.00 0.00 C +ATOM 25 CA GLY A 25 246.631 243.176 238.887 1.00 0.00 C +ATOM 26 CA GLN A 26 244.124 244.046 241.621 1.00 0.00 C +ATOM 27 CA ARG A 27 243.297 247.744 242.012 1.00 0.00 C +ATOM 28 CA LEU A 28 244.304 251.146 240.622 1.00 0.00 C +ATOM 29 CA GLY A 29 247.540 252.834 239.529 1.00 0.00 C +ATOM 30 CA GLY A 30 250.437 253.227 241.972 1.00 0.00 C +ATOM 31 CA GLY A 31 253.868 252.119 240.740 1.00 0.00 C +ATOM 32 CA SER A 32 257.363 250.895 241.638 1.00 0.00 C +ATOM 33 CA LEU A 33 258.218 248.745 244.665 1.00 0.00 C +ATOM 34 CA VAL A 34 261.448 246.842 245.339 1.00 0.00 C +ATOM 35 CA GLN A 35 264.762 247.570 247.073 1.00 0.00 C +ATOM 36 CA GLU A 36 267.451 250.263 246.887 1.00 0.00 C +ATOM 37 CA ALA A 37 271.173 250.899 246.378 1.00 0.00 C +ATOM 38 CA THR A 38 273.153 252.749 243.699 1.00 0.00 C +ATOM 39 CA ASP A 39 271.356 254.984 241.191 1.00 0.00 C +ATOM 40 CA GLY A 40 272.181 256.799 237.944 1.00 0.00 C +ATOM 41 CA GLY A 41 272.530 260.366 236.652 1.00 0.00 C +ATOM 42 CA VAL A 42 273.353 262.983 239.296 1.00 0.00 C +ATOM 43 CA ASN A 43 272.999 263.907 242.975 1.00 0.00 C +ATOM 44 CA PRO A 44 273.367 264.244 246.752 1.00 0.00 C +ATOM 45 CA TYR A 45 271.718 266.886 248.946 1.00 0.00 C +TER 46 TYR A 45 +END diff --git a/Fungi/A0A9N9GIF3/A0A9N9GIF3.dcd b/Fungi/A0A9N9GIF3/A0A9N9GIF3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..cf0a72f573409973fc741bf7469cd8c564881bf9 --- /dev/null +++ b/Fungi/A0A9N9GIF3/A0A9N9GIF3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f53b4eb91866f6d3ba82fcde4a8503c00b879af2660191600e72bf9a290c51ce +size 6680276 diff --git a/Fungi/A0A9N9GIF3/top.pdb b/Fungi/A0A9N9GIF3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..db88ff1e9437ffa309f6a187e654614a0c60b946 --- /dev/null +++ b/Fungi/A0A9N9GIF3/top.pdb @@ -0,0 +1,53 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 242.081 238.124 220.349 1.00 0.00 C +ATOM 2 CA SER A 2 244.595 239.841 218.057 1.00 0.00 C +ATOM 3 CA SER A 3 245.948 239.710 214.498 1.00 0.00 C +ATOM 4 CA ILE A 4 247.151 243.112 213.274 1.00 0.00 C +ATOM 5 CA THR A 5 247.358 245.743 216.022 1.00 0.00 C +ATOM 6 CA SER A 6 248.430 245.525 219.671 1.00 0.00 C +ATOM 7 CA ALA A 7 249.800 247.875 222.339 1.00 0.00 C +ATOM 8 CA ILE A 8 249.215 249.623 225.673 1.00 0.00 C +ATOM 9 CA PRO A 9 249.448 250.437 229.388 1.00 0.00 C +ATOM 10 CA VAL A 10 251.499 248.122 231.613 1.00 0.00 C +ATOM 11 CA ASP A 11 254.470 249.356 233.653 1.00 0.00 C +ATOM 12 CA LYS A 12 255.529 252.875 234.660 1.00 0.00 C +ATOM 13 CA ARG A 13 255.675 254.489 238.108 1.00 0.00 C +ATOM 14 CA GLY A 14 253.298 255.256 240.985 1.00 0.00 C +ATOM 15 CA GLY A 15 253.358 254.123 244.622 1.00 0.00 C +ATOM 16 CA PRO A 16 256.225 254.818 247.034 1.00 0.00 C +ATOM 17 CA TRP A 17 258.633 252.622 249.007 1.00 0.00 C +ATOM 18 CA ILE A 18 262.416 253.077 248.985 1.00 0.00 C +ATOM 19 CA ASP A 19 265.155 255.522 250.002 1.00 0.00 C +ATOM 20 CA PRO A 20 266.813 255.134 253.411 1.00 0.00 C +ATOM 21 CA PRO A 21 265.758 253.835 256.833 1.00 0.00 C +ATOM 22 CA TYR A 22 265.933 251.892 260.106 1.00 0.00 C +ATOM 23 CA THR A 23 269.070 250.110 261.330 1.00 0.00 C +ATOM 24 CA PRO A 24 268.934 246.322 260.945 1.00 0.00 C +ATOM 25 CA LYS A 25 269.655 242.584 260.775 1.00 0.00 C +ATOM 26 CA ARG A 26 267.808 240.806 257.958 1.00 0.00 C +ATOM 27 CA GLY A 27 264.002 240.918 258.105 1.00 0.00 C +ATOM 28 CA GLY A 28 262.245 244.109 259.220 1.00 0.00 C +ATOM 29 CA PRO A 29 258.621 244.094 260.396 1.00 0.00 C +ATOM 30 CA TRP A 30 255.958 241.698 259.098 1.00 0.00 C +ATOM 31 CA ILE A 31 253.936 240.496 262.094 1.00 0.00 C +ATOM 32 CA GLY A 32 250.574 242.290 262.090 1.00 0.00 C +ATOM 33 CA PRO A 33 248.460 245.089 263.575 1.00 0.00 C +ATOM 34 CA PRO A 34 247.010 248.611 263.475 1.00 0.00 C +ATOM 35 CA TYR A 35 247.024 252.023 261.778 1.00 0.00 C +ATOM 36 CA THR A 36 247.972 255.243 263.580 1.00 0.00 C +ATOM 37 CA PRO A 37 247.154 254.659 267.255 1.00 0.00 C +ATOM 38 CA LEU A 38 244.490 252.217 268.461 1.00 0.00 C +ATOM 39 CA PRO A 39 241.421 252.405 270.711 1.00 0.00 C +ATOM 40 CA ASP A 40 239.166 252.681 273.770 1.00 0.00 C +ATOM 41 CA SER A 41 235.635 252.525 272.348 1.00 0.00 C +ATOM 42 CA TYR A 42 233.528 253.495 269.325 1.00 0.00 C +ATOM 43 CA PRO A 43 232.798 253.302 265.591 1.00 0.00 C +ATOM 44 CA ILE A 44 231.137 254.679 262.451 1.00 0.00 C +ATOM 45 CA ALA A 45 229.322 257.489 260.628 1.00 0.00 C +ATOM 46 CA GLU A 46 229.232 256.450 256.964 1.00 0.00 C +ATOM 47 CA ARG A 47 230.099 258.818 254.107 1.00 0.00 C +ATOM 48 CA GLY A 48 227.337 261.096 252.804 1.00 0.00 C +ATOM 49 CA ALA A 49 228.621 264.683 252.873 1.00 0.00 C +TER 50 ALA A 49 +END diff --git a/Fungi/A0A9N9HZ71/A0A9N9HZ71.dcd b/Fungi/A0A9N9HZ71/A0A9N9HZ71.dcd new file mode 100644 index 0000000000000000000000000000000000000000..222d35dfd164ef4933daf91c9d6d45e7236e1048 --- /dev/null +++ b/Fungi/A0A9N9HZ71/A0A9N9HZ71.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:04f4047a195817d89ac451a31be10fe1232ba15539bebd4d070ceddc7ff22a8c +size 6440276 diff --git a/Fungi/A0A9N9HZ71/top.pdb b/Fungi/A0A9N9HZ71/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..bd7b4527fbc2c8b7e9e0efb40f0d7645469a543e --- /dev/null +++ b/Fungi/A0A9N9HZ71/top.pdb @@ -0,0 +1,51 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLU A 1 237.260 270.568 249.614 1.00 0.00 C +ATOM 2 CA ASN A 2 240.364 268.389 249.252 1.00 0.00 C +ATOM 3 CA GLU A 3 243.996 268.636 250.374 1.00 0.00 C +ATOM 4 CA GLY A 4 245.891 267.301 253.398 1.00 0.00 C +ATOM 5 CA SER A 5 248.043 269.580 255.564 1.00 0.00 C +ATOM 6 CA ALA A 6 247.336 273.253 254.835 1.00 0.00 C +ATOM 7 CA ARG A 7 249.988 275.883 254.085 1.00 0.00 C +ATOM 8 CA SER A 8 253.551 275.477 255.372 1.00 0.00 C +ATOM 9 CA VAL A 9 254.464 271.997 256.624 1.00 0.00 C +ATOM 10 CA ASP A 10 255.573 268.526 257.737 1.00 0.00 C +ATOM 11 CA THR A 11 255.133 267.719 261.434 1.00 0.00 C +ATOM 12 CA THR A 12 253.334 264.452 262.213 1.00 0.00 C +ATOM 13 CA GLU A 13 253.428 260.979 260.648 1.00 0.00 C +ATOM 14 CA ASN A 14 252.022 260.668 257.121 1.00 0.00 C +ATOM 15 CA TYR A 15 253.441 260.748 253.585 1.00 0.00 C +ATOM 16 CA PRO A 16 254.849 263.483 251.338 1.00 0.00 C +ATOM 17 CA LYS A 17 257.183 266.483 251.611 1.00 0.00 C +ATOM 18 CA LYS A 18 258.862 269.774 250.682 1.00 0.00 C +ATOM 19 CA GLN A 19 261.840 271.421 248.970 1.00 0.00 C +ATOM 20 CA GLN A 20 264.358 269.791 246.620 1.00 0.00 C +ATOM 21 CA LYS A 21 262.835 266.687 245.020 1.00 0.00 C +ATOM 22 CA LYS A 22 262.575 264.264 242.090 1.00 0.00 C +ATOM 23 CA GLN A 23 259.405 262.154 242.218 1.00 0.00 C +ATOM 24 CA ALA A 24 257.727 260.625 245.278 1.00 0.00 C +ATOM 25 CA LYS A 25 257.917 257.304 247.137 1.00 0.00 C +ATOM 26 CA TRP A 26 254.483 256.271 248.424 1.00 0.00 C +ATOM 27 CA THR A 27 252.142 253.440 247.415 1.00 0.00 C +ATOM 28 CA ARG A 28 253.229 250.082 245.980 1.00 0.00 C +ATOM 29 CA GLU A 29 255.834 247.601 247.235 1.00 0.00 C +ATOM 30 CA GLU A 30 256.712 244.914 249.789 1.00 0.00 C +ATOM 31 CA VAL A 31 254.903 244.991 253.141 1.00 0.00 C +ATOM 32 CA SER A 32 252.101 242.800 254.506 1.00 0.00 C +ATOM 33 CA THR A 33 250.814 239.869 252.440 1.00 0.00 C +ATOM 34 CA ILE A 34 250.823 236.140 251.657 1.00 0.00 C +ATOM 35 CA LYS A 35 248.802 234.669 248.781 1.00 0.00 C +ATOM 36 CA ASN A 36 246.350 233.235 246.242 1.00 0.00 C +ATOM 37 CA GLY A 37 242.601 232.582 246.414 1.00 0.00 C +ATOM 38 CA LYS A 38 240.996 229.127 246.351 1.00 0.00 C +ATOM 39 CA ARG A 39 243.452 226.378 245.390 1.00 0.00 C +ATOM 40 CA TYR A 40 243.571 222.840 243.982 1.00 0.00 C +ATOM 41 CA ARG A 41 242.203 219.285 243.873 1.00 0.00 C +ATOM 42 CA ASN A 42 240.212 216.445 245.449 1.00 0.00 C +ATOM 43 CA SER A 43 236.662 215.324 244.636 1.00 0.00 C +ATOM 44 CA GLU A 44 236.087 211.565 244.403 1.00 0.00 C +ATOM 45 CA ASP A 45 234.856 208.508 246.314 1.00 0.00 C +ATOM 46 CA PRO A 46 234.488 204.716 246.396 1.00 0.00 C +ATOM 47 CA LEU A 47 237.299 203.056 248.361 1.00 0.00 C +TER 48 LEU A 47 +END diff --git a/Fungi/A0A9N9HZF3/A0A9N9HZF3.dcd b/Fungi/A0A9N9HZF3/A0A9N9HZF3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..5b2828a515ca6f930cf37c2cec6aab245f6e131f --- /dev/null +++ b/Fungi/A0A9N9HZF3/A0A9N9HZF3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f9e37ff4f625c9300cc9d07c7ef567b55ae3eb9d90f7372ed9239a6e08f009e3 +size 9440276 diff --git a/Fungi/A0A9N9HZF3/top.pdb b/Fungi/A0A9N9HZF3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e7dd27cbd2b13571ce82b6085ee3a39153e500c5 --- /dev/null +++ b/Fungi/A0A9N9HZF3/top.pdb @@ -0,0 +1,76 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLN A 1 231.879 221.807 262.724 1.00 0.00 C +ATOM 2 CA ILE A 2 233.201 223.613 265.807 1.00 0.00 C +ATOM 3 CA MET A 3 231.641 224.259 269.223 1.00 0.00 C +ATOM 4 CA GLU A 4 229.314 227.219 268.640 1.00 0.00 C +ATOM 5 CA GLU A 5 226.735 227.608 265.863 1.00 0.00 C +ATOM 6 CA GLU A 6 223.464 227.850 263.923 1.00 0.00 C +ATOM 7 CA MET A 7 222.561 228.871 260.366 1.00 0.00 C +ATOM 8 CA GLY A 8 225.056 227.670 257.748 1.00 0.00 C +ATOM 9 CA GLU A 9 226.417 224.112 257.737 1.00 0.00 C +ATOM 10 CA THR A 10 227.924 222.965 254.431 1.00 0.00 C +ATOM 11 CA SER A 11 230.402 225.242 252.645 1.00 0.00 C +ATOM 12 CA THR A 12 233.872 225.135 251.076 1.00 0.00 C +ATOM 13 CA SER A 13 236.472 227.748 252.040 1.00 0.00 C +ATOM 14 CA THR A 14 237.056 229.906 255.126 1.00 0.00 C +ATOM 15 CA GLN A 15 238.007 233.536 254.464 1.00 0.00 C +ATOM 16 CA THR A 16 236.542 236.142 256.826 1.00 0.00 C +ATOM 17 CA HIS A 17 234.497 239.128 258.018 1.00 0.00 C +ATOM 18 CA PRO A 18 236.621 242.283 258.238 1.00 0.00 C +ATOM 19 CA GLU A 19 239.417 244.518 259.544 1.00 0.00 C +ATOM 20 CA GLU A 20 242.379 244.251 257.162 1.00 0.00 C +ATOM 21 CA GLU A 21 245.923 243.682 255.885 1.00 0.00 C +ATOM 22 CA THR A 22 249.540 243.678 257.082 1.00 0.00 C +ATOM 23 CA GLN A 23 252.623 245.308 258.617 1.00 0.00 C +ATOM 24 CA GLY A 24 255.940 247.077 259.235 1.00 0.00 C +ATOM 25 CA LYS A 25 258.151 247.378 256.147 1.00 0.00 C +ATOM 26 CA PRO A 26 260.256 246.808 253.023 1.00 0.00 C +ATOM 27 CA GLN A 27 263.725 245.590 252.024 1.00 0.00 C +ATOM 28 CA GLN A 28 266.457 243.101 252.951 1.00 0.00 C +ATOM 29 CA THR A 29 270.147 244.046 252.888 1.00 0.00 C +ATOM 30 CA SER A 30 273.310 244.633 254.930 1.00 0.00 C +ATOM 31 CA LYS A 31 276.914 245.835 255.210 1.00 0.00 C +ATOM 32 CA GLN A 32 279.933 248.158 255.292 1.00 0.00 C +ATOM 33 CA GLN A 33 280.980 251.782 255.824 1.00 0.00 C +ATOM 34 CA VAL A 34 279.160 253.407 258.750 1.00 0.00 C +ATOM 35 CA LEU A 35 276.160 251.571 260.215 1.00 0.00 C +ATOM 36 CA GLU A 36 274.226 248.295 260.017 1.00 0.00 C +ATOM 37 CA ARG A 37 270.431 248.626 259.958 1.00 0.00 C +ATOM 38 CA HIS A 38 268.695 245.323 260.728 1.00 0.00 C +ATOM 39 CA GLN A 39 265.431 244.346 259.023 1.00 0.00 C +ATOM 40 CA THR A 40 262.648 241.944 258.022 1.00 0.00 C +ATOM 41 CA PRO A 41 262.375 238.584 259.796 1.00 0.00 C +ATOM 42 CA SER A 42 259.128 237.918 261.675 1.00 0.00 C +ATOM 43 CA PHE A 43 257.884 240.844 263.775 1.00 0.00 C +ATOM 44 CA GLY A 44 258.086 244.429 265.048 1.00 0.00 C +ATOM 45 CA GLY A 45 259.341 248.018 265.297 1.00 0.00 C +ATOM 46 CA HIS A 46 260.435 251.271 263.643 1.00 0.00 C +ATOM 47 CA ALA A 47 261.680 254.026 261.324 1.00 0.00 C +ATOM 48 CA ARG A 48 262.957 255.717 258.158 1.00 0.00 C +ATOM 49 CA ILE A 49 263.081 255.714 254.350 1.00 0.00 C +ATOM 50 CA ASP A 50 259.853 257.425 253.268 1.00 0.00 C +ATOM 51 CA ASP A 51 258.458 258.777 249.990 1.00 0.00 C +ATOM 52 CA SER A 52 257.218 260.426 246.788 1.00 0.00 C +ATOM 53 CA ASP A 53 254.165 262.535 247.656 1.00 0.00 C +ATOM 54 CA GLU A 54 251.106 264.704 248.328 1.00 0.00 C +ATOM 55 CA ASP A 55 249.682 268.036 247.151 1.00 0.00 C +ATOM 56 CA MET A 56 249.908 269.303 243.565 1.00 0.00 C +ATOM 57 CA TYR A 57 248.444 269.418 240.049 1.00 0.00 C +ATOM 58 CA ALA A 58 248.122 271.438 236.835 1.00 0.00 C +ATOM 59 CA SER A 59 248.396 271.926 233.066 1.00 0.00 C +ATOM 60 CA ASP A 60 245.160 271.690 231.070 1.00 0.00 C +ATOM 61 CA PRO A 61 243.274 268.497 230.193 1.00 0.00 C +ATOM 62 CA GLU A 62 239.806 266.932 230.001 1.00 0.00 C +ATOM 63 CA ASN A 63 237.646 268.438 227.247 1.00 0.00 C +ATOM 64 CA TYR A 64 236.860 271.778 225.590 1.00 0.00 C +ATOM 65 CA ASN A 65 239.112 274.598 224.370 1.00 0.00 C +ATOM 66 CA HIS A 66 237.775 277.525 222.330 1.00 0.00 C +ATOM 67 CA GLN A 67 239.960 280.113 220.584 1.00 0.00 C +ATOM 68 CA GLN A 68 242.805 280.047 218.050 1.00 0.00 C +ATOM 69 CA HIS A 69 246.512 280.204 217.187 1.00 0.00 C +ATOM 70 CA GLU A 70 248.541 279.178 214.129 1.00 0.00 C +ATOM 71 CA ASN A 71 250.218 281.820 211.956 1.00 0.00 C +ATOM 72 CA GLU A 72 247.903 284.217 210.108 1.00 0.00 C +TER 73 GLU A 72 +END diff --git a/Fungi/A0A9N9IT77/A0A9N9IT77.dcd b/Fungi/A0A9N9IT77/A0A9N9IT77.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f72ac370909ee7b39e722aa8e6f0a6afb79728cf --- /dev/null +++ b/Fungi/A0A9N9IT77/A0A9N9IT77.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:34961bd11d708dc81bcf4b4391ed4edea5ccd5ad55dc1bc872d41506df0f41b9 +size 10160276 diff --git a/Fungi/A0A9N9IT77/top.pdb b/Fungi/A0A9N9IT77/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ab17ab3e83f4c5fec3d0372a51ca18787261c1e1 --- /dev/null +++ b/Fungi/A0A9N9IT77/top.pdb @@ -0,0 +1,82 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ASP A 1 222.871 239.518 207.635 1.00 0.00 C +ATOM 2 CA VAL A 2 222.865 241.068 211.115 1.00 0.00 C +ATOM 3 CA PRO A 3 221.234 242.238 214.354 1.00 0.00 C +ATOM 4 CA ILE A 4 220.954 244.492 217.413 1.00 0.00 C +ATOM 5 CA TYR A 5 223.722 247.031 218.050 1.00 0.00 C +ATOM 6 CA ARG A 6 227.235 248.440 217.612 1.00 0.00 C +ATOM 7 CA ALA A 7 228.998 248.238 220.984 1.00 0.00 C +ATOM 8 CA GLY A 8 230.064 244.695 221.894 1.00 0.00 C +ATOM 9 CA VAL A 9 230.187 241.135 223.245 1.00 0.00 C +ATOM 10 CA ASP A 10 230.248 240.645 227.023 1.00 0.00 C +ATOM 11 CA PRO A 11 229.000 243.606 229.069 1.00 0.00 C +ATOM 12 CA GLU A 12 225.738 245.474 228.447 1.00 0.00 C +ATOM 13 CA LEU A 13 223.858 248.640 227.470 1.00 0.00 C +ATOM 14 CA GLY A 14 223.455 251.551 229.895 1.00 0.00 C +ATOM 15 CA ARG A 15 225.005 252.814 233.138 1.00 0.00 C +ATOM 16 CA ASP A 16 228.572 252.947 234.472 1.00 0.00 C +ATOM 17 CA THR A 17 232.224 253.336 235.486 1.00 0.00 C +ATOM 18 CA LEU A 18 233.055 256.998 236.132 1.00 0.00 C +ATOM 19 CA LYS A 19 236.150 257.893 238.165 1.00 0.00 C +ATOM 20 CA THR A 20 238.532 260.770 237.410 1.00 0.00 C +ATOM 21 CA HIS A 21 239.267 262.294 240.823 1.00 0.00 C +ATOM 22 CA ASN A 22 240.463 263.542 244.219 1.00 0.00 C +ATOM 23 CA GLU A 23 240.685 265.649 247.385 1.00 0.00 C +ATOM 24 CA ASN A 24 241.209 266.486 251.065 1.00 0.00 C +ATOM 25 CA GLU A 25 244.739 266.062 252.433 1.00 0.00 C +ATOM 26 CA ASN A 26 247.325 263.276 252.695 1.00 0.00 C +ATOM 27 CA SER A 27 247.292 259.485 253.073 1.00 0.00 C +ATOM 28 CA ASN A 28 245.667 258.779 256.446 1.00 0.00 C +ATOM 29 CA HIS A 29 241.907 259.213 256.013 1.00 0.00 C +ATOM 30 CA ASN A 30 239.436 260.969 258.321 1.00 0.00 C +ATOM 31 CA TYR A 31 235.989 259.896 259.539 1.00 0.00 C +ATOM 32 CA ASN A 32 236.053 256.231 260.577 1.00 0.00 C +ATOM 33 CA ASN A 33 236.536 252.677 259.290 1.00 0.00 C +ATOM 34 CA LEU A 34 234.341 252.353 256.193 1.00 0.00 C +ATOM 35 CA ALA A 35 236.729 252.235 253.227 1.00 0.00 C +ATOM 36 CA SER A 36 238.596 248.937 253.616 1.00 0.00 C +ATOM 37 CA HIS A 37 242.021 249.365 255.228 1.00 0.00 C +ATOM 38 CA GLU A 38 245.111 248.666 257.345 1.00 0.00 C +ATOM 39 CA VAL A 39 247.723 250.816 259.098 1.00 0.00 C +ATOM 40 CA THR A 40 251.353 251.052 257.965 1.00 0.00 C +ATOM 41 CA ALA A 41 253.982 253.527 259.181 1.00 0.00 C +ATOM 42 CA PHE A 42 252.472 256.703 260.647 1.00 0.00 C +ATOM 43 CA GLY A 43 252.932 258.583 263.929 1.00 0.00 C +ATOM 44 CA ASN A 44 254.076 261.905 265.403 1.00 0.00 C +ATOM 45 CA ASN A 45 257.576 262.884 264.261 1.00 0.00 C +ATOM 46 CA PRO A 46 261.273 262.563 263.397 1.00 0.00 C +ATOM 47 CA ARG A 47 262.534 262.769 259.808 1.00 0.00 C +ATOM 48 CA ALA A 48 261.608 259.986 257.376 1.00 0.00 C +ATOM 49 CA HIS A 49 258.592 257.688 257.750 1.00 0.00 C +ATOM 50 CA SER A 50 258.915 254.404 255.845 1.00 0.00 C +ATOM 51 CA ALA A 51 258.255 252.055 252.919 1.00 0.00 C +ATOM 52 CA SER A 52 259.650 251.094 249.506 1.00 0.00 C +ATOM 53 CA GLN A 53 260.635 253.306 246.565 1.00 0.00 C +ATOM 54 CA ASN A 54 263.621 252.982 244.222 1.00 0.00 C +ATOM 55 CA ASP A 55 265.115 249.543 244.901 1.00 0.00 C +ATOM 56 CA SER A 56 266.481 249.703 248.454 1.00 0.00 C +ATOM 57 CA ASP A 57 265.922 247.266 251.329 1.00 0.00 C +ATOM 58 CA ILE A 58 267.047 246.098 254.777 1.00 0.00 C +ATOM 59 CA SER A 59 267.300 246.073 258.578 1.00 0.00 C +ATOM 60 CA MET A 60 264.778 247.061 261.258 1.00 0.00 C +ATOM 61 CA PRO A 61 262.438 246.686 264.241 1.00 0.00 C +ATOM 62 CA ASP A 62 262.966 243.433 266.153 1.00 0.00 C +ATOM 63 CA ILE A 63 262.564 239.833 267.334 1.00 0.00 C +ATOM 64 CA GLY A 64 263.147 239.687 271.096 1.00 0.00 C +ATOM 65 CA GLY A 65 265.754 241.986 272.655 1.00 0.00 C +ATOM 66 CA GLY A 66 268.580 243.201 274.904 1.00 0.00 C +ATOM 67 CA SER A 67 271.685 240.993 274.954 1.00 0.00 C +ATOM 68 CA GLN A 68 271.922 237.200 274.682 1.00 0.00 C +ATOM 69 CA GLN A 69 270.880 236.227 271.149 1.00 0.00 C +ATOM 70 CA PRO A 70 272.451 238.593 268.609 1.00 0.00 C +ATOM 71 CA SER A 71 276.158 238.927 267.792 1.00 0.00 C +ATOM 72 CA TYR A 72 279.923 238.968 267.213 1.00 0.00 C +ATOM 73 CA MET A 73 282.255 239.501 264.247 1.00 0.00 C +ATOM 74 CA GLU A 74 280.956 237.392 261.352 1.00 0.00 C +ATOM 75 CA SER A 75 278.024 236.868 258.976 1.00 0.00 C +ATOM 76 CA VAL A 76 275.972 234.591 256.712 1.00 0.00 C +ATOM 77 CA ASN A 77 275.849 234.944 252.921 1.00 0.00 C +ATOM 78 CA GLU A 78 279.302 235.264 251.342 1.00 0.00 C +TER 79 GLU A 78 +END diff --git a/Fungi/A0A9N9JFA7/A0A9N9JFA7.dcd b/Fungi/A0A9N9JFA7/A0A9N9JFA7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..618c32badb52eb4c404db81cab6e4fd645b43471 --- /dev/null +++ b/Fungi/A0A9N9JFA7/A0A9N9JFA7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4bd65e9b9181e80d351375ca42721670a3b76d80c5632b690e5348c7aacafdb9 +size 14840276 diff --git a/Fungi/A0A9N9JFA7/top.pdb b/Fungi/A0A9N9JFA7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c2ddb3e4bef200dc407b113795770c8f59c529c1 --- /dev/null +++ b/Fungi/A0A9N9JFA7/top.pdb @@ -0,0 +1,121 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLN A 1 305.354 230.240 216.691 1.00 0.00 C +ATOM 2 CA TYR A 2 303.148 233.299 217.230 1.00 0.00 C +ATOM 3 CA ASP A 3 300.048 235.512 217.313 1.00 0.00 C +ATOM 4 CA PRO A 4 296.919 237.658 217.665 1.00 0.00 C +ATOM 5 CA ASN A 5 293.759 235.599 218.202 1.00 0.00 C +ATOM 6 CA THR A 6 290.242 236.395 219.432 1.00 0.00 C +ATOM 7 CA GLN A 7 286.777 237.165 218.049 1.00 0.00 C +ATOM 8 CA SER A 8 283.925 234.647 217.836 1.00 0.00 C +ATOM 9 CA TYR A 9 281.362 233.403 215.307 1.00 0.00 C +ATOM 10 CA TYR A 10 277.823 233.112 216.689 1.00 0.00 C +ATOM 11 CA TYR A 11 276.102 229.713 216.719 1.00 0.00 C +ATOM 12 CA VAL A 12 272.431 228.833 217.235 1.00 0.00 C +ATOM 13 CA ASP A 13 270.948 231.426 219.600 1.00 0.00 C +ATOM 14 CA THR A 14 269.632 234.363 221.640 1.00 0.00 C +ATOM 15 CA ARG A 15 272.423 235.416 224.009 1.00 0.00 C +ATOM 16 CA THR A 16 275.328 237.747 224.814 1.00 0.00 C +ATOM 17 CA GLY A 17 278.029 240.341 225.514 1.00 0.00 C +ATOM 18 CA VAL A 18 276.651 243.517 227.103 1.00 0.00 C +ATOM 19 CA SER A 19 273.788 242.304 229.306 1.00 0.00 C +ATOM 20 CA GLN A 20 270.236 243.485 228.600 1.00 0.00 C +ATOM 21 CA TRP A 21 269.755 246.787 226.760 1.00 0.00 C +ATOM 22 CA HIS A 22 266.641 248.918 227.293 1.00 0.00 C +ATOM 23 CA HIS A 23 267.226 252.571 226.382 1.00 0.00 C +ATOM 24 CA PRO A 24 268.025 254.846 229.331 1.00 0.00 C +ATOM 25 CA ALA A 25 271.552 256.181 229.877 1.00 0.00 C +ATOM 26 CA GLY A 26 274.023 254.281 232.067 1.00 0.00 C +ATOM 27 CA PRO A 27 276.538 256.261 234.134 1.00 0.00 C +ATOM 28 CA LEU A 28 279.267 258.918 234.038 1.00 0.00 C +ATOM 29 CA PRO A 29 279.552 261.682 236.646 1.00 0.00 C +ATOM 30 CA PRO A 30 279.294 262.122 240.422 1.00 0.00 C +ATOM 31 CA PRO A 31 277.242 259.490 242.260 1.00 0.00 C +ATOM 32 CA GLY A 32 275.878 259.087 245.795 1.00 0.00 C +ATOM 33 CA PRO A 33 276.263 259.229 249.583 1.00 0.00 C +ATOM 34 CA PRO A 34 275.485 259.662 253.287 1.00 0.00 C +ATOM 35 CA GLY A 35 276.863 260.671 256.693 1.00 0.00 C +ATOM 36 CA PRO A 36 280.337 260.473 258.244 1.00 0.00 C +ATOM 37 CA PRO A 37 280.556 263.036 261.055 1.00 0.00 C +ATOM 38 CA GLY A 38 280.767 261.452 264.513 1.00 0.00 C +ATOM 39 CA PRO A 39 277.149 260.978 265.607 1.00 0.00 C +ATOM 40 CA TYR A 40 273.582 261.576 264.408 1.00 0.00 C +ATOM 41 CA THR A 41 272.477 265.147 263.671 1.00 0.00 C +ATOM 42 CA GLY A 42 269.327 265.856 265.694 1.00 0.00 C +ATOM 43 CA GLY A 43 266.468 264.927 268.033 1.00 0.00 C +ATOM 44 CA TYR A 44 264.455 266.153 271.027 1.00 0.00 C +ATOM 45 CA ASN A 45 261.605 265.155 273.351 1.00 0.00 C +ATOM 46 CA ASN A 46 258.506 264.903 271.149 1.00 0.00 C +ATOM 47 CA ASN A 47 257.289 261.783 269.332 1.00 0.00 C +ATOM 48 CA LEU A 48 253.679 260.610 268.999 1.00 0.00 C +ATOM 49 CA PRO A 49 250.254 261.006 270.620 1.00 0.00 C +ATOM 50 CA PRO A 50 247.747 260.359 273.414 1.00 0.00 C +ATOM 51 CA PRO A 51 245.456 262.658 275.410 1.00 0.00 C +ATOM 52 CA TYR A 52 242.662 265.235 275.670 1.00 0.00 C +ATOM 53 CA PRO A 53 239.164 263.728 275.614 1.00 0.00 C +ATOM 54 CA GLY A 54 237.025 262.521 272.702 1.00 0.00 C +ATOM 55 CA ALA A 55 234.540 260.627 270.520 1.00 0.00 C +ATOM 56 CA ALA A 56 236.346 257.837 268.658 1.00 0.00 C +ATOM 57 CA GLN A 57 239.987 256.716 268.741 1.00 0.00 C +ATOM 58 CA SER A 58 241.925 259.648 270.212 1.00 0.00 C +ATOM 59 CA TYR A 59 243.360 262.426 268.035 1.00 0.00 C +ATOM 60 CA PRO A 60 243.173 261.669 264.306 1.00 0.00 C +ATOM 61 CA SER A 61 246.363 261.577 262.225 1.00 0.00 C +ATOM 62 CA SER A 62 248.691 259.663 259.893 1.00 0.00 C +ATOM 63 CA SER A 63 250.200 260.802 256.586 1.00 0.00 C +ATOM 64 CA TYR A 64 251.327 264.393 255.993 1.00 0.00 C +ATOM 65 CA PRO A 65 253.447 267.064 254.294 1.00 0.00 C +ATOM 66 CA GLY A 66 255.889 267.891 251.489 1.00 0.00 C +ATOM 67 CA GLU A 67 254.976 268.454 247.833 1.00 0.00 C +ATOM 68 CA ALA A 68 255.081 271.836 246.081 1.00 0.00 C +ATOM 69 CA ALA A 69 256.909 273.167 243.015 1.00 0.00 C +ATOM 70 CA SER A 70 256.047 273.893 239.375 1.00 0.00 C +ATOM 71 CA TYR A 71 253.000 273.148 237.212 1.00 0.00 C +ATOM 72 CA SER A 72 251.207 269.806 236.857 1.00 0.00 C +ATOM 73 CA PRO A 73 249.798 268.292 240.057 1.00 0.00 C +ATOM 74 CA SER A 74 249.740 265.462 242.608 1.00 0.00 C +ATOM 75 CA PRO A 75 248.399 263.422 245.532 1.00 0.00 C +ATOM 76 CA SER A 76 246.405 263.520 248.777 1.00 0.00 C +ATOM 77 CA THR A 77 243.192 261.553 249.349 1.00 0.00 C +ATOM 78 CA ALA A 78 239.566 262.685 249.059 1.00 0.00 C +ATOM 79 CA PRO A 79 237.443 265.847 249.159 1.00 0.00 C +ATOM 80 CA GLN A 80 233.759 266.654 248.619 1.00 0.00 C +ATOM 81 CA ASN A 81 230.156 265.979 247.578 1.00 0.00 C +ATOM 82 CA SER A 82 229.406 268.583 244.900 1.00 0.00 C +ATOM 83 CA ASP A 83 228.920 267.986 241.168 1.00 0.00 C +ATOM 84 CA GLU A 84 230.057 264.402 240.552 1.00 0.00 C +ATOM 85 CA LYS A 85 229.003 260.778 241.075 1.00 0.00 C +ATOM 86 CA SER A 86 228.818 257.042 240.356 1.00 0.00 C +ATOM 87 CA SER A 87 228.024 253.894 238.361 1.00 0.00 C +ATOM 88 CA SER A 88 228.107 251.068 240.915 1.00 0.00 C +ATOM 89 CA GLN A 89 226.542 247.722 239.983 1.00 0.00 C +ATOM 90 CA THR A 90 225.251 244.728 241.955 1.00 0.00 C +ATOM 91 CA THR A 91 225.557 241.065 242.956 1.00 0.00 C +ATOM 92 CA THR A 92 225.273 240.552 246.721 1.00 0.00 C +ATOM 93 CA ASP A 93 227.788 242.597 248.724 1.00 0.00 C +ATOM 94 CA LYS A 94 231.176 240.857 248.611 1.00 0.00 C +ATOM 95 CA LYS A 95 232.048 237.924 250.881 1.00 0.00 C +ATOM 96 CA LEU A 96 230.528 236.935 254.232 1.00 0.00 C +ATOM 97 CA GLY A 97 227.598 234.898 255.568 1.00 0.00 C +ATOM 98 CA SER A 98 228.328 231.715 257.531 1.00 0.00 C +ATOM 99 CA ASP A 99 229.157 230.365 260.996 1.00 0.00 C +ATOM 100 CA LYS A 100 229.408 228.112 264.058 1.00 0.00 C +ATOM 101 CA LYS A 101 225.908 226.821 264.831 1.00 0.00 C +ATOM 102 CA ASN A 102 224.444 226.949 268.347 1.00 0.00 C +ATOM 103 CA MET A 103 225.300 229.488 271.055 1.00 0.00 C +ATOM 104 CA LEU A 104 223.266 228.627 274.160 1.00 0.00 C +ATOM 105 CA GLY A 105 220.204 230.873 274.470 1.00 0.00 C +ATOM 106 CA ALA A 106 216.851 229.148 273.923 1.00 0.00 C +ATOM 107 CA ALA A 107 215.093 227.729 270.855 1.00 0.00 C +ATOM 108 CA ALA A 108 211.505 226.589 271.442 1.00 0.00 C +ATOM 109 CA LEU A 109 208.691 224.221 272.437 1.00 0.00 C +ATOM 110 CA GLY A 110 204.958 224.319 271.683 1.00 0.00 C +ATOM 111 CA LEU A 111 201.398 224.572 273.018 1.00 0.00 C +ATOM 112 CA GLY A 112 199.051 223.159 275.666 1.00 0.00 C +ATOM 113 CA GLY A 113 196.898 224.635 278.441 1.00 0.00 C +ATOM 114 CA GLY A 114 194.129 227.154 277.732 1.00 0.00 C +ATOM 115 CA GLY A 115 190.660 225.592 277.534 1.00 0.00 C +ATOM 116 CA ALA A 116 186.987 226.526 277.146 1.00 0.00 C +ATOM 117 CA LEU A 117 185.704 225.900 273.613 1.00 0.00 C +TER 118 LEU A 117 +END diff --git a/Fungi/A0A9N9KFC0/A0A9N9KFC0.dcd b/Fungi/A0A9N9KFC0/A0A9N9KFC0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..fc2fe823177e72242e7ad211077eb4232cb740e5 --- /dev/null +++ b/Fungi/A0A9N9KFC0/A0A9N9KFC0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0883a1ce20bc1d780b8b7e20e8cd7f4639a182e5142fb4bdf5899cac8a15f8ec +size 12320276 diff --git a/Fungi/A0A9N9KFC0/top.pdb b/Fungi/A0A9N9KFC0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1bb92df724e9239f72aa42567e7411f458da4d78 --- /dev/null +++ b/Fungi/A0A9N9KFC0/top.pdb @@ -0,0 +1,100 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ARG A 1 268.199 205.169 211.761 1.00 0.00 C +ATOM 2 CA PRO A 2 265.456 205.478 209.134 1.00 0.00 C +ATOM 3 CA LYS A 3 262.499 207.591 207.989 1.00 0.00 C +ATOM 4 CA ARG A 4 262.427 211.387 208.309 1.00 0.00 C +ATOM 5 CA THR A 5 260.840 213.716 210.873 1.00 0.00 C +ATOM 6 CA ARG A 6 262.552 216.505 212.824 1.00 0.00 C +ATOM 7 CA PRO A 7 265.629 217.727 210.938 1.00 0.00 C +ATOM 8 CA SER A 8 267.574 221.002 211.038 1.00 0.00 C +ATOM 9 CA GLY A 9 269.155 222.770 214.019 1.00 0.00 C +ATOM 10 CA GLY A 10 272.202 224.773 215.126 1.00 0.00 C +ATOM 11 CA ALA A 11 272.291 228.572 214.858 1.00 0.00 C +ATOM 12 CA GLY A 12 268.730 229.907 215.092 1.00 0.00 C +ATOM 13 CA THR A 13 267.062 228.033 217.959 1.00 0.00 C +ATOM 14 CA TYR A 14 263.845 226.480 216.635 1.00 0.00 C +ATOM 15 CA ILE A 15 260.073 226.198 216.174 1.00 0.00 C +ATOM 16 CA SER A 16 258.041 226.925 219.313 1.00 0.00 C +ATOM 17 CA SER A 17 255.692 229.915 219.550 1.00 0.00 C +ATOM 18 CA SER A 18 257.201 233.395 219.904 1.00 0.00 C +ATOM 19 CA ARG A 19 255.856 236.012 222.325 1.00 0.00 C +ATOM 20 CA GLY A 20 254.528 238.988 220.351 1.00 0.00 C +ATOM 21 CA SER A 21 253.151 241.551 222.811 1.00 0.00 C +ATOM 22 CA PHE A 22 254.204 242.330 226.389 1.00 0.00 C +ATOM 23 CA ASP A 23 257.263 242.764 228.618 1.00 0.00 C +ATOM 24 CA PRO A 24 260.501 242.252 226.677 1.00 0.00 C +ATOM 25 CA ASN A 25 263.857 244.006 226.254 1.00 0.00 C +ATOM 26 CA PRO A 26 266.516 246.544 227.255 1.00 0.00 C +ATOM 27 CA GLY A 27 266.830 249.086 230.076 1.00 0.00 C +ATOM 28 CA PHE A 28 264.044 251.628 229.536 1.00 0.00 C +ATOM 29 CA THR A 29 264.952 254.496 227.198 1.00 0.00 C +ATOM 30 CA LYS A 30 264.026 258.167 227.630 1.00 0.00 C +ATOM 31 CA ASP A 31 263.857 259.255 231.277 1.00 0.00 C +ATOM 32 CA PRO A 32 261.530 261.154 233.621 1.00 0.00 C +ATOM 33 CA ASN A 33 258.057 259.723 234.258 1.00 0.00 C +ATOM 34 CA PRO A 34 255.526 259.812 237.104 1.00 0.00 C +ATOM 35 CA GLY A 35 252.429 259.660 239.319 1.00 0.00 C +ATOM 36 CA PHE A 36 250.425 256.600 240.382 1.00 0.00 C +ATOM 37 CA THR A 37 250.118 252.906 239.501 1.00 0.00 C +ATOM 38 CA GLU A 38 248.959 249.430 238.457 1.00 0.00 C +ATOM 39 CA ASP A 39 248.350 246.753 235.815 1.00 0.00 C +ATOM 40 CA PRO A 40 245.265 246.837 233.582 1.00 0.00 C +ATOM 41 CA ASN A 41 242.110 246.754 231.446 1.00 0.00 C +ATOM 42 CA PRO A 42 239.598 249.346 230.227 1.00 0.00 C +ATOM 43 CA GLY A 43 238.553 251.668 227.393 1.00 0.00 C +ATOM 44 CA PHE A 44 234.979 252.773 228.115 1.00 0.00 C +ATOM 45 CA THR A 45 232.060 254.801 229.488 1.00 0.00 C +ATOM 46 CA GLU A 46 231.702 258.023 231.490 1.00 0.00 C +ATOM 47 CA ASP A 47 230.289 261.358 230.309 1.00 0.00 C +ATOM 48 CA PRO A 48 229.351 264.756 231.754 1.00 0.00 C +ATOM 49 CA PHE A 49 227.902 267.033 234.444 1.00 0.00 C +ATOM 50 CA LEU A 50 229.697 267.864 237.700 1.00 0.00 C +ATOM 51 CA ASP A 51 232.591 267.516 240.155 1.00 0.00 C +ATOM 52 CA PHE A 52 234.635 266.079 243.031 1.00 0.00 C +ATOM 53 CA THR A 53 237.728 265.567 245.195 1.00 0.00 C +ATOM 54 CA GLU A 54 238.688 268.266 247.707 1.00 0.00 C +ATOM 55 CA ASP A 55 240.977 268.961 250.672 1.00 0.00 C +ATOM 56 CA PRO A 56 241.727 265.524 252.134 1.00 0.00 C +ATOM 57 CA ASN A 57 242.215 262.284 250.189 1.00 0.00 C +ATOM 58 CA THR A 58 243.874 258.965 251.056 1.00 0.00 C +ATOM 59 CA LYS A 59 241.576 255.990 250.440 1.00 0.00 C +ATOM 60 CA PRO A 60 242.008 252.210 250.642 1.00 0.00 C +ATOM 61 CA VAL A 61 243.995 249.758 252.778 1.00 0.00 C +ATOM 62 CA PRO A 62 245.316 247.249 255.323 1.00 0.00 C +ATOM 63 CA SER A 63 247.635 244.328 256.099 1.00 0.00 C +ATOM 64 CA THR A 64 249.199 244.327 259.573 1.00 0.00 C +ATOM 65 CA SER A 65 252.981 243.953 259.841 1.00 0.00 C +ATOM 66 CA TYR A 66 253.562 242.196 263.172 1.00 0.00 C +ATOM 67 CA LEU A 67 256.266 241.991 265.848 1.00 0.00 C +ATOM 68 CA PRO A 68 257.670 241.117 269.280 1.00 0.00 C +ATOM 69 CA SER A 69 256.817 241.791 272.932 1.00 0.00 C +ATOM 70 CA GLY A 70 256.486 245.040 274.894 1.00 0.00 C +ATOM 71 CA SER A 71 253.964 246.715 277.207 1.00 0.00 C +ATOM 72 CA ASN A 72 254.019 246.019 280.952 1.00 0.00 C +ATOM 73 CA ARG A 73 254.025 246.268 284.754 1.00 0.00 C +ATOM 74 CA GLY A 74 254.563 249.619 286.486 1.00 0.00 C +ATOM 75 CA ASN A 75 256.121 252.078 288.944 1.00 0.00 C +ATOM 76 CA ALA A 76 256.444 251.851 292.733 1.00 0.00 C +ATOM 77 CA PRO A 77 254.955 254.956 294.361 1.00 0.00 C +ATOM 78 CA LYS A 78 251.272 254.153 294.920 1.00 0.00 C +ATOM 79 CA PRO A 79 248.730 256.881 295.699 1.00 0.00 C +ATOM 80 CA GLY A 80 245.795 259.311 295.687 1.00 0.00 C +ATOM 81 CA THR A 81 246.126 261.738 292.769 1.00 0.00 C +ATOM 82 CA TYR A 82 245.264 262.418 289.120 1.00 0.00 C +ATOM 83 CA GLU A 83 241.793 260.943 288.578 1.00 0.00 C +ATOM 84 CA ASP A 84 239.334 263.847 288.399 1.00 0.00 C +ATOM 85 CA PRO A 85 236.941 265.389 290.932 1.00 0.00 C +ATOM 86 CA ALA A 86 238.076 266.184 294.481 1.00 0.00 C +ATOM 87 CA PRO A 87 240.561 268.851 295.589 1.00 0.00 C +ATOM 88 CA ASN A 88 239.389 272.472 295.759 1.00 0.00 C +ATOM 89 CA PRO A 89 236.293 274.657 295.364 1.00 0.00 C +ATOM 90 CA VAL A 90 235.309 278.287 295.974 1.00 0.00 C +ATOM 91 CA SER A 91 232.794 280.889 297.168 1.00 0.00 C +ATOM 92 CA ASN A 92 231.555 283.083 300.025 1.00 0.00 C +ATOM 93 CA PRO A 93 232.800 282.725 303.608 1.00 0.00 C +ATOM 94 CA ASN A 94 234.533 280.762 306.376 1.00 0.00 C +ATOM 95 CA SER A 95 235.186 279.577 309.937 1.00 0.00 C +ATOM 96 CA GLN A 96 232.256 277.347 310.916 1.00 0.00 C +TER 97 GLN A 96 +END diff --git a/Fungi/A0A9N9NY73/A0A9N9NY73.dcd b/Fungi/A0A9N9NY73/A0A9N9NY73.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e38ad6dc2b9faccc2c71e76be285fc31e1336b2e --- /dev/null +++ b/Fungi/A0A9N9NY73/A0A9N9NY73.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:912fbafbede6f9884e45775898246941352d0a3b680b31be30c5918211cc83ec +size 15920276 diff --git a/Fungi/A0A9N9NY73/top.pdb b/Fungi/A0A9N9NY73/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b5d2d219d88c94628695f89fb045cecb0f342cf2 --- /dev/null +++ b/Fungi/A0A9N9NY73/top.pdb @@ -0,0 +1,130 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLY A 1 219.739 250.412 328.147 1.00 0.00 C +ATOM 2 CA GLY A 2 217.211 252.030 325.799 1.00 0.00 C +ATOM 3 CA ASN A 3 217.473 251.951 321.999 1.00 0.00 C +ATOM 4 CA PRO A 4 214.461 250.138 320.531 1.00 0.00 C +ATOM 5 CA GLY A 5 215.028 246.387 320.172 1.00 0.00 C +ATOM 6 CA SER A 6 212.866 243.899 318.261 1.00 0.00 C +ATOM 7 CA LYS A 7 214.163 243.167 314.754 1.00 0.00 C +ATOM 8 CA ARG A 8 216.704 240.340 314.488 1.00 0.00 C +ATOM 9 CA GLU A 9 216.870 237.675 311.770 1.00 0.00 C +ATOM 10 CA VAL A 10 216.995 233.913 311.185 1.00 0.00 C +ATOM 11 CA GLN A 11 216.150 231.176 313.697 1.00 0.00 C +ATOM 12 CA ASP A 12 217.121 227.938 315.456 1.00 0.00 C +ATOM 13 CA GLN A 13 220.857 227.724 316.175 1.00 0.00 C +ATOM 14 CA LYS A 14 224.499 228.216 315.172 1.00 0.00 C +ATOM 15 CA ASP A 15 226.537 226.537 317.918 1.00 0.00 C +ATOM 16 CA ASN A 16 227.380 228.678 320.955 1.00 0.00 C +ATOM 17 CA GLU A 17 227.522 232.395 320.132 1.00 0.00 C +ATOM 18 CA LYS A 18 229.844 234.764 318.257 1.00 0.00 C +ATOM 19 CA ARG A 19 230.073 238.390 319.406 1.00 0.00 C +ATOM 20 CA GLU A 20 229.734 241.875 317.904 1.00 0.00 C +ATOM 21 CA PRO A 21 230.150 244.764 320.354 1.00 0.00 C +ATOM 22 CA SER A 22 228.712 248.183 319.483 1.00 0.00 C +ATOM 23 CA ARG A 23 227.650 248.528 315.840 1.00 0.00 C +ATOM 24 CA GLY A 24 229.833 251.322 314.446 1.00 0.00 C +ATOM 25 CA SER A 25 233.570 251.639 313.774 1.00 0.00 C +ATOM 26 CA SER A 26 236.382 254.195 314.046 1.00 0.00 C +ATOM 27 CA ASP A 27 239.152 253.180 311.635 1.00 0.00 C +ATOM 28 CA GLY A 28 241.457 256.112 310.854 1.00 0.00 C +ATOM 29 CA SER A 29 242.199 256.238 307.119 1.00 0.00 C +ATOM 30 CA ASN A 30 243.329 259.753 306.178 1.00 0.00 C +ATOM 31 CA LEU A 31 244.469 263.310 305.427 1.00 0.00 C +ATOM 32 CA TYR A 32 242.557 265.414 302.890 1.00 0.00 C +ATOM 33 CA ARG A 33 242.144 263.145 299.858 1.00 0.00 C +ATOM 34 CA GLY A 34 239.926 263.140 296.760 1.00 0.00 C +ATOM 35 CA GLY A 35 236.693 264.465 295.239 1.00 0.00 C +ATOM 36 CA GLY A 36 235.955 264.062 291.523 1.00 0.00 C +ATOM 37 CA ASN A 37 234.959 264.834 287.927 1.00 0.00 C +ATOM 38 CA PRO A 38 237.303 264.680 284.928 1.00 0.00 C +ATOM 39 CA GLY A 39 237.621 261.347 283.110 1.00 0.00 C +ATOM 40 CA SER A 40 238.188 262.247 279.452 1.00 0.00 C +ATOM 41 CA LYS A 41 236.690 263.314 276.115 1.00 0.00 C +ATOM 42 CA ARG A 42 238.079 266.481 274.516 1.00 0.00 C +ATOM 43 CA GLU A 43 240.121 269.576 273.639 1.00 0.00 C +ATOM 44 CA VAL A 44 242.760 269.611 270.892 1.00 0.00 C +ATOM 45 CA GLN A 45 243.514 269.746 267.160 1.00 0.00 C +ATOM 46 CA GLU A 46 240.169 269.750 265.338 1.00 0.00 C +ATOM 47 CA GLN A 47 237.363 267.405 264.267 1.00 0.00 C +ATOM 48 CA LYS A 48 235.516 268.953 261.316 1.00 0.00 C +ATOM 49 CA ASP A 49 236.166 270.056 257.728 1.00 0.00 C +ATOM 50 CA ASN A 50 235.599 267.944 254.608 1.00 0.00 C +ATOM 51 CA GLU A 51 234.676 264.472 253.340 1.00 0.00 C +ATOM 52 CA LYS A 52 233.880 261.444 255.511 1.00 0.00 C +ATOM 53 CA ARG A 53 236.163 258.615 254.368 1.00 0.00 C +ATOM 54 CA GLU A 54 239.016 260.093 252.321 1.00 0.00 C +ATOM 55 CA PRO A 55 242.534 259.427 253.623 1.00 0.00 C +ATOM 56 CA SER A 56 245.249 261.976 252.817 1.00 0.00 C +ATOM 57 CA ARG A 57 248.124 263.141 250.606 1.00 0.00 C +ATOM 58 CA GLY A 58 247.835 262.274 246.907 1.00 0.00 C +ATOM 59 CA SER A 59 250.058 259.407 245.746 1.00 0.00 C +ATOM 60 CA SER A 60 253.371 260.954 244.675 1.00 0.00 C +ATOM 61 CA SER A 61 254.688 260.941 241.100 1.00 0.00 C +ATOM 62 CA SER A 62 254.043 263.538 238.388 1.00 0.00 C +ATOM 63 CA SER A 63 255.539 266.837 239.570 1.00 0.00 C +ATOM 64 CA ASN A 64 254.841 268.175 243.068 1.00 0.00 C +ATOM 65 CA LEU A 65 251.566 267.014 244.631 1.00 0.00 C +ATOM 66 CA TYR A 66 248.730 269.001 246.221 1.00 0.00 C +ATOM 67 CA ARG A 67 246.494 272.067 246.559 1.00 0.00 C +ATOM 68 CA GLY A 68 246.069 274.012 243.311 1.00 0.00 C +ATOM 69 CA GLY A 69 243.946 277.136 242.816 1.00 0.00 C +ATOM 70 CA GLY A 70 240.283 276.187 242.370 1.00 0.00 C +ATOM 71 CA ASN A 71 239.149 275.991 238.738 1.00 0.00 C +ATOM 72 CA HIS A 72 240.390 274.659 235.391 1.00 0.00 C +ATOM 73 CA GLY A 73 243.252 272.154 235.611 1.00 0.00 C +ATOM 74 CA SER A 74 246.494 273.798 234.469 1.00 0.00 C +ATOM 75 CA LYS A 75 248.651 273.431 231.350 1.00 0.00 C +ATOM 76 CA ARG A 76 250.613 270.856 229.342 1.00 0.00 C +ATOM 77 CA GLU A 77 251.897 267.767 227.518 1.00 0.00 C +ATOM 78 CA ALA A 78 252.678 268.211 223.815 1.00 0.00 C +ATOM 79 CA GLN A 79 254.437 268.328 220.437 1.00 0.00 C +ATOM 80 CA ASP A 80 258.167 267.610 220.139 1.00 0.00 C +ATOM 81 CA GLN A 81 259.861 264.232 219.651 1.00 0.00 C +ATOM 82 CA ASN A 82 261.028 263.231 216.165 1.00 0.00 C +ATOM 83 CA ASP A 83 262.745 259.967 215.209 1.00 0.00 C +ATOM 84 CA ASN A 84 265.146 257.159 214.274 1.00 0.00 C +ATOM 85 CA GLU A 85 265.842 253.989 212.280 1.00 0.00 C +ATOM 86 CA LYS A 86 265.686 250.252 211.551 1.00 0.00 C +ATOM 87 CA ARG A 87 268.744 248.085 212.236 1.00 0.00 C +ATOM 88 CA GLU A 88 272.388 247.330 211.416 1.00 0.00 C +ATOM 89 CA PRO A 89 274.982 244.644 212.169 1.00 0.00 C +ATOM 90 CA SER A 90 277.383 244.248 209.237 1.00 0.00 C +ATOM 91 CA ARG A 91 277.925 247.383 207.142 1.00 0.00 C +ATOM 92 CA TYR A 92 279.783 246.926 203.847 1.00 0.00 C +ATOM 93 CA GLY A 93 278.269 248.953 200.999 1.00 0.00 C +ATOM 94 CA SER A 94 279.117 247.549 197.560 1.00 0.00 C +ATOM 95 CA SER A 95 277.604 246.225 194.323 1.00 0.00 C +ATOM 96 CA GLY A 96 277.340 244.135 191.149 1.00 0.00 C +ATOM 97 CA THR A 97 276.241 243.435 187.569 1.00 0.00 C +ATOM 98 CA THR A 98 273.003 241.447 187.290 1.00 0.00 C +ATOM 99 CA GLY A 99 270.337 239.954 189.566 1.00 0.00 C +ATOM 100 CA ASN A 100 268.771 242.576 191.845 1.00 0.00 C +ATOM 101 CA TYR A 101 270.255 245.398 193.931 1.00 0.00 C +ATOM 102 CA ARG A 102 270.429 249.115 194.750 1.00 0.00 C +ATOM 103 CA PRO A 103 269.506 249.319 198.441 1.00 0.00 C +ATOM 104 CA GLY A 104 268.357 248.694 202.019 1.00 0.00 C +ATOM 105 CA LYS A 105 269.277 245.109 202.921 1.00 0.00 C +ATOM 106 CA ARG A 106 271.076 243.349 205.782 1.00 0.00 C +ATOM 107 CA GLU A 107 271.675 239.588 205.895 1.00 0.00 C +ATOM 108 CA VAL A 108 272.343 237.195 203.007 1.00 0.00 C +ATOM 109 CA GLN A 109 272.684 233.981 200.989 1.00 0.00 C +ATOM 110 CA GLY A 110 269.815 231.555 200.355 1.00 0.00 C +ATOM 111 CA GLN A 111 267.805 230.714 203.481 1.00 0.00 C +ATOM 112 CA VAL A 112 268.555 227.116 204.485 1.00 0.00 C +ATOM 113 CA PRO A 113 266.250 224.225 203.567 1.00 0.00 C +ATOM 114 CA LYS A 114 267.088 222.518 200.265 1.00 0.00 C +ATOM 115 CA HIS A 115 269.330 222.687 197.189 1.00 0.00 C +ATOM 116 CA GLU A 116 272.384 222.510 194.918 1.00 0.00 C +ATOM 117 CA PRO A 117 273.930 219.131 194.076 1.00 0.00 C +ATOM 118 CA LYS A 118 274.553 215.372 194.099 1.00 0.00 C +ATOM 119 CA ARG A 119 277.971 213.786 193.533 1.00 0.00 C +ATOM 120 CA THR A 120 279.652 214.246 190.145 1.00 0.00 C +ATOM 121 CA ALA A 121 280.953 213.846 186.586 1.00 0.00 C +ATOM 122 CA PHE A 122 279.586 211.452 183.957 1.00 0.00 C +ATOM 123 CA PRO A 123 280.171 208.163 182.123 1.00 0.00 C +ATOM 124 CA ILE A 124 280.760 205.457 184.740 1.00 0.00 C +ATOM 125 CA TYR A 125 284.241 206.002 186.189 1.00 0.00 C +ATOM 126 CA PRO A 126 286.872 207.236 183.725 1.00 0.00 C +TER 127 PRO A 126 +END diff --git a/Fungi/A0A9N9PJS9/A0A9N9PJS9.dcd b/Fungi/A0A9N9PJS9/A0A9N9PJS9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..5ae149881b314a23c0b77967b3747cc9057e6f71 --- /dev/null +++ b/Fungi/A0A9N9PJS9/A0A9N9PJS9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fd99508388baf902e5cd4242071c7e2e7359306a5f0b0d2bc25be6db8edac1d2 +size 7280276 diff --git a/Fungi/A0A9N9PJS9/top.pdb b/Fungi/A0A9N9PJS9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d7c55e4b7793ef9edb08e998ed8d02c120695885 --- /dev/null +++ b/Fungi/A0A9N9PJS9/top.pdb @@ -0,0 +1,58 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LYS A 1 282.091 254.562 260.192 1.00 0.00 C +ATOM 2 CA ASP A 2 282.238 253.685 256.487 1.00 0.00 C +ATOM 3 CA ASN A 3 279.409 251.384 255.382 1.00 0.00 C +ATOM 4 CA ARG A 4 278.763 248.954 258.243 1.00 0.00 C +ATOM 5 CA LYS A 5 277.223 250.732 261.241 1.00 0.00 C +ATOM 6 CA VAL A 6 273.570 250.965 262.297 1.00 0.00 C +ATOM 7 CA GLN A 7 271.700 247.699 261.704 1.00 0.00 C +ATOM 8 CA GLU A 8 268.111 246.804 260.791 1.00 0.00 C +ATOM 9 CA ASN A 9 264.402 247.671 260.727 1.00 0.00 C +ATOM 10 CA GLU A 10 262.743 244.928 262.786 1.00 0.00 C +ATOM 11 CA ASN A 11 262.976 246.086 266.408 1.00 0.00 C +ATOM 12 CA PRO A 12 265.511 246.993 269.104 1.00 0.00 C +ATOM 13 CA ARG A 13 267.368 244.936 271.719 1.00 0.00 C +ATOM 14 CA THR A 14 265.096 242.609 273.705 1.00 0.00 C +ATOM 15 CA ASN A 15 266.441 241.656 277.140 1.00 0.00 C +ATOM 16 CA TYR A 16 263.470 241.452 279.518 1.00 0.00 C +ATOM 17 CA LYS A 17 259.690 241.191 279.918 1.00 0.00 C +ATOM 18 CA GLY A 18 257.614 241.261 276.724 1.00 0.00 C +ATOM 19 CA LYS A 19 257.158 238.240 274.448 1.00 0.00 C +ATOM 20 CA GLY A 20 259.009 238.946 271.195 1.00 0.00 C +ATOM 21 CA LYS A 21 258.069 238.584 267.520 1.00 0.00 C +ATOM 22 CA ALA A 22 257.958 241.491 265.059 1.00 0.00 C +ATOM 23 CA LYS A 23 254.944 241.617 262.732 1.00 0.00 C +ATOM 24 CA GLU A 24 255.274 242.561 259.055 1.00 0.00 C +ATOM 25 CA ASP A 25 254.999 243.117 255.296 1.00 0.00 C +ATOM 26 CA ILE A 26 255.301 245.159 252.094 1.00 0.00 C +ATOM 27 CA ASP A 27 252.972 247.572 250.285 1.00 0.00 C +ATOM 28 CA GLU A 28 252.049 250.521 252.514 1.00 0.00 C +ATOM 29 CA GLU A 29 252.374 252.485 255.763 1.00 0.00 C +ATOM 30 CA ASN A 30 251.005 256.032 255.517 1.00 0.00 C +ATOM 31 CA PRO A 31 247.304 256.896 255.785 1.00 0.00 C +ATOM 32 CA SER A 32 244.328 255.030 257.262 1.00 0.00 C +ATOM 33 CA ASP A 33 241.882 254.282 254.438 1.00 0.00 C +ATOM 34 CA LEU A 34 238.475 255.395 255.731 1.00 0.00 C +ATOM 35 CA GLU A 35 235.946 256.437 253.078 1.00 0.00 C +ATOM 36 CA LEU A 36 233.969 258.884 250.929 1.00 0.00 C +ATOM 37 CA ILE A 37 234.226 261.130 247.862 1.00 0.00 C +ATOM 38 CA ASN A 38 235.141 259.728 244.439 1.00 0.00 C +ATOM 39 CA SER A 39 232.271 259.825 241.935 1.00 0.00 C +ATOM 40 CA ASN A 40 231.530 259.795 238.198 1.00 0.00 C +ATOM 41 CA ASN A 41 234.356 258.751 235.865 1.00 0.00 C +ATOM 42 CA ASP A 42 236.032 257.261 232.786 1.00 0.00 C +ATOM 43 CA GLU A 43 236.361 255.237 229.574 1.00 0.00 C +ATOM 44 CA ASN A 44 233.596 252.960 228.276 1.00 0.00 C +ATOM 45 CA LEU A 45 234.775 251.275 225.068 1.00 0.00 C +ATOM 46 CA LEU A 46 233.048 251.465 221.677 1.00 0.00 C +ATOM 47 CA ASP A 47 232.613 254.603 219.561 1.00 0.00 C +ATOM 48 CA GLN A 48 230.604 254.590 216.323 1.00 0.00 C +ATOM 49 CA GLU A 49 227.682 256.822 215.325 1.00 0.00 C +ATOM 50 CA LYS A 50 225.688 256.560 212.089 1.00 0.00 C +ATOM 51 CA TRP A 51 223.563 253.398 212.118 1.00 0.00 C +ATOM 52 CA ARG A 52 223.662 249.605 211.776 1.00 0.00 C +ATOM 53 CA VAL A 53 222.681 246.044 210.837 1.00 0.00 C +ATOM 54 CA GLU A 54 220.738 244.137 213.502 1.00 0.00 C +TER 55 GLU A 54 +END diff --git a/Fungi/A0A9N9ZPM3/A0A9N9ZPM3.dcd b/Fungi/A0A9N9ZPM3/A0A9N9ZPM3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..2c16e81b969205f35bb814644189338a56d22d9c --- /dev/null +++ b/Fungi/A0A9N9ZPM3/A0A9N9ZPM3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6c3270bca54339cb9c6ecea8c3eca834aa9cd877ac8bbde4d167c81b59da3f2f +size 10520276 diff --git a/Fungi/A0A9N9ZPM3/top.pdb b/Fungi/A0A9N9ZPM3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c710e572d64ddb5e3b5d7ca674cba8466cadf5f8 --- /dev/null +++ b/Fungi/A0A9N9ZPM3/top.pdb @@ -0,0 +1,85 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 265.280 217.380 232.373 1.00 0.00 C +ATOM 2 CA PHE A 2 265.539 220.890 233.833 1.00 0.00 C +ATOM 3 CA ASN A 3 268.283 223.528 233.991 1.00 0.00 C +ATOM 4 CA SER A 4 268.756 227.299 234.267 1.00 0.00 C +ATOM 5 CA PRO A 5 269.601 228.051 237.905 1.00 0.00 C +ATOM 6 CA SER A 6 267.501 229.461 240.755 1.00 0.00 C +ATOM 7 CA ALA A 7 265.388 232.382 239.523 1.00 0.00 C +ATOM 8 CA ARG A 8 262.037 233.920 238.563 1.00 0.00 C +ATOM 9 CA LYS A 9 259.451 236.521 237.532 1.00 0.00 C +ATOM 10 CA SER A 10 261.219 239.833 236.884 1.00 0.00 C +ATOM 11 CA VAL A 11 263.992 240.382 234.330 1.00 0.00 C +ATOM 12 CA ASP A 12 264.887 237.484 232.024 1.00 0.00 C +ATOM 13 CA SER A 13 268.293 235.820 231.641 1.00 0.00 C +ATOM 14 CA LEU A 14 270.311 234.796 228.577 1.00 0.00 C +ATOM 15 CA HIS A 15 270.576 237.859 226.326 1.00 0.00 C +ATOM 16 CA ALA A 16 272.494 240.784 224.816 1.00 0.00 C +ATOM 17 CA LEU A 17 272.294 244.216 226.460 1.00 0.00 C +ATOM 18 CA PRO A 18 273.091 245.147 230.067 1.00 0.00 C +ATOM 19 CA PRO A 19 273.642 248.870 230.663 1.00 0.00 C +ATOM 20 CA THR A 20 273.393 249.363 234.432 1.00 0.00 C +ATOM 21 CA GLY A 21 272.746 250.747 237.923 1.00 0.00 C +ATOM 22 CA ARG A 22 274.408 248.862 240.786 1.00 0.00 C +ATOM 23 CA SER A 23 272.658 248.348 244.132 1.00 0.00 C +ATOM 24 CA GLU A 24 273.350 248.915 247.835 1.00 0.00 C +ATOM 25 CA TYR A 25 273.499 245.991 250.273 1.00 0.00 C +ATOM 26 CA PRO A 26 273.783 244.731 253.858 1.00 0.00 C +ATOM 27 CA LEU A 27 272.556 246.635 256.921 1.00 0.00 C +ATOM 28 CA HIS A 28 269.392 248.638 257.625 1.00 0.00 C +ATOM 29 CA SER A 29 265.752 249.757 257.494 1.00 0.00 C +ATOM 30 CA ARG A 30 262.916 247.354 256.661 1.00 0.00 C +ATOM 31 CA THR A 31 263.164 244.559 259.239 1.00 0.00 C +ATOM 32 CA GLY A 32 259.954 242.568 258.742 1.00 0.00 C +ATOM 33 CA ARG A 33 257.367 243.195 261.468 1.00 0.00 C +ATOM 34 CA SER A 34 255.256 242.632 264.589 1.00 0.00 C +ATOM 35 CA SER A 35 251.975 243.363 266.383 1.00 0.00 C +ATOM 36 CA SER A 36 248.643 243.408 264.536 1.00 0.00 C +ATOM 37 CA ARG A 37 245.802 244.023 262.073 1.00 0.00 C +ATOM 38 CA ARG A 38 242.885 241.587 262.339 1.00 0.00 C +ATOM 39 CA GLY A 39 239.404 241.125 260.859 1.00 0.00 C +ATOM 40 CA SER A 40 238.874 243.216 257.719 1.00 0.00 C +ATOM 41 CA THR A 41 235.538 245.013 257.320 1.00 0.00 C +ATOM 42 CA ALA A 42 232.472 243.759 259.201 1.00 0.00 C +ATOM 43 CA SER A 43 230.527 241.531 261.603 1.00 0.00 C +ATOM 44 CA SER A 44 230.077 239.148 264.542 1.00 0.00 C +ATOM 45 CA ILE A 45 232.970 238.919 267.010 1.00 0.00 C +ATOM 46 CA ARG A 46 236.525 237.551 267.080 1.00 0.00 C +ATOM 47 CA SER A 47 238.298 237.162 270.430 1.00 0.00 C +ATOM 48 CA PHE A 48 239.886 240.449 271.519 1.00 0.00 C +ATOM 49 CA GLY A 49 240.634 244.185 271.479 1.00 0.00 C +ATOM 50 CA GLY A 50 243.793 245.916 270.238 1.00 0.00 C +ATOM 51 CA GLY A 51 244.616 248.826 272.556 1.00 0.00 C +ATOM 52 CA ASP A 52 242.188 251.723 273.037 1.00 0.00 C +ATOM 53 CA ASN A 53 239.022 253.147 271.468 1.00 0.00 C +ATOM 54 CA SER A 54 238.623 254.589 267.964 1.00 0.00 C +ATOM 55 CA SER A 55 236.499 255.742 265.018 1.00 0.00 C +ATOM 56 CA SER A 56 237.446 254.750 261.464 1.00 0.00 C +ATOM 57 CA ASN A 57 236.451 256.371 258.162 1.00 0.00 C +ATOM 58 CA TRP A 58 234.099 256.519 255.169 1.00 0.00 C +ATOM 59 CA THR A 59 235.471 256.636 251.617 1.00 0.00 C +ATOM 60 CA HIS A 60 234.529 253.924 249.112 1.00 0.00 C +ATOM 61 CA SER A 61 235.853 254.654 245.615 1.00 0.00 C +ATOM 62 CA VAL A 62 235.201 257.156 242.817 1.00 0.00 C +ATOM 63 CA HIS A 63 234.219 259.647 240.107 1.00 0.00 C +ATOM 64 CA GLU A 64 231.950 260.827 237.283 1.00 0.00 C +ATOM 65 CA THR A 65 231.166 260.425 233.576 1.00 0.00 C +ATOM 66 CA GLY A 66 230.665 263.816 231.912 1.00 0.00 C +ATOM 67 CA GLN A 67 230.958 267.348 233.309 1.00 0.00 C +ATOM 68 CA ASN A 68 230.219 268.930 236.696 1.00 0.00 C +ATOM 69 CA GLY A 69 228.732 271.307 239.275 1.00 0.00 C +ATOM 70 CA MET A 70 229.698 274.391 241.293 1.00 0.00 C +ATOM 71 CA SER A 71 231.092 273.386 244.694 1.00 0.00 C +ATOM 72 CA THR A 72 231.613 271.451 247.934 1.00 0.00 C +ATOM 73 CA SER A 73 234.395 270.477 250.349 1.00 0.00 C +ATOM 74 CA ARG A 74 235.044 272.969 253.156 1.00 0.00 C +ATOM 75 CA THR A 75 236.613 274.068 256.450 1.00 0.00 C +ATOM 76 CA PRO A 76 240.229 272.929 256.821 1.00 0.00 C +ATOM 77 CA HIS A 77 242.811 275.365 255.436 1.00 0.00 C +ATOM 78 CA LEU A 78 243.743 278.102 257.917 1.00 0.00 C +ATOM 79 CA SER A 79 241.960 281.316 258.920 1.00 0.00 C +ATOM 80 CA MET A 80 241.171 284.247 256.618 1.00 0.00 C +ATOM 81 CA PHE A 81 242.592 287.691 257.417 1.00 0.00 C +TER 82 PHE A 81 +END diff --git a/Fungi/A0A9P3H5T4/A0A9P3H5T4.dcd b/Fungi/A0A9P3H5T4/A0A9P3H5T4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..bc1a8458054afb9bfd5974cbe4c1684d6e153767 --- /dev/null +++ b/Fungi/A0A9P3H5T4/A0A9P3H5T4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fca677e0092b9450a60d410d7f6ce1c31346bcb88202cb200c2aee1b905898e9 +size 38640276 diff --git a/Fungi/A0A9P3H5T4/top.pdb b/Fungi/A0A9P3H5T4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..31567f4af18228e1737e5dfb5fcce15e2e8ede1b --- /dev/null +++ b/Fungi/A0A9P3H5T4/top.pdb @@ -0,0 +1,212 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 254.226 300.390 286.566 1.00 0.00 C +ATOM 2 CA THR A 2 250.637 299.276 287.196 1.00 0.00 C +ATOM 3 CA ALA A 3 247.697 300.520 289.275 1.00 0.00 C +ATOM 4 CA SER A 4 247.340 304.303 288.994 1.00 0.00 C +ATOM 5 CA THR A 5 245.081 307.248 289.854 1.00 0.00 C +ATOM 6 CA SER A 6 241.941 308.426 291.662 1.00 0.00 C +ATOM 7 CA THR A 7 239.145 305.876 291.223 1.00 0.00 C +ATOM 8 CA THR A 8 236.057 307.062 293.115 1.00 0.00 C +ATOM 9 CA THR A 9 234.621 308.132 296.477 1.00 0.00 C +ATOM 10 CA ASN A 10 234.087 305.367 299.044 1.00 0.00 C +ATOM 11 CA SER A 11 234.784 301.645 298.627 1.00 0.00 C +ATOM 12 CA SER A 12 234.212 299.678 301.840 1.00 0.00 C +ATOM 13 CA PRO A 13 235.541 296.249 302.837 1.00 0.00 C +ATOM 14 CA CYS A 14 237.706 293.744 300.953 1.00 0.00 C +ATOM 15 CA GLU A 15 240.835 292.257 302.540 1.00 0.00 C +ATOM 16 CA ILE A 16 243.730 294.356 303.854 1.00 0.00 C +ATOM 17 CA SER A 17 246.507 295.949 301.788 1.00 0.00 C +ATOM 18 CA ILE A 18 249.188 293.370 300.964 1.00 0.00 C +ATOM 19 CA LEU A 19 251.985 290.793 301.199 1.00 0.00 C +ATOM 20 CA PRO A 20 252.747 287.330 299.807 1.00 0.00 C +ATOM 21 CA THR A 21 252.766 283.795 301.228 1.00 0.00 C +ATOM 22 CA HIS A 22 251.411 280.395 302.289 1.00 0.00 C +ATOM 23 CA PRO A 23 248.650 277.960 303.271 1.00 0.00 C +ATOM 24 CA GLN A 24 245.139 279.072 302.296 1.00 0.00 C +ATOM 25 CA ASP A 25 242.300 281.102 303.824 1.00 0.00 C +ATOM 26 CA PRO A 26 242.460 284.746 304.926 1.00 0.00 C +ATOM 27 CA VAL A 27 242.074 287.937 306.972 1.00 0.00 C +ATOM 28 CA LEU A 28 244.137 288.931 310.017 1.00 0.00 C +ATOM 29 CA HIS A 29 246.198 285.832 310.834 1.00 0.00 C +ATOM 30 CA SER A 30 247.811 283.781 308.058 1.00 0.00 C +ATOM 31 CA TYR A 31 250.670 281.684 309.451 1.00 0.00 C +ATOM 32 CA GLN A 32 250.552 278.813 311.954 1.00 0.00 C +ATOM 33 CA SER A 33 253.837 279.068 313.867 1.00 0.00 C +ATOM 34 CA ASN A 34 257.017 277.014 314.300 1.00 0.00 C +ATOM 35 CA GLN A 35 260.243 275.726 312.735 1.00 0.00 C +ATOM 36 CA SER A 36 260.046 275.833 308.932 1.00 0.00 C +ATOM 37 CA GLU A 37 262.532 274.982 306.172 1.00 0.00 C +ATOM 38 CA GLN A 38 262.415 272.781 303.065 1.00 0.00 C +ATOM 39 CA ARG A 39 261.818 272.153 299.354 1.00 0.00 C +ATOM 40 CA GLY A 40 260.260 269.972 296.646 1.00 0.00 C +ATOM 41 CA ARG A 41 256.825 268.340 296.415 1.00 0.00 C +ATOM 42 CA SER A 42 257.095 265.801 293.588 1.00 0.00 C +ATOM 43 CA HIS A 43 254.825 263.254 291.891 1.00 0.00 C +ATOM 44 CA GLU A 44 251.761 261.471 290.495 1.00 0.00 C +ATOM 45 CA GLN A 45 248.153 262.052 289.419 1.00 0.00 C +ATOM 46 CA THR A 46 246.938 265.140 287.547 1.00 0.00 C +ATOM 47 CA PRO A 47 245.122 265.885 284.282 1.00 0.00 C +ATOM 48 CA LEU A 48 245.793 264.786 280.696 1.00 0.00 C +ATOM 49 CA ALA A 49 243.618 265.636 277.685 1.00 0.00 C +ATOM 50 CA GLN A 50 240.105 264.693 276.553 1.00 0.00 C +ATOM 51 CA VAL A 51 237.869 261.649 277.055 1.00 0.00 C +ATOM 52 CA PRO A 52 237.578 257.953 277.933 1.00 0.00 C +ATOM 53 CA GLU A 53 234.297 256.173 278.699 1.00 0.00 C +ATOM 54 CA VAL A 54 232.737 252.989 277.305 1.00 0.00 C +ATOM 55 CA HIS A 55 229.626 252.147 279.337 1.00 0.00 C +ATOM 56 CA VAL A 56 230.563 249.867 282.242 1.00 0.00 C +ATOM 57 CA GLU A 57 227.975 247.145 282.883 1.00 0.00 C +ATOM 58 CA ASP A 58 225.436 246.643 285.679 1.00 0.00 C +ATOM 59 CA PRO A 59 224.865 248.572 288.914 1.00 0.00 C +ATOM 60 CA ALA A 60 222.582 246.398 291.053 1.00 0.00 C +ATOM 61 CA SER A 61 219.288 245.131 289.617 1.00 0.00 C +ATOM 62 CA ALA A 62 215.884 245.632 291.253 1.00 0.00 C +ATOM 63 CA ALA A 63 213.520 243.061 289.730 1.00 0.00 C +ATOM 64 CA ASP A 64 210.534 243.125 287.366 1.00 0.00 C +ATOM 65 CA THR A 65 208.131 245.031 285.105 1.00 0.00 C +ATOM 66 CA GLN A 66 207.330 247.234 282.101 1.00 0.00 C +ATOM 67 CA ASN A 67 205.478 247.781 278.817 1.00 0.00 C +ATOM 68 CA VAL A 68 202.244 247.176 276.895 1.00 0.00 C +ATOM 69 CA SER A 69 203.343 246.248 273.367 1.00 0.00 C +ATOM 70 CA SER A 70 201.747 244.766 270.241 1.00 0.00 C +ATOM 71 CA PRO A 71 201.755 247.031 267.177 1.00 0.00 C +ATOM 72 CA ARG A 72 205.418 247.964 266.698 1.00 0.00 C +ATOM 73 CA ARG A 73 206.796 251.480 266.189 1.00 0.00 C +ATOM 74 CA GLY A 74 209.244 253.599 264.182 1.00 0.00 C +ATOM 75 CA THR A 75 208.303 254.929 260.738 1.00 0.00 C +ATOM 76 CA PHE A 76 211.297 254.921 258.382 1.00 0.00 C +ATOM 77 CA MET A 77 214.839 256.096 257.615 1.00 0.00 C +ATOM 78 CA ALA A 78 215.766 258.616 260.318 1.00 0.00 C +ATOM 79 CA PHE A 79 218.862 257.211 262.036 1.00 0.00 C +ATOM 80 CA ALA A 80 220.715 253.935 262.628 1.00 0.00 C +ATOM 81 CA ASP A 81 221.260 251.441 259.800 1.00 0.00 C +ATOM 82 CA ARG A 82 223.777 248.977 258.346 1.00 0.00 C +ATOM 83 CA LEU A 83 225.720 249.496 255.110 1.00 0.00 C +ATOM 84 CA ARG A 84 229.435 249.043 254.394 1.00 0.00 C +ATOM 85 CA SER A 85 233.187 248.397 254.523 1.00 0.00 C +ATOM 86 CA ARG A 86 236.789 248.457 255.764 1.00 0.00 C +ATOM 87 CA SER A 87 239.348 245.925 254.518 1.00 0.00 C +ATOM 88 CA ARG A 88 242.641 244.127 253.856 1.00 0.00 C +ATOM 89 CA SER A 89 243.097 240.456 254.771 1.00 0.00 C +ATOM 90 CA HIS A 90 242.313 237.117 256.430 1.00 0.00 C +ATOM 91 CA SER A 91 241.262 233.464 256.682 1.00 0.00 C +ATOM 92 CA ARG A 92 238.266 232.063 258.573 1.00 0.00 C +ATOM 93 CA ARG A 93 236.046 230.403 255.960 1.00 0.00 C +ATOM 94 CA GLN A 94 235.129 227.562 253.593 1.00 0.00 C +ATOM 95 CA SER A 95 233.933 224.520 251.635 1.00 0.00 C +ATOM 96 CA LEU A 96 232.528 221.072 250.827 1.00 0.00 C +ATOM 97 CA ASP A 97 235.279 218.677 249.727 1.00 0.00 C +ATOM 98 CA VAL A 98 237.889 216.803 247.679 1.00 0.00 C +ATOM 99 CA ALA A 99 241.174 215.730 246.075 1.00 0.00 C +ATOM 100 CA ASN A 100 244.638 216.784 247.258 1.00 0.00 C +ATOM 101 CA ASP A 101 246.546 219.474 249.166 1.00 0.00 C +ATOM 102 CA ASN A 102 247.745 222.606 250.975 1.00 0.00 C +ATOM 103 CA ARG A 103 249.923 224.562 253.414 1.00 0.00 C +ATOM 104 CA LEU A 104 249.117 227.722 255.383 1.00 0.00 C +ATOM 105 CA PRO A 105 248.044 231.377 255.308 1.00 0.00 C +ATOM 106 CA LEU A 106 249.340 234.182 253.079 1.00 0.00 C +ATOM 107 CA GLU A 107 251.030 237.179 251.444 1.00 0.00 C +ATOM 108 CA LEU A 108 248.608 238.790 248.983 1.00 0.00 C +ATOM 109 CA THR A 109 247.480 242.038 247.341 1.00 0.00 C +ATOM 110 CA ASN A 110 246.246 245.571 246.629 1.00 0.00 C +ATOM 111 CA THR A 111 245.438 248.975 245.120 1.00 0.00 C +ATOM 112 CA THR A 112 246.066 250.922 241.905 1.00 0.00 C +ATOM 113 CA SER A 113 249.665 250.845 240.658 1.00 0.00 C +ATOM 114 CA SER A 114 252.098 253.692 241.361 1.00 0.00 C +ATOM 115 CA ASN A 115 254.349 254.361 244.360 1.00 0.00 C +ATOM 116 CA MET A 116 255.956 255.823 247.491 1.00 0.00 C +ATOM 117 CA SER A 117 258.582 253.541 249.044 1.00 0.00 C +ATOM 118 CA SER A 118 259.770 249.921 249.050 1.00 0.00 C +ATOM 119 CA SER A 119 260.821 246.517 250.401 1.00 0.00 C +ATOM 120 CA SER A 120 262.022 244.313 253.267 1.00 0.00 C +ATOM 121 CA GLY A 121 263.048 240.678 252.769 1.00 0.00 C +ATOM 122 CA LYS A 122 264.289 237.539 251.001 1.00 0.00 C +ATOM 123 CA SER A 123 262.897 234.396 249.358 1.00 0.00 C +ATOM 124 CA LYS A 124 260.958 235.543 246.286 1.00 0.00 C +ATOM 125 CA SER A 125 260.140 239.259 246.087 1.00 0.00 C +ATOM 126 CA SER A 126 256.723 240.903 246.451 1.00 0.00 C +ATOM 127 CA ARG A 127 255.441 243.595 244.079 1.00 0.00 C +ATOM 128 CA SER A 128 255.263 246.731 241.922 1.00 0.00 C +ATOM 129 CA ARG A 129 256.695 247.306 238.439 1.00 0.00 C +ATOM 130 CA SER A 130 258.831 245.841 235.645 1.00 0.00 C +ATOM 131 CA GLN A 131 261.740 247.373 233.719 1.00 0.00 C +ATOM 132 CA SER A 132 265.171 248.799 232.877 1.00 0.00 C +ATOM 133 CA ARG A 133 268.660 249.157 234.366 1.00 0.00 C +ATOM 134 CA SER A 134 271.279 249.424 231.611 1.00 0.00 C +ATOM 135 CA ARG A 135 270.035 247.876 228.359 1.00 0.00 C +ATOM 136 CA GLY A 136 270.319 247.979 224.561 1.00 0.00 C +ATOM 137 CA THR A 137 267.185 247.136 222.566 1.00 0.00 C +ATOM 138 CA GLU A 138 268.084 246.576 218.906 1.00 0.00 C +ATOM 139 CA GLY A 139 266.497 245.446 215.632 1.00 0.00 C +ATOM 140 CA SER A 140 269.232 244.513 213.149 1.00 0.00 C +ATOM 141 CA GLY A 141 272.498 242.552 213.066 1.00 0.00 C +ATOM 142 CA PRO A 142 275.467 241.820 215.339 1.00 0.00 C +ATOM 143 CA TYR A 143 278.186 239.225 214.715 1.00 0.00 C +ATOM 144 CA ASP A 144 277.723 236.526 212.066 1.00 0.00 C +ATOM 145 CA ASP A 145 276.475 234.737 208.942 1.00 0.00 C +ATOM 146 CA VAL A 146 274.073 232.271 207.310 1.00 0.00 C +ATOM 147 CA ILE A 147 270.945 230.475 206.084 1.00 0.00 C +ATOM 148 CA ARG A 148 267.407 229.341 206.929 1.00 0.00 C +ATOM 149 CA ALA A 149 264.397 230.799 205.102 1.00 0.00 C +ATOM 150 CA GLN A 150 260.606 230.454 204.962 1.00 0.00 C +ATOM 151 CA ASP A 151 259.452 233.616 203.177 1.00 0.00 C +ATOM 152 CA ALA A 152 257.527 233.306 199.903 1.00 0.00 C +ATOM 153 CA PHE A 153 258.465 235.254 196.766 1.00 0.00 C +ATOM 154 CA MET A 154 260.991 238.090 197.070 1.00 0.00 C +ATOM 155 CA GLU A 155 263.779 240.675 196.813 1.00 0.00 C +ATOM 156 CA ARG A 156 262.702 243.823 194.957 1.00 0.00 C +ATOM 157 CA LEU A 157 262.520 246.380 192.138 1.00 0.00 C +ATOM 158 CA ARG A 158 265.939 247.826 191.280 1.00 0.00 C +ATOM 159 CA GLU A 159 269.250 249.710 191.364 1.00 0.00 C +ATOM 160 CA GLU A 160 272.754 250.870 190.421 1.00 0.00 C +ATOM 161 CA GLU A 161 273.839 248.737 187.456 1.00 0.00 C +ATOM 162 CA GLU A 162 271.052 248.313 184.893 1.00 0.00 C +ATOM 163 CA ARG A 163 268.536 245.479 184.503 1.00 0.00 C +ATOM 164 CA THR A 164 266.779 242.841 182.389 1.00 0.00 C +ATOM 165 CA HIS A 165 265.603 239.353 183.372 1.00 0.00 C +ATOM 166 CA ALA A 166 268.369 237.949 185.585 1.00 0.00 C +ATOM 167 CA THR A 167 269.595 234.698 187.148 1.00 0.00 C +ATOM 168 CA HIS A 168 272.622 233.492 189.122 1.00 0.00 C +ATOM 169 CA ASN A 169 272.715 229.856 190.257 1.00 0.00 C +ATOM 170 CA VAL A 170 272.086 226.703 188.213 1.00 0.00 C +ATOM 171 CA ASP A 171 268.493 225.480 188.548 1.00 0.00 C +ATOM 172 CA GLY A 172 268.122 222.721 191.149 1.00 0.00 C +ATOM 173 CA ILE A 173 268.136 221.973 194.885 1.00 0.00 C +ATOM 174 CA PRO A 174 265.567 224.240 196.552 1.00 0.00 C +ATOM 175 CA LEU A 175 263.008 224.632 199.347 1.00 0.00 C +ATOM 176 CA LYS A 176 259.717 224.956 201.239 1.00 0.00 C +ATOM 177 CA HIS A 177 257.243 222.162 202.003 1.00 0.00 C +ATOM 178 CA ALA A 178 253.437 222.330 201.934 1.00 0.00 C +ATOM 179 CA SER A 179 251.656 220.712 204.888 1.00 0.00 C +ATOM 180 CA ARG A 180 252.886 220.188 208.456 1.00 0.00 C +ATOM 181 CA SER A 181 255.090 223.130 209.457 1.00 0.00 C +ATOM 182 CA ARG A 182 258.100 223.186 211.793 1.00 0.00 C +ATOM 183 CA THR A 183 259.897 226.446 212.607 1.00 0.00 C +ATOM 184 CA SER A 184 258.078 229.695 213.412 1.00 0.00 C +ATOM 185 CA SER A 185 257.973 233.468 213.929 1.00 0.00 C +ATOM 186 CA PRO A 186 260.203 236.511 214.465 1.00 0.00 C +ATOM 187 CA SER A 187 260.407 238.918 217.411 1.00 0.00 C +ATOM 188 CA ARG A 188 259.612 238.006 221.024 1.00 0.00 C +ATOM 189 CA GLY A 189 257.909 234.601 220.886 1.00 0.00 C +ATOM 190 CA SER A 190 257.537 230.834 221.321 1.00 0.00 C +ATOM 191 CA ARG A 191 257.659 227.048 221.729 1.00 0.00 C +ATOM 192 CA ARG A 192 260.521 225.220 220.002 1.00 0.00 C +ATOM 193 CA SER A 193 263.973 224.470 218.574 1.00 0.00 C +ATOM 194 CA SER A 194 267.147 225.227 220.541 1.00 0.00 C +ATOM 195 CA ILE A 195 267.062 226.580 224.101 1.00 0.00 C +ATOM 196 CA SER A 196 265.548 228.804 226.799 1.00 0.00 C +ATOM 197 CA GLN A 197 263.694 231.642 225.061 1.00 0.00 C +ATOM 198 CA ALA A 198 265.306 235.090 225.237 1.00 0.00 C +ATOM 199 CA LEU A 199 268.825 236.210 226.174 1.00 0.00 C +ATOM 200 CA GLY A 200 272.552 236.967 226.402 1.00 0.00 C +ATOM 201 CA LEU A 201 274.848 239.568 224.828 1.00 0.00 C +ATOM 202 CA GLU A 202 274.937 239.250 221.032 1.00 0.00 C +ATOM 203 CA LYS A 203 274.773 235.541 220.178 1.00 0.00 C +ATOM 204 CA PRO A 204 274.037 231.802 220.200 1.00 0.00 C +ATOM 205 CA LEU A 205 272.022 228.816 218.960 1.00 0.00 C +ATOM 206 CA LEU A 206 272.433 225.990 216.438 1.00 0.00 C +ATOM 207 CA SER A 207 273.490 222.516 215.285 1.00 0.00 C +ATOM 208 CA PHE A 208 276.049 219.785 215.999 1.00 0.00 C +TER 209 PHE A 208 +END diff --git a/Fungi/A0A9P4GQU4/A0A9P4GQU4.dcd b/Fungi/A0A9P4GQU4/A0A9P4GQU4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..7507c6dde8a17256c081a383083f0c8e976c1659 --- /dev/null +++ b/Fungi/A0A9P4GQU4/A0A9P4GQU4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4978623153c167945eec3df6c8470f8d0d601a1a3a849abb764c4c33a7e08258 +size 14720276 diff --git a/Fungi/A0A9P4GQU4/top.pdb b/Fungi/A0A9P4GQU4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a1ebea94d43c8c99bc58f347e422b70b2afb9af6 --- /dev/null +++ b/Fungi/A0A9P4GQU4/top.pdb @@ -0,0 +1,120 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 204.897 225.614 298.285 1.00 0.00 C +ATOM 2 CA SER A 2 205.102 222.255 296.497 1.00 0.00 C +ATOM 3 CA ASN A 3 207.763 219.990 294.979 1.00 0.00 C +ATOM 4 CA SER A 4 210.782 221.964 293.750 1.00 0.00 C +ATOM 5 CA SER A 5 214.305 223.145 292.907 1.00 0.00 C +ATOM 6 CA SER A 6 216.428 225.094 295.399 1.00 0.00 C +ATOM 7 CA THR A 7 218.282 223.219 298.149 1.00 0.00 C +ATOM 8 CA PHE A 8 221.328 220.931 298.059 1.00 0.00 C +ATOM 9 CA GLN A 9 224.742 220.381 296.460 1.00 0.00 C +ATOM 10 CA SER A 10 224.894 218.901 292.952 1.00 0.00 C +ATOM 11 CA PHE A 11 223.783 220.127 289.520 1.00 0.00 C +ATOM 12 CA SER A 12 224.866 218.538 286.231 1.00 0.00 C +ATOM 13 CA THR A 13 228.019 216.424 285.905 1.00 0.00 C +ATOM 14 CA SER A 14 230.934 214.465 287.382 1.00 0.00 C +ATOM 15 CA PHE A 15 233.600 211.872 288.210 1.00 0.00 C +ATOM 16 CA SER A 16 236.489 213.001 290.421 1.00 0.00 C +ATOM 17 CA SER A 17 239.115 215.189 288.738 1.00 0.00 C +ATOM 18 CA SER A 18 241.136 217.611 286.602 1.00 0.00 C +ATOM 19 CA SER A 19 242.088 220.511 284.322 1.00 0.00 C +ATOM 20 CA VAL A 20 241.974 224.052 282.920 1.00 0.00 C +ATOM 21 CA ASN A 21 239.321 225.027 280.364 1.00 0.00 C +ATOM 22 CA GLY A 22 238.794 224.910 276.593 1.00 0.00 C +ATOM 23 CA GLN A 23 237.417 222.866 273.687 1.00 0.00 C +ATOM 24 CA THR A 24 234.365 221.123 272.215 1.00 0.00 C +ATOM 25 CA THR A 25 231.762 218.341 272.203 1.00 0.00 C +ATOM 26 CA SER A 26 233.398 214.907 271.974 1.00 0.00 C +ATOM 27 CA HIS A 27 234.353 212.489 269.189 1.00 0.00 C +ATOM 28 CA SER A 28 231.430 211.198 267.113 1.00 0.00 C +ATOM 29 CA GLU A 29 232.413 211.487 263.444 1.00 0.00 C +ATOM 30 CA SER A 30 231.895 209.977 259.984 1.00 0.00 C +ATOM 31 CA THR A 31 234.606 207.431 259.155 1.00 0.00 C +ATOM 32 CA TYR A 32 238.331 207.583 259.938 1.00 0.00 C +ATOM 33 CA SER A 33 239.557 211.187 259.783 1.00 0.00 C +ATOM 34 CA ASP A 34 240.013 212.598 256.273 1.00 0.00 C +ATOM 35 CA PRO A 35 238.822 212.942 252.670 1.00 0.00 C +ATOM 36 CA SER A 36 239.602 215.024 249.576 1.00 0.00 C +ATOM 37 CA GLY A 37 239.086 218.645 248.509 1.00 0.00 C +ATOM 38 CA THR A 38 237.935 222.276 248.458 1.00 0.00 C +ATOM 39 CA ARG A 39 240.422 225.097 247.847 1.00 0.00 C +ATOM 40 CA VAL A 40 244.116 225.289 246.936 1.00 0.00 C +ATOM 41 CA HIS A 41 247.156 224.345 244.842 1.00 0.00 C +ATOM 42 CA ARG A 42 248.472 225.462 241.446 1.00 0.00 C +ATOM 43 CA THR A 43 249.987 227.967 239.006 1.00 0.00 C +ATOM 44 CA SER A 44 250.350 226.860 235.379 1.00 0.00 C +ATOM 45 CA GLN A 45 253.006 228.043 232.917 1.00 0.00 C +ATOM 46 CA GLU A 46 255.413 230.918 233.591 1.00 0.00 C +ATOM 47 CA PRO A 47 254.009 234.407 234.204 1.00 0.00 C +ATOM 48 CA GLY A 48 252.512 235.273 237.599 1.00 0.00 C +ATOM 49 CA GLN A 49 252.881 239.010 238.242 1.00 0.00 C +ATOM 50 CA ALA A 50 254.142 240.607 241.464 1.00 0.00 C +ATOM 51 CA ALA A 51 255.278 243.126 244.087 1.00 0.00 C +ATOM 52 CA ARG A 52 258.323 241.728 245.901 1.00 0.00 C +ATOM 53 CA GLU A 53 261.321 242.533 248.110 1.00 0.00 C +ATOM 54 CA GLU A 54 262.591 245.626 249.935 1.00 0.00 C +ATOM 55 CA ARG A 55 264.758 248.629 249.035 1.00 0.00 C +ATOM 56 CA PHE A 56 267.886 249.563 247.071 1.00 0.00 C +ATOM 57 CA GLU A 57 270.697 252.134 246.995 1.00 0.00 C +ATOM 58 CA VAL A 58 270.271 255.756 245.892 1.00 0.00 C +ATOM 59 CA ASP A 59 269.438 257.572 242.648 1.00 0.00 C +ATOM 60 CA HIS A 60 267.175 260.127 240.954 1.00 0.00 C +ATOM 61 CA SER A 61 268.220 262.872 238.528 1.00 0.00 C +ATOM 62 CA GLY A 62 270.858 263.580 235.872 1.00 0.00 C +ATOM 63 CA ARG A 63 269.093 265.647 233.202 1.00 0.00 C +ATOM 64 CA ARG A 64 266.310 268.006 234.301 1.00 0.00 C +ATOM 65 CA VAL A 65 263.705 268.362 237.058 1.00 0.00 C +ATOM 66 CA LYS A 66 262.310 268.207 240.600 1.00 0.00 C +ATOM 67 CA GLY A 67 263.630 265.877 243.310 1.00 0.00 C +ATOM 68 CA ALA A 68 263.316 262.713 245.409 1.00 0.00 C +ATOM 69 CA GLN A 69 260.395 260.388 246.170 1.00 0.00 C +ATOM 70 CA ALA A 70 258.574 257.723 248.193 1.00 0.00 C +ATOM 71 CA ASP A 71 255.201 258.894 249.525 1.00 0.00 C +ATOM 72 CA ASP A 72 252.939 260.964 247.263 1.00 0.00 C +ATOM 73 CA GLN A 73 253.581 260.689 243.518 1.00 0.00 C +ATOM 74 CA LYS A 74 251.911 261.468 240.183 1.00 0.00 C +ATOM 75 CA ARG A 75 251.766 265.009 238.782 1.00 0.00 C +ATOM 76 CA ILE A 76 251.584 268.452 237.161 1.00 0.00 C +ATOM 77 CA GLN A 77 252.426 268.178 233.455 1.00 0.00 C +ATOM 78 CA ASP A 78 251.504 271.282 231.447 1.00 0.00 C +ATOM 79 CA VAL A 79 249.716 272.711 228.402 1.00 0.00 C +ATOM 80 CA THR A 80 246.878 273.162 225.900 1.00 0.00 C +ATOM 81 CA ASP A 81 246.892 272.898 222.099 1.00 0.00 C +ATOM 82 CA GLU A 82 245.133 275.804 220.375 1.00 0.00 C +ATOM 83 CA GLU A 83 243.077 278.960 219.802 1.00 0.00 C +ATOM 84 CA GLY A 84 240.612 279.149 222.701 1.00 0.00 C +ATOM 85 CA GLU A 85 239.393 278.188 226.181 1.00 0.00 C +ATOM 86 CA GLY A 86 240.589 280.240 229.160 1.00 0.00 C +ATOM 87 CA GLY A 87 242.960 278.136 231.274 1.00 0.00 C +ATOM 88 CA GLU A 88 245.751 277.564 233.804 1.00 0.00 C +ATOM 89 CA SER A 89 245.036 279.255 237.143 1.00 0.00 C +ATOM 90 CA LYS A 90 247.691 281.886 237.883 1.00 0.00 C +ATOM 91 CA ASP A 91 249.389 284.092 235.283 1.00 0.00 C +ATOM 92 CA ASP A 92 247.877 283.132 231.920 1.00 0.00 C +ATOM 93 CA GLY A 93 249.438 284.864 228.907 1.00 0.00 C +ATOM 94 CA GLN A 94 252.891 286.400 229.385 1.00 0.00 C +ATOM 95 CA ALA A 95 256.661 286.652 229.872 1.00 0.00 C +ATOM 96 CA GLN A 96 259.084 286.399 226.943 1.00 0.00 C +ATOM 97 CA ARG A 97 262.342 285.289 225.309 1.00 0.00 C +ATOM 98 CA ASP A 98 263.990 287.996 223.195 1.00 0.00 C +ATOM 99 CA ARG A 99 266.940 288.253 220.797 1.00 0.00 C +ATOM 100 CA GLU A 100 269.646 285.850 221.988 1.00 0.00 C +ATOM 101 CA TYR A 101 272.852 285.058 223.888 1.00 0.00 C +ATOM 102 CA GLU A 102 276.303 284.358 225.343 1.00 0.00 C +ATOM 103 CA GLU A 103 279.206 283.510 227.660 1.00 0.00 C +ATOM 104 CA ARG A 104 277.940 282.039 230.938 1.00 0.00 C +ATOM 105 CA ILE A 105 279.312 279.652 233.571 1.00 0.00 C +ATOM 106 CA GLU A 106 277.181 276.494 233.646 1.00 0.00 C +ATOM 107 CA GLY A 107 273.607 275.174 233.611 1.00 0.00 C +ATOM 108 CA GLU A 108 271.401 278.225 234.195 1.00 0.00 C +ATOM 109 CA TYR A 109 269.206 280.864 235.849 1.00 0.00 C +ATOM 110 CA ALA A 110 269.961 284.584 236.178 1.00 0.00 C +ATOM 111 CA LYS A 111 272.050 286.005 239.030 1.00 0.00 C +ATOM 112 CA ARG A 112 275.612 285.417 240.247 1.00 0.00 C +ATOM 113 CA GLU A 113 279.082 286.880 240.827 1.00 0.00 C +ATOM 114 CA GLY A 114 282.875 286.646 241.095 1.00 0.00 C +ATOM 115 CA GLY A 115 283.611 284.374 244.063 1.00 0.00 C +ATOM 116 CA ALA A 116 286.661 282.164 244.643 1.00 0.00 C +TER 117 ALA A 116 +END diff --git a/Fungi/A0A9P4GUG5/A0A9P4GUG5.dcd b/Fungi/A0A9P4GUG5/A0A9P4GUG5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..4b1904ac9023ade17c6a1cf999dbc8e274afa395 --- /dev/null +++ b/Fungi/A0A9P4GUG5/A0A9P4GUG5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:56165e9a9d637ce4e8452353a0b8a3bd54acd95c1da200e0b7287073cfe03551 +size 22640276 diff --git a/Fungi/A0A9P4GUG5/top.pdb b/Fungi/A0A9P4GUG5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..53ca809c5ba4e6c9e63471af703e9b50e01eeed4 --- /dev/null +++ b/Fungi/A0A9P4GUG5/top.pdb @@ -0,0 +1,186 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 299.717 205.594 227.637 1.00 0.00 C +ATOM 2 CA GLY A 2 298.612 209.211 228.100 1.00 0.00 C +ATOM 3 CA SER A 3 299.022 212.455 230.055 1.00 0.00 C +ATOM 4 CA LYS A 4 297.912 215.604 228.219 1.00 0.00 C +ATOM 5 CA SER A 5 294.329 215.524 226.926 1.00 0.00 C +ATOM 6 CA THR A 6 292.747 212.347 228.312 1.00 0.00 C +ATOM 7 CA MET A 7 291.746 211.540 231.898 1.00 0.00 C +ATOM 8 CA ARG A 8 291.609 214.785 233.890 1.00 0.00 C +ATOM 9 CA GLY A 9 294.544 214.824 236.319 1.00 0.00 C +ATOM 10 CA GLU A 10 294.851 217.787 238.695 1.00 0.00 C +ATOM 11 CA LYS A 11 293.013 220.314 240.875 1.00 0.00 C +ATOM 12 CA PRO A 12 290.745 223.293 241.580 1.00 0.00 C +ATOM 13 CA GLY A 13 289.746 224.827 244.921 1.00 0.00 C +ATOM 14 CA TYR A 14 291.917 227.281 246.866 1.00 0.00 C +ATOM 15 CA GLN A 15 293.742 225.305 249.565 1.00 0.00 C +ATOM 16 CA LYS A 16 291.849 222.080 250.293 1.00 0.00 C +ATOM 17 CA GLU A 17 291.597 221.547 254.057 1.00 0.00 C +ATOM 18 CA GLY A 18 293.004 224.272 256.318 1.00 0.00 C +ATOM 19 CA GLU A 19 296.129 225.480 258.132 1.00 0.00 C +ATOM 20 CA LEU A 20 298.534 226.303 260.971 1.00 0.00 C +ATOM 21 CA ASP A 21 300.715 228.769 262.888 1.00 0.00 C +ATOM 22 CA LYS A 22 300.154 228.813 266.656 1.00 0.00 C +ATOM 23 CA ILE A 23 297.283 226.434 267.440 1.00 0.00 C +ATOM 24 CA GLN A 24 295.769 223.091 266.416 1.00 0.00 C +ATOM 25 CA GLY A 25 292.106 222.170 265.917 1.00 0.00 C +ATOM 26 CA ILE A 26 288.729 221.688 264.219 1.00 0.00 C +ATOM 27 CA ASP A 27 286.063 219.886 262.178 1.00 0.00 C +ATOM 28 CA LEU A 28 282.340 220.529 261.687 1.00 0.00 C +ATOM 29 CA GLY A 29 279.219 222.713 261.718 1.00 0.00 C +ATOM 30 CA GLU A 30 275.757 223.632 260.419 1.00 0.00 C +ATOM 31 CA ILE A 31 275.804 226.736 258.210 1.00 0.00 C +ATOM 32 CA SER A 32 277.360 230.037 259.304 1.00 0.00 C +ATOM 33 CA LYS A 33 278.730 232.892 257.186 1.00 0.00 C +ATOM 34 CA GLY A 34 278.622 236.270 255.428 1.00 0.00 C +ATOM 35 CA LYS A 35 276.381 238.628 253.443 1.00 0.00 C +ATOM 36 CA ARG A 36 273.658 240.685 255.136 1.00 0.00 C +ATOM 37 CA LYS A 37 273.284 243.179 257.992 1.00 0.00 C +ATOM 38 CA ARG A 38 271.146 246.321 257.722 1.00 0.00 C +ATOM 39 CA GLY A 39 267.831 246.186 255.849 1.00 0.00 C +ATOM 40 CA GLY A 40 265.132 243.569 255.233 1.00 0.00 C +ATOM 41 CA ASN A 41 261.536 244.510 256.068 1.00 0.00 C +ATOM 42 CA PRO A 42 258.981 243.233 253.546 1.00 0.00 C +ATOM 43 CA ARG A 43 256.152 244.218 251.192 1.00 0.00 C +ATOM 44 CA ARG A 44 254.215 245.184 248.056 1.00 0.00 C +ATOM 45 CA ARG A 45 250.505 244.684 247.349 1.00 0.00 C +ATOM 46 CA PRO A 46 248.008 246.295 249.734 1.00 0.00 C +ATOM 47 CA LYS A 47 246.928 249.450 251.576 1.00 0.00 C +ATOM 48 CA ALA A 48 246.567 250.542 255.209 1.00 0.00 C +ATOM 49 CA GLU A 49 244.677 249.570 258.371 1.00 0.00 C +ATOM 50 CA SER A 50 245.318 250.456 262.021 1.00 0.00 C +ATOM 51 CA THR A 51 247.246 253.634 262.855 1.00 0.00 C +ATOM 52 CA LYS A 52 244.792 256.504 262.350 1.00 0.00 C +ATOM 53 CA GLN A 53 245.948 259.712 264.051 1.00 0.00 C +ATOM 54 CA ASP A 54 243.591 262.580 264.907 1.00 0.00 C +ATOM 55 CA SER A 55 241.851 265.536 266.566 1.00 0.00 C +ATOM 56 CA ASP A 56 240.198 268.416 268.433 1.00 0.00 C +ATOM 57 CA SER A 57 241.042 271.108 270.994 1.00 0.00 C +ATOM 58 CA GLY A 58 242.676 274.127 272.647 1.00 0.00 C +ATOM 59 CA ALA A 59 245.985 275.948 272.146 1.00 0.00 C +ATOM 60 CA ALA A 60 249.061 273.854 271.330 1.00 0.00 C +ATOM 61 CA GLU A 61 252.115 274.198 269.078 1.00 0.00 C +ATOM 62 CA ASN A 62 255.711 272.949 269.244 1.00 0.00 C +ATOM 63 CA THR A 63 258.896 274.220 267.584 1.00 0.00 C +ATOM 64 CA ILE A 64 260.518 271.355 265.667 1.00 0.00 C +ATOM 65 CA ALA A 65 263.527 269.872 263.860 1.00 0.00 C +ATOM 66 CA ARG A 66 263.238 270.981 260.226 1.00 0.00 C +ATOM 67 CA LYS A 67 262.334 270.918 256.526 1.00 0.00 C +ATOM 68 CA LYS A 68 260.337 268.506 254.354 1.00 0.00 C +ATOM 69 CA PRO A 69 258.669 269.495 251.074 1.00 0.00 C +ATOM 70 CA LEU A 70 255.295 268.894 249.410 1.00 0.00 C +ATOM 71 CA ASP A 71 253.850 271.035 246.609 1.00 0.00 C +ATOM 72 CA ILE A 72 251.987 274.194 247.642 1.00 0.00 C +ATOM 73 CA ALA A 73 252.954 277.772 248.528 1.00 0.00 C +ATOM 74 CA THR A 74 251.673 281.360 248.561 1.00 0.00 C +ATOM 75 CA PRO A 75 250.376 283.351 245.583 1.00 0.00 C +ATOM 76 CA GLU A 76 249.385 281.625 242.334 1.00 0.00 C +ATOM 77 CA GLY A 77 248.672 281.926 238.604 1.00 0.00 C +ATOM 78 CA ILE A 78 247.178 278.824 236.972 1.00 0.00 C +ATOM 79 CA GLU A 79 246.972 275.030 236.693 1.00 0.00 C +ATOM 80 CA ASP A 80 246.157 272.037 238.905 1.00 0.00 C +ATOM 81 CA HIS A 81 245.581 272.330 242.660 1.00 0.00 C +ATOM 82 CA GLY A 82 242.814 270.262 244.266 1.00 0.00 C +ATOM 83 CA ARG A 83 243.368 269.903 248.018 1.00 0.00 C +ATOM 84 CA ARG A 84 243.370 266.555 249.836 1.00 0.00 C +ATOM 85 CA LYS A 85 245.084 263.241 249.064 1.00 0.00 C +ATOM 86 CA ASN A 86 246.743 262.267 252.352 1.00 0.00 C +ATOM 87 CA GLU A 87 243.845 261.790 254.779 1.00 0.00 C +ATOM 88 CA SER A 88 240.227 262.350 255.835 1.00 0.00 C +ATOM 89 CA GLU A 89 238.502 263.339 259.084 1.00 0.00 C +ATOM 90 CA ARG A 90 239.807 266.615 260.527 1.00 0.00 C +ATOM 91 CA GLU A 91 242.046 268.896 258.453 1.00 0.00 C +ATOM 92 CA ALA A 92 245.044 269.506 256.183 1.00 0.00 C +ATOM 93 CA THR A 93 248.420 270.110 257.842 1.00 0.00 C +ATOM 94 CA GLY A 94 249.784 267.858 260.597 1.00 0.00 C +ATOM 95 CA ARG A 95 251.695 269.273 263.573 1.00 0.00 C +ATOM 96 CA GLU A 96 254.585 271.740 263.296 1.00 0.00 C +ATOM 97 CA LYS A 97 253.034 275.142 262.566 1.00 0.00 C +ATOM 98 CA LYS A 98 252.790 278.724 261.291 1.00 0.00 C +ATOM 99 CA VAL A 99 252.183 280.848 258.186 1.00 0.00 C +ATOM 100 CA MET A 100 248.674 281.834 257.076 1.00 0.00 C +ATOM 101 CA ASP A 101 247.111 280.280 253.968 1.00 0.00 C +ATOM 102 CA GLU A 102 245.106 277.052 253.702 1.00 0.00 C +ATOM 103 CA LYS A 103 243.592 275.941 250.387 1.00 0.00 C +ATOM 104 CA ARG A 104 242.997 278.941 248.115 1.00 0.00 C +ATOM 105 CA TYR A 105 242.402 279.503 244.393 1.00 0.00 C +ATOM 106 CA ARG A 106 240.640 282.631 243.118 1.00 0.00 C +ATOM 107 CA LYS A 107 239.661 286.292 243.508 1.00 0.00 C +ATOM 108 CA HIS A 108 240.363 288.907 246.190 1.00 0.00 C +ATOM 109 CA GLN A 109 238.405 288.580 249.442 1.00 0.00 C +ATOM 110 CA LYS A 110 237.452 287.057 252.802 1.00 0.00 C +ATOM 111 CA ASN A 111 235.441 283.911 252.043 1.00 0.00 C +ATOM 112 CA ASN A 112 236.597 282.401 248.742 1.00 0.00 C +ATOM 113 CA GLU A 113 233.624 280.374 247.490 1.00 0.00 C +ATOM 114 CA ARG A 114 230.074 281.734 247.235 1.00 0.00 C +ATOM 115 CA ARG A 115 226.524 281.727 245.851 1.00 0.00 C +ATOM 116 CA ALA A 116 224.210 280.105 243.295 1.00 0.00 C +ATOM 117 CA ALA A 117 224.622 277.780 240.304 1.00 0.00 C +ATOM 118 CA LYS A 118 226.831 274.887 241.428 1.00 0.00 C +ATOM 119 CA ARG A 119 228.409 271.973 239.547 1.00 0.00 C +ATOM 120 CA GLN A 120 227.609 269.893 236.457 1.00 0.00 C +ATOM 121 CA GLY A 121 225.078 267.478 234.948 1.00 0.00 C +ATOM 122 CA ASN A 122 221.497 266.504 234.083 1.00 0.00 C +ATOM 123 CA ALA A 123 217.895 266.100 235.257 1.00 0.00 C +ATOM 124 CA ILE A 124 214.760 267.776 236.626 1.00 0.00 C +ATOM 125 CA LEU A 125 214.193 271.530 236.939 1.00 0.00 C +ATOM 126 CA GLU A 126 214.016 275.325 236.644 1.00 0.00 C +ATOM 127 CA LYS A 127 216.453 278.109 237.554 1.00 0.00 C +ATOM 128 CA GLN A 128 217.543 279.540 240.912 1.00 0.00 C +ATOM 129 CA GLY A 129 217.868 280.116 244.664 1.00 0.00 C +ATOM 130 CA ILE A 130 216.035 277.311 246.477 1.00 0.00 C +ATOM 131 CA SER A 131 212.432 276.566 245.484 1.00 0.00 C +ATOM 132 CA SER A 132 211.678 272.938 244.598 1.00 0.00 C +ATOM 133 CA GLY A 133 213.594 269.831 243.507 1.00 0.00 C +ATOM 134 CA GLU A 134 216.413 268.835 245.869 1.00 0.00 C +ATOM 135 CA GLN A 135 218.323 267.734 248.976 1.00 0.00 C +ATOM 136 CA THR A 136 219.206 264.034 248.764 1.00 0.00 C +ATOM 137 CA SER A 137 221.478 262.381 251.337 1.00 0.00 C +ATOM 138 CA THR A 138 223.478 259.161 250.957 1.00 0.00 C +ATOM 139 CA SER A 139 225.513 258.133 247.904 1.00 0.00 C +ATOM 140 CA GLY A 140 225.340 257.255 244.201 1.00 0.00 C +ATOM 141 CA ASP A 141 227.010 254.601 242.036 1.00 0.00 C +ATOM 142 CA ALA A 142 229.902 252.614 240.552 1.00 0.00 C +ATOM 143 CA THR A 143 230.142 250.352 237.495 1.00 0.00 C +ATOM 144 CA THR A 144 228.643 246.872 237.894 1.00 0.00 C +ATOM 145 CA SER A 145 225.945 244.516 236.596 1.00 0.00 C +ATOM 146 CA GLN A 146 222.166 244.654 237.057 1.00 0.00 C +ATOM 147 CA GLY A 147 221.101 244.565 240.714 1.00 0.00 C +ATOM 148 CA SER A 148 217.653 244.525 242.333 1.00 0.00 C +ATOM 149 CA GLY A 149 215.015 246.017 244.642 1.00 0.00 C +ATOM 150 CA LYS A 150 214.042 246.129 248.324 1.00 0.00 C +ATOM 151 CA ASP A 151 215.232 243.955 251.218 1.00 0.00 C +ATOM 152 CA GLU A 152 218.617 243.867 252.964 1.00 0.00 C +ATOM 153 CA GLU A 153 220.795 240.778 253.442 1.00 0.00 C +ATOM 154 CA ALA A 154 221.931 237.226 254.223 1.00 0.00 C +ATOM 155 CA VAL A 155 220.789 234.023 252.505 1.00 0.00 C +ATOM 156 CA ASP A 156 219.011 230.721 253.178 1.00 0.00 C +ATOM 157 CA ASP A 157 219.105 227.192 251.744 1.00 0.00 C +ATOM 158 CA ASP A 158 222.246 225.363 250.603 1.00 0.00 C +ATOM 159 CA ASP A 159 225.585 226.788 251.758 1.00 0.00 C +ATOM 160 CA ASP A 160 229.174 225.891 250.846 1.00 0.00 C +ATOM 161 CA PHE A 161 231.846 226.031 248.133 1.00 0.00 C +ATOM 162 CA ASP A 162 233.106 222.491 247.501 1.00 0.00 C +ATOM 163 CA ILE A 163 236.479 222.795 245.756 1.00 0.00 C +ATOM 164 CA ASP A 164 238.496 220.198 243.831 1.00 0.00 C +ATOM 165 CA ILE A 165 240.828 217.819 245.680 1.00 0.00 C +ATOM 166 CA TYR A 166 239.147 216.472 248.823 1.00 0.00 C +ATOM 167 CA GLY A 167 241.752 214.873 251.096 1.00 0.00 C +ATOM 168 CA ASP A 168 242.718 211.509 249.590 1.00 0.00 C +ATOM 169 CA GLU A 169 246.033 211.137 247.750 1.00 0.00 C +ATOM 170 CA GLU A 170 248.616 208.404 248.362 1.00 0.00 C +ATOM 171 CA THR A 171 248.954 204.646 247.830 1.00 0.00 C +ATOM 172 CA ARG A 172 251.852 202.206 248.237 1.00 0.00 C +ATOM 173 CA ARG A 173 255.339 203.739 248.169 1.00 0.00 C +ATOM 174 CA LYS A 174 258.852 204.417 249.477 1.00 0.00 C +ATOM 175 CA TYR A 175 261.143 205.184 246.531 1.00 0.00 C +ATOM 176 CA GLY A 176 260.724 206.014 242.836 1.00 0.00 C +ATOM 177 CA LYS A 177 261.439 209.732 242.410 1.00 0.00 C +ATOM 178 CA VAL A 178 259.075 212.569 241.471 1.00 0.00 C +ATOM 179 CA ARG A 179 261.013 215.759 242.234 1.00 0.00 C +ATOM 180 CA LYS A 180 259.337 219.040 241.264 1.00 0.00 C +ATOM 181 CA PHE A 181 255.822 218.870 239.803 1.00 0.00 C +ATOM 182 CA ALA A 182 254.690 215.529 238.363 1.00 0.00 C +TER 183 ALA A 182 +END diff --git a/Fungi/A0A9P4LUX0/A0A9P4LUX0.dcd b/Fungi/A0A9P4LUX0/A0A9P4LUX0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f8b876f0707f681d155f757f88b8e55f5799b104 --- /dev/null +++ b/Fungi/A0A9P4LUX0/A0A9P4LUX0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5a2046088d57510775ab3057f651c4888dd92bfa82daa78325e82a4782838eb5 +size 23480276 diff --git a/Fungi/A0A9P4LUX0/top.pdb b/Fungi/A0A9P4LUX0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3bf80675659cee2cdedf5152f2aa642b8f135e96 --- /dev/null +++ b/Fungi/A0A9P4LUX0/top.pdb @@ -0,0 +1,193 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 284.017 211.877 294.904 1.00 0.00 C +ATOM 2 CA ALA A 2 282.799 209.864 291.907 1.00 0.00 C +ATOM 3 CA PHE A 3 284.927 207.800 289.513 1.00 0.00 C +ATOM 4 CA ARG A 4 283.764 206.277 286.220 1.00 0.00 C +ATOM 5 CA GLU A 5 283.377 204.136 283.092 1.00 0.00 C +ATOM 6 CA ARG A 6 280.983 203.837 280.143 1.00 0.00 C +ATOM 7 CA VAL A 7 282.179 204.325 276.558 1.00 0.00 C +ATOM 8 CA LYS A 8 284.798 205.774 274.200 1.00 0.00 C +ATOM 9 CA ARG A 9 287.147 205.502 271.213 1.00 0.00 C +ATOM 10 CA VAL A 10 288.150 202.944 268.574 1.00 0.00 C +ATOM 11 CA LEU A 11 286.144 202.844 265.336 1.00 0.00 C +ATOM 12 CA GLY A 12 283.128 202.044 263.150 1.00 0.00 C +ATOM 13 CA ARG A 13 280.646 200.159 265.342 1.00 0.00 C +ATOM 14 CA GLY A 14 279.957 202.241 268.457 1.00 0.00 C +ATOM 15 CA SER A 15 281.354 205.786 268.461 1.00 0.00 C +ATOM 16 CA SER A 16 279.774 208.838 270.105 1.00 0.00 C +ATOM 17 CA SER A 17 279.188 212.602 270.184 1.00 0.00 C +ATOM 18 CA ASN A 18 280.268 215.753 272.033 1.00 0.00 C +ATOM 19 CA SER A 19 283.435 217.196 273.585 1.00 0.00 C +ATOM 20 CA SER A 20 285.920 219.257 275.607 1.00 0.00 C +ATOM 21 CA THR A 21 284.985 220.399 279.120 1.00 0.00 C +ATOM 22 CA SER A 22 282.581 222.582 281.113 1.00 0.00 C +ATOM 23 CA SER A 23 282.913 224.222 284.536 1.00 0.00 C +ATOM 24 CA LEU A 24 280.799 222.139 286.925 1.00 0.00 C +ATOM 25 CA SER A 25 279.566 218.545 287.199 1.00 0.00 C +ATOM 26 CA LYS A 26 282.130 216.272 285.532 1.00 0.00 C +ATOM 27 CA GLN A 27 282.864 213.379 283.163 1.00 0.00 C +ATOM 28 CA SER A 28 281.826 211.815 279.848 1.00 0.00 C +ATOM 29 CA THR A 29 280.010 210.674 276.699 1.00 0.00 C +ATOM 30 CA HIS A 30 276.395 210.883 275.515 1.00 0.00 C +ATOM 31 CA ASN A 31 274.693 214.290 275.397 1.00 0.00 C +ATOM 32 CA ARG A 32 271.547 214.967 273.358 1.00 0.00 C +ATOM 33 CA ARG A 33 271.144 212.165 270.808 1.00 0.00 C +ATOM 34 CA ASP A 34 268.312 209.812 271.785 1.00 0.00 C +ATOM 35 CA SER A 35 266.296 210.511 274.942 1.00 0.00 C +ATOM 36 CA ASN A 36 266.837 209.378 278.539 1.00 0.00 C +ATOM 37 CA VAL A 37 264.919 206.185 279.343 1.00 0.00 C +ATOM 38 CA TYR A 38 262.087 204.539 281.289 1.00 0.00 C +ATOM 39 CA GLN A 39 258.672 206.038 282.070 1.00 0.00 C +ATOM 40 CA PRO A 40 256.552 207.656 279.349 1.00 0.00 C +ATOM 41 CA GLY A 41 258.849 210.074 277.507 1.00 0.00 C +ATOM 42 CA GLU A 42 258.701 213.629 276.144 1.00 0.00 C +ATOM 43 CA LYS A 43 257.630 216.589 273.999 1.00 0.00 C +ATOM 44 CA MET A 44 256.043 219.729 272.536 1.00 0.00 C +ATOM 45 CA PRO A 45 254.370 220.258 269.154 1.00 0.00 C +ATOM 46 CA PRO A 46 251.071 221.876 268.145 1.00 0.00 C +ATOM 47 CA MET A 47 247.785 221.718 266.224 1.00 0.00 C +ATOM 48 CA LYS A 48 245.748 223.417 263.489 1.00 0.00 C +ATOM 49 CA TYR A 49 242.477 224.552 265.077 1.00 0.00 C +ATOM 50 CA ARG A 50 239.573 226.985 265.483 1.00 0.00 C +ATOM 51 CA ARG A 51 237.878 227.163 262.076 1.00 0.00 C +ATOM 52 CA PRO A 52 239.525 226.005 258.840 1.00 0.00 C +ATOM 53 CA VAL A 53 242.181 223.300 258.460 1.00 0.00 C +ATOM 54 CA GLN A 54 243.630 222.018 255.178 1.00 0.00 C +ATOM 55 CA LYS A 55 242.790 223.716 251.872 1.00 0.00 C +ATOM 56 CA GLU A 56 240.812 226.348 249.955 1.00 0.00 C +ATOM 57 CA HIS A 57 243.338 228.491 248.072 1.00 0.00 C +ATOM 58 CA LYS A 58 245.699 230.250 250.491 1.00 0.00 C +ATOM 59 CA GLU A 59 247.035 233.607 249.283 1.00 0.00 C +ATOM 60 CA LYS A 60 249.889 236.131 249.322 1.00 0.00 C +ATOM 61 CA LEU A 61 250.349 239.758 250.393 1.00 0.00 C +ATOM 62 CA GLU A 62 252.142 242.263 248.151 1.00 0.00 C +ATOM 63 CA SER A 63 251.306 243.250 244.568 1.00 0.00 C +ATOM 64 CA PHE A 64 252.136 244.658 241.126 1.00 0.00 C +ATOM 65 CA GLN A 65 249.587 247.296 240.096 1.00 0.00 C +ATOM 66 CA PHE A 66 251.026 250.500 238.621 1.00 0.00 C +ATOM 67 CA ALA A 67 249.365 252.636 235.939 1.00 0.00 C +ATOM 68 CA GLN A 68 249.544 256.310 236.933 1.00 0.00 C +ATOM 69 CA SER A 69 252.056 258.655 235.290 1.00 0.00 C +ATOM 70 CA TRP A 70 251.400 259.461 231.624 1.00 0.00 C +ATOM 71 CA ARG A 71 250.649 262.947 230.283 1.00 0.00 C +ATOM 72 CA ARG A 72 248.683 266.109 229.477 1.00 0.00 C +ATOM 73 CA LYS A 73 245.504 266.886 227.525 1.00 0.00 C +ATOM 74 CA SER A 74 241.991 265.454 227.170 1.00 0.00 C +ATOM 75 CA GLU A 75 240.931 262.101 228.636 1.00 0.00 C +ATOM 76 CA GLN A 76 242.509 258.691 228.003 1.00 0.00 C +ATOM 77 CA SER A 77 246.100 258.734 226.728 1.00 0.00 C +ATOM 78 CA GLN A 78 248.863 256.188 226.096 1.00 0.00 C +ATOM 79 CA TYR A 79 248.858 252.476 226.952 1.00 0.00 C +ATOM 80 CA SER A 80 251.670 250.101 227.937 1.00 0.00 C +ATOM 81 CA PRO A 81 255.131 250.098 229.531 1.00 0.00 C +ATOM 82 CA MET A 82 255.959 253.104 231.721 1.00 0.00 C +ATOM 83 CA GLY A 83 257.598 256.541 231.605 1.00 0.00 C +ATOM 84 CA SER A 84 259.446 257.464 228.403 1.00 0.00 C +ATOM 85 CA ARG A 85 263.005 257.122 227.088 1.00 0.00 C +ATOM 86 CA ILE A 86 266.442 258.673 226.536 1.00 0.00 C +ATOM 87 CA PRO A 87 267.094 262.398 227.000 1.00 0.00 C +ATOM 88 CA SER A 88 264.163 264.777 226.487 1.00 0.00 C +ATOM 89 CA ARG A 89 263.364 267.485 229.046 1.00 0.00 C +ATOM 90 CA MET A 90 263.570 270.786 230.936 1.00 0.00 C +ATOM 91 CA GLY A 91 263.778 270.329 234.713 1.00 0.00 C +ATOM 92 CA SER A 92 263.160 267.218 236.823 1.00 0.00 C +ATOM 93 CA MET A 93 261.009 265.951 239.701 1.00 0.00 C +ATOM 94 CA LYS A 94 262.301 262.932 241.634 1.00 0.00 C +ATOM 95 CA SER A 95 263.401 261.073 244.772 1.00 0.00 C +ATOM 96 CA ARG A 96 266.542 262.905 245.911 1.00 0.00 C +ATOM 97 CA LYS A 97 266.356 263.245 249.701 1.00 0.00 C +ATOM 98 CA SER A 98 266.361 261.098 252.849 1.00 0.00 C +ATOM 99 CA THR A 99 264.436 262.850 255.631 1.00 0.00 C +ATOM 100 CA HIS A 100 261.835 262.249 258.349 1.00 0.00 C +ATOM 101 CA ALA A 101 259.200 259.497 258.316 1.00 0.00 C +ATOM 102 CA SER A 102 258.158 257.557 261.425 1.00 0.00 C +ATOM 103 CA ARG A 103 256.968 254.556 263.449 1.00 0.00 C +ATOM 104 CA SER A 104 253.162 254.737 263.429 1.00 0.00 C +ATOM 105 CA GLN A 105 250.036 253.012 262.100 1.00 0.00 C +ATOM 106 CA VAL A 106 246.368 252.101 262.583 1.00 0.00 C +ATOM 107 CA VAL A 107 242.882 251.057 263.711 1.00 0.00 C +ATOM 108 CA GLU A 108 239.905 251.162 261.335 1.00 0.00 C +ATOM 109 CA GLY A 109 236.894 252.537 263.221 1.00 0.00 C +ATOM 110 CA ALA A 110 238.205 255.578 265.106 1.00 0.00 C +ATOM 111 CA ASP A 111 238.838 259.300 265.621 1.00 0.00 C +ATOM 112 CA ASP A 112 241.389 261.597 267.273 1.00 0.00 C +ATOM 113 CA ASP A 113 245.132 262.064 266.733 1.00 0.00 C +ATOM 114 CA THR A 114 247.376 261.685 263.677 1.00 0.00 C +ATOM 115 CA ASP A 115 246.079 261.953 260.105 1.00 0.00 C +ATOM 116 CA VAL A 116 243.719 262.361 257.142 1.00 0.00 C +ATOM 117 CA ALA A 117 244.646 263.015 253.505 1.00 0.00 C +ATOM 118 CA ASN A 118 245.362 262.390 249.816 1.00 0.00 C +ATOM 119 CA VAL A 119 243.764 262.063 246.373 1.00 0.00 C +ATOM 120 CA GLY A 120 240.650 261.718 244.204 1.00 0.00 C +ATOM 121 CA LEU A 121 237.650 262.061 241.881 1.00 0.00 C +ATOM 122 CA SER A 122 235.655 258.887 241.202 1.00 0.00 C +ATOM 123 CA PRO A 123 234.830 258.826 237.483 1.00 0.00 C +ATOM 124 CA GLN A 124 235.333 256.829 234.277 1.00 0.00 C +ATOM 125 CA ARG A 125 235.797 258.761 231.026 1.00 0.00 C +ATOM 126 CA THR A 126 233.178 261.003 229.405 1.00 0.00 C +ATOM 127 CA ASN A 127 230.526 262.756 227.305 1.00 0.00 C +ATOM 128 CA GLU A 128 227.554 263.807 225.166 1.00 0.00 C +ATOM 129 CA ASP A 129 224.316 263.577 227.161 1.00 0.00 C +ATOM 130 CA SER A 130 223.776 260.724 229.627 1.00 0.00 C +ATOM 131 CA ARG A 131 223.316 260.786 233.409 1.00 0.00 C +ATOM 132 CA TYR A 132 222.081 260.383 236.991 1.00 0.00 C +ATOM 133 CA ARG A 133 225.214 260.483 239.157 1.00 0.00 C +ATOM 134 CA PRO A 134 225.414 260.800 242.948 1.00 0.00 C +ATOM 135 CA ILE A 135 222.780 259.229 245.209 1.00 0.00 C +ATOM 136 CA ASP A 136 219.228 260.408 245.924 1.00 0.00 C +ATOM 137 CA SER A 137 216.147 262.122 247.369 1.00 0.00 C +ATOM 138 CA ALA A 138 215.382 263.272 250.920 1.00 0.00 C +ATOM 139 CA HIS A 139 215.260 266.375 253.127 1.00 0.00 C +ATOM 140 CA ALA A 140 216.689 269.612 251.715 1.00 0.00 C +ATOM 141 CA ARG A 141 219.000 271.671 253.937 1.00 0.00 C +ATOM 142 CA GLN A 142 222.656 270.693 254.369 1.00 0.00 C +ATOM 143 CA SER A 143 224.038 267.332 253.224 1.00 0.00 C +ATOM 144 CA LYS A 144 221.680 265.877 250.609 1.00 0.00 C +ATOM 145 CA PRO A 145 222.244 266.222 246.857 1.00 0.00 C +ATOM 146 CA ALA A 146 223.863 269.236 245.179 1.00 0.00 C +ATOM 147 CA ALA A 147 222.779 271.139 242.062 1.00 0.00 C +ATOM 148 CA ASP A 148 225.529 272.488 239.796 1.00 0.00 C +ATOM 149 CA SER A 149 227.454 270.578 237.119 1.00 0.00 C +ATOM 150 CA ARG A 150 225.634 268.119 234.849 1.00 0.00 C +ATOM 151 CA PRO A 151 223.983 268.384 231.425 1.00 0.00 C +ATOM 152 CA GLU A 152 221.609 271.364 231.434 1.00 0.00 C +ATOM 153 CA THR A 153 222.844 274.718 230.114 1.00 0.00 C +ATOM 154 CA SER A 154 220.014 276.190 228.032 1.00 0.00 C +ATOM 155 CA SER A 155 219.944 274.702 224.525 1.00 0.00 C +ATOM 156 CA THR A 156 223.002 272.472 224.090 1.00 0.00 C +ATOM 157 CA GLY A 157 225.450 272.160 221.187 1.00 0.00 C +ATOM 158 CA ASP A 158 227.895 273.256 218.479 1.00 0.00 C +ATOM 159 CA GLY A 159 227.346 275.346 215.341 1.00 0.00 C +ATOM 160 CA ALA A 160 224.330 276.006 213.108 1.00 0.00 C +ATOM 161 CA SER A 161 223.829 278.112 209.973 1.00 0.00 C +ATOM 162 CA ASN A 162 224.501 281.850 209.669 1.00 0.00 C +ATOM 163 CA GLY A 163 224.514 283.575 213.066 1.00 0.00 C +ATOM 164 CA SER A 164 226.711 286.221 214.705 1.00 0.00 C +ATOM 165 CA THR A 165 230.177 285.299 215.992 1.00 0.00 C +ATOM 166 CA GLY A 166 232.859 283.930 218.326 1.00 0.00 C +ATOM 167 CA GLN A 167 234.019 284.635 221.886 1.00 0.00 C +ATOM 168 CA GLN A 168 236.430 287.580 221.724 1.00 0.00 C +ATOM 169 CA ASN A 169 237.700 290.834 223.246 1.00 0.00 C +ATOM 170 CA PHE A 170 240.907 290.507 225.277 1.00 0.00 C +ATOM 171 CA THR A 171 241.529 289.422 228.876 1.00 0.00 C +ATOM 172 CA GLN A 172 240.745 288.207 232.401 1.00 0.00 C +ATOM 173 CA GLN A 173 244.076 287.637 234.160 1.00 0.00 C +ATOM 174 CA ASP A 174 247.268 285.906 235.314 1.00 0.00 C +ATOM 175 CA LEU A 175 248.425 282.658 236.935 1.00 0.00 C +ATOM 176 CA ASN A 176 250.191 279.282 236.877 1.00 0.00 C +ATOM 177 CA LEU A 177 249.789 277.819 240.372 1.00 0.00 C +ATOM 178 CA ALA A 178 252.416 276.515 242.804 1.00 0.00 C +ATOM 179 CA LEU A 179 252.736 277.945 246.321 1.00 0.00 C +ATOM 180 CA LYS A 180 252.329 280.145 249.405 1.00 0.00 C +ATOM 181 CA ARG A 181 253.443 277.953 252.315 1.00 0.00 C +ATOM 182 CA SER A 182 251.304 275.393 254.155 1.00 0.00 C +ATOM 183 CA ARG A 183 248.435 275.068 256.641 1.00 0.00 C +ATOM 184 CA ILE A 184 245.205 275.799 254.757 1.00 0.00 C +ATOM 185 CA GLU A 185 244.943 279.313 253.309 1.00 0.00 C +ATOM 186 CA VAL A 186 245.582 282.663 251.609 1.00 0.00 C +ATOM 187 CA PRO A 187 246.791 285.251 249.088 1.00 0.00 C +ATOM 188 CA PRO A 188 249.556 287.662 250.117 1.00 0.00 C +ATOM 189 CA SER A 189 251.709 290.089 248.120 1.00 0.00 C +TER 190 SER A 189 +END diff --git a/Fungi/A0A9P4LXH8/A0A9P4LXH8.dcd b/Fungi/A0A9P4LXH8/A0A9P4LXH8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f204f8a1504bab437d59b4ca08d9a89eaff5e6c3 --- /dev/null +++ b/Fungi/A0A9P4LXH8/A0A9P4LXH8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7565c7cf9815d7b78a2eaaec86340f79aa0100c8a78a054f8196811e2616c53e +size 8720276 diff --git a/Fungi/A0A9P4LXH8/top.pdb b/Fungi/A0A9P4LXH8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d4a2979339ce4fb72489355c126d006646694fc4 --- /dev/null +++ b/Fungi/A0A9P4LXH8/top.pdb @@ -0,0 +1,70 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLY A 1 252.848 222.425 240.384 1.00 0.00 C +ATOM 2 CA LYS A 2 253.722 223.321 243.983 1.00 0.00 C +ATOM 3 CA LYS A 3 257.009 225.236 244.188 1.00 0.00 C +ATOM 4 CA GLY A 4 260.422 223.783 245.056 1.00 0.00 C +ATOM 5 CA LYS A 5 263.936 224.605 246.279 1.00 0.00 C +ATOM 6 CA LYS A 6 267.404 226.144 246.617 1.00 0.00 C +ATOM 7 CA GLY A 7 268.309 229.271 244.638 1.00 0.00 C +ATOM 8 CA LYS A 8 271.561 229.875 242.747 1.00 0.00 C +ATOM 9 CA LYS A 9 270.998 232.768 240.332 1.00 0.00 C +ATOM 10 CA GLY A 10 269.543 235.762 242.184 1.00 0.00 C +ATOM 11 CA LYS A 11 269.543 239.569 242.017 1.00 0.00 C +ATOM 12 CA LYS A 12 268.222 241.210 245.191 1.00 0.00 C +ATOM 13 CA GLY A 13 268.669 244.094 247.641 1.00 0.00 C +ATOM 14 CA LYS A 14 271.142 245.069 250.370 1.00 0.00 C +ATOM 15 CA ARG A 15 270.734 247.753 253.044 1.00 0.00 C +ATOM 16 CA ARG A 16 270.482 249.212 256.554 1.00 0.00 C +ATOM 17 CA LYS A 17 268.060 251.924 257.692 1.00 0.00 C +ATOM 18 CA LYS A 18 267.453 255.444 259.017 1.00 0.00 C +ATOM 19 CA ARG A 19 265.492 258.703 259.240 1.00 0.00 C +ATOM 20 CA ARG A 20 262.480 260.863 260.123 1.00 0.00 C +ATOM 21 CA ARG A 21 259.555 262.133 258.039 1.00 0.00 C +ATOM 22 CA LYS A 22 257.461 263.104 255.007 1.00 0.00 C +ATOM 23 CA LYS A 23 259.567 264.217 252.033 1.00 0.00 C +ATOM 24 CA LYS A 24 260.263 264.640 248.311 1.00 0.00 C +ATOM 25 CA LYS A 25 257.670 264.458 245.526 1.00 0.00 C +ATOM 26 CA ARG A 26 254.335 266.283 245.283 1.00 0.00 C +ATOM 27 CA LYS A 27 250.786 265.035 245.887 1.00 0.00 C +ATOM 28 CA ARG A 28 248.964 266.655 248.814 1.00 0.00 C +ATOM 29 CA LYS A 29 245.395 267.216 247.604 1.00 0.00 C +ATOM 30 CA ARG A 30 242.538 266.676 245.141 1.00 0.00 C +ATOM 31 CA LYS A 31 238.918 265.716 244.441 1.00 0.00 C +ATOM 32 CA LYS A 32 236.859 263.109 246.306 1.00 0.00 C +ATOM 33 CA LYS A 33 234.044 260.953 247.699 1.00 0.00 C +ATOM 34 CA LYS A 34 232.026 259.779 250.710 1.00 0.00 C +ATOM 35 CA LYS A 35 232.881 258.811 254.295 1.00 0.00 C +ATOM 36 CA LYS A 36 230.448 257.884 257.076 1.00 0.00 C +ATOM 37 CA LYS A 37 227.118 256.085 256.640 1.00 0.00 C +ATOM 38 CA ARG A 38 225.968 252.518 257.324 1.00 0.00 C +ATOM 39 CA LYS A 39 222.507 251.380 258.440 1.00 0.00 C +ATOM 40 CA ARG A 40 223.168 248.225 260.470 1.00 0.00 C +ATOM 41 CA LYS A 41 222.717 245.303 262.873 1.00 0.00 C +ATOM 42 CA LYS A 42 225.231 243.499 265.095 1.00 0.00 C +ATOM 43 CA LYS A 43 228.072 240.963 264.952 1.00 0.00 C +ATOM 44 CA LYS A 44 230.692 240.994 262.187 1.00 0.00 C +ATOM 45 CA LYS A 45 231.343 237.833 260.163 1.00 0.00 C +ATOM 46 CA ARG A 46 228.344 236.520 258.215 1.00 0.00 C +ATOM 47 CA ARG A 47 226.272 239.549 257.190 1.00 0.00 C +ATOM 48 CA ARG A 48 228.297 242.019 255.112 1.00 0.00 C +ATOM 49 CA LYS A 49 230.840 244.080 253.163 1.00 0.00 C +ATOM 50 CA LYS A 50 232.561 243.748 249.780 1.00 0.00 C +ATOM 51 CA LYS A 51 234.635 245.174 246.919 1.00 0.00 C +ATOM 52 CA LYS A 52 237.906 246.976 247.674 1.00 0.00 C +ATOM 53 CA LYS A 53 239.432 249.639 249.931 1.00 0.00 C +ATOM 54 CA LYS A 54 241.878 252.286 251.167 1.00 0.00 C +ATOM 55 CA LYS A 55 245.475 251.145 251.694 1.00 0.00 C +ATOM 56 CA LYS A 56 248.848 252.810 251.090 1.00 0.00 C +ATOM 57 CA LYS A 57 252.244 254.139 252.192 1.00 0.00 C +ATOM 58 CA LYS A 58 255.230 256.146 250.937 1.00 0.00 C +ATOM 59 CA LYS A 59 258.522 255.803 249.050 1.00 0.00 C +ATOM 60 CA LYS A 60 259.612 256.269 245.429 1.00 0.00 C +ATOM 61 CA LYS A 61 260.217 257.414 241.846 1.00 0.00 C +ATOM 62 CA SER A 62 259.971 261.109 240.949 1.00 0.00 C +ATOM 63 CA CYS A 63 261.768 262.678 237.978 1.00 0.00 C +ATOM 64 CA LEU A 64 264.020 262.752 234.906 1.00 0.00 C +ATOM 65 CA GLY A 65 267.775 263.350 234.669 1.00 0.00 C +ATOM 66 CA ALA A 66 269.596 265.895 232.496 1.00 0.00 C +TER 67 ALA A 66 +END diff --git a/Fungi/A0A9P4N491/A0A9P4N491.dcd b/Fungi/A0A9P4N491/A0A9P4N491.dcd new file mode 100644 index 0000000000000000000000000000000000000000..ee150a0763442268f9047b1664430c70299bf8a7 --- /dev/null +++ b/Fungi/A0A9P4N491/A0A9P4N491.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9131c5198a032571ceb1800ef66a114f6afa9875525274ebea4fbf672142eb2e +size 13640276 diff --git a/Fungi/A0A9P4N491/top.pdb b/Fungi/A0A9P4N491/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..109353f80911ddcd8f0d05f511346b55dca0d1f0 --- /dev/null +++ b/Fungi/A0A9P4N491/top.pdb @@ -0,0 +1,111 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 330.809 310.141 263.146 1.00 0.00 C +ATOM 2 CA ALA A 2 330.286 308.293 259.855 1.00 0.00 C +ATOM 3 CA GLU A 3 329.960 304.938 258.079 1.00 0.00 C +ATOM 4 CA ILE A 4 328.205 301.724 259.134 1.00 0.00 C +ATOM 5 CA VAL A 5 325.413 299.576 260.586 1.00 0.00 C +ATOM 6 CA GLN A 6 321.854 300.911 260.835 1.00 0.00 C +ATOM 7 CA PRO A 7 319.062 298.319 260.868 1.00 0.00 C +ATOM 8 CA PRO A 8 315.668 297.459 262.370 1.00 0.00 C +ATOM 9 CA ALA A 9 312.566 295.266 262.665 1.00 0.00 C +ATOM 10 CA PRO A 10 310.500 295.929 259.533 1.00 0.00 C +ATOM 11 CA ALA A 11 307.008 296.730 260.829 1.00 0.00 C +ATOM 12 CA PRO A 12 303.284 295.934 260.697 1.00 0.00 C +ATOM 13 CA ALA A 13 301.458 294.089 263.486 1.00 0.00 C +ATOM 14 CA GLN A 14 299.469 293.803 266.723 1.00 0.00 C +ATOM 15 CA ALA A 15 295.855 294.436 265.697 1.00 0.00 C +ATOM 16 CA PRO A 16 295.040 294.537 261.977 1.00 0.00 C +ATOM 17 CA ALA A 17 293.753 291.638 259.866 1.00 0.00 C +ATOM 18 CA PRO A 18 291.562 288.908 258.362 1.00 0.00 C +ATOM 19 CA GLU A 19 291.657 285.322 257.080 1.00 0.00 C +ATOM 20 CA ALA A 20 289.451 282.219 256.919 1.00 0.00 C +ATOM 21 CA PRO A 21 287.754 279.710 254.608 1.00 0.00 C +ATOM 22 CA ALA A 22 284.926 278.088 252.637 1.00 0.00 C +ATOM 23 CA GLN A 23 281.994 276.934 250.495 1.00 0.00 C +ATOM 24 CA GLU A 24 278.566 275.396 251.125 1.00 0.00 C +ATOM 25 CA PRO A 25 275.530 274.021 249.279 1.00 0.00 C +ATOM 26 CA GLU A 26 271.757 273.533 249.482 1.00 0.00 C +ATOM 27 CA ALA A 27 267.987 274.042 249.702 1.00 0.00 C +ATOM 28 CA PRO A 28 266.029 273.901 252.967 1.00 0.00 C +ATOM 29 CA GLU A 29 262.297 274.547 253.382 1.00 0.00 C +ATOM 30 CA GLN A 30 258.664 275.691 253.456 1.00 0.00 C +ATOM 31 CA PRO A 31 256.812 274.053 250.557 1.00 0.00 C +ATOM 32 CA GLN A 32 253.092 273.366 250.110 1.00 0.00 C +ATOM 33 CA GLU A 33 251.491 274.021 253.505 1.00 0.00 C +ATOM 34 CA ARG A 34 250.837 274.496 257.228 1.00 0.00 C +ATOM 35 CA ARG A 35 251.771 271.751 259.699 1.00 0.00 C +ATOM 36 CA ARG A 36 249.544 270.520 262.535 1.00 0.00 C +ATOM 37 CA SER A 37 247.759 269.189 265.626 1.00 0.00 C +ATOM 38 CA SER A 38 246.356 267.000 268.411 1.00 0.00 C +ATOM 39 CA LEU A 39 242.869 267.780 269.733 1.00 0.00 C +ATOM 40 CA GLU A 40 239.673 269.802 270.198 1.00 0.00 C +ATOM 41 CA ARG A 41 237.528 269.012 267.149 1.00 0.00 C +ATOM 42 CA PHE A 42 236.434 265.495 266.177 1.00 0.00 C +ATOM 43 CA THR A 43 233.862 262.690 266.001 1.00 0.00 C +ATOM 44 CA ASP A 44 232.513 259.422 264.580 1.00 0.00 C +ATOM 45 CA ALA A 45 231.664 259.361 260.867 1.00 0.00 C +ATOM 46 CA ILE A 46 230.580 258.086 257.444 1.00 0.00 C +ATOM 47 CA LYS A 47 230.656 254.811 255.498 1.00 0.00 C +ATOM 48 CA LYS A 48 233.628 253.259 253.688 1.00 0.00 C +ATOM 49 CA PRO A 49 233.201 249.867 252.005 1.00 0.00 C +ATOM 50 CA PHE A 50 232.940 248.048 248.668 1.00 0.00 C +ATOM 51 CA HIS A 51 229.376 248.001 247.320 1.00 0.00 C +ATOM 52 CA HIS A 52 226.952 247.001 250.084 1.00 0.00 C +ATOM 53 CA GLU A 53 226.840 244.595 253.036 1.00 0.00 C +ATOM 54 CA HIS A 54 224.943 246.100 255.978 1.00 0.00 C +ATOM 55 CA LYS A 55 222.903 249.078 254.759 1.00 0.00 C +ATOM 56 CA GLU A 56 222.074 252.697 253.904 1.00 0.00 C +ATOM 57 CA ALA A 57 218.512 254.048 253.841 1.00 0.00 C +ATOM 58 CA ALA A 58 215.041 252.895 252.774 1.00 0.00 C +ATOM 59 CA LYS A 59 213.460 249.559 253.714 1.00 0.00 C +ATOM 60 CA PRO A 60 210.411 248.056 251.994 1.00 0.00 C +ATOM 61 CA PRO A 61 209.853 248.973 248.338 1.00 0.00 C +ATOM 62 CA GLU A 62 212.894 248.108 246.212 1.00 0.00 C +ATOM 63 CA GLU A 63 215.821 248.744 243.858 1.00 0.00 C +ATOM 64 CA HIS A 64 216.388 246.151 241.124 1.00 0.00 C +ATOM 65 CA VAL A 65 218.063 243.871 238.573 1.00 0.00 C +ATOM 66 CA GLU A 66 218.773 240.130 238.720 1.00 0.00 C +ATOM 67 CA GLN A 67 219.528 236.752 240.310 1.00 0.00 C +ATOM 68 CA GLN A 68 222.300 235.208 238.200 1.00 0.00 C +ATOM 69 CA PRO A 69 223.384 233.407 235.023 1.00 0.00 C +ATOM 70 CA GLU A 70 223.774 229.727 234.118 1.00 0.00 C +ATOM 71 CA GLN A 71 226.014 227.195 235.876 1.00 0.00 C +ATOM 72 CA PRO A 72 224.931 223.583 235.326 1.00 0.00 C +ATOM 73 CA ALA A 73 224.499 221.496 232.168 1.00 0.00 C +ATOM 74 CA GLU A 74 225.287 217.812 231.602 1.00 0.00 C +ATOM 75 CA GLN A 75 224.393 215.056 234.076 1.00 0.00 C +ATOM 76 CA GLN A 76 224.843 211.318 233.495 1.00 0.00 C +ATOM 77 CA ALA A 77 227.539 211.083 230.814 1.00 0.00 C +ATOM 78 CA GLN A 78 230.648 212.268 228.957 1.00 0.00 C +ATOM 79 CA GLU A 79 234.303 211.195 228.908 1.00 0.00 C +ATOM 80 CA GLU A 80 236.274 214.357 228.113 1.00 0.00 C +ATOM 81 CA GLY A 81 236.521 217.465 230.303 1.00 0.00 C +ATOM 82 CA LYS A 82 237.276 219.998 233.047 1.00 0.00 C +ATOM 83 CA SER A 83 237.254 219.244 236.782 1.00 0.00 C +ATOM 84 CA ALA A 84 238.177 215.743 237.969 1.00 0.00 C +ATOM 85 CA GLU A 85 241.348 213.922 236.900 1.00 0.00 C +ATOM 86 CA GLU A 86 243.104 210.541 236.944 1.00 0.00 C +ATOM 87 CA VAL A 87 244.698 208.672 239.857 1.00 0.00 C +ATOM 88 CA PRO A 88 244.885 206.404 242.912 1.00 0.00 C +ATOM 89 CA ALA A 89 242.695 207.104 245.950 1.00 0.00 C +ATOM 90 CA LYS A 90 239.454 208.119 247.676 1.00 0.00 C +ATOM 91 CA LYS A 91 237.096 210.503 249.486 1.00 0.00 C +ATOM 92 CA SER A 92 236.675 214.003 250.932 1.00 0.00 C +ATOM 93 CA HIS A 93 233.436 214.571 252.855 1.00 0.00 C +ATOM 94 CA TRP A 94 231.792 216.692 255.559 1.00 0.00 C +ATOM 95 CA PRO A 95 228.186 217.318 256.616 1.00 0.00 C +ATOM 96 CA GLY A 96 226.031 214.982 254.514 1.00 0.00 C +ATOM 97 CA LEU A 97 225.963 213.573 250.975 1.00 0.00 C +ATOM 98 CA SER A 98 227.443 214.667 247.639 1.00 0.00 C +ATOM 99 CA ASN A 99 227.593 213.748 243.945 1.00 0.00 C +ATOM 100 CA VAL A 100 225.997 210.492 242.775 1.00 0.00 C +ATOM 101 CA PHE A 101 227.149 209.852 239.201 1.00 0.00 C +ATOM 102 CA HIS A 102 226.755 206.163 238.333 1.00 0.00 C +ATOM 103 CA SER A 103 228.456 203.470 236.242 1.00 0.00 C +ATOM 104 CA HIS A 104 232.052 203.054 235.056 1.00 0.00 C +ATOM 105 CA ASP A 105 234.977 203.022 237.498 1.00 0.00 C +ATOM 106 CA LYS A 106 237.057 203.492 240.655 1.00 0.00 C +ATOM 107 CA LYS A 107 236.332 206.658 242.648 1.00 0.00 C +TER 108 LYS A 107 +END diff --git a/Fungi/A0A9P4PDX3/A0A9P4PDX3.dcd b/Fungi/A0A9P4PDX3/A0A9P4PDX3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..15c7fb02413b78729d49b1e5ef5ed408ee5b0b77 --- /dev/null +++ b/Fungi/A0A9P4PDX3/A0A9P4PDX3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d4ef24451f85e2b4c0f3780122db975296a1cd68fe1bdbfa4041b09e7c85486f +size 17480276 diff --git a/Fungi/A0A9P4PDX3/top.pdb b/Fungi/A0A9P4PDX3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..19ebb8e312073b615140bee373beb4fe365f0c37 --- /dev/null +++ b/Fungi/A0A9P4PDX3/top.pdb @@ -0,0 +1,143 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 232.229 262.121 267.971 1.00 0.00 C +ATOM 2 CA SER A 2 233.229 259.434 265.462 1.00 0.00 C +ATOM 3 CA GLN A 3 235.755 256.582 265.424 1.00 0.00 C +ATOM 4 CA ASN A 4 236.754 254.298 262.543 1.00 0.00 C +ATOM 5 CA GLN A 5 239.875 252.215 261.879 1.00 0.00 C +ATOM 6 CA PRO A 6 241.673 250.186 264.556 1.00 0.00 C +ATOM 7 CA THR A 7 240.111 249.544 267.971 1.00 0.00 C +ATOM 8 CA SER A 8 237.446 249.534 270.694 1.00 0.00 C +ATOM 9 CA ASN A 9 234.850 247.188 272.202 1.00 0.00 C +ATOM 10 CA GLU A 10 232.010 247.146 269.663 1.00 0.00 C +ATOM 11 CA SER A 11 228.623 245.925 268.416 1.00 0.00 C +ATOM 12 CA ALA A 12 227.065 246.399 264.972 1.00 0.00 C +ATOM 13 CA MET A 13 224.733 247.521 262.175 1.00 0.00 C +ATOM 14 CA SER A 14 222.174 247.878 259.375 1.00 0.00 C +ATOM 15 CA THR A 15 221.686 246.353 255.918 1.00 0.00 C +ATOM 16 CA ARG A 16 220.767 248.652 253.022 1.00 0.00 C +ATOM 17 CA GLY A 17 219.023 247.201 249.961 1.00 0.00 C +ATOM 18 CA GLY A 18 215.599 246.909 248.315 1.00 0.00 C +ATOM 19 CA PHE A 19 213.379 249.868 249.226 1.00 0.00 C +ATOM 20 CA SER A 20 212.487 253.505 249.928 1.00 0.00 C +ATOM 21 CA SER A 21 211.301 254.741 253.331 1.00 0.00 C +ATOM 22 CA SER A 22 212.916 253.604 256.589 1.00 0.00 C +ATOM 23 CA GLY A 23 214.206 250.028 256.846 1.00 0.00 C +ATOM 24 CA ARG A 24 212.723 248.559 260.033 1.00 0.00 C +ATOM 25 CA ASP A 25 210.143 248.400 262.832 1.00 0.00 C +ATOM 26 CA GLN A 26 209.789 251.487 265.037 1.00 0.00 C +ATOM 27 CA SER A 27 212.782 253.295 266.551 1.00 0.00 C +ATOM 28 CA ARG A 28 212.614 255.613 269.570 1.00 0.00 C +ATOM 29 CA SER A 29 210.924 259.023 269.394 1.00 0.00 C +ATOM 30 CA LYS A 30 209.367 262.494 269.600 1.00 0.00 C +ATOM 31 CA PRO A 31 208.693 264.478 266.418 1.00 0.00 C +ATOM 32 CA ASP A 32 208.272 267.177 263.761 1.00 0.00 C +ATOM 33 CA GLU A 33 207.524 269.122 260.572 1.00 0.00 C +ATOM 34 CA TRP A 34 208.285 270.366 257.052 1.00 0.00 C +ATOM 35 CA SER A 35 211.624 270.699 255.246 1.00 0.00 C +ATOM 36 CA GLU A 36 214.297 268.491 256.826 1.00 0.00 C +ATOM 37 CA VAL A 37 217.544 266.544 256.397 1.00 0.00 C +ATOM 38 CA GLN A 38 221.152 265.712 255.500 1.00 0.00 C +ATOM 39 CA ASP A 39 223.634 262.871 254.965 1.00 0.00 C +ATOM 40 CA PRO A 40 226.482 262.802 252.436 1.00 0.00 C +ATOM 41 CA ASN A 41 228.240 259.895 250.711 1.00 0.00 C +ATOM 42 CA GLU A 42 230.739 257.110 249.991 1.00 0.00 C +ATOM 43 CA ARG A 43 232.162 254.379 247.749 1.00 0.00 C +ATOM 44 CA ARG A 44 231.788 253.780 244.005 1.00 0.00 C +ATOM 45 CA LYS A 45 232.795 252.055 240.761 1.00 0.00 C +ATOM 46 CA ILE A 46 234.086 248.565 241.579 1.00 0.00 C +ATOM 47 CA GLN A 47 235.602 245.072 241.439 1.00 0.00 C +ATOM 48 CA ASN A 48 235.604 241.342 242.217 1.00 0.00 C +ATOM 49 CA LYS A 49 235.303 240.077 245.798 1.00 0.00 C +ATOM 50 CA LEU A 50 231.822 239.334 247.155 1.00 0.00 C +ATOM 51 CA ALA A 51 230.597 235.836 246.270 1.00 0.00 C +ATOM 52 CA GLN A 52 229.125 232.611 247.666 1.00 0.00 C +ATOM 53 CA ARG A 53 229.402 229.727 250.139 1.00 0.00 C +ATOM 54 CA ARG A 54 232.430 227.983 251.658 1.00 0.00 C +ATOM 55 CA PHE A 55 233.771 225.943 254.583 1.00 0.00 C +ATOM 56 CA ARG A 56 235.603 228.157 257.085 1.00 0.00 C +ATOM 57 CA ASP A 57 239.393 228.220 257.470 1.00 0.00 C +ATOM 58 CA LYS A 58 243.159 227.845 257.030 1.00 0.00 C +ATOM 59 CA VAL A 59 246.326 228.773 258.934 1.00 0.00 C +ATOM 60 CA ARG A 60 249.148 227.861 256.542 1.00 0.00 C +ATOM 61 CA GLU A 61 252.370 229.598 257.598 1.00 0.00 C +ATOM 62 CA GLN A 62 255.701 229.973 259.409 1.00 0.00 C +ATOM 63 CA LYS A 63 256.233 227.253 262.024 1.00 0.00 C +ATOM 64 CA GLU A 64 254.244 226.967 265.261 1.00 0.00 C +ATOM 65 CA GLU A 65 252.672 223.500 265.119 1.00 0.00 C +ATOM 66 CA ALA A 66 253.627 221.536 261.997 1.00 0.00 C +ATOM 67 CA GLU A 67 252.727 222.694 258.481 1.00 0.00 C +ATOM 68 CA ARG A 68 255.768 223.807 256.474 1.00 0.00 C +ATOM 69 CA GLY A 69 257.602 225.268 253.471 1.00 0.00 C +ATOM 70 CA VAL A 70 258.825 228.688 252.320 1.00 0.00 C +ATOM 71 CA GLU A 71 259.782 231.962 254.018 1.00 0.00 C +ATOM 72 CA ASN A 72 258.959 235.637 254.594 1.00 0.00 C +ATOM 73 CA GLN A 73 258.581 237.111 258.087 1.00 0.00 C +ATOM 74 CA ARG A 74 256.967 239.681 260.390 1.00 0.00 C +ATOM 75 CA ARG A 75 255.504 241.583 263.350 1.00 0.00 C +ATOM 76 CA ALA A 76 252.553 243.725 264.455 1.00 0.00 C +ATOM 77 CA GLY A 77 253.334 246.727 266.666 1.00 0.00 C +ATOM 78 CA SER A 78 253.723 250.419 265.811 1.00 0.00 C +ATOM 79 CA SER A 79 252.815 251.167 262.187 1.00 0.00 C +ATOM 80 CA TYR A 80 255.877 251.580 259.958 1.00 0.00 C +ATOM 81 CA THR A 81 256.390 251.218 256.200 1.00 0.00 C +ATOM 82 CA SER A 82 253.599 249.611 254.164 1.00 0.00 C +ATOM 83 CA PRO A 83 254.593 249.425 250.491 1.00 0.00 C +ATOM 84 CA ASP A 84 258.017 248.004 249.611 1.00 0.00 C +ATOM 85 CA PRO A 85 259.855 244.680 249.910 1.00 0.00 C +ATOM 86 CA GLU A 86 262.829 242.312 249.654 1.00 0.00 C +ATOM 87 CA THR A 87 262.486 239.015 247.776 1.00 0.00 C +ATOM 88 CA ILE A 88 262.523 236.981 244.554 1.00 0.00 C +ATOM 89 CA ASP A 89 263.887 233.727 243.116 1.00 0.00 C +ATOM 90 CA GLN A 90 265.378 232.556 239.811 1.00 0.00 C +ATOM 91 CA ASN A 91 269.180 232.396 239.613 1.00 0.00 C +ATOM 92 CA ARG A 92 272.460 231.689 241.417 1.00 0.00 C +ATOM 93 CA ASP A 93 276.256 231.359 241.457 1.00 0.00 C +ATOM 94 CA LEU A 94 278.573 230.154 238.683 1.00 0.00 C +ATOM 95 CA SER A 95 280.545 232.323 236.249 1.00 0.00 C +ATOM 96 CA GLY A 96 284.164 232.776 237.351 1.00 0.00 C +ATOM 97 CA LEU A 97 286.588 235.256 238.928 1.00 0.00 C +ATOM 98 CA PRO A 98 287.291 237.797 236.178 1.00 0.00 C +ATOM 99 CA TRP A 99 290.597 239.687 236.295 1.00 0.00 C +ATOM 100 CA GLY A 100 293.725 239.578 234.124 1.00 0.00 C +ATOM 101 CA GLY A 101 296.427 241.655 232.419 1.00 0.00 C +ATOM 102 CA ILE A 102 295.888 245.280 233.461 1.00 0.00 C +ATOM 103 CA SER A 103 293.728 246.803 230.717 1.00 0.00 C +ATOM 104 CA MET A 104 291.179 249.252 229.296 1.00 0.00 C +ATOM 105 CA LYS A 105 289.546 251.194 232.139 1.00 0.00 C +ATOM 106 CA HIS A 106 286.818 253.783 231.533 1.00 0.00 C +ATOM 107 CA ILE A 107 287.278 257.560 231.726 1.00 0.00 C +ATOM 108 CA VAL A 108 288.807 259.902 234.314 1.00 0.00 C +ATOM 109 CA GLU A 109 290.552 263.181 235.160 1.00 0.00 C +ATOM 110 CA THR A 110 289.023 266.426 233.877 1.00 0.00 C +ATOM 111 CA GLY A 111 285.686 267.187 235.552 1.00 0.00 C +ATOM 112 CA LYS A 112 283.790 270.488 235.696 1.00 0.00 C +ATOM 113 CA SER A 113 280.331 270.972 237.218 1.00 0.00 C +ATOM 114 CA ARG A 114 277.079 270.126 235.423 1.00 0.00 C +ATOM 115 CA GLU A 115 273.277 270.202 235.670 1.00 0.00 C +ATOM 116 CA GLU A 116 272.214 272.443 232.778 1.00 0.00 C +ATOM 117 CA LYS A 117 271.143 271.657 229.207 1.00 0.00 C +ATOM 118 CA SER A 118 269.815 272.071 225.660 1.00 0.00 C +ATOM 119 CA GLN A 119 268.285 268.996 224.010 1.00 0.00 C +ATOM 120 CA ARG A 120 267.651 265.255 223.664 1.00 0.00 C +ATOM 121 CA SER A 121 267.053 261.824 225.208 1.00 0.00 C +ATOM 122 CA SER A 122 264.901 259.067 226.719 1.00 0.00 C +ATOM 123 CA ARG A 123 263.277 255.995 228.283 1.00 0.00 C +ATOM 124 CA GLU A 124 260.073 256.992 230.086 1.00 0.00 C +ATOM 125 CA SER A 125 257.899 259.090 232.409 1.00 0.00 C +ATOM 126 CA SER A 126 256.322 261.799 234.574 1.00 0.00 C +ATOM 127 CA VAL A 127 257.548 264.606 236.840 1.00 0.00 C +ATOM 128 CA TYR A 128 258.946 264.228 240.363 1.00 0.00 C +ATOM 129 CA ALA A 129 261.504 263.789 243.153 1.00 0.00 C +ATOM 130 CA ALA A 130 264.567 266.054 243.243 1.00 0.00 C +ATOM 131 CA ALA A 131 266.893 268.169 241.092 1.00 0.00 C +ATOM 132 CA SER A 132 269.670 269.842 243.094 1.00 0.00 C +ATOM 133 CA ARG A 133 270.015 270.033 246.883 1.00 0.00 C +ATOM 134 CA THR A 134 269.480 268.230 250.197 1.00 0.00 C +ATOM 135 CA GLY A 135 269.406 268.930 253.941 1.00 0.00 C +ATOM 136 CA GLY A 136 270.321 270.703 257.187 1.00 0.00 C +ATOM 137 CA SER A 137 268.663 272.944 259.783 1.00 0.00 C +ATOM 138 CA SER A 138 267.413 276.220 261.274 1.00 0.00 C +ATOM 139 CA ARG A 139 269.897 279.101 261.484 1.00 0.00 C +TER 140 ARG A 139 +END diff --git a/Fungi/A0A9P4SD42/A0A9P4SD42.dcd b/Fungi/A0A9P4SD42/A0A9P4SD42.dcd new file mode 100644 index 0000000000000000000000000000000000000000..9d396afb65c9759784ecb3ee6747717578c4692b --- /dev/null +++ b/Fungi/A0A9P4SD42/A0A9P4SD42.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8a69b7f2fb2eb40e63aac93d8549b4e9d7ac861cdadce998c8f3b6c4264fd11a +size 13880276 diff --git a/Fungi/A0A9P4SD42/top.pdb b/Fungi/A0A9P4SD42/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..fbb5570d3d24a7882ecc369e882aff3009879dff --- /dev/null +++ b/Fungi/A0A9P4SD42/top.pdb @@ -0,0 +1,113 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLU A 1 273.804 277.211 221.340 1.00 0.00 C +ATOM 2 CA GLU A 2 274.911 280.682 222.456 1.00 0.00 C +ATOM 3 CA GLU A 3 275.912 282.333 225.741 1.00 0.00 C +ATOM 4 CA GLU A 4 274.952 280.441 228.906 1.00 0.00 C +ATOM 5 CA GLU A 5 276.600 282.088 231.920 1.00 0.00 C +ATOM 6 CA GLU A 6 280.346 282.538 232.448 1.00 0.00 C +ATOM 7 CA GLU A 7 283.587 280.559 232.760 1.00 0.00 C +ATOM 8 CA GLU A 8 282.892 277.082 231.368 1.00 0.00 C +ATOM 9 CA GLU A 9 280.060 274.728 230.391 1.00 0.00 C +ATOM 10 CA GLU A 10 277.755 273.959 227.457 1.00 0.00 C +ATOM 11 CA GLU A 11 276.433 270.617 226.191 1.00 0.00 C +ATOM 12 CA GLU A 12 272.761 270.030 225.364 1.00 0.00 C +ATOM 13 CA GLU A 13 269.019 269.311 225.388 1.00 0.00 C +ATOM 14 CA GLU A 14 268.000 266.528 227.781 1.00 0.00 C +ATOM 15 CA GLU A 15 265.026 267.561 229.928 1.00 0.00 C +ATOM 16 CA GLU A 16 264.725 266.027 233.403 1.00 0.00 C +ATOM 17 CA GLU A 17 262.003 263.366 233.243 1.00 0.00 C +ATOM 18 CA GLU A 18 260.357 261.659 230.260 1.00 0.00 C +ATOM 19 CA GLU A 19 257.038 259.926 230.965 1.00 0.00 C +ATOM 20 CA GLU A 20 253.401 260.823 231.662 1.00 0.00 C +ATOM 21 CA GLU A 21 252.089 260.221 235.188 1.00 0.00 C +ATOM 22 CA GLU A 22 252.723 261.119 238.837 1.00 0.00 C +ATOM 23 CA GLU A 23 252.575 260.526 242.597 1.00 0.00 C +ATOM 24 CA GLU A 24 250.211 262.916 244.390 1.00 0.00 C +ATOM 25 CA GLU A 25 247.168 263.702 242.236 1.00 0.00 C +ATOM 26 CA GLU A 26 248.440 265.752 239.287 1.00 0.00 C +ATOM 27 CA GLU A 27 248.981 267.779 236.107 1.00 0.00 C +ATOM 28 CA GLU A 28 248.796 265.614 232.978 1.00 0.00 C +ATOM 29 CA GLU A 29 247.952 263.997 229.633 1.00 0.00 C +ATOM 30 CA GLU A 30 245.264 262.569 227.342 1.00 0.00 C +ATOM 31 CA GLU A 31 242.910 259.574 227.252 1.00 0.00 C +ATOM 32 CA GLU A 32 244.820 256.448 228.298 1.00 0.00 C +ATOM 33 CA ALA A 33 248.096 254.994 227.005 1.00 0.00 C +ATOM 34 CA GLY A 34 249.231 251.364 227.225 1.00 0.00 C +ATOM 35 CA GLY A 35 252.339 249.611 228.562 1.00 0.00 C +ATOM 36 CA GLU A 36 251.925 247.084 231.383 1.00 0.00 C +ATOM 37 CA MET A 37 251.042 245.481 234.724 1.00 0.00 C +ATOM 38 CA VAL A 38 252.877 246.943 237.726 1.00 0.00 C +ATOM 39 CA GLU A 39 250.835 249.814 239.177 1.00 0.00 C +ATOM 40 CA GLU A 40 247.652 248.926 241.073 1.00 0.00 C +ATOM 41 CA ASP A 41 244.904 246.705 242.498 1.00 0.00 C +ATOM 42 CA GLY A 42 241.299 247.725 243.194 1.00 0.00 C +ATOM 43 CA GLU A 43 240.587 250.490 245.716 1.00 0.00 C +ATOM 44 CA GLU A 44 243.408 250.986 248.228 1.00 0.00 C +ATOM 45 CA ASP A 45 245.619 253.787 249.563 1.00 0.00 C +ATOM 46 CA GLU A 46 248.171 256.613 249.445 1.00 0.00 C +ATOM 47 CA ASP A 47 246.485 259.728 248.040 1.00 0.00 C +ATOM 48 CA GLU A 48 243.784 259.192 245.407 1.00 0.00 C +ATOM 49 CA GLU A 49 240.097 258.242 245.559 1.00 0.00 C +ATOM 50 CA MET A 50 237.124 260.612 245.788 1.00 0.00 C +ATOM 51 CA THR A 51 238.037 263.542 243.529 1.00 0.00 C +ATOM 52 CA GLU A 52 240.763 266.183 243.205 1.00 0.00 C +ATOM 53 CA GLY A 53 239.862 269.050 240.863 1.00 0.00 C +ATOM 54 CA ALA A 54 236.549 270.874 241.325 1.00 0.00 C +ATOM 55 CA GLU A 55 234.010 273.076 239.530 1.00 0.00 C +ATOM 56 CA ASP A 56 231.968 271.767 236.592 1.00 0.00 C +ATOM 57 CA GLU A 57 234.169 269.973 234.051 1.00 0.00 C +ATOM 58 CA ASP A 58 233.067 266.386 233.394 1.00 0.00 C +ATOM 59 CA ALA A 59 231.040 263.482 234.801 1.00 0.00 C +ATOM 60 CA ASP A 60 229.568 261.145 232.177 1.00 0.00 C +ATOM 61 CA GLU A 61 231.612 260.049 229.155 1.00 0.00 C +ATOM 62 CA ASP A 62 230.762 257.271 226.691 1.00 0.00 C +ATOM 63 CA GLU A 63 231.336 254.037 228.622 1.00 0.00 C +ATOM 64 CA GLU A 64 230.444 251.915 231.658 1.00 0.00 C +ATOM 65 CA HIS A 65 230.225 248.332 232.934 1.00 0.00 C +ATOM 66 CA SER A 66 228.554 248.380 236.358 1.00 0.00 C +ATOM 67 CA GLU A 67 227.095 248.192 239.873 1.00 0.00 C +ATOM 68 CA ALA A 68 227.413 247.239 243.548 1.00 0.00 C +ATOM 69 CA GLY A 69 229.728 248.125 246.442 1.00 0.00 C +ATOM 70 CA GLU A 70 228.126 249.354 249.673 1.00 0.00 C +ATOM 71 CA ASP A 71 228.202 248.140 253.284 1.00 0.00 C +ATOM 72 CA GLU A 72 228.730 250.332 256.354 1.00 0.00 C +ATOM 73 CA GLU A 73 231.741 250.212 258.687 1.00 0.00 C +ATOM 74 CA MET A 74 233.618 251.523 261.732 1.00 0.00 C +ATOM 75 CA SER A 75 234.061 251.121 265.494 1.00 0.00 C +ATOM 76 CA THR A 76 232.532 248.580 267.887 1.00 0.00 C +ATOM 77 CA GLY A 77 234.244 245.878 269.958 1.00 0.00 C +ATOM 78 CA THR A 78 237.492 244.187 271.007 1.00 0.00 C +ATOM 79 CA ASP A 79 241.061 243.586 269.816 1.00 0.00 C +ATOM 80 CA ASP A 80 241.310 239.858 269.073 1.00 0.00 C +ATOM 81 CA MET A 81 242.535 236.376 270.017 1.00 0.00 C +ATOM 82 CA MET A 82 244.267 234.271 272.679 1.00 0.00 C +ATOM 83 CA GLU A 83 247.469 233.557 274.616 1.00 0.00 C +ATOM 84 CA ASP A 84 248.054 229.792 274.662 1.00 0.00 C +ATOM 85 CA GLU A 85 249.292 227.449 277.399 1.00 0.00 C +ATOM 86 CA ASP A 86 253.090 227.371 277.099 1.00 0.00 C +ATOM 87 CA GLY A 87 256.034 228.601 279.181 1.00 0.00 C +ATOM 88 CA LYS A 88 259.141 229.534 281.178 1.00 0.00 C +ATOM 89 CA PHE A 89 261.673 232.248 282.038 1.00 0.00 C +ATOM 90 CA PRO A 90 263.875 230.743 284.759 1.00 0.00 C +ATOM 91 CA MET A 91 263.998 232.931 287.876 1.00 0.00 C +ATOM 92 CA ASP A 92 260.756 234.553 289.048 1.00 0.00 C +ATOM 93 CA ALA A 93 258.497 233.710 291.998 1.00 0.00 C +ATOM 94 CA GLU A 94 256.119 230.823 291.276 1.00 0.00 C +ATOM 95 CA ASP A 95 252.958 231.262 289.196 1.00 0.00 C +ATOM 96 CA MET A 96 250.686 230.429 286.252 1.00 0.00 C +ATOM 97 CA VAL A 97 250.697 226.704 285.452 1.00 0.00 C +ATOM 98 CA ARG A 98 251.508 222.982 285.440 1.00 0.00 C +ATOM 99 CA THR A 99 253.647 219.923 284.677 1.00 0.00 C +ATOM 100 CA ASP A 100 255.432 217.748 282.107 1.00 0.00 C +ATOM 101 CA ILE A 101 256.430 218.572 278.524 1.00 0.00 C +ATOM 102 CA LEU A 102 257.109 216.179 275.638 1.00 0.00 C +ATOM 103 CA LEU A 103 258.080 212.751 276.988 1.00 0.00 C +ATOM 104 CA PRO A 104 256.669 209.434 278.222 1.00 0.00 C +ATOM 105 CA THR A 105 258.302 206.081 277.445 1.00 0.00 C +ATOM 106 CA GLY A 106 260.612 203.163 276.629 1.00 0.00 C +ATOM 107 CA LEU A 107 260.589 199.925 274.621 1.00 0.00 C +ATOM 108 CA GLY A 108 263.013 199.127 271.791 1.00 0.00 C +ATOM 109 CA ASN A 109 265.160 195.991 272.053 1.00 0.00 C +TER 110 ASN A 109 +END diff --git a/Fungi/A0A9P4SIE6/A0A9P4SIE6.dcd b/Fungi/A0A9P4SIE6/A0A9P4SIE6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c173825e0652e7e6d377785fc9f839137a9e1268 --- /dev/null +++ b/Fungi/A0A9P4SIE6/A0A9P4SIE6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b648e9949ef43892408e271eef896e54b99473f205294cc76b50a36d2ef5470e +size 10760276 diff --git a/Fungi/A0A9P4SIE6/top.pdb b/Fungi/A0A9P4SIE6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e52019276ef43e9dc5127a15f560f6aaa19c3627 --- /dev/null +++ b/Fungi/A0A9P4SIE6/top.pdb @@ -0,0 +1,87 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 268.011 291.138 288.140 1.00 0.00 C +ATOM 2 CA PHE A 2 268.330 287.344 288.271 1.00 0.00 C +ATOM 3 CA PRO A 3 268.347 283.569 287.751 1.00 0.00 C +ATOM 4 CA ARG A 4 270.224 281.148 290.017 1.00 0.00 C +ATOM 5 CA ARG A 5 273.299 280.126 288.013 1.00 0.00 C +ATOM 6 CA GLU A 6 274.986 277.082 289.564 1.00 0.00 C +ATOM 7 CA HIS A 7 274.393 274.201 291.986 1.00 0.00 C +ATOM 8 CA PRO A 8 276.088 273.232 295.257 1.00 0.00 C +ATOM 9 CA TYR A 9 274.958 271.408 298.406 1.00 0.00 C +ATOM 10 CA GLU A 10 271.954 270.274 300.458 1.00 0.00 C +ATOM 11 CA VAL A 11 268.383 270.437 299.142 1.00 0.00 C +ATOM 12 CA PRO A 12 265.862 267.970 297.701 1.00 0.00 C +ATOM 13 CA PRO A 13 263.094 268.585 295.157 1.00 0.00 C +ATOM 14 CA PRO A 14 262.223 265.272 293.489 1.00 0.00 C +ATOM 15 CA PRO A 15 259.613 263.135 291.718 1.00 0.00 C +ATOM 16 CA MET A 16 260.703 259.624 290.719 1.00 0.00 C +ATOM 17 CA PRO A 17 258.804 256.355 291.192 1.00 0.00 C +ATOM 18 CA GLN A 18 258.766 253.763 288.399 1.00 0.00 C +ATOM 19 CA ARG A 19 261.917 251.642 288.695 1.00 0.00 C +ATOM 20 CA GLN A 20 263.638 249.715 285.895 1.00 0.00 C +ATOM 21 CA LEU A 21 264.113 247.241 283.036 1.00 0.00 C +ATOM 22 CA VAL A 22 262.669 249.017 279.990 1.00 0.00 C +ATOM 23 CA GLU A 23 263.659 252.177 278.106 1.00 0.00 C +ATOM 24 CA HIS A 24 262.732 255.872 278.070 1.00 0.00 C +ATOM 25 CA ASN A 25 261.941 258.160 281.013 1.00 0.00 C +ATOM 26 CA SER A 26 263.913 261.340 280.297 1.00 0.00 C +ATOM 27 CA PRO A 27 265.892 262.059 277.122 1.00 0.00 C +ATOM 28 CA ILE A 28 263.929 261.446 273.915 1.00 0.00 C +ATOM 29 CA SER A 29 264.075 262.036 270.154 1.00 0.00 C +ATOM 30 CA ALA A 30 261.832 260.484 267.493 1.00 0.00 C +ATOM 31 CA THR A 31 261.454 259.589 263.809 1.00 0.00 C +ATOM 32 CA SER A 32 260.432 261.536 260.698 1.00 0.00 C +ATOM 33 CA THR A 33 259.725 261.804 256.963 1.00 0.00 C +ATOM 34 CA ALA A 34 257.910 259.066 255.032 1.00 0.00 C +ATOM 35 CA THR A 35 254.498 259.872 253.541 1.00 0.00 C +ATOM 36 CA ALA A 36 251.387 258.151 254.911 1.00 0.00 C +ATOM 37 CA SER A 37 249.689 255.700 252.539 1.00 0.00 C +ATOM 38 CA SER A 38 246.254 254.427 253.588 1.00 0.00 C +ATOM 39 CA HIS A 39 244.754 251.205 252.215 1.00 0.00 C +ATOM 40 CA THR A 40 241.929 249.520 250.292 1.00 0.00 C +ATOM 41 CA MET A 41 241.513 246.031 248.820 1.00 0.00 C +ATOM 42 CA LEU A 42 238.803 244.865 246.408 1.00 0.00 C +ATOM 43 CA PRO A 43 236.529 247.854 245.769 1.00 0.00 C +ATOM 44 CA HIS A 44 235.529 249.672 242.573 1.00 0.00 C +ATOM 45 CA PRO A 45 236.967 252.509 240.476 1.00 0.00 C +ATOM 46 CA GLY A 46 239.876 253.113 238.090 1.00 0.00 C +ATOM 47 CA HIS A 47 243.203 251.260 238.213 1.00 0.00 C +ATOM 48 CA SER A 48 244.086 247.725 237.098 1.00 0.00 C +ATOM 49 CA GLN A 49 242.313 245.253 234.805 1.00 0.00 C +ATOM 50 CA HIS A 50 241.609 245.063 231.065 1.00 0.00 C +ATOM 51 CA LEU A 51 242.070 243.232 227.756 1.00 0.00 C +ATOM 52 CA GLN A 52 243.589 241.486 224.729 1.00 0.00 C +ATOM 53 CA HIS A 53 246.205 238.779 225.322 1.00 0.00 C +ATOM 54 CA PRO A 54 247.542 236.665 228.195 1.00 0.00 C +ATOM 55 CA GLN A 55 248.379 233.223 226.791 1.00 0.00 C +ATOM 56 CA HIS A 56 248.230 229.466 226.176 1.00 0.00 C +ATOM 57 CA PRO A 57 246.441 228.509 222.951 1.00 0.00 C +ATOM 58 CA GLN A 58 243.698 230.684 221.446 1.00 0.00 C +ATOM 59 CA GLY A 59 241.234 233.344 220.276 1.00 0.00 C +ATOM 60 CA GLN A 60 241.905 237.057 220.803 1.00 0.00 C +ATOM 61 CA ALA A 61 243.292 238.861 217.747 1.00 0.00 C +ATOM 62 CA ALA A 62 244.532 239.766 214.260 1.00 0.00 C +ATOM 63 CA SER A 63 247.129 242.221 212.938 1.00 0.00 C +ATOM 64 CA GLY A 64 245.491 245.636 213.352 1.00 0.00 C +ATOM 65 CA PRO A 65 243.586 247.870 215.780 1.00 0.00 C +ATOM 66 CA LEU A 66 242.112 245.759 218.588 1.00 0.00 C +ATOM 67 CA THR A 67 239.054 244.072 217.065 1.00 0.00 C +ATOM 68 CA PRO A 68 236.940 241.425 218.809 1.00 0.00 C +ATOM 69 CA LEU A 69 236.852 238.451 216.429 1.00 0.00 C +ATOM 70 CA THR A 70 235.504 235.303 218.098 1.00 0.00 C +ATOM 71 CA GLY A 71 231.987 234.796 219.473 1.00 0.00 C +ATOM 72 CA ALA A 72 228.639 236.234 220.587 1.00 0.00 C +ATOM 73 CA LYS A 73 225.340 234.336 220.416 1.00 0.00 C +ATOM 74 CA ASP A 74 226.293 230.937 218.985 1.00 0.00 C +ATOM 75 CA GLY A 75 227.619 227.934 220.920 1.00 0.00 C +ATOM 76 CA LYS A 76 230.730 226.445 219.302 1.00 0.00 C +ATOM 77 CA GLN A 77 229.983 223.591 216.891 1.00 0.00 C +ATOM 78 CA PHE A 78 228.217 225.028 213.836 1.00 0.00 C +ATOM 79 CA THR A 79 227.270 223.131 210.670 1.00 0.00 C +ATOM 80 CA TYR A 80 230.587 222.300 208.990 1.00 0.00 C +ATOM 81 CA VAL A 81 231.083 222.505 205.218 1.00 0.00 C +ATOM 82 CA SER A 82 231.573 224.744 202.174 1.00 0.00 C +ATOM 83 CA VAL A 83 230.085 226.140 198.957 1.00 0.00 C +TER 84 VAL A 83 +END diff --git a/Fungi/A0A9P4VNQ9/A0A9P4VNQ9.dcd b/Fungi/A0A9P4VNQ9/A0A9P4VNQ9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..5c9ca3a73040d1e5bf399a708be5147b834dfbf5 --- /dev/null +++ b/Fungi/A0A9P4VNQ9/A0A9P4VNQ9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:68f5629ced2aa509067a7485f301f06c268cc841f2516f76563e9f2afb991b1f +size 44940276 diff --git a/Fungi/A0A9P4VNQ9/top.pdb b/Fungi/A0A9P4VNQ9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e4f3e99b339417af7d01ed586145036a06f0c252 --- /dev/null +++ b/Fungi/A0A9P4VNQ9/top.pdb @@ -0,0 +1,247 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 241.714 262.017 384.476 1.00 0.00 C +ATOM 2 CA THR A 2 241.627 263.538 380.984 1.00 0.00 C +ATOM 3 CA SER A 3 243.740 263.670 377.817 1.00 0.00 C +ATOM 4 CA SER A 4 245.300 263.262 374.364 1.00 0.00 C +ATOM 5 CA SER A 5 243.600 264.561 371.212 1.00 0.00 C +ATOM 6 CA SER A 6 245.569 267.204 369.300 1.00 0.00 C +ATOM 7 CA ALA A 7 245.975 268.314 365.678 1.00 0.00 C +ATOM 8 CA ARG A 8 246.204 270.112 362.327 1.00 0.00 C +ATOM 9 CA GLY A 9 249.125 271.177 360.125 1.00 0.00 C +ATOM 10 CA ARG A 10 249.058 271.526 356.332 1.00 0.00 C +ATOM 11 CA GLY A 11 248.784 270.589 352.649 1.00 0.00 C +ATOM 12 CA GLY A 12 248.069 271.860 349.129 1.00 0.00 C +ATOM 13 CA LYS A 13 250.462 270.374 346.565 1.00 0.00 C +ATOM 14 CA PHE A 14 251.477 272.685 343.711 1.00 0.00 C +ATOM 15 CA SER A 15 254.044 274.648 341.693 1.00 0.00 C +ATOM 16 CA LYS A 16 256.023 277.827 342.398 1.00 0.00 C +ATOM 17 CA PRO A 17 255.046 281.290 341.144 1.00 0.00 C +ATOM 18 CA LYS A 18 252.087 283.445 340.088 1.00 0.00 C +ATOM 19 CA ARG A 19 250.291 282.770 336.796 1.00 0.00 C +ATOM 20 CA GLY A 20 250.814 285.826 334.582 1.00 0.00 C +ATOM 21 CA GLY A 21 251.331 289.589 334.882 1.00 0.00 C +ATOM 22 CA GLY A 22 251.173 291.542 331.615 1.00 0.00 C +ATOM 23 CA LYS A 23 250.527 290.112 328.143 1.00 0.00 C +ATOM 24 CA HIS A 24 249.225 287.933 325.301 1.00 0.00 C +ATOM 25 CA PHE A 25 246.894 285.123 326.389 1.00 0.00 C +ATOM 26 CA SER A 26 247.753 281.412 326.458 1.00 0.00 C +ATOM 27 CA ARG A 27 244.984 279.500 328.245 1.00 0.00 C +ATOM 28 CA ASP A 28 245.079 279.131 332.036 1.00 0.00 C +ATOM 29 CA LEU A 29 247.308 276.197 333.005 1.00 0.00 C +ATOM 30 CA GLN A 30 248.383 272.640 332.165 1.00 0.00 C +ATOM 31 CA PRO A 31 247.599 269.701 329.871 1.00 0.00 C +ATOM 32 CA LEU A 32 247.603 271.078 326.319 1.00 0.00 C +ATOM 33 CA ASN A 33 249.968 272.590 323.743 1.00 0.00 C +ATOM 34 CA ALA A 34 250.013 274.278 320.327 1.00 0.00 C +ATOM 35 CA ASP A 35 247.871 276.277 317.892 1.00 0.00 C +ATOM 36 CA GLY A 36 248.872 279.895 317.244 1.00 0.00 C +ATOM 37 CA GLU A 37 248.061 282.129 320.222 1.00 0.00 C +ATOM 38 CA VAL A 38 251.330 283.904 321.048 1.00 0.00 C +ATOM 39 CA LEU A 39 252.589 287.229 319.680 1.00 0.00 C +ATOM 40 CA GLY A 40 251.132 289.630 317.106 1.00 0.00 C +ATOM 41 CA MET A 41 248.179 290.266 314.784 1.00 0.00 C +ATOM 42 CA TRP A 42 244.813 289.144 313.394 1.00 0.00 C +ATOM 43 CA ALA A 43 245.172 289.141 309.601 1.00 0.00 C +ATOM 44 CA ASP A 44 244.139 286.670 306.891 1.00 0.00 C +ATOM 45 CA PRO A 45 244.223 286.484 303.087 1.00 0.00 C +ATOM 46 CA ALA A 46 242.118 288.866 300.987 1.00 0.00 C +ATOM 47 CA ASP A 47 242.074 291.469 298.205 1.00 0.00 C +ATOM 48 CA LYS A 48 240.174 294.769 298.089 1.00 0.00 C +ATOM 49 CA VAL A 49 238.686 295.151 301.576 1.00 0.00 C +ATOM 50 CA ALA A 50 235.650 296.653 303.322 1.00 0.00 C +ATOM 51 CA GLU A 51 232.934 297.190 300.705 1.00 0.00 C +ATOM 52 CA GLU A 52 231.968 293.772 299.326 1.00 0.00 C +ATOM 53 CA SER A 53 233.630 290.415 298.636 1.00 0.00 C +ATOM 54 CA SER A 54 236.429 287.921 299.314 1.00 0.00 C +ATOM 55 CA GLU A 55 235.777 285.100 296.838 1.00 0.00 C +ATOM 56 CA GLU A 56 233.747 283.540 294.016 1.00 0.00 C +ATOM 57 CA GLU A 57 234.958 284.899 290.669 1.00 0.00 C +ATOM 58 CA GLU A 58 235.100 288.706 290.701 1.00 0.00 C +ATOM 59 CA GLU A 59 238.332 290.683 291.106 1.00 0.00 C +ATOM 60 CA ASP A 60 242.138 290.749 290.941 1.00 0.00 C +ATOM 61 CA ASP A 61 244.518 287.834 290.347 1.00 0.00 C +ATOM 62 CA GLU A 62 242.471 284.660 289.848 1.00 0.00 C +ATOM 63 CA ASP A 63 244.665 282.381 287.725 1.00 0.00 C +ATOM 64 CA GLU A 64 244.379 282.761 283.945 1.00 0.00 C +ATOM 65 CA SER A 65 244.466 286.408 282.845 1.00 0.00 C +ATOM 66 CA SER A 66 244.465 288.830 279.904 1.00 0.00 C +ATOM 67 CA ASP A 67 244.990 287.836 276.263 1.00 0.00 C +ATOM 68 CA ASP A 68 245.581 286.803 272.644 1.00 0.00 C +ATOM 69 CA GLY A 69 247.954 284.257 271.093 1.00 0.00 C +ATOM 70 CA GLU A 70 248.590 282.668 267.689 1.00 0.00 C +ATOM 71 CA LYS A 71 248.930 282.527 263.897 1.00 0.00 C +ATOM 72 CA PRO A 72 251.442 281.131 261.396 1.00 0.00 C +ATOM 73 CA GLU A 73 252.709 283.971 259.194 1.00 0.00 C +ATOM 74 CA MET A 74 254.200 284.920 255.819 1.00 0.00 C +ATOM 75 CA THR A 75 256.060 283.965 252.634 1.00 0.00 C +ATOM 76 CA ARG A 76 259.160 281.890 253.411 1.00 0.00 C +ATOM 77 CA GLU A 77 260.485 278.321 253.564 1.00 0.00 C +ATOM 78 CA GLU A 78 262.350 275.915 251.273 1.00 0.00 C +ATOM 79 CA ARG A 79 264.256 272.657 250.757 1.00 0.00 C +ATOM 80 CA LYS A 80 264.345 269.755 248.290 1.00 0.00 C +ATOM 81 CA LYS A 81 263.214 270.079 244.666 1.00 0.00 C +ATOM 82 CA LEU A 82 260.950 267.107 243.920 1.00 0.00 C +ATOM 83 CA ALA A 83 260.495 266.912 240.142 1.00 0.00 C +ATOM 84 CA LYS A 84 260.938 270.105 238.112 1.00 0.00 C +ATOM 85 CA ALA A 85 260.057 271.682 234.757 1.00 0.00 C +ATOM 86 CA ARG A 86 257.984 272.022 231.579 1.00 0.00 C +ATOM 87 CA LYS A 87 254.693 273.872 231.066 1.00 0.00 C +ATOM 88 CA GLU A 88 253.180 276.041 228.323 1.00 0.00 C +ATOM 89 CA ALA A 89 254.154 276.691 224.697 1.00 0.00 C +ATOM 90 CA ALA A 90 256.547 279.175 223.080 1.00 0.00 C +ATOM 91 CA ILE A 91 256.355 282.673 221.582 1.00 0.00 C +ATOM 92 CA ALA A 92 258.128 285.642 219.983 1.00 0.00 C +ATOM 93 CA LYS A 93 257.988 285.259 216.195 1.00 0.00 C +ATOM 94 CA GLN A 94 254.913 283.969 214.353 1.00 0.00 C +ATOM 95 CA LYS A 95 251.269 282.939 213.939 1.00 0.00 C +ATOM 96 CA GLN A 96 249.170 281.385 211.164 1.00 0.00 C +ATOM 97 CA LYS A 97 246.508 281.409 208.438 1.00 0.00 C +ATOM 98 CA VAL A 98 244.295 278.482 207.413 1.00 0.00 C +ATOM 99 CA ALA A 99 241.868 275.696 208.344 1.00 0.00 C +ATOM 100 CA ALA A 100 238.373 274.635 207.261 1.00 0.00 C +ATOM 101 CA PRO A 101 235.902 271.817 207.946 1.00 0.00 C +ATOM 102 CA GLY A 102 234.128 271.689 211.316 1.00 0.00 C +ATOM 103 CA ASP A 103 231.555 269.265 212.737 1.00 0.00 C +ATOM 104 CA LEU A 104 228.516 268.398 214.865 1.00 0.00 C +ATOM 105 CA PRO A 105 226.696 265.246 213.739 1.00 0.00 C +ATOM 106 CA THR A 106 228.272 261.791 213.434 1.00 0.00 C +ATOM 107 CA SER A 107 228.096 257.995 213.711 1.00 0.00 C +ATOM 108 CA SER A 108 225.986 254.990 212.693 1.00 0.00 C +ATOM 109 CA GLU A 109 228.165 251.869 212.528 1.00 0.00 C +ATOM 110 CA GLU A 110 227.923 248.818 210.260 1.00 0.00 C +ATOM 111 CA GLU A 111 227.086 250.148 206.789 1.00 0.00 C +ATOM 112 CA ASP A 112 226.485 250.322 203.031 1.00 0.00 C +ATOM 113 CA GLU A 113 228.106 253.521 201.745 1.00 0.00 C +ATOM 114 CA ASP A 114 230.975 255.582 200.317 1.00 0.00 C +ATOM 115 CA GLU A 115 233.666 253.623 198.464 1.00 0.00 C +ATOM 116 CA ASN A 116 235.039 250.583 200.305 1.00 0.00 C +ATOM 117 CA ASP A 117 238.844 250.426 200.427 1.00 0.00 C +ATOM 118 CA ALA A 118 242.025 252.026 199.071 1.00 0.00 C +ATOM 119 CA PRO A 119 244.402 254.931 199.722 1.00 0.00 C +ATOM 120 CA ALA A 120 244.650 258.011 197.493 1.00 0.00 C +ATOM 121 CA ASN A 121 247.469 260.453 196.717 1.00 0.00 C +ATOM 122 CA PRO A 122 246.805 262.890 193.864 1.00 0.00 C +ATOM 123 CA ASN A 123 243.096 262.494 193.087 1.00 0.00 C +ATOM 124 CA HIS A 124 239.733 261.107 194.218 1.00 0.00 C +ATOM 125 CA THR A 125 236.187 260.090 195.173 1.00 0.00 C +ATOM 126 CA ALA A 126 232.587 259.466 194.092 1.00 0.00 C +ATOM 127 CA ALA A 127 231.915 259.230 190.350 1.00 0.00 C +ATOM 128 CA ALA A 128 232.035 255.712 188.893 1.00 0.00 C +ATOM 129 CA ARG A 129 233.026 252.957 186.455 1.00 0.00 C +ATOM 130 CA ASN A 130 234.741 249.577 186.844 1.00 0.00 C +ATOM 131 CA GLN A 131 238.396 248.505 186.903 1.00 0.00 C +ATOM 132 CA ALA A 132 240.493 249.512 189.921 1.00 0.00 C +ATOM 133 CA SER A 133 243.216 252.040 190.762 1.00 0.00 C +ATOM 134 CA LYS A 134 245.765 251.905 193.591 1.00 0.00 C +ATOM 135 CA ALA A 135 247.252 249.143 195.754 1.00 0.00 C +ATOM 136 CA PRO A 136 249.340 248.082 198.758 1.00 0.00 C +ATOM 137 CA VAL A 137 250.394 246.811 202.192 1.00 0.00 C +ATOM 138 CA VAL A 138 253.507 244.734 202.911 1.00 0.00 C +ATOM 139 CA ALA A 139 256.037 242.253 201.512 1.00 0.00 C +ATOM 140 CA GLU A 140 256.681 238.537 202.048 1.00 0.00 C +ATOM 141 CA ALA A 141 260.255 237.940 200.870 1.00 0.00 C +ATOM 142 CA SER A 142 263.479 238.364 202.854 1.00 0.00 C +ATOM 143 CA GLY A 143 265.083 235.685 205.037 1.00 0.00 C +ATOM 144 CA ASP A 144 268.494 236.797 206.321 1.00 0.00 C +ATOM 145 CA LYS A 145 270.960 239.169 207.998 1.00 0.00 C +ATOM 146 CA LYS A 146 269.819 242.407 209.651 1.00 0.00 C +ATOM 147 CA LYS A 147 267.029 244.879 208.863 1.00 0.00 C +ATOM 148 CA ASP A 148 263.243 245.173 208.564 1.00 0.00 C +ATOM 149 CA VAL A 149 260.288 244.752 210.932 1.00 0.00 C +ATOM 150 CA SER A 150 256.603 244.207 210.132 1.00 0.00 C +ATOM 151 CA GLN A 151 255.693 240.660 209.081 1.00 0.00 C +ATOM 152 CA LEU A 152 254.960 236.936 208.747 1.00 0.00 C +ATOM 153 CA SER A 153 256.155 233.580 207.396 1.00 0.00 C +ATOM 154 CA ARG A 154 259.810 232.552 207.087 1.00 0.00 C +ATOM 155 CA ARG A 155 261.002 229.215 205.686 1.00 0.00 C +ATOM 156 CA GLU A 156 260.728 225.983 207.685 1.00 0.00 C +ATOM 157 CA ARG A 157 262.559 223.228 205.795 1.00 0.00 C +ATOM 158 CA GLU A 158 261.911 220.974 202.793 1.00 0.00 C +ATOM 159 CA ALA A 159 263.657 217.975 201.219 1.00 0.00 C +ATOM 160 CA LEU A 160 263.532 214.192 201.654 1.00 0.00 C +ATOM 161 CA GLN A 161 267.024 212.904 202.466 1.00 0.00 C +ATOM 162 CA ALA A 162 269.279 212.005 205.403 1.00 0.00 C +ATOM 163 CA GLN A 163 272.705 211.833 207.061 1.00 0.00 C +ATOM 164 CA GLN A 164 275.116 210.487 209.686 1.00 0.00 C +ATOM 165 CA ALA A 165 277.550 213.089 211.035 1.00 0.00 C +ATOM 166 CA LYS A 166 281.337 213.510 211.046 1.00 0.00 C +ATOM 167 CA GLU A 167 282.978 210.984 213.379 1.00 0.00 C +ATOM 168 CA ARG A 168 285.411 210.920 216.311 1.00 0.00 C +ATOM 169 CA TYR A 169 284.219 210.296 219.875 1.00 0.00 C +ATOM 170 CA GLN A 170 282.667 206.826 220.131 1.00 0.00 C +ATOM 171 CA LYS A 171 279.356 205.200 221.085 1.00 0.00 C +ATOM 172 CA LEU A 172 277.140 202.168 220.441 1.00 0.00 C +ATOM 173 CA HIS A 173 276.697 198.755 218.806 1.00 0.00 C +ATOM 174 CA ALA A 174 274.401 198.119 215.832 1.00 0.00 C +ATOM 175 CA GLU A 175 272.510 198.874 212.612 1.00 0.00 C +ATOM 176 CA GLY A 176 271.196 202.439 212.323 1.00 0.00 C +ATOM 177 CA LYS A 177 270.719 203.882 215.817 1.00 0.00 C +ATOM 178 CA THR A 178 273.081 206.611 217.039 1.00 0.00 C +ATOM 179 CA GLU A 179 272.391 210.356 217.146 1.00 0.00 C +ATOM 180 CA GLU A 180 272.652 213.483 214.984 1.00 0.00 C +ATOM 181 CA ALA A 181 270.007 214.536 212.452 1.00 0.00 C +ATOM 182 CA ARG A 182 266.576 214.637 210.799 1.00 0.00 C +ATOM 183 CA ALA A 183 263.910 216.861 212.368 1.00 0.00 C +ATOM 184 CA ASP A 184 260.449 217.921 213.555 1.00 0.00 C +ATOM 185 CA LEU A 185 258.202 216.800 216.421 1.00 0.00 C +ATOM 186 CA GLU A 186 255.214 214.554 215.683 1.00 0.00 C +ATOM 187 CA ARG A 187 252.555 215.416 213.094 1.00 0.00 C +ATOM 188 CA LEU A 188 251.495 219.075 213.179 1.00 0.00 C +ATOM 189 CA ARG A 189 247.897 220.159 213.808 1.00 0.00 C +ATOM 190 CA LEU A 190 244.356 219.797 215.167 1.00 0.00 C +ATOM 191 CA VAL A 191 244.308 219.795 218.976 1.00 0.00 C +ATOM 192 CA ARG A 192 245.975 219.522 222.391 1.00 0.00 C +ATOM 193 CA GLU A 193 244.499 218.340 225.699 1.00 0.00 C +ATOM 194 CA ARG A 194 243.212 216.250 228.613 1.00 0.00 C +ATOM 195 CA ARG A 195 241.832 214.679 231.798 1.00 0.00 C +ATOM 196 CA GLU A 196 244.633 212.890 233.660 1.00 0.00 C +ATOM 197 CA ALA A 197 245.837 214.855 236.694 1.00 0.00 C +ATOM 198 CA GLU A 198 247.811 213.060 239.414 1.00 0.00 C +ATOM 199 CA ALA A 199 251.132 214.847 239.955 1.00 0.00 C +ATOM 200 CA ALA A 200 252.967 215.745 243.171 1.00 0.00 C +ATOM 201 CA ARG A 201 256.146 217.838 243.340 1.00 0.00 C +ATOM 202 CA LYS A 202 258.807 220.311 244.487 1.00 0.00 C +ATOM 203 CA LYS A 203 259.563 223.995 245.097 1.00 0.00 C +ATOM 204 CA ALA A 204 259.292 227.249 243.134 1.00 0.00 C +ATOM 205 CA GLU A 205 262.511 227.529 241.115 1.00 0.00 C +ATOM 206 CA ALA A 206 264.684 224.436 241.593 1.00 0.00 C +ATOM 207 CA GLU A 207 265.288 221.328 243.712 1.00 0.00 C +ATOM 208 CA GLU A 208 268.826 220.960 245.077 1.00 0.00 C +ATOM 209 CA ARG A 209 270.961 219.059 247.596 1.00 0.00 C +ATOM 210 CA ALA A 210 272.643 215.759 248.489 1.00 0.00 C +ATOM 211 CA GLU A 211 270.472 213.634 250.788 1.00 0.00 C +ATOM 212 CA GLN A 212 266.699 213.277 250.390 1.00 0.00 C +ATOM 213 CA GLU A 213 264.228 210.935 252.099 1.00 0.00 C +ATOM 214 CA LYS A 214 261.297 210.729 254.524 1.00 0.00 C +ATOM 215 CA SER A 215 259.547 207.850 256.303 1.00 0.00 C +ATOM 216 CA LYS A 216 256.479 207.145 254.156 1.00 0.00 C +ATOM 217 CA ALA A 217 253.705 209.674 253.503 1.00 0.00 C +ATOM 218 CA GLU A 218 250.841 212.021 254.398 1.00 0.00 C +ATOM 219 CA GLN A 219 248.722 213.734 251.735 1.00 0.00 C +ATOM 220 CA MET A 220 245.175 212.410 251.312 1.00 0.00 C +ATOM 221 CA ALA A 221 241.612 211.068 251.167 1.00 0.00 C +ATOM 222 CA ARG A 222 237.823 211.424 251.001 1.00 0.00 C +ATOM 223 CA GLU A 223 234.038 211.850 251.127 1.00 0.00 C +ATOM 224 CA GLN A 224 231.612 214.244 252.828 1.00 0.00 C +ATOM 225 CA ARG A 225 228.119 215.186 251.635 1.00 0.00 C +ATOM 226 CA MET A 226 228.380 215.513 247.848 1.00 0.00 C +ATOM 227 CA ARG A 227 229.151 214.892 244.169 1.00 0.00 C +ATOM 228 CA GLU A 228 231.289 211.859 243.307 1.00 0.00 C +ATOM 229 CA ALA A 229 234.891 211.531 242.108 1.00 0.00 C +ATOM 230 CA ALA A 230 236.473 214.951 242.668 1.00 0.00 C +ATOM 231 CA ALA A 231 237.968 218.246 241.473 1.00 0.00 C +ATOM 232 CA GLY A 232 239.003 221.715 240.285 1.00 0.00 C +ATOM 233 CA GLY A 233 242.033 221.685 237.977 1.00 0.00 C +ATOM 234 CA PRO A 234 240.996 220.067 234.687 1.00 0.00 C +ATOM 235 CA LYS A 235 239.335 220.139 231.259 1.00 0.00 C +ATOM 236 CA LYS A 236 238.956 222.342 228.174 1.00 0.00 C +ATOM 237 CA THR A 237 235.915 224.152 226.762 1.00 0.00 C +ATOM 238 CA ARG A 238 235.904 223.812 222.967 1.00 0.00 C +ATOM 239 CA GLY A 239 235.684 220.407 221.271 1.00 0.00 C +ATOM 240 CA LYS A 240 234.028 218.440 218.460 1.00 0.00 C +ATOM 241 CA LYS A 241 231.665 220.263 216.091 1.00 0.00 C +ATOM 242 CA LYS A 242 228.066 219.128 216.622 1.00 0.00 C +ATOM 243 CA ALA A 243 225.389 220.075 214.083 1.00 0.00 C +TER 244 ALA A 243 +END diff --git a/Fungi/A0A9P4X5C2/A0A9P4X5C2.dcd b/Fungi/A0A9P4X5C2/A0A9P4X5C2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d8beac7ca05fc99f971d538dbc79769592f28fd8 --- /dev/null +++ b/Fungi/A0A9P4X5C2/A0A9P4X5C2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:930ca8a7aebb0da59699bd9b6d417879f2f77eba3427be585b5583d19783fbd4 +size 10040276 diff --git a/Fungi/A0A9P4X5C2/top.pdb b/Fungi/A0A9P4X5C2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ad06bd6c487f02cab19040080baa247f0395b040 --- /dev/null +++ b/Fungi/A0A9P4X5C2/top.pdb @@ -0,0 +1,81 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 233.955 242.324 274.832 1.00 0.00 C +ATOM 2 CA ASP A 2 235.397 245.753 274.005 1.00 0.00 C +ATOM 3 CA SER A 3 236.786 247.479 270.906 1.00 0.00 C +ATOM 4 CA SER A 4 239.416 249.318 268.853 1.00 0.00 C +ATOM 5 CA PRO A 5 241.650 247.709 266.220 1.00 0.00 C +ATOM 6 CA PRO A 6 242.065 249.616 262.947 1.00 0.00 C +ATOM 7 CA THR A 7 239.410 249.482 260.218 1.00 0.00 C +ATOM 8 CA THR A 8 239.351 250.322 256.502 1.00 0.00 C +ATOM 9 CA PRO A 9 240.566 248.004 253.733 1.00 0.00 C +ATOM 10 CA THR A 10 239.496 245.279 251.294 1.00 0.00 C +ATOM 11 CA LYS A 11 235.766 244.540 251.526 1.00 0.00 C +ATOM 12 CA THR A 12 234.569 241.252 250.018 1.00 0.00 C +ATOM 13 CA GLN A 13 231.849 239.608 252.119 1.00 0.00 C +ATOM 14 CA ASN A 14 228.836 237.582 250.966 1.00 0.00 C +ATOM 15 CA PRO A 15 228.057 233.867 251.291 1.00 0.00 C +ATOM 16 CA GLN A 16 227.516 231.556 248.310 1.00 0.00 C +ATOM 17 CA GLN A 17 229.696 232.351 245.289 1.00 0.00 C +ATOM 18 CA SER A 18 233.187 230.979 244.619 1.00 0.00 C +ATOM 19 CA SER A 19 236.209 233.294 244.453 1.00 0.00 C +ATOM 20 CA PRO A 20 235.299 236.654 242.903 1.00 0.00 C +ATOM 21 CA HIS A 21 232.325 238.190 241.084 1.00 0.00 C +ATOM 22 CA PRO A 22 233.583 241.012 238.856 1.00 0.00 C +ATOM 23 CA GLN A 23 232.090 244.441 238.128 1.00 0.00 C +ATOM 24 CA ASP A 24 231.189 245.353 234.541 1.00 0.00 C +ATOM 25 CA SER A 25 231.720 248.342 232.239 1.00 0.00 C +ATOM 26 CA SER A 26 234.915 250.418 232.224 1.00 0.00 C +ATOM 27 CA PRO A 27 236.544 253.860 232.094 1.00 0.00 C +ATOM 28 CA ALA A 28 239.042 255.409 229.670 1.00 0.00 C +ATOM 29 CA CYS A 29 241.968 252.986 229.375 1.00 0.00 C +ATOM 30 CA GLN A 30 244.537 254.816 227.238 1.00 0.00 C +ATOM 31 CA SER A 31 247.666 254.639 225.070 1.00 0.00 C +ATOM 32 CA ALA A 32 251.280 255.519 225.894 1.00 0.00 C +ATOM 33 CA ILE A 33 253.488 252.415 225.788 1.00 0.00 C +ATOM 34 CA LYS A 34 256.907 253.323 227.201 1.00 0.00 C +ATOM 35 CA HIS A 35 257.540 256.009 229.828 1.00 0.00 C +ATOM 36 CA SER A 36 255.903 257.677 232.837 1.00 0.00 C +ATOM 37 CA SER A 37 255.655 255.237 235.753 1.00 0.00 C +ATOM 38 CA SER A 38 257.973 252.570 237.178 1.00 0.00 C +ATOM 39 CA TRP A 39 260.973 250.270 237.651 1.00 0.00 C +ATOM 40 CA LYS A 40 262.857 247.323 239.161 1.00 0.00 C +ATOM 41 CA PRO A 41 265.508 246.149 241.634 1.00 0.00 C +ATOM 42 CA SER A 42 263.975 246.497 245.104 1.00 0.00 C +ATOM 43 CA SER A 43 260.397 247.094 246.270 1.00 0.00 C +ATOM 44 CA LEU A 44 259.781 249.322 249.298 1.00 0.00 C +ATOM 45 CA ASP A 45 258.356 248.441 252.720 1.00 0.00 C +ATOM 46 CA ARG A 46 259.866 250.197 255.745 1.00 0.00 C +ATOM 47 CA ARG A 47 258.686 251.580 259.094 1.00 0.00 C +ATOM 48 CA LEU A 48 256.177 251.626 261.961 1.00 0.00 C +ATOM 49 CA SER A 49 256.073 248.267 263.755 1.00 0.00 C +ATOM 50 CA TRP A 50 255.550 246.877 267.264 1.00 0.00 C +ATOM 51 CA SER A 51 255.440 249.889 269.595 1.00 0.00 C +ATOM 52 CA SER A 52 253.940 253.057 268.101 1.00 0.00 C +ATOM 53 CA GLN A 53 253.051 256.657 267.226 1.00 0.00 C +ATOM 54 CA ASP A 54 252.745 259.558 269.677 1.00 0.00 C +ATOM 55 CA GLN A 55 256.144 260.372 271.194 1.00 0.00 C +ATOM 56 CA LYS A 56 258.538 261.590 268.492 1.00 0.00 C +ATOM 57 CA HIS A 57 261.722 261.449 266.403 1.00 0.00 C +ATOM 58 CA ALA A 58 263.619 258.406 265.115 1.00 0.00 C +ATOM 59 CA LEU A 59 261.954 255.641 263.092 1.00 0.00 C +ATOM 60 CA GLN A 60 262.601 256.510 259.439 1.00 0.00 C +ATOM 61 CA MET A 61 262.051 260.251 258.970 1.00 0.00 C +ATOM 62 CA SER A 62 264.928 262.728 258.644 1.00 0.00 C +ATOM 63 CA GLY A 63 268.092 260.677 259.189 1.00 0.00 C +ATOM 64 CA ILE A 64 270.999 258.218 259.347 1.00 0.00 C +ATOM 65 CA ASP A 65 273.759 256.329 257.523 1.00 0.00 C +ATOM 66 CA GLY A 66 272.751 254.233 254.505 1.00 0.00 C +ATOM 67 CA VAL A 67 270.287 255.428 251.856 1.00 0.00 C +ATOM 68 CA ARG A 68 267.214 256.681 249.984 1.00 0.00 C +ATOM 69 CA SER A 69 263.960 254.728 249.654 1.00 0.00 C +ATOM 70 CA GLY A 70 262.867 254.174 246.047 1.00 0.00 C +ATOM 71 CA HIS A 71 260.877 253.152 242.963 1.00 0.00 C +ATOM 72 CA GLN A 72 257.659 255.191 243.038 1.00 0.00 C +ATOM 73 CA GLY A 73 255.159 254.646 245.861 1.00 0.00 C +ATOM 74 CA PHE A 74 252.298 253.299 247.985 1.00 0.00 C +ATOM 75 CA THR A 75 250.185 250.714 246.149 1.00 0.00 C +ATOM 76 CA GLU A 76 247.461 248.077 245.774 1.00 0.00 C +ATOM 77 CA ARG A 77 248.099 245.513 248.519 1.00 0.00 C +TER 78 ARG A 77 +END diff --git a/Fungi/A0A9P4X6N6/A0A9P4X6N6.dcd b/Fungi/A0A9P4X6N6/A0A9P4X6N6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..7aa2794aad7b637c503bf26af570fa2961167421 --- /dev/null +++ b/Fungi/A0A9P4X6N6/A0A9P4X6N6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5cda60fa2ece23d7cf569601375c43df6af255aeb88d9dfafa2305f002532af1 +size 17720276 diff --git a/Fungi/A0A9P4X6N6/top.pdb b/Fungi/A0A9P4X6N6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..93cd79372c63df1231a5d43f31162d88b7c82eb9 --- /dev/null +++ b/Fungi/A0A9P4X6N6/top.pdb @@ -0,0 +1,145 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 268.906 271.814 226.316 1.00 0.00 C +ATOM 2 CA GLU A 2 267.833 268.403 225.001 1.00 0.00 C +ATOM 3 CA ARG A 3 267.307 264.661 225.490 1.00 0.00 C +ATOM 4 CA PRO A 4 267.367 260.915 224.802 1.00 0.00 C +ATOM 5 CA GLU A 5 268.560 257.303 225.020 1.00 0.00 C +ATOM 6 CA ALA A 6 269.935 254.623 227.353 1.00 0.00 C +ATOM 7 CA GLU A 7 270.556 255.999 230.851 1.00 0.00 C +ATOM 8 CA GLU A 8 270.468 258.793 233.440 1.00 0.00 C +ATOM 9 CA ARG A 9 271.911 258.179 236.913 1.00 0.00 C +ATOM 10 CA ASP A 10 271.112 260.887 239.470 1.00 0.00 C +ATOM 11 CA ASN A 11 268.253 263.131 240.612 1.00 0.00 C +ATOM 12 CA ASN A 12 264.590 262.495 239.778 1.00 0.00 C +ATOM 13 CA LEU A 13 261.438 263.138 237.737 1.00 0.00 C +ATOM 14 CA GLU A 14 260.788 265.178 234.585 1.00 0.00 C +ATOM 15 CA ASP A 15 259.403 267.673 232.060 1.00 0.00 C +ATOM 16 CA LEU A 16 256.702 269.962 233.467 1.00 0.00 C +ATOM 17 CA GLU A 17 252.904 269.919 233.168 1.00 0.00 C +ATOM 18 CA PHE A 18 252.108 271.097 229.633 1.00 0.00 C +ATOM 19 CA GLU A 19 250.215 268.199 228.041 1.00 0.00 C +ATOM 20 CA GLY A 20 247.653 269.379 225.480 1.00 0.00 C +ATOM 21 CA GLU A 21 248.251 268.320 221.869 1.00 0.00 C +ATOM 22 CA ASP A 22 248.390 265.662 219.143 1.00 0.00 C +ATOM 23 CA GLY A 23 249.775 262.390 220.521 1.00 0.00 C +ATOM 24 CA VAL A 24 251.686 259.129 220.045 1.00 0.00 C +ATOM 25 CA THR A 25 253.386 259.521 216.658 1.00 0.00 C +ATOM 26 CA ASP A 26 255.332 260.163 213.446 1.00 0.00 C +ATOM 27 CA MET A 27 254.261 262.879 210.997 1.00 0.00 C +ATOM 28 CA GLU A 28 252.135 264.587 208.337 1.00 0.00 C +ATOM 29 CA GLY A 29 248.461 265.511 208.742 1.00 0.00 C +ATOM 30 CA LEU A 30 245.909 263.820 211.011 1.00 0.00 C +ATOM 31 CA GLU A 31 244.790 260.799 213.044 1.00 0.00 C +ATOM 32 CA VAL A 32 241.821 261.893 215.166 1.00 0.00 C +ATOM 33 CA GLY A 33 242.424 265.223 216.918 1.00 0.00 C +ATOM 34 CA ARG A 34 241.261 266.204 220.411 1.00 0.00 C +ATOM 35 CA GLU A 35 237.531 266.426 221.152 1.00 0.00 C +ATOM 36 CA GLU A 36 236.058 262.936 221.563 1.00 0.00 C +ATOM 37 CA SER A 37 236.664 259.249 222.308 1.00 0.00 C +ATOM 38 CA LYS A 38 234.370 256.552 223.715 1.00 0.00 C +ATOM 39 CA GLU A 39 232.650 255.443 226.929 1.00 0.00 C +ATOM 40 CA SER A 40 229.338 253.606 227.340 1.00 0.00 C +ATOM 41 CA GLU A 41 230.087 249.945 228.087 1.00 0.00 C +ATOM 42 CA GLU A 42 228.820 247.614 230.821 1.00 0.00 C +ATOM 43 CA SER A 43 229.762 246.517 234.346 1.00 0.00 C +ATOM 44 CA ASN A 44 231.171 244.155 236.983 1.00 0.00 C +ATOM 45 CA ILE A 45 232.502 244.294 240.550 1.00 0.00 C +ATOM 46 CA ASP A 46 233.994 247.760 241.081 1.00 0.00 C +ATOM 47 CA GLY A 47 232.467 249.745 243.952 1.00 0.00 C +ATOM 48 CA ASP A 48 231.073 250.257 247.460 1.00 0.00 C +ATOM 49 CA ILE A 49 233.369 249.949 250.485 1.00 0.00 C +ATOM 50 CA SER A 50 235.440 247.185 252.093 1.00 0.00 C +ATOM 51 CA MET A 51 238.633 245.143 252.482 1.00 0.00 C +ATOM 52 CA GLU A 52 241.240 246.738 254.757 1.00 0.00 C +ATOM 53 CA ARG A 53 243.175 248.974 257.160 1.00 0.00 C +ATOM 54 CA PRO A 54 240.790 251.845 257.922 1.00 0.00 C +ATOM 55 CA GLU A 55 239.839 252.067 261.604 1.00 0.00 C +ATOM 56 CA ALA A 56 236.638 251.543 263.605 1.00 0.00 C +ATOM 57 CA GLU A 57 235.808 250.215 267.078 1.00 0.00 C +ATOM 58 CA GLU A 58 238.610 250.279 269.658 1.00 0.00 C +ATOM 59 CA ARG A 59 240.452 251.146 272.879 1.00 0.00 C +ATOM 60 CA ASP A 60 240.524 253.633 275.764 1.00 0.00 C +ATOM 61 CA ASN A 61 239.893 257.386 275.573 1.00 0.00 C +ATOM 62 CA ASN A 62 236.400 258.510 274.547 1.00 0.00 C +ATOM 63 CA LEU A 63 233.032 260.247 274.152 1.00 0.00 C +ATOM 64 CA GLU A 64 229.372 260.628 273.168 1.00 0.00 C +ATOM 65 CA ASP A 65 228.152 264.206 272.687 1.00 0.00 C +ATOM 66 CA LEU A 66 229.455 266.149 269.681 1.00 0.00 C +ATOM 67 CA GLU A 67 232.675 266.983 267.822 1.00 0.00 C +ATOM 68 CA PHE A 68 235.585 269.354 268.476 1.00 0.00 C +ATOM 69 CA GLU A 69 238.675 267.262 267.709 1.00 0.00 C +ATOM 70 CA GLY A 70 242.209 267.820 266.400 1.00 0.00 C +ATOM 71 CA GLU A 71 244.343 267.336 263.280 1.00 0.00 C +ATOM 72 CA ASP A 72 244.553 270.481 261.139 1.00 0.00 C +ATOM 73 CA GLY A 73 244.638 271.914 257.610 1.00 0.00 C +ATOM 74 CA VAL A 74 247.488 273.305 255.497 1.00 0.00 C +ATOM 75 CA THR A 75 248.951 272.753 252.023 1.00 0.00 C +ATOM 76 CA ASP A 76 251.964 272.477 249.708 1.00 0.00 C +ATOM 77 CA MET A 77 254.422 269.791 248.585 1.00 0.00 C +ATOM 78 CA GLU A 78 254.945 266.033 248.248 1.00 0.00 C +ATOM 79 CA GLY A 79 256.502 263.768 250.886 1.00 0.00 C +ATOM 80 CA LEU A 80 256.653 260.166 249.653 1.00 0.00 C +ATOM 81 CA GLU A 81 256.602 256.392 250.170 1.00 0.00 C +ATOM 82 CA VAL A 82 259.893 255.004 248.842 1.00 0.00 C +ATOM 83 CA GLY A 83 259.374 251.247 248.482 1.00 0.00 C +ATOM 84 CA HIS A 84 259.192 249.380 251.799 1.00 0.00 C +ATOM 85 CA GLU A 85 261.744 248.575 254.511 1.00 0.00 C +ATOM 86 CA GLU A 86 263.845 245.865 256.171 1.00 0.00 C +ATOM 87 CA SER A 87 261.695 244.525 259.016 1.00 0.00 C +ATOM 88 CA LYS A 88 259.484 243.822 262.038 1.00 0.00 C +ATOM 89 CA GLU A 89 257.956 247.116 263.192 1.00 0.00 C +ATOM 90 CA SER A 90 255.722 250.035 264.193 1.00 0.00 C +ATOM 91 CA GLU A 91 253.709 253.265 264.025 1.00 0.00 C +ATOM 92 CA GLU A 92 250.956 255.900 264.061 1.00 0.00 C +ATOM 93 CA SER A 93 248.659 255.066 266.984 1.00 0.00 C +ATOM 94 CA GLU A 94 244.917 254.353 266.886 1.00 0.00 C +ATOM 95 CA GLU A 95 243.176 257.712 267.330 1.00 0.00 C +ATOM 96 CA SER A 96 243.612 260.309 264.576 1.00 0.00 C +ATOM 97 CA GLU A 97 245.183 261.530 261.327 1.00 0.00 C +ATOM 98 CA GLU A 98 246.640 261.611 257.808 1.00 0.00 C +ATOM 99 CA SER A 99 247.274 262.581 254.178 1.00 0.00 C +ATOM 100 CA GLU A 100 247.622 259.363 252.169 1.00 0.00 C +ATOM 101 CA GLU A 101 249.928 256.450 251.325 1.00 0.00 C +ATOM 102 CA SER A 102 251.511 253.136 252.338 1.00 0.00 C +ATOM 103 CA ASP A 103 251.627 250.016 254.522 1.00 0.00 C +ATOM 104 CA ILE A 104 252.556 250.583 258.173 1.00 0.00 C +ATOM 105 CA ASP A 105 249.362 250.051 260.181 1.00 0.00 C +ATOM 106 CA GLY A 106 249.086 247.910 263.320 1.00 0.00 C +ATOM 107 CA ASP A 107 247.463 244.491 262.879 1.00 0.00 C +ATOM 108 CA ILE A 108 246.200 241.088 264.037 1.00 0.00 C +ATOM 109 CA SER A 109 247.800 239.353 267.028 1.00 0.00 C +ATOM 110 CA MET A 110 250.588 237.546 268.893 1.00 0.00 C +ATOM 111 CA GLY A 111 251.139 233.781 268.699 1.00 0.00 C +ATOM 112 CA ARG A 112 248.996 230.705 268.017 1.00 0.00 C +ATOM 113 CA GLN A 113 248.643 229.199 264.536 1.00 0.00 C +ATOM 114 CA GLU A 114 250.892 231.342 262.331 1.00 0.00 C +ATOM 115 CA ILE A 115 252.761 234.129 260.526 1.00 0.00 C +ATOM 116 CA GLU A 116 255.410 235.544 258.181 1.00 0.00 C +ATOM 117 CA ASP A 117 258.989 234.709 259.184 1.00 0.00 C +ATOM 118 CA ARG A 118 260.793 231.905 257.340 1.00 0.00 C +ATOM 119 CA VAL A 119 263.158 231.345 254.406 1.00 0.00 C +ATOM 120 CA GLY A 120 266.638 232.464 255.479 1.00 0.00 C +ATOM 121 CA GLY A 121 270.008 233.229 257.084 1.00 0.00 C +ATOM 122 CA ILE A 122 269.358 232.972 260.830 1.00 0.00 C +ATOM 123 CA ASN A 123 270.778 229.588 261.855 1.00 0.00 C +ATOM 124 CA ILE A 124 269.226 226.135 261.429 1.00 0.00 C +ATOM 125 CA ASP A 125 265.528 226.173 262.346 1.00 0.00 C +ATOM 126 CA ARG A 126 261.723 226.000 262.282 1.00 0.00 C +ATOM 127 CA SER A 127 260.812 222.301 262.240 1.00 0.00 C +ATOM 128 CA ALA A 128 259.302 219.116 263.688 1.00 0.00 C +ATOM 129 CA GLY A 129 257.290 219.098 266.923 1.00 0.00 C +ATOM 130 CA THR A 130 255.269 216.060 268.019 1.00 0.00 C +ATOM 131 CA ASP A 131 254.657 212.719 266.292 1.00 0.00 C +ATOM 132 CA GLU A 132 257.697 210.549 267.042 1.00 0.00 C +ATOM 133 CA ASP A 133 258.139 207.656 264.602 1.00 0.00 C +ATOM 134 CA THR A 134 256.587 204.698 262.770 1.00 0.00 C +ATOM 135 CA SER A 135 253.213 203.740 264.258 1.00 0.00 C +ATOM 136 CA GLY A 136 251.147 206.196 266.311 1.00 0.00 C +ATOM 137 CA THR A 137 249.541 209.381 267.651 1.00 0.00 C +ATOM 138 CA SER A 138 246.996 210.364 270.309 1.00 0.00 C +ATOM 139 CA GLU A 139 248.545 211.565 273.576 1.00 0.00 C +ATOM 140 CA ILE A 140 248.299 213.487 276.857 1.00 0.00 C +ATOM 141 CA THR A 141 248.287 211.944 280.340 1.00 0.00 C +TER 142 THR A 141 +END diff --git a/Fungi/A0A9P4XJC1/A0A9P4XJC1.dcd b/Fungi/A0A9P4XJC1/A0A9P4XJC1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..9ccf4bcaafe5036906c4c0673f888cee5b230264 --- /dev/null +++ b/Fungi/A0A9P4XJC1/A0A9P4XJC1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:01983033e4f73e6728b86788cdfb3cd12241471ea30f15dac4c9655da150d755 +size 24080276 diff --git a/Fungi/A0A9P4XJC1/top.pdb b/Fungi/A0A9P4XJC1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..778eae39b8f7a53ee2182017dc386dbbaa11d13a --- /dev/null +++ b/Fungi/A0A9P4XJC1/top.pdb @@ -0,0 +1,198 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 257.381 188.783 199.981 1.00 0.00 C +ATOM 2 CA SER A 2 255.156 186.046 201.421 1.00 0.00 C +ATOM 3 CA TYR A 3 256.003 185.319 205.064 1.00 0.00 C +ATOM 4 CA GLY A 4 256.706 186.923 208.448 1.00 0.00 C +ATOM 5 CA GLY A 5 258.065 189.865 210.451 1.00 0.00 C +ATOM 6 CA ASP A 6 256.635 193.309 209.670 1.00 0.00 C +ATOM 7 CA ASN A 7 254.502 195.932 211.426 1.00 0.00 C +ATOM 8 CA ASN A 8 254.464 195.806 215.234 1.00 0.00 C +ATOM 9 CA ASP A 9 254.432 193.308 218.111 1.00 0.00 C +ATOM 10 CA ASN A 10 251.428 191.718 219.831 1.00 0.00 C +ATOM 11 CA SER A 11 248.781 194.272 220.825 1.00 0.00 C +ATOM 12 CA ARG A 12 246.219 196.895 221.858 1.00 0.00 C +ATOM 13 CA ARG A 13 243.751 198.656 219.551 1.00 0.00 C +ATOM 14 CA ASN A 14 241.763 201.326 221.405 1.00 0.00 C +ATOM 15 CA ASP A 15 241.039 205.010 222.053 1.00 0.00 C +ATOM 16 CA ASP A 16 240.827 206.555 225.529 1.00 0.00 C +ATOM 17 CA ASN A 17 239.129 209.099 227.800 1.00 0.00 C +ATOM 18 CA PHE A 18 240.721 209.570 231.230 1.00 0.00 C +ATOM 19 CA GLY A 19 238.895 211.931 233.598 1.00 0.00 C +ATOM 20 CA SER A 20 240.084 211.952 237.218 1.00 0.00 C +ATOM 21 CA GLY A 21 243.577 212.405 238.671 1.00 0.00 C +ATOM 22 CA GLY A 22 246.171 211.530 236.022 1.00 0.00 C +ATOM 23 CA ASP A 23 249.830 212.590 235.955 1.00 0.00 C +ATOM 24 CA SER A 24 252.821 214.752 236.902 1.00 0.00 C +ATOM 25 CA PHE A 25 256.518 214.102 236.255 1.00 0.00 C +ATOM 26 CA GLY A 26 259.642 216.179 235.587 1.00 0.00 C +ATOM 27 CA SER A 27 259.471 219.985 235.552 1.00 0.00 C +ATOM 28 CA GLY A 28 261.781 222.927 236.275 1.00 0.00 C +ATOM 29 CA GLY A 29 265.051 224.686 237.129 1.00 0.00 C +ATOM 30 CA ASN A 30 266.571 224.028 240.560 1.00 0.00 C +ATOM 31 CA GLN A 31 270.356 224.178 240.972 1.00 0.00 C +ATOM 32 CA GLN A 32 274.039 224.759 241.753 1.00 0.00 C +ATOM 33 CA TYR A 33 275.577 222.068 243.970 1.00 0.00 C +ATOM 34 CA GLY A 34 276.468 218.457 244.795 1.00 0.00 C +ATOM 35 CA SER A 35 277.726 215.449 242.825 1.00 0.00 C +ATOM 36 CA GLY A 36 281.441 214.638 242.580 1.00 0.00 C +ATOM 37 CA GLY A 37 282.123 211.139 241.235 1.00 0.00 C +ATOM 38 CA GLY A 38 285.284 211.027 239.111 1.00 0.00 C +ATOM 39 CA ASP A 39 288.366 213.124 239.897 1.00 0.00 C +ATOM 40 CA SER A 40 289.578 212.362 243.428 1.00 0.00 C +ATOM 41 CA PHE A 41 287.896 211.482 246.731 1.00 0.00 C +ATOM 42 CA GLY A 42 285.239 208.802 247.252 1.00 0.00 C +ATOM 43 CA SER A 43 282.552 206.105 247.084 1.00 0.00 C +ATOM 44 CA GLY A 44 281.208 202.954 245.416 1.00 0.00 C +ATOM 45 CA GLY A 45 279.377 199.941 243.973 1.00 0.00 C +ATOM 46 CA ASP A 46 278.743 198.527 240.493 1.00 0.00 C +ATOM 47 CA SER A 47 279.801 200.502 237.412 1.00 0.00 C +ATOM 48 CA TYR A 48 280.342 204.273 237.441 1.00 0.00 C +ATOM 49 CA GLY A 49 284.007 205.081 238.095 1.00 0.00 C +ATOM 50 CA SER A 50 286.673 202.395 238.541 1.00 0.00 C +ATOM 51 CA GLY A 51 287.083 201.268 242.157 1.00 0.00 C +ATOM 52 CA GLY A 52 287.878 197.549 241.933 1.00 0.00 C +ATOM 53 CA ASN A 53 291.486 197.008 243.031 1.00 0.00 C +ATOM 54 CA GLN A 54 294.541 198.108 241.038 1.00 0.00 C +ATOM 55 CA PHE A 55 296.835 200.679 239.412 1.00 0.00 C +ATOM 56 CA GLY A 56 296.590 203.696 237.099 1.00 0.00 C +ATOM 57 CA SER A 57 297.995 203.390 233.570 1.00 0.00 C +ATOM 58 CA GLY A 58 296.766 206.452 231.664 1.00 0.00 C +ATOM 59 CA ASN A 59 293.765 207.700 229.677 1.00 0.00 C +ATOM 60 CA ARG A 60 290.348 208.806 230.949 1.00 0.00 C +ATOM 61 CA ARG A 61 290.611 210.036 234.546 1.00 0.00 C +ATOM 62 CA ASN A 62 292.709 212.979 235.750 1.00 0.00 C +ATOM 63 CA ASP A 63 296.463 212.872 236.391 1.00 0.00 C +ATOM 64 CA ASP A 64 298.111 216.133 237.471 1.00 0.00 C +ATOM 65 CA SER A 65 301.548 217.748 237.165 1.00 0.00 C +ATOM 66 CA SER A 66 303.444 221.050 237.022 1.00 0.00 C +ATOM 67 CA PHE A 67 303.564 223.652 239.802 1.00 0.00 C +ATOM 68 CA GLY A 68 304.126 227.389 239.316 1.00 0.00 C +ATOM 69 CA THR A 69 306.495 230.326 238.784 1.00 0.00 C +ATOM 70 CA SER A 70 306.125 233.331 241.096 1.00 0.00 C +ATOM 71 CA GLY A 71 304.075 236.138 239.535 1.00 0.00 C +ATOM 72 CA GLN A 72 301.802 237.873 237.017 1.00 0.00 C +ATOM 73 CA GLY A 73 298.759 240.114 236.532 1.00 0.00 C +ATOM 74 CA GLU A 74 295.224 240.857 235.323 1.00 0.00 C +ATOM 75 CA PHE A 75 295.190 243.751 232.845 1.00 0.00 C +ATOM 76 CA GLY A 76 291.955 245.743 232.553 1.00 0.00 C +ATOM 77 CA SER A 77 289.063 246.868 234.762 1.00 0.00 C +ATOM 78 CA GLY A 78 290.416 248.822 237.740 1.00 0.00 C +ATOM 79 CA GLY A 79 289.445 249.036 241.418 1.00 0.00 C +ATOM 80 CA ASN A 80 287.887 249.957 244.770 1.00 0.00 C +ATOM 81 CA TYR A 81 284.234 248.993 245.263 1.00 0.00 C +ATOM 82 CA GLY A 82 281.969 248.927 242.200 1.00 0.00 C +ATOM 83 CA SER A 83 280.793 250.449 238.911 1.00 0.00 C +ATOM 84 CA SER A 84 277.034 251.025 239.132 1.00 0.00 C +ATOM 85 CA GLY A 85 275.084 251.484 242.373 1.00 0.00 C +ATOM 86 CA ASN A 86 272.941 253.746 244.566 1.00 0.00 C +ATOM 87 CA ASP A 87 274.681 256.997 245.523 1.00 0.00 C +ATOM 88 CA SER A 88 276.334 256.662 248.939 1.00 0.00 C +ATOM 89 CA PHE A 89 275.347 257.006 252.603 1.00 0.00 C +ATOM 90 CA GLY A 90 276.406 260.471 253.782 1.00 0.00 C +ATOM 91 CA SER A 91 280.111 260.753 254.625 1.00 0.00 C +ATOM 92 CA GLY A 92 280.668 258.090 257.292 1.00 0.00 C +ATOM 93 CA GLY A 93 279.182 259.163 260.633 1.00 0.00 C +ATOM 94 CA ASN A 94 276.021 261.188 261.283 1.00 0.00 C +ATOM 95 CA THR A 95 272.427 262.427 261.535 1.00 0.00 C +ATOM 96 CA TYR A 96 272.142 265.483 259.277 1.00 0.00 C +ATOM 97 CA GLY A 97 272.191 268.891 257.576 1.00 0.00 C +ATOM 98 CA SER A 98 268.645 269.450 256.301 1.00 0.00 C +ATOM 99 CA GLY A 99 266.233 267.438 258.458 1.00 0.00 C +ATOM 100 CA GLY A 100 266.009 269.059 261.899 1.00 0.00 C +ATOM 101 CA ASN A 101 264.891 270.114 265.385 1.00 0.00 C +ATOM 102 CA ASP A 102 265.704 271.830 268.688 1.00 0.00 C +ATOM 103 CA ASN A 103 264.623 273.877 271.714 1.00 0.00 C +ATOM 104 CA PHE A 104 261.085 275.027 272.536 1.00 0.00 C +ATOM 105 CA GLY A 105 258.468 275.602 275.245 1.00 0.00 C +ATOM 106 CA SER A 106 256.831 277.595 278.049 1.00 0.00 C +ATOM 107 CA GLY A 107 258.145 281.171 278.103 1.00 0.00 C +ATOM 108 CA GLY A 108 258.915 283.971 275.636 1.00 0.00 C +ATOM 109 CA ASN A 109 261.621 283.601 272.979 1.00 0.00 C +ATOM 110 CA ASP A 110 261.883 283.432 269.182 1.00 0.00 C +ATOM 111 CA THR A 111 261.679 283.604 265.381 1.00 0.00 C +ATOM 112 CA TYR A 112 259.085 284.482 262.732 1.00 0.00 C +ATOM 113 CA GLY A 113 258.836 281.532 260.333 1.00 0.00 C +ATOM 114 CA SER A 114 261.105 278.535 260.955 1.00 0.00 C +ATOM 115 CA SER A 115 262.249 276.445 263.928 1.00 0.00 C +ATOM 116 CA ARG A 116 260.761 277.738 267.189 1.00 0.00 C +ATOM 117 CA ASN A 117 257.158 276.502 267.237 1.00 0.00 C +ATOM 118 CA GLN A 118 254.510 279.229 267.502 1.00 0.00 C +ATOM 119 CA ASP A 119 253.009 282.535 268.655 1.00 0.00 C +ATOM 120 CA SER A 120 249.261 282.743 268.004 1.00 0.00 C +ATOM 121 CA SER A 121 246.371 283.871 265.792 1.00 0.00 C +ATOM 122 CA PHE A 122 243.144 285.627 266.799 1.00 0.00 C +ATOM 123 CA GLY A 123 240.413 283.003 267.217 1.00 0.00 C +ATOM 124 CA SER A 124 239.169 279.632 268.483 1.00 0.00 C +ATOM 125 CA SER A 125 237.497 277.566 271.213 1.00 0.00 C +ATOM 126 CA GLY A 126 235.009 278.835 273.805 1.00 0.00 C +ATOM 127 CA GLY A 127 232.927 280.572 276.481 1.00 0.00 C +ATOM 128 CA ARG A 128 232.352 279.326 280.035 1.00 0.00 C +ATOM 129 CA GLN A 129 228.946 278.056 281.174 1.00 0.00 C +ATOM 130 CA GLY A 130 225.967 276.573 283.030 1.00 0.00 C +ATOM 131 CA ASP A 131 223.730 274.844 285.584 1.00 0.00 C +ATOM 132 CA SER A 132 219.959 275.314 285.860 1.00 0.00 C +ATOM 133 CA SER A 133 217.795 273.879 283.072 1.00 0.00 C +ATOM 134 CA TYR A 134 217.516 270.113 283.579 1.00 0.00 C +ATOM 135 CA GLY A 135 215.232 268.974 286.407 1.00 0.00 C +ATOM 136 CA SER A 136 215.074 265.169 286.325 1.00 0.00 C +ATOM 137 CA SER A 137 214.958 262.646 283.472 1.00 0.00 C +ATOM 138 CA ASP A 138 212.385 263.926 280.970 1.00 0.00 C +ATOM 139 CA THR A 139 211.256 262.203 277.765 1.00 0.00 C +ATOM 140 CA TYR A 140 210.607 265.053 275.321 1.00 0.00 C +ATOM 141 CA GLY A 141 207.891 267.649 274.686 1.00 0.00 C +ATOM 142 CA GLN A 142 208.995 271.232 275.362 1.00 0.00 C +ATOM 143 CA SER A 143 210.500 273.815 277.724 1.00 0.00 C +ATOM 144 CA GLN A 144 210.797 277.543 276.994 1.00 0.00 C +ATOM 145 CA GLY A 145 212.047 279.835 274.219 1.00 0.00 C +ATOM 146 CA GLN A 146 212.294 282.755 271.784 1.00 0.00 C +ATOM 147 CA GLY A 147 214.335 283.744 268.723 1.00 0.00 C +ATOM 148 CA THR A 148 217.974 284.819 268.376 1.00 0.00 C +ATOM 149 CA GLU A 149 220.855 283.122 270.201 1.00 0.00 C +ATOM 150 CA SER A 150 222.516 280.033 271.689 1.00 0.00 C +ATOM 151 CA TYR A 151 224.508 277.673 269.458 1.00 0.00 C +ATOM 152 CA GLY A 152 224.711 277.176 265.686 1.00 0.00 C +ATOM 153 CA SER A 153 222.673 275.061 263.259 1.00 0.00 C +ATOM 154 CA SER A 154 222.880 275.973 259.565 1.00 0.00 C +ATOM 155 CA ASN A 155 224.813 278.155 257.112 1.00 0.00 C +ATOM 156 CA ARG A 156 225.370 278.580 253.367 1.00 0.00 C +ATOM 157 CA ASN A 157 224.561 275.250 251.702 1.00 0.00 C +ATOM 158 CA GLU A 158 225.635 272.734 249.050 1.00 0.00 C +ATOM 159 CA TYR A 159 226.054 274.087 245.513 1.00 0.00 C +ATOM 160 CA GLU A 160 224.283 277.305 244.500 1.00 0.00 C +ATOM 161 CA SER A 161 220.643 278.429 244.470 1.00 0.00 C +ATOM 162 CA SER A 162 220.060 281.631 246.450 1.00 0.00 C +ATOM 163 CA GLY A 163 217.517 284.285 245.446 1.00 0.00 C +ATOM 164 CA GLN A 164 216.595 287.982 245.422 1.00 0.00 C +ATOM 165 CA ARG A 165 214.341 291.052 245.366 1.00 0.00 C +ATOM 166 CA SER A 166 211.459 291.979 243.053 1.00 0.00 C +ATOM 167 CA LYS A 167 208.228 291.233 241.175 1.00 0.00 C +ATOM 168 CA GLY A 168 204.645 290.251 242.017 1.00 0.00 C +ATOM 169 CA GLU A 169 203.226 287.738 244.504 1.00 0.00 C +ATOM 170 CA GLY A 170 199.532 287.208 245.272 1.00 0.00 C +ATOM 171 CA LEU A 171 196.090 285.735 244.565 1.00 0.00 C +ATOM 172 CA PHE A 172 192.698 285.829 246.297 1.00 0.00 C +ATOM 173 CA GLU A 173 191.275 284.939 249.718 1.00 0.00 C +ATOM 174 CA LYS A 174 191.749 282.799 252.834 1.00 0.00 C +ATOM 175 CA VAL A 175 193.842 279.629 252.544 1.00 0.00 C +ATOM 176 CA LYS A 176 192.995 275.922 252.304 1.00 0.00 C +ATOM 177 CA ASP A 177 194.507 272.434 252.051 1.00 0.00 C +ATOM 178 CA LYS A 178 198.113 271.769 251.014 1.00 0.00 C +ATOM 179 CA VAL A 179 201.784 272.527 251.692 1.00 0.00 C +ATOM 180 CA THR A 180 204.330 275.185 252.678 1.00 0.00 C +ATOM 181 CA HIS A 181 205.186 275.860 256.329 1.00 0.00 C +ATOM 182 CA MET A 182 205.546 279.412 257.659 1.00 0.00 C +ATOM 183 CA GLY A 183 203.563 282.559 256.834 1.00 0.00 C +ATOM 184 CA SER A 184 203.375 286.333 257.320 1.00 0.00 C +ATOM 185 CA ARG A 185 202.708 288.403 260.448 1.00 0.00 C +ATOM 186 CA GLY A 186 203.136 291.900 261.900 1.00 0.00 C +ATOM 187 CA GLY A 187 200.569 294.702 261.631 1.00 0.00 C +ATOM 188 CA ASN A 188 197.782 293.312 259.437 1.00 0.00 C +ATOM 189 CA SER A 189 198.654 292.485 255.822 1.00 0.00 C +ATOM 190 CA GLY A 190 196.737 289.468 254.505 1.00 0.00 C +ATOM 191 CA GLY A 191 193.426 290.933 253.319 1.00 0.00 C +ATOM 192 CA ASP A 192 190.314 292.889 252.316 1.00 0.00 C +ATOM 193 CA ASN A 193 190.214 294.399 248.820 1.00 0.00 C +ATOM 194 CA TYR A 194 188.382 297.740 248.842 1.00 0.00 C +TER 195 TYR A 194 +END diff --git a/Fungi/A0A9P4YCB6/A0A9P4YCB6.dcd b/Fungi/A0A9P4YCB6/A0A9P4YCB6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..42da3e6f7d1d44cb7fbdc54915e798703c719f56 --- /dev/null +++ b/Fungi/A0A9P4YCB6/A0A9P4YCB6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:17245ae966625ad15afeff1b9cffd6092821b7228749b063a3a345551f90925d +size 7520276 diff --git a/Fungi/A0A9P4YCB6/top.pdb b/Fungi/A0A9P4YCB6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e7ceeb702164fb82ba41a0e3a9872c9e6aa26fbe --- /dev/null +++ b/Fungi/A0A9P4YCB6/top.pdb @@ -0,0 +1,60 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 260.327 258.697 267.134 1.00 0.00 C +ATOM 2 CA ALA A 2 261.892 255.310 266.363 1.00 0.00 C +ATOM 3 CA GLY A 3 259.046 252.955 265.429 1.00 0.00 C +ATOM 4 CA THR A 4 259.507 251.670 261.872 1.00 0.00 C +ATOM 5 CA HIS A 5 261.645 249.738 259.379 1.00 0.00 C +ATOM 6 CA ALA A 6 265.406 250.286 259.647 1.00 0.00 C +ATOM 7 CA ILE A 7 267.759 253.128 258.696 1.00 0.00 C +ATOM 8 CA GLY A 8 266.874 256.780 259.326 1.00 0.00 C +ATOM 9 CA HIS A 9 267.276 259.332 262.126 1.00 0.00 C +ATOM 10 CA GLN A 10 268.698 262.864 262.273 1.00 0.00 C +ATOM 11 CA THR A 11 271.909 263.974 260.549 1.00 0.00 C +ATOM 12 CA GLY A 12 272.690 262.551 257.102 1.00 0.00 C +ATOM 13 CA LEU A 13 272.511 258.787 256.541 1.00 0.00 C +ATOM 14 CA ASN A 14 274.045 256.439 253.962 1.00 0.00 C +ATOM 15 CA HIS A 15 276.004 257.796 250.990 1.00 0.00 C +ATOM 16 CA VAL A 16 277.465 254.872 249.031 1.00 0.00 C +ATOM 17 CA CYS A 17 278.331 251.485 247.517 1.00 0.00 C +ATOM 18 CA SER A 18 276.311 251.355 244.289 1.00 0.00 C +ATOM 19 CA ALA A 19 274.190 251.616 241.135 1.00 0.00 C +ATOM 20 CA PRO A 20 270.779 249.919 241.177 1.00 0.00 C +ATOM 21 CA ALA A 21 267.338 250.702 239.740 1.00 0.00 C +ATOM 22 CA ARG A 22 263.905 249.748 241.088 1.00 0.00 C +ATOM 23 CA GLU A 23 260.833 248.387 239.291 1.00 0.00 C +ATOM 24 CA LYS A 24 259.380 245.231 240.855 1.00 0.00 C +ATOM 25 CA GLU A 25 256.789 243.721 243.205 1.00 0.00 C +ATOM 26 CA ASP A 26 253.141 242.731 243.682 1.00 0.00 C +ATOM 27 CA GLY A 27 250.070 240.489 243.920 1.00 0.00 C +ATOM 28 CA ASN A 28 246.625 240.396 242.296 1.00 0.00 C +ATOM 29 CA GLU A 29 243.866 241.246 244.783 1.00 0.00 C +ATOM 30 CA LEU A 30 243.615 242.038 248.501 1.00 0.00 C +ATOM 31 CA LEU A 31 242.807 242.186 252.222 1.00 0.00 C +ATOM 32 CA SER A 32 244.510 245.084 254.016 1.00 0.00 C +ATOM 33 CA ALA A 33 245.654 247.833 251.639 1.00 0.00 C +ATOM 34 CA LYS A 34 245.921 249.408 248.180 1.00 0.00 C +ATOM 35 CA PHE A 35 245.183 247.978 244.727 1.00 0.00 C +ATOM 36 CA SER A 36 242.508 249.308 242.362 1.00 0.00 C +ATOM 37 CA ARG A 37 244.088 250.652 239.166 1.00 0.00 C +ATOM 38 CA GLY A 38 246.053 253.916 239.200 1.00 0.00 C +ATOM 39 CA LYS A 39 247.396 255.714 242.278 1.00 0.00 C +ATOM 40 CA ARG A 40 245.145 255.596 245.349 1.00 0.00 C +ATOM 41 CA GLY A 41 241.878 255.826 247.296 1.00 0.00 C +ATOM 42 CA GLU A 42 240.784 253.591 250.182 1.00 0.00 C +ATOM 43 CA GLN A 43 238.896 250.408 249.275 1.00 0.00 C +ATOM 44 CA ARG A 44 235.580 248.726 250.105 1.00 0.00 C +ATOM 45 CA LYS A 45 235.589 245.042 251.079 1.00 0.00 C +ATOM 46 CA GLY A 46 232.830 244.102 253.533 1.00 0.00 C +ATOM 47 CA TYR A 47 230.314 246.472 255.136 1.00 0.00 C +ATOM 48 CA TRP A 48 227.157 247.974 253.621 1.00 0.00 C +ATOM 49 CA HIS A 49 223.621 249.391 253.550 1.00 0.00 C +ATOM 50 CA HIS A 50 220.920 246.820 252.769 1.00 0.00 C +ATOM 51 CA TRP A 51 217.526 245.787 251.381 1.00 0.00 C +ATOM 52 CA GLU A 52 214.889 243.140 250.633 1.00 0.00 C +ATOM 53 CA SER A 53 214.052 241.246 247.435 1.00 0.00 C +ATOM 54 CA ILE A 54 214.666 242.014 243.754 1.00 0.00 C +ATOM 55 CA SER A 55 216.753 242.135 240.568 1.00 0.00 C +ATOM 56 CA LYS A 56 217.051 245.411 238.645 1.00 0.00 C +TER 57 LYS A 56 +END diff --git a/Fungi/A0A9P5BZN5/A0A9P5BZN5.dcd b/Fungi/A0A9P5BZN5/A0A9P5BZN5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..cdf470e0fd897d304b4ce90208647a7633074df9 --- /dev/null +++ b/Fungi/A0A9P5BZN5/A0A9P5BZN5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dcee87a79317ad51fcdc7c67671cf510d9785d50a7dca7f455d612a0d65b533b +size 20480276 diff --git a/Fungi/A0A9P5BZN5/top.pdb b/Fungi/A0A9P5BZN5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..6028f1303dc5f56f231cd52763b488d3e27acbdd --- /dev/null +++ b/Fungi/A0A9P5BZN5/top.pdb @@ -0,0 +1,168 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 230.181 172.070 267.379 1.00 0.00 C +ATOM 2 CA TYR A 2 230.680 175.719 268.356 1.00 0.00 C +ATOM 3 CA GLY A 3 233.876 177.474 269.463 1.00 0.00 C +ATOM 4 CA ARG A 4 236.610 180.069 270.013 1.00 0.00 C +ATOM 5 CA GLY A 5 235.251 183.434 271.171 1.00 0.00 C +ATOM 6 CA GLY A 6 234.964 185.906 274.056 1.00 0.00 C +ATOM 7 CA ALA A 7 232.292 187.984 275.805 1.00 0.00 C +ATOM 8 CA GLY A 8 228.601 187.128 275.403 1.00 0.00 C +ATOM 9 CA ASN A 9 227.363 186.849 271.811 1.00 0.00 C +ATOM 10 CA ILE A 10 224.297 188.993 271.088 1.00 0.00 C +ATOM 11 CA ALA A 11 222.248 191.934 269.798 1.00 0.00 C +ATOM 12 CA GLN A 12 222.693 195.711 269.570 1.00 0.00 C +ATOM 13 CA ALA A 13 224.144 197.164 272.780 1.00 0.00 C +ATOM 14 CA ALA A 14 227.809 198.189 272.594 1.00 0.00 C +ATOM 15 CA ALA A 15 230.673 196.570 274.514 1.00 0.00 C +ATOM 16 CA SER A 16 234.275 197.712 275.000 1.00 0.00 C +ATOM 17 CA SER A 17 237.978 198.534 274.634 1.00 0.00 C +ATOM 18 CA LYS A 18 241.426 197.116 273.851 1.00 0.00 C +ATOM 19 CA LYS A 19 244.677 196.259 275.644 1.00 0.00 C +ATOM 20 CA ALA A 20 247.163 194.193 277.660 1.00 0.00 C +ATOM 21 CA ALA A 21 248.864 191.043 276.354 1.00 0.00 C +ATOM 22 CA GLU A 22 252.187 189.259 275.819 1.00 0.00 C +ATOM 23 CA ASP A 23 254.439 191.768 274.045 1.00 0.00 C +ATOM 24 CA ILE A 24 256.160 194.842 272.595 1.00 0.00 C +ATOM 25 CA GLU A 25 258.994 196.566 274.469 1.00 0.00 C +ATOM 26 CA ALA A 26 260.855 199.027 276.704 1.00 0.00 C +ATOM 27 CA ALA A 27 262.335 198.348 280.149 1.00 0.00 C +ATOM 28 CA ASN A 28 265.530 196.281 280.339 1.00 0.00 C +ATOM 29 CA PRO A 29 268.674 197.619 278.654 1.00 0.00 C +ATOM 30 CA PRO A 30 268.985 201.002 276.929 1.00 0.00 C +ATOM 31 CA ALA A 31 270.761 201.292 273.571 1.00 0.00 C +ATOM 32 CA THR A 32 269.941 204.587 271.841 1.00 0.00 C +ATOM 33 CA THR A 33 268.299 207.515 270.039 1.00 0.00 C +ATOM 34 CA PRO A 34 268.057 210.759 272.023 1.00 0.00 C +ATOM 35 CA SER A 35 264.855 212.778 272.453 1.00 0.00 C +ATOM 36 CA ALA A 36 265.272 215.548 275.036 1.00 0.00 C +ATOM 37 CA PRO A 37 267.243 218.182 276.958 1.00 0.00 C +ATOM 38 CA SER A 38 269.558 220.876 275.579 1.00 0.00 C +ATOM 39 CA GLN A 39 273.051 221.609 274.244 1.00 0.00 C +ATOM 40 CA THR A 40 273.253 223.522 270.956 1.00 0.00 C +ATOM 41 CA SER A 41 272.048 225.428 267.885 1.00 0.00 C +ATOM 42 CA SER A 42 270.176 228.572 268.945 1.00 0.00 C +ATOM 43 CA THR A 43 269.447 231.475 271.303 1.00 0.00 C +ATOM 44 CA ALA A 44 268.026 234.977 270.825 1.00 0.00 C +ATOM 45 CA SER A 45 266.517 237.381 268.284 1.00 0.00 C +ATOM 46 CA GLN A 46 266.083 241.164 268.408 1.00 0.00 C +ATOM 47 CA ASP A 47 268.683 243.253 270.249 1.00 0.00 C +ATOM 48 CA TYR A 48 271.460 241.194 271.851 1.00 0.00 C +ATOM 49 CA ALA A 49 272.590 242.771 275.130 1.00 0.00 C +ATOM 50 CA HIS A 50 273.333 243.865 278.703 1.00 0.00 C +ATOM 51 CA MET A 51 271.079 246.167 280.738 1.00 0.00 C +ATOM 52 CA GLY A 52 271.287 245.111 284.393 1.00 0.00 C +ATOM 53 CA ARG A 53 273.510 247.619 286.205 1.00 0.00 C +ATOM 54 CA GLY A 54 276.281 249.969 285.059 1.00 0.00 C +ATOM 55 CA GLY A 55 278.075 252.103 287.656 1.00 0.00 C +ATOM 56 CA ALA A 56 280.119 254.653 285.698 1.00 0.00 C +ATOM 57 CA GLY A 57 283.602 256.180 285.469 1.00 0.00 C +ATOM 58 CA ASN A 58 285.967 259.004 284.495 1.00 0.00 C +ATOM 59 CA TRP A 59 285.028 261.342 281.637 1.00 0.00 C +ATOM 60 CA PHE A 60 287.555 262.803 279.188 1.00 0.00 C +ATOM 61 CA GLN A 61 288.856 263.004 275.613 1.00 0.00 C +ATOM 62 CA PRO A 62 288.844 261.813 271.994 1.00 0.00 C +ATOM 63 CA LYS A 63 287.254 259.697 269.252 1.00 0.00 C +ATOM 64 CA ALA A 64 290.117 257.576 267.902 1.00 0.00 C +ATOM 65 CA LEU A 65 293.586 256.700 266.594 1.00 0.00 C +ATOM 66 CA GLN A 66 295.215 254.147 264.282 1.00 0.00 C +ATOM 67 CA ALA A 67 295.233 250.342 264.091 1.00 0.00 C +ATOM 68 CA GLU A 68 291.877 248.582 264.485 1.00 0.00 C +ATOM 69 CA GLY A 69 288.388 247.081 264.781 1.00 0.00 C +ATOM 70 CA THR A 70 286.823 246.082 268.108 1.00 0.00 C +ATOM 71 CA PHE A 71 285.117 245.308 271.426 1.00 0.00 C +ATOM 72 CA SER A 72 283.994 242.126 273.195 1.00 0.00 C +ATOM 73 CA GLN A 73 280.537 241.545 274.689 1.00 0.00 C +ATOM 74 CA GLN A 74 279.533 240.363 278.169 1.00 0.00 C +ATOM 75 CA THR A 75 277.212 238.314 280.390 1.00 0.00 C +ATOM 76 CA SER A 76 276.605 236.084 283.418 1.00 0.00 C +ATOM 77 CA ALA A 77 276.069 237.782 286.786 1.00 0.00 C +ATOM 78 CA GLU A 78 276.573 241.494 286.086 1.00 0.00 C +ATOM 79 CA ALA A 79 279.382 243.739 284.828 1.00 0.00 C +ATOM 80 CA THR A 80 281.559 246.236 282.946 1.00 0.00 C +ATOM 81 CA ALA A 81 279.304 247.528 280.160 1.00 0.00 C +ATOM 82 CA PRO A 82 276.789 249.522 278.107 1.00 0.00 C +ATOM 83 CA PRO A 83 275.360 248.821 274.646 1.00 0.00 C +ATOM 84 CA THR A 84 272.854 251.386 273.358 1.00 0.00 C +ATOM 85 CA ASN A 85 271.885 253.739 276.194 1.00 0.00 C +ATOM 86 CA ALA A 86 269.560 256.265 277.845 1.00 0.00 C +ATOM 87 CA SER A 87 266.869 257.257 275.337 1.00 0.00 C +ATOM 88 CA PRO A 88 266.193 259.571 272.387 1.00 0.00 C +ATOM 89 CA ASN A 89 264.789 262.640 270.619 1.00 0.00 C +ATOM 90 CA VAL A 90 266.022 265.373 268.268 1.00 0.00 C +ATOM 91 CA SER A 91 263.572 268.282 268.487 1.00 0.00 C +ATOM 92 CA LYS A 92 260.965 269.139 265.844 1.00 0.00 C +ATOM 93 CA PRO A 93 259.220 270.382 262.693 1.00 0.00 C +ATOM 94 CA TRP A 94 256.499 268.698 260.624 1.00 0.00 C +ATOM 95 CA THR A 95 257.073 269.976 257.081 1.00 0.00 C +ATOM 96 CA PRO A 96 260.215 269.455 254.991 1.00 0.00 C +ATOM 97 CA GLU A 97 261.617 270.784 251.707 1.00 0.00 C +ATOM 98 CA GLY A 98 258.808 272.209 249.564 1.00 0.00 C +ATOM 99 CA GLN A 99 256.288 270.895 247.026 1.00 0.00 C +ATOM 100 CA GLU A 100 252.976 269.640 245.621 1.00 0.00 C +ATOM 101 CA LEU A 101 251.529 267.129 243.148 1.00 0.00 C +ATOM 102 CA PRO A 102 247.807 266.640 243.800 1.00 0.00 C +ATOM 103 CA VAL A 103 244.493 265.018 244.749 1.00 0.00 C +ATOM 104 CA ALA A 104 240.898 264.779 245.988 1.00 0.00 C +ATOM 105 CA ARG A 105 240.306 266.422 249.374 1.00 0.00 C +ATOM 106 CA GLN A 106 241.185 269.785 250.935 1.00 0.00 C +ATOM 107 CA GLY A 107 238.581 272.407 251.862 1.00 0.00 C +ATOM 108 CA ARG A 108 235.901 275.107 251.652 1.00 0.00 C +ATOM 109 CA GLY A 109 234.595 276.903 248.556 1.00 0.00 C +ATOM 110 CA GLY A 110 232.277 275.878 245.711 1.00 0.00 C +ATOM 111 CA ALA A 111 231.487 276.543 242.044 1.00 0.00 C +ATOM 112 CA GLY A 112 231.270 277.238 238.304 1.00 0.00 C +ATOM 113 CA ASN A 113 229.196 274.900 236.125 1.00 0.00 C +ATOM 114 CA MET A 114 227.122 271.704 236.102 1.00 0.00 C +ATOM 115 CA VAL A 115 223.396 270.933 236.286 1.00 0.00 C +ATOM 116 CA TRP A 116 220.780 270.345 233.579 1.00 0.00 C +ATOM 117 CA LYS A 117 219.600 269.136 230.164 1.00 0.00 C +ATOM 118 CA SER A 118 221.942 268.348 227.264 1.00 0.00 C +ATOM 119 CA GLU A 119 221.719 268.451 223.462 1.00 0.00 C +ATOM 120 CA GLU A 120 223.404 269.282 220.147 1.00 0.00 C +ATOM 121 CA MET A 121 225.127 271.388 217.480 1.00 0.00 C +ATOM 122 CA TRP A 122 223.481 270.637 214.127 1.00 0.00 C +ATOM 123 CA ARG A 123 224.547 267.880 211.723 1.00 0.00 C +ATOM 124 CA ARG A 124 221.848 265.191 211.710 1.00 0.00 C +ATOM 125 CA GLU A 125 220.740 261.747 212.906 1.00 0.00 C +ATOM 126 CA LYS A 126 223.089 259.901 215.270 1.00 0.00 C +ATOM 127 CA GLU A 127 224.105 257.767 218.259 1.00 0.00 C +ATOM 128 CA ASP A 128 227.730 256.659 217.877 1.00 0.00 C +ATOM 129 CA GLU A 129 230.593 258.923 216.786 1.00 0.00 C +ATOM 130 CA ARG A 130 230.810 261.653 214.137 1.00 0.00 C +ATOM 131 CA ARG A 131 232.463 264.790 215.533 1.00 0.00 C +ATOM 132 CA LYS A 132 232.310 268.596 215.482 1.00 0.00 C +ATOM 133 CA LYS A 133 232.257 271.161 212.665 1.00 0.00 C +ATOM 134 CA GLU A 134 230.300 274.021 211.082 1.00 0.00 C +ATOM 135 CA GLU A 135 230.224 277.818 211.385 1.00 0.00 C +ATOM 136 CA ILE A 136 231.173 281.332 210.259 1.00 0.00 C +ATOM 137 CA GLU A 137 232.570 284.877 210.219 1.00 0.00 C +ATOM 138 CA ARG A 138 230.782 286.822 212.964 1.00 0.00 C +ATOM 139 CA SER A 139 229.120 290.246 213.129 1.00 0.00 C +ATOM 140 CA ALA A 140 227.483 293.672 212.808 1.00 0.00 C +ATOM 141 CA GLU A 141 223.795 294.573 212.493 1.00 0.00 C +ATOM 142 CA GLU A 142 220.100 293.731 212.093 1.00 0.00 C +ATOM 143 CA ALA A 143 217.556 296.323 210.943 1.00 0.00 C +ATOM 144 CA ALA A 144 217.852 299.363 208.666 1.00 0.00 C +ATOM 145 CA GLY A 145 219.122 302.397 206.742 1.00 0.00 C +ATOM 146 CA GLY A 146 221.044 304.656 204.351 1.00 0.00 C +ATOM 147 CA LEU A 147 218.647 307.315 203.047 1.00 0.00 C +ATOM 148 CA GLN A 148 217.540 308.451 199.583 1.00 0.00 C +ATOM 149 CA SER A 149 215.726 309.336 196.351 1.00 0.00 C +ATOM 150 CA PRO A 150 215.873 307.228 193.181 1.00 0.00 C +ATOM 151 CA GLY A 151 215.557 308.545 189.619 1.00 0.00 C +ATOM 152 CA LYS A 152 218.769 308.907 187.603 1.00 0.00 C +ATOM 153 CA ALA A 153 220.123 305.380 187.105 1.00 0.00 C +ATOM 154 CA VAL A 154 219.452 302.122 185.248 1.00 0.00 C +ATOM 155 CA PHE A 155 220.060 299.269 187.699 1.00 0.00 C +ATOM 156 CA SER A 156 222.779 296.651 187.186 1.00 0.00 C +ATOM 157 CA ALA A 157 223.207 293.634 189.474 1.00 0.00 C +ATOM 158 CA GLN A 158 225.955 291.275 188.290 1.00 0.00 C +ATOM 159 CA LYS A 159 228.238 290.593 185.317 1.00 0.00 C +ATOM 160 CA GLY A 160 229.189 289.343 181.846 1.00 0.00 C +ATOM 161 CA GLY A 161 232.756 290.536 181.231 1.00 0.00 C +ATOM 162 CA ARG A 162 235.904 288.400 181.445 1.00 0.00 C +ATOM 163 CA GLY A 163 237.351 286.590 178.421 1.00 0.00 C +ATOM 164 CA TRP A 164 240.156 287.311 175.946 1.00 0.00 C +TER 165 TRP A 164 +END diff --git a/Fungi/A0A9P5F2C1/A0A9P5F2C1.dcd b/Fungi/A0A9P5F2C1/A0A9P5F2C1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..ceec094a7cef168e03fb5cc4a1b41fd886525a12 --- /dev/null +++ b/Fungi/A0A9P5F2C1/A0A9P5F2C1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:63ef4e087b0e393c1fa5c565fa56d00179dc2525f91b9e23a8fd3121f2efdf6a +size 9560276 diff --git a/Fungi/A0A9P5F2C1/top.pdb b/Fungi/A0A9P5F2C1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f4adee3b861b2616f83a825e90ce4eaa2d94b6d4 --- /dev/null +++ b/Fungi/A0A9P5F2C1/top.pdb @@ -0,0 +1,77 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 259.941 244.373 237.047 1.00 0.00 C +ATOM 2 CA SER A 2 261.679 247.242 238.855 1.00 0.00 C +ATOM 3 CA SER A 3 260.671 250.753 239.935 1.00 0.00 C +ATOM 4 CA GLN A 4 259.243 254.210 240.660 1.00 0.00 C +ATOM 5 CA THR A 5 257.176 257.359 241.233 1.00 0.00 C +ATOM 6 CA SER A 6 256.717 261.031 242.142 1.00 0.00 C +ATOM 7 CA SER A 7 258.553 263.025 244.819 1.00 0.00 C +ATOM 8 CA MET A 8 261.986 262.097 246.187 1.00 0.00 C +ATOM 9 CA VAL A 9 265.124 260.462 247.601 1.00 0.00 C +ATOM 10 CA VAL A 10 266.470 260.247 251.158 1.00 0.00 C +ATOM 11 CA GLU A 11 265.326 257.245 253.206 1.00 0.00 C +ATOM 12 CA SER A 12 266.650 254.226 255.116 1.00 0.00 C +ATOM 13 CA GLY A 13 265.143 251.628 257.461 1.00 0.00 C +ATOM 14 CA SER A 14 264.927 251.593 261.265 1.00 0.00 C +ATOM 15 CA GLN A 15 261.682 250.615 263.005 1.00 0.00 C +ATOM 16 CA THR A 16 260.736 251.384 266.615 1.00 0.00 C +ATOM 17 CA GLY A 17 258.476 248.704 268.108 1.00 0.00 C +ATOM 18 CA ALA A 18 259.787 245.127 268.149 1.00 0.00 C +ATOM 19 CA ALA A 19 256.965 242.716 267.287 1.00 0.00 C +ATOM 20 CA PHE A 20 253.417 241.927 268.429 1.00 0.00 C +ATOM 21 CA GLY A 21 250.679 244.198 269.793 1.00 0.00 C +ATOM 22 CA GLN A 22 247.472 246.080 268.963 1.00 0.00 C +ATOM 23 CA SER A 23 244.648 248.048 267.328 1.00 0.00 C +ATOM 24 CA SER A 24 241.807 246.084 265.720 1.00 0.00 C +ATOM 25 CA ASN A 25 240.328 244.593 262.541 1.00 0.00 C +ATOM 26 CA ASN A 26 238.915 243.865 259.079 1.00 0.00 C +ATOM 27 CA GLN A 27 235.129 243.515 258.835 1.00 0.00 C +ATOM 28 CA ALA A 28 231.690 241.955 258.329 1.00 0.00 C +ATOM 29 CA ALA A 29 228.040 241.895 257.238 1.00 0.00 C +ATOM 30 CA SER A 30 227.625 240.745 253.629 1.00 0.00 C +ATOM 31 CA ASN A 31 230.551 240.802 251.190 1.00 0.00 C +ATOM 32 CA ASP A 32 233.913 241.151 249.433 1.00 0.00 C +ATOM 33 CA GLN A 33 234.469 243.411 246.416 1.00 0.00 C +ATOM 34 CA ALA A 34 236.898 245.667 244.539 1.00 0.00 C +ATOM 35 CA ALA A 35 240.142 246.697 242.826 1.00 0.00 C +ATOM 36 CA SER A 36 243.124 244.899 244.370 1.00 0.00 C +ATOM 37 CA ARG A 37 241.718 242.123 246.568 1.00 0.00 C +ATOM 38 CA GLN A 38 244.074 241.161 249.403 1.00 0.00 C +ATOM 39 CA ALA A 39 247.346 241.842 251.232 1.00 0.00 C +ATOM 40 CA ARG A 40 250.647 240.519 249.863 1.00 0.00 C +ATOM 41 CA PHE A 41 252.374 243.374 248.025 1.00 0.00 C +ATOM 42 CA GLU A 42 253.835 246.430 246.280 1.00 0.00 C +ATOM 43 CA MET A 43 255.640 247.250 243.026 1.00 0.00 C +ATOM 44 CA PHE A 44 254.405 245.046 240.175 1.00 0.00 C +ATOM 45 CA MET A 45 251.800 243.357 237.965 1.00 0.00 C +ATOM 46 CA ASN A 46 248.212 243.085 236.714 1.00 0.00 C +ATOM 47 CA ASP A 47 244.869 244.459 235.506 1.00 0.00 C +ATOM 48 CA ASN A 48 241.380 245.901 234.995 1.00 0.00 C +ATOM 49 CA ASP A 49 241.531 249.675 235.492 1.00 0.00 C +ATOM 50 CA ASN A 50 243.083 252.291 233.198 1.00 0.00 C +ATOM 51 CA GLN A 51 240.661 255.025 232.112 1.00 0.00 C +ATOM 52 CA TYR A 52 238.000 257.146 233.826 1.00 0.00 C +ATOM 53 CA THR A 53 237.032 259.657 236.523 1.00 0.00 C +ATOM 54 CA ARG A 54 236.969 261.894 239.606 1.00 0.00 C +ATOM 55 CA LEU A 55 236.135 264.087 242.609 1.00 0.00 C +ATOM 56 CA GLU A 56 235.912 262.483 246.058 1.00 0.00 C +ATOM 57 CA SER A 57 238.797 262.033 248.505 1.00 0.00 C +ATOM 58 CA ASN A 58 242.369 261.194 247.479 1.00 0.00 C +ATOM 59 CA ARG A 59 245.995 261.570 248.587 1.00 0.00 C +ATOM 60 CA PRO A 60 246.819 265.115 249.713 1.00 0.00 C +ATOM 61 CA ALA A 61 250.607 265.528 249.678 1.00 0.00 C +ATOM 62 CA GLU A 62 253.219 263.138 251.086 1.00 0.00 C +ATOM 63 CA ASP A 63 256.571 261.340 250.879 1.00 0.00 C +ATOM 64 CA LYS A 64 256.787 259.365 254.130 1.00 0.00 C +ATOM 65 CA PRO A 65 257.516 256.436 256.455 1.00 0.00 C +ATOM 66 CA VAL A 66 257.151 252.743 255.591 1.00 0.00 C +ATOM 67 CA GLN A 67 255.626 249.459 254.405 1.00 0.00 C +ATOM 68 CA LYS A 68 256.909 245.971 253.566 1.00 0.00 C +ATOM 69 CA GLN A 69 257.796 242.417 254.613 1.00 0.00 C +ATOM 70 CA PRO A 70 261.418 241.241 254.489 1.00 0.00 C +ATOM 71 CA ARG A 71 262.612 239.959 251.105 1.00 0.00 C +ATOM 72 CA THR A 72 263.362 239.087 247.473 1.00 0.00 C +ATOM 73 CA GLN A 73 264.720 237.033 244.566 1.00 0.00 C +TER 74 GLN A 73 +END diff --git a/Fungi/A0A9P5GIB5/A0A9P5GIB5.dcd b/Fungi/A0A9P5GIB5/A0A9P5GIB5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..685842167b0c0f1c994ba3bf51b54f42c1d171f2 --- /dev/null +++ b/Fungi/A0A9P5GIB5/A0A9P5GIB5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6d93bb663cc2fd192d9a8e2217d1da81503eb3e95cba1b2a62b7caa0cf25e3e3 +size 6800276 diff --git a/Fungi/A0A9P5GIB5/top.pdb b/Fungi/A0A9P5GIB5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a2d1166c1f70d92e87a12b436d043bed073c0a13 --- /dev/null +++ b/Fungi/A0A9P5GIB5/top.pdb @@ -0,0 +1,54 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 257.565 257.951 249.858 1.00 0.00 C +ATOM 2 CA ALA A 2 256.992 259.510 246.429 1.00 0.00 C +ATOM 3 CA ARG A 3 254.310 259.090 243.757 1.00 0.00 C +ATOM 4 CA THR A 4 250.788 260.509 244.074 1.00 0.00 C +ATOM 5 CA TYR A 5 250.448 263.022 241.231 1.00 0.00 C +ATOM 6 CA PRO A 6 250.217 266.794 241.716 1.00 0.00 C +ATOM 7 CA THR A 7 249.597 269.960 243.743 1.00 0.00 C +ATOM 8 CA PRO A 8 246.891 272.632 243.522 1.00 0.00 C +ATOM 9 CA THR A 9 243.463 273.710 242.254 1.00 0.00 C +ATOM 10 CA ALA A 10 241.016 271.069 241.008 1.00 0.00 C +ATOM 11 CA THR A 11 238.772 268.847 243.139 1.00 0.00 C +ATOM 12 CA ILE A 12 240.680 267.971 246.318 1.00 0.00 C +ATOM 13 CA ILE A 13 242.857 265.844 248.611 1.00 0.00 C +ATOM 14 CA PRO A 14 241.117 263.163 250.685 1.00 0.00 C +ATOM 15 CA THR A 15 240.334 260.145 248.496 1.00 0.00 C +ATOM 16 CA ASN A 16 237.696 259.534 245.815 1.00 0.00 C +ATOM 17 CA GLY A 17 236.476 262.685 244.054 1.00 0.00 C +ATOM 18 CA SER A 18 234.874 262.786 240.599 1.00 0.00 C +ATOM 19 CA ARG A 19 232.132 260.151 240.376 1.00 0.00 C +ATOM 20 CA HIS A 20 232.353 257.583 243.181 1.00 0.00 C +ATOM 21 CA TYR A 21 232.955 254.494 245.329 1.00 0.00 C +ATOM 22 CA ASN A 22 234.216 251.077 246.446 1.00 0.00 C +ATOM 23 CA SER A 23 237.076 251.710 248.882 1.00 0.00 C +ATOM 24 CA GLY A 24 236.342 253.527 252.150 1.00 0.00 C +ATOM 25 CA ASN A 25 237.440 253.473 255.798 1.00 0.00 C +ATOM 26 CA GLY A 26 240.948 252.867 257.154 1.00 0.00 C +ATOM 27 CA ASP A 27 241.170 249.872 259.499 1.00 0.00 C +ATOM 28 CA ALA A 28 242.865 246.639 258.406 1.00 0.00 C +ATOM 29 CA VAL A 29 241.449 245.944 254.938 1.00 0.00 C +ATOM 30 CA TYR A 30 240.185 247.034 251.513 1.00 0.00 C +ATOM 31 CA THR A 31 242.909 248.908 249.620 1.00 0.00 C +ATOM 32 CA LEU A 32 245.739 246.381 249.276 1.00 0.00 C +ATOM 33 CA PRO A 33 249.457 246.799 248.555 1.00 0.00 C +ATOM 34 CA PRO A 34 251.498 245.074 251.270 1.00 0.00 C +ATOM 35 CA ALA A 35 251.189 242.958 254.424 1.00 0.00 C +ATOM 36 CA PRO A 36 254.034 240.424 254.420 1.00 0.00 C +ATOM 37 CA ALA A 37 256.779 237.789 254.614 1.00 0.00 C +ATOM 38 CA GLU A 38 256.212 235.538 251.592 1.00 0.00 C +ATOM 39 CA ARG A 39 254.612 232.183 252.430 1.00 0.00 C +ATOM 40 CA TYR A 40 257.090 229.413 253.266 1.00 0.00 C +ATOM 41 CA GLN A 41 260.069 227.350 254.442 1.00 0.00 C +ATOM 42 CA GLU A 42 262.330 227.514 257.505 1.00 0.00 C +ATOM 43 CA SER A 43 264.827 230.373 257.183 1.00 0.00 C +ATOM 44 CA ASP A 44 268.406 229.201 256.606 1.00 0.00 C +ATOM 45 CA ASN A 45 271.923 229.565 255.186 1.00 0.00 C +ATOM 46 CA TYR A 46 274.734 228.111 257.306 1.00 0.00 C +ATOM 47 CA ALA A 47 277.115 230.067 259.547 1.00 0.00 C +ATOM 48 CA SER A 48 278.723 232.763 257.388 1.00 0.00 C +ATOM 49 CA VAL A 49 277.994 234.231 253.948 1.00 0.00 C +ATOM 50 CA TYR A 50 281.136 235.769 252.438 1.00 0.00 C +TER 51 TYR A 50 +END diff --git a/Fungi/A0A9P5GMR7/A0A9P5GMR7.dcd b/Fungi/A0A9P5GMR7/A0A9P5GMR7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..82076368be3f4ad322b89365c4d9b541d90b396d --- /dev/null +++ b/Fungi/A0A9P5GMR7/A0A9P5GMR7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:85ea68efcb16372459220f9d706644b8c2ba7a0b2c6480d2a70188dba6cd410d +size 16640276 diff --git a/Fungi/A0A9P5GMR7/top.pdb b/Fungi/A0A9P5GMR7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..061a8d7da9a7078df4b27d452db371d2f7270d8e --- /dev/null +++ b/Fungi/A0A9P5GMR7/top.pdb @@ -0,0 +1,136 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 245.192 260.231 286.451 1.00 0.00 C +ATOM 2 CA SER A 2 246.054 256.540 286.058 1.00 0.00 C +ATOM 3 CA ASP A 3 249.772 255.801 286.439 1.00 0.00 C +ATOM 4 CA ASP A 4 251.286 256.545 283.023 1.00 0.00 C +ATOM 5 CA ASN A 5 254.551 254.920 281.920 1.00 0.00 C +ATOM 6 CA THR A 6 258.258 255.741 282.236 1.00 0.00 C +ATOM 7 CA ARG A 7 261.745 254.904 280.949 1.00 0.00 C +ATOM 8 CA ARG A 8 264.013 252.285 279.364 1.00 0.00 C +ATOM 9 CA HIS A 9 264.364 248.502 279.077 1.00 0.00 C +ATOM 10 CA TRP A 10 263.925 245.571 276.683 1.00 0.00 C +ATOM 11 CA HIS A 11 264.585 241.909 275.862 1.00 0.00 C +ATOM 12 CA GLY A 12 267.367 241.132 273.378 1.00 0.00 C +ATOM 13 CA ILE A 13 269.281 238.107 272.073 1.00 0.00 C +ATOM 14 CA PRO A 14 267.219 234.934 271.631 1.00 0.00 C +ATOM 15 CA GLY A 15 263.769 233.400 271.125 1.00 0.00 C +ATOM 16 CA ASP A 16 260.078 234.263 271.514 1.00 0.00 C +ATOM 17 CA ARG A 17 257.291 236.783 272.143 1.00 0.00 C +ATOM 18 CA HIS A 18 254.549 238.729 270.352 1.00 0.00 C +ATOM 19 CA GLN A 19 251.745 236.409 269.222 1.00 0.00 C +ATOM 20 CA HIS A 20 249.857 235.079 266.192 1.00 0.00 C +ATOM 21 CA ILE A 21 246.446 236.054 264.805 1.00 0.00 C +ATOM 22 CA ASN A 22 246.236 236.085 261.001 1.00 0.00 C +ATOM 23 CA VAL A 23 246.378 238.952 258.495 1.00 0.00 C +ATOM 24 CA TRP A 24 246.759 242.741 258.387 1.00 0.00 C +ATOM 25 CA MET A 25 248.302 244.038 261.620 1.00 0.00 C +ATOM 26 CA ASN A 26 248.826 247.795 261.971 1.00 0.00 C +ATOM 27 CA GLY A 27 246.646 249.840 264.334 1.00 0.00 C +ATOM 28 CA GLY A 28 247.448 249.550 268.047 1.00 0.00 C +ATOM 29 CA ALA A 29 247.304 252.143 270.835 1.00 0.00 C +ATOM 30 CA LYS A 30 249.588 255.184 270.613 1.00 0.00 C +ATOM 31 CA SER A 31 253.182 255.466 269.379 1.00 0.00 C +ATOM 32 CA PRO A 32 255.808 253.537 271.354 1.00 0.00 C +ATOM 33 CA SER A 33 257.679 255.329 274.148 1.00 0.00 C +ATOM 34 CA GLY A 34 261.424 254.631 274.145 1.00 0.00 C +ATOM 35 CA ARG A 35 263.965 253.415 271.580 1.00 0.00 C +ATOM 36 CA ALA A 36 267.002 252.868 269.345 1.00 0.00 C +ATOM 37 CA ALA A 37 267.372 249.684 267.284 1.00 0.00 C +ATOM 38 CA TRP A 38 269.059 248.016 264.303 1.00 0.00 C +ATOM 39 CA ALA A 39 266.708 245.939 262.140 1.00 0.00 C +ATOM 40 CA MET A 40 265.722 246.606 258.521 1.00 0.00 C +ATOM 41 CA PRO A 41 265.797 243.973 255.768 1.00 0.00 C +ATOM 42 CA THR A 42 267.210 243.447 252.269 1.00 0.00 C +ATOM 43 CA THR A 43 265.370 242.474 249.078 1.00 0.00 C +ATOM 44 CA ASP A 44 261.569 242.737 249.156 1.00 0.00 C +ATOM 45 CA THR A 45 260.379 242.301 252.748 1.00 0.00 C +ATOM 46 CA ARG A 46 257.251 242.447 254.919 1.00 0.00 C +ATOM 47 CA ARG A 47 253.666 242.011 253.705 1.00 0.00 C +ATOM 48 CA ASP A 48 251.055 242.480 250.971 1.00 0.00 C +ATOM 49 CA SER A 49 248.624 244.173 248.575 1.00 0.00 C +ATOM 50 CA ASN A 50 248.889 245.342 244.958 1.00 0.00 C +ATOM 51 CA THR A 51 249.791 247.746 242.143 1.00 0.00 C +ATOM 52 CA SER A 52 252.930 249.101 240.462 1.00 0.00 C +ATOM 53 CA THR A 53 256.313 248.997 238.712 1.00 0.00 C +ATOM 54 CA SER A 54 256.531 251.990 236.364 1.00 0.00 C +ATOM 55 CA SER A 55 257.068 255.231 238.294 1.00 0.00 C +ATOM 56 CA ASP A 56 256.216 256.849 241.637 1.00 0.00 C +ATOM 57 CA GLY A 57 254.337 256.937 244.950 1.00 0.00 C +ATOM 58 CA THR A 58 253.272 260.501 245.776 1.00 0.00 C +ATOM 59 CA LYS A 59 252.960 261.721 249.372 1.00 0.00 C +ATOM 60 CA PRO A 60 254.422 258.896 251.468 1.00 0.00 C +ATOM 61 CA THR A 61 254.661 255.221 252.447 1.00 0.00 C +ATOM 62 CA GLU A 62 257.994 253.376 252.430 1.00 0.00 C +ATOM 63 CA GLY A 63 259.004 252.590 248.841 1.00 0.00 C +ATOM 64 CA THR A 64 260.020 253.822 245.382 1.00 0.00 C +ATOM 65 CA ALA A 65 263.711 253.296 244.597 1.00 0.00 C +ATOM 66 CA PRO A 66 265.968 254.819 241.932 1.00 0.00 C +ATOM 67 CA ASN A 67 269.178 256.320 243.332 1.00 0.00 C +ATOM 68 CA PRO A 68 269.466 259.456 245.475 1.00 0.00 C +ATOM 69 CA PRO A 69 268.390 259.282 249.126 1.00 0.00 C +ATOM 70 CA THR A 70 266.425 262.274 250.430 1.00 0.00 C +ATOM 71 CA LEU A 71 264.801 265.705 250.095 1.00 0.00 C +ATOM 72 CA ALA A 72 265.238 269.478 249.796 1.00 0.00 C +ATOM 73 CA GLU A 73 265.838 273.148 248.970 1.00 0.00 C +ATOM 74 CA ARG A 74 266.347 276.512 247.255 1.00 0.00 C +ATOM 75 CA ARG A 75 265.859 279.507 249.560 1.00 0.00 C +ATOM 76 CA ARG A 76 265.586 279.149 253.343 1.00 0.00 C +ATOM 77 CA SER A 77 263.488 277.042 255.726 1.00 0.00 C +ATOM 78 CA SER A 78 263.132 273.439 254.540 1.00 0.00 C +ATOM 79 CA ALA A 79 260.184 272.164 252.491 1.00 0.00 C +ATOM 80 CA GLY A 80 257.203 269.934 253.305 1.00 0.00 C +ATOM 81 CA SER A 81 257.972 267.655 256.259 1.00 0.00 C +ATOM 82 CA SER A 82 256.640 265.952 259.396 1.00 0.00 C +ATOM 83 CA GLY A 83 253.717 263.521 259.647 1.00 0.00 C +ATOM 84 CA GLY A 84 253.218 259.744 259.605 1.00 0.00 C +ATOM 85 CA LEU A 85 253.722 256.033 258.905 1.00 0.00 C +ATOM 86 CA PHE A 86 250.508 254.035 259.341 1.00 0.00 C +ATOM 87 CA SER A 87 246.990 255.420 258.871 1.00 0.00 C +ATOM 88 CA ASN A 88 243.187 255.310 258.670 1.00 0.00 C +ATOM 89 CA LEU A 89 239.573 254.504 259.568 1.00 0.00 C +ATOM 90 CA ASN A 90 236.045 253.895 260.873 1.00 0.00 C +ATOM 91 CA THR A 91 236.100 253.383 264.648 1.00 0.00 C +ATOM 92 CA GLN A 92 236.933 255.950 267.338 1.00 0.00 C +ATOM 93 CA LYS A 93 237.786 259.481 266.190 1.00 0.00 C +ATOM 94 CA ARG A 94 239.061 260.943 262.911 1.00 0.00 C +ATOM 95 CA GLU A 95 242.553 262.354 262.336 1.00 0.00 C +ATOM 96 CA SER A 96 243.171 262.373 258.576 1.00 0.00 C +ATOM 97 CA THR A 97 241.328 262.945 255.291 1.00 0.00 C +ATOM 98 CA ASN A 98 238.757 265.366 253.861 1.00 0.00 C +ATOM 99 CA PRO A 99 237.229 263.749 250.768 1.00 0.00 C +ATOM 100 CA ASP A 100 234.659 261.488 249.095 1.00 0.00 C +ATOM 101 CA MET A 101 233.416 260.559 245.615 1.00 0.00 C +ATOM 102 CA ALA A 102 232.032 257.012 245.734 1.00 0.00 C +ATOM 103 CA THR A 103 233.951 254.457 243.659 1.00 0.00 C +ATOM 104 CA ARG A 104 231.243 252.144 242.303 1.00 0.00 C +ATOM 105 CA ARG A 105 229.650 248.735 242.896 1.00 0.00 C +ATOM 106 CA ALA A 106 228.350 245.328 241.792 1.00 0.00 C +ATOM 107 CA SER A 107 226.698 242.350 240.083 1.00 0.00 C +ATOM 108 CA TRP A 108 222.950 242.736 239.514 1.00 0.00 C +ATOM 109 CA ASN A 109 221.074 239.991 237.653 1.00 0.00 C +ATOM 110 CA GLU A 110 221.679 237.920 234.513 1.00 0.00 C +ATOM 111 CA GLN A 111 223.468 240.017 231.883 1.00 0.00 C +ATOM 112 CA ALA A 112 225.759 241.184 229.070 1.00 0.00 C +ATOM 113 CA ALA A 113 225.085 240.175 225.458 1.00 0.00 C +ATOM 114 CA LYS A 114 228.062 239.147 223.315 1.00 0.00 C +ATOM 115 CA GLY A 115 227.264 239.394 219.598 1.00 0.00 C +ATOM 116 CA GLY A 116 226.466 239.903 215.907 1.00 0.00 C +ATOM 117 CA MET A 117 224.820 236.658 214.775 1.00 0.00 C +ATOM 118 CA PHE A 118 225.620 234.299 211.892 1.00 0.00 C +ATOM 119 CA SER A 119 227.897 231.267 212.262 1.00 0.00 C +ATOM 120 CA LYS A 120 230.891 229.097 211.344 1.00 0.00 C +ATOM 121 CA TRP A 121 234.254 229.435 213.103 1.00 0.00 C +ATOM 122 CA TRP A 122 237.280 231.674 212.512 1.00 0.00 C +ATOM 123 CA GLU A 123 239.282 232.241 209.321 1.00 0.00 C +ATOM 124 CA GLY A 124 242.013 232.605 206.690 1.00 0.00 C +ATOM 125 CA TYR A 125 241.997 235.449 204.154 1.00 0.00 C +ATOM 126 CA THR A 126 245.039 237.731 203.923 1.00 0.00 C +ATOM 127 CA ARG A 127 248.041 236.155 202.185 1.00 0.00 C +ATOM 128 CA GLY A 128 246.768 234.809 198.856 1.00 0.00 C +ATOM 129 CA SER A 129 243.414 234.249 197.139 1.00 0.00 C +ATOM 130 CA ASP A 130 242.938 232.367 193.860 1.00 0.00 C +ATOM 131 CA SER A 131 245.035 231.764 190.737 1.00 0.00 C +ATOM 132 CA LYS A 132 245.517 229.503 187.708 1.00 0.00 C +TER 133 LYS A 132 +END diff --git a/Fungi/A0A9P5GYU3/A0A9P5GYU3.dcd b/Fungi/A0A9P5GYU3/A0A9P5GYU3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..0287d0acea4b65dfedc060d9c7b638512d08e88f --- /dev/null +++ b/Fungi/A0A9P5GYU3/A0A9P5GYU3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c19e9a789d4a6a96c5a415db64b25e887ca6ce29df3ac98dfce37f78c32e5680 +size 17600276 diff --git a/Fungi/A0A9P5GYU3/top.pdb b/Fungi/A0A9P5GYU3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4ccb03fb19f0793120ea8bb11beb571373f3f1d1 --- /dev/null +++ b/Fungi/A0A9P5GYU3/top.pdb @@ -0,0 +1,144 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 215.586 295.397 225.726 1.00 0.00 C +ATOM 2 CA ALA A 2 215.194 299.143 225.150 1.00 0.00 C +ATOM 3 CA PRO A 3 212.758 300.396 222.502 1.00 0.00 C +ATOM 4 CA TRP A 4 211.283 298.040 219.896 1.00 0.00 C +ATOM 5 CA SER A 5 211.534 294.307 219.177 1.00 0.00 C +ATOM 6 CA SER A 6 214.557 292.010 218.858 1.00 0.00 C +ATOM 7 CA ARG A 7 216.940 290.148 221.175 1.00 0.00 C +ATOM 8 CA ARG A 8 220.567 291.251 220.787 1.00 0.00 C +ATOM 9 CA GLY A 9 223.519 289.880 218.807 1.00 0.00 C +ATOM 10 CA SER A 10 226.368 287.697 217.529 1.00 0.00 C +ATOM 11 CA GLN A 11 227.099 289.071 214.051 1.00 0.00 C +ATOM 12 CA PRO A 12 229.616 290.349 211.492 1.00 0.00 C +ATOM 13 CA ASN A 13 232.802 289.434 209.615 1.00 0.00 C +ATOM 14 CA ASN A 14 236.062 290.457 211.301 1.00 0.00 C +ATOM 15 CA HIS A 15 238.722 292.264 213.344 1.00 0.00 C +ATOM 16 CA PRO A 16 242.428 292.476 212.486 1.00 0.00 C +ATOM 17 CA GLY A 17 244.799 292.710 209.513 1.00 0.00 C +ATOM 18 CA ASP A 18 243.674 293.255 205.914 1.00 0.00 C +ATOM 19 CA LEU A 19 241.815 294.228 202.734 1.00 0.00 C +ATOM 20 CA ILE A 20 241.533 297.824 201.506 1.00 0.00 C +ATOM 21 CA SER A 21 239.778 299.895 204.179 1.00 0.00 C +ATOM 22 CA ARG A 22 238.065 297.689 206.770 1.00 0.00 C +ATOM 23 CA ILE A 23 235.038 295.553 205.879 1.00 0.00 C +ATOM 24 CA HIS A 24 231.555 294.958 204.455 1.00 0.00 C +ATOM 25 CA HIS A 25 230.296 292.376 201.952 1.00 0.00 C +ATOM 26 CA SER A 26 228.622 289.052 202.769 1.00 0.00 C +ATOM 27 CA ALA A 27 227.600 285.865 204.591 1.00 0.00 C +ATOM 28 CA ARG A 28 224.157 285.444 206.166 1.00 0.00 C +ATOM 29 CA ASN A 29 223.398 285.610 209.896 1.00 0.00 C +ATOM 30 CA THR A 30 223.550 283.189 212.834 1.00 0.00 C +ATOM 31 CA SER A 31 223.711 280.577 215.603 1.00 0.00 C +ATOM 32 CA SER A 32 224.988 276.988 215.562 1.00 0.00 C +ATOM 33 CA THR A 33 226.794 273.940 214.161 1.00 0.00 C +ATOM 34 CA LEU A 34 230.368 272.619 214.190 1.00 0.00 C +ATOM 35 CA SER A 35 232.917 269.791 214.050 1.00 0.00 C +ATOM 36 CA PRO A 36 234.540 269.270 217.457 1.00 0.00 C +ATOM 37 CA SER A 37 238.115 270.564 217.714 1.00 0.00 C +ATOM 38 CA LEU A 38 240.318 268.766 220.250 1.00 0.00 C +ATOM 39 CA GLY A 39 243.152 266.439 221.283 1.00 0.00 C +ATOM 40 CA SER A 40 242.524 262.986 219.800 1.00 0.00 C +ATOM 41 CA ARG A 41 240.960 259.617 220.649 1.00 0.00 C +ATOM 42 CA PHE A 42 239.658 258.592 224.080 1.00 0.00 C +ATOM 43 CA ASP A 43 238.593 255.192 225.431 1.00 0.00 C +ATOM 44 CA ILE A 44 240.672 252.272 226.721 1.00 0.00 C +ATOM 45 CA SER A 45 244.192 251.589 228.010 1.00 0.00 C +ATOM 46 CA ASN A 46 244.809 249.950 231.394 1.00 0.00 C +ATOM 47 CA ALA A 47 244.885 246.834 233.585 1.00 0.00 C +ATOM 48 CA HIS A 48 245.434 243.373 235.079 1.00 0.00 C +ATOM 49 CA ALA A 49 243.471 243.180 238.339 1.00 0.00 C +ATOM 50 CA ASP A 50 243.543 240.190 240.700 1.00 0.00 C +ATOM 51 CA SER A 51 244.582 237.057 238.798 1.00 0.00 C +ATOM 52 CA SER A 52 242.253 236.118 235.933 1.00 0.00 C +ATOM 53 CA ASP A 53 242.359 232.374 235.234 1.00 0.00 C +ATOM 54 CA SER A 54 241.781 229.527 237.700 1.00 0.00 C +ATOM 55 CA ASP A 55 240.449 230.728 241.061 1.00 0.00 C +ATOM 56 CA ALA A 56 242.543 228.944 243.697 1.00 0.00 C +ATOM 57 CA ASP A 57 245.927 230.174 244.943 1.00 0.00 C +ATOM 58 CA PHE A 58 245.411 232.387 248.001 1.00 0.00 C +ATOM 59 CA HIS A 59 244.342 230.648 251.218 1.00 0.00 C +ATOM 60 CA ALA A 60 243.638 229.816 254.869 1.00 0.00 C +ATOM 61 CA ALA A 61 242.029 226.497 255.826 1.00 0.00 C +ATOM 62 CA ALA A 62 240.491 226.530 259.311 1.00 0.00 C +ATOM 63 CA SER A 63 239.531 226.040 262.965 1.00 0.00 C +ATOM 64 CA SER A 64 237.691 226.799 266.214 1.00 0.00 C +ATOM 65 CA ARG A 65 235.404 228.532 268.721 1.00 0.00 C +ATOM 66 CA PRO A 66 236.640 231.663 270.506 1.00 0.00 C +ATOM 67 CA ARG A 67 238.465 230.619 273.683 1.00 0.00 C +ATOM 68 CA LYS A 68 237.392 233.205 276.267 1.00 0.00 C +ATOM 69 CA SER A 69 234.121 235.157 276.351 1.00 0.00 C +ATOM 70 CA ARG A 70 231.245 235.235 278.848 1.00 0.00 C +ATOM 71 CA PRO A 71 232.469 236.965 282.015 1.00 0.00 C +ATOM 72 CA ALA A 72 235.493 238.323 283.894 1.00 0.00 C +ATOM 73 CA GLN A 73 239.247 238.943 284.095 1.00 0.00 C +ATOM 74 CA HIS A 74 241.561 238.975 287.121 1.00 0.00 C +ATOM 75 CA SER A 75 245.342 239.034 286.661 1.00 0.00 C +ATOM 76 CA ARG A 76 247.417 237.978 283.645 1.00 0.00 C +ATOM 77 CA SER A 77 250.822 237.806 281.943 1.00 0.00 C +ATOM 78 CA MET A 78 253.157 239.966 284.040 1.00 0.00 C +ATOM 79 CA SER A 79 251.197 241.173 287.076 1.00 0.00 C +ATOM 80 CA GLN A 80 251.789 239.288 290.333 1.00 0.00 C +ATOM 81 CA PRO A 81 251.148 235.537 290.132 1.00 0.00 C +ATOM 82 CA PHE A 82 253.873 233.093 291.190 1.00 0.00 C +ATOM 83 CA PRO A 83 254.470 229.473 290.162 1.00 0.00 C +ATOM 84 CA SER A 84 256.065 228.411 286.869 1.00 0.00 C +ATOM 85 CA LEU A 85 255.035 228.173 283.209 1.00 0.00 C +ATOM 86 CA PHE A 86 254.183 225.095 281.132 1.00 0.00 C +ATOM 87 CA SER A 87 255.234 221.917 279.312 1.00 0.00 C +ATOM 88 CA GLY A 88 258.059 220.343 281.327 1.00 0.00 C +ATOM 89 CA LYS A 89 260.873 222.342 282.939 1.00 0.00 C +ATOM 90 CA LYS A 90 264.526 223.156 283.653 1.00 0.00 C +ATOM 91 CA LYS A 91 266.807 223.269 286.703 1.00 0.00 C +ATOM 92 CA LYS A 92 270.160 223.322 288.511 1.00 0.00 C +ATOM 93 CA ARG A 93 270.141 222.857 292.293 1.00 0.00 C +ATOM 94 CA GLN A 94 273.089 223.130 294.691 1.00 0.00 C +ATOM 95 CA SER A 95 276.850 222.860 294.144 1.00 0.00 C +ATOM 96 CA SER A 96 278.570 225.872 292.568 1.00 0.00 C +ATOM 97 CA VAL A 97 282.023 225.231 291.090 1.00 0.00 C +ATOM 98 CA SER A 98 284.009 225.959 287.922 1.00 0.00 C +ATOM 99 CA GLY A 99 282.670 228.894 285.894 1.00 0.00 C +ATOM 100 CA LEU A 100 280.863 232.152 285.098 1.00 0.00 C +ATOM 101 CA PRO A 101 278.667 234.177 282.733 1.00 0.00 C +ATOM 102 CA PRO A 102 277.210 232.673 279.549 1.00 0.00 C +ATOM 103 CA ASP A 103 277.234 230.499 276.420 1.00 0.00 C +ATOM 104 CA LEU A 104 277.917 231.684 272.864 1.00 0.00 C +ATOM 105 CA GLY A 105 277.006 231.118 269.208 1.00 0.00 C +ATOM 106 CA PHE A 106 276.940 233.035 265.917 1.00 0.00 C +ATOM 107 CA VAL A 107 278.058 236.624 265.296 1.00 0.00 C +ATOM 108 CA ASP A 108 279.304 239.079 262.661 1.00 0.00 C +ATOM 109 CA ASP A 109 276.725 240.847 260.485 1.00 0.00 C +ATOM 110 CA ASP A 110 273.191 240.011 261.639 1.00 0.00 C +ATOM 111 CA VAL A 111 271.363 240.311 264.969 1.00 0.00 C +ATOM 112 CA VAL A 112 268.744 240.232 267.734 1.00 0.00 C +ATOM 113 CA LEU A 113 270.211 238.327 270.690 1.00 0.00 C +ATOM 114 CA PRO A 114 268.289 236.713 273.556 1.00 0.00 C +ATOM 115 CA PRO A 115 265.118 238.081 275.164 1.00 0.00 C +ATOM 116 CA PRO A 116 263.060 236.125 277.705 1.00 0.00 C +ATOM 117 CA PRO A 117 265.234 233.287 279.022 1.00 0.00 C +ATOM 118 CA ARG A 118 267.000 231.061 281.561 1.00 0.00 C +ATOM 119 CA PRO A 119 270.600 229.909 281.085 1.00 0.00 C +ATOM 120 CA THR A 120 270.621 228.246 277.657 1.00 0.00 C +ATOM 121 CA THR A 121 268.102 228.187 274.799 1.00 0.00 C +ATOM 122 CA LYS A 122 269.300 230.760 272.256 1.00 0.00 C +ATOM 123 CA THR A 123 269.851 231.220 268.515 1.00 0.00 C +ATOM 124 CA HIS A 124 269.419 233.192 265.283 1.00 0.00 C +ATOM 125 CA THR A 125 271.353 233.472 262.013 1.00 0.00 C +ATOM 126 CA ARG A 126 270.634 234.918 258.562 1.00 0.00 C +ATOM 127 CA GLY A 127 271.107 235.723 254.868 1.00 0.00 C +ATOM 128 CA ALA A 128 270.100 237.517 251.661 1.00 0.00 C +ATOM 129 CA PRO A 129 269.522 241.282 251.585 1.00 0.00 C +ATOM 130 CA PRO A 130 265.995 242.006 250.339 1.00 0.00 C +ATOM 131 CA GLY A 131 263.756 244.335 248.320 1.00 0.00 C +ATOM 132 CA ALA A 132 264.045 246.686 245.336 1.00 0.00 C +ATOM 133 CA ARG A 133 262.933 248.358 242.098 1.00 0.00 C +ATOM 134 CA THR A 134 262.471 249.757 238.585 1.00 0.00 C +ATOM 135 CA LEU A 135 265.595 248.737 236.657 1.00 0.00 C +ATOM 136 CA ARG A 136 268.563 246.354 236.484 1.00 0.00 C +ATOM 137 CA PRO A 137 269.722 242.980 235.146 1.00 0.00 C +ATOM 138 CA GLU A 138 266.808 240.592 234.578 1.00 0.00 C +ATOM 139 CA ALA A 139 265.104 237.292 235.428 1.00 0.00 C +ATOM 140 CA ALA A 140 267.131 234.306 236.649 1.00 0.00 C +TER 141 ALA A 140 +END diff --git a/Fungi/A0A9P5IUM0/A0A9P5IUM0.dcd b/Fungi/A0A9P5IUM0/A0A9P5IUM0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..23e127e6353f74ff57d02ea72d717071c3b187c8 --- /dev/null +++ b/Fungi/A0A9P5IUM0/A0A9P5IUM0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6fa5dc32d44ccb6850c5d8b52b60a6748cd6437f976388c8f68dad879b1155da +size 22160276 diff --git a/Fungi/A0A9P5IUM0/top.pdb b/Fungi/A0A9P5IUM0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0a7829707dbbbb8ebcba9692e5d7e6fa8d5d45b6 --- /dev/null +++ b/Fungi/A0A9P5IUM0/top.pdb @@ -0,0 +1,182 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 235.059 264.291 216.680 1.00 0.00 C +ATOM 2 CA ALA A 2 236.255 262.743 213.411 1.00 0.00 C +ATOM 3 CA SER A 3 239.134 261.331 211.353 1.00 0.00 C +ATOM 4 CA THR A 4 240.687 259.846 208.207 1.00 0.00 C +ATOM 5 CA SER A 5 242.158 256.332 208.145 1.00 0.00 C +ATOM 6 CA THR A 6 241.182 254.533 211.358 1.00 0.00 C +ATOM 7 CA PRO A 7 243.209 254.795 214.574 1.00 0.00 C +ATOM 8 CA PRO A 8 244.499 257.170 217.260 1.00 0.00 C +ATOM 9 CA VAL A 9 246.144 256.571 220.643 1.00 0.00 C +ATOM 10 CA GLY A 10 248.575 257.035 223.541 1.00 0.00 C +ATOM 11 CA ARG A 11 252.040 256.035 222.314 1.00 0.00 C +ATOM 12 CA THR A 12 252.276 256.723 218.574 1.00 0.00 C +ATOM 13 CA GLN A 13 252.859 260.142 216.996 1.00 0.00 C +ATOM 14 CA THR A 14 256.322 260.373 215.424 1.00 0.00 C +ATOM 15 CA ARG A 15 256.471 260.129 211.624 1.00 0.00 C +ATOM 16 CA ILE A 16 254.386 261.024 208.563 1.00 0.00 C +ATOM 17 CA GLN A 17 251.766 259.502 206.254 1.00 0.00 C +ATOM 18 CA GLY A 18 249.769 256.776 204.493 1.00 0.00 C +ATOM 19 CA GLN A 19 246.399 257.722 202.987 1.00 0.00 C +ATOM 20 CA ALA A 20 243.793 255.022 202.327 1.00 0.00 C +ATOM 21 CA GLN A 21 243.500 254.260 198.606 1.00 0.00 C +ATOM 22 CA THR A 22 246.876 254.630 196.878 1.00 0.00 C +ATOM 23 CA ALA A 23 247.829 258.318 196.795 1.00 0.00 C +ATOM 24 CA PRO A 24 251.538 259.082 197.208 1.00 0.00 C +ATOM 25 CA GLN A 25 252.612 262.369 198.808 1.00 0.00 C +ATOM 26 CA ASN A 26 255.311 265.057 198.892 1.00 0.00 C +ATOM 27 CA ARG A 27 257.426 265.639 195.778 1.00 0.00 C +ATOM 28 CA GLY A 28 257.215 267.507 192.464 1.00 0.00 C +ATOM 29 CA SER A 29 258.602 268.780 189.151 1.00 0.00 C +ATOM 30 CA LEU A 30 259.312 272.267 187.791 1.00 0.00 C +ATOM 31 CA THR A 31 256.256 274.525 188.072 1.00 0.00 C +ATOM 32 CA ILE A 32 253.609 277.260 188.229 1.00 0.00 C +ATOM 33 CA THR A 33 252.023 277.359 191.692 1.00 0.00 C +ATOM 34 CA GLN A 34 249.857 280.131 193.157 1.00 0.00 C +ATOM 35 CA SER A 35 246.988 279.185 195.477 1.00 0.00 C +ATOM 36 CA GLN A 36 244.804 281.281 197.791 1.00 0.00 C +ATOM 37 CA SER A 37 242.658 282.779 200.559 1.00 0.00 C +ATOM 38 CA ASN A 38 239.050 281.971 201.476 1.00 0.00 C +ATOM 39 CA THR A 39 238.697 278.991 203.824 1.00 0.00 C +ATOM 40 CA ASN A 40 240.145 279.042 207.347 1.00 0.00 C +ATOM 41 CA THR A 41 241.761 276.884 210.039 1.00 0.00 C +ATOM 42 CA PRO A 42 244.992 276.224 211.947 1.00 0.00 C +ATOM 43 CA VAL A 43 247.898 276.449 214.401 1.00 0.00 C +ATOM 44 CA LEU A 44 250.265 273.465 214.311 1.00 0.00 C +ATOM 45 CA ARG A 45 248.635 270.027 214.124 1.00 0.00 C +ATOM 46 CA LEU A 46 250.297 266.630 213.665 1.00 0.00 C +ATOM 47 CA ARG A 47 253.206 266.298 211.227 1.00 0.00 C +ATOM 48 CA GLY A 48 254.384 266.992 207.671 1.00 0.00 C +ATOM 49 CA ALA A 49 257.614 268.526 206.357 1.00 0.00 C +ATOM 50 CA PRO A 50 259.314 270.815 208.885 1.00 0.00 C +ATOM 51 CA ASN A 51 259.701 271.675 212.576 1.00 0.00 C +ATOM 52 CA THR A 52 258.121 269.394 215.188 1.00 0.00 C +ATOM 53 CA GLU A 53 256.341 271.592 217.741 1.00 0.00 C +ATOM 54 CA SER A 54 254.135 273.783 219.943 1.00 0.00 C +ATOM 55 CA GLU A 55 255.973 276.992 220.856 1.00 0.00 C +ATOM 56 CA SER A 56 256.400 280.002 223.154 1.00 0.00 C +ATOM 57 CA SER A 57 254.542 281.295 226.219 1.00 0.00 C +ATOM 58 CA ALA A 58 251.877 279.781 228.482 1.00 0.00 C +ATOM 59 CA ASP A 59 250.018 276.459 228.318 1.00 0.00 C +ATOM 60 CA GLY A 60 248.746 275.393 224.889 1.00 0.00 C +ATOM 61 CA GLU A 61 245.664 273.154 224.843 1.00 0.00 C +ATOM 62 CA THR A 62 242.666 275.404 225.527 1.00 0.00 C +ATOM 63 CA GLY A 63 240.502 274.560 228.547 1.00 0.00 C +ATOM 64 CA LEU A 64 239.393 272.176 231.304 1.00 0.00 C +ATOM 65 CA GLY A 65 237.091 272.513 234.321 1.00 0.00 C +ATOM 66 CA ARG A 66 236.479 274.928 237.204 1.00 0.00 C +ATOM 67 CA GLY A 67 236.995 273.186 240.553 1.00 0.00 C +ATOM 68 CA ARG A 68 234.659 274.634 243.192 1.00 0.00 C +ATOM 69 CA ARG A 69 236.448 276.708 245.840 1.00 0.00 C +ATOM 70 CA ILE A 70 240.223 276.221 246.001 1.00 0.00 C +ATOM 71 CA GLN A 71 242.313 278.752 247.935 1.00 0.00 C +ATOM 72 CA TRP A 72 241.873 278.820 251.719 1.00 0.00 C +ATOM 73 CA ALA A 73 241.790 279.612 255.445 1.00 0.00 C +ATOM 74 CA GLU A 74 238.276 280.147 256.817 1.00 0.00 C +ATOM 75 CA ASP A 75 237.352 278.081 259.882 1.00 0.00 C +ATOM 76 CA VAL A 76 238.698 277.709 263.427 1.00 0.00 C +ATOM 77 CA VAL A 77 238.257 274.105 264.582 1.00 0.00 C +ATOM 78 CA ASP A 78 235.862 271.188 264.063 1.00 0.00 C +ATOM 79 CA ASN A 79 234.697 267.565 264.250 1.00 0.00 C +ATOM 80 CA GLU A 80 232.121 267.328 267.047 1.00 0.00 C +ATOM 81 CA GLY A 81 229.376 269.378 268.714 1.00 0.00 C +ATOM 82 CA LEU A 82 229.627 271.035 272.136 1.00 0.00 C +ATOM 83 CA GLY A 83 232.541 269.796 274.256 1.00 0.00 C +ATOM 84 CA ARG A 84 234.852 270.714 277.142 1.00 0.00 C +ATOM 85 CA LYS A 85 238.344 271.608 278.375 1.00 0.00 C +ATOM 86 CA LYS A 86 240.235 273.776 275.877 1.00 0.00 C +ATOM 87 CA SER A 87 242.215 276.940 276.641 1.00 0.00 C +ATOM 88 CA LYS A 88 244.125 279.536 274.609 1.00 0.00 C +ATOM 89 CA VAL A 89 244.038 281.230 271.198 1.00 0.00 C +ATOM 90 CA CYS A 90 245.866 284.555 271.541 1.00 0.00 C +ATOM 91 CA CYS A 91 249.090 286.368 270.629 1.00 0.00 C +ATOM 92 CA ILE A 92 249.989 285.246 267.100 1.00 0.00 C +ATOM 93 CA TYR A 93 250.937 283.945 263.647 1.00 0.00 C +ATOM 94 CA HIS A 94 248.926 281.161 261.999 1.00 0.00 C +ATOM 95 CA ALA A 95 245.638 281.103 260.074 1.00 0.00 C +ATOM 96 CA PRO A 96 243.144 282.781 262.414 1.00 0.00 C +ATOM 97 CA ARG A 97 241.374 283.569 265.695 1.00 0.00 C +ATOM 98 CA PRO A 98 238.151 284.619 267.435 1.00 0.00 C +ATOM 99 CA ILE A 99 235.068 282.381 267.483 1.00 0.00 C +ATOM 100 CA ASP A 100 233.379 279.268 268.886 1.00 0.00 C +ATOM 101 CA GLU A 101 233.874 275.490 268.881 1.00 0.00 C +ATOM 102 CA SER A 102 237.172 274.656 270.598 1.00 0.00 C +ATOM 103 CA SER A 103 237.872 271.004 269.769 1.00 0.00 C +ATOM 104 CA ASP A 104 241.181 269.951 271.337 1.00 0.00 C +ATOM 105 CA GLU A 105 243.429 267.130 270.109 1.00 0.00 C +ATOM 106 CA SER A 106 246.833 268.436 269.004 1.00 0.00 C +ATOM 107 CA SER A 107 249.169 265.891 267.397 1.00 0.00 C +ATOM 108 CA SER A 108 248.560 262.336 268.626 1.00 0.00 C +ATOM 109 CA ASP A 109 248.884 259.046 270.521 1.00 0.00 C +ATOM 110 CA SER A 110 251.867 257.539 272.350 1.00 0.00 C +ATOM 111 CA ASP A 111 254.534 256.956 275.008 1.00 0.00 C +ATOM 112 CA ASP A 112 256.561 259.191 277.335 1.00 0.00 C +ATOM 113 CA SER A 113 259.131 257.161 279.282 1.00 0.00 C +ATOM 114 CA SER A 114 257.180 255.202 281.904 1.00 0.00 C +ATOM 115 CA SER A 115 257.648 254.905 285.674 1.00 0.00 C +ATOM 116 CA ASP A 116 254.595 256.394 287.399 1.00 0.00 C +ATOM 117 CA ASP A 117 251.937 259.121 287.273 1.00 0.00 C +ATOM 118 CA ASP A 118 252.221 262.543 285.624 1.00 0.00 C +ATOM 119 CA ASP A 119 255.064 264.621 287.080 1.00 0.00 C +ATOM 120 CA GLY A 120 254.982 264.951 290.875 1.00 0.00 C +ATOM 121 CA SER A 121 255.425 261.438 292.282 1.00 0.00 C +ATOM 122 CA ALA A 122 258.660 260.666 294.141 1.00 0.00 C +ATOM 123 CA LYS A 123 259.357 260.488 297.883 1.00 0.00 C +ATOM 124 CA PRO A 124 262.505 258.384 298.298 1.00 0.00 C +ATOM 125 CA SER A 125 264.803 255.454 299.105 1.00 0.00 C +ATOM 126 CA GLY A 126 266.196 254.049 302.361 1.00 0.00 C +ATOM 127 CA GLY A 127 266.139 250.609 303.998 1.00 0.00 C +ATOM 128 CA GLY A 128 262.663 249.149 304.552 1.00 0.00 C +ATOM 129 CA ARG A 129 260.030 247.911 302.092 1.00 0.00 C +ATOM 130 CA LYS A 130 259.951 248.908 298.415 1.00 0.00 C +ATOM 131 CA GLY A 131 258.731 247.641 295.036 1.00 0.00 C +ATOM 132 CA GLY A 132 258.826 243.856 294.616 1.00 0.00 C +ATOM 133 CA GLY A 133 256.180 241.621 293.027 1.00 0.00 C +ATOM 134 CA HIS A 134 255.671 237.893 292.433 1.00 0.00 C +ATOM 135 CA ASP A 135 252.866 236.598 290.203 1.00 0.00 C +ATOM 136 CA HIS A 136 252.056 233.017 289.183 1.00 0.00 C +ATOM 137 CA ASP A 137 250.734 232.331 285.677 1.00 0.00 C +ATOM 138 CA HIS A 138 248.399 229.455 284.787 1.00 0.00 C +ATOM 139 CA ASP A 139 245.347 227.471 285.913 1.00 0.00 C +ATOM 140 CA HIS A 140 244.879 223.706 286.258 1.00 0.00 C +ATOM 141 CA GLN A 141 241.367 222.386 285.599 1.00 0.00 C +ATOM 142 CA HIS A 142 238.554 220.823 283.558 1.00 0.00 C +ATOM 143 CA GLY A 143 237.643 218.731 280.507 1.00 0.00 C +ATOM 144 CA ASP A 144 239.052 217.392 277.230 1.00 0.00 C +ATOM 145 CA GLY A 145 242.193 216.168 275.455 1.00 0.00 C +ATOM 146 CA CYS A 146 242.043 213.817 272.461 1.00 0.00 C +ATOM 147 CA GLY A 147 242.128 210.682 270.297 1.00 0.00 C +ATOM 148 CA HIS A 148 242.515 207.268 268.650 1.00 0.00 C +ATOM 149 CA GLY A 149 245.928 205.639 268.190 1.00 0.00 C +ATOM 150 CA LYS A 150 248.432 203.048 266.952 1.00 0.00 C +ATOM 151 CA GLY A 151 251.545 200.858 267.124 1.00 0.00 C +ATOM 152 CA LYS A 152 254.715 202.959 267.353 1.00 0.00 C +ATOM 153 CA GLY A 153 258.355 202.108 266.617 1.00 0.00 C +ATOM 154 CA LYS A 154 261.249 200.819 264.499 1.00 0.00 C +ATOM 155 CA LYS A 155 262.811 198.193 262.224 1.00 0.00 C +ATOM 156 CA GLY A 156 260.853 197.613 259.008 1.00 0.00 C +ATOM 157 CA LYS A 157 260.773 193.900 258.158 1.00 0.00 C +ATOM 158 CA GLU A 158 260.688 190.400 259.661 1.00 0.00 C +ATOM 159 CA ARG A 159 260.446 187.532 262.157 1.00 0.00 C +ATOM 160 CA LYS A 160 260.902 184.069 263.680 1.00 0.00 C +ATOM 161 CA ARG A 161 261.493 183.969 267.442 1.00 0.00 C +ATOM 162 CA SER A 162 259.527 182.008 270.050 1.00 0.00 C +ATOM 163 CA PRO A 163 256.285 180.490 271.354 1.00 0.00 C +ATOM 164 CA ASN A 164 255.943 176.773 270.588 1.00 0.00 C +ATOM 165 CA ALA A 165 257.953 173.538 270.682 1.00 0.00 C +ATOM 166 CA TYR A 166 259.617 172.424 273.923 1.00 0.00 C +ATOM 167 CA GLU A 167 261.328 173.222 277.233 1.00 0.00 C +ATOM 168 CA ARG A 168 265.010 172.765 278.096 1.00 0.00 C +ATOM 169 CA GLN A 169 268.618 171.601 277.719 1.00 0.00 C +ATOM 170 CA PRO A 170 270.368 168.778 275.852 1.00 0.00 C +ATOM 171 CA ASN A 171 268.905 166.342 273.313 1.00 0.00 C +ATOM 172 CA TYR A 172 268.255 166.363 269.559 1.00 0.00 C +ATOM 173 CA LYS A 173 270.524 167.442 266.696 1.00 0.00 C +ATOM 174 CA GLY A 174 273.009 169.983 265.324 1.00 0.00 C +ATOM 175 CA LYS A 175 271.377 172.157 262.655 1.00 0.00 C +ATOM 176 CA GLY A 176 273.756 172.241 259.680 1.00 0.00 C +ATOM 177 CA LYS A 177 273.320 170.860 256.156 1.00 0.00 C +ATOM 178 CA GLY A 178 270.623 168.467 254.924 1.00 0.00 C +TER 179 GLY A 178 +END diff --git a/Fungi/A0A9P5UD22/A0A9P5UD22.dcd b/Fungi/A0A9P5UD22/A0A9P5UD22.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e80e2d5433c35ce6fee94fa83612392abbae57d6 --- /dev/null +++ b/Fungi/A0A9P5UD22/A0A9P5UD22.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fcf9a809f256a1c222b4533cb92bc33eecad5bac10e722ad69e988e8ac678b02 +size 12200276 diff --git a/Fungi/A0A9P5UD22/top.pdb b/Fungi/A0A9P5UD22/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9d02f30761b3aef715996ef97004e3e1f803d294 --- /dev/null +++ b/Fungi/A0A9P5UD22/top.pdb @@ -0,0 +1,99 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 256.491 236.561 251.125 1.00 0.00 C +ATOM 2 CA SER A 2 254.151 233.561 251.321 1.00 0.00 C +ATOM 3 CA ASP A 3 250.487 234.223 250.512 1.00 0.00 C +ATOM 4 CA GLU A 4 247.688 234.850 248.004 1.00 0.00 C +ATOM 5 CA TYR A 5 244.818 232.364 247.685 1.00 0.00 C +ATOM 6 CA GLY A 6 242.101 230.076 249.062 1.00 0.00 C +ATOM 7 CA ARG A 7 239.777 227.399 250.458 1.00 0.00 C +ATOM 8 CA ASN A 8 239.180 223.678 251.019 1.00 0.00 C +ATOM 9 CA GLY A 9 241.475 220.763 251.887 1.00 0.00 C +ATOM 10 CA PHE A 10 244.223 218.382 250.750 1.00 0.00 C +ATOM 11 CA LYS A 11 247.687 216.816 251.012 1.00 0.00 C +ATOM 12 CA ASP A 12 248.651 213.132 250.905 1.00 0.00 C +ATOM 13 CA SER A 13 252.289 212.184 251.522 1.00 0.00 C +ATOM 14 CA LEU A 14 254.278 213.363 254.551 1.00 0.00 C +ATOM 15 CA VAL A 15 255.571 213.411 258.134 1.00 0.00 C +ATOM 16 CA ASP A 16 259.052 214.288 259.409 1.00 0.00 C +ATOM 17 CA ASP A 17 262.084 216.593 259.516 1.00 0.00 C +ATOM 18 CA CYS A 18 265.189 218.114 257.915 1.00 0.00 C +ATOM 19 CA ASN A 19 264.659 221.722 256.811 1.00 0.00 C +ATOM 20 CA HIS A 20 261.496 221.771 254.687 1.00 0.00 C +ATOM 21 CA GLN A 21 259.277 221.933 251.594 1.00 0.00 C +ATOM 22 CA PRO A 22 259.395 219.100 249.049 1.00 0.00 C +ATOM 23 CA ARG A 23 258.942 215.616 250.523 1.00 0.00 C +ATOM 24 CA GLY A 24 260.399 212.334 251.797 1.00 0.00 C +ATOM 25 CA LYS A 25 262.276 209.026 251.581 1.00 0.00 C +ATOM 26 CA HIS A 26 265.801 208.917 250.139 1.00 0.00 C +ATOM 27 CA PHE A 27 266.060 208.817 246.339 1.00 0.00 C +ATOM 28 CA ASP A 28 266.090 212.221 244.628 1.00 0.00 C +ATOM 29 CA GLU A 29 268.795 214.670 243.532 1.00 0.00 C +ATOM 30 CA ARG A 30 268.948 217.969 245.430 1.00 0.00 C +ATOM 31 CA THR A 31 269.243 221.050 247.653 1.00 0.00 C +ATOM 32 CA ARG A 32 270.805 224.410 248.538 1.00 0.00 C +ATOM 33 CA ASN A 33 270.512 228.005 247.311 1.00 0.00 C +ATOM 34 CA TYR A 34 270.929 227.983 243.525 1.00 0.00 C +ATOM 35 CA PRO A 35 274.035 229.745 242.196 1.00 0.00 C +ATOM 36 CA PRO A 36 276.115 232.455 243.883 1.00 0.00 C +ATOM 37 CA LYS A 37 277.817 235.262 245.818 1.00 0.00 C +ATOM 38 CA ASN A 38 278.685 235.460 249.522 1.00 0.00 C +ATOM 39 CA ASP A 39 275.314 235.302 251.290 1.00 0.00 C +ATOM 40 CA THR A 40 273.972 237.747 253.885 1.00 0.00 C +ATOM 41 CA THR A 41 272.104 241.068 253.855 1.00 0.00 C +ATOM 42 CA SER A 42 272.435 244.858 253.647 1.00 0.00 C +ATOM 43 CA SER A 43 275.559 246.833 254.575 1.00 0.00 C +ATOM 44 CA GLY A 44 276.083 250.381 255.859 1.00 0.00 C +ATOM 45 CA GLY A 45 277.470 253.525 257.504 1.00 0.00 C +ATOM 46 CA PHE A 46 278.455 257.100 256.625 1.00 0.00 C +ATOM 47 CA SER A 47 276.610 259.892 254.804 1.00 0.00 C +ATOM 48 CA THR A 48 275.521 260.735 251.252 1.00 0.00 C +ATOM 49 CA THR A 49 272.376 261.009 249.118 1.00 0.00 C +ATOM 50 CA PRO A 50 268.606 260.851 248.595 1.00 0.00 C +ATOM 51 CA ASP A 51 265.536 258.634 248.171 1.00 0.00 C +ATOM 52 CA MET A 52 262.125 260.136 248.962 1.00 0.00 C +ATOM 53 CA TRP A 53 258.683 258.773 249.861 1.00 0.00 C +ATOM 54 CA SER A 54 255.169 260.151 250.379 1.00 0.00 C +ATOM 55 CA ASN A 55 252.782 257.720 248.673 1.00 0.00 C +ATOM 56 CA LYS A 56 249.480 257.250 250.515 1.00 0.00 C +ATOM 57 CA ALA A 57 246.290 259.013 249.405 1.00 0.00 C +ATOM 58 CA GLN A 58 247.078 261.243 246.418 1.00 0.00 C +ATOM 59 CA ARG A 59 247.068 262.270 242.749 1.00 0.00 C +ATOM 60 CA GLY A 60 246.418 263.776 239.310 1.00 0.00 C +ATOM 61 CA ASN A 61 245.630 266.738 237.047 1.00 0.00 C +ATOM 62 CA ASN A 62 244.593 270.381 237.463 1.00 0.00 C +ATOM 63 CA VAL A 63 243.695 273.131 234.984 1.00 0.00 C +ATOM 64 CA GLU A 64 241.499 273.289 231.875 1.00 0.00 C +ATOM 65 CA VAL A 65 237.776 273.449 232.668 1.00 0.00 C +ATOM 66 CA SER A 66 235.805 271.013 234.835 1.00 0.00 C +ATOM 67 CA SER A 67 237.184 267.493 235.311 1.00 0.00 C +ATOM 68 CA THR A 68 239.705 266.962 238.118 1.00 0.00 C +ATOM 69 CA GLY A 69 239.539 268.329 241.671 1.00 0.00 C +ATOM 70 CA SER A 70 238.557 268.527 245.347 1.00 0.00 C +ATOM 71 CA THR A 71 236.474 270.730 247.655 1.00 0.00 C +ATOM 72 CA GLY A 72 238.076 273.037 250.229 1.00 0.00 C +ATOM 73 CA LEU A 73 239.581 276.230 251.664 1.00 0.00 C +ATOM 74 CA ILE A 74 238.312 277.744 254.922 1.00 0.00 C +ATOM 75 CA ASP A 75 235.724 280.268 256.126 1.00 0.00 C +ATOM 76 CA GLN A 76 234.759 280.709 259.785 1.00 0.00 C +ATOM 77 CA SER A 77 231.708 282.894 260.441 1.00 0.00 C +ATOM 78 CA THR A 78 228.554 284.948 261.034 1.00 0.00 C +ATOM 79 CA ASN A 79 225.639 287.195 260.048 1.00 0.00 C +ATOM 80 CA GLY A 80 222.318 287.548 258.215 1.00 0.00 C +ATOM 81 CA SER A 81 218.698 287.580 257.027 1.00 0.00 C +ATOM 82 CA ASN A 82 217.752 285.560 253.938 1.00 0.00 C +ATOM 83 CA LEU A 83 215.427 284.198 251.245 1.00 0.00 C +ATOM 84 CA LYS A 84 214.937 281.838 248.295 1.00 0.00 C +ATOM 85 CA ASN A 85 216.710 283.384 245.298 1.00 0.00 C +ATOM 86 CA GLN A 86 220.152 284.791 246.130 1.00 0.00 C +ATOM 87 CA MET A 87 223.252 282.743 246.975 1.00 0.00 C +ATOM 88 CA ASP A 88 225.461 282.645 250.077 1.00 0.00 C +ATOM 89 CA ASP A 89 229.059 282.001 251.151 1.00 0.00 C +ATOM 90 CA ALA A 90 229.154 282.855 254.863 1.00 0.00 C +ATOM 91 CA LYS A 91 226.979 280.223 256.555 1.00 0.00 C +ATOM 92 CA GLN A 92 228.299 277.120 258.327 1.00 0.00 C +ATOM 93 CA GLY A 93 225.282 275.002 259.291 1.00 0.00 C +ATOM 94 CA ARG A 94 222.223 272.745 259.549 1.00 0.00 C +ATOM 95 CA ASP A 95 220.880 270.209 257.043 1.00 0.00 C +TER 96 ASP A 95 +END diff --git a/Fungi/A0A9P6IVK6/A0A9P6IVK6.dcd b/Fungi/A0A9P6IVK6/A0A9P6IVK6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..2202aeb2b9e333491bbbd7c49fcd8c4782f88b59 --- /dev/null +++ b/Fungi/A0A9P6IVK6/A0A9P6IVK6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4d6a0bcf1e9fd60bfcf8970bd70a8ac4616fdb094e40086281b8ea31a19b6910 +size 17000276 diff --git a/Fungi/A0A9P6IVK6/top.pdb b/Fungi/A0A9P6IVK6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5ab4e555e9934def8ef9032d7edfe1cf8addbdd2 --- /dev/null +++ b/Fungi/A0A9P6IVK6/top.pdb @@ -0,0 +1,139 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 189.775 217.649 312.293 1.00 0.00 C +ATOM 2 CA ASN A 2 188.791 221.255 311.555 1.00 0.00 C +ATOM 3 CA THR A 3 190.975 224.357 311.914 1.00 0.00 C +ATOM 4 CA SER A 4 193.869 226.833 311.837 1.00 0.00 C +ATOM 5 CA HIS A 5 197.102 226.459 309.855 1.00 0.00 C +ATOM 6 CA ASP A 6 199.949 223.928 309.809 1.00 0.00 C +ATOM 7 CA ILE A 7 200.198 220.971 307.419 1.00 0.00 C +ATOM 8 CA LYS A 8 200.514 220.292 303.684 1.00 0.00 C +ATOM 9 CA PRO A 9 203.664 219.925 301.573 1.00 0.00 C +ATOM 10 CA PRO A 10 206.001 222.883 301.020 1.00 0.00 C +ATOM 11 CA ASN A 11 208.719 225.348 302.046 1.00 0.00 C +ATOM 12 CA GLN A 12 210.502 227.044 299.137 1.00 0.00 C +ATOM 13 CA SER A 13 211.993 230.531 299.504 1.00 0.00 C +ATOM 14 CA ARG A 14 215.477 230.582 301.047 1.00 0.00 C +ATOM 15 CA THR A 15 219.284 230.458 300.971 1.00 0.00 C +ATOM 16 CA GLY A 16 221.548 231.422 298.062 1.00 0.00 C +ATOM 17 CA SER A 17 222.050 235.199 298.049 1.00 0.00 C +ATOM 18 CA GLN A 18 223.847 238.554 297.863 1.00 0.00 C +ATOM 19 CA HIS A 19 227.561 238.335 297.043 1.00 0.00 C +ATOM 20 CA GLN A 20 231.100 237.851 295.718 1.00 0.00 C +ATOM 21 CA GLN A 21 234.179 236.230 297.270 1.00 0.00 C +ATOM 22 CA ASP A 22 236.241 233.032 297.068 1.00 0.00 C +ATOM 23 CA GLN A 23 238.345 229.927 296.398 1.00 0.00 C +ATOM 24 CA GLN A 24 241.396 230.422 294.171 1.00 0.00 C +ATOM 25 CA LYS A 25 245.139 229.838 293.770 1.00 0.00 C +ATOM 26 CA GLN A 26 247.606 231.561 291.433 1.00 0.00 C +ATOM 27 CA ASP A 27 250.534 229.323 290.469 1.00 0.00 C +ATOM 28 CA GLN A 28 252.691 226.843 288.541 1.00 0.00 C +ATOM 29 CA PRO A 29 251.182 226.713 285.045 1.00 0.00 C +ATOM 30 CA SER A 30 247.651 225.288 284.916 1.00 0.00 C +ATOM 31 CA ASP A 31 246.287 225.694 281.381 1.00 0.00 C +ATOM 32 CA ARG A 32 247.969 224.801 278.081 1.00 0.00 C +ATOM 33 CA GLN A 33 247.006 227.389 275.455 1.00 0.00 C +ATOM 34 CA PRO A 34 248.318 227.351 271.878 1.00 0.00 C +ATOM 35 CA PRO A 35 251.151 225.061 270.764 1.00 0.00 C +ATOM 36 CA ALA A 36 250.603 221.973 268.600 1.00 0.00 C +ATOM 37 CA MET A 37 249.928 219.215 266.059 1.00 0.00 C +ATOM 38 CA VAL A 38 246.274 218.225 265.630 1.00 0.00 C +ATOM 39 CA HIS A 39 242.849 217.596 267.176 1.00 0.00 C +ATOM 40 CA SER A 40 241.506 214.067 266.669 1.00 0.00 C +ATOM 41 CA THR A 41 241.540 213.337 262.929 1.00 0.00 C +ATOM 42 CA HIS A 42 242.586 214.469 259.445 1.00 0.00 C +ATOM 43 CA SER A 43 246.011 213.093 258.500 1.00 0.00 C +ATOM 44 CA TYR A 44 245.345 210.103 256.235 1.00 0.00 C +ATOM 45 CA LEU A 45 247.941 207.804 254.656 1.00 0.00 C +ATOM 46 CA GLU A 46 251.280 207.903 252.824 1.00 0.00 C +ATOM 47 CA THR A 47 250.930 210.748 250.314 1.00 0.00 C +ATOM 48 CA PHE A 48 253.812 212.003 248.160 1.00 0.00 C +ATOM 49 CA ASP A 49 255.479 215.426 248.032 1.00 0.00 C +ATOM 50 CA GLN A 50 257.685 216.699 245.199 1.00 0.00 C +ATOM 51 CA ALA A 51 261.112 218.191 245.937 1.00 0.00 C +ATOM 52 CA THR A 52 264.799 219.022 245.455 1.00 0.00 C +ATOM 53 CA ARG A 53 267.811 217.070 244.177 1.00 0.00 C +ATOM 54 CA ASP A 54 270.642 217.292 241.636 1.00 0.00 C +ATOM 55 CA GLN A 55 271.415 216.954 237.921 1.00 0.00 C +ATOM 56 CA LEU A 56 270.147 218.256 234.572 1.00 0.00 C +ATOM 57 CA GLN A 57 268.864 221.610 233.298 1.00 0.00 C +ATOM 58 CA GLU A 58 267.256 225.029 232.806 1.00 0.00 C +ATOM 59 CA GLN A 59 265.147 225.686 229.702 1.00 0.00 C +ATOM 60 CA GLU A 60 265.461 227.935 226.642 1.00 0.00 C +ATOM 61 CA SER A 61 264.585 230.190 223.699 1.00 0.00 C +ATOM 62 CA LYS A 62 265.872 232.784 221.223 1.00 0.00 C +ATOM 63 CA ALA A 63 264.929 231.409 217.798 1.00 0.00 C +ATOM 64 CA SER A 64 264.698 231.307 213.996 1.00 0.00 C +ATOM 65 CA SER A 65 265.863 232.114 210.459 1.00 0.00 C +ATOM 66 CA LEU A 66 264.558 235.542 209.430 1.00 0.00 C +ATOM 67 CA LEU A 67 263.559 237.474 212.559 1.00 0.00 C +ATOM 68 CA ASP A 68 260.987 236.441 215.173 1.00 0.00 C +ATOM 69 CA GLN A 69 259.065 235.952 218.426 1.00 0.00 C +ATOM 70 CA ASP A 70 259.296 232.976 220.794 1.00 0.00 C +ATOM 71 CA HIS A 71 255.987 231.119 220.454 1.00 0.00 C +ATOM 72 CA PRO A 72 253.020 233.493 220.733 1.00 0.00 C +ATOM 73 CA LEU A 73 250.278 235.557 222.388 1.00 0.00 C +ATOM 74 CA ALA A 74 249.639 238.935 220.746 1.00 0.00 C +ATOM 75 CA ASN A 75 252.799 240.709 219.571 1.00 0.00 C +ATOM 76 CA LYS A 76 254.214 243.778 221.329 1.00 0.00 C +ATOM 77 CA GLN A 77 253.133 247.431 221.285 1.00 0.00 C +ATOM 78 CA SER A 78 256.279 249.368 220.353 1.00 0.00 C +ATOM 79 CA ALA A 79 257.955 252.374 218.720 1.00 0.00 C +ATOM 80 CA SER A 80 259.264 254.753 221.392 1.00 0.00 C +ATOM 81 CA ALA A 81 261.783 257.052 223.091 1.00 0.00 C +ATOM 82 CA VAL A 82 262.273 260.186 220.980 1.00 0.00 C +ATOM 83 CA ASP A 83 261.940 259.042 217.361 1.00 0.00 C +ATOM 84 CA SER A 84 263.610 258.810 213.945 1.00 0.00 C +ATOM 85 CA GLU A 85 267.218 259.892 214.519 1.00 0.00 C +ATOM 86 CA LEU A 86 269.683 259.639 217.414 1.00 0.00 C +ATOM 87 CA GLY A 87 271.439 260.464 220.692 1.00 0.00 C +ATOM 88 CA PHE A 88 269.548 262.456 223.333 1.00 0.00 C +ATOM 89 CA GLN A 89 268.290 264.209 226.473 1.00 0.00 C +ATOM 90 CA GLU A 90 270.286 264.682 229.685 1.00 0.00 C +ATOM 91 CA ALA A 91 269.057 264.269 233.267 1.00 0.00 C +ATOM 92 CA ASN A 92 268.460 262.434 236.553 1.00 0.00 C +ATOM 93 CA SER A 93 269.818 259.316 238.270 1.00 0.00 C +ATOM 94 CA GLY A 94 268.431 256.923 240.891 1.00 0.00 C +ATOM 95 CA VAL A 95 265.868 255.350 243.230 1.00 0.00 C +ATOM 96 CA GLN A 96 262.985 257.758 243.867 1.00 0.00 C +ATOM 97 CA LEU A 97 263.013 261.564 244.054 1.00 0.00 C +ATOM 98 CA ASP A 98 263.107 265.081 242.592 1.00 0.00 C +ATOM 99 CA ARG A 99 262.938 268.832 241.946 1.00 0.00 C +ATOM 100 CA ASP A 100 265.892 271.155 241.317 1.00 0.00 C +ATOM 101 CA VAL A 101 267.525 274.572 241.740 1.00 0.00 C +ATOM 102 CA GLN A 102 266.321 278.051 240.759 1.00 0.00 C +ATOM 103 CA ARG A 103 269.112 280.480 241.665 1.00 0.00 C +ATOM 104 CA SER A 104 268.735 283.721 239.698 1.00 0.00 C +ATOM 105 CA ARG A 105 268.534 284.639 236.005 1.00 0.00 C +ATOM 106 CA ARG A 106 271.062 284.944 233.171 1.00 0.00 C +ATOM 107 CA VAL A 107 270.830 287.762 230.617 1.00 0.00 C +ATOM 108 CA ALA A 108 269.782 291.366 231.273 1.00 0.00 C +ATOM 109 CA ASP A 109 267.619 291.317 234.410 1.00 0.00 C +ATOM 110 CA GLU A 110 268.161 290.806 238.146 1.00 0.00 C +ATOM 111 CA SER A 111 265.628 292.762 240.214 1.00 0.00 C +ATOM 112 CA LYS A 112 263.602 294.596 242.868 1.00 0.00 C +ATOM 113 CA GLN A 113 260.969 296.606 244.750 1.00 0.00 C +ATOM 114 CA LYS A 114 261.273 300.388 245.102 1.00 0.00 C +ATOM 115 CA ALA A 115 261.613 304.169 244.784 1.00 0.00 C +ATOM 116 CA SER A 116 258.360 306.108 245.204 1.00 0.00 C +ATOM 117 CA GLY A 117 257.364 309.074 243.030 1.00 0.00 C +ATOM 118 CA SER A 118 259.950 310.072 240.416 1.00 0.00 C +ATOM 119 CA GLY A 119 261.563 310.291 236.972 1.00 0.00 C +ATOM 120 CA ARG A 120 261.788 310.819 233.205 1.00 0.00 C +ATOM 121 CA GLU A 121 263.289 308.190 230.891 1.00 0.00 C +ATOM 122 CA GLY A 122 261.323 305.079 229.903 1.00 0.00 C +ATOM 123 CA SER A 123 259.534 302.090 228.360 1.00 0.00 C +ATOM 124 CA TRP A 124 256.457 303.394 226.530 1.00 0.00 C +ATOM 125 CA SER A 125 252.659 303.098 226.579 1.00 0.00 C +ATOM 126 CA GLY A 126 250.877 303.582 223.246 1.00 0.00 C +ATOM 127 CA ASN A 127 249.075 300.838 221.312 1.00 0.00 C +ATOM 128 CA GLN A 128 245.536 299.465 221.642 1.00 0.00 C +ATOM 129 CA GLY A 129 242.841 297.393 223.362 1.00 0.00 C +ATOM 130 CA LYS A 130 239.852 295.262 224.384 1.00 0.00 C +ATOM 131 CA LEU A 131 241.329 292.208 226.118 1.00 0.00 C +ATOM 132 CA PRO A 132 239.726 289.261 224.312 1.00 0.00 C +ATOM 133 CA TYR A 133 236.211 289.917 222.995 1.00 0.00 C +ATOM 134 CA VAL A 134 232.771 291.098 221.860 1.00 0.00 C +ATOM 135 CA GLU A 135 232.071 294.705 220.854 1.00 0.00 C +TER 136 GLU A 135 +END diff --git a/Fungi/A0A9P6KDJ8/A0A9P6KDJ8.dcd b/Fungi/A0A9P6KDJ8/A0A9P6KDJ8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c6976896d25cacb164d2070b5ffbd876b5a8f31d --- /dev/null +++ b/Fungi/A0A9P6KDJ8/A0A9P6KDJ8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:55a44abf52aec0f3e0e88479bf9f687a016a14fd90d3903a898be25e09d6e911 +size 11000276 diff --git a/Fungi/A0A9P6KDJ8/top.pdb b/Fungi/A0A9P6KDJ8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5cd527d27cfc2d79b6b08c24a0beee77b6cf2657 --- /dev/null +++ b/Fungi/A0A9P6KDJ8/top.pdb @@ -0,0 +1,89 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 244.071 229.619 248.445 1.00 0.00 C +ATOM 2 CA LEU A 2 246.028 232.511 246.921 1.00 0.00 C +ATOM 3 CA ASP A 3 246.504 235.213 244.278 1.00 0.00 C +ATOM 4 CA TYR A 4 245.265 234.558 240.735 1.00 0.00 C +ATOM 5 CA THR A 5 243.452 235.256 237.458 1.00 0.00 C +ATOM 6 CA THR A 6 241.442 235.939 234.294 1.00 0.00 C +ATOM 7 CA GLU A 7 239.213 236.873 231.348 1.00 0.00 C +ATOM 8 CA GLN A 8 240.591 237.630 227.878 1.00 0.00 C +ATOM 9 CA GLN A 9 238.999 235.619 225.061 1.00 0.00 C +ATOM 10 CA PRO A 10 238.904 234.686 221.368 1.00 0.00 C +ATOM 11 CA PRO A 11 241.075 236.687 218.961 1.00 0.00 C +ATOM 12 CA GLN A 12 243.162 238.309 216.216 1.00 0.00 C +ATOM 13 CA SER A 13 245.540 241.277 216.441 1.00 0.00 C +ATOM 14 CA GLN A 14 246.760 244.887 216.433 1.00 0.00 C +ATOM 15 CA GLY A 15 249.877 245.981 214.534 1.00 0.00 C +ATOM 16 CA TYR A 16 253.626 245.509 215.017 1.00 0.00 C +ATOM 17 CA ASP A 17 254.584 242.528 217.188 1.00 0.00 C +ATOM 18 CA SER A 18 253.036 239.104 216.559 1.00 0.00 C +ATOM 19 CA LEU A 19 253.773 237.015 219.658 1.00 0.00 C +ATOM 20 CA TYR A 20 256.331 237.955 222.321 1.00 0.00 C +ATOM 21 CA SER A 21 255.659 239.447 225.761 1.00 0.00 C +ATOM 22 CA HIS A 22 253.298 237.391 227.932 1.00 0.00 C +ATOM 23 CA HIS A 23 251.005 237.532 230.971 1.00 0.00 C +ATOM 24 CA SER A 24 248.981 234.319 231.279 1.00 0.00 C +ATOM 25 CA THR A 25 249.835 232.618 234.579 1.00 0.00 C +ATOM 26 CA PRO A 26 250.973 229.564 236.552 1.00 0.00 C +ATOM 27 CA PRO A 27 252.790 227.317 239.035 1.00 0.00 C +ATOM 28 CA THR A 28 253.507 223.946 237.410 1.00 0.00 C +ATOM 29 CA SER A 29 254.313 221.125 239.842 1.00 0.00 C +ATOM 30 CA THR A 30 254.705 222.821 243.231 1.00 0.00 C +ATOM 31 CA SER A 31 255.738 224.938 246.226 1.00 0.00 C +ATOM 32 CA SER A 32 257.083 225.265 249.776 1.00 0.00 C +ATOM 33 CA HIS A 33 256.592 223.417 253.071 1.00 0.00 C +ATOM 34 CA TYR A 34 259.824 222.953 255.034 1.00 0.00 C +ATOM 35 CA ALA A 35 260.821 225.279 257.882 1.00 0.00 C +ATOM 36 CA PRO A 36 261.426 228.733 256.392 1.00 0.00 C +ATOM 37 CA ALA A 37 261.247 231.863 254.227 1.00 0.00 C +ATOM 38 CA ALA A 38 258.326 234.208 253.528 1.00 0.00 C +ATOM 39 CA GLY A 39 257.135 236.745 250.948 1.00 0.00 C +ATOM 40 CA ALA A 40 255.303 237.470 247.686 1.00 0.00 C +ATOM 41 CA TYR A 41 251.600 237.685 246.815 1.00 0.00 C +ATOM 42 CA LEU A 42 248.673 238.739 249.015 1.00 0.00 C +ATOM 43 CA PRO A 43 247.748 242.067 250.623 1.00 0.00 C +ATOM 44 CA PRO A 44 246.232 245.548 250.314 1.00 0.00 C +ATOM 45 CA PRO A 45 245.574 249.203 249.462 1.00 0.00 C +ATOM 46 CA ILE A 46 242.401 250.512 251.116 1.00 0.00 C +ATOM 47 CA GLN A 47 241.505 253.890 249.600 1.00 0.00 C +ATOM 48 CA THR A 48 238.116 255.584 250.004 1.00 0.00 C +ATOM 49 CA LEU A 49 236.469 258.733 251.379 1.00 0.00 C +ATOM 50 CA PRO A 50 235.612 262.007 253.128 1.00 0.00 C +ATOM 51 CA PRO A 51 237.313 262.927 256.411 1.00 0.00 C +ATOM 52 CA GLY A 52 240.323 261.551 258.298 1.00 0.00 C +ATOM 53 CA ASN A 53 243.233 263.845 259.184 1.00 0.00 C +ATOM 54 CA GLY A 54 244.980 265.660 256.326 1.00 0.00 C +ATOM 55 CA ALA A 55 245.281 269.307 255.265 1.00 0.00 C +ATOM 56 CA SER A 56 244.553 273.040 255.027 1.00 0.00 C +ATOM 57 CA ALA A 57 246.945 275.910 254.281 1.00 0.00 C +ATOM 58 CA PRO A 58 250.284 277.725 254.008 1.00 0.00 C +ATOM 59 CA GLY A 59 253.039 275.397 252.782 1.00 0.00 C +ATOM 60 CA ALA A 60 253.222 271.826 254.096 1.00 0.00 C +ATOM 61 CA VAL A 61 255.261 270.354 256.959 1.00 0.00 C +ATOM 62 CA HIS A 62 255.887 267.228 259.044 1.00 0.00 C +ATOM 63 CA PRO A 63 253.457 265.283 261.242 1.00 0.00 C +ATOM 64 CA HIS A 64 250.908 267.795 262.549 1.00 0.00 C +ATOM 65 CA GLY A 65 249.487 270.768 260.638 1.00 0.00 C +ATOM 66 CA THR A 66 248.775 274.206 262.119 1.00 0.00 C +ATOM 67 CA ALA A 67 247.150 276.667 264.531 1.00 0.00 C +ATOM 68 CA GLY A 68 245.094 277.050 267.716 1.00 0.00 C +ATOM 69 CA VAL A 69 246.160 277.645 271.325 1.00 0.00 C +ATOM 70 CA VAL A 70 249.063 275.392 272.332 1.00 0.00 C +ATOM 71 CA HIS A 71 252.274 274.631 270.428 1.00 0.00 C +ATOM 72 CA SER A 72 255.399 273.020 268.961 1.00 0.00 C +ATOM 73 CA SER A 73 257.386 271.682 271.924 1.00 0.00 C +ATOM 74 CA PHE A 74 258.236 272.548 275.535 1.00 0.00 C +ATOM 75 CA ALA A 75 260.044 271.112 278.565 1.00 0.00 C +ATOM 76 CA SER A 76 260.433 267.839 280.476 1.00 0.00 C +ATOM 77 CA PRO A 77 262.204 264.496 280.017 1.00 0.00 C +ATOM 78 CA THR A 78 261.045 261.456 278.035 1.00 0.00 C +ATOM 79 CA SER A 79 260.200 258.545 275.726 1.00 0.00 C +ATOM 80 CA PRO A 80 256.532 257.869 274.952 1.00 0.00 C +ATOM 81 CA LEU A 81 253.440 258.711 277.014 1.00 0.00 C +ATOM 82 CA PRO A 82 250.025 258.995 278.679 1.00 0.00 C +ATOM 83 CA SER A 83 247.634 261.949 278.412 1.00 0.00 C +ATOM 84 CA GLY A 84 246.319 265.015 280.253 1.00 0.00 C +ATOM 85 CA ALA A 85 243.689 264.480 282.957 1.00 0.00 C +TER 86 ALA A 85 +END diff --git a/Fungi/A0A9P6KPS4/A0A9P6KPS4.dcd b/Fungi/A0A9P6KPS4/A0A9P6KPS4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a4ad7c4cd93ff84795917123da5eba60d39d8e79 --- /dev/null +++ b/Fungi/A0A9P6KPS4/A0A9P6KPS4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b465220a182a17ef388fb7f2ced2c203cba3ab74afc8edd5906a0a6ceb5044e8 +size 12440276 diff --git a/Fungi/A0A9P6KPS4/top.pdb b/Fungi/A0A9P6KPS4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..61cb1d4e035a8caad6730a71b59ec02fda0bfc21 --- /dev/null +++ b/Fungi/A0A9P6KPS4/top.pdb @@ -0,0 +1,101 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 235.536 245.644 270.440 1.00 0.00 C +ATOM 2 CA SER A 2 232.067 246.320 269.018 1.00 0.00 C +ATOM 3 CA SER A 3 230.252 249.553 269.893 1.00 0.00 C +ATOM 4 CA SER A 4 231.080 252.105 267.188 1.00 0.00 C +ATOM 5 CA LEU A 5 230.887 255.765 266.149 1.00 0.00 C +ATOM 6 CA TYR A 6 233.829 257.700 264.693 1.00 0.00 C +ATOM 7 CA SER A 7 237.371 258.824 263.851 1.00 0.00 C +ATOM 8 CA TYR A 8 239.645 257.888 260.941 1.00 0.00 C +ATOM 9 CA GLY A 9 239.942 255.012 258.460 1.00 0.00 C +ATOM 10 CA SER A 10 240.983 253.645 255.059 1.00 0.00 C +ATOM 11 CA SER A 11 243.566 252.805 252.387 1.00 0.00 C +ATOM 12 CA TYR A 12 246.349 250.584 251.032 1.00 0.00 C +ATOM 13 CA SER A 13 248.962 248.275 252.568 1.00 0.00 C +ATOM 14 CA GLN A 14 249.569 246.579 255.925 1.00 0.00 C +ATOM 15 CA ASP A 15 250.686 246.024 259.525 1.00 0.00 C +ATOM 16 CA LYS A 16 249.679 248.983 261.703 1.00 0.00 C +ATOM 17 CA SER A 17 245.944 249.734 261.736 1.00 0.00 C +ATOM 18 CA LYS A 18 245.570 252.887 263.842 1.00 0.00 C +ATOM 19 CA SER A 19 245.599 256.460 265.164 1.00 0.00 C +ATOM 20 CA TYR A 20 248.273 257.342 267.730 1.00 0.00 C +ATOM 21 CA ALA A 21 249.447 254.274 269.660 1.00 0.00 C +ATOM 22 CA PRO A 22 247.536 251.552 271.519 1.00 0.00 C +ATOM 23 CA ARG A 23 249.983 250.347 274.179 1.00 0.00 C +ATOM 24 CA SER A 24 252.405 247.412 274.013 1.00 0.00 C +ATOM 25 CA THR A 25 251.978 244.171 275.971 1.00 0.00 C +ATOM 26 CA ASN A 26 249.128 244.362 278.492 1.00 0.00 C +ATOM 27 CA SER A 27 245.527 243.645 279.509 1.00 0.00 C +ATOM 28 CA SER A 28 241.755 243.534 278.983 1.00 0.00 C +ATOM 29 CA GLU A 29 239.470 243.366 275.939 1.00 0.00 C +ATOM 30 CA SER A 30 236.589 241.229 274.654 1.00 0.00 C +ATOM 31 CA PRO A 31 234.200 239.778 272.064 1.00 0.00 C +ATOM 32 CA SER A 32 231.660 237.252 273.360 1.00 0.00 C +ATOM 33 CA THR A 33 233.061 233.724 273.027 1.00 0.00 C +ATOM 34 CA VAL A 34 236.498 234.174 271.446 1.00 0.00 C +ATOM 35 CA ARG A 35 237.926 234.190 267.913 1.00 0.00 C +ATOM 36 CA THR A 36 238.919 235.689 264.555 1.00 0.00 C +ATOM 37 CA ALA A 37 237.779 239.124 263.361 1.00 0.00 C +ATOM 38 CA HIS A 38 237.914 242.771 262.268 1.00 0.00 C +ATOM 39 CA SER A 39 238.491 246.514 261.851 1.00 0.00 C +ATOM 40 CA LEU A 40 238.999 249.026 259.032 1.00 0.00 C +ATOM 41 CA THR A 41 239.142 246.892 255.879 1.00 0.00 C +ATOM 42 CA THR A 42 238.490 244.018 253.464 1.00 0.00 C +ATOM 43 CA SER A 43 237.230 243.970 249.869 1.00 0.00 C +ATOM 44 CA ALA A 44 235.201 245.296 246.929 1.00 0.00 C +ATOM 45 CA SER A 45 236.151 248.846 245.925 1.00 0.00 C +ATOM 46 CA SER A 46 237.839 250.646 243.022 1.00 0.00 C +ATOM 47 CA PRO A 47 236.391 252.580 240.077 1.00 0.00 C +ATOM 48 CA THR A 48 235.852 253.719 236.481 1.00 0.00 C +ATOM 49 CA SER A 49 236.321 251.799 233.225 1.00 0.00 C +ATOM 50 CA SER A 50 238.441 253.019 230.303 1.00 0.00 C +ATOM 51 CA SER A 51 241.535 253.144 228.084 1.00 0.00 C +ATOM 52 CA SER A 52 242.683 254.241 224.620 1.00 0.00 C +ATOM 53 CA LEU A 53 243.463 251.841 221.766 1.00 0.00 C +ATOM 54 CA TYR A 54 242.801 248.094 221.951 1.00 0.00 C +ATOM 55 CA ALA A 55 243.441 246.243 218.683 1.00 0.00 C +ATOM 56 CA HIS A 56 245.309 244.175 216.085 1.00 0.00 C +ATOM 57 CA ARG A 57 249.105 244.494 215.990 1.00 0.00 C +ATOM 58 CA GLY A 58 250.425 242.936 219.207 1.00 0.00 C +ATOM 59 CA HIS A 59 250.703 244.443 222.695 1.00 0.00 C +ATOM 60 CA SER A 60 251.624 247.828 224.181 1.00 0.00 C +ATOM 61 CA THR A 61 254.882 249.067 225.719 1.00 0.00 C +ATOM 62 CA ARG A 62 257.716 251.526 225.055 1.00 0.00 C +ATOM 63 CA ASN A 63 261.213 250.079 224.610 1.00 0.00 C +ATOM 64 CA ASN A 64 263.729 249.786 227.456 1.00 0.00 C +ATOM 65 CA ARG A 65 265.835 252.846 228.306 1.00 0.00 C +ATOM 66 CA TYR A 66 267.823 255.943 227.322 1.00 0.00 C +ATOM 67 CA GLY A 67 269.042 258.420 229.948 1.00 0.00 C +ATOM 68 CA SER A 68 267.450 258.946 233.369 1.00 0.00 C +ATOM 69 CA LYS A 69 266.009 256.999 236.309 1.00 0.00 C +ATOM 70 CA PRO A 70 267.364 257.899 239.755 1.00 0.00 C +ATOM 71 CA SER A 71 265.895 260.708 241.869 1.00 0.00 C +ATOM 72 CA GLY A 72 265.513 263.934 239.879 1.00 0.00 C +ATOM 73 CA THR A 73 266.052 264.865 236.223 1.00 0.00 C +ATOM 74 CA VAL A 74 263.881 264.402 233.127 1.00 0.00 C +ATOM 75 CA ILE A 75 261.721 264.463 229.989 1.00 0.00 C +ATOM 76 CA HIS A 76 258.031 264.041 230.836 1.00 0.00 C +ATOM 77 CA ASN A 77 256.035 264.110 234.080 1.00 0.00 C +ATOM 78 CA ASP A 78 257.820 262.905 237.224 1.00 0.00 C +ATOM 79 CA GLY A 79 257.175 259.775 239.297 1.00 0.00 C +ATOM 80 CA GLY A 80 259.193 256.883 240.740 1.00 0.00 C +ATOM 81 CA GLN A 81 258.218 253.693 242.581 1.00 0.00 C +ATOM 82 CA SER A 82 259.793 252.201 245.713 1.00 0.00 C +ATOM 83 CA SER A 83 260.933 252.540 249.333 1.00 0.00 C +ATOM 84 CA GLY A 84 264.685 252.557 249.995 1.00 0.00 C +ATOM 85 CA PRO A 85 266.488 255.805 250.842 1.00 0.00 C +ATOM 86 CA ASN A 86 268.948 256.702 253.609 1.00 0.00 C +ATOM 87 CA SER A 87 270.460 254.055 255.895 1.00 0.00 C +ATOM 88 CA THR A 88 271.568 250.873 254.117 1.00 0.00 C +ATOM 89 CA SER A 89 272.497 247.350 253.003 1.00 0.00 C +ATOM 90 CA ALA A 90 270.258 244.653 254.496 1.00 0.00 C +ATOM 91 CA GLY A 91 267.212 245.679 256.540 1.00 0.00 C +ATOM 92 CA ASN A 92 263.696 244.723 255.425 1.00 0.00 C +ATOM 93 CA SER A 93 260.583 244.380 253.256 1.00 0.00 C +ATOM 94 CA GLY A 94 259.935 240.634 253.012 1.00 0.00 C +ATOM 95 CA TYR A 95 262.851 238.182 253.030 1.00 0.00 C +ATOM 96 CA TYR A 96 266.068 239.776 251.754 1.00 0.00 C +ATOM 97 CA GLN A 97 266.222 242.112 248.748 1.00 0.00 C +TER 98 GLN A 97 +END diff --git a/Fungi/A0A9P6M1I2/A0A9P6M1I2.dcd b/Fungi/A0A9P6M1I2/A0A9P6M1I2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e593ce9e3626d8565a201980ccf7b3661644255e --- /dev/null +++ b/Fungi/A0A9P6M1I2/A0A9P6M1I2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c7410b6cf1c2442ee45664651f40ab5c3311dfe594de1d01139126b0f9401546 +size 8480276 diff --git a/Fungi/A0A9P6M1I2/top.pdb b/Fungi/A0A9P6M1I2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7330928f8e94d0e42090c831d3b8c6165a0cdb83 --- /dev/null +++ b/Fungi/A0A9P6M1I2/top.pdb @@ -0,0 +1,68 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 251.856 209.775 271.131 1.00 0.00 C +ATOM 2 CA LEU A 2 249.216 207.902 269.121 1.00 0.00 C +ATOM 3 CA PHE A 3 246.278 209.737 267.534 1.00 0.00 C +ATOM 4 CA ASN A 4 245.307 211.877 264.535 1.00 0.00 C +ATOM 5 CA THR A 5 247.063 211.229 261.216 1.00 0.00 C +ATOM 6 CA ILE A 6 249.135 214.073 259.756 1.00 0.00 C +ATOM 7 CA PRO A 7 249.178 217.466 258.023 1.00 0.00 C +ATOM 8 CA ASN A 8 248.070 219.125 254.777 1.00 0.00 C +ATOM 9 CA ASP A 9 245.515 221.091 252.747 1.00 0.00 C +ATOM 10 CA THR A 10 242.352 222.811 251.499 1.00 0.00 C +ATOM 11 CA LEU A 11 241.730 225.820 253.751 1.00 0.00 C +ATOM 12 CA GLY A 12 239.016 228.233 252.598 1.00 0.00 C +ATOM 13 CA PHE A 13 239.093 231.963 253.371 1.00 0.00 C +ATOM 14 CA GLY A 14 238.351 234.224 250.395 1.00 0.00 C +ATOM 15 CA ARG A 15 236.185 232.508 247.773 1.00 0.00 C +ATOM 16 CA ILE A 16 233.040 233.554 245.892 1.00 0.00 C +ATOM 17 CA ASP A 17 230.786 231.413 243.690 1.00 0.00 C +ATOM 18 CA VAL A 18 231.504 232.040 240.001 1.00 0.00 C +ATOM 19 CA SER A 19 235.114 231.701 238.832 1.00 0.00 C +ATOM 20 CA GLY A 20 238.716 232.749 238.165 1.00 0.00 C +ATOM 21 CA GLY A 21 240.490 232.976 241.529 1.00 0.00 C +ATOM 22 CA ASN A 22 244.087 233.998 240.799 1.00 0.00 C +ATOM 23 CA GLY A 23 246.822 236.601 240.292 1.00 0.00 C +ATOM 24 CA GLN A 24 248.742 239.306 238.418 1.00 0.00 C +ATOM 25 CA GLN A 25 250.050 242.621 239.765 1.00 0.00 C +ATOM 26 CA ARG A 26 253.691 243.700 239.460 1.00 0.00 C +ATOM 27 CA ASP A 27 253.719 247.465 240.044 1.00 0.00 C +ATOM 28 CA HIS A 28 255.767 249.398 242.610 1.00 0.00 C +ATOM 29 CA HIS A 29 256.702 251.075 245.900 1.00 0.00 C +ATOM 30 CA GLN A 30 259.854 251.576 247.982 1.00 0.00 C +ATOM 31 CA LEU A 31 261.541 249.358 250.580 1.00 0.00 C +ATOM 32 CA HIS A 32 263.759 246.268 250.367 1.00 0.00 C +ATOM 33 CA LEU A 33 266.027 246.551 253.415 1.00 0.00 C +ATOM 34 CA GLY A 34 265.489 249.524 255.736 1.00 0.00 C +ATOM 35 CA THR A 35 266.569 252.783 254.084 1.00 0.00 C +ATOM 36 CA TRP A 36 268.609 255.459 255.871 1.00 0.00 C +ATOM 37 CA ASN A 37 266.451 258.592 255.667 1.00 0.00 C +ATOM 38 CA LYS A 38 265.931 261.427 258.159 1.00 0.00 C +ATOM 39 CA ASP A 39 263.117 263.360 259.851 1.00 0.00 C +ATOM 40 CA ASP A 40 259.334 263.795 259.953 1.00 0.00 C +ATOM 41 CA ASP A 41 256.985 265.351 257.388 1.00 0.00 C +ATOM 42 CA GLY A 42 257.457 263.790 253.944 1.00 0.00 C +ATOM 43 CA ASP A 43 259.054 262.020 250.972 1.00 0.00 C +ATOM 44 CA ASP A 44 259.001 258.882 248.813 1.00 0.00 C +ATOM 45 CA ARG A 45 257.362 257.505 245.661 1.00 0.00 C +ATOM 46 CA GLY A 46 253.670 258.291 245.147 1.00 0.00 C +ATOM 47 CA MET A 47 252.940 261.123 247.589 1.00 0.00 C +ATOM 48 CA SER A 48 251.852 264.374 249.251 1.00 0.00 C +ATOM 49 CA GLY A 49 254.462 267.075 248.614 1.00 0.00 C +ATOM 50 CA GLU A 50 255.357 269.269 245.630 1.00 0.00 C +ATOM 51 CA SER A 51 256.388 271.525 242.738 1.00 0.00 C +ATOM 52 CA GLU A 52 255.796 272.552 239.118 1.00 0.00 C +ATOM 53 CA GLN A 53 253.082 275.159 238.519 1.00 0.00 C +ATOM 54 CA ASP A 54 250.177 275.733 240.916 1.00 0.00 C +ATOM 55 CA GLU A 55 247.026 277.613 241.944 1.00 0.00 C +ATOM 56 CA GLY A 56 245.159 280.840 242.727 1.00 0.00 C +ATOM 57 CA ILE A 57 246.304 282.408 246.006 1.00 0.00 C +ATOM 58 CA ASP A 58 246.104 286.095 246.946 1.00 0.00 C +ATOM 59 CA GLN A 59 245.836 289.091 249.284 1.00 0.00 C +ATOM 60 CA ARG A 60 244.309 289.457 252.756 1.00 0.00 C +ATOM 61 CA SER A 61 242.658 287.558 255.616 1.00 0.00 C +ATOM 62 CA VAL A 62 241.408 284.289 254.108 1.00 0.00 C +ATOM 63 CA SER A 63 238.125 282.364 254.273 1.00 0.00 C +ATOM 64 CA GLY A 64 235.233 282.510 256.749 1.00 0.00 C +TER 65 GLY A 64 +END diff --git a/Fungi/A0A9P6MXY7/A0A9P6MXY7.dcd b/Fungi/A0A9P6MXY7/A0A9P6MXY7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..cb2d6bd1d4c094a2e7e50159cafe570eff0e5346 --- /dev/null +++ b/Fungi/A0A9P6MXY7/A0A9P6MXY7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3ea1a70519fefdf896410271cd77866dd4dab1e2b43b3d3cf4736b4acb4b1255 +size 23600276 diff --git a/Fungi/A0A9P6MXY7/top.pdb b/Fungi/A0A9P6MXY7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8d6ea4b4bff9711fe750c6e3117ef47e40423b31 --- /dev/null +++ b/Fungi/A0A9P6MXY7/top.pdb @@ -0,0 +1,194 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 243.658 217.515 248.609 1.00 0.00 C +ATOM 2 CA VAL A 2 243.432 218.244 252.342 1.00 0.00 C +ATOM 3 CA ASN A 3 244.534 218.841 255.940 1.00 0.00 C +ATOM 4 CA VAL A 4 244.499 222.122 257.875 1.00 0.00 C +ATOM 5 CA GLU A 5 246.281 221.538 261.192 1.00 0.00 C +ATOM 6 CA LYS A 6 249.608 222.890 262.464 1.00 0.00 C +ATOM 7 CA ILE A 7 251.244 224.425 259.384 1.00 0.00 C +ATOM 8 CA LEU A 8 251.305 226.228 256.029 1.00 0.00 C +ATOM 9 CA SER A 9 251.559 223.643 253.241 1.00 0.00 C +ATOM 10 CA GLY A 10 251.990 219.905 253.839 1.00 0.00 C +ATOM 11 CA GLY A 11 249.940 216.842 252.876 1.00 0.00 C +ATOM 12 CA ASP A 12 251.281 213.397 253.799 1.00 0.00 C +ATOM 13 CA ASP A 13 253.534 212.473 250.868 1.00 0.00 C +ATOM 14 CA GLU A 14 254.323 212.984 247.176 1.00 0.00 C +ATOM 15 CA ASP A 15 252.649 211.815 243.960 1.00 0.00 C +ATOM 16 CA GLU A 16 252.908 211.701 240.160 1.00 0.00 C +ATOM 17 CA ASP A 17 255.468 209.085 239.104 1.00 0.00 C +ATOM 18 CA GLU A 18 254.322 205.686 240.389 1.00 0.00 C +ATOM 19 CA ALA A 19 251.029 204.707 238.744 1.00 0.00 C +ATOM 20 CA GLU A 20 250.265 202.364 235.838 1.00 0.00 C +ATOM 21 CA SER A 21 251.450 198.983 234.540 1.00 0.00 C +ATOM 22 CA ASP A 22 248.907 197.452 232.152 1.00 0.00 C +ATOM 23 CA SER A 23 245.977 199.849 231.717 1.00 0.00 C +ATOM 24 CA ASN A 24 242.319 199.455 232.709 1.00 0.00 C +ATOM 25 CA ASP A 25 239.095 200.552 234.417 1.00 0.00 C +ATOM 26 CA ASP A 26 237.253 199.124 237.431 1.00 0.00 C +ATOM 27 CA HIS A 27 238.434 196.835 240.239 1.00 0.00 C +ATOM 28 CA GLU A 28 239.373 193.720 242.221 1.00 0.00 C +ATOM 29 CA GLY A 29 242.856 192.275 242.762 1.00 0.00 C +ATOM 30 CA ASP A 30 243.494 191.761 246.483 1.00 0.00 C +ATOM 31 CA THR A 31 246.124 189.117 247.264 1.00 0.00 C +ATOM 32 CA ILE A 32 246.203 185.316 247.018 1.00 0.00 C +ATOM 33 CA GLU A 33 244.663 182.301 248.765 1.00 0.00 C +ATOM 34 CA ALA A 34 246.169 180.532 251.785 1.00 0.00 C +ATOM 35 CA ASP A 35 243.707 178.233 253.565 1.00 0.00 C +ATOM 36 CA LEU A 36 241.286 179.194 256.345 1.00 0.00 C +ATOM 37 CA ASP A 37 241.898 177.032 259.422 1.00 0.00 C +ATOM 38 CA ARG A 38 241.480 175.449 262.862 1.00 0.00 C +ATOM 39 CA ASN A 39 238.590 175.672 265.336 1.00 0.00 C +ATOM 40 CA HIS A 40 235.432 175.638 267.467 1.00 0.00 C +ATOM 41 CA MET A 41 233.275 178.652 266.584 1.00 0.00 C +ATOM 42 CA GLY A 42 231.517 179.614 269.824 1.00 0.00 C +ATOM 43 CA VAL A 43 231.373 180.229 273.581 1.00 0.00 C +ATOM 44 CA ASN A 44 230.659 183.705 274.967 1.00 0.00 C +ATOM 45 CA LEU A 45 233.100 186.630 274.932 1.00 0.00 C +ATOM 46 CA ASP A 46 232.036 189.224 272.353 1.00 0.00 C +ATOM 47 CA GLU A 47 232.692 192.904 273.092 1.00 0.00 C +ATOM 48 CA ASP A 48 233.344 196.376 271.666 1.00 0.00 C +ATOM 49 CA ASP A 49 235.815 195.893 268.808 1.00 0.00 C +ATOM 50 CA VAL A 50 236.892 197.670 265.614 1.00 0.00 C +ATOM 51 CA LEU A 51 239.489 200.440 265.310 1.00 0.00 C +ATOM 52 CA THR A 52 240.110 203.081 267.985 1.00 0.00 C +ATOM 53 CA GLY A 53 237.018 203.522 270.167 1.00 0.00 C +ATOM 54 CA ASP A 54 233.515 204.894 270.771 1.00 0.00 C +ATOM 55 CA ASP A 55 233.267 208.696 270.752 1.00 0.00 C +ATOM 56 CA GLU A 56 234.918 210.454 273.701 1.00 0.00 C +ATOM 57 CA ARG A 57 236.658 209.753 277.017 1.00 0.00 C +ATOM 58 CA ASP A 58 238.318 209.516 280.438 1.00 0.00 C +ATOM 59 CA LEU A 59 238.811 213.102 281.628 1.00 0.00 C +ATOM 60 CA ASP A 60 241.652 213.248 284.163 1.00 0.00 C +ATOM 61 CA GLU A 61 244.908 211.338 283.649 1.00 0.00 C +ATOM 62 CA ASP A 62 248.363 212.685 284.526 1.00 0.00 C +ATOM 63 CA TYR A 63 249.528 214.839 281.608 1.00 0.00 C +ATOM 64 CA LEU A 64 251.852 212.632 279.547 1.00 0.00 C +ATOM 65 CA GLN A 65 253.160 214.937 276.810 1.00 0.00 C +ATOM 66 CA GLN A 66 250.232 216.731 275.161 1.00 0.00 C +ATOM 67 CA GLN A 67 251.082 218.993 272.215 1.00 0.00 C +ATOM 68 CA GLN A 68 253.594 221.845 271.947 1.00 0.00 C +ATOM 69 CA ASN A 69 257.392 222.135 272.036 1.00 0.00 C +ATOM 70 CA GLN A 70 260.741 222.304 273.845 1.00 0.00 C +ATOM 71 CA LEU A 71 260.749 220.628 277.266 1.00 0.00 C +ATOM 72 CA GLN A 72 263.957 218.693 277.960 1.00 0.00 C +ATOM 73 CA GLN A 73 263.496 216.884 281.281 1.00 0.00 C +ATOM 74 CA VAL A 74 260.457 216.961 283.577 1.00 0.00 C +ATOM 75 CA GLN A 75 257.205 218.331 282.140 1.00 0.00 C +ATOM 76 CA GLN A 76 255.515 221.330 283.772 1.00 0.00 C +ATOM 77 CA GLN A 77 255.272 224.586 281.809 1.00 0.00 C +ATOM 78 CA LEU A 78 257.608 227.349 280.614 1.00 0.00 C +ATOM 79 CA ASN A 79 259.395 229.871 282.841 1.00 0.00 C +ATOM 80 CA SER A 80 259.636 233.529 281.803 1.00 0.00 C +ATOM 81 CA ASP A 81 259.529 236.112 284.602 1.00 0.00 C +ATOM 82 CA THR A 82 260.274 235.092 288.196 1.00 0.00 C +ATOM 83 CA PRO A 83 263.991 235.341 288.994 1.00 0.00 C +ATOM 84 CA GLN A 84 266.851 237.719 289.820 1.00 0.00 C +ATOM 85 CA ARG A 85 268.319 241.234 289.895 1.00 0.00 C +ATOM 86 CA THR A 86 271.512 243.247 290.415 1.00 0.00 C +ATOM 87 CA GLU A 87 273.624 246.156 291.677 1.00 0.00 C +ATOM 88 CA GLY A 88 274.309 248.632 288.864 1.00 0.00 C +ATOM 89 CA SER A 89 275.612 251.904 287.410 1.00 0.00 C +ATOM 90 CA LEU A 90 277.414 252.445 284.097 1.00 0.00 C +ATOM 91 CA MET A 91 278.377 255.765 282.496 1.00 0.00 C +ATOM 92 CA ASP A 92 280.290 258.413 280.536 1.00 0.00 C +ATOM 93 CA ARG A 93 282.285 260.509 278.057 1.00 0.00 C +ATOM 94 CA LEU A 94 280.668 263.872 277.290 1.00 0.00 C +ATOM 95 CA LEU A 95 278.073 264.326 274.538 1.00 0.00 C +ATOM 96 CA GLU A 96 279.850 265.126 271.264 1.00 0.00 C +ATOM 97 CA LEU A 97 278.924 268.163 269.157 1.00 0.00 C +ATOM 98 CA GLY A 98 282.032 270.283 268.552 1.00 0.00 C +ATOM 99 CA GLN A 99 283.801 273.650 268.776 1.00 0.00 C +ATOM 100 CA ARG A 100 281.867 276.705 269.976 1.00 0.00 C +ATOM 101 CA HIS A 101 281.310 278.678 273.188 1.00 0.00 C +ATOM 102 CA ALA A 102 280.395 278.455 276.880 1.00 0.00 C +ATOM 103 CA GLN A 103 282.089 275.913 279.156 1.00 0.00 C +ATOM 104 CA THR A 104 285.653 277.185 279.592 1.00 0.00 C +ATOM 105 CA PRO A 105 287.378 280.556 280.016 1.00 0.00 C +ATOM 106 CA SER A 106 286.433 284.183 279.334 1.00 0.00 C +ATOM 107 CA ARG A 107 284.144 284.242 276.289 1.00 0.00 C +ATOM 108 CA PRO A 108 282.255 287.551 276.324 1.00 0.00 C +ATOM 109 CA ASN A 109 278.905 288.070 274.586 1.00 0.00 C +ATOM 110 CA ARG A 110 275.441 287.190 273.267 1.00 0.00 C +ATOM 111 CA THR A 111 272.639 289.058 275.049 1.00 0.00 C +ATOM 112 CA SER A 112 274.156 292.370 276.165 1.00 0.00 C +ATOM 113 CA ASN A 113 271.361 294.673 277.348 1.00 0.00 C +ATOM 114 CA ASP A 114 268.256 296.882 277.351 1.00 0.00 C +ATOM 115 CA GLN A 115 268.143 299.306 274.414 1.00 0.00 C +ATOM 116 CA PRO A 116 270.140 298.191 271.367 1.00 0.00 C +ATOM 117 CA PRO A 117 271.721 295.383 269.334 1.00 0.00 C +ATOM 118 CA PRO A 118 270.227 294.614 265.915 1.00 0.00 C +ATOM 119 CA ARG A 119 268.515 294.494 262.513 1.00 0.00 C +ATOM 120 CA LEU A 120 267.208 297.107 260.068 1.00 0.00 C +ATOM 121 CA THR A 121 263.472 297.855 260.065 1.00 0.00 C +ATOM 122 CA ARG A 122 262.492 301.526 260.345 1.00 0.00 C +ATOM 123 CA GLN A 123 259.437 302.412 258.248 1.00 0.00 C +ATOM 124 CA PRO A 124 258.841 303.159 254.560 1.00 0.00 C +ATOM 125 CA GLN A 125 255.961 303.761 252.140 1.00 0.00 C +ATOM 126 CA LEU A 126 252.635 303.682 253.997 1.00 0.00 C +ATOM 127 CA LEU A 127 251.213 305.561 256.991 1.00 0.00 C +ATOM 128 CA HIS A 128 248.675 308.053 255.625 1.00 0.00 C +ATOM 129 CA GLN A 129 248.986 310.529 252.745 1.00 0.00 C +ATOM 130 CA MET A 130 251.221 309.925 249.720 1.00 0.00 C +ATOM 131 CA GLN A 131 249.824 307.430 247.202 1.00 0.00 C +ATOM 132 CA GLN A 132 252.465 304.699 246.909 1.00 0.00 C +ATOM 133 CA ARG A 133 251.966 300.931 246.643 1.00 0.00 C +ATOM 134 CA ARG A 134 253.994 297.787 245.921 1.00 0.00 C +ATOM 135 CA THR A 135 255.563 295.273 243.527 1.00 0.00 C +ATOM 136 CA ALA A 136 254.873 291.647 242.581 1.00 0.00 C +ATOM 137 CA ASN A 137 256.286 289.945 239.479 1.00 0.00 C +ATOM 138 CA SER A 138 254.304 288.439 236.595 1.00 0.00 C +ATOM 139 CA ILE A 139 253.752 284.791 235.643 1.00 0.00 C +ATOM 140 CA PRO A 140 252.348 281.282 235.161 1.00 0.00 C +ATOM 141 CA GLY A 141 253.380 277.741 234.204 1.00 0.00 C +ATOM 142 CA PHE A 142 251.185 274.676 234.756 1.00 0.00 C +ATOM 143 CA GLY A 143 249.613 271.455 233.463 1.00 0.00 C +ATOM 144 CA MET A 144 247.041 271.820 230.677 1.00 0.00 C +ATOM 145 CA ASP A 145 243.399 272.851 230.242 1.00 0.00 C +ATOM 146 CA TYR A 146 239.932 273.398 228.759 1.00 0.00 C +ATOM 147 CA PRO A 147 239.015 274.295 225.172 1.00 0.00 C +ATOM 148 CA THR A 148 239.711 275.390 221.589 1.00 0.00 C +ATOM 149 CA PRO A 149 242.684 275.179 219.217 1.00 0.00 C +ATOM 150 CA SER A 150 242.967 278.166 216.868 1.00 0.00 C +ATOM 151 CA ARG A 151 240.253 279.506 214.555 1.00 0.00 C +ATOM 152 CA SER A 152 239.577 283.254 214.676 1.00 0.00 C +ATOM 153 CA ASN A 153 240.512 286.412 216.590 1.00 0.00 C +ATOM 154 CA ILE A 154 241.089 290.178 216.680 1.00 0.00 C +ATOM 155 CA PRO A 155 238.520 291.937 218.877 1.00 0.00 C +ATOM 156 CA SER A 156 237.061 295.438 219.236 1.00 0.00 C +ATOM 157 CA THR A 157 233.454 296.515 219.824 1.00 0.00 C +ATOM 158 CA THR A 158 231.577 296.439 216.510 1.00 0.00 C +ATOM 159 CA PRO A 159 231.389 298.723 213.466 1.00 0.00 C +ATOM 160 CA SER A 160 232.202 300.250 210.072 1.00 0.00 C +ATOM 161 CA ARG A 161 231.102 299.530 206.496 1.00 0.00 C +ATOM 162 CA PRO A 162 232.544 301.108 203.342 1.00 0.00 C +ATOM 163 CA ASN A 163 234.523 302.600 200.448 1.00 0.00 C +ATOM 164 CA SER A 164 233.809 302.438 196.709 1.00 0.00 C +ATOM 165 CA LEU A 165 235.822 301.514 193.609 1.00 0.00 C +ATOM 166 CA TYR A 166 239.518 301.126 192.768 1.00 0.00 C +ATOM 167 CA PRO A 167 241.925 301.295 195.716 1.00 0.00 C +ATOM 168 CA ASN A 168 243.031 300.615 199.298 1.00 0.00 C +ATOM 169 CA MET A 169 241.997 299.382 202.751 1.00 0.00 C +ATOM 170 CA SER A 170 239.023 298.674 205.024 1.00 0.00 C +ATOM 171 CA HIS A 171 238.166 295.206 206.350 1.00 0.00 C +ATOM 172 CA PRO A 172 241.420 293.258 206.713 1.00 0.00 C +ATOM 173 CA GLN A 173 241.564 289.505 207.356 1.00 0.00 C +ATOM 174 CA ARG A 174 239.487 286.425 208.198 1.00 0.00 C +ATOM 175 CA GLU A 175 236.745 283.782 208.073 1.00 0.00 C +ATOM 176 CA ARG A 176 235.360 280.247 208.391 1.00 0.00 C +ATOM 177 CA GLU A 177 231.575 280.321 208.819 1.00 0.00 C +ATOM 178 CA TYR A 178 228.023 278.975 209.120 1.00 0.00 C +ATOM 179 CA ASP A 179 226.215 278.862 205.769 1.00 0.00 C +ATOM 180 CA GLU A 180 224.312 276.410 203.560 1.00 0.00 C +ATOM 181 CA TYR A 181 224.880 273.056 201.843 1.00 0.00 C +ATOM 182 CA GLU A 182 225.191 269.643 200.178 1.00 0.00 C +ATOM 183 CA ASP A 183 225.159 268.004 196.738 1.00 0.00 C +ATOM 184 CA GLY A 184 222.749 268.948 193.943 1.00 0.00 C +ATOM 185 CA GLY A 185 220.716 270.471 191.103 1.00 0.00 C +ATOM 186 CA ASP A 186 218.008 268.123 189.809 1.00 0.00 C +ATOM 187 CA GLU A 187 214.660 266.763 191.015 1.00 0.00 C +ATOM 188 CA MET A 188 212.343 269.607 192.043 1.00 0.00 C +ATOM 189 CA GLU A 189 209.014 271.416 191.646 1.00 0.00 C +ATOM 190 CA GLU A 190 207.141 272.486 194.786 1.00 0.00 C +TER 191 GLU A 190 +END diff --git a/Fungi/A0A9P6QK36/A0A9P6QK36.dcd b/Fungi/A0A9P6QK36/A0A9P6QK36.dcd new file mode 100644 index 0000000000000000000000000000000000000000..9620d1d87d5f56c5e33880bb263b323f472d24f5 --- /dev/null +++ b/Fungi/A0A9P6QK36/A0A9P6QK36.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:89a7a7d5b430afbd7ae01c7b8ab64b597a8e6f1450a657d28cac47dd09273831 +size 16760276 diff --git a/Fungi/A0A9P6QK36/top.pdb b/Fungi/A0A9P6QK36/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a6d291ce5bc97cf10203b0957b03f20f6dc69925 --- /dev/null +++ b/Fungi/A0A9P6QK36/top.pdb @@ -0,0 +1,137 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ALA A 1 248.763 308.874 272.625 1.00 0.00 C +ATOM 2 CA LYS A 2 247.000 306.699 275.209 1.00 0.00 C +ATOM 3 CA ALA A 3 244.595 304.159 273.701 1.00 0.00 C +ATOM 4 CA ASP A 4 244.283 303.267 270.010 1.00 0.00 C +ATOM 5 CA ALA A 5 243.034 300.385 267.854 1.00 0.00 C +ATOM 6 CA LEU A 6 239.251 300.477 267.412 1.00 0.00 C +ATOM 7 CA ASP A 7 237.060 297.996 265.524 1.00 0.00 C +ATOM 8 CA LYS A 8 237.206 297.628 261.735 1.00 0.00 C +ATOM 9 CA ILE A 9 240.578 296.150 260.754 1.00 0.00 C +ATOM 10 CA THR A 10 242.657 297.977 258.136 1.00 0.00 C +ATOM 11 CA ALA A 11 246.264 296.971 257.432 1.00 0.00 C +ATOM 12 CA LEU A 12 247.830 294.492 259.865 1.00 0.00 C +ATOM 13 CA LYS A 13 248.806 292.862 263.167 1.00 0.00 C +ATOM 14 CA LYS A 14 250.824 295.400 265.167 1.00 0.00 C +ATOM 15 CA LYS A 15 253.329 295.654 268.027 1.00 0.00 C +ATOM 16 CA ARG A 16 256.367 294.491 270.010 1.00 0.00 C +ATOM 17 CA GLN A 17 259.574 293.260 271.657 1.00 0.00 C +ATOM 18 CA GLY A 18 261.811 291.667 274.299 1.00 0.00 C +ATOM 19 CA ASN A 19 264.176 292.752 277.082 1.00 0.00 C +ATOM 20 CA ASP A 20 263.898 295.318 279.884 1.00 0.00 C +ATOM 21 CA ASN A 21 262.420 296.062 283.316 1.00 0.00 C +ATOM 22 CA SER A 22 259.889 298.242 285.149 1.00 0.00 C +ATOM 23 CA THR A 23 256.087 298.457 285.029 1.00 0.00 C +ATOM 24 CA ASN A 24 252.488 297.722 284.016 1.00 0.00 C +ATOM 25 CA ALA A 25 250.279 300.754 283.351 1.00 0.00 C +ATOM 26 CA ASP A 26 246.636 299.958 282.572 1.00 0.00 C +ATOM 27 CA ASP A 27 243.958 297.409 281.651 1.00 0.00 C +ATOM 28 CA ASP A 28 240.809 299.451 280.998 1.00 0.00 C +ATOM 29 CA PHE A 29 238.742 299.064 284.175 1.00 0.00 C +ATOM 30 CA ASP A 30 240.472 299.168 287.568 1.00 0.00 C +ATOM 31 CA VAL A 31 240.995 296.695 290.418 1.00 0.00 C +ATOM 32 CA ALA A 32 241.452 292.936 289.998 1.00 0.00 C +ATOM 33 CA LEU A 33 242.223 289.902 292.171 1.00 0.00 C +ATOM 34 CA ALA A 34 241.162 286.764 290.289 1.00 0.00 C +ATOM 35 CA SER A 35 242.786 286.137 286.900 1.00 0.00 C +ATOM 36 CA ASP A 36 241.944 283.377 284.413 1.00 0.00 C +ATOM 37 CA ASP A 37 243.225 280.205 282.735 1.00 0.00 C +ATOM 38 CA GLU A 38 242.114 278.501 279.513 1.00 0.00 C +ATOM 39 CA GLU A 39 243.787 275.139 278.871 1.00 0.00 C +ATOM 40 CA MET A 40 242.994 271.794 277.229 1.00 0.00 C +ATOM 41 CA LYS A 41 242.216 268.225 276.144 1.00 0.00 C +ATOM 42 CA SER A 42 239.353 265.769 276.680 1.00 0.00 C +ATOM 43 CA TYR A 43 239.251 262.012 277.304 1.00 0.00 C +ATOM 44 CA LYS A 44 238.684 260.257 273.970 1.00 0.00 C +ATOM 45 CA THR A 45 236.392 258.272 271.664 1.00 0.00 C +ATOM 46 CA SER A 46 236.918 254.774 270.249 1.00 0.00 C +ATOM 47 CA ASP A 47 240.417 253.361 270.774 1.00 0.00 C +ATOM 48 CA GLY A 48 242.364 250.361 269.460 1.00 0.00 C +ATOM 49 CA ASN A 49 242.943 246.596 269.561 1.00 0.00 C +ATOM 50 CA GLY A 50 241.618 243.362 268.044 1.00 0.00 C +ATOM 51 CA THR A 51 242.781 240.015 269.444 1.00 0.00 C +ATOM 52 CA GLY A 52 245.162 237.186 268.523 1.00 0.00 C +ATOM 53 CA LYS A 53 248.077 234.798 269.079 1.00 0.00 C +ATOM 54 CA LYS A 54 251.332 233.328 270.407 1.00 0.00 C +ATOM 55 CA ARG A 55 254.736 231.818 271.213 1.00 0.00 C +ATOM 56 CA SER A 56 258.170 232.364 272.769 1.00 0.00 C +ATOM 57 CA SER A 57 260.736 235.109 272.140 1.00 0.00 C +ATOM 58 CA THR A 58 262.344 236.440 268.953 1.00 0.00 C +ATOM 59 CA SER A 59 265.751 237.818 267.948 1.00 0.00 C +ATOM 60 CA THR A 60 268.847 236.418 266.225 1.00 0.00 C +ATOM 61 CA GLN A 61 271.283 235.249 263.538 1.00 0.00 C +ATOM 62 CA GLU A 62 271.197 237.371 260.375 1.00 0.00 C +ATOM 63 CA SER A 63 270.764 240.943 259.121 1.00 0.00 C +ATOM 64 CA ARG A 64 269.928 240.774 255.408 1.00 0.00 C +ATOM 65 CA GLY A 65 271.028 239.853 251.878 1.00 0.00 C +ATOM 66 CA LYS A 66 272.818 242.561 249.882 1.00 0.00 C +ATOM 67 CA ARG A 67 275.912 241.794 247.795 1.00 0.00 C +ATOM 68 CA HIS A 68 278.545 243.854 245.967 1.00 0.00 C +ATOM 69 CA LYS A 69 278.540 243.171 242.219 1.00 0.00 C +ATOM 70 CA LYS A 70 278.988 239.832 240.440 1.00 0.00 C +ATOM 71 CA ASP A 71 278.496 238.059 237.104 1.00 0.00 C +ATOM 72 CA GLN A 72 278.497 234.574 235.565 1.00 0.00 C +ATOM 73 CA LYS A 73 281.257 232.363 234.148 1.00 0.00 C +ATOM 74 CA PHE A 74 282.731 229.073 235.381 1.00 0.00 C +ATOM 75 CA GLY A 75 283.076 226.180 237.836 1.00 0.00 C +ATOM 76 CA PHE A 76 280.817 223.980 239.974 1.00 0.00 C +ATOM 77 CA GLY A 77 277.560 222.199 239.114 1.00 0.00 C +ATOM 78 CA GLY A 78 276.738 218.923 237.351 1.00 0.00 C +ATOM 79 CA LYS A 79 273.116 218.468 236.261 1.00 0.00 C +ATOM 80 CA LYS A 80 270.193 217.420 238.468 1.00 0.00 C +ATOM 81 CA ARG A 81 268.049 214.716 236.853 1.00 0.00 C +ATOM 82 CA PHE A 82 264.501 213.542 236.114 1.00 0.00 C +ATOM 83 CA GLY A 83 260.888 214.496 235.367 1.00 0.00 C +ATOM 84 CA LYS A 84 258.358 212.525 237.424 1.00 0.00 C +ATOM 85 CA SER A 85 258.224 211.939 241.186 1.00 0.00 C +ATOM 86 CA ASN A 86 257.358 213.040 244.729 1.00 0.00 C +ATOM 87 CA ASP A 87 256.387 215.703 247.274 1.00 0.00 C +ATOM 88 CA ALA A 88 253.825 218.470 246.729 1.00 0.00 C +ATOM 89 CA ASN A 89 253.609 222.266 246.975 1.00 0.00 C +ATOM 90 CA SER A 90 251.130 225.159 246.933 1.00 0.00 C +ATOM 91 CA SER A 91 248.860 227.510 244.974 1.00 0.00 C +ATOM 92 CA ALA A 92 245.187 228.239 245.674 1.00 0.00 C +ATOM 93 CA ASP A 93 241.751 227.806 247.261 1.00 0.00 C +ATOM 94 CA VAL A 94 238.602 226.376 248.860 1.00 0.00 C +ATOM 95 CA SER A 95 235.777 223.899 248.225 1.00 0.00 C +ATOM 96 CA GLY A 96 234.812 220.298 249.009 1.00 0.00 C +ATOM 97 CA PHE A 97 236.697 218.319 251.664 1.00 0.00 C +ATOM 98 CA ASN A 98 239.345 218.266 254.402 1.00 0.00 C +ATOM 99 CA VAL A 99 242.248 215.798 254.455 1.00 0.00 C +ATOM 100 CA LYS A 100 244.629 212.830 254.642 1.00 0.00 C +ATOM 101 CA ARG A 101 244.730 210.726 251.468 1.00 0.00 C +ATOM 102 CA ASN A 102 244.893 209.461 247.878 1.00 0.00 C +ATOM 103 CA LYS A 103 245.567 210.455 244.262 1.00 0.00 C +ATOM 104 CA SER A 104 247.649 210.398 241.072 1.00 0.00 C +ATOM 105 CA THR A 105 247.435 210.701 237.280 1.00 0.00 C +ATOM 106 CA SER A 106 247.749 213.523 234.740 1.00 0.00 C +ATOM 107 CA PHE A 107 248.665 215.073 231.382 1.00 0.00 C +ATOM 108 CA LYS A 108 251.481 212.982 229.893 1.00 0.00 C +ATOM 109 CA SER A 109 251.868 214.138 226.283 1.00 0.00 C +ATOM 110 CA GLY A 110 252.179 217.691 224.944 1.00 0.00 C +ATOM 111 CA HIS A 111 254.259 220.791 224.183 1.00 0.00 C +ATOM 112 CA LYS A 112 251.968 223.669 223.193 1.00 0.00 C +ATOM 113 CA ALA A 113 249.416 226.076 221.706 1.00 0.00 C +ATOM 114 CA HIS A 114 247.330 224.868 218.755 1.00 0.00 C +ATOM 115 CA LYS A 115 245.301 226.750 216.137 1.00 0.00 C +ATOM 116 CA ALA A 116 244.139 229.478 213.745 1.00 0.00 C +ATOM 117 CA GLY A 117 244.131 228.591 210.039 1.00 0.00 C +ATOM 118 CA GLY A 118 242.432 231.413 208.125 1.00 0.00 C +ATOM 119 CA ALA A 119 240.850 233.885 205.695 1.00 0.00 C +ATOM 120 CA LYS A 120 238.068 236.155 204.422 1.00 0.00 C +ATOM 121 CA LYS A 121 236.792 234.464 201.255 1.00 0.00 C +ATOM 122 CA GLY A 122 237.369 236.479 198.073 1.00 0.00 C +ATOM 123 CA GLY A 123 236.013 234.240 195.305 1.00 0.00 C +ATOM 124 CA ALA A 124 233.930 234.893 192.182 1.00 0.00 C +ATOM 125 CA ALA A 125 230.801 236.976 192.803 1.00 0.00 C +ATOM 126 CA LYS A 126 227.635 235.804 191.036 1.00 0.00 C +ATOM 127 CA GLN A 127 223.917 236.598 191.270 1.00 0.00 C +ATOM 128 CA ARG A 128 221.957 239.319 189.462 1.00 0.00 C +ATOM 129 CA PRO A 129 219.976 238.926 186.231 1.00 0.00 C +ATOM 130 CA GLY A 130 217.766 239.723 183.231 1.00 0.00 C +ATOM 131 CA LYS A 131 219.515 238.645 180.023 1.00 0.00 C +ATOM 132 CA GLY A 132 221.458 241.485 178.388 1.00 0.00 C +ATOM 133 CA ARG A 133 221.180 245.283 178.503 1.00 0.00 C +TER 134 ARG A 133 +END diff --git a/Fungi/A0A9P6R1U5/A0A9P6R1U5.dcd b/Fungi/A0A9P6R1U5/A0A9P6R1U5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b3be0f28040af6deef65968a5d38b3b1641adfb4 --- /dev/null +++ b/Fungi/A0A9P6R1U5/A0A9P6R1U5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:81586b481d80f83eda75e15e8db276ce662f56734440dfb0c541ef9050fa6282 +size 10040276 diff --git a/Fungi/A0A9P6R1U5/top.pdb b/Fungi/A0A9P6R1U5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..bd508775843deb1f57bef3c9a21a47557df42496 --- /dev/null +++ b/Fungi/A0A9P6R1U5/top.pdb @@ -0,0 +1,81 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ARG A 1 258.985 286.984 269.708 1.00 0.00 C +ATOM 2 CA LYS A 2 258.889 285.172 266.357 1.00 0.00 C +ATOM 3 CA THR A 3 261.690 282.686 265.652 1.00 0.00 C +ATOM 4 CA PHE A 4 265.166 281.468 266.625 1.00 0.00 C +ATOM 5 CA GLY A 5 268.444 283.337 267.153 1.00 0.00 C +ATOM 6 CA GLU A 6 271.703 285.293 266.895 1.00 0.00 C +ATOM 7 CA VAL A 7 274.453 282.682 267.261 1.00 0.00 C +ATOM 8 CA GLU A 8 273.089 279.199 266.539 1.00 0.00 C +ATOM 9 CA VAL A 9 274.678 277.264 263.666 1.00 0.00 C +ATOM 10 CA ALA A 10 275.095 274.363 261.233 1.00 0.00 C +ATOM 11 CA LEU A 11 276.432 274.241 257.667 1.00 0.00 C +ATOM 12 CA ASP A 12 277.969 270.810 257.050 1.00 0.00 C +ATOM 13 CA PRO A 13 277.482 268.712 260.192 1.00 0.00 C +ATOM 14 CA SER A 14 275.300 267.047 262.835 1.00 0.00 C +ATOM 15 CA GLU A 15 272.675 264.341 263.385 1.00 0.00 C +ATOM 16 CA LEU A 16 273.014 260.644 264.241 1.00 0.00 C +ATOM 17 CA GLY A 17 272.961 259.812 267.959 1.00 0.00 C +ATOM 18 CA ASN A 18 271.317 256.442 268.634 1.00 0.00 C +ATOM 19 CA ILE A 19 270.484 252.725 268.691 1.00 0.00 C +ATOM 20 CA ASP A 20 268.236 251.337 265.946 1.00 0.00 C +ATOM 21 CA SER A 21 264.776 252.810 265.337 1.00 0.00 C +ATOM 22 CA GLU A 22 262.564 253.402 268.382 1.00 0.00 C +ATOM 23 CA THR A 23 260.560 250.215 268.968 1.00 0.00 C +ATOM 24 CA LEU A 24 257.735 247.824 268.062 1.00 0.00 C +ATOM 25 CA GLN A 25 254.702 245.519 268.084 1.00 0.00 C +ATOM 26 CA GLU A 26 255.947 242.233 266.611 1.00 0.00 C +ATOM 27 CA ARG A 27 255.090 238.661 267.622 1.00 0.00 C +ATOM 28 CA TYR A 28 257.331 235.993 266.081 1.00 0.00 C +ATOM 29 CA GLU A 29 258.967 233.015 264.358 1.00 0.00 C +ATOM 30 CA HIS A 30 257.287 232.270 261.020 1.00 0.00 C +ATOM 31 CA GLY A 31 259.467 229.956 258.921 1.00 0.00 C +ATOM 32 CA LEU A 32 261.154 226.617 258.201 1.00 0.00 C +ATOM 33 CA GLN A 33 263.468 223.819 257.046 1.00 0.00 C +ATOM 34 CA ALA A 34 264.025 221.903 253.800 1.00 0.00 C +ATOM 35 CA SER A 35 265.566 224.101 251.096 1.00 0.00 C +ATOM 36 CA ARG A 36 262.763 224.991 248.674 1.00 0.00 C +ATOM 37 CA PRO A 37 259.280 226.415 249.270 1.00 0.00 C +ATOM 38 CA GLU A 38 256.698 227.916 246.905 1.00 0.00 C +ATOM 39 CA SER A 39 257.640 228.115 243.218 1.00 0.00 C +ATOM 40 CA HIS A 40 257.700 231.384 241.263 1.00 0.00 C +ATOM 41 CA ARG A 41 255.090 232.138 238.591 1.00 0.00 C +ATOM 42 CA GLU A 42 252.010 233.433 236.759 1.00 0.00 C +ATOM 43 CA GLU A 43 248.709 235.167 235.977 1.00 0.00 C +ATOM 44 CA THR A 44 245.928 233.216 234.253 1.00 0.00 C +ATOM 45 CA GLY A 45 243.152 231.302 232.478 1.00 0.00 C +ATOM 46 CA ASP A 46 242.002 233.245 229.410 1.00 0.00 C +ATOM 47 CA LEU A 47 238.804 235.083 230.365 1.00 0.00 C +ATOM 48 CA LEU A 48 235.633 235.300 228.264 1.00 0.00 C +ATOM 49 CA GLU A 49 233.588 238.335 229.323 1.00 0.00 C +ATOM 50 CA THR A 50 230.259 238.038 231.151 1.00 0.00 C +ATOM 51 CA HIS A 51 227.002 239.279 232.691 1.00 0.00 C +ATOM 52 CA LEU A 52 225.678 237.820 235.952 1.00 0.00 C +ATOM 53 CA ALA A 53 225.319 234.666 238.060 1.00 0.00 C +ATOM 54 CA ASN A 54 224.926 235.271 241.801 1.00 0.00 C +ATOM 55 CA THR A 55 224.058 237.048 245.057 1.00 0.00 C +ATOM 56 CA ALA A 56 220.869 238.518 246.536 1.00 0.00 C +ATOM 57 CA LYS A 57 221.420 241.317 249.061 1.00 0.00 C +ATOM 58 CA LYS A 58 223.204 244.507 247.986 1.00 0.00 C +ATOM 59 CA ARG A 59 224.085 244.106 244.301 1.00 0.00 C +ATOM 60 CA LYS A 60 225.467 242.680 241.050 1.00 0.00 C +ATOM 61 CA GLN A 61 226.307 244.448 237.781 1.00 0.00 C +ATOM 62 CA VAL A 62 226.748 245.614 234.181 1.00 0.00 C +ATOM 63 CA GLN A 63 229.385 248.356 234.404 1.00 0.00 C +ATOM 64 CA GLU A 64 230.595 251.212 232.192 1.00 0.00 C +ATOM 65 CA LYS A 65 229.667 254.863 232.756 1.00 0.00 C +ATOM 66 CA LYS A 66 231.682 257.887 233.901 1.00 0.00 C +ATOM 67 CA SER A 67 230.181 258.860 237.264 1.00 0.00 C +ATOM 68 CA GLY A 68 229.454 262.418 238.419 1.00 0.00 C +ATOM 69 CA SER A 69 230.959 264.692 235.758 1.00 0.00 C +ATOM 70 CA LYS A 70 234.694 265.231 235.232 1.00 0.00 C +ATOM 71 CA ASP A 71 237.403 263.022 233.716 1.00 0.00 C +ATOM 72 CA LYS A 72 240.139 260.379 233.505 1.00 0.00 C +ATOM 73 CA ASN A 73 242.150 259.740 236.678 1.00 0.00 C +ATOM 74 CA LYS A 74 239.896 257.744 239.012 1.00 0.00 C +ATOM 75 CA HIS A 75 238.473 256.116 242.150 1.00 0.00 C +ATOM 76 CA ILE A 76 236.882 257.200 245.438 1.00 0.00 C +ATOM 77 CA PHE A 77 237.402 260.028 247.938 1.00 0.00 C +TER 78 PHE A 77 +END diff --git a/Fungi/A0A9P6SVR1/A0A9P6SVR1.dcd b/Fungi/A0A9P6SVR1/A0A9P6SVR1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b81b3d02c15bbb2a3e2e4d20fa65b3d748118fb9 --- /dev/null +++ b/Fungi/A0A9P6SVR1/A0A9P6SVR1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:23b73c7d46ba9f5a1cf93e5442d4068e508936abd2994f895dedbf70099ff641 +size 40800276 diff --git a/Fungi/A0A9P6SVR1/top.pdb b/Fungi/A0A9P6SVR1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..140cae2fc7331de0ed60feec5eb890c71ad822f5 --- /dev/null +++ b/Fungi/A0A9P6SVR1/top.pdb @@ -0,0 +1,224 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 235.065 238.062 154.887 1.00 0.00 C +ATOM 2 CA SER A 2 236.581 235.955 157.676 1.00 0.00 C +ATOM 3 CA SER A 3 239.876 234.560 158.985 1.00 0.00 C +ATOM 4 CA LYS A 4 242.422 232.814 161.217 1.00 0.00 C +ATOM 5 CA LYS A 5 242.034 234.391 164.664 1.00 0.00 C +ATOM 6 CA ALA A 6 238.790 233.269 166.317 1.00 0.00 C +ATOM 7 CA GLY A 7 235.446 234.909 167.117 1.00 0.00 C +ATOM 8 CA LEU A 8 234.375 237.820 169.329 1.00 0.00 C +ATOM 9 CA PRO A 9 236.158 241.140 169.896 1.00 0.00 C +ATOM 10 CA SER A 10 235.158 244.456 168.309 1.00 0.00 C +ATOM 11 CA LEU A 11 237.082 247.332 166.713 1.00 0.00 C +ATOM 12 CA ASN A 12 239.978 247.984 169.102 1.00 0.00 C +ATOM 13 CA SER A 13 239.498 247.058 172.767 1.00 0.00 C +ATOM 14 CA ILE A 14 240.856 249.913 174.893 1.00 0.00 C +ATOM 15 CA ASN A 15 239.515 249.214 178.390 1.00 0.00 C +ATOM 16 CA LYS A 16 236.094 250.889 178.463 1.00 0.00 C +ATOM 17 CA LYS A 17 233.716 253.834 178.030 1.00 0.00 C +ATOM 18 CA ASP A 18 234.389 256.165 180.968 1.00 0.00 C +ATOM 19 CA GLY A 19 233.024 259.683 181.495 1.00 0.00 C +ATOM 20 CA LEU A 20 232.460 259.919 185.256 1.00 0.00 C +ATOM 21 CA GLN A 21 232.916 257.382 188.061 1.00 0.00 C +ATOM 22 CA PRO A 22 235.721 257.013 190.613 1.00 0.00 C +ATOM 23 CA VAL A 23 238.426 254.990 188.850 1.00 0.00 C +ATOM 24 CA LYS A 24 240.789 252.027 189.241 1.00 0.00 C +ATOM 25 CA VAL A 25 243.282 252.447 186.390 1.00 0.00 C +ATOM 26 CA GLN A 26 245.609 254.259 183.978 1.00 0.00 C +ATOM 27 CA ARG A 27 248.806 252.816 182.491 1.00 0.00 C +ATOM 28 CA TYR A 28 250.813 250.382 184.627 1.00 0.00 C +ATOM 29 CA ARG A 29 252.033 250.253 188.234 1.00 0.00 C +ATOM 30 CA ALA A 30 251.469 253.543 190.070 1.00 0.00 C +ATOM 31 CA GLY A 31 249.238 253.466 193.158 1.00 0.00 C +ATOM 32 CA GLN A 32 248.087 257.002 193.990 1.00 0.00 C +ATOM 33 CA ALA A 33 245.183 259.278 194.941 1.00 0.00 C +ATOM 34 CA PRO A 34 242.061 260.070 196.977 1.00 0.00 C +ATOM 35 CA GLU A 35 240.596 263.569 197.335 1.00 0.00 C +ATOM 36 CA GLY A 36 238.451 263.650 200.483 1.00 0.00 C +ATOM 37 CA TYR A 37 238.567 261.330 203.503 1.00 0.00 C +ATOM 38 CA VAL A 38 236.604 259.561 206.248 1.00 0.00 C +ATOM 39 CA ASP A 39 234.792 256.226 205.918 1.00 0.00 C +ATOM 40 CA PRO A 40 232.578 255.222 202.984 1.00 0.00 C +ATOM 41 CA ALA A 41 229.671 254.584 200.606 1.00 0.00 C +ATOM 42 CA LEU A 42 227.553 254.175 197.466 1.00 0.00 C +ATOM 43 CA GLU A 43 224.924 256.174 195.565 1.00 0.00 C +ATOM 44 CA SER A 44 221.348 255.455 196.667 1.00 0.00 C +ATOM 45 CA SER A 45 219.647 257.508 199.389 1.00 0.00 C +ATOM 46 CA ASP A 46 215.860 257.796 199.091 1.00 0.00 C +ATOM 47 CA GLU A 47 215.121 260.190 196.220 1.00 0.00 C +ATOM 48 CA GLU A 48 216.684 263.608 195.597 1.00 0.00 C +ATOM 49 CA GLU A 49 219.507 264.205 198.085 1.00 0.00 C +ATOM 50 CA ASP A 50 221.237 264.738 201.437 1.00 0.00 C +ATOM 51 CA GLU A 51 222.130 263.411 204.895 1.00 0.00 C +ATOM 52 CA ASN A 52 220.481 262.685 208.252 1.00 0.00 C +ATOM 53 CA ASP A 53 219.612 260.541 211.279 1.00 0.00 C +ATOM 54 CA ALA A 54 221.425 258.785 214.133 1.00 0.00 C +ATOM 55 CA SER A 55 224.626 256.907 214.993 1.00 0.00 C +ATOM 56 CA LYS A 56 225.147 253.141 214.751 1.00 0.00 C +ATOM 57 CA THR A 57 228.328 252.645 212.714 1.00 0.00 C +ATOM 58 CA ARG A 58 231.540 253.353 214.637 1.00 0.00 C +ATOM 59 CA ARG A 59 233.478 250.083 214.906 1.00 0.00 C +ATOM 60 CA ASP A 60 235.195 249.047 211.667 1.00 0.00 C +ATOM 61 CA GLY A 61 238.058 251.062 210.163 1.00 0.00 C +ATOM 62 CA ARG A 62 240.289 254.132 210.502 1.00 0.00 C +ATOM 63 CA SER A 63 240.889 255.395 214.046 1.00 0.00 C +ATOM 64 CA LYS A 64 242.124 252.633 216.361 1.00 0.00 C +ATOM 65 CA GLY A 65 244.496 251.974 219.270 1.00 0.00 C +ATOM 66 CA VAL A 66 247.150 254.609 219.997 1.00 0.00 C +ATOM 67 CA GLY A 67 249.468 253.259 222.702 1.00 0.00 C +ATOM 68 CA GLY A 68 253.156 254.154 223.046 1.00 0.00 C +ATOM 69 CA ALA A 69 255.297 251.197 224.136 1.00 0.00 C +ATOM 70 CA THR A 70 257.868 249.078 222.287 1.00 0.00 C +ATOM 71 CA GLY A 71 259.939 246.602 224.311 1.00 0.00 C +ATOM 72 CA GLY A 72 259.263 247.052 228.033 1.00 0.00 C +ATOM 73 CA ASN A 73 255.806 245.647 228.801 1.00 0.00 C +ATOM 74 CA MET A 74 255.203 245.974 232.549 1.00 0.00 C +ATOM 75 CA SER A 75 252.889 243.444 234.211 1.00 0.00 C +ATOM 76 CA ILE A 76 250.513 243.454 237.189 1.00 0.00 C +ATOM 77 CA SER A 77 249.515 246.492 239.260 1.00 0.00 C +ATOM 78 CA GLN A 78 248.076 246.844 242.770 1.00 0.00 C +ATOM 79 CA GLU A 79 249.266 249.499 245.230 1.00 0.00 C +ATOM 80 CA ASP A 80 249.732 250.824 248.772 1.00 0.00 C +ATOM 81 CA GLN A 81 250.626 254.030 250.626 1.00 0.00 C +ATOM 82 CA GLN A 82 252.202 256.389 248.083 1.00 0.00 C +ATOM 83 CA PRO A 83 252.260 260.046 249.148 1.00 0.00 C +ATOM 84 CA ARG A 84 252.466 263.809 248.586 1.00 0.00 C +ATOM 85 CA VAL A 85 249.602 265.721 246.956 1.00 0.00 C +ATOM 86 CA ALA A 86 246.303 264.391 248.322 1.00 0.00 C +ATOM 87 CA TYR A 87 242.553 264.326 247.652 1.00 0.00 C +ATOM 88 CA LYS A 88 240.114 265.164 244.848 1.00 0.00 C +ATOM 89 CA ILE A 89 242.079 267.368 242.440 1.00 0.00 C +ATOM 90 CA LEU A 90 242.558 265.771 239.014 1.00 0.00 C +ATOM 91 CA ASN A 91 245.329 267.340 236.922 1.00 0.00 C +ATOM 92 CA ILE A 92 248.108 269.277 235.178 1.00 0.00 C +ATOM 93 CA GLU A 93 251.148 266.985 235.324 1.00 0.00 C +ATOM 94 CA ARG A 94 254.455 267.833 233.632 1.00 0.00 C +ATOM 95 CA MET A 95 257.987 266.578 232.949 1.00 0.00 C +ATOM 96 CA THR A 96 259.774 263.215 232.845 1.00 0.00 C +ATOM 97 CA LYS A 97 262.427 260.708 231.754 1.00 0.00 C +ATOM 98 CA GLU A 98 261.034 257.202 232.292 1.00 0.00 C +ATOM 99 CA ARG A 99 260.301 254.137 234.432 1.00 0.00 C +ATOM 100 CA GLN A 100 258.161 250.985 234.468 1.00 0.00 C +ATOM 101 CA MET A 101 254.510 252.073 234.418 1.00 0.00 C +ATOM 102 CA GLU A 102 253.879 255.758 235.152 1.00 0.00 C +ATOM 103 CA LYS A 103 252.821 256.709 238.687 1.00 0.00 C +ATOM 104 CA LYS A 104 250.745 255.090 241.441 1.00 0.00 C +ATOM 105 CA SER A 105 247.030 254.264 241.265 1.00 0.00 C +ATOM 106 CA GLN A 106 244.620 253.248 244.035 1.00 0.00 C +ATOM 107 CA SER A 107 243.500 250.679 246.616 1.00 0.00 C +ATOM 108 CA GLN A 108 242.960 249.197 250.084 1.00 0.00 C +ATOM 109 CA SER A 109 241.821 251.861 252.558 1.00 0.00 C +ATOM 110 CA ILE A 110 240.616 253.478 255.791 1.00 0.00 C +ATOM 111 CA PRO A 111 238.612 251.081 257.971 1.00 0.00 C +ATOM 112 CA ASP A 112 238.223 248.927 261.090 1.00 0.00 C +ATOM 113 CA ILE A 113 239.625 245.591 262.284 1.00 0.00 C +ATOM 114 CA PRO A 114 239.588 241.810 261.818 1.00 0.00 C +ATOM 115 CA ALA A 115 240.546 240.205 258.498 1.00 0.00 C +ATOM 116 CA GLY A 116 243.713 238.209 257.792 1.00 0.00 C +ATOM 117 CA ALA A 117 246.640 237.179 255.580 1.00 0.00 C +ATOM 118 CA SER A 118 248.971 235.178 257.833 1.00 0.00 C +ATOM 119 CA GLY A 119 249.175 232.616 260.646 1.00 0.00 C +ATOM 120 CA ASP A 120 249.809 230.595 263.812 1.00 0.00 C +ATOM 121 CA ARG A 121 246.998 231.570 266.192 1.00 0.00 C +ATOM 122 CA ARG A 122 244.540 233.062 268.692 1.00 0.00 C +ATOM 123 CA LEU A 123 243.224 235.867 270.909 1.00 0.00 C +ATOM 124 CA ALA A 124 243.095 235.435 274.692 1.00 0.00 C +ATOM 125 CA ARG A 125 244.299 233.282 277.596 1.00 0.00 C +ATOM 126 CA LEU A 126 246.944 230.796 278.753 1.00 0.00 C +ATOM 127 CA GLN A 127 250.547 231.078 279.958 1.00 0.00 C +ATOM 128 CA ALA A 128 253.703 230.956 277.826 1.00 0.00 C +ATOM 129 CA ILE A 129 257.456 230.967 277.170 1.00 0.00 C +ATOM 130 CA GLN A 130 260.436 230.605 279.516 1.00 0.00 C +ATOM 131 CA MET A 131 261.189 232.565 282.696 1.00 0.00 C +ATOM 132 CA GLU A 132 260.000 233.828 286.088 1.00 0.00 C +ATOM 133 CA ASP A 133 260.213 231.126 288.766 1.00 0.00 C +ATOM 134 CA ARG A 134 258.053 228.065 289.461 1.00 0.00 C +ATOM 135 CA ARG A 135 257.033 226.267 292.661 1.00 0.00 C +ATOM 136 CA SER A 136 256.261 226.393 296.390 1.00 0.00 C +ATOM 137 CA ARG A 137 257.050 226.935 300.078 1.00 0.00 C +ATOM 138 CA GLY A 138 260.802 227.313 300.621 1.00 0.00 C +ATOM 139 CA ASP A 139 262.279 228.941 303.733 1.00 0.00 C +ATOM 140 CA VAL A 140 260.910 231.173 306.501 1.00 0.00 C +ATOM 141 CA ARG A 141 262.348 234.685 306.168 1.00 0.00 C +ATOM 142 CA SER A 142 263.223 236.022 302.709 1.00 0.00 C +ATOM 143 CA ARG A 143 260.937 236.102 299.662 1.00 0.00 C +ATOM 144 CA ARG A 144 258.934 236.324 296.429 1.00 0.00 C +ATOM 145 CA GLY A 145 255.881 234.048 296.555 1.00 0.00 C +ATOM 146 CA ARG A 146 252.119 233.499 296.795 1.00 0.00 C +ATOM 147 CA GLY A 147 250.736 230.002 296.181 1.00 0.00 C +ATOM 148 CA GLY A 148 248.469 228.702 298.953 1.00 0.00 C +ATOM 149 CA SER A 149 246.786 229.494 302.279 1.00 0.00 C +ATOM 150 CA ASP A 150 247.983 232.393 304.442 1.00 0.00 C +ATOM 151 CA GLU A 151 250.086 235.540 304.876 1.00 0.00 C +ATOM 152 CA ASP A 152 252.016 237.992 302.691 1.00 0.00 C +ATOM 153 CA GLU A 153 254.835 240.475 302.052 1.00 0.00 C +ATOM 154 CA GLU A 154 257.582 241.686 299.706 1.00 0.00 C +ATOM 155 CA GLY A 155 260.083 243.013 297.157 1.00 0.00 C +ATOM 156 CA GLY A 156 261.408 241.674 293.845 1.00 0.00 C +ATOM 157 CA GLU A 157 264.783 240.569 292.465 1.00 0.00 C +ATOM 158 CA GLU A 158 266.531 241.963 289.380 1.00 0.00 C +ATOM 159 CA GLU A 159 270.143 240.764 289.558 1.00 0.00 C +ATOM 160 CA GLU A 160 272.464 243.667 290.395 1.00 0.00 C +ATOM 161 CA LYS A 161 273.129 247.216 291.610 1.00 0.00 C +ATOM 162 CA GLU A 162 274.163 249.688 288.901 1.00 0.00 C +ATOM 163 CA GLU A 163 273.523 248.024 285.533 1.00 0.00 C +ATOM 164 CA GLU A 164 270.762 247.111 283.072 1.00 0.00 C +ATOM 165 CA GLU A 165 267.268 248.317 282.147 1.00 0.00 C +ATOM 166 CA ASP A 166 267.485 250.012 278.742 1.00 0.00 C +ATOM 167 CA ASP A 167 264.138 250.713 277.062 1.00 0.00 C +ATOM 168 CA GLU A 168 263.971 248.822 273.759 1.00 0.00 C +ATOM 169 CA GLU A 169 265.670 248.284 270.391 1.00 0.00 C +ATOM 170 CA GLU A 170 265.627 246.336 267.118 1.00 0.00 C +ATOM 171 CA ALA A 171 268.969 247.094 265.451 1.00 0.00 C +ATOM 172 CA ALA A 172 271.984 246.869 267.769 1.00 0.00 C +ATOM 173 CA LEU A 173 272.558 247.375 271.502 1.00 0.00 C +ATOM 174 CA ARG A 174 274.118 244.259 273.043 1.00 0.00 C +ATOM 175 CA ARG A 175 272.598 241.357 274.989 1.00 0.00 C +ATOM 176 CA ARG A 176 269.827 242.353 277.406 1.00 0.00 C +ATOM 177 CA LYS A 177 267.676 239.229 277.765 1.00 0.00 C +ATOM 178 CA ALA A 178 266.174 238.055 281.064 1.00 0.00 C +ATOM 179 CA ALA A 179 263.735 238.916 283.862 1.00 0.00 C +ATOM 180 CA ARG A 180 260.921 241.444 284.313 1.00 0.00 C +ATOM 181 CA ALA A 181 260.796 244.003 281.493 1.00 0.00 C +ATOM 182 CA ARG A 182 259.010 246.547 279.290 1.00 0.00 C +ATOM 183 CA ALA A 183 256.501 247.824 276.723 1.00 0.00 C +ATOM 184 CA MET A 184 252.703 248.125 276.726 1.00 0.00 C +ATOM 185 CA ARG A 185 248.911 247.762 276.725 1.00 0.00 C +ATOM 186 CA GLU A 186 246.408 244.948 277.307 1.00 0.00 C +ATOM 187 CA GLU A 187 246.596 242.373 280.108 1.00 0.00 C +ATOM 188 CA ALA A 188 245.577 242.858 283.747 1.00 0.00 C +ATOM 189 CA GLU A 189 243.519 245.891 284.787 1.00 0.00 C +ATOM 190 CA GLU A 190 243.200 247.573 288.191 1.00 0.00 C +ATOM 191 CA GLU A 191 240.165 249.850 287.845 1.00 0.00 C +ATOM 192 CA GLU A 192 238.874 250.898 291.273 1.00 0.00 C +ATOM 193 CA LEU A 193 239.297 253.345 294.163 1.00 0.00 C +ATOM 194 CA TRP A 194 240.573 251.506 297.246 1.00 0.00 C +ATOM 195 CA GLY A 195 243.892 249.915 296.261 1.00 0.00 C +ATOM 196 CA GLN A 196 246.594 252.477 297.069 1.00 0.00 C +ATOM 197 CA GLY A 197 250.175 251.554 297.985 1.00 0.00 C +ATOM 198 CA GLU A 198 253.108 249.396 299.105 1.00 0.00 C +ATOM 199 CA GLU A 199 256.500 248.038 300.184 1.00 0.00 C +ATOM 200 CA GLU A 200 257.860 248.721 303.677 1.00 0.00 C +ATOM 201 CA GLU A 201 261.542 248.311 304.564 1.00 0.00 C +ATOM 202 CA GLU A 202 264.696 250.444 304.707 1.00 0.00 C +ATOM 203 CA GLU A 203 265.946 253.763 306.099 1.00 0.00 C +ATOM 204 CA GLU A 204 263.847 256.914 306.526 1.00 0.00 C +ATOM 205 CA GLU A 205 265.975 260.054 306.166 1.00 0.00 C +ATOM 206 CA GLU A 206 267.389 261.311 309.473 1.00 0.00 C +ATOM 207 CA ASP A 207 268.637 264.895 309.132 1.00 0.00 C +ATOM 208 CA GLY A 208 270.173 267.599 311.333 1.00 0.00 C +ATOM 209 CA ALA A 209 273.143 268.033 313.679 1.00 0.00 C +ATOM 210 CA GLY A 210 276.749 269.038 314.389 1.00 0.00 C +ATOM 211 CA ARG A 211 277.098 269.230 318.178 1.00 0.00 C +ATOM 212 CA LYS A 212 275.698 272.201 320.110 1.00 0.00 C +ATOM 213 CA GLY A 213 273.923 275.476 319.311 1.00 0.00 C +ATOM 214 CA LYS A 214 272.665 277.952 316.702 1.00 0.00 C +ATOM 215 CA SER A 215 271.398 281.217 318.202 1.00 0.00 C +ATOM 216 CA ARG A 216 271.907 284.441 316.236 1.00 0.00 C +ATOM 217 CA ARG A 217 270.389 287.712 315.008 1.00 0.00 C +ATOM 218 CA GLU A 218 271.863 291.188 315.520 1.00 0.00 C +ATOM 219 CA GLY A 219 274.798 293.177 314.124 1.00 0.00 C +ATOM 220 CA GLU A 220 277.285 295.894 313.151 1.00 0.00 C +TER 221 GLU A 220 +END diff --git a/Fungi/A0A9P6WA20/A0A9P6WA20.dcd b/Fungi/A0A9P6WA20/A0A9P6WA20.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e7d73d44e1bcf02edbe5b408f6d68e1b6db21d97 --- /dev/null +++ b/Fungi/A0A9P6WA20/A0A9P6WA20.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b6e00df9b209e20b47edce57335b6dc2b63d906cc159075f0effbe3ccc82e438 +size 46920276 diff --git a/Fungi/A0A9P6WA20/top.pdb b/Fungi/A0A9P6WA20/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c0a10625d7bc985ec28d62212001d4153209b205 --- /dev/null +++ b/Fungi/A0A9P6WA20/top.pdb @@ -0,0 +1,258 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 338.840 300.004 266.167 1.00 0.00 C +ATOM 2 CA THR A 2 338.571 297.402 268.937 1.00 0.00 C +ATOM 3 CA LYS A 3 340.867 294.425 268.320 1.00 0.00 C +ATOM 4 CA GLU A 4 343.800 292.052 268.852 1.00 0.00 C +ATOM 5 CA THR A 5 346.132 289.414 270.309 1.00 0.00 C +ATOM 6 CA SER A 6 349.197 287.403 269.272 1.00 0.00 C +ATOM 7 CA PRO A 7 349.317 284.020 267.522 1.00 0.00 C +ATOM 8 CA PRO A 8 346.416 281.551 267.584 1.00 0.00 C +ATOM 9 CA ARG A 9 347.402 278.048 268.711 1.00 0.00 C +ATOM 10 CA ASN A 10 350.284 275.587 268.313 1.00 0.00 C +ATOM 11 CA HIS A 11 353.921 276.342 269.158 1.00 0.00 C +ATOM 12 CA ARG A 12 357.517 277.540 269.545 1.00 0.00 C +ATOM 13 CA ARG A 13 359.949 280.468 269.380 1.00 0.00 C +ATOM 14 CA ARG A 14 359.820 282.195 265.987 1.00 0.00 C +ATOM 15 CA ASN A 15 361.155 284.057 262.942 1.00 0.00 C +ATOM 16 CA SER A 16 361.250 286.477 260.000 1.00 0.00 C +ATOM 17 CA PRO A 17 358.349 287.241 257.653 1.00 0.00 C +ATOM 18 CA GLU A 18 355.433 285.237 256.240 1.00 0.00 C +ATOM 19 CA GLN A 19 352.389 285.665 253.988 1.00 0.00 C +ATOM 20 CA ILE A 20 349.132 287.602 254.388 1.00 0.00 C +ATOM 21 CA GLN A 21 345.626 286.735 255.601 1.00 0.00 C +ATOM 22 CA LEU A 22 342.762 286.449 258.096 1.00 0.00 C +ATOM 23 CA PRO A 23 339.666 288.607 258.619 1.00 0.00 C +ATOM 24 CA PRO A 24 336.387 290.300 259.570 1.00 0.00 C +ATOM 25 CA PRO A 25 333.600 291.495 257.264 1.00 0.00 C +ATOM 26 CA MET A 26 330.469 292.169 255.200 1.00 0.00 C +ATOM 27 CA PRO A 27 328.195 289.123 254.938 1.00 0.00 C +ATOM 28 CA PRO A 28 324.960 287.144 254.569 1.00 0.00 C +ATOM 29 CA ARG A 29 323.348 283.948 255.875 1.00 0.00 C +ATOM 30 CA PRO A 30 325.824 281.541 257.484 1.00 0.00 C +ATOM 31 CA ILE A 31 325.246 280.237 261.017 1.00 0.00 C +ATOM 32 CA MET A 32 324.724 282.589 263.968 1.00 0.00 C +ATOM 33 CA LEU A 33 325.140 284.003 267.482 1.00 0.00 C +ATOM 34 CA ALA A 34 324.113 282.285 270.723 1.00 0.00 C +ATOM 35 CA THR A 35 321.951 279.217 270.072 1.00 0.00 C +ATOM 36 CA PRO A 36 319.085 276.729 269.732 1.00 0.00 C +ATOM 37 CA SER A 37 319.487 274.009 272.369 1.00 0.00 C +ATOM 38 CA GLN A 38 317.137 271.034 271.983 1.00 0.00 C +ATOM 39 CA GLY A 39 315.119 271.402 268.773 1.00 0.00 C +ATOM 40 CA TYR A 40 315.502 270.155 265.193 1.00 0.00 C +ATOM 41 CA PRO A 41 318.595 269.532 263.057 1.00 0.00 C +ATOM 42 CA PHE A 42 318.896 272.574 260.783 1.00 0.00 C +ATOM 43 CA PRO A 43 318.191 275.729 262.800 1.00 0.00 C +ATOM 44 CA VAL A 44 315.149 277.783 261.778 1.00 0.00 C +ATOM 45 CA MET A 45 312.015 278.898 259.921 1.00 0.00 C +ATOM 46 CA GLY A 46 312.089 276.937 256.656 1.00 0.00 C +ATOM 47 CA GLY A 47 309.908 277.911 253.688 1.00 0.00 C +ATOM 48 CA THR A 48 310.341 281.129 251.694 1.00 0.00 C +ATOM 49 CA PRO A 49 309.282 282.209 248.197 1.00 0.00 C +ATOM 50 CA ARG A 50 309.848 281.529 244.492 1.00 0.00 C +ATOM 51 CA GLU A 51 312.138 279.641 242.102 1.00 0.00 C +ATOM 52 CA GLU A 52 312.084 280.015 238.311 1.00 0.00 C +ATOM 53 CA GLU A 53 312.589 279.517 234.567 1.00 0.00 C +ATOM 54 CA ALA A 54 313.017 282.606 232.379 1.00 0.00 C +ATOM 55 CA PRO A 55 312.240 286.293 231.816 1.00 0.00 C +ATOM 56 CA ARG A 56 312.220 287.209 228.118 1.00 0.00 C +ATOM 57 CA ILE A 57 312.015 289.595 225.155 1.00 0.00 C +ATOM 58 CA PRO A 58 313.439 287.707 222.167 1.00 0.00 C +ATOM 59 CA GLN A 59 314.145 288.133 218.448 1.00 0.00 C +ATOM 60 CA LYS A 60 316.942 290.670 217.944 1.00 0.00 C +ATOM 61 CA LYS A 61 317.724 294.371 218.397 1.00 0.00 C +ATOM 62 CA VAL A 62 314.849 296.862 218.605 1.00 0.00 C +ATOM 63 CA SER A 63 312.266 298.284 216.192 1.00 0.00 C +ATOM 64 CA VAL A 64 310.225 295.628 214.376 1.00 0.00 C +ATOM 65 CA GLN A 65 307.029 293.561 214.212 1.00 0.00 C +ATOM 66 CA LEU A 66 303.436 292.343 214.557 1.00 0.00 C +ATOM 67 CA PRO A 67 303.387 288.534 214.631 1.00 0.00 C +ATOM 68 CA THR A 68 301.137 286.857 217.208 1.00 0.00 C +ATOM 69 CA PRO A 69 303.197 284.363 219.221 1.00 0.00 C +ATOM 70 CA SER A 70 301.772 281.765 221.615 1.00 0.00 C +ATOM 71 CA HIS A 71 303.028 281.757 225.212 1.00 0.00 C +ATOM 72 CA ARG A 72 304.849 284.739 226.732 1.00 0.00 C +ATOM 73 CA ARG A 73 303.412 288.067 227.908 1.00 0.00 C +ATOM 74 CA ARG A 74 300.603 287.452 230.407 1.00 0.00 C +ATOM 75 CA LYS A 75 297.024 288.028 231.578 1.00 0.00 C +ATOM 76 CA ALA A 76 294.670 285.197 232.555 1.00 0.00 C +ATOM 77 CA ALA A 77 293.077 282.058 231.097 1.00 0.00 C +ATOM 78 CA PRO A 78 291.555 280.251 228.108 1.00 0.00 C +ATOM 79 CA GLU A 79 287.795 280.800 228.389 1.00 0.00 C +ATOM 80 CA GLY A 80 284.474 278.958 228.687 1.00 0.00 C +ATOM 81 CA ASP A 81 284.038 275.179 228.466 1.00 0.00 C +ATOM 82 CA GLY A 82 283.656 271.388 228.500 1.00 0.00 C +ATOM 83 CA TRP A 83 283.950 269.228 231.624 1.00 0.00 C +ATOM 84 CA ASP A 84 282.259 268.405 234.938 1.00 0.00 C +ATOM 85 CA THR A 85 283.003 266.785 238.305 1.00 0.00 C +ATOM 86 CA PRO A 86 281.414 268.068 241.521 1.00 0.00 C +ATOM 87 CA GLY A 87 278.618 266.829 243.793 1.00 0.00 C +ATOM 88 CA SER A 88 279.328 267.084 247.528 1.00 0.00 C +ATOM 89 CA SER A 89 279.379 266.748 251.323 1.00 0.00 C +ATOM 90 CA ALA A 90 276.447 268.549 252.959 1.00 0.00 C +ATOM 91 CA ALA A 91 276.551 269.848 256.540 1.00 0.00 C +ATOM 92 CA ASN A 92 278.816 269.050 259.498 1.00 0.00 C +ATOM 93 CA SER A 93 280.699 269.723 262.741 1.00 0.00 C +ATOM 94 CA ARG A 94 278.774 267.941 265.504 1.00 0.00 C +ATOM 95 CA THR A 95 276.684 267.095 268.575 1.00 0.00 C +ATOM 96 CA GLY A 96 275.216 265.998 271.915 1.00 0.00 C +ATOM 97 CA THR A 97 272.255 263.733 271.125 1.00 0.00 C +ATOM 98 CA PRO A 98 269.567 261.468 272.594 1.00 0.00 C +ATOM 99 CA ALA A 99 268.084 257.959 272.527 1.00 0.00 C +ATOM 100 CA ASP A 100 264.541 256.610 272.907 1.00 0.00 C +ATOM 101 CA ASP A 101 262.476 253.415 273.114 1.00 0.00 C +ATOM 102 CA SER A 102 261.533 249.876 274.166 1.00 0.00 C +ATOM 103 CA ARG A 103 260.029 249.438 277.639 1.00 0.00 C +ATOM 104 CA PRO A 104 256.279 250.037 277.938 1.00 0.00 C +ATOM 105 CA PHE A 105 254.556 248.914 281.145 1.00 0.00 C +ATOM 106 CA ALA A 106 255.121 250.717 284.454 1.00 0.00 C +ATOM 107 CA MET A 107 257.427 253.132 286.288 1.00 0.00 C +ATOM 108 CA THR A 108 257.213 256.903 286.786 1.00 0.00 C +ATOM 109 CA ARG A 109 258.794 260.318 286.192 1.00 0.00 C +ATOM 110 CA MET A 110 258.789 260.810 282.413 1.00 0.00 C +ATOM 111 CA SER A 111 255.315 259.823 281.200 1.00 0.00 C +ATOM 112 CA SER A 112 255.197 256.259 279.858 1.00 0.00 C +ATOM 113 CA THR A 113 254.165 256.356 276.192 1.00 0.00 C +ATOM 114 CA PHE A 114 251.566 257.108 273.510 1.00 0.00 C +ATOM 115 CA SER A 115 248.300 255.227 272.953 1.00 0.00 C +ATOM 116 CA SER A 116 246.729 253.908 276.163 1.00 0.00 C +ATOM 117 CA SER A 117 245.274 250.420 276.651 1.00 0.00 C +ATOM 118 CA SER A 118 245.378 246.620 276.907 1.00 0.00 C +ATOM 119 CA SER A 119 243.889 243.395 278.284 1.00 0.00 C +ATOM 120 CA ASP A 120 241.014 241.518 276.633 1.00 0.00 C +ATOM 121 CA ALA A 121 237.719 243.031 275.464 1.00 0.00 C +ATOM 122 CA THR A 122 235.629 240.258 273.896 1.00 0.00 C +ATOM 123 CA PRO A 123 236.497 237.015 272.095 1.00 0.00 C +ATOM 124 CA SER A 124 240.266 236.464 272.028 1.00 0.00 C +ATOM 125 CA SER A 125 243.767 237.968 272.014 1.00 0.00 C +ATOM 126 CA SER A 126 245.170 240.184 269.251 1.00 0.00 C +ATOM 127 CA SER A 127 245.608 238.575 265.825 1.00 0.00 C +ATOM 128 CA CYS A 128 243.786 239.000 262.506 1.00 0.00 C +ATOM 129 CA GLU A 129 240.486 238.671 260.631 1.00 0.00 C +ATOM 130 CA THR A 130 238.716 238.141 257.298 1.00 0.00 C +ATOM 131 CA PRO A 131 237.423 240.151 254.331 1.00 0.00 C +ATOM 132 CA ASP A 132 234.961 242.974 253.636 1.00 0.00 C +ATOM 133 CA ASP A 133 231.966 244.873 252.243 1.00 0.00 C +ATOM 134 CA GLU A 134 230.124 244.362 248.948 1.00 0.00 C +ATOM 135 CA ALA A 135 228.912 242.597 245.797 1.00 0.00 C +ATOM 136 CA GLY A 136 226.740 243.646 242.848 1.00 0.00 C +ATOM 137 CA SER A 137 224.577 242.533 239.915 1.00 0.00 C +ATOM 138 CA SER A 138 223.517 244.216 236.665 1.00 0.00 C +ATOM 139 CA SER A 139 226.473 244.968 234.382 1.00 0.00 C +ATOM 140 CA SER A 140 227.998 242.388 232.030 1.00 0.00 C +ATOM 141 CA SER A 141 230.477 239.702 230.953 1.00 0.00 C +ATOM 142 CA ASP A 142 232.059 236.687 232.661 1.00 0.00 C +ATOM 143 CA VAL A 143 232.471 234.274 235.581 1.00 0.00 C +ATOM 144 CA GLU A 144 230.406 231.423 237.039 1.00 0.00 C +ATOM 145 CA ASP A 145 227.271 230.050 238.713 1.00 0.00 C +ATOM 146 CA ASP A 146 225.056 227.592 236.824 1.00 0.00 C +ATOM 147 CA ASP A 147 222.577 225.362 238.666 1.00 0.00 C +ATOM 148 CA GLU A 148 220.944 224.999 242.090 1.00 0.00 C +ATOM 149 CA ASN A 149 218.555 226.248 244.782 1.00 0.00 C +ATOM 150 CA ASP A 150 215.631 224.102 245.949 1.00 0.00 C +ATOM 151 CA TYR A 151 215.011 220.954 248.003 1.00 0.00 C +ATOM 152 CA ARG A 152 216.462 217.499 247.312 1.00 0.00 C +ATOM 153 CA GLU A 153 215.614 214.102 248.814 1.00 0.00 C +ATOM 154 CA VAL A 154 215.850 210.820 246.892 1.00 0.00 C +ATOM 155 CA ALA A 155 215.641 207.631 244.818 1.00 0.00 C +ATOM 156 CA ALA A 156 212.244 207.498 243.100 1.00 0.00 C +ATOM 157 CA ALA A 157 212.748 205.739 239.758 1.00 0.00 C +ATOM 158 CA LYS A 158 209.970 204.680 237.375 1.00 0.00 C +ATOM 159 CA ALA A 159 209.221 206.612 234.177 1.00 0.00 C +ATOM 160 CA ALA A 160 208.601 210.316 234.820 1.00 0.00 C +ATOM 161 CA ARG A 161 205.312 210.743 236.695 1.00 0.00 C +ATOM 162 CA ARG A 162 203.716 207.834 238.567 1.00 0.00 C +ATOM 163 CA LEU A 163 204.127 205.485 241.538 1.00 0.00 C +ATOM 164 CA ARG A 164 207.159 203.500 242.715 1.00 0.00 C +ATOM 165 CA LYS A 165 207.538 200.132 240.975 1.00 0.00 C +ATOM 166 CA GLN A 166 204.427 199.066 239.050 1.00 0.00 C +ATOM 167 CA LEU A 167 201.179 197.686 240.486 1.00 0.00 C +ATOM 168 CA GLU A 168 198.060 195.803 239.369 1.00 0.00 C +ATOM 169 CA PRO A 169 196.373 192.399 239.659 1.00 0.00 C +ATOM 170 CA ALA A 170 193.192 190.980 241.203 1.00 0.00 C +ATOM 171 CA ARG A 171 190.299 192.944 239.692 1.00 0.00 C +ATOM 172 CA PRO A 172 189.516 196.542 240.674 1.00 0.00 C +ATOM 173 CA GLN A 173 186.220 198.452 240.681 1.00 0.00 C +ATOM 174 CA THR A 174 184.320 201.411 242.149 1.00 0.00 C +ATOM 175 CA PRO A 175 182.541 201.702 245.505 1.00 0.00 C +ATOM 176 CA THR A 176 180.609 203.970 247.881 1.00 0.00 C +ATOM 177 CA GLU A 177 180.680 206.173 250.989 1.00 0.00 C +ATOM 178 CA VAL A 178 182.865 208.401 253.174 1.00 0.00 C +ATOM 179 CA VAL A 179 184.533 211.792 252.686 1.00 0.00 C +ATOM 180 CA HIS A 180 187.215 211.628 249.985 1.00 0.00 C +ATOM 181 CA ALA A 181 190.501 210.748 248.269 1.00 0.00 C +ATOM 182 CA ARG A 182 192.964 208.031 249.301 1.00 0.00 C +ATOM 183 CA THR A 183 191.309 204.651 248.709 1.00 0.00 C +ATOM 184 CA LYS A 184 191.565 202.305 251.699 1.00 0.00 C +ATOM 185 CA HIS A 185 194.011 203.979 254.093 1.00 0.00 C +ATOM 186 CA ALA A 186 195.821 206.753 255.977 1.00 0.00 C +ATOM 187 CA GLY A 187 198.927 208.115 257.712 1.00 0.00 C +ATOM 188 CA SER A 188 202.542 209.303 257.507 1.00 0.00 C +ATOM 189 CA THR A 189 204.074 208.527 254.106 1.00 0.00 C +ATOM 190 CA PRO A 190 202.765 205.451 252.280 1.00 0.00 C +ATOM 191 CA GLY A 191 201.300 201.935 252.381 1.00 0.00 C +ATOM 192 CA ALA A 192 201.152 200.301 255.819 1.00 0.00 C +ATOM 193 CA PRO A 193 199.216 197.245 257.014 1.00 0.00 C +ATOM 194 CA PRO A 194 195.622 195.983 256.935 1.00 0.00 C +ATOM 195 CA PRO A 195 192.655 196.260 259.308 1.00 0.00 C +ATOM 196 CA ALA A 196 191.645 199.914 259.691 1.00 0.00 C +ATOM 197 CA PRO A 197 188.036 200.873 258.934 1.00 0.00 C +ATOM 198 CA PHE A 198 187.758 204.510 260.035 1.00 0.00 C +ATOM 199 CA TYR A 199 185.058 206.992 261.069 1.00 0.00 C +ATOM 200 CA HIS A 200 182.916 209.976 262.081 1.00 0.00 C +ATOM 201 CA PRO A 201 184.067 213.497 261.193 1.00 0.00 C +ATOM 202 CA ASP A 202 184.799 217.132 260.317 1.00 0.00 C +ATOM 203 CA PHE A 203 185.425 220.633 258.950 1.00 0.00 C +ATOM 204 CA ASP A 204 183.564 221.295 255.692 1.00 0.00 C +ATOM 205 CA HIS A 205 180.393 223.333 256.246 1.00 0.00 C +ATOM 206 CA PRO A 206 176.606 223.120 256.600 1.00 0.00 C +ATOM 207 CA PRO A 207 174.584 222.136 259.676 1.00 0.00 C +ATOM 208 CA ASP A 208 173.588 218.497 260.210 1.00 0.00 C +ATOM 209 CA THR A 209 171.426 215.895 258.459 1.00 0.00 C +ATOM 210 CA LEU A 210 171.464 216.045 254.652 1.00 0.00 C +ATOM 211 CA LEU A 211 174.272 217.877 252.841 1.00 0.00 C +ATOM 212 CA ASP A 212 178.053 218.345 252.857 1.00 0.00 C +ATOM 213 CA ARG A 213 179.444 220.067 249.757 1.00 0.00 C +ATOM 214 CA GLU A 214 179.895 222.426 246.798 1.00 0.00 C +ATOM 215 CA ASP A 215 177.191 225.108 246.704 1.00 0.00 C +ATOM 216 CA VAL A 216 175.403 228.447 247.109 1.00 0.00 C +ATOM 217 CA ARG A 217 176.236 231.172 249.639 1.00 0.00 C +ATOM 218 CA THR A 218 178.337 234.221 250.536 1.00 0.00 C +ATOM 219 CA GLN A 219 181.575 235.172 248.768 1.00 0.00 C +ATOM 220 CA GLU A 220 180.783 234.793 245.061 1.00 0.00 C +ATOM 221 CA GLU A 221 182.598 231.662 243.868 1.00 0.00 C +ATOM 222 CA GLU A 222 185.106 231.494 241.005 1.00 0.00 C +ATOM 223 CA ARG A 223 188.761 232.523 240.699 1.00 0.00 C +ATOM 224 CA SER A 224 189.988 231.990 237.131 1.00 0.00 C +ATOM 225 CA PRO A 225 189.492 234.432 234.249 1.00 0.00 C +ATOM 226 CA GLY A 226 190.735 237.961 234.969 1.00 0.00 C +ATOM 227 CA SER A 227 192.858 240.632 233.273 1.00 0.00 C +ATOM 228 CA SER A 228 191.739 244.222 232.663 1.00 0.00 C +ATOM 229 CA GLY A 229 192.081 248.016 232.755 1.00 0.00 C +ATOM 230 CA THR A 230 191.908 250.845 235.301 1.00 0.00 C +ATOM 231 CA SER A 231 189.839 254.009 234.828 1.00 0.00 C +ATOM 232 CA SER A 232 189.461 257.752 235.431 1.00 0.00 C +ATOM 233 CA PRO A 233 190.823 259.771 238.360 1.00 0.00 C +ATOM 234 CA ALA A 234 192.091 263.250 239.261 1.00 0.00 C +ATOM 235 CA LYS A 235 190.503 265.834 236.955 1.00 0.00 C +ATOM 236 CA GLU A 236 188.877 264.997 233.613 1.00 0.00 C +ATOM 237 CA ALA A 237 187.023 263.166 230.833 1.00 0.00 C +ATOM 238 CA LYS A 238 187.690 261.709 227.376 1.00 0.00 C +ATOM 239 CA VAL A 239 188.801 262.940 223.946 1.00 0.00 C +ATOM 240 CA ASN A 240 191.289 261.046 221.769 1.00 0.00 C +ATOM 241 CA PRO A 241 193.288 258.281 223.465 1.00 0.00 C +ATOM 242 CA LEU A 242 192.626 256.958 226.976 1.00 0.00 C +ATOM 243 CA SER A 243 193.199 259.811 229.435 1.00 0.00 C +ATOM 244 CA SER A 244 194.904 259.724 232.841 1.00 0.00 C +ATOM 245 CA ALA A 245 196.938 259.753 236.063 1.00 0.00 C +ATOM 246 CA VAL A 246 199.951 258.571 238.073 1.00 0.00 C +ATOM 247 CA GLU A 247 200.549 258.907 241.821 1.00 0.00 C +ATOM 248 CA GLY A 248 203.792 257.079 242.629 1.00 0.00 C +ATOM 249 CA MET A 249 206.599 254.591 243.301 1.00 0.00 C +ATOM 250 CA SER A 250 206.665 251.473 245.489 1.00 0.00 C +ATOM 251 CA LEU A 251 208.418 248.444 243.983 1.00 0.00 C +ATOM 252 CA ALA A 252 207.244 247.700 240.435 1.00 0.00 C +ATOM 253 CA HIS A 253 205.185 248.461 237.322 1.00 0.00 C +ATOM 254 CA ALA A 254 203.953 246.707 234.172 1.00 0.00 C +TER 255 ALA A 254 +END diff --git a/Fungi/A0A9P6XL98/A0A9P6XL98.dcd b/Fungi/A0A9P6XL98/A0A9P6XL98.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b17bbf1a98b2390417ab86dbda3d181ed9ae2f00 --- /dev/null +++ b/Fungi/A0A9P6XL98/A0A9P6XL98.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b056561dd834ab13d16a789a81428dc7f506d82e43e673b2eeb6597ae79bf52b +size 8720276 diff --git a/Fungi/A0A9P6XL98/top.pdb b/Fungi/A0A9P6XL98/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7caf7e22169ee14857b0dc69a4790ff6ef34f684 --- /dev/null +++ b/Fungi/A0A9P6XL98/top.pdb @@ -0,0 +1,70 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 269.083 251.707 271.816 1.00 0.00 C +ATOM 2 CA TRP A 2 269.519 254.246 269.009 1.00 0.00 C +ATOM 3 CA PRO A 3 272.181 254.442 266.291 1.00 0.00 C +ATOM 4 CA GLN A 4 273.906 257.820 265.926 1.00 0.00 C +ATOM 5 CA ILE A 5 273.917 261.142 267.791 1.00 0.00 C +ATOM 6 CA ARG A 6 275.169 264.524 269.020 1.00 0.00 C +ATOM 7 CA VAL A 7 275.060 267.969 270.643 1.00 0.00 C +ATOM 8 CA TRP A 8 274.124 270.433 273.394 1.00 0.00 C +ATOM 9 CA GLN A 9 271.479 270.155 276.122 1.00 0.00 C +ATOM 10 CA ASN A 10 269.063 267.303 275.383 1.00 0.00 C +ATOM 11 CA THR A 11 270.153 264.281 277.432 1.00 0.00 C +ATOM 12 CA ALA A 12 268.619 264.095 280.915 1.00 0.00 C +ATOM 13 CA THR A 13 265.717 266.557 281.079 1.00 0.00 C +ATOM 14 CA THR A 14 262.567 265.319 279.329 1.00 0.00 C +ATOM 15 CA ALA A 15 260.999 261.957 278.463 1.00 0.00 C +ATOM 16 CA THR A 16 258.752 260.045 276.051 1.00 0.00 C +ATOM 17 CA PRO A 17 258.784 260.629 272.286 1.00 0.00 C +ATOM 18 CA ILE A 18 259.526 260.461 268.553 1.00 0.00 C +ATOM 19 CA ALA A 19 258.375 261.136 264.984 1.00 0.00 C +ATOM 20 CA SER A 20 255.333 259.079 263.969 1.00 0.00 C +ATOM 21 CA ARG A 21 252.622 256.991 262.294 1.00 0.00 C +ATOM 22 CA ALA A 22 250.805 258.009 259.103 1.00 0.00 C +ATOM 23 CA GLU A 23 247.982 255.865 257.708 1.00 0.00 C +ATOM 24 CA ASP A 24 244.369 256.572 258.689 1.00 0.00 C +ATOM 25 CA SER A 25 241.701 259.267 259.052 1.00 0.00 C +ATOM 26 CA PRO A 26 240.168 260.024 255.647 1.00 0.00 C +ATOM 27 CA GLU A 27 240.988 262.449 252.825 1.00 0.00 C +ATOM 28 CA ALA A 28 239.481 263.867 249.626 1.00 0.00 C +ATOM 29 CA SER A 29 236.707 265.140 247.346 1.00 0.00 C +ATOM 30 CA GLN A 30 235.290 262.585 244.901 1.00 0.00 C +ATOM 31 CA ARG A 31 233.898 259.660 246.907 1.00 0.00 C +ATOM 32 CA GLY A 32 231.626 257.150 248.654 1.00 0.00 C +ATOM 33 CA THR A 33 232.311 255.355 251.944 1.00 0.00 C +ATOM 34 CA SER A 34 230.367 255.721 255.200 1.00 0.00 C +ATOM 35 CA GLU A 35 233.042 256.380 257.832 1.00 0.00 C +ATOM 36 CA PRO A 36 236.553 255.092 257.105 1.00 0.00 C +ATOM 37 CA ARG A 37 239.469 252.799 256.236 1.00 0.00 C +ATOM 38 CA PRO A 38 239.876 249.551 258.185 1.00 0.00 C +ATOM 39 CA TYR A 39 240.629 246.033 256.928 1.00 0.00 C +ATOM 40 CA SER A 40 242.534 243.156 255.314 1.00 0.00 C +ATOM 41 CA THR A 41 244.371 240.397 253.436 1.00 0.00 C +ATOM 42 CA ALA A 42 247.249 237.933 253.033 1.00 0.00 C +ATOM 43 CA THR A 43 247.964 237.090 249.387 1.00 0.00 C +ATOM 44 CA ALA A 44 245.823 234.717 247.312 1.00 0.00 C +ATOM 45 CA HIS A 45 242.025 234.500 247.112 1.00 0.00 C +ATOM 46 CA ARG A 46 238.400 233.701 247.971 1.00 0.00 C +ATOM 47 CA PRO A 47 236.365 236.029 245.746 1.00 0.00 C +ATOM 48 CA SER A 48 234.553 236.984 242.533 1.00 0.00 C +ATOM 49 CA HIS A 49 234.594 235.707 238.944 1.00 0.00 C +ATOM 50 CA SER A 50 237.980 235.951 237.213 1.00 0.00 C +ATOM 51 CA HIS A 51 237.188 237.503 233.825 1.00 0.00 C +ATOM 52 CA VAL A 52 239.109 236.108 230.845 1.00 0.00 C +ATOM 53 CA ALA A 53 242.168 236.751 228.666 1.00 0.00 C +ATOM 54 CA ALA A 54 244.005 239.935 227.663 1.00 0.00 C +ATOM 55 CA GLU A 55 246.742 241.906 225.892 1.00 0.00 C +ATOM 56 CA HIS A 56 248.028 241.175 222.381 1.00 0.00 C +ATOM 57 CA GLU A 57 249.579 237.843 221.378 1.00 0.00 C +ATOM 58 CA GLY A 58 246.895 235.165 221.003 1.00 0.00 C +ATOM 59 CA ARG A 59 245.723 232.713 218.333 1.00 0.00 C +ATOM 60 CA GLY A 60 244.007 230.104 216.150 1.00 0.00 C +ATOM 61 CA GLY A 61 246.017 228.872 213.157 1.00 0.00 C +ATOM 62 CA GLN A 62 248.828 231.023 211.748 1.00 0.00 C +ATOM 63 CA GLN A 63 250.521 231.207 208.339 1.00 0.00 C +ATOM 64 CA GLN A 64 253.152 233.527 206.851 1.00 0.00 C +ATOM 65 CA GLN A 65 256.919 234.019 207.141 1.00 0.00 C +ATOM 66 CA GLY A 66 259.051 234.176 203.988 1.00 0.00 C +TER 67 GLY A 66 +END diff --git a/Fungi/A0A9P7BXV2/A0A9P7BXV2.dcd b/Fungi/A0A9P7BXV2/A0A9P7BXV2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..502c93d9b721a8ac4711d8c5db6a55d64c03d078 --- /dev/null +++ b/Fungi/A0A9P7BXV2/A0A9P7BXV2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:032fc6fcef4376d8a69b525d3ae1dbdee5a0ce8486e500f1e67b462e8ad0a474 +size 8840276 diff --git a/Fungi/A0A9P7BXV2/top.pdb b/Fungi/A0A9P7BXV2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f491ba47b150af1457ddd8093b87f95f3ee01796 --- /dev/null +++ b/Fungi/A0A9P7BXV2/top.pdb @@ -0,0 +1,71 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 266.418 235.719 219.484 1.00 0.00 C +ATOM 2 CA HIS A 2 265.027 236.175 215.966 1.00 0.00 C +ATOM 3 CA ALA A 3 262.151 238.644 216.360 1.00 0.00 C +ATOM 4 CA PHE A 4 263.001 242.357 216.280 1.00 0.00 C +ATOM 5 CA SER A 5 263.276 243.768 219.808 1.00 0.00 C +ATOM 6 CA GLN A 6 259.812 245.053 220.741 1.00 0.00 C +ATOM 7 CA SER A 7 258.184 246.458 223.885 1.00 0.00 C +ATOM 8 CA ILE A 8 259.538 246.781 227.432 1.00 0.00 C +ATOM 9 CA LEU A 9 259.818 245.349 230.951 1.00 0.00 C +ATOM 10 CA ARG A 10 262.736 244.181 233.104 1.00 0.00 C +ATOM 11 CA SER A 11 266.167 242.543 232.844 1.00 0.00 C +ATOM 12 CA GLN A 12 267.740 239.074 232.922 1.00 0.00 C +ATOM 13 CA LEU A 13 270.803 236.821 233.156 1.00 0.00 C +ATOM 14 CA GLN A 14 272.163 237.108 236.703 1.00 0.00 C +ATOM 15 CA ALA A 15 269.537 237.195 239.462 1.00 0.00 C +ATOM 16 CA SER A 16 269.366 236.519 243.208 1.00 0.00 C +ATOM 17 CA GLN A 17 267.695 236.099 246.606 1.00 0.00 C +ATOM 18 CA ALA A 18 269.461 233.885 249.154 1.00 0.00 C +ATOM 19 CA ALA A 19 271.240 235.291 252.216 1.00 0.00 C +ATOM 20 CA GLN A 20 268.646 237.479 253.949 1.00 0.00 C +ATOM 21 CA ASP A 21 265.244 239.193 253.909 1.00 0.00 C +ATOM 22 CA ALA A 22 263.953 242.719 253.265 1.00 0.00 C +ATOM 23 CA ARG A 23 260.738 244.743 253.556 1.00 0.00 C +ATOM 24 CA MET A 24 257.675 243.886 251.458 1.00 0.00 C +ATOM 25 CA SER A 25 255.610 242.017 248.858 1.00 0.00 C +ATOM 26 CA SER A 26 253.035 239.381 247.889 1.00 0.00 C +ATOM 27 CA ALA A 27 250.286 237.450 249.684 1.00 0.00 C +ATOM 28 CA TYR A 28 251.441 234.343 251.563 1.00 0.00 C +ATOM 29 CA ARG A 29 254.674 233.758 253.491 1.00 0.00 C +ATOM 30 CA PRO A 30 257.724 235.404 255.074 1.00 0.00 C +ATOM 31 CA ARG A 31 257.219 238.819 256.684 1.00 0.00 C +ATOM 32 CA GLY A 32 255.375 238.172 259.955 1.00 0.00 C +ATOM 33 CA ALA A 33 254.995 237.239 263.629 1.00 0.00 C +ATOM 34 CA ALA A 34 251.458 236.377 264.753 1.00 0.00 C +ATOM 35 CA ARG A 35 248.718 236.130 262.117 1.00 0.00 C +ATOM 36 CA PRO A 36 249.751 236.263 258.453 1.00 0.00 C +ATOM 37 CA GLN A 37 249.757 239.478 256.408 1.00 0.00 C +ATOM 38 CA ALA A 38 247.188 242.289 256.511 1.00 0.00 C +ATOM 39 CA HIS A 39 244.280 242.027 254.064 1.00 0.00 C +ATOM 40 CA ARG A 40 241.241 243.836 255.480 1.00 0.00 C +ATOM 41 CA GLU A 41 237.440 243.749 255.226 1.00 0.00 C +ATOM 42 CA ALA A 42 234.882 246.041 256.876 1.00 0.00 C +ATOM 43 CA PRO A 43 233.007 248.627 258.952 1.00 0.00 C +ATOM 44 CA ASN A 44 234.623 251.371 261.044 1.00 0.00 C +ATOM 45 CA ARG A 45 234.926 255.168 261.137 1.00 0.00 C +ATOM 46 CA HIS A 46 233.046 258.419 261.776 1.00 0.00 C +ATOM 47 CA PRO A 47 232.241 259.983 265.156 1.00 0.00 C +ATOM 48 CA ALA A 48 233.603 263.116 266.844 1.00 0.00 C +ATOM 49 CA SER A 49 235.884 265.947 267.984 1.00 0.00 C +ATOM 50 CA LEU A 50 235.200 269.219 269.812 1.00 0.00 C +ATOM 51 CA PRO A 51 232.774 271.308 267.747 1.00 0.00 C +ATOM 52 CA PRO A 52 232.720 270.089 264.138 1.00 0.00 C +ATOM 53 CA ASN A 53 233.525 267.278 261.695 1.00 0.00 C +ATOM 54 CA VAL A 54 236.620 266.426 259.643 1.00 0.00 C +ATOM 55 CA ARG A 55 240.148 265.377 260.629 1.00 0.00 C +ATOM 56 CA GLY A 56 242.056 262.636 258.796 1.00 0.00 C +ATOM 57 CA ASP A 57 241.921 263.684 255.135 1.00 0.00 C +ATOM 58 CA LEU A 58 243.300 265.411 252.032 1.00 0.00 C +ATOM 59 CA ASP A 59 245.449 268.553 252.196 1.00 0.00 C +ATOM 60 CA GLU A 60 243.169 271.533 251.535 1.00 0.00 C +ATOM 61 CA ILE A 61 239.828 273.356 251.348 1.00 0.00 C +ATOM 62 CA GLU A 62 236.244 272.303 252.096 1.00 0.00 C +ATOM 63 CA VAL A 63 233.050 273.356 253.887 1.00 0.00 C +ATOM 64 CA PRO A 64 231.058 276.496 254.716 1.00 0.00 C +ATOM 65 CA GLN A 65 228.876 278.082 257.406 1.00 0.00 C +ATOM 66 CA GLU A 66 230.107 281.423 258.763 1.00 0.00 C +ATOM 67 CA ARG A 67 231.159 281.024 262.403 1.00 0.00 C +TER 68 ARG A 67 +END diff --git a/Fungi/A0A9P7BYR1/A0A9P7BYR1.dcd b/Fungi/A0A9P7BYR1/A0A9P7BYR1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..ca1137d1f64be1c9a1eaedd28bef6ea0e050dca3 --- /dev/null +++ b/Fungi/A0A9P7BYR1/A0A9P7BYR1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3d11e85dc4e89dae7d83e609f9ecb3585c6dc6d4b0f6a97348853584817b439b +size 10880276 diff --git a/Fungi/A0A9P7BYR1/top.pdb b/Fungi/A0A9P7BYR1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2365045e24c93bea6fa27db84a55fd84d444dc3c --- /dev/null +++ b/Fungi/A0A9P7BYR1/top.pdb @@ -0,0 +1,88 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 216.613 260.602 225.315 1.00 0.00 C +ATOM 2 CA PRO A 2 214.336 258.673 227.684 1.00 0.00 C +ATOM 3 CA THR A 3 214.427 255.330 229.509 1.00 0.00 C +ATOM 4 CA PRO A 4 216.917 252.720 228.284 1.00 0.00 C +ATOM 5 CA CYS A 5 220.555 251.664 228.695 1.00 0.00 C +ATOM 6 CA ALA A 6 223.318 254.214 229.311 1.00 0.00 C +ATOM 7 CA THR A 7 225.214 256.455 226.881 1.00 0.00 C +ATOM 8 CA ALA A 8 227.496 259.472 227.331 1.00 0.00 C +ATOM 9 CA ALA A 9 225.770 261.612 229.969 1.00 0.00 C +ATOM 10 CA SER A 10 224.914 260.846 233.601 1.00 0.00 C +ATOM 11 CA LEU A 11 227.429 261.527 236.381 1.00 0.00 C +ATOM 12 CA THR A 12 226.815 261.663 240.139 1.00 0.00 C +ATOM 13 CA ASN A 13 225.603 261.418 243.743 1.00 0.00 C +ATOM 14 CA SER A 14 225.070 264.759 245.494 1.00 0.00 C +ATOM 15 CA THR A 15 226.021 268.286 246.577 1.00 0.00 C +ATOM 16 CA PRO A 16 227.723 271.368 248.033 1.00 0.00 C +ATOM 17 CA THR A 17 231.233 272.203 249.257 1.00 0.00 C +ATOM 18 CA PRO A 18 233.893 271.023 251.716 1.00 0.00 C +ATOM 19 CA ASN A 19 234.979 267.371 251.768 1.00 0.00 C +ATOM 20 CA ASP A 20 234.895 265.456 255.060 1.00 0.00 C +ATOM 21 CA PRO A 21 238.182 265.946 256.922 1.00 0.00 C +ATOM 22 CA ASP A 22 240.457 267.634 259.471 1.00 0.00 C +ATOM 23 CA LEU A 23 240.948 271.370 260.032 1.00 0.00 C +ATOM 24 CA GLN A 24 241.015 273.505 256.878 1.00 0.00 C +ATOM 25 CA ARG A 25 242.087 276.693 255.088 1.00 0.00 C +ATOM 26 CA ALA A 26 245.227 278.246 253.588 1.00 0.00 C +ATOM 27 CA ARG A 27 248.592 277.924 255.345 1.00 0.00 C +ATOM 28 CA ARG A 28 251.333 275.742 253.846 1.00 0.00 C +ATOM 29 CA THR A 29 254.885 275.270 252.553 1.00 0.00 C +ATOM 30 CA ALA A 30 257.167 273.173 250.337 1.00 0.00 C +ATOM 31 CA ARG A 31 258.202 272.741 246.696 1.00 0.00 C +ATOM 32 CA ALA A 32 258.218 271.712 243.028 1.00 0.00 C +ATOM 33 CA ASP A 33 259.062 268.022 242.593 1.00 0.00 C +ATOM 34 CA ARG A 34 260.888 264.680 242.511 1.00 0.00 C +ATOM 35 CA PRO A 35 259.549 261.544 240.811 1.00 0.00 C +ATOM 36 CA VAL A 36 260.775 257.941 240.996 1.00 0.00 C +ATOM 37 CA GLU A 37 260.171 255.927 237.819 1.00 0.00 C +ATOM 38 CA ALA A 38 259.289 256.376 234.140 1.00 0.00 C +ATOM 39 CA ARG A 39 259.062 260.105 233.394 1.00 0.00 C +ATOM 40 CA ARG A 40 257.302 263.236 232.120 1.00 0.00 C +ATOM 41 CA PRO A 41 259.344 264.338 229.098 1.00 0.00 C +ATOM 42 CA ALA A 42 260.106 264.290 225.366 1.00 0.00 C +ATOM 43 CA ARG A 43 259.453 262.040 222.361 1.00 0.00 C +ATOM 44 CA GLY A 44 259.791 258.529 220.921 1.00 0.00 C +ATOM 45 CA ILE A 45 259.880 255.070 222.515 1.00 0.00 C +ATOM 46 CA GLY A 46 260.037 251.506 221.176 1.00 0.00 C +ATOM 47 CA ALA A 47 261.477 248.031 221.777 1.00 0.00 C +ATOM 48 CA ASP A 48 260.131 246.113 224.781 1.00 0.00 C +ATOM 49 CA HIS A 49 260.422 247.736 228.216 1.00 0.00 C +ATOM 50 CA GLY A 50 259.211 249.545 231.343 1.00 0.00 C +ATOM 51 CA GLN A 51 261.133 248.469 234.451 1.00 0.00 C +ATOM 52 CA PRO A 52 262.018 246.491 237.585 1.00 0.00 C +ATOM 53 CA ALA A 53 262.441 242.768 236.896 1.00 0.00 C +ATOM 54 CA TRP A 54 263.374 239.609 238.811 1.00 0.00 C +ATOM 55 CA ARG A 55 262.444 240.067 242.477 1.00 0.00 C +ATOM 56 CA PRO A 56 264.546 239.946 245.652 1.00 0.00 C +ATOM 57 CA SER A 57 266.480 240.706 248.845 1.00 0.00 C +ATOM 58 CA PHE A 58 268.317 238.715 251.525 1.00 0.00 C +ATOM 59 CA ALA A 59 266.257 237.242 254.372 1.00 0.00 C +ATOM 60 CA GLY A 60 264.036 235.542 256.959 1.00 0.00 C +ATOM 61 CA ASP A 61 262.965 232.543 259.050 1.00 0.00 C +ATOM 62 CA PRO A 62 259.215 232.111 259.563 1.00 0.00 C +ATOM 63 CA GLY A 63 256.887 234.396 257.595 1.00 0.00 C +ATOM 64 CA ALA A 64 255.666 237.292 259.747 1.00 0.00 C +ATOM 65 CA PRO A 65 254.695 238.769 263.123 1.00 0.00 C +ATOM 66 CA VAL A 66 252.599 236.157 264.940 1.00 0.00 C +ATOM 67 CA ARG A 67 254.846 234.000 267.134 1.00 0.00 C +ATOM 68 CA ARG A 68 258.308 233.340 268.581 1.00 0.00 C +ATOM 69 CA GLN A 69 260.830 230.691 267.515 1.00 0.00 C +ATOM 70 CA GLY A 70 259.059 227.372 268.116 1.00 0.00 C +ATOM 71 CA GLY A 71 261.271 224.699 269.692 1.00 0.00 C +ATOM 72 CA GLY A 72 263.976 223.762 272.206 1.00 0.00 C +ATOM 73 CA GLU A 73 265.718 222.628 275.399 1.00 0.00 C +ATOM 74 CA HIS A 74 267.182 223.447 278.820 1.00 0.00 C +ATOM 75 CA LEU A 75 264.779 222.935 281.732 1.00 0.00 C +ATOM 76 CA ARG A 76 262.683 219.807 282.313 1.00 0.00 C +ATOM 77 CA GLN A 77 262.655 219.156 286.067 1.00 0.00 C +ATOM 78 CA PRO A 78 261.167 215.854 287.252 1.00 0.00 C +ATOM 79 CA ASP A 79 257.463 215.320 287.967 1.00 0.00 C +ATOM 80 CA PRO A 80 255.686 218.202 289.713 1.00 0.00 C +ATOM 81 CA VAL A 81 252.513 220.134 290.557 1.00 0.00 C +ATOM 82 CA ARG A 82 249.864 222.854 290.232 1.00 0.00 C +ATOM 83 CA PRO A 83 250.397 226.270 288.632 1.00 0.00 C +ATOM 84 CA GLN A 84 253.050 227.056 286.014 1.00 0.00 C +TER 85 GLN A 84 +END diff --git a/Fungi/A0A9P7C2J5/A0A9P7C2J5.dcd b/Fungi/A0A9P7C2J5/A0A9P7C2J5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..37db704c0919085b3887db8f635b41098e2f8c7e --- /dev/null +++ b/Fungi/A0A9P7C2J5/A0A9P7C2J5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f98e3b7caa68abf3301849223fddf01f47112e8a194794c786796732306fa3f5 +size 16880276 diff --git a/Fungi/A0A9P7C2J5/top.pdb b/Fungi/A0A9P7C2J5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..fc9c8db226c57f35fa3e044cd4f7cd873a81ab96 --- /dev/null +++ b/Fungi/A0A9P7C2J5/top.pdb @@ -0,0 +1,138 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 236.251 252.650 164.424 1.00 0.00 C +ATOM 2 CA PRO A 2 238.164 251.652 167.565 1.00 0.00 C +ATOM 3 CA SER A 3 240.197 254.361 169.310 1.00 0.00 C +ATOM 4 CA SER A 4 238.846 255.612 172.646 1.00 0.00 C +ATOM 5 CA THR A 5 238.423 253.085 175.465 1.00 0.00 C +ATOM 6 CA GLY A 6 237.177 249.777 176.889 1.00 0.00 C +ATOM 7 CA SER A 7 239.673 246.994 177.624 1.00 0.00 C +ATOM 8 CA THR A 8 243.232 245.887 176.834 1.00 0.00 C +ATOM 9 CA LYS A 9 245.438 245.102 173.828 1.00 0.00 C +ATOM 10 CA CYS A 10 246.263 248.470 172.249 1.00 0.00 C +ATOM 11 CA SER A 11 248.839 251.277 172.298 1.00 0.00 C +ATOM 12 CA ALA A 12 252.431 250.906 173.512 1.00 0.00 C +ATOM 13 CA GLN A 13 253.903 249.506 176.736 1.00 0.00 C +ATOM 14 CA GLN A 14 256.863 250.319 178.993 1.00 0.00 C +ATOM 15 CA HIS A 15 260.359 249.254 180.070 1.00 0.00 C +ATOM 16 CA ARG A 16 260.442 249.150 183.878 1.00 0.00 C +ATOM 17 CA GLN A 17 263.714 250.578 185.207 1.00 0.00 C +ATOM 18 CA HIS A 18 263.628 254.067 186.736 1.00 0.00 C +ATOM 19 CA HIS A 19 265.767 257.219 186.706 1.00 0.00 C +ATOM 20 CA GLN A 20 268.279 257.714 189.527 1.00 0.00 C +ATOM 21 CA PRO A 21 271.105 255.605 190.970 1.00 0.00 C +ATOM 22 CA PRO A 22 270.109 252.230 192.431 1.00 0.00 C +ATOM 23 CA GLU A 23 269.893 252.668 196.210 1.00 0.00 C +ATOM 24 CA ARG A 24 267.735 255.606 197.316 1.00 0.00 C +ATOM 25 CA GLY A 25 265.617 256.050 200.452 1.00 0.00 C +ATOM 26 CA ARG A 26 262.206 255.567 202.078 1.00 0.00 C +ATOM 27 CA HIS A 27 258.916 256.297 203.855 1.00 0.00 C +ATOM 28 CA VAL A 28 255.800 257.540 205.662 1.00 0.00 C +ATOM 29 CA ASP A 29 253.734 259.063 208.478 1.00 0.00 C +ATOM 30 CA ALA A 30 255.509 258.299 211.761 1.00 0.00 C +ATOM 31 CA GLN A 31 257.224 259.392 214.983 1.00 0.00 C +ATOM 32 CA PRO A 32 258.999 261.335 217.738 1.00 0.00 C +ATOM 33 CA PRO A 33 262.209 260.231 219.469 1.00 0.00 C +ATOM 34 CA ALA A 34 262.972 259.379 223.103 1.00 0.00 C +ATOM 35 CA GLY A 35 265.999 259.545 225.412 1.00 0.00 C +ATOM 36 CA GLN A 36 268.096 260.679 228.384 1.00 0.00 C +ATOM 37 CA ALA A 37 271.832 260.158 228.916 1.00 0.00 C +ATOM 38 CA GLY A 38 272.141 257.929 231.991 1.00 0.00 C +ATOM 39 CA ARG A 39 272.333 257.803 235.794 1.00 0.00 C +ATOM 40 CA ALA A 40 274.771 259.649 238.066 1.00 0.00 C +ATOM 41 CA GLN A 41 278.115 261.466 237.892 1.00 0.00 C +ATOM 42 CA ALA A 42 281.113 262.403 240.049 1.00 0.00 C +ATOM 43 CA GLY A 43 280.978 262.434 243.856 1.00 0.00 C +ATOM 44 CA LEU A 44 280.565 265.990 245.161 1.00 0.00 C +ATOM 45 CA GLY A 45 278.250 266.020 248.187 1.00 0.00 C +ATOM 46 CA GLY A 46 277.731 269.452 249.757 1.00 0.00 C +ATOM 47 CA GLY A 47 275.040 271.314 247.804 1.00 0.00 C +ATOM 48 CA ASN A 48 272.090 273.381 249.044 1.00 0.00 C +ATOM 49 CA LEU A 49 268.775 272.622 247.326 1.00 0.00 C +ATOM 50 CA PHE A 50 266.345 275.235 248.662 1.00 0.00 C +ATOM 51 CA GLN A 51 265.355 277.170 251.791 1.00 0.00 C +ATOM 52 CA ARG A 52 268.052 276.675 254.436 1.00 0.00 C +ATOM 53 CA GLY A 53 268.944 273.042 255.155 1.00 0.00 C +ATOM 54 CA ARG A 54 271.407 271.093 257.312 1.00 0.00 C +ATOM 55 CA THR A 55 273.270 271.149 260.635 1.00 0.00 C +ATOM 56 CA ARG A 56 276.850 272.071 261.553 1.00 0.00 C +ATOM 57 CA SER A 57 279.709 271.724 259.057 1.00 0.00 C +ATOM 58 CA VAL A 58 282.518 269.551 260.435 1.00 0.00 C +ATOM 59 CA ILE A 59 282.877 266.060 261.920 1.00 0.00 C +ATOM 60 CA GLY A 60 280.056 263.880 260.577 1.00 0.00 C +ATOM 61 CA LEU A 61 276.521 265.282 260.339 1.00 0.00 C +ATOM 62 CA ALA A 62 273.992 262.905 261.910 1.00 0.00 C +ATOM 63 CA ILE A 63 272.130 264.232 264.957 1.00 0.00 C +ATOM 64 CA GLY A 64 270.600 266.793 267.327 1.00 0.00 C +ATOM 65 CA GLY A 65 267.498 268.738 266.275 1.00 0.00 C +ATOM 66 CA GLN A 66 264.801 266.636 264.595 1.00 0.00 C +ATOM 67 CA ARG A 67 262.367 263.710 264.779 1.00 0.00 C +ATOM 68 CA ASP A 68 260.643 260.712 266.376 1.00 0.00 C +ATOM 69 CA ALA A 69 262.604 257.465 266.735 1.00 0.00 C +ATOM 70 CA PRO A 70 260.304 254.725 268.046 1.00 0.00 C +ATOM 71 CA ARG A 71 256.584 255.548 268.054 1.00 0.00 C +ATOM 72 CA GLY A 72 254.440 254.753 271.101 1.00 0.00 C +ATOM 73 CA ALA A 73 251.336 256.921 270.679 1.00 0.00 C +ATOM 74 CA MET A 74 248.135 255.413 272.092 1.00 0.00 C +ATOM 75 CA GLU A 75 248.590 252.157 274.018 1.00 0.00 C +ATOM 76 CA GLN A 76 249.283 249.031 271.954 1.00 0.00 C +ATOM 77 CA ALA A 77 251.908 247.121 273.948 1.00 0.00 C +ATOM 78 CA HIS A 78 250.190 246.292 277.245 1.00 0.00 C +ATOM 79 CA ALA A 79 246.394 245.969 277.172 1.00 0.00 C +ATOM 80 CA GLN A 80 244.466 242.850 276.137 1.00 0.00 C +ATOM 81 CA PRO A 81 241.687 241.851 273.729 1.00 0.00 C +ATOM 82 CA ARG A 82 243.217 239.142 271.530 1.00 0.00 C +ATOM 83 CA PHE A 83 240.843 236.586 269.999 1.00 0.00 C +ATOM 84 CA GLN A 84 237.172 235.676 269.538 1.00 0.00 C +ATOM 85 CA PRO A 85 233.585 236.789 270.183 1.00 0.00 C +ATOM 86 CA GLY A 86 231.985 238.365 267.105 1.00 0.00 C +ATOM 87 CA ASP A 87 233.970 237.567 263.953 1.00 0.00 C +ATOM 88 CA GLY A 88 234.993 234.490 261.953 1.00 0.00 C +ATOM 89 CA LEU A 89 236.614 231.621 263.865 1.00 0.00 C +ATOM 90 CA ALA A 90 235.684 227.964 263.340 1.00 0.00 C +ATOM 91 CA HIS A 91 237.922 225.306 261.776 1.00 0.00 C +ATOM 92 CA GLY A 92 240.644 224.568 259.215 1.00 0.00 C +ATOM 93 CA ARG A 93 241.802 227.851 257.666 1.00 0.00 C +ATOM 94 CA ALA A 94 239.235 230.666 257.753 1.00 0.00 C +ATOM 95 CA ARG A 95 240.998 233.609 259.409 1.00 0.00 C +ATOM 96 CA ASP A 96 244.147 232.531 261.263 1.00 0.00 C +ATOM 97 CA ALA A 97 246.876 233.133 263.853 1.00 0.00 C +ATOM 98 CA GLN A 98 246.078 231.226 267.053 1.00 0.00 C +ATOM 99 CA ARG A 99 247.757 229.501 270.006 1.00 0.00 C +ATOM 100 CA ILE A 100 246.658 226.685 272.325 1.00 0.00 C +ATOM 101 CA GLY A 101 244.337 223.736 272.983 1.00 0.00 C +ATOM 102 CA GLY A 102 241.883 221.199 271.548 1.00 0.00 C +ATOM 103 CA LEU A 103 238.280 222.433 271.667 1.00 0.00 C +ATOM 104 CA GLY A 104 236.186 222.517 274.849 1.00 0.00 C +ATOM 105 CA GLU A 105 234.158 223.072 278.027 1.00 0.00 C +ATOM 106 CA THR A 106 231.885 226.125 277.871 1.00 0.00 C +ATOM 107 CA ALA A 107 228.255 225.040 278.269 1.00 0.00 C +ATOM 108 CA ARG A 108 226.052 225.316 281.366 1.00 0.00 C +ATOM 109 CA ALA A 109 225.102 223.311 284.463 1.00 0.00 C +ATOM 110 CA GLY A 110 221.684 224.607 285.535 1.00 0.00 C +ATOM 111 CA ARG A 111 217.914 224.591 286.088 1.00 0.00 C +ATOM 112 CA GLY A 112 214.205 225.062 285.356 1.00 0.00 C +ATOM 113 CA ASP A 113 210.918 225.658 287.188 1.00 0.00 C +ATOM 114 CA GLU A 114 211.043 228.522 289.698 1.00 0.00 C +ATOM 115 CA ARG A 115 213.145 231.550 288.735 1.00 0.00 C +ATOM 116 CA ASP A 116 216.047 233.989 288.348 1.00 0.00 C +ATOM 117 CA GLN A 117 219.112 235.211 290.253 1.00 0.00 C +ATOM 118 CA ALA A 118 222.116 237.072 291.675 1.00 0.00 C +ATOM 119 CA ILE A 119 222.363 238.452 295.218 1.00 0.00 C +ATOM 120 CA GLN A 120 221.208 239.332 298.741 1.00 0.00 C +ATOM 121 CA GLY A 121 221.126 241.258 302.027 1.00 0.00 C +ATOM 122 CA PHE A 122 221.845 244.894 302.909 1.00 0.00 C +ATOM 123 CA GLN A 123 222.099 248.670 303.355 1.00 0.00 C +ATOM 124 CA ARG A 124 221.305 252.297 304.206 1.00 0.00 C +ATOM 125 CA GLN A 125 221.814 254.091 307.529 1.00 0.00 C +ATOM 126 CA HIS A 126 225.329 254.962 308.713 1.00 0.00 C +ATOM 127 CA LEU A 127 227.627 257.164 310.808 1.00 0.00 C +ATOM 128 CA GLN A 128 229.727 260.152 309.724 1.00 0.00 C +ATOM 129 CA SER A 129 233.513 260.342 309.340 1.00 0.00 C +ATOM 130 CA LEU A 130 236.422 260.328 306.880 1.00 0.00 C +ATOM 131 CA ILE A 131 239.067 258.210 305.136 1.00 0.00 C +ATOM 132 CA ARG A 132 242.287 260.240 304.967 1.00 0.00 C +ATOM 133 CA ASP A 133 242.809 263.625 303.300 1.00 0.00 C +ATOM 134 CA LYS A 134 241.354 263.250 299.799 1.00 0.00 C +TER 135 LYS A 134 +END diff --git a/Fungi/A0A9P7EI77/A0A9P7EI77.dcd b/Fungi/A0A9P7EI77/A0A9P7EI77.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f71946dd38dbfbba9fad19a367a294db0c03f159 --- /dev/null +++ b/Fungi/A0A9P7EI77/A0A9P7EI77.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:07865ff962f714936c444751954bd2531ca0313bc03ac0c3793a774e28e2d809 +size 19520276 diff --git a/Fungi/A0A9P7EI77/top.pdb b/Fungi/A0A9P7EI77/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..87cf3a4c2845f75e999a8bd919afb3d175b87606 --- /dev/null +++ b/Fungi/A0A9P7EI77/top.pdb @@ -0,0 +1,160 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 256.950 211.780 289.759 1.00 0.00 C +ATOM 2 CA ALA A 2 258.153 210.998 286.230 1.00 0.00 C +ATOM 3 CA ALA A 3 259.880 211.026 282.834 1.00 0.00 C +ATOM 4 CA GLN A 4 258.989 212.891 279.633 1.00 0.00 C +ATOM 5 CA GLY A 5 259.758 210.827 276.524 1.00 0.00 C +ATOM 6 CA ARG A 6 259.308 211.998 272.927 1.00 0.00 C +ATOM 7 CA GLU A 7 257.710 213.294 269.720 1.00 0.00 C +ATOM 8 CA TYR A 8 256.085 215.153 266.818 1.00 0.00 C +ATOM 9 CA THR A 9 254.346 218.270 265.486 1.00 0.00 C +ATOM 10 CA SER A 10 251.525 220.244 267.118 1.00 0.00 C +ATOM 11 CA ALA A 11 252.129 222.863 269.819 1.00 0.00 C +ATOM 12 CA PRO A 12 252.079 224.818 273.089 1.00 0.00 C +ATOM 13 CA ALA A 13 249.835 227.896 272.977 1.00 0.00 C +ATOM 14 CA ASP A 14 250.442 231.510 271.933 1.00 0.00 C +ATOM 15 CA GLY A 15 252.186 234.620 273.276 1.00 0.00 C +ATOM 16 CA SER A 16 253.359 237.883 271.697 1.00 0.00 C +ATOM 17 CA ARG A 17 251.386 238.365 268.473 1.00 0.00 C +ATOM 18 CA THR A 18 247.784 237.522 267.562 1.00 0.00 C +ATOM 19 CA ILE A 19 245.887 240.787 268.068 1.00 0.00 C +ATOM 20 CA THR A 20 242.593 242.592 267.432 1.00 0.00 C +ATOM 21 CA LEU A 21 241.151 243.714 264.089 1.00 0.00 C +ATOM 22 CA HIS A 22 240.461 246.030 261.143 1.00 0.00 C +ATOM 23 CA ASP A 23 237.782 245.708 258.453 1.00 0.00 C +ATOM 24 CA SER A 24 234.044 245.296 259.069 1.00 0.00 C +ATOM 25 CA GLN A 25 232.694 248.253 261.056 1.00 0.00 C +ATOM 26 CA PRO A 26 229.251 249.803 261.562 1.00 0.00 C +ATOM 27 CA ARG A 27 226.528 248.001 259.598 1.00 0.00 C +ATOM 28 CA PRO A 28 225.193 249.155 256.222 1.00 0.00 C +ATOM 29 CA GLU A 29 221.556 249.080 255.088 1.00 0.00 C +ATOM 30 CA ASP A 30 220.694 248.366 251.447 1.00 0.00 C +ATOM 31 CA ASP A 31 220.031 247.393 247.823 1.00 0.00 C +ATOM 32 CA ALA A 32 217.967 245.088 245.600 1.00 0.00 C +ATOM 33 CA SER A 33 217.858 243.313 242.230 1.00 0.00 C +ATOM 34 CA GLN A 34 216.483 245.014 239.110 1.00 0.00 C +ATOM 35 CA PRO A 35 216.443 246.157 235.475 1.00 0.00 C +ATOM 36 CA VAL A 36 216.912 249.556 233.819 1.00 0.00 C +ATOM 37 CA VAL A 37 220.622 250.081 233.128 1.00 0.00 C +ATOM 38 CA VAL A 38 222.927 253.114 233.048 1.00 0.00 C +ATOM 39 CA GLY A 39 225.598 254.205 235.536 1.00 0.00 C +ATOM 40 CA THR A 40 226.704 255.681 238.870 1.00 0.00 C +ATOM 41 CA LEU A 41 228.287 257.980 241.463 1.00 0.00 C +ATOM 42 CA ARG A 42 227.358 258.962 245.026 1.00 0.00 C +ATOM 43 CA LEU A 43 229.596 259.076 248.107 1.00 0.00 C +ATOM 44 CA ARG A 44 229.072 259.433 251.864 1.00 0.00 C +ATOM 45 CA GLY A 45 230.071 256.351 253.870 1.00 0.00 C +ATOM 46 CA GLU A 46 233.389 255.525 255.550 1.00 0.00 C +ATOM 47 CA PRO A 47 237.146 255.856 256.092 1.00 0.00 C +ATOM 48 CA ARG A 48 237.916 259.389 257.292 1.00 0.00 C +ATOM 49 CA LYS A 49 237.471 262.140 254.695 1.00 0.00 C +ATOM 50 CA THR A 50 239.820 264.271 252.583 1.00 0.00 C +ATOM 51 CA ARG A 51 243.519 263.880 253.408 1.00 0.00 C +ATOM 52 CA GLN A 52 245.732 264.917 256.330 1.00 0.00 C +ATOM 53 CA ARG A 53 244.509 266.620 259.512 1.00 0.00 C +ATOM 54 CA VAL A 54 240.985 266.363 260.935 1.00 0.00 C +ATOM 55 CA ALA A 55 238.635 269.080 259.668 1.00 0.00 C +ATOM 56 CA TRP A 56 238.944 272.269 257.605 1.00 0.00 C +ATOM 57 CA ASP A 57 237.620 275.343 259.425 1.00 0.00 C +ATOM 58 CA GLU A 58 238.585 276.745 262.834 1.00 0.00 C +ATOM 59 CA ASP A 59 241.767 275.497 264.516 1.00 0.00 C +ATOM 60 CA VAL A 60 245.290 276.607 263.580 1.00 0.00 C +ATOM 61 CA ILE A 61 248.683 277.420 262.050 1.00 0.00 C +ATOM 62 CA ASP A 62 248.367 278.637 258.453 1.00 0.00 C +ATOM 63 CA ASN A 63 248.583 275.642 256.109 1.00 0.00 C +ATOM 64 CA GLU A 64 251.270 273.022 255.449 1.00 0.00 C +ATOM 65 CA GLY A 65 254.163 270.851 254.253 1.00 0.00 C +ATOM 66 CA SER A 66 252.507 267.641 253.040 1.00 0.00 C +ATOM 67 CA GLY A 67 255.054 264.910 252.286 1.00 0.00 C +ATOM 68 CA LYS A 68 254.027 262.950 249.185 1.00 0.00 C +ATOM 69 CA LYS A 69 252.945 259.297 249.121 1.00 0.00 C +ATOM 70 CA LYS A 70 249.395 257.924 249.281 1.00 0.00 C +ATOM 71 CA SER A 71 248.343 255.348 246.678 1.00 0.00 C +ATOM 72 CA LYS A 72 246.845 256.722 243.455 1.00 0.00 C +ATOM 73 CA ILE A 73 249.089 259.272 241.730 1.00 0.00 C +ATOM 74 CA CYS A 74 252.824 259.686 242.359 1.00 0.00 C +ATOM 75 CA CYS A 75 254.716 259.299 239.075 1.00 0.00 C +ATOM 76 CA ILE A 76 256.835 262.410 238.480 1.00 0.00 C +ATOM 77 CA TYR A 77 257.346 265.662 236.563 1.00 0.00 C +ATOM 78 CA HIS A 78 258.750 265.286 233.041 1.00 0.00 C +ATOM 79 CA LYS A 79 260.933 262.309 232.097 1.00 0.00 C +ATOM 80 CA PRO A 80 264.675 262.622 232.742 1.00 0.00 C +ATOM 81 CA ARG A 81 266.190 264.495 229.790 1.00 0.00 C +ATOM 82 CA ARG A 82 264.589 267.498 228.075 1.00 0.00 C +ATOM 83 CA PHE A 83 263.063 270.097 230.406 1.00 0.00 C +ATOM 84 CA ASP A 84 264.687 271.723 233.445 1.00 0.00 C +ATOM 85 CA GLU A 85 264.726 269.447 236.501 1.00 0.00 C +ATOM 86 CA SER A 86 261.498 269.892 238.475 1.00 0.00 C +ATOM 87 CA SER A 87 259.099 270.593 241.351 1.00 0.00 C +ATOM 88 CA ASP A 88 258.425 270.705 245.099 1.00 0.00 C +ATOM 89 CA GLU A 89 257.775 270.581 248.851 1.00 0.00 C +ATOM 90 CA GLU A 90 260.538 272.527 250.609 1.00 0.00 C +ATOM 91 CA SER A 91 264.036 272.913 252.069 1.00 0.00 C +ATOM 92 CA SER A 92 267.078 271.222 253.619 1.00 0.00 C +ATOM 93 CA GLY A 93 270.423 272.473 252.292 1.00 0.00 C +ATOM 94 CA SER A 94 269.966 276.228 251.843 1.00 0.00 C +ATOM 95 CA ASP A 95 271.268 279.715 251.027 1.00 0.00 C +ATOM 96 CA SER A 96 269.555 280.984 247.870 1.00 0.00 C +ATOM 97 CA ASP A 97 267.224 279.562 245.213 1.00 0.00 C +ATOM 98 CA SER A 98 267.159 277.348 242.113 1.00 0.00 C +ATOM 99 CA ASP A 99 270.663 275.869 241.904 1.00 0.00 C +ATOM 100 CA CYS A 100 272.196 272.447 241.227 1.00 0.00 C +ATOM 101 CA GLN A 101 272.393 270.082 238.246 1.00 0.00 C +ATOM 102 CA HIS A 102 270.063 267.125 238.825 1.00 0.00 C +ATOM 103 CA SER A 103 269.309 264.097 236.639 1.00 0.00 C +ATOM 104 CA ASN A 104 266.815 261.820 238.404 1.00 0.00 C +ATOM 105 CA CYS A 105 264.596 260.889 241.358 1.00 0.00 C +ATOM 106 CA PRO A 106 263.234 264.011 243.065 1.00 0.00 C +ATOM 107 CA ARG A 107 264.171 264.143 246.756 1.00 0.00 C +ATOM 108 CA GLN A 108 267.082 262.154 248.200 1.00 0.00 C +ATOM 109 CA ARG A 109 269.953 260.040 246.859 1.00 0.00 C +ATOM 110 CA ARG A 110 271.218 261.292 243.490 1.00 0.00 C +ATOM 111 CA MET A 111 272.754 258.634 241.233 1.00 0.00 C +ATOM 112 CA HIS A 112 273.538 257.924 237.573 1.00 0.00 C +ATOM 113 CA HIS A 113 273.725 255.651 234.521 1.00 0.00 C +ATOM 114 CA PRO A 114 270.995 253.005 234.766 1.00 0.00 C +ATOM 115 CA GLU A 115 269.072 251.162 237.491 1.00 0.00 C +ATOM 116 CA GLY A 116 266.483 248.880 239.106 1.00 0.00 C +ATOM 117 CA ASP A 117 263.335 246.894 238.292 1.00 0.00 C +ATOM 118 CA GLY A 118 260.500 245.595 236.104 1.00 0.00 C +ATOM 119 CA HIS A 119 257.534 243.579 234.815 1.00 0.00 C +ATOM 120 CA SER A 120 258.069 241.074 231.994 1.00 0.00 C +ATOM 121 CA ASN A 121 258.386 240.922 228.201 1.00 0.00 C +ATOM 122 CA GLY A 122 258.822 243.568 225.494 1.00 0.00 C +ATOM 123 CA LEU A 123 259.520 247.307 225.274 1.00 0.00 C +ATOM 124 CA ALA A 124 262.968 247.749 226.833 1.00 0.00 C +ATOM 125 CA ARG A 125 265.407 249.717 229.000 1.00 0.00 C +ATOM 126 CA ARG A 126 263.459 252.090 231.256 1.00 0.00 C +ATOM 127 CA ASP A 127 262.108 254.956 233.372 1.00 0.00 C +ATOM 128 CA ALA A 128 258.798 254.255 235.124 1.00 0.00 C +ATOM 129 CA PRO A 129 256.197 252.856 237.532 1.00 0.00 C +ATOM 130 CA HIS A 130 257.516 250.497 240.217 1.00 0.00 C +ATOM 131 CA ARG A 131 255.620 247.290 241.014 1.00 0.00 C +ATOM 132 CA GLY A 132 254.693 243.606 240.719 1.00 0.00 C +ATOM 133 CA VAL A 133 253.835 240.068 239.596 1.00 0.00 C +ATOM 134 CA ILE A 134 250.235 239.121 240.410 1.00 0.00 C +ATOM 135 CA HIS A 135 248.321 236.346 242.185 1.00 0.00 C +ATOM 136 CA GLU A 136 247.301 236.955 245.805 1.00 0.00 C +ATOM 137 CA VAL A 137 250.186 238.664 247.613 1.00 0.00 C +ATOM 138 CA GLU A 138 253.462 240.192 248.819 1.00 0.00 C +ATOM 139 CA GLU A 139 254.819 237.651 251.312 1.00 0.00 C +ATOM 140 CA ALA A 140 252.873 237.837 254.582 1.00 0.00 C +ATOM 141 CA GLY A 141 249.658 235.801 254.764 1.00 0.00 C +ATOM 142 CA SER A 142 249.888 232.071 255.504 1.00 0.00 C +ATOM 143 CA SER A 143 247.739 229.042 254.651 1.00 0.00 C +ATOM 144 CA ALA A 144 245.419 226.664 256.516 1.00 0.00 C +ATOM 145 CA ASN A 145 246.699 223.475 258.162 1.00 0.00 C +ATOM 146 CA ALA A 146 247.162 219.699 257.950 1.00 0.00 C +ATOM 147 CA TYR A 147 244.137 218.282 256.118 1.00 0.00 C +ATOM 148 CA GLU A 148 243.431 214.550 255.814 1.00 0.00 C +ATOM 149 CA ARG A 149 240.827 212.270 254.222 1.00 0.00 C +ATOM 150 CA ALA A 150 239.231 209.928 256.769 1.00 0.00 C +ATOM 151 CA PRO A 151 235.883 210.993 258.242 1.00 0.00 C +ATOM 152 CA LYS A 152 232.242 211.144 259.352 1.00 0.00 C +ATOM 153 CA THR A 153 229.170 213.137 260.408 1.00 0.00 C +ATOM 154 CA LYS A 154 226.435 212.118 257.959 1.00 0.00 C +ATOM 155 CA SER A 155 225.369 208.486 258.386 1.00 0.00 C +ATOM 156 CA ASN A 156 224.840 204.763 257.770 1.00 0.00 C +TER 157 ASN A 156 +END diff --git a/Fungi/A0A9P7G3R3/A0A9P7G3R3.dcd b/Fungi/A0A9P7G3R3/A0A9P7G3R3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..78c612a12790d2e212b55c3af94322260123a94f --- /dev/null +++ b/Fungi/A0A9P7G3R3/A0A9P7G3R3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c186f3a3ec9f0eb9b917e48807a3f259b402bc1c251a3a6bc2d7349c6bee1a6e +size 40080276 diff --git a/Fungi/A0A9P7G3R3/top.pdb b/Fungi/A0A9P7G3R3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8d62928b677f9649cef3fb06bdde44367e19cbf8 --- /dev/null +++ b/Fungi/A0A9P7G3R3/top.pdb @@ -0,0 +1,220 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 247.599 179.884 302.454 1.00 0.00 C +ATOM 2 CA ALA A 2 250.692 177.761 303.122 1.00 0.00 C +ATOM 3 CA ALA A 3 252.619 177.709 306.408 1.00 0.00 C +ATOM 4 CA ALA A 4 253.342 176.951 310.071 1.00 0.00 C +ATOM 5 CA SER A 5 253.253 177.834 313.777 1.00 0.00 C +ATOM 6 CA SER A 6 251.079 180.928 314.242 1.00 0.00 C +ATOM 7 CA SER A 7 250.319 182.679 310.945 1.00 0.00 C +ATOM 8 CA SER A 8 247.849 185.384 309.898 1.00 0.00 C +ATOM 9 CA GLN A 9 244.779 187.404 310.902 1.00 0.00 C +ATOM 10 CA GLN A 10 245.652 188.973 314.263 1.00 0.00 C +ATOM 11 CA PRO A 11 249.003 190.196 315.601 1.00 0.00 C +ATOM 12 CA SER A 12 252.517 190.859 316.915 1.00 0.00 C +ATOM 13 CA ASP A 13 255.195 193.511 316.355 1.00 0.00 C +ATOM 14 CA PRO A 14 256.348 196.658 318.167 1.00 0.00 C +ATOM 15 CA TRP A 15 257.931 199.595 320.007 1.00 0.00 C +ATOM 16 CA ASP A 16 255.013 201.910 320.810 1.00 0.00 C +ATOM 17 CA LEU A 17 254.089 204.525 318.198 1.00 0.00 C +ATOM 18 CA PRO A 18 252.679 204.800 314.669 1.00 0.00 C +ATOM 19 CA ILE A 19 249.896 202.952 312.838 1.00 0.00 C +ATOM 20 CA VAL A 20 248.073 199.775 313.888 1.00 0.00 C +ATOM 21 CA LEU A 21 245.710 197.854 311.599 1.00 0.00 C +ATOM 22 CA PRO A 22 245.728 197.401 307.816 1.00 0.00 C +ATOM 23 CA THR A 23 246.141 193.675 307.134 1.00 0.00 C +ATOM 24 CA SER A 24 248.129 192.265 304.205 1.00 0.00 C +ATOM 25 CA ARG A 25 248.005 193.668 300.665 1.00 0.00 C +ATOM 26 CA HIS A 26 247.279 191.683 297.496 1.00 0.00 C +ATOM 27 CA ARG A 27 249.634 192.811 294.722 1.00 0.00 C +ATOM 28 CA THR A 28 249.485 194.738 291.438 1.00 0.00 C +ATOM 29 CA PRO A 29 247.338 196.963 289.212 1.00 0.00 C +ATOM 30 CA ALA A 30 246.387 200.398 287.864 1.00 0.00 C +ATOM 31 CA VAL A 31 243.396 202.485 288.964 1.00 0.00 C +ATOM 32 CA ALA A 32 240.159 202.523 286.954 1.00 0.00 C +ATOM 33 CA GLN A 33 236.758 200.898 286.400 1.00 0.00 C +ATOM 34 CA LEU A 34 235.606 199.652 282.989 1.00 0.00 C +ATOM 35 CA VAL A 35 238.527 198.695 280.737 1.00 0.00 C +ATOM 36 CA PRO A 36 241.464 197.498 278.625 1.00 0.00 C +ATOM 37 CA ASP A 37 244.565 195.285 278.640 1.00 0.00 C +ATOM 38 CA ASP A 38 245.839 191.723 278.185 1.00 0.00 C +ATOM 39 CA TRP A 39 246.248 187.957 277.783 1.00 0.00 C +ATOM 40 CA ASP A 40 248.013 186.256 280.700 1.00 0.00 C +ATOM 41 CA ASN A 41 247.545 182.795 282.223 1.00 0.00 C +ATOM 42 CA ASP A 42 245.366 180.475 280.128 1.00 0.00 C +ATOM 43 CA ASP A 43 247.489 177.605 278.798 1.00 0.00 C +ATOM 44 CA SER A 44 247.714 177.436 274.999 1.00 0.00 C +ATOM 45 CA ASP A 45 249.722 178.919 272.121 1.00 0.00 C +ATOM 46 CA MET A 46 250.038 182.674 272.679 1.00 0.00 C +ATOM 47 CA GLU A 47 253.706 183.393 273.417 1.00 0.00 C +ATOM 48 CA GLU A 48 255.215 186.721 274.495 1.00 0.00 C +ATOM 49 CA ASN A 49 254.239 189.740 272.386 1.00 0.00 C +ATOM 50 CA ASN A 50 251.262 191.803 273.568 1.00 0.00 C +ATOM 51 CA GLN A 51 251.179 195.563 274.176 1.00 0.00 C +ATOM 52 CA ARG A 52 252.224 198.735 276.010 1.00 0.00 C +ATOM 53 CA ILE A 53 254.883 199.608 278.595 1.00 0.00 C +ATOM 54 CA TRP A 54 254.899 202.820 280.643 1.00 0.00 C +ATOM 55 CA GLU A 55 253.393 206.217 281.484 1.00 0.00 C +ATOM 56 CA ASP A 56 251.784 209.010 279.452 1.00 0.00 C +ATOM 57 CA ALA A 57 250.066 209.875 276.164 1.00 0.00 C +ATOM 58 CA ASN A 58 246.422 210.478 277.096 1.00 0.00 C +ATOM 59 CA ALA A 59 243.894 213.064 275.898 1.00 0.00 C +ATOM 60 CA LYS A 60 241.970 211.323 273.108 1.00 0.00 C +ATOM 61 CA THR A 61 241.138 208.305 270.937 1.00 0.00 C +ATOM 62 CA PRO A 62 240.242 204.602 270.994 1.00 0.00 C +ATOM 63 CA ASN A 63 238.741 201.361 269.667 1.00 0.00 C +ATOM 64 CA PRO A 64 235.424 200.951 267.838 1.00 0.00 C +ATOM 65 CA MET A 65 233.749 198.018 266.075 1.00 0.00 C +ATOM 66 CA PRO A 66 231.549 198.484 262.999 1.00 0.00 C +ATOM 67 CA THR A 67 229.618 196.774 260.195 1.00 0.00 C +ATOM 68 CA LEU A 68 225.818 196.623 259.974 1.00 0.00 C +ATOM 69 CA ILE A 69 223.242 199.270 260.912 1.00 0.00 C +ATOM 70 CA LEU A 70 220.392 201.546 262.015 1.00 0.00 C +ATOM 71 CA SER A 71 220.699 204.326 264.602 1.00 0.00 C +ATOM 72 CA PRO A 72 223.455 206.892 265.186 1.00 0.00 C +ATOM 73 CA SER A 73 224.838 210.403 265.705 1.00 0.00 C +ATOM 74 CA ALA A 74 227.342 212.710 267.415 1.00 0.00 C +ATOM 75 CA ILE A 75 230.825 213.212 265.954 1.00 0.00 C +ATOM 76 CA GLY A 76 233.957 212.343 267.941 1.00 0.00 C +ATOM 77 CA PRO A 77 236.823 211.909 265.468 1.00 0.00 C +ATOM 78 CA SER A 78 237.215 213.139 261.883 1.00 0.00 C +ATOM 79 CA HIS A 79 236.135 212.058 258.393 1.00 0.00 C +ATOM 80 CA VAL A 80 236.997 208.677 256.863 1.00 0.00 C +ATOM 81 CA ALA A 81 240.497 207.942 255.549 1.00 0.00 C +ATOM 82 CA SER A 82 243.155 205.530 256.829 1.00 0.00 C +ATOM 83 CA PRO A 83 244.381 205.216 260.423 1.00 0.00 C +ATOM 84 CA PRO A 84 246.219 206.941 263.280 1.00 0.00 C +ATOM 85 CA PRO A 85 249.531 206.947 265.162 1.00 0.00 C +ATOM 86 CA GLY A 86 251.177 209.986 266.765 1.00 0.00 C +ATOM 87 CA ALA A 87 254.265 211.854 265.541 1.00 0.00 C +ATOM 88 CA PHE A 88 253.813 215.637 265.567 1.00 0.00 C +ATOM 89 CA GLN A 89 253.449 218.749 263.400 1.00 0.00 C +ATOM 90 CA PRO A 90 250.082 220.530 263.510 1.00 0.00 C +ATOM 91 CA THR A 91 249.613 224.239 262.776 1.00 0.00 C +ATOM 92 CA LEU A 92 249.845 226.235 266.013 1.00 0.00 C +ATOM 93 CA ARG A 93 252.621 228.416 267.446 1.00 0.00 C +ATOM 94 CA ILE A 94 255.411 229.377 265.036 1.00 0.00 C +ATOM 95 CA LEU A 95 258.857 229.885 263.492 1.00 0.00 C +ATOM 96 CA LYS A 96 261.230 230.331 260.545 1.00 0.00 C +ATOM 97 CA ARG A 97 260.367 228.984 257.088 1.00 0.00 C +ATOM 98 CA PRO A 98 258.692 229.407 253.692 1.00 0.00 C +ATOM 99 CA SER A 99 260.277 232.381 251.914 1.00 0.00 C +ATOM 100 CA ASN A 100 262.810 235.225 251.799 1.00 0.00 C +ATOM 101 CA PRO A 101 265.310 238.072 251.401 1.00 0.00 C +ATOM 102 CA GLY A 102 267.894 236.914 248.852 1.00 0.00 C +ATOM 103 CA SER A 103 268.271 235.699 245.260 1.00 0.00 C +ATOM 104 CA ASN A 104 268.188 235.210 241.483 1.00 0.00 C +ATOM 105 CA PRO A 105 264.866 233.586 240.567 1.00 0.00 C +ATOM 106 CA THR A 106 261.483 235.316 240.289 1.00 0.00 C +ATOM 107 CA THR A 107 261.367 237.854 243.128 1.00 0.00 C +ATOM 108 CA PRO A 108 258.311 240.112 242.838 1.00 0.00 C +ATOM 109 CA PRO A 109 256.849 240.138 239.320 1.00 0.00 C +ATOM 110 CA PRO A 110 257.038 243.701 237.982 1.00 0.00 C +ATOM 111 CA THR A 111 254.686 245.906 235.952 1.00 0.00 C +ATOM 112 CA LEU A 112 255.491 245.018 232.336 1.00 0.00 C +ATOM 113 CA THR A 113 259.213 244.961 231.526 1.00 0.00 C +ATOM 114 CA SER A 114 262.326 242.829 232.059 1.00 0.00 C +ATOM 115 CA THR A 115 265.727 243.497 233.641 1.00 0.00 C +ATOM 116 CA GLU A 116 268.166 244.976 231.115 1.00 0.00 C +ATOM 117 CA SER A 117 270.120 243.628 228.134 1.00 0.00 C +ATOM 118 CA LEU A 118 268.493 241.478 225.442 1.00 0.00 C +ATOM 119 CA LYS A 119 264.738 240.912 225.141 1.00 0.00 C +ATOM 120 CA GLU A 120 262.550 241.098 222.027 1.00 0.00 C +ATOM 121 CA ARG A 121 260.667 244.101 220.630 1.00 0.00 C +ATOM 122 CA GLU A 122 257.721 246.339 219.720 1.00 0.00 C +ATOM 123 CA ALA A 123 254.005 247.123 220.027 1.00 0.00 C +ATOM 124 CA ARG A 124 252.896 250.426 221.567 1.00 0.00 C +ATOM 125 CA TYR A 125 252.423 254.179 222.025 1.00 0.00 C +ATOM 126 CA GLN A 126 252.930 257.003 224.531 1.00 0.00 C +ATOM 127 CA ALA A 127 250.377 259.694 225.403 1.00 0.00 C +ATOM 128 CA ALA A 128 251.106 261.312 228.774 1.00 0.00 C +ATOM 129 CA ARG A 129 249.062 263.216 231.365 1.00 0.00 C +ATOM 130 CA GLU A 130 249.887 266.663 232.763 1.00 0.00 C +ATOM 131 CA ARG A 131 253.484 266.680 234.019 1.00 0.00 C +ATOM 132 CA ILE A 132 255.485 268.120 231.114 1.00 0.00 C +ATOM 133 CA PHE A 133 255.150 267.151 227.444 1.00 0.00 C +ATOM 134 CA GLY A 134 255.054 269.234 224.256 1.00 0.00 C +ATOM 135 CA SER A 135 251.451 269.634 223.083 1.00 0.00 C +ATOM 136 CA SER A 136 249.334 270.013 226.228 1.00 0.00 C +ATOM 137 CA ALA A 137 246.702 272.759 226.451 1.00 0.00 C +ATOM 138 CA SER A 138 243.002 273.665 226.526 1.00 0.00 C +ATOM 139 CA GLU A 139 240.853 271.786 229.050 1.00 0.00 C +ATOM 140 CA GLY A 140 240.538 273.397 232.488 1.00 0.00 C +ATOM 141 CA THR A 141 238.752 276.758 232.670 1.00 0.00 C +ATOM 142 CA ALA A 142 235.291 276.920 234.253 1.00 0.00 C +ATOM 143 CA SER A 143 234.453 278.486 237.624 1.00 0.00 C +ATOM 144 CA SER A 144 233.938 278.974 241.368 1.00 0.00 C +ATOM 145 CA ASP A 145 234.493 282.441 242.845 1.00 0.00 C +ATOM 146 CA SER A 146 234.683 285.216 240.241 1.00 0.00 C +ATOM 147 CA ALA A 147 236.861 288.331 240.510 1.00 0.00 C +ATOM 148 CA SER A 148 238.463 290.731 238.022 1.00 0.00 C +ATOM 149 CA ALA A 149 241.123 289.694 235.499 1.00 0.00 C +ATOM 150 CA LEU A 150 242.269 286.060 235.548 1.00 0.00 C +ATOM 151 CA SER A 151 245.673 284.771 236.673 1.00 0.00 C +ATOM 152 CA GLU A 152 247.978 287.143 238.566 1.00 0.00 C +ATOM 153 CA SER A 153 247.413 290.845 239.265 1.00 0.00 C +ATOM 154 CA PHE A 154 250.321 292.959 238.005 1.00 0.00 C +ATOM 155 CA ASN A 155 254.126 293.155 237.956 1.00 0.00 C +ATOM 156 CA SER A 156 256.255 296.183 238.861 1.00 0.00 C +ATOM 157 CA LYS A 157 257.971 299.390 237.728 1.00 0.00 C +ATOM 158 CA ASP A 158 258.743 303.059 238.405 1.00 0.00 C +ATOM 159 CA THR A 159 261.684 305.424 238.928 1.00 0.00 C +ATOM 160 CA GLN A 160 260.763 309.117 239.103 1.00 0.00 C +ATOM 161 CA GLN A 161 261.873 311.620 236.454 1.00 0.00 C +ATOM 162 CA TRP A 162 260.942 313.637 233.358 1.00 0.00 C +ATOM 163 CA PRO A 163 261.456 315.203 229.923 1.00 0.00 C +ATOM 164 CA THR A 164 258.536 317.375 228.794 1.00 0.00 C +ATOM 165 CA PRO A 165 255.043 317.709 227.309 1.00 0.00 C +ATOM 166 CA GLN A 166 252.235 316.799 229.717 1.00 0.00 C +ATOM 167 CA ASN A 167 250.759 320.068 231.003 1.00 0.00 C +ATOM 168 CA ALA A 168 251.187 323.801 231.631 1.00 0.00 C +ATOM 169 CA ARG A 169 250.123 327.036 233.340 1.00 0.00 C +ATOM 170 CA GLY A 170 253.162 329.324 233.127 1.00 0.00 C +ATOM 171 CA VAL A 171 255.892 331.112 231.162 1.00 0.00 C +ATOM 172 CA GLY A 172 257.307 332.199 227.795 1.00 0.00 C +ATOM 173 CA VAL A 173 259.926 332.837 225.103 1.00 0.00 C +ATOM 174 CA VAL A 174 261.703 329.707 223.853 1.00 0.00 C +ATOM 175 CA ARG A 175 259.289 326.777 223.527 1.00 0.00 C +ATOM 176 CA ASN A 176 256.817 325.774 220.807 1.00 0.00 C +ATOM 177 CA PRO A 177 253.958 326.047 218.303 1.00 0.00 C +ATOM 178 CA GLY A 178 254.278 325.184 214.606 1.00 0.00 C +ATOM 179 CA GLY A 179 256.184 328.049 212.973 1.00 0.00 C +ATOM 180 CA PRO A 180 253.977 331.096 212.371 1.00 0.00 C +ATOM 181 CA VAL A 181 255.407 334.612 212.702 1.00 0.00 C +ATOM 182 CA GLY A 182 258.042 337.356 212.912 1.00 0.00 C +ATOM 183 CA GLY A 183 257.583 340.472 210.767 1.00 0.00 C +ATOM 184 CA PRO A 184 254.778 342.601 209.313 1.00 0.00 C +ATOM 185 CA HIS A 185 251.623 343.107 207.239 1.00 0.00 C +ATOM 186 CA ASN A 186 251.012 340.279 204.760 1.00 0.00 C +ATOM 187 CA ALA A 187 249.988 336.808 203.568 1.00 0.00 C +ATOM 188 CA PRO A 188 249.427 335.786 199.941 1.00 0.00 C +ATOM 189 CA LEU A 189 250.574 337.113 196.559 1.00 0.00 C +ATOM 190 CA LYS A 190 254.187 337.309 195.366 1.00 0.00 C +ATOM 191 CA GLY A 191 257.827 336.204 195.160 1.00 0.00 C +ATOM 192 CA PHE A 192 258.826 334.742 198.534 1.00 0.00 C +ATOM 193 CA ARG A 193 258.828 331.494 200.525 1.00 0.00 C +ATOM 194 CA GLY A 194 256.004 330.436 202.853 1.00 0.00 C +ATOM 195 CA GLN A 195 252.353 330.286 201.777 1.00 0.00 C +ATOM 196 CA ARG A 196 251.706 328.150 198.689 1.00 0.00 C +ATOM 197 CA THR A 197 254.243 326.050 196.773 1.00 0.00 C +ATOM 198 CA SER A 198 254.772 322.278 196.676 1.00 0.00 C +ATOM 199 CA ALA A 199 255.984 320.615 199.882 1.00 0.00 C +ATOM 200 CA PRO A 200 256.970 318.045 202.516 1.00 0.00 C +ATOM 201 CA LEU A 201 258.843 319.192 205.629 1.00 0.00 C +ATOM 202 CA GLU A 202 256.773 318.739 208.796 1.00 0.00 C +ATOM 203 CA SER A 203 253.339 317.089 208.739 1.00 0.00 C +ATOM 204 CA SER A 204 253.767 313.442 207.723 1.00 0.00 C +ATOM 205 CA GLN A 205 255.359 310.059 206.991 1.00 0.00 C +ATOM 206 CA HIS A 206 254.984 308.484 203.542 1.00 0.00 C +ATOM 207 CA ARG A 207 254.918 304.718 202.971 1.00 0.00 C +ATOM 208 CA THR A 208 252.134 303.878 200.509 1.00 0.00 C +ATOM 209 CA SER A 209 249.187 301.727 199.413 1.00 0.00 C +ATOM 210 CA SER A 210 245.743 300.112 199.188 1.00 0.00 C +ATOM 211 CA ARG A 211 244.199 299.436 202.605 1.00 0.00 C +ATOM 212 CA GLU A 212 244.537 296.271 204.698 1.00 0.00 C +ATOM 213 CA ASN A 213 243.464 293.892 207.474 1.00 0.00 C +ATOM 214 CA PRO A 214 240.401 295.426 209.140 1.00 0.00 C +ATOM 215 CA VAL A 215 237.681 295.932 211.760 1.00 0.00 C +ATOM 216 CA ALA A 216 235.591 299.065 211.184 1.00 0.00 C +TER 217 ALA A 216 +END diff --git a/Fungi/A0A9P7K724/A0A9P7K724.dcd b/Fungi/A0A9P7K724/A0A9P7K724.dcd new file mode 100644 index 0000000000000000000000000000000000000000..59cec7092bc8baae36c683d6aae83f0d789c49dd --- /dev/null +++ b/Fungi/A0A9P7K724/A0A9P7K724.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:31f74028eb9afe77a64b517fea96977c0d655011615e07ee61db6fa8070f6ec6 +size 43500276 diff --git a/Fungi/A0A9P7K724/top.pdb b/Fungi/A0A9P7K724/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7fe0192b395c411f4e1419120f7cebdf7257a90c --- /dev/null +++ b/Fungi/A0A9P7K724/top.pdb @@ -0,0 +1,239 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-20 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 220.509 249.626 186.327 1.00 0.00 C +ATOM 2 CA SER A 2 220.387 249.184 182.545 1.00 0.00 C +ATOM 3 CA SER A 3 220.394 246.950 179.458 1.00 0.00 C +ATOM 4 CA ARG A 4 219.303 243.336 179.972 1.00 0.00 C +ATOM 5 CA PRO A 5 218.322 240.823 182.662 1.00 0.00 C +ATOM 6 CA GLU A 6 218.666 238.130 185.336 1.00 0.00 C +ATOM 7 CA HIS A 7 220.426 235.438 187.378 1.00 0.00 C +ATOM 8 CA HIS A 8 222.473 232.437 188.527 1.00 0.00 C +ATOM 9 CA ARG A 9 223.338 228.878 187.477 1.00 0.00 C +ATOM 10 CA ARG A 10 224.880 225.422 187.909 1.00 0.00 C +ATOM 11 CA GLU A 11 226.036 221.793 188.032 1.00 0.00 C +ATOM 12 CA ARG A 12 227.858 218.732 186.681 1.00 0.00 C +ATOM 13 CA SER A 13 229.591 216.162 188.896 1.00 0.00 C +ATOM 14 CA TRP A 14 230.847 215.492 192.430 1.00 0.00 C +ATOM 15 CA GLU A 15 233.367 213.618 194.588 1.00 0.00 C +ATOM 16 CA ARG A 16 235.125 210.657 196.217 1.00 0.00 C +ATOM 17 CA ASP A 17 234.441 207.497 198.233 1.00 0.00 C +ATOM 18 CA ASP A 18 237.537 206.190 200.029 1.00 0.00 C +ATOM 19 CA ARG A 19 241.213 205.762 199.123 1.00 0.00 C +ATOM 20 CA ASP A 20 244.938 205.560 198.352 1.00 0.00 C +ATOM 21 CA ARG A 21 247.824 207.621 199.747 1.00 0.00 C +ATOM 22 CA ALA A 22 247.749 207.653 203.556 1.00 0.00 C +ATOM 23 CA GLY A 23 248.743 205.372 206.442 1.00 0.00 C +ATOM 24 CA ASP A 24 250.229 205.102 209.939 1.00 0.00 C +ATOM 25 CA ARG A 25 247.908 206.278 212.722 1.00 0.00 C +ATOM 26 CA GLY A 26 246.661 209.577 214.163 1.00 0.00 C +ATOM 27 CA ARG A 27 244.837 212.180 216.265 1.00 0.00 C +ATOM 28 CA TYR A 28 246.051 215.788 216.431 1.00 0.00 C +ATOM 29 CA SER A 29 246.626 217.757 219.641 1.00 0.00 C +ATOM 30 CA ARG A 30 247.917 218.859 223.052 1.00 0.00 C +ATOM 31 CA GLY A 31 250.450 221.605 222.302 1.00 0.00 C +ATOM 32 CA GLY A 32 251.182 225.328 221.953 1.00 0.00 C +ATOM 33 CA ARG A 33 250.866 227.618 218.924 1.00 0.00 C +ATOM 34 CA GLY A 34 252.235 230.092 216.372 1.00 0.00 C +ATOM 35 CA GLY A 35 254.666 233.009 216.693 1.00 0.00 C +ATOM 36 CA ALA A 36 256.822 234.048 213.729 1.00 0.00 C +ATOM 37 CA SER A 37 260.397 233.314 214.822 1.00 0.00 C +ATOM 38 CA ARG A 38 262.602 235.771 212.920 1.00 0.00 C +ATOM 39 CA PRO A 39 265.886 237.437 211.942 1.00 0.00 C +ATOM 40 CA HIS A 40 266.958 237.811 208.306 1.00 0.00 C +ATOM 41 CA TYR A 41 269.408 240.507 207.189 1.00 0.00 C +ATOM 42 CA ASP A 42 269.529 241.473 203.505 1.00 0.00 C +ATOM 43 CA ASP A 43 269.368 245.167 202.586 1.00 0.00 C +ATOM 44 CA ARG A 44 267.856 248.188 204.348 1.00 0.00 C +ATOM 45 CA ARG A 45 268.977 249.049 207.886 1.00 0.00 C +ATOM 46 CA ARG A 46 267.454 252.462 208.627 1.00 0.00 C +ATOM 47 CA SER A 47 264.287 254.095 207.278 1.00 0.00 C +ATOM 48 CA SER A 48 262.031 251.738 205.311 1.00 0.00 C +ATOM 49 CA ARG A 49 258.542 250.263 205.721 1.00 0.00 C +ATOM 50 CA SER A 50 255.436 252.335 206.478 1.00 0.00 C +ATOM 51 CA ARG A 51 254.690 254.943 203.803 1.00 0.00 C +ATOM 52 CA SER A 52 252.195 256.281 201.253 1.00 0.00 C +ATOM 53 CA PRO A 53 252.276 256.864 197.488 1.00 0.00 C +ATOM 54 CA ARG A 54 249.996 254.615 195.425 1.00 0.00 C +ATOM 55 CA ARG A 55 247.858 251.470 195.667 1.00 0.00 C +ATOM 56 CA GLY A 56 244.365 250.360 194.627 1.00 0.00 C +ATOM 57 CA GLY A 57 241.913 250.991 191.780 1.00 0.00 C +ATOM 58 CA ASP A 58 240.467 254.337 190.671 1.00 0.00 C +ATOM 59 CA THR A 59 240.446 257.922 189.380 1.00 0.00 C +ATOM 60 CA ASN A 60 239.931 260.668 191.970 1.00 0.00 C +ATOM 61 CA ARG A 61 239.508 261.121 195.730 1.00 0.00 C +ATOM 62 CA GLU A 62 239.973 258.659 198.600 1.00 0.00 C +ATOM 63 CA ARG A 63 241.475 257.382 201.860 1.00 0.00 C +ATOM 64 CA ARG A 64 242.443 253.713 202.198 1.00 0.00 C +ATOM 65 CA PRO A 65 245.454 252.835 204.363 1.00 0.00 C +ATOM 66 CA ASP A 66 245.974 252.098 208.064 1.00 0.00 C +ATOM 67 CA ARG A 67 244.159 253.861 210.913 1.00 0.00 C +ATOM 68 CA ARG A 68 242.398 257.234 210.729 1.00 0.00 C +ATOM 69 CA GLU A 69 243.089 260.665 212.235 1.00 0.00 C +ATOM 70 CA PRO A 70 242.554 264.410 211.783 1.00 0.00 C +ATOM 71 CA HIS A 71 242.824 267.966 213.125 1.00 0.00 C +ATOM 72 CA ARG A 72 241.079 268.660 216.440 1.00 0.00 C +ATOM 73 CA ARG A 73 243.245 266.894 219.029 1.00 0.00 C +ATOM 74 CA ASP A 74 246.387 268.924 219.754 1.00 0.00 C +ATOM 75 CA LYS A 75 246.706 272.393 221.297 1.00 0.00 C +ATOM 76 CA GLU A 76 244.679 273.618 224.281 1.00 0.00 C +ATOM 77 CA ASP A 77 246.888 275.787 226.502 1.00 0.00 C +ATOM 78 CA GLU A 78 248.792 275.008 229.708 1.00 0.00 C +ATOM 79 CA ARG A 79 249.883 274.114 233.248 1.00 0.00 C +ATOM 80 CA ARG A 80 247.870 273.372 236.396 1.00 0.00 C +ATOM 81 CA ASP A 81 247.777 273.823 240.178 1.00 0.00 C +ATOM 82 CA ARG A 82 247.524 274.602 243.899 1.00 0.00 C +ATOM 83 CA ASP A 83 246.738 276.556 247.074 1.00 0.00 C +ATOM 84 CA ARG A 84 245.485 280.009 246.060 1.00 0.00 C +ATOM 85 CA GLU A 85 243.594 281.992 248.707 1.00 0.00 C +ATOM 86 CA ARG A 86 241.683 282.753 251.914 1.00 0.00 C +ATOM 87 CA ASP A 87 239.335 285.634 252.755 1.00 0.00 C +ATOM 88 CA ARG A 88 238.930 286.777 256.367 1.00 0.00 C +ATOM 89 CA ASP A 89 240.073 286.964 259.997 1.00 0.00 C +ATOM 90 CA ARG A 90 241.384 284.656 262.730 1.00 0.00 C +ATOM 91 CA ARG A 91 241.937 282.737 265.975 1.00 0.00 C +ATOM 92 CA ASP A 92 241.662 280.394 268.967 1.00 0.00 C +ATOM 93 CA ASP A 93 242.904 277.355 270.900 1.00 0.00 C +ATOM 94 CA ARG A 94 240.378 274.504 270.925 1.00 0.00 C +ATOM 95 CA GLY A 95 239.173 271.811 268.513 1.00 0.00 C +ATOM 96 CA GLY A 96 240.519 272.139 264.964 1.00 0.00 C +ATOM 97 CA ARG A 97 241.035 274.881 262.369 1.00 0.00 C +ATOM 98 CA ARG A 98 244.098 277.102 262.815 1.00 0.00 C +ATOM 99 CA ARG A 99 245.909 276.979 259.465 1.00 0.00 C +ATOM 100 CA ASP A 100 248.574 276.521 256.781 1.00 0.00 C +ATOM 101 CA ASP A 101 251.949 275.401 255.415 1.00 0.00 C +ATOM 102 CA ASP A 102 255.684 274.839 254.915 1.00 0.00 C +ATOM 103 CA ARG A 103 255.968 271.111 254.182 1.00 0.00 C +ATOM 104 CA GLU A 104 258.259 269.778 256.918 1.00 0.00 C +ATOM 105 CA ARG A 105 261.659 268.397 257.944 1.00 0.00 C +ATOM 106 CA ASP A 106 261.093 265.391 260.215 1.00 0.00 C +ATOM 107 CA GLY A 107 262.885 263.171 262.740 1.00 0.00 C +ATOM 108 CA ARG A 108 265.809 261.512 264.533 1.00 0.00 C +ATOM 109 CA ASP A 109 268.240 262.242 267.375 1.00 0.00 C +ATOM 110 CA GLU A 110 271.125 263.694 269.395 1.00 0.00 C +ATOM 111 CA ARG A 111 271.961 267.274 268.395 1.00 0.00 C +ATOM 112 CA ARG A 112 275.105 268.157 266.432 1.00 0.00 C +ATOM 113 CA ASP A 113 276.606 267.084 263.098 1.00 0.00 C +ATOM 114 CA ALA A 114 274.859 264.909 260.504 1.00 0.00 C +ATOM 115 CA PRO A 115 273.859 262.318 257.895 1.00 0.00 C +ATOM 116 CA ARG A 116 272.654 259.212 259.742 1.00 0.00 C +ATOM 117 CA LYS A 117 269.584 256.959 259.605 1.00 0.00 C +ATOM 118 CA GLU A 118 270.489 253.365 258.723 1.00 0.00 C +ATOM 119 CA ASP A 119 273.772 253.165 256.801 1.00 0.00 C +ATOM 120 CA SER A 120 276.236 250.403 255.898 1.00 0.00 C +ATOM 121 CA LYS A 121 277.953 249.699 252.570 1.00 0.00 C +ATOM 122 CA ASP A 122 280.061 246.808 251.262 1.00 0.00 C +ATOM 123 CA GLY A 123 281.054 243.682 253.201 1.00 0.00 C +ATOM 124 CA THR A 124 280.689 241.402 256.231 1.00 0.00 C +ATOM 125 CA ARG A 125 280.925 239.054 259.222 1.00 0.00 C +ATOM 126 CA ARG A 126 278.136 236.651 260.203 1.00 0.00 C +ATOM 127 CA PRO A 127 274.617 235.191 260.159 1.00 0.00 C +ATOM 128 CA ARG A 128 271.807 235.122 262.731 1.00 0.00 C +ATOM 129 CA GLU A 129 268.822 234.665 265.054 1.00 0.00 C +ATOM 130 CA ASP A 130 268.419 230.916 265.600 1.00 0.00 C +ATOM 131 CA GLU A 131 268.220 227.152 265.045 1.00 0.00 C +ATOM 132 CA ASP A 132 266.677 224.122 263.326 1.00 0.00 C +ATOM 133 CA THR A 133 263.822 221.614 263.052 1.00 0.00 C +ATOM 134 CA ARG A 134 262.005 219.312 265.483 1.00 0.00 C +ATOM 135 CA ASN A 135 260.929 219.761 269.111 1.00 0.00 C +ATOM 136 CA ARG A 136 262.123 223.251 270.068 1.00 0.00 C +ATOM 137 CA THR A 137 261.574 225.688 267.192 1.00 0.00 C +ATOM 138 CA PRO A 138 262.464 229.367 266.757 1.00 0.00 C +ATOM 139 CA GLN A 139 261.255 232.281 264.621 1.00 0.00 C +ATOM 140 CA PRO A 140 261.512 232.452 260.823 1.00 0.00 C +ATOM 141 CA PHE A 141 263.349 229.601 259.088 1.00 0.00 C +ATOM 142 CA VAL A 142 265.349 226.571 257.932 1.00 0.00 C +ATOM 143 CA ALA A 143 267.226 223.297 257.404 1.00 0.00 C +ATOM 144 CA ALA A 144 270.929 223.231 258.298 1.00 0.00 C +ATOM 145 CA MET A 145 273.011 223.935 255.186 1.00 0.00 C +ATOM 146 CA PRO A 146 276.336 225.619 254.396 1.00 0.00 C +ATOM 147 CA LYS A 147 279.435 226.852 252.553 1.00 0.00 C +ATOM 148 CA ASN A 148 282.462 224.956 251.226 1.00 0.00 C +ATOM 149 CA ASN A 149 283.265 224.915 247.502 1.00 0.00 C +ATOM 150 CA ARG A 150 280.095 226.212 245.833 1.00 0.00 C +ATOM 151 CA ASP A 151 276.585 226.079 247.310 1.00 0.00 C +ATOM 152 CA SER A 152 273.878 228.741 246.997 1.00 0.00 C +ATOM 153 CA GLY A 153 273.567 232.148 245.320 1.00 0.00 C +ATOM 154 CA GLU A 154 274.015 235.052 247.744 1.00 0.00 C +ATOM 155 CA LYS A 155 273.327 233.551 251.177 1.00 0.00 C +ATOM 156 CA THR A 156 272.357 236.406 253.507 1.00 0.00 C +ATOM 157 CA ASN A 157 275.345 238.707 254.045 1.00 0.00 C +ATOM 158 CA HIS A 158 274.763 242.221 252.695 1.00 0.00 C +ATOM 159 CA SER A 159 272.840 244.502 255.064 1.00 0.00 C +ATOM 160 CA ARG A 160 272.392 245.227 258.777 1.00 0.00 C +ATOM 161 CA PRO A 161 269.687 247.137 260.663 1.00 0.00 C +ATOM 162 CA ASN A 162 267.715 245.742 263.609 1.00 0.00 C +ATOM 163 CA LEU A 163 268.153 246.120 267.375 1.00 0.00 C +ATOM 164 CA ASP A 164 266.897 246.389 270.962 1.00 0.00 C +ATOM 165 CA PRO A 165 267.659 244.802 274.341 1.00 0.00 C +ATOM 166 CA ASP A 166 266.807 247.359 277.034 1.00 0.00 C +ATOM 167 CA GLU A 167 266.007 251.069 277.377 1.00 0.00 C +ATOM 168 CA GLY A 168 263.591 251.824 280.225 1.00 0.00 C +ATOM 169 CA GLU A 169 260.027 252.215 281.515 1.00 0.00 C +ATOM 170 CA GLU A 170 256.386 251.786 282.549 1.00 0.00 C +ATOM 171 CA GLY A 171 254.226 254.533 284.068 1.00 0.00 C +ATOM 172 CA GLU A 172 251.228 256.883 283.985 1.00 0.00 C +ATOM 173 CA ALA A 173 250.798 260.015 281.859 1.00 0.00 C +ATOM 174 CA MET A 174 249.386 263.362 280.708 1.00 0.00 C +ATOM 175 CA ASP A 175 250.413 266.871 281.780 1.00 0.00 C +ATOM 176 CA ALA A 176 247.842 269.185 283.377 1.00 0.00 C +ATOM 177 CA GLU A 177 247.801 269.713 287.150 1.00 0.00 C +ATOM 178 CA ASN A 178 249.441 268.447 290.347 1.00 0.00 C +ATOM 179 CA ASP A 179 252.601 266.680 289.162 1.00 0.00 C +ATOM 180 CA ASP A 180 253.393 263.130 288.026 1.00 0.00 C +ATOM 181 CA ASP A 181 253.801 260.134 290.344 1.00 0.00 C +ATOM 182 CA ALA A 182 252.767 261.290 293.824 1.00 0.00 C +ATOM 183 CA ALA A 183 253.645 263.872 296.485 1.00 0.00 C +ATOM 184 CA MET A 184 256.807 264.432 298.535 1.00 0.00 C +ATOM 185 CA MET A 185 257.950 261.517 300.705 1.00 0.00 C +ATOM 186 CA ALA A 186 256.041 261.116 303.978 1.00 0.00 C +ATOM 187 CA THR A 187 253.121 258.669 304.016 1.00 0.00 C +ATOM 188 CA MET A 188 249.842 256.802 304.539 1.00 0.00 C +ATOM 189 CA GLY A 189 246.078 257.348 304.764 1.00 0.00 C +ATOM 190 CA LEU A 190 244.793 256.432 301.296 1.00 0.00 C +ATOM 191 CA SER A 191 242.319 258.175 298.982 1.00 0.00 C +ATOM 192 CA GLY A 192 241.150 260.343 296.075 1.00 0.00 C +ATOM 193 CA PHE A 193 242.421 263.907 295.637 1.00 0.00 C +ATOM 194 CA GLY A 194 242.255 266.783 293.143 1.00 0.00 C +ATOM 195 CA SER A 195 239.492 268.244 290.964 1.00 0.00 C +ATOM 196 CA THR A 196 236.143 267.039 292.324 1.00 0.00 C +ATOM 197 CA LYS A 197 236.284 263.874 294.440 1.00 0.00 C +ATOM 198 CA GLY A 198 234.335 260.913 293.044 1.00 0.00 C +ATOM 199 CA LYS A 199 235.211 257.685 291.218 1.00 0.00 C +ATOM 200 CA PRO A 200 237.893 257.614 288.513 1.00 0.00 C +ATOM 201 CA VAL A 201 241.400 258.217 289.874 1.00 0.00 C +ATOM 202 CA GLU A 202 243.811 260.817 288.481 1.00 0.00 C +ATOM 203 CA GLY A 203 245.900 263.386 286.597 1.00 0.00 C +ATOM 204 CA ASN A 204 243.776 264.546 283.654 1.00 0.00 C +ATOM 205 CA GLN A 205 240.179 265.539 284.425 1.00 0.00 C +ATOM 206 CA GLU A 206 237.418 263.089 285.366 1.00 0.00 C +ATOM 207 CA GLY A 207 233.973 261.816 286.381 1.00 0.00 C +ATOM 208 CA ALA A 208 230.674 259.910 286.394 1.00 0.00 C +ATOM 209 CA VAL A 209 230.214 256.301 285.261 1.00 0.00 C +ATOM 210 CA GLN A 210 229.613 252.707 284.150 1.00 0.00 C +ATOM 211 CA ILE A 211 226.785 250.294 284.986 1.00 0.00 C +ATOM 212 CA LYS A 212 224.078 248.205 286.666 1.00 0.00 C +ATOM 213 CA LYS A 213 222.656 244.882 287.868 1.00 0.00 C +ATOM 214 CA GLN A 214 219.021 244.636 288.984 1.00 0.00 C +ATOM 215 CA ARG A 215 218.060 244.153 292.639 1.00 0.00 C +ATOM 216 CA THR A 216 220.123 246.665 294.627 1.00 0.00 C +ATOM 217 CA TRP A 217 221.225 245.746 298.157 1.00 0.00 C +ATOM 218 CA ARG A 218 223.797 245.338 300.938 1.00 0.00 C +ATOM 219 CA GLN A 219 223.408 247.558 304.009 1.00 0.00 C +ATOM 220 CA TYR A 220 224.791 248.972 307.265 1.00 0.00 C +ATOM 221 CA MET A 221 228.089 250.748 307.964 1.00 0.00 C +ATOM 222 CA ASN A 222 228.315 254.520 307.471 1.00 0.00 C +ATOM 223 CA ARG A 223 230.025 257.172 305.336 1.00 0.00 C +ATOM 224 CA ARG A 224 227.238 259.488 304.161 1.00 0.00 C +ATOM 225 CA GLY A 225 227.531 262.566 301.935 1.00 0.00 C +ATOM 226 CA GLY A 226 228.399 263.240 298.287 1.00 0.00 C +ATOM 227 CA PHE A 227 229.454 266.131 296.041 1.00 0.00 C +ATOM 228 CA ASN A 228 229.176 266.026 292.243 1.00 0.00 C +ATOM 229 CA ARG A 229 226.663 266.680 289.455 1.00 0.00 C +ATOM 230 CA PRO A 230 226.603 264.382 286.417 1.00 0.00 C +ATOM 231 CA LEU A 231 226.458 266.446 283.217 1.00 0.00 C +ATOM 232 CA ASP A 232 226.411 266.602 279.411 1.00 0.00 C +ATOM 233 CA LYS A 233 224.493 266.777 276.124 1.00 0.00 C +ATOM 234 CA ILE A 234 220.842 267.660 276.764 1.00 0.00 C +ATOM 235 CA LYS A 235 218.236 270.404 276.325 1.00 0.00 C +TER 236 LYS A 235 +END diff --git a/Fungi/A0A9P7KBX4/A0A9P7KBX4.dcd b/Fungi/A0A9P7KBX4/A0A9P7KBX4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..1e9ea5bc143b655802894e306c8310bd472313c7 --- /dev/null +++ b/Fungi/A0A9P7KBX4/A0A9P7KBX4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:94e960901948f88945e2d8e8bab551e3807224cc3974f2f25e8f71fdeed0dbe0 +size 20360276 diff --git a/Fungi/A0A9P7KBX4/top.pdb b/Fungi/A0A9P7KBX4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..50dac1a5c5c1b44fa78bfeff4efa4ea1d033c81d --- /dev/null +++ b/Fungi/A0A9P7KBX4/top.pdb @@ -0,0 +1,167 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 234.162 216.010 278.431 1.00 0.00 C +ATOM 2 CA THR A 2 237.140 217.535 276.608 1.00 0.00 C +ATOM 3 CA THR A 3 238.879 218.912 273.510 1.00 0.00 C +ATOM 4 CA LEU A 4 239.421 222.678 273.719 1.00 0.00 C +ATOM 5 CA ASN A 5 235.995 224.344 273.709 1.00 0.00 C +ATOM 6 CA ALA A 6 235.554 227.997 272.723 1.00 0.00 C +ATOM 7 CA PRO A 7 238.369 228.691 270.251 1.00 0.00 C +ATOM 8 CA VAL A 8 238.012 228.476 266.463 1.00 0.00 C +ATOM 9 CA LYS A 9 235.411 230.728 264.828 1.00 0.00 C +ATOM 10 CA LYS A 10 234.103 233.996 263.370 1.00 0.00 C +ATOM 11 CA ARG A 11 235.409 234.927 259.914 1.00 0.00 C +ATOM 12 CA PHE A 12 236.625 238.537 260.003 1.00 0.00 C +ATOM 13 CA SER A 13 239.079 241.432 260.341 1.00 0.00 C +ATOM 14 CA ARG A 14 241.419 244.326 259.527 1.00 0.00 C +ATOM 15 CA ARG A 15 244.687 246.105 258.704 1.00 0.00 C +ATOM 16 CA LYS A 16 247.495 246.424 256.149 1.00 0.00 C +ATOM 17 CA SER A 17 250.265 249.039 256.131 1.00 0.00 C +ATOM 18 CA LEU A 18 251.801 250.006 259.482 1.00 0.00 C +ATOM 19 CA GLN A 19 254.090 250.558 262.476 1.00 0.00 C +ATOM 20 CA LEU A 20 255.935 250.652 265.809 1.00 0.00 C +ATOM 21 CA PRO A 21 255.141 252.822 268.838 1.00 0.00 C +ATOM 22 CA PRO A 22 255.025 254.250 272.369 1.00 0.00 C +ATOM 23 CA GLN A 23 252.574 252.271 274.511 1.00 0.00 C +ATOM 24 CA PRO A 24 250.629 251.213 277.612 1.00 0.00 C +ATOM 25 CA LEU A 25 251.310 248.644 280.341 1.00 0.00 C +ATOM 26 CA ASP A 26 248.752 248.208 283.130 1.00 0.00 C +ATOM 27 CA ILE A 27 247.517 250.568 285.854 1.00 0.00 C +ATOM 28 CA PRO A 28 245.314 251.496 288.821 1.00 0.00 C +ATOM 29 CA ILE A 29 247.154 250.153 291.875 1.00 0.00 C +ATOM 30 CA PRO A 30 250.419 248.192 291.790 1.00 0.00 C +ATOM 31 CA PRO A 31 253.685 246.236 291.638 1.00 0.00 C +ATOM 32 CA SER A 32 255.107 242.724 292.041 1.00 0.00 C +ATOM 33 CA LEU A 33 258.628 242.610 293.492 1.00 0.00 C +ATOM 34 CA LEU A 34 261.011 241.883 290.610 1.00 0.00 C +ATOM 35 CA GLN A 35 262.231 238.278 290.435 1.00 0.00 C +ATOM 36 CA SER A 36 260.568 236.463 287.527 1.00 0.00 C +ATOM 37 CA PRO A 37 257.463 235.163 285.742 1.00 0.00 C +ATOM 38 CA TYR A 38 256.706 232.787 282.860 1.00 0.00 C +ATOM 39 CA LEU A 39 258.602 229.864 281.319 1.00 0.00 C +ATOM 40 CA ASN A 40 259.359 226.666 279.391 1.00 0.00 C +ATOM 41 CA SER A 41 259.553 225.367 275.815 1.00 0.00 C +ATOM 42 CA GLU A 42 258.148 224.576 272.363 1.00 0.00 C +ATOM 43 CA SER A 43 255.934 227.215 270.735 1.00 0.00 C +ATOM 44 CA ILE A 44 256.853 228.629 267.318 1.00 0.00 C +ATOM 45 CA PHE A 45 256.755 231.144 264.458 1.00 0.00 C +ATOM 46 CA GLN A 46 256.178 232.290 260.870 1.00 0.00 C +ATOM 47 CA ARG A 47 256.243 230.342 257.596 1.00 0.00 C +ATOM 48 CA THR A 48 254.878 228.206 254.752 1.00 0.00 C +ATOM 49 CA LEU A 49 252.885 227.100 251.699 1.00 0.00 C +ATOM 50 CA SER A 50 249.367 225.884 252.514 1.00 0.00 C +ATOM 51 CA ALA A 51 245.900 224.644 251.534 1.00 0.00 C +ATOM 52 CA PRO A 52 242.492 225.776 252.808 1.00 0.00 C +ATOM 53 CA HIS A 53 241.538 229.263 254.010 1.00 0.00 C +ATOM 54 CA LYS A 54 239.322 230.366 256.906 1.00 0.00 C +ATOM 55 CA PRO A 55 236.710 227.795 257.950 1.00 0.00 C +ATOM 56 CA THR A 56 235.254 224.365 258.741 1.00 0.00 C +ATOM 57 CA GLU A 57 234.337 223.875 262.406 1.00 0.00 C +ATOM 58 CA GLU A 58 231.548 224.988 264.751 1.00 0.00 C +ATOM 59 CA ASP A 59 228.367 226.015 262.923 1.00 0.00 C +ATOM 60 CA GLU A 60 226.554 225.961 259.573 1.00 0.00 C +ATOM 61 CA GLN A 61 224.722 223.398 257.430 1.00 0.00 C +ATOM 62 CA TRP A 62 222.677 225.090 254.697 1.00 0.00 C +ATOM 63 CA LEU A 63 219.922 227.680 255.166 1.00 0.00 C +ATOM 64 CA GLN A 64 220.637 231.401 255.569 1.00 0.00 C +ATOM 65 CA ASP A 65 222.116 231.745 259.063 1.00 0.00 C +ATOM 66 CA THR A 66 225.702 233.006 259.324 1.00 0.00 C +ATOM 67 CA VAL A 67 228.189 234.543 256.881 1.00 0.00 C +ATOM 68 CA PRO A 68 229.920 235.620 253.662 1.00 0.00 C +ATOM 69 CA LEU A 69 232.825 234.766 251.349 1.00 0.00 C +ATOM 70 CA SER A 70 236.037 234.925 253.391 1.00 0.00 C +ATOM 71 CA LEU A 71 239.568 236.350 253.536 1.00 0.00 C +ATOM 72 CA ASP A 72 241.511 237.221 250.377 1.00 0.00 C +ATOM 73 CA SER A 73 242.082 234.454 247.820 1.00 0.00 C +ATOM 74 CA GLN A 74 240.780 235.808 244.506 1.00 0.00 C +ATOM 75 CA ASP A 75 242.310 236.015 241.023 1.00 0.00 C +ATOM 76 CA ASP A 76 240.289 233.708 238.762 1.00 0.00 C +ATOM 77 CA HIS A 77 242.525 231.049 237.198 1.00 0.00 C +ATOM 78 CA ARG A 78 244.301 230.314 233.909 1.00 0.00 C +ATOM 79 CA LYS A 79 247.728 229.398 232.520 1.00 0.00 C +ATOM 80 CA HIS A 80 251.013 229.670 234.431 1.00 0.00 C +ATOM 81 CA ALA A 81 254.579 229.664 235.773 1.00 0.00 C +ATOM 82 CA ARG A 82 256.854 231.116 233.084 1.00 0.00 C +ATOM 83 CA LEU A 83 260.063 232.272 231.386 1.00 0.00 C +ATOM 84 CA SER A 84 259.971 235.316 229.097 1.00 0.00 C +ATOM 85 CA THR A 85 259.773 238.026 226.426 1.00 0.00 C +ATOM 86 CA SER A 86 261.650 241.286 225.825 1.00 0.00 C +ATOM 87 CA SER A 87 259.043 243.968 225.097 1.00 0.00 C +ATOM 88 CA SER A 88 256.249 246.403 224.217 1.00 0.00 C +ATOM 89 CA ALA A 89 253.004 245.941 222.274 1.00 0.00 C +ATOM 90 CA SER A 90 250.274 247.622 220.216 1.00 0.00 C +ATOM 91 CA SER A 91 251.128 251.244 219.398 1.00 0.00 C +ATOM 92 CA GLY A 92 249.366 253.057 216.547 1.00 0.00 C +ATOM 93 CA PRO A 93 249.417 256.864 216.691 1.00 0.00 C +ATOM 94 CA SER A 94 251.617 258.351 213.959 1.00 0.00 C +ATOM 95 CA SER A 95 254.601 259.869 212.141 1.00 0.00 C +ATOM 96 CA ALA A 96 255.512 263.437 213.120 1.00 0.00 C +ATOM 97 CA GLY A 97 253.282 265.319 215.570 1.00 0.00 C +ATOM 98 CA GLU A 98 250.742 267.538 213.797 1.00 0.00 C +ATOM 99 CA SER A 99 250.153 270.897 212.098 1.00 0.00 C +ATOM 100 CA SER A 100 252.648 273.723 212.648 1.00 0.00 C +ATOM 101 CA GLU A 101 253.887 276.953 214.244 1.00 0.00 C +ATOM 102 CA ASP A 102 251.835 279.975 215.329 1.00 0.00 C +ATOM 103 CA SER A 103 248.508 279.018 216.919 1.00 0.00 C +ATOM 104 CA SER A 104 249.163 276.985 220.073 1.00 0.00 C +ATOM 105 CA ARG A 105 251.423 275.099 222.493 1.00 0.00 C +ATOM 106 CA SER A 106 252.298 273.503 225.840 1.00 0.00 C +ATOM 107 CA PRO A 107 256.104 273.534 226.008 1.00 0.00 C +ATOM 108 CA SER A 108 257.249 270.321 224.310 1.00 0.00 C +ATOM 109 CA SER A 109 260.106 271.405 222.035 1.00 0.00 C +ATOM 110 CA ARG A 110 262.178 270.032 219.148 1.00 0.00 C +ATOM 111 CA PRO A 111 260.336 266.892 218.026 1.00 0.00 C +ATOM 112 CA GLN A 112 258.552 265.240 220.960 1.00 0.00 C +ATOM 113 CA SER A 113 261.166 264.664 223.672 1.00 0.00 C +ATOM 114 CA THR A 114 259.925 263.291 227.002 1.00 0.00 C +ATOM 115 CA GLY A 115 260.184 259.788 228.478 1.00 0.00 C +ATOM 116 CA PRO A 116 263.800 258.624 228.177 1.00 0.00 C +ATOM 117 CA HIS A 117 265.825 257.147 225.308 1.00 0.00 C +ATOM 118 CA HIS A 118 267.543 254.350 223.373 1.00 0.00 C +ATOM 119 CA ALA A 119 268.290 255.310 219.762 1.00 0.00 C +ATOM 120 CA PRO A 120 268.672 258.325 217.464 1.00 0.00 C +ATOM 121 CA PRO A 121 271.536 260.835 217.370 1.00 0.00 C +ATOM 122 CA SER A 122 273.876 260.579 220.366 1.00 0.00 C +ATOM 123 CA PRO A 123 275.023 259.149 223.706 1.00 0.00 C +ATOM 124 CA PRO A 124 274.702 257.964 227.313 1.00 0.00 C +ATOM 125 CA LEU A 125 275.492 260.676 229.869 1.00 0.00 C +ATOM 126 CA VAL A 126 274.020 263.870 231.335 1.00 0.00 C +ATOM 127 CA ARG A 127 274.439 266.634 233.923 1.00 0.00 C +ATOM 128 CA SER A 128 272.651 269.951 233.360 1.00 0.00 C +ATOM 129 CA ARG A 129 268.848 269.875 233.573 1.00 0.00 C +ATOM 130 CA ARG A 130 267.046 268.785 230.397 1.00 0.00 C +ATOM 131 CA GLN A 131 264.427 271.182 229.015 1.00 0.00 C +ATOM 132 CA THR A 132 263.705 274.255 231.148 1.00 0.00 C +ATOM 133 CA HIS A 133 261.152 276.872 230.077 1.00 0.00 C +ATOM 134 CA LEU A 134 258.521 279.403 228.988 1.00 0.00 C +ATOM 135 CA ALA A 135 256.383 282.330 230.164 1.00 0.00 C +ATOM 136 CA PRO A 136 252.595 282.722 230.041 1.00 0.00 C +ATOM 137 CA PRO A 137 249.134 281.132 230.126 1.00 0.00 C +ATOM 138 CA SER A 138 246.332 281.787 232.623 1.00 0.00 C +ATOM 139 CA TRP A 139 246.833 282.102 236.387 1.00 0.00 C +ATOM 140 CA LEU A 140 246.183 278.636 237.829 1.00 0.00 C +ATOM 141 CA SER A 141 242.672 277.155 237.813 1.00 0.00 C +ATOM 142 CA SER A 142 242.616 273.677 239.368 1.00 0.00 C +ATOM 143 CA SER A 143 244.879 270.959 240.785 1.00 0.00 C +ATOM 144 CA SER A 144 246.533 271.364 244.193 1.00 0.00 C +ATOM 145 CA GLN A 145 249.940 270.055 245.290 1.00 0.00 C +ATOM 146 CA PRO A 146 250.393 269.459 249.025 1.00 0.00 C +ATOM 147 CA GLN A 147 247.750 268.836 251.698 1.00 0.00 C +ATOM 148 CA VAL A 148 248.181 270.082 255.272 1.00 0.00 C +ATOM 149 CA ARG A 149 246.235 269.365 258.469 1.00 0.00 C +ATOM 150 CA SER A 150 243.424 267.208 259.870 1.00 0.00 C +ATOM 151 CA ALA A 151 244.459 266.151 263.381 1.00 0.00 C +ATOM 152 CA PRO A 152 244.613 266.452 267.176 1.00 0.00 C +ATOM 153 CA CYS A 153 242.120 265.926 270.009 1.00 0.00 C +ATOM 154 CA VAL A 154 243.683 264.948 273.343 1.00 0.00 C +ATOM 155 CA ALA A 155 246.471 266.248 275.590 1.00 0.00 C +ATOM 156 CA ASP A 156 246.994 268.696 278.463 1.00 0.00 C +ATOM 157 CA ARG A 157 250.081 270.723 277.527 1.00 0.00 C +ATOM 158 CA GLU A 158 251.538 272.492 280.571 1.00 0.00 C +ATOM 159 CA PHE A 159 252.671 270.622 283.691 1.00 0.00 C +ATOM 160 CA PHE A 160 253.375 269.072 287.099 1.00 0.00 C +ATOM 161 CA ALA A 161 250.263 268.245 289.137 1.00 0.00 C +ATOM 162 CA ARG A 162 248.073 266.549 291.753 1.00 0.00 C +ATOM 163 CA SER A 163 248.451 262.785 292.205 1.00 0.00 C +TER 164 SER A 163 +END diff --git a/Fungi/A0A9P7KI91/A0A9P7KI91.dcd b/Fungi/A0A9P7KI91/A0A9P7KI91.dcd new file mode 100644 index 0000000000000000000000000000000000000000..4a9223b439dec537d224ed90f8666a90b0aba944 --- /dev/null +++ b/Fungi/A0A9P7KI91/A0A9P7KI91.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:38289d7271b7ec93c780ee89a9181269ac66a0f7f4f5d7df9a172c5b2c5e6963 +size 18560276 diff --git a/Fungi/A0A9P7KI91/top.pdb b/Fungi/A0A9P7KI91/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0f95858aa14e0328fee5f0af610cb5d755f648a3 --- /dev/null +++ b/Fungi/A0A9P7KI91/top.pdb @@ -0,0 +1,152 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 233.937 204.494 272.745 1.00 0.00 C +ATOM 2 CA ALA A 2 235.856 204.101 269.477 1.00 0.00 C +ATOM 3 CA LYS A 3 234.145 205.107 266.225 1.00 0.00 C +ATOM 4 CA THR A 4 233.248 205.643 262.561 1.00 0.00 C +ATOM 5 CA ALA A 5 232.241 205.897 258.895 1.00 0.00 C +ATOM 6 CA THR A 6 234.236 207.855 256.306 1.00 0.00 C +ATOM 7 CA VAL A 7 236.746 206.852 253.621 1.00 0.00 C +ATOM 8 CA THR A 8 237.979 207.599 250.095 1.00 0.00 C +ATOM 9 CA LYS A 9 239.428 211.021 249.256 1.00 0.00 C +ATOM 10 CA THR A 10 240.337 212.372 245.811 1.00 0.00 C +ATOM 11 CA LYS A 11 238.092 215.187 244.565 1.00 0.00 C +ATOM 12 CA THR A 12 234.834 215.223 246.540 1.00 0.00 C +ATOM 13 CA ALA A 13 231.690 216.710 244.983 1.00 0.00 C +ATOM 14 CA THR A 14 228.682 215.820 242.821 1.00 0.00 C +ATOM 15 CA LYS A 15 226.040 216.357 240.128 1.00 0.00 C +ATOM 16 CA GLU A 16 227.630 216.033 236.681 1.00 0.00 C +ATOM 17 CA ALA A 17 227.973 214.192 233.363 1.00 0.00 C +ATOM 18 CA ASN A 18 225.541 214.825 230.499 1.00 0.00 C +ATOM 19 CA ASP A 19 225.260 217.599 227.902 1.00 0.00 C +ATOM 20 CA LYS A 20 225.589 220.597 225.575 1.00 0.00 C +ATOM 21 CA LYS A 21 224.268 222.951 222.886 1.00 0.00 C +ATOM 22 CA THR A 22 226.340 225.303 220.721 1.00 0.00 C +ATOM 23 CA ARG A 23 227.626 228.559 219.216 1.00 0.00 C +ATOM 24 CA LYS A 24 227.642 232.333 218.691 1.00 0.00 C +ATOM 25 CA PRO A 25 230.192 235.107 219.254 1.00 0.00 C +ATOM 26 CA LYS A 26 229.802 237.971 216.771 1.00 0.00 C +ATOM 27 CA ALA A 27 230.059 241.475 215.296 1.00 0.00 C +ATOM 28 CA ASP A 28 229.188 244.932 216.639 1.00 0.00 C +ATOM 29 CA LYS A 29 227.877 247.419 219.211 1.00 0.00 C +ATOM 30 CA ALA A 30 228.564 246.798 222.907 1.00 0.00 C +ATOM 31 CA ASP A 31 232.334 246.435 223.318 1.00 0.00 C +ATOM 32 CA LYS A 32 235.162 244.964 225.405 1.00 0.00 C +ATOM 33 CA PRO A 33 234.431 242.465 228.186 1.00 0.00 C +ATOM 34 CA LYS A 34 233.108 241.499 231.626 1.00 0.00 C +ATOM 35 CA ARG A 35 232.544 239.139 234.563 1.00 0.00 C +ATOM 36 CA GLU A 36 232.803 238.940 238.359 1.00 0.00 C +ATOM 37 CA PRO A 37 233.654 239.205 242.064 1.00 0.00 C +ATOM 38 CA THR A 38 237.418 238.653 242.277 1.00 0.00 C +ATOM 39 CA ALA A 39 240.564 236.978 243.622 1.00 0.00 C +ATOM 40 CA TYR A 40 241.830 238.259 246.980 1.00 0.00 C +ATOM 41 CA GLN A 41 243.524 237.053 250.172 1.00 0.00 C +ATOM 42 CA LEU A 42 247.141 235.888 249.890 1.00 0.00 C +ATOM 43 CA PHE A 43 249.597 235.466 252.771 1.00 0.00 C +ATOM 44 CA CYS A 44 250.938 236.650 256.135 1.00 0.00 C +ATOM 45 CA LYS A 45 251.353 236.654 259.923 1.00 0.00 C +ATOM 46 CA ALA A 46 253.034 233.660 261.574 1.00 0.00 C +ATOM 47 CA ASN A 47 253.190 230.445 259.537 1.00 0.00 C +ATOM 48 CA MET A 48 256.510 229.231 258.115 1.00 0.00 C +ATOM 49 CA LYS A 49 259.654 227.111 258.489 1.00 0.00 C +ATOM 50 CA LYS A 50 262.593 226.351 256.188 1.00 0.00 C +ATOM 51 CA TRP A 51 265.834 227.941 254.969 1.00 0.00 C +ATOM 52 CA ASN A 52 269.484 228.825 254.328 1.00 0.00 C +ATOM 53 CA ASP A 53 269.581 231.556 251.673 1.00 0.00 C +ATOM 54 CA ALA A 54 271.176 233.241 248.652 1.00 0.00 C +ATOM 55 CA ASN A 55 272.957 236.380 249.872 1.00 0.00 C +ATOM 56 CA PRO A 56 272.493 240.118 250.447 1.00 0.00 C +ATOM 57 CA GLY A 57 274.238 242.548 248.087 1.00 0.00 C +ATOM 58 CA ARG A 58 272.825 244.171 244.943 1.00 0.00 C +ATOM 59 CA ALA A 59 275.108 246.787 243.374 1.00 0.00 C +ATOM 60 CA LYS A 60 278.540 245.850 242.010 1.00 0.00 C +ATOM 61 CA GLU A 61 281.936 245.354 240.356 1.00 0.00 C +ATOM 62 CA ALA A 62 284.816 247.269 238.758 1.00 0.00 C +ATOM 63 CA MET A 63 285.364 250.602 240.522 1.00 0.00 C +ATOM 64 CA GLY A 64 287.655 251.657 243.378 1.00 0.00 C +ATOM 65 CA GLU A 65 285.323 252.676 246.213 1.00 0.00 C +ATOM 66 CA MET A 66 285.648 250.722 249.468 1.00 0.00 C +ATOM 67 CA ALA A 67 284.036 247.630 251.004 1.00 0.00 C +ATOM 68 CA ARG A 68 280.728 248.425 252.718 1.00 0.00 C +ATOM 69 CA GLN A 69 280.490 252.122 253.609 1.00 0.00 C +ATOM 70 CA TRP A 70 279.068 255.589 254.295 1.00 0.00 C +ATOM 71 CA LYS A 71 281.571 258.056 255.766 1.00 0.00 C +ATOM 72 CA ASP A 72 282.294 260.204 258.829 1.00 0.00 C +ATOM 73 CA ALA A 73 280.680 259.958 262.271 1.00 0.00 C +ATOM 74 CA PRO A 74 279.569 256.329 262.603 1.00 0.00 C +ATOM 75 CA GLU A 75 276.404 254.241 262.985 1.00 0.00 C +ATOM 76 CA ASN A 76 273.852 251.683 264.191 1.00 0.00 C +ATOM 77 CA PRO A 77 270.973 252.682 266.478 1.00 0.00 C +ATOM 78 CA ASN A 78 269.940 256.334 266.142 1.00 0.00 C +ATOM 79 CA ARG A 79 271.811 259.371 264.804 1.00 0.00 C +ATOM 80 CA GLY A 80 270.151 262.126 262.762 1.00 0.00 C +ATOM 81 CA ALA A 81 269.619 265.633 261.370 1.00 0.00 C +ATOM 82 CA GLU A 82 267.031 267.877 263.037 1.00 0.00 C +ATOM 83 CA PRO A 83 264.137 269.894 261.597 1.00 0.00 C +ATOM 84 CA ARG A 84 261.359 271.125 259.299 1.00 0.00 C +ATOM 85 CA ALA A 85 259.883 272.036 255.907 1.00 0.00 C +ATOM 86 CA ARG A 86 258.867 275.707 255.850 1.00 0.00 C +ATOM 87 CA LYS A 87 259.351 278.441 258.459 1.00 0.00 C +ATOM 88 CA PRO A 88 256.841 281.072 259.597 1.00 0.00 C +ATOM 89 CA LYS A 89 257.448 284.749 258.806 1.00 0.00 C +ATOM 90 CA GLU A 90 260.017 286.045 261.304 1.00 0.00 C +ATOM 91 CA PRO A 91 259.798 289.621 262.599 1.00 0.00 C +ATOM 92 CA LYS A 92 259.140 289.352 266.342 1.00 0.00 C +ATOM 93 CA ALA A 93 261.415 290.502 269.173 1.00 0.00 C +ATOM 94 CA LYS A 94 260.178 292.898 271.865 1.00 0.00 C +ATOM 95 CA ALA A 95 258.742 296.204 273.100 1.00 0.00 C +ATOM 96 CA ALA A 96 255.057 297.009 272.562 1.00 0.00 C +ATOM 97 CA PRO A 97 252.607 297.700 275.397 1.00 0.00 C +ATOM 98 CA LYS A 98 249.566 295.641 276.410 1.00 0.00 C +ATOM 99 CA LYS A 99 249.836 291.845 276.226 1.00 0.00 C +ATOM 100 CA ALA A 100 251.484 289.980 273.341 1.00 0.00 C +ATOM 101 CA ALA A 101 252.277 287.966 270.206 1.00 0.00 C +ATOM 102 CA ALA A 102 251.024 284.842 268.421 1.00 0.00 C +ATOM 103 CA THR A 103 247.860 283.923 266.508 1.00 0.00 C +ATOM 104 CA LYS A 104 244.517 282.547 265.305 1.00 0.00 C +ATOM 105 CA LYS A 105 243.004 280.015 262.894 1.00 0.00 C +ATOM 106 CA ALA A 106 245.530 277.177 262.601 1.00 0.00 C +ATOM 107 CA ALA A 107 249.176 276.542 263.505 1.00 0.00 C +ATOM 108 CA PRO A 108 251.918 274.216 262.247 1.00 0.00 C +ATOM 109 CA LYS A 109 253.377 274.400 258.732 1.00 0.00 C +ATOM 110 CA LYS A 110 251.137 272.894 256.044 1.00 0.00 C +ATOM 111 CA LYS A 111 253.169 270.611 253.769 1.00 0.00 C +ATOM 112 CA ALA A 112 253.474 267.484 251.614 1.00 0.00 C +ATOM 113 CA LYS A 113 252.943 263.916 250.389 1.00 0.00 C +ATOM 114 CA LYS A 114 250.696 261.497 248.487 1.00 0.00 C +ATOM 115 CA ASP A 115 249.551 260.889 244.904 1.00 0.00 C +ATOM 116 CA GLU A 116 251.490 260.262 241.685 1.00 0.00 C +ATOM 117 CA SER A 117 251.900 260.109 237.901 1.00 0.00 C +ATOM 118 CA GLU A 118 252.475 256.643 236.425 1.00 0.00 C +ATOM 119 CA ASP A 119 253.080 253.184 237.902 1.00 0.00 C +ATOM 120 CA GLU A 120 254.058 249.569 237.202 1.00 0.00 C +ATOM 121 CA GLU A 121 251.384 246.862 236.997 1.00 0.00 C +ATOM 122 CA ALA A 122 251.000 244.840 240.204 1.00 0.00 C +ATOM 123 CA ASP A 123 248.782 241.753 239.947 1.00 0.00 C +ATOM 124 CA GLU A 124 247.499 240.870 243.424 1.00 0.00 C +ATOM 125 CA GLU A 125 247.510 241.503 247.181 1.00 0.00 C +ATOM 126 CA GLU A 126 250.776 241.965 249.088 1.00 0.00 C +ATOM 127 CA GLU A 127 253.475 243.681 247.018 1.00 0.00 C +ATOM 128 CA THR A 128 253.426 247.473 247.388 1.00 0.00 C +ATOM 129 CA GLY A 129 251.754 250.036 249.657 1.00 0.00 C +ATOM 130 CA LYS A 130 248.223 248.922 250.555 1.00 0.00 C +ATOM 131 CA LYS A 131 245.203 250.787 249.169 1.00 0.00 C +ATOM 132 CA GLY A 132 242.946 253.436 250.718 1.00 0.00 C +ATOM 133 CA SER A 133 239.376 253.379 249.387 1.00 0.00 C +ATOM 134 CA SER A 134 238.367 252.087 245.947 1.00 0.00 C +ATOM 135 CA ASP A 135 239.092 254.966 243.559 1.00 0.00 C +ATOM 136 CA PRO A 136 235.690 256.183 242.350 1.00 0.00 C +ATOM 137 CA MET A 137 233.866 258.563 240.000 1.00 0.00 C +ATOM 138 CA GLU A 138 233.475 261.914 241.771 1.00 0.00 C +ATOM 139 CA GLY A 139 231.364 262.544 244.879 1.00 0.00 C +ATOM 140 CA GLU A 140 231.038 263.662 248.507 1.00 0.00 C +ATOM 141 CA ASP A 141 229.547 263.172 251.979 1.00 0.00 C +ATOM 142 CA ASP A 142 230.808 260.425 254.298 1.00 0.00 C +ATOM 143 CA ALA A 143 230.480 261.636 257.896 1.00 0.00 C +ATOM 144 CA GLY A 144 227.018 262.185 259.389 1.00 0.00 C +ATOM 145 CA ASP A 145 225.161 265.474 258.893 1.00 0.00 C +ATOM 146 CA GLU A 146 224.912 266.366 255.197 1.00 0.00 C +ATOM 147 CA SER A 147 223.756 269.851 254.178 1.00 0.00 C +ATOM 148 CA ASP A 148 222.069 271.619 257.101 1.00 0.00 C +TER 149 ASP A 148 +END diff --git a/Fungi/A0A9P7QYI3/A0A9P7QYI3.dcd b/Fungi/A0A9P7QYI3/A0A9P7QYI3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d70a2cd25d4254dcee5239b5db9e234ee06059b8 --- /dev/null +++ b/Fungi/A0A9P7QYI3/A0A9P7QYI3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1c2021253f46cb74440eda7abe2a353d1c5c624d0688eee386b691e80c7c4547 +size 9560276 diff --git a/Fungi/A0A9P7QYI3/top.pdb b/Fungi/A0A9P7QYI3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..593079a48ba0c0ad925b8d124e73421df12fb286 --- /dev/null +++ b/Fungi/A0A9P7QYI3/top.pdb @@ -0,0 +1,77 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 264.103 261.630 278.940 1.00 0.00 C +ATOM 2 CA PRO A 2 262.052 262.319 275.804 1.00 0.00 C +ATOM 3 CA ALA A 3 259.283 264.873 275.232 1.00 0.00 C +ATOM 4 CA SER A 4 256.790 267.710 275.737 1.00 0.00 C +ATOM 5 CA HIS A 5 257.622 271.416 276.028 1.00 0.00 C +ATOM 6 CA ARG A 6 260.667 273.050 277.633 1.00 0.00 C +ATOM 7 CA SER A 7 260.135 276.807 277.974 1.00 0.00 C +ATOM 8 CA SER A 8 262.698 279.505 277.155 1.00 0.00 C +ATOM 9 CA GLN A 9 263.367 280.133 273.457 1.00 0.00 C +ATOM 10 CA HIS A 10 261.453 277.939 270.999 1.00 0.00 C +ATOM 11 CA ASN A 11 261.556 274.156 271.440 1.00 0.00 C +ATOM 12 CA HIS A 12 259.606 272.226 268.796 1.00 0.00 C +ATOM 13 CA ALA A 13 257.708 274.683 266.588 1.00 0.00 C +ATOM 14 CA GLY A 14 256.145 277.915 265.312 1.00 0.00 C +ATOM 15 CA SER A 15 252.395 278.145 265.949 1.00 0.00 C +ATOM 16 CA SER A 16 250.938 274.867 264.664 1.00 0.00 C +ATOM 17 CA SER A 17 251.275 271.195 263.709 1.00 0.00 C +ATOM 18 CA SER A 18 254.684 269.529 264.053 1.00 0.00 C +ATOM 19 CA LYS A 19 257.417 267.571 262.261 1.00 0.00 C +ATOM 20 CA ALA A 20 256.136 264.240 260.927 1.00 0.00 C +ATOM 21 CA ALA A 21 255.697 261.655 263.692 1.00 0.00 C +ATOM 22 CA GLU A 22 255.616 257.896 264.303 1.00 0.00 C +ATOM 23 CA LYS A 23 252.491 255.742 264.637 1.00 0.00 C +ATOM 24 CA HIS A 24 249.245 255.463 262.662 1.00 0.00 C +ATOM 25 CA PRO A 25 250.276 255.538 258.995 1.00 0.00 C +ATOM 26 CA SER A 26 250.603 258.806 257.064 1.00 0.00 C +ATOM 27 CA ASP A 27 250.920 259.079 253.277 1.00 0.00 C +ATOM 28 CA GLY A 28 252.268 261.562 250.721 1.00 0.00 C +ATOM 29 CA LYS A 29 252.756 259.950 247.304 1.00 0.00 C +ATOM 30 CA ALA A 30 256.302 258.707 246.678 1.00 0.00 C +ATOM 31 CA SER A 31 256.490 254.904 246.835 1.00 0.00 C +ATOM 32 CA ARG A 32 254.422 253.126 249.494 1.00 0.00 C +ATOM 33 CA GLU A 33 254.430 252.933 253.300 1.00 0.00 C +ATOM 34 CA SER A 34 257.118 252.323 255.930 1.00 0.00 C +ATOM 35 CA ARG A 35 260.605 250.787 255.944 1.00 0.00 C +ATOM 36 CA PHE A 36 262.418 250.542 252.602 1.00 0.00 C +ATOM 37 CA GLU A 37 261.110 247.315 251.054 1.00 0.00 C +ATOM 38 CA ARG A 38 257.805 245.440 251.324 1.00 0.00 C +ATOM 39 CA PHE A 39 254.746 247.099 249.773 1.00 0.00 C +ATOM 40 CA GLU A 40 252.317 247.586 246.878 1.00 0.00 C +ATOM 41 CA LYS A 41 248.749 247.001 245.678 1.00 0.00 C +ATOM 42 CA ASP A 42 246.175 248.512 248.046 1.00 0.00 C +ATOM 43 CA THR A 43 245.152 246.333 250.999 1.00 0.00 C +ATOM 44 CA GLU A 44 247.015 245.117 254.093 1.00 0.00 C +ATOM 45 CA ASP A 45 245.106 244.419 257.315 1.00 0.00 C +ATOM 46 CA ASN A 46 244.348 241.132 259.087 1.00 0.00 C +ATOM 47 CA LEU A 47 243.832 238.242 256.659 1.00 0.00 C +ATOM 48 CA PHE A 48 243.689 237.337 252.961 1.00 0.00 C +ATOM 49 CA ALA A 49 244.168 234.505 250.458 1.00 0.00 C +ATOM 50 CA ARG A 50 244.479 235.403 246.769 1.00 0.00 C +ATOM 51 CA LEU A 51 242.048 233.078 244.980 1.00 0.00 C +ATOM 52 CA GLN A 52 243.582 231.142 242.080 1.00 0.00 C +ATOM 53 CA ASP A 53 242.028 231.074 238.602 1.00 0.00 C +ATOM 54 CA ALA A 54 240.130 233.308 236.169 1.00 0.00 C +ATOM 55 CA GLU A 55 239.401 233.962 232.487 1.00 0.00 C +ATOM 56 CA PRO A 56 238.037 230.806 230.845 1.00 0.00 C +ATOM 57 CA ILE A 57 236.957 227.216 231.527 1.00 0.00 C +ATOM 58 CA SER A 58 233.162 227.411 231.798 1.00 0.00 C +ATOM 59 CA GLN A 59 231.708 227.028 228.297 1.00 0.00 C +ATOM 60 CA ASN A 60 230.669 227.209 224.636 1.00 0.00 C +ATOM 61 CA LEU A 61 231.348 226.620 220.934 1.00 0.00 C +ATOM 62 CA GLU A 62 232.786 225.404 217.622 1.00 0.00 C +ATOM 63 CA GLU A 63 236.242 224.074 218.517 1.00 0.00 C +ATOM 64 CA GLU A 64 239.856 224.526 217.397 1.00 0.00 C +ATOM 65 CA LEU A 65 240.784 228.037 218.547 1.00 0.00 C +ATOM 66 CA ASP A 66 243.261 228.804 221.338 1.00 0.00 C +ATOM 67 CA GLN A 67 246.943 228.483 222.262 1.00 0.00 C +ATOM 68 CA ASP A 68 250.258 229.747 223.653 1.00 0.00 C +ATOM 69 CA LEU A 69 250.419 233.515 224.191 1.00 0.00 C +ATOM 70 CA GLU A 70 246.956 234.842 223.320 1.00 0.00 C +ATOM 71 CA LYS A 71 246.765 238.414 224.631 1.00 0.00 C +ATOM 72 CA LEU A 72 245.186 240.199 227.604 1.00 0.00 C +ATOM 73 CA THR A 73 245.099 240.738 231.374 1.00 0.00 C +TER 74 THR A 73 +END diff --git a/Fungi/A0A9P7RYP0/A0A9P7RYP0.dcd b/Fungi/A0A9P7RYP0/A0A9P7RYP0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c39ada46d47f7226dc8145abd8d4ed563deedc1d --- /dev/null +++ b/Fungi/A0A9P7RYP0/A0A9P7RYP0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c49a91a9fd933d643a8d6e639db6400db866d8d597021b19da75fc530b3744d5 +size 15200276 diff --git a/Fungi/A0A9P7RYP0/top.pdb b/Fungi/A0A9P7RYP0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f9687fd17c1884c9534d90ef851be618d65b6279 --- /dev/null +++ b/Fungi/A0A9P7RYP0/top.pdb @@ -0,0 +1,124 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 247.873 241.508 215.913 1.00 0.00 C +ATOM 2 CA SER A 2 246.430 240.483 219.286 1.00 0.00 C +ATOM 3 CA THR A 3 248.033 237.766 221.423 1.00 0.00 C +ATOM 4 CA ASN A 4 251.238 236.376 222.943 1.00 0.00 C +ATOM 5 CA LEU A 5 253.189 238.238 225.633 1.00 0.00 C +ATOM 6 CA ASN A 6 252.603 239.923 229.000 1.00 0.00 C +ATOM 7 CA GLN A 7 255.187 241.075 231.552 1.00 0.00 C +ATOM 8 CA LYS A 8 256.679 244.574 231.330 1.00 0.00 C +ATOM 9 CA LEU A 9 256.025 247.092 234.114 1.00 0.00 C +ATOM 10 CA GLU A 10 252.860 247.606 236.171 1.00 0.00 C +ATOM 11 CA LEU A 11 250.550 246.338 238.923 1.00 0.00 C +ATOM 12 CA GLU A 12 247.847 247.606 241.289 1.00 0.00 C +ATOM 13 CA GLN A 13 244.420 248.622 239.970 1.00 0.00 C +ATOM 14 CA THR A 14 241.276 250.113 241.524 1.00 0.00 C +ATOM 15 CA SER A 15 238.135 248.020 241.007 1.00 0.00 C +ATOM 16 CA HIS A 16 234.920 245.985 241.208 1.00 0.00 C +ATOM 17 CA PRO A 17 232.913 244.315 238.433 1.00 0.00 C +ATOM 18 CA LYS A 18 229.749 245.409 236.614 1.00 0.00 C +ATOM 19 CA THR A 19 229.995 248.763 234.822 1.00 0.00 C +ATOM 20 CA LYS A 20 228.341 251.733 233.103 1.00 0.00 C +ATOM 21 CA GLU A 21 225.186 253.849 233.401 1.00 0.00 C +ATOM 22 CA THR A 22 222.296 252.519 235.498 1.00 0.00 C +ATOM 23 CA ARG A 23 219.652 254.637 237.240 1.00 0.00 C +ATOM 24 CA GLY A 24 221.127 257.355 239.465 1.00 0.00 C +ATOM 25 CA PRO A 25 223.248 256.895 242.596 1.00 0.00 C +ATOM 26 CA THR A 26 224.488 257.065 246.195 1.00 0.00 C +ATOM 27 CA ALA A 27 225.909 260.334 247.541 1.00 0.00 C +ATOM 28 CA PRO A 28 229.438 260.200 248.971 1.00 0.00 C +ATOM 29 CA SER A 29 232.730 258.991 247.482 1.00 0.00 C +ATOM 30 CA GLY A 30 234.258 255.502 247.594 1.00 0.00 C +ATOM 31 CA GLY A 31 233.236 253.208 250.460 1.00 0.00 C +ATOM 32 CA ASN A 32 235.141 251.388 253.212 1.00 0.00 C +ATOM 33 CA GLU A 33 238.046 253.020 255.059 1.00 0.00 C +ATOM 34 CA ALA A 34 240.295 256.059 255.531 1.00 0.00 C +ATOM 35 CA GLN A 35 242.553 259.128 255.487 1.00 0.00 C +ATOM 36 CA TRP A 36 244.918 259.790 252.574 1.00 0.00 C +ATOM 37 CA ASN A 37 245.401 263.564 252.384 1.00 0.00 C +ATOM 38 CA ILE A 38 246.393 266.633 254.413 1.00 0.00 C +ATOM 39 CA VAL A 39 248.822 268.225 256.879 1.00 0.00 C +ATOM 40 CA SER A 40 252.545 267.533 256.456 1.00 0.00 C +ATOM 41 CA TYR A 41 255.297 268.505 258.905 1.00 0.00 C +ATOM 42 CA LYS A 42 256.993 271.854 259.555 1.00 0.00 C +ATOM 43 CA ARG A 43 258.080 274.549 262.020 1.00 0.00 C +ATOM 44 CA HIS A 44 257.146 277.926 260.524 1.00 0.00 C +ATOM 45 CA HIS A 45 255.943 277.245 256.974 1.00 0.00 C +ATOM 46 CA ARG A 46 252.566 276.504 255.371 1.00 0.00 C +ATOM 47 CA PHE A 47 248.766 276.404 255.117 1.00 0.00 C +ATOM 48 CA GLU A 48 245.839 275.158 253.021 1.00 0.00 C +ATOM 49 CA ASN A 49 242.607 276.203 254.747 1.00 0.00 C +ATOM 50 CA HIS A 50 241.270 273.829 257.410 1.00 0.00 C +ATOM 51 CA ARG A 51 237.992 271.891 257.289 1.00 0.00 C +ATOM 52 CA SER A 52 236.767 269.944 254.251 1.00 0.00 C +ATOM 53 CA GLN A 53 239.439 269.430 251.584 1.00 0.00 C +ATOM 54 CA THR A 54 242.754 269.448 249.706 1.00 0.00 C +ATOM 55 CA VAL A 55 243.526 266.771 247.107 1.00 0.00 C +ATOM 56 CA ARG A 56 247.058 266.768 245.678 1.00 0.00 C +ATOM 57 CA SER A 57 249.807 269.374 245.273 1.00 0.00 C +ATOM 58 CA ASP A 58 250.911 271.365 242.218 1.00 0.00 C +ATOM 59 CA SER A 59 253.817 273.571 243.316 1.00 0.00 C +ATOM 60 CA SER A 60 256.760 272.722 245.582 1.00 0.00 C +ATOM 61 CA SER A 61 257.726 269.833 247.870 1.00 0.00 C +ATOM 62 CA ASN A 62 260.300 267.031 247.659 1.00 0.00 C +ATOM 63 CA VAL A 63 263.468 267.604 245.621 1.00 0.00 C +ATOM 64 CA PRO A 64 266.948 269.063 245.095 1.00 0.00 C +ATOM 65 CA SER A 65 269.127 268.011 248.038 1.00 0.00 C +ATOM 66 CA ILE A 66 269.461 270.505 250.900 1.00 0.00 C +ATOM 67 CA TYR A 67 269.603 274.307 250.700 1.00 0.00 C +ATOM 68 CA GLY A 68 268.169 275.463 247.365 1.00 0.00 C +ATOM 69 CA ALA A 69 265.812 278.339 246.533 1.00 0.00 C +ATOM 70 CA GLY A 70 262.751 277.965 248.771 1.00 0.00 C +ATOM 71 CA THR A 71 261.675 274.751 250.512 1.00 0.00 C +ATOM 72 CA ASN A 72 261.642 274.398 254.306 1.00 0.00 C +ATOM 73 CA THR A 73 262.546 271.094 255.974 1.00 0.00 C +ATOM 74 CA HIS A 74 263.964 267.936 257.566 1.00 0.00 C +ATOM 75 CA GLY A 75 262.805 266.703 260.979 1.00 0.00 C +ATOM 76 CA GLY A 76 262.040 266.152 264.671 1.00 0.00 C +ATOM 77 CA SER A 77 265.049 265.219 266.814 1.00 0.00 C +ATOM 78 CA GLY A 78 267.184 262.255 265.731 1.00 0.00 C +ATOM 79 CA GLY A 79 266.963 262.106 261.931 1.00 0.00 C +ATOM 80 CA GLY A 80 265.328 260.159 259.093 1.00 0.00 C +ATOM 81 CA SER A 81 263.518 257.538 257.003 1.00 0.00 C +ATOM 82 CA ARG A 82 264.821 253.971 257.307 1.00 0.00 C +ATOM 83 CA GLY A 83 265.325 250.272 258.071 1.00 0.00 C +ATOM 84 CA ARG A 84 268.084 248.603 256.042 1.00 0.00 C +ATOM 85 CA ARG A 85 267.924 244.797 256.143 1.00 0.00 C +ATOM 86 CA SER A 86 269.772 242.320 258.370 1.00 0.00 C +ATOM 87 CA ARG A 87 273.015 240.526 259.251 1.00 0.00 C +ATOM 88 CA GLY A 88 275.283 238.006 257.512 1.00 0.00 C +ATOM 89 CA ARG A 89 274.476 238.288 253.799 1.00 0.00 C +ATOM 90 CA ALA A 90 272.811 235.771 251.472 1.00 0.00 C +ATOM 91 CA THR A 91 273.678 232.829 249.212 1.00 0.00 C +ATOM 92 CA GLY A 92 273.341 230.490 246.224 1.00 0.00 C +ATOM 93 CA GLU A 93 273.461 228.054 243.297 1.00 0.00 C +ATOM 94 CA HIS A 94 271.030 228.320 240.375 1.00 0.00 C +ATOM 95 CA ALA A 95 268.848 231.059 238.874 1.00 0.00 C +ATOM 96 CA GLY A 96 268.061 233.871 241.322 1.00 0.00 C +ATOM 97 CA THR A 97 267.190 236.571 243.865 1.00 0.00 C +ATOM 98 CA GLY A 98 266.996 236.818 247.662 1.00 0.00 C +ATOM 99 CA SER A 99 264.044 235.226 249.470 1.00 0.00 C +ATOM 100 CA VAL A 100 264.462 233.189 252.662 1.00 0.00 C +ATOM 101 CA ASN A 101 263.538 229.492 252.648 1.00 0.00 C +ATOM 102 CA VAL A 102 260.230 227.979 253.779 1.00 0.00 C +ATOM 103 CA SER A 103 257.192 225.777 254.441 1.00 0.00 C +ATOM 104 CA THR A 104 254.910 223.495 256.466 1.00 0.00 C +ATOM 105 CA PHE A 105 251.157 224.146 256.352 1.00 0.00 C +ATOM 106 CA ARG A 106 248.043 223.648 258.490 1.00 0.00 C +ATOM 107 CA ALA A 107 244.827 223.627 260.532 1.00 0.00 C +ATOM 108 CA SER A 108 242.437 220.680 260.180 1.00 0.00 C +ATOM 109 CA SER A 109 240.257 218.473 257.969 1.00 0.00 C +ATOM 110 CA PRO A 110 237.646 217.002 260.322 1.00 0.00 C +ATOM 111 CA SER A 111 234.613 214.930 261.332 1.00 0.00 C +ATOM 112 CA VAL A 112 234.984 211.489 259.740 1.00 0.00 C +ATOM 113 CA SER A 113 232.707 209.246 261.813 1.00 0.00 C +ATOM 114 CA ALA A 114 229.303 207.607 262.309 1.00 0.00 C +ATOM 115 CA VAL A 115 227.857 204.618 264.176 1.00 0.00 C +ATOM 116 CA GLY A 116 224.176 205.367 264.811 1.00 0.00 C +ATOM 117 CA SER A 117 222.250 207.785 267.039 1.00 0.00 C +ATOM 118 CA GLY A 118 219.461 208.381 269.565 1.00 0.00 C +ATOM 119 CA GLN A 119 219.431 210.085 272.973 1.00 0.00 C +ATOM 120 CA SER A 120 218.993 213.856 272.656 1.00 0.00 C +TER 121 SER A 120 +END diff --git a/Fungi/A0A9P7SBT7/A0A9P7SBT7.dcd b/Fungi/A0A9P7SBT7/A0A9P7SBT7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b8810ec785a38a9d93cbbd56b25bac8a6380934d --- /dev/null +++ b/Fungi/A0A9P7SBT7/A0A9P7SBT7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e891a78516e2faab796cf156d64baf8fbd78d031af8748ec52e49eea4fe6c16d +size 7760276 diff --git a/Fungi/A0A9P7SBT7/top.pdb b/Fungi/A0A9P7SBT7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..cab73d58cac42d2e1d31a35e5950d6b250fce875 --- /dev/null +++ b/Fungi/A0A9P7SBT7/top.pdb @@ -0,0 +1,62 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ALA A 1 264.869 228.241 260.191 1.00 0.00 C +ATOM 2 CA ARG A 2 263.754 231.573 258.718 1.00 0.00 C +ATOM 3 CA GLU A 3 261.086 234.173 257.921 1.00 0.00 C +ATOM 4 CA ALA A 4 260.369 235.782 254.543 1.00 0.00 C +ATOM 5 CA TYR A 5 261.000 234.753 250.929 1.00 0.00 C +ATOM 6 CA LEU A 6 257.780 235.450 249.015 1.00 0.00 C +ATOM 7 CA ASN A 7 254.871 236.565 251.207 1.00 0.00 C +ATOM 8 CA ARG A 8 254.952 240.373 251.145 1.00 0.00 C +ATOM 9 CA PRO A 9 255.767 243.733 252.747 1.00 0.00 C +ATOM 10 CA THR A 10 254.948 246.262 255.476 1.00 0.00 C +ATOM 11 CA CYS A 11 256.121 249.694 254.310 1.00 0.00 C +ATOM 12 CA PHE A 12 259.626 251.187 254.323 1.00 0.00 C +ATOM 13 CA ALA A 13 259.915 254.174 251.975 1.00 0.00 C +ATOM 14 CA ILE A 14 258.438 257.676 252.247 1.00 0.00 C +ATOM 15 CA PRO A 15 255.053 259.198 251.390 1.00 0.00 C +ATOM 16 CA ALA A 16 252.320 260.453 253.730 1.00 0.00 C +ATOM 17 CA ALA A 17 250.429 263.710 254.306 1.00 0.00 C +ATOM 18 CA THR A 18 248.863 266.543 256.316 1.00 0.00 C +ATOM 19 CA GLU A 19 249.141 269.813 254.381 1.00 0.00 C +ATOM 20 CA GLU A 20 250.458 270.595 250.893 1.00 0.00 C +ATOM 21 CA SER A 21 252.152 268.570 248.146 1.00 0.00 C +ATOM 22 CA ARG A 22 252.131 265.683 245.659 1.00 0.00 C +ATOM 23 CA LEU A 23 252.330 261.878 245.651 1.00 0.00 C +ATOM 24 CA HIS A 24 250.037 259.133 246.962 1.00 0.00 C +ATOM 25 CA GLU A 25 246.587 257.537 247.222 1.00 0.00 C +ATOM 26 CA PRO A 26 245.449 257.968 250.833 1.00 0.00 C +ATOM 27 CA GLU A 27 244.321 261.452 251.883 1.00 0.00 C +ATOM 28 CA ALA A 28 242.972 261.884 255.420 1.00 0.00 C +ATOM 29 CA THR A 29 241.969 258.382 256.538 1.00 0.00 C +ATOM 30 CA PRO A 30 238.441 256.974 256.830 1.00 0.00 C +ATOM 31 CA PRO A 31 238.011 255.787 260.425 1.00 0.00 C +ATOM 32 CA SER A 32 237.756 252.698 262.640 1.00 0.00 C +ATOM 33 CA PRO A 33 235.285 250.085 261.381 1.00 0.00 C +ATOM 34 CA ARG A 34 232.481 247.516 261.614 1.00 0.00 C +ATOM 35 CA ARG A 35 231.060 244.281 260.189 1.00 0.00 C +ATOM 36 CA ARG A 36 232.283 241.211 258.293 1.00 0.00 C +ATOM 37 CA PRO A 37 232.843 241.232 254.524 1.00 0.00 C +ATOM 38 CA SER A 38 233.200 244.058 251.993 1.00 0.00 C +ATOM 39 CA GLN A 39 235.086 247.250 252.871 1.00 0.00 C +ATOM 40 CA GLU A 40 236.797 249.276 250.135 1.00 0.00 C +ATOM 41 CA GLY A 41 239.400 249.163 247.355 1.00 0.00 C +ATOM 42 CA ARG A 42 241.063 249.448 243.939 1.00 0.00 C +ATOM 43 CA LYS A 43 242.858 252.751 243.317 1.00 0.00 C +ATOM 44 CA THR A 44 242.902 254.362 239.864 1.00 0.00 C +ATOM 45 CA PHE A 45 246.071 253.326 238.021 1.00 0.00 C +ATOM 46 CA GLY A 46 248.592 250.758 236.769 1.00 0.00 C +ATOM 47 CA LYS A 47 248.348 247.165 238.012 1.00 0.00 C +ATOM 48 CA PRO A 48 250.233 243.871 238.343 1.00 0.00 C +ATOM 49 CA GLN A 49 252.886 243.865 241.078 1.00 0.00 C +ATOM 50 CA PRO A 50 256.685 243.827 241.360 1.00 0.00 C +ATOM 51 CA ASN A 51 258.393 245.805 244.132 1.00 0.00 C +ATOM 52 CA ALA A 52 259.742 246.510 247.625 1.00 0.00 C +ATOM 53 CA ASP A 53 262.444 243.872 248.135 1.00 0.00 C +ATOM 54 CA SER A 54 262.604 241.502 245.156 1.00 0.00 C +ATOM 55 CA ASP A 55 264.138 243.512 242.306 1.00 0.00 C +ATOM 56 CA GLU A 56 263.348 245.861 239.412 1.00 0.00 C +ATOM 57 CA ALA A 57 261.143 245.933 236.305 1.00 0.00 C +ATOM 58 CA HIS A 58 258.200 245.665 233.901 1.00 0.00 C +TER 59 HIS A 58 +END diff --git a/Fungi/A0A9P8E7X1/A0A9P8E7X1.dcd b/Fungi/A0A9P8E7X1/A0A9P8E7X1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..62d696aff7f2d052f183c98345351d1cb00aa03e --- /dev/null +++ b/Fungi/A0A9P8E7X1/A0A9P8E7X1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:60f33bf1f766337c1315665bbcb81d43092e47ed8fcc0356dd9f3d928a6b220d +size 14720276 diff --git a/Fungi/A0A9P8E7X1/top.pdb b/Fungi/A0A9P8E7X1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..bcc3a317ef5c868330690651fab0a0f31a8c586a --- /dev/null +++ b/Fungi/A0A9P8E7X1/top.pdb @@ -0,0 +1,120 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 261.075 200.662 207.806 1.00 0.00 C +ATOM 2 CA SER A 2 264.268 199.594 209.589 1.00 0.00 C +ATOM 3 CA SER A 3 263.775 199.804 213.361 1.00 0.00 C +ATOM 4 CA HIS A 4 266.552 201.648 215.206 1.00 0.00 C +ATOM 5 CA SER A 5 269.033 201.675 218.097 1.00 0.00 C +ATOM 6 CA SER A 6 269.840 202.378 221.754 1.00 0.00 C +ATOM 7 CA SER A 7 269.331 205.391 224.030 1.00 0.00 C +ATOM 8 CA PHE A 8 267.166 208.255 222.757 1.00 0.00 C +ATOM 9 CA THR A 9 265.923 211.222 224.799 1.00 0.00 C +ATOM 10 CA SER A 10 269.038 213.083 225.961 1.00 0.00 C +ATOM 11 CA THR A 11 270.351 216.465 224.796 1.00 0.00 C +ATOM 12 CA SER A 12 271.400 220.127 224.827 1.00 0.00 C +ATOM 13 CA TYR A 13 273.161 223.067 223.162 1.00 0.00 C +ATOM 14 CA SER A 14 273.266 226.854 222.763 1.00 0.00 C +ATOM 15 CA TYR A 15 269.724 228.151 223.301 1.00 0.00 C +ATOM 16 CA SER A 16 267.220 230.509 224.939 1.00 0.00 C +ATOM 17 CA SER A 17 264.772 231.128 227.793 1.00 0.00 C +ATOM 18 CA SER A 18 266.385 232.557 230.935 1.00 0.00 C +ATOM 19 CA SER A 19 266.071 231.731 234.640 1.00 0.00 C +ATOM 20 CA SER A 20 268.178 230.683 237.637 1.00 0.00 C +ATOM 21 CA SER A 21 267.873 226.898 237.944 1.00 0.00 C +ATOM 22 CA SER A 22 264.234 226.152 237.094 1.00 0.00 C +ATOM 23 CA ASN A 23 261.073 224.236 236.172 1.00 0.00 C +ATOM 24 CA GLY A 24 257.357 223.422 236.378 1.00 0.00 C +ATOM 25 CA GLN A 25 255.463 226.714 236.684 1.00 0.00 C +ATOM 26 CA THR A 26 254.297 230.256 237.464 1.00 0.00 C +ATOM 27 CA THR A 27 256.077 233.617 237.238 1.00 0.00 C +ATOM 28 CA GLY A 28 259.836 233.079 237.541 1.00 0.00 C +ATOM 29 CA VAL A 29 261.648 234.844 240.390 1.00 0.00 C +ATOM 30 CA THR A 30 261.716 237.040 243.502 1.00 0.00 C +ATOM 31 CA HIS A 31 261.313 239.648 246.251 1.00 0.00 C +ATOM 32 CA SER A 32 263.796 242.310 247.374 1.00 0.00 C +ATOM 33 CA THR A 33 265.511 245.558 246.362 1.00 0.00 C +ATOM 34 CA GLN A 34 266.257 247.914 243.462 1.00 0.00 C +ATOM 35 CA SER A 35 263.858 250.822 242.910 1.00 0.00 C +ATOM 36 CA HIS A 36 260.069 250.544 242.632 1.00 0.00 C +ATOM 37 CA THR A 37 257.293 248.499 241.009 1.00 0.00 C +ATOM 38 CA ASN A 38 253.550 249.197 241.146 1.00 0.00 C +ATOM 39 CA PRO A 39 252.466 252.733 240.230 1.00 0.00 C +ATOM 40 CA ASP A 40 249.122 254.558 240.183 1.00 0.00 C +ATOM 41 CA GLY A 41 249.027 257.782 238.156 1.00 0.00 C +ATOM 42 CA THR A 42 251.921 258.384 235.752 1.00 0.00 C +ATOM 43 CA THR A 43 255.572 259.088 236.579 1.00 0.00 C +ATOM 44 CA VAL A 44 258.569 257.141 235.257 1.00 0.00 C +ATOM 45 CA ARG A 45 261.628 255.178 236.400 1.00 0.00 C +ATOM 46 CA THR A 46 263.540 256.611 239.367 1.00 0.00 C +ATOM 47 CA THR A 47 261.558 259.179 241.365 1.00 0.00 C +ATOM 48 CA GLN A 48 258.886 258.265 243.924 1.00 0.00 C +ATOM 49 CA GLN A 49 256.058 260.619 244.912 1.00 0.00 C +ATOM 50 CA ASN A 50 252.632 261.534 246.306 1.00 0.00 C +ATOM 51 CA LEU A 51 250.852 258.195 246.752 1.00 0.00 C +ATOM 52 CA GLY A 52 250.121 257.778 250.468 1.00 0.00 C +ATOM 53 CA GLY A 53 249.557 261.275 251.871 1.00 0.00 C +ATOM 54 CA PRO A 54 252.146 264.070 251.859 1.00 0.00 C +ATOM 55 CA THR A 55 254.002 267.092 250.469 1.00 0.00 C +ATOM 56 CA VAL A 56 252.090 269.405 248.121 1.00 0.00 C +ATOM 57 CA GLU A 57 248.332 269.913 247.758 1.00 0.00 C +ATOM 58 CA GLU A 58 245.382 271.303 245.788 1.00 0.00 C +ATOM 59 CA THR A 59 241.575 271.219 245.647 1.00 0.00 C +ATOM 60 CA ARG A 60 238.211 270.648 243.951 1.00 0.00 C +ATOM 61 CA TYR A 61 234.487 271.342 244.356 1.00 0.00 C +ATOM 62 CA TYR A 62 233.343 273.922 246.915 1.00 0.00 C +ATOM 63 CA ASP A 63 230.681 272.259 249.074 1.00 0.00 C +ATOM 64 CA ASN A 64 227.995 272.076 251.770 1.00 0.00 C +ATOM 65 CA GLN A 65 224.929 269.961 250.967 1.00 0.00 C +ATOM 66 CA GLY A 66 225.844 267.337 248.361 1.00 0.00 C +ATOM 67 CA ARG A 67 229.056 266.904 246.357 1.00 0.00 C +ATOM 68 CA GLU A 68 228.880 264.227 243.653 1.00 0.00 C +ATOM 69 CA GLN A 69 231.698 264.326 241.091 1.00 0.00 C +ATOM 70 CA LEU A 70 233.816 261.296 240.171 1.00 0.00 C +ATOM 71 CA GLY A 71 237.618 261.551 240.176 1.00 0.00 C +ATOM 72 CA LEU A 72 238.751 263.382 243.319 1.00 0.00 C +ATOM 73 CA PRO A 73 237.834 265.042 246.624 1.00 0.00 C +ATOM 74 CA SER A 74 237.929 265.188 250.430 1.00 0.00 C +ATOM 75 CA SER A 75 234.817 263.997 252.277 1.00 0.00 C +ATOM 76 CA ASN A 76 234.902 265.467 255.790 1.00 0.00 C +ATOM 77 CA THR A 77 236.762 268.671 256.682 1.00 0.00 C +ATOM 78 CA SER A 78 234.943 271.614 258.277 1.00 0.00 C +ATOM 79 CA ASN A 79 236.435 274.034 260.813 1.00 0.00 C +ATOM 80 CA GLN A 80 235.691 276.777 263.351 1.00 0.00 C +ATOM 81 CA ARG A 81 236.028 278.185 266.875 1.00 0.00 C +ATOM 82 CA ARG A 82 233.500 276.346 269.052 1.00 0.00 C +ATOM 83 CA LEU A 83 232.364 278.211 272.174 1.00 0.00 C +ATOM 84 CA GLN A 84 228.977 279.441 273.414 1.00 0.00 C +ATOM 85 CA ASP A 85 227.642 277.317 276.282 1.00 0.00 C +ATOM 86 CA LEU A 86 229.806 278.199 279.291 1.00 0.00 C +ATOM 87 CA GLU A 87 228.170 279.114 282.608 1.00 0.00 C +ATOM 88 CA VAL A 88 224.559 279.029 283.821 1.00 0.00 C +ATOM 89 CA GLU A 89 223.179 275.477 283.809 1.00 0.00 C +ATOM 90 CA ASP A 90 222.311 272.938 281.105 1.00 0.00 C +ATOM 91 CA VAL A 91 223.482 269.313 281.040 1.00 0.00 C +ATOM 92 CA THR A 92 225.890 267.761 278.527 1.00 0.00 C +ATOM 93 CA ASP A 93 229.430 267.916 279.927 1.00 0.00 C +ATOM 94 CA GLU A 94 231.339 270.743 278.231 1.00 0.00 C +ATOM 95 CA SER A 95 232.489 272.785 275.227 1.00 0.00 C +ATOM 96 CA GLU A 96 235.195 270.782 273.443 1.00 0.00 C +ATOM 97 CA ALA A 97 236.607 267.253 273.184 1.00 0.00 C +ATOM 98 CA ASP A 98 240.297 266.978 274.091 1.00 0.00 C +ATOM 99 CA LYS A 99 242.165 263.765 273.253 1.00 0.00 C +ATOM 100 CA LYS A 100 244.281 261.632 270.909 1.00 0.00 C +ATOM 101 CA TYR A 101 245.561 258.118 271.634 1.00 0.00 C +ATOM 102 CA ARG A 102 248.718 256.507 273.031 1.00 0.00 C +ATOM 103 CA GLU A 103 248.686 252.698 272.969 1.00 0.00 C +ATOM 104 CA ALA A 104 250.011 249.218 272.160 1.00 0.00 C +ATOM 105 CA MET A 105 252.547 246.653 270.934 1.00 0.00 C +ATOM 106 CA GLU A 106 255.028 246.057 268.105 1.00 0.00 C +ATOM 107 CA ASP A 107 258.225 244.986 266.330 1.00 0.00 C +ATOM 108 CA GLU A 108 260.117 242.053 264.804 1.00 0.00 C +ATOM 109 CA TYR A 109 259.343 238.671 263.228 1.00 0.00 C +ATOM 110 CA ALA A 110 258.025 236.285 265.890 1.00 0.00 C +ATOM 111 CA LYS A 111 259.078 233.216 267.888 1.00 0.00 C +ATOM 112 CA ARG A 112 259.598 233.507 271.651 1.00 0.00 C +ATOM 113 CA GLU A 113 262.557 231.501 272.968 1.00 0.00 C +ATOM 114 CA GLY A 114 264.642 229.243 275.221 1.00 0.00 C +ATOM 115 CA GLY A 115 262.735 226.338 276.782 1.00 0.00 C +ATOM 116 CA ALA A 116 260.009 224.690 278.872 1.00 0.00 C +TER 117 ALA A 116 +END diff --git a/Fungi/A0A9P8F0P8/A0A9P8F0P8.dcd b/Fungi/A0A9P8F0P8/A0A9P8F0P8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..2dd894233328290e5fb9f467fff88a99ec62bcd3 --- /dev/null +++ b/Fungi/A0A9P8F0P8/A0A9P8F0P8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:091672972470593ccb5da1e00ea27ee216d0ef7118f2ffb0fb73c19463afa306 +size 19400276 diff --git a/Fungi/A0A9P8F0P8/top.pdb b/Fungi/A0A9P8F0P8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..dfb0c6dc9c24b2f0888e86540ce0229f80b95908 --- /dev/null +++ b/Fungi/A0A9P8F0P8/top.pdb @@ -0,0 +1,159 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 276.741 248.063 215.417 1.00 0.00 C +ATOM 2 CA ALA A 2 274.498 246.327 217.962 1.00 0.00 C +ATOM 3 CA THR A 3 271.690 245.119 220.236 1.00 0.00 C +ATOM 4 CA PHE A 4 268.469 245.932 218.371 1.00 0.00 C +ATOM 5 CA ASN A 5 264.977 246.482 219.793 1.00 0.00 C +ATOM 6 CA PRO A 6 264.993 249.992 221.275 1.00 0.00 C +ATOM 7 CA SER A 7 264.721 250.128 225.072 1.00 0.00 C +ATOM 8 CA SER A 8 266.602 253.117 226.502 1.00 0.00 C +ATOM 9 CA GLU A 9 266.919 255.737 223.754 1.00 0.00 C +ATOM 10 CA ALA A 10 263.502 257.243 222.997 1.00 0.00 C +ATOM 11 CA ASN A 11 260.486 257.804 225.257 1.00 0.00 C +ATOM 12 CA ASP A 12 258.597 254.614 226.138 1.00 0.00 C +ATOM 13 CA SER A 13 255.368 255.299 228.040 1.00 0.00 C +ATOM 14 CA ARG A 14 251.610 254.954 228.561 1.00 0.00 C +ATOM 15 CA MET A 15 250.541 251.577 227.156 1.00 0.00 C +ATOM 16 CA SER A 16 250.089 248.061 225.762 1.00 0.00 C +ATOM 17 CA ARG A 17 248.217 246.763 222.708 1.00 0.00 C +ATOM 18 CA LYS A 18 245.779 248.733 220.540 1.00 0.00 C +ATOM 19 CA VAL A 19 244.642 252.162 219.330 1.00 0.00 C +ATOM 20 CA GLU A 20 241.036 251.668 218.203 1.00 0.00 C +ATOM 21 CA GLU A 21 240.527 252.066 214.448 1.00 0.00 C +ATOM 22 CA GLY A 22 240.596 250.591 210.936 1.00 0.00 C +ATOM 23 CA SER A 23 242.648 247.386 210.743 1.00 0.00 C +ATOM 24 CA THR A 24 242.272 243.983 209.073 1.00 0.00 C +ATOM 25 CA ALA A 25 243.272 241.113 206.775 1.00 0.00 C +ATOM 26 CA GLY A 26 245.444 238.726 204.749 1.00 0.00 C +ATOM 27 CA LYS A 27 247.304 240.199 201.768 1.00 0.00 C +ATOM 28 CA PHE A 28 245.878 243.479 200.456 1.00 0.00 C +ATOM 29 CA THR A 29 248.317 246.204 199.385 1.00 0.00 C +ATOM 30 CA THR A 30 251.319 245.822 201.699 1.00 0.00 C +ATOM 31 CA VAL A 31 254.834 247.047 202.513 1.00 0.00 C +ATOM 32 CA ASN A 32 257.989 247.495 204.601 1.00 0.00 C +ATOM 33 CA GLY A 33 258.887 243.963 205.712 1.00 0.00 C +ATOM 34 CA ASN A 34 255.820 242.153 207.064 1.00 0.00 C +ATOM 35 CA LYS A 35 255.068 238.790 208.690 1.00 0.00 C +ATOM 36 CA VAL A 36 255.616 238.837 212.461 1.00 0.00 C +ATOM 37 CA ALA A 37 256.815 235.948 214.636 1.00 0.00 C +ATOM 38 CA ALA A 38 256.807 236.398 218.420 1.00 0.00 C +ATOM 39 CA SER A 39 253.739 234.531 219.693 1.00 0.00 C +ATOM 40 CA PRO A 40 250.369 233.515 221.150 1.00 0.00 C +ATOM 41 CA PRO A 41 247.139 231.653 221.936 1.00 0.00 C +ATOM 42 CA GLN A 42 247.608 227.886 221.617 1.00 0.00 C +ATOM 43 CA THR A 43 248.426 224.433 223.004 1.00 0.00 C +ATOM 44 CA THR A 44 248.689 221.318 220.827 1.00 0.00 C +ATOM 45 CA SER A 45 251.376 218.855 221.936 1.00 0.00 C +ATOM 46 CA PHE A 46 251.511 219.076 225.737 1.00 0.00 C +ATOM 47 CA ARG A 47 253.558 216.830 228.035 1.00 0.00 C +ATOM 48 CA PRO A 48 256.068 217.619 230.792 1.00 0.00 C +ATOM 49 CA ASP A 49 258.805 218.022 233.411 1.00 0.00 C +ATOM 50 CA PRO A 50 259.887 221.509 234.499 1.00 0.00 C +ATOM 51 CA SER A 51 260.414 224.790 236.363 1.00 0.00 C +ATOM 52 CA ALA A 52 258.976 228.230 237.149 1.00 0.00 C +ATOM 53 CA LEU A 53 260.160 229.020 240.683 1.00 0.00 C +ATOM 54 CA SER A 54 260.932 229.262 244.406 1.00 0.00 C +ATOM 55 CA HIS A 55 263.400 232.037 245.256 1.00 0.00 C +ATOM 56 CA PRO A 56 267.009 233.178 245.693 1.00 0.00 C +ATOM 57 CA TYR A 57 270.659 232.924 244.632 1.00 0.00 C +ATOM 58 CA ARG A 58 272.833 230.518 246.633 1.00 0.00 C +ATOM 59 CA GLN A 59 276.410 229.800 245.534 1.00 0.00 C +ATOM 60 CA GLN A 60 280.109 229.971 246.428 1.00 0.00 C +ATOM 61 CA GLN A 61 281.467 226.546 247.399 1.00 0.00 C +ATOM 62 CA GLN A 62 282.154 226.498 251.146 1.00 0.00 C +ATOM 63 CA ALA A 63 281.680 229.393 253.576 1.00 0.00 C +ATOM 64 CA LEU A 64 280.089 232.761 252.775 1.00 0.00 C +ATOM 65 CA PRO A 65 281.990 235.410 250.804 1.00 0.00 C +ATOM 66 CA ARG A 66 281.864 239.075 251.837 1.00 0.00 C +ATOM 67 CA GLN A 67 284.732 241.421 252.722 1.00 0.00 C +ATOM 68 CA PRO A 68 286.938 242.678 249.881 1.00 0.00 C +ATOM 69 CA PRO A 69 286.021 241.010 246.580 1.00 0.00 C +ATOM 70 CA LEU A 70 283.614 240.506 243.671 1.00 0.00 C +ATOM 71 CA PRO A 71 280.700 238.750 241.955 1.00 0.00 C +ATOM 72 CA GLU A 72 280.144 240.363 238.548 1.00 0.00 C +ATOM 73 CA GLY A 73 277.878 243.412 238.836 1.00 0.00 C +ATOM 74 CA LYS A 74 275.539 244.246 235.947 1.00 0.00 C +ATOM 75 CA SER A 75 271.959 244.613 234.694 1.00 0.00 C +ATOM 76 CA LYS A 76 269.309 241.884 234.488 1.00 0.00 C +ATOM 77 CA PRO A 77 265.650 242.622 233.723 1.00 0.00 C +ATOM 78 CA LEU A 78 264.603 246.274 234.008 1.00 0.00 C +ATOM 79 CA PHE A 79 261.598 248.609 234.177 1.00 0.00 C +ATOM 80 CA VAL A 80 258.109 247.675 235.390 1.00 0.00 C +ATOM 81 CA ASP A 81 255.873 250.392 233.928 1.00 0.00 C +ATOM 82 CA LEU A 82 252.071 250.254 233.730 1.00 0.00 C +ATOM 83 CA ASP A 83 250.626 252.976 235.969 1.00 0.00 C +ATOM 84 CA GLU A 84 251.290 253.368 239.700 1.00 0.00 C +ATOM 85 CA THR A 85 252.382 254.550 243.154 1.00 0.00 C +ATOM 86 CA LYS A 86 254.560 256.390 245.681 1.00 0.00 C +ATOM 87 CA SER A 87 253.966 258.573 248.746 1.00 0.00 C +ATOM 88 CA THR A 88 254.274 257.640 252.427 1.00 0.00 C +ATOM 89 CA TYR A 89 252.587 255.230 254.848 1.00 0.00 C +ATOM 90 CA HIS A 90 250.904 255.189 258.266 1.00 0.00 C +ATOM 91 CA ASP A 91 248.885 257.075 260.889 1.00 0.00 C +ATOM 92 CA GLU A 92 247.051 255.334 263.739 1.00 0.00 C +ATOM 93 CA SER A 93 243.266 255.281 264.177 1.00 0.00 C +ATOM 94 CA SER A 94 240.208 255.785 266.393 1.00 0.00 C +ATOM 95 CA PHE A 95 237.486 253.474 267.722 1.00 0.00 C +ATOM 96 CA ARG A 96 235.607 254.274 270.938 1.00 0.00 C +ATOM 97 CA SER A 97 234.460 257.111 273.208 1.00 0.00 C +ATOM 98 CA PRO A 98 236.954 259.943 273.731 1.00 0.00 C +ATOM 99 CA GLU A 99 237.645 262.930 275.992 1.00 0.00 C +ATOM 100 CA ASN A 100 235.586 266.058 276.695 1.00 0.00 C +ATOM 101 CA HIS A 101 236.477 268.492 279.488 1.00 0.00 C +ATOM 102 CA SER A 102 233.769 270.066 281.657 1.00 0.00 C +ATOM 103 CA ASN A 103 230.714 270.865 283.789 1.00 0.00 C +ATOM 104 CA ARG A 104 232.103 272.291 287.037 1.00 0.00 C +ATOM 105 CA ILE A 105 231.329 271.444 290.670 1.00 0.00 C +ATOM 106 CA GLY A 106 232.128 273.423 293.826 1.00 0.00 C +ATOM 107 CA LYS A 107 234.360 273.650 296.906 1.00 0.00 C +ATOM 108 CA ARG A 108 236.866 275.051 299.410 1.00 0.00 C +ATOM 109 CA LYS A 109 239.654 276.068 301.800 1.00 0.00 C +ATOM 110 CA ARG A 110 242.776 278.216 301.405 1.00 0.00 C +ATOM 111 CA SER A 111 243.789 279.906 298.144 1.00 0.00 C +ATOM 112 CA THR A 112 241.954 282.414 295.940 1.00 0.00 C +ATOM 113 CA GLU A 113 243.356 282.271 292.400 1.00 0.00 C +ATOM 114 CA THR A 114 240.564 282.858 289.874 1.00 0.00 C +ATOM 115 CA PHE A 115 239.977 279.534 288.107 1.00 0.00 C +ATOM 116 CA GLU A 116 237.529 276.626 288.355 1.00 0.00 C +ATOM 117 CA VAL A 117 237.821 273.033 289.590 1.00 0.00 C +ATOM 118 CA SER A 118 241.440 272.226 290.466 1.00 0.00 C +ATOM 119 CA PRO A 119 244.306 270.162 289.035 1.00 0.00 C +ATOM 120 CA GLU A 120 243.184 267.467 286.586 1.00 0.00 C +ATOM 121 CA PHE A 121 242.002 264.230 284.962 1.00 0.00 C +ATOM 122 CA THR A 122 240.937 261.417 287.300 1.00 0.00 C +ATOM 123 CA SER A 123 241.702 258.493 289.620 1.00 0.00 C +ATOM 124 CA PRO A 124 238.807 257.263 291.771 1.00 0.00 C +ATOM 125 CA PRO A 125 239.329 253.704 293.026 1.00 0.00 C +ATOM 126 CA THR A 126 237.668 251.211 290.673 1.00 0.00 C +ATOM 127 CA ARG A 127 235.717 250.649 287.449 1.00 0.00 C +ATOM 128 CA ARG A 128 233.472 250.476 284.375 1.00 0.00 C +ATOM 129 CA GLU A 129 229.779 250.375 283.443 1.00 0.00 C +ATOM 130 CA GLU A 130 226.671 249.707 285.544 1.00 0.00 C +ATOM 131 CA THR A 131 227.887 248.902 289.063 1.00 0.00 C +ATOM 132 CA LEU A 132 227.372 251.936 291.310 1.00 0.00 C +ATOM 133 CA ASN A 133 230.552 254.026 291.498 1.00 0.00 C +ATOM 134 CA VAL A 134 231.404 257.398 289.944 1.00 0.00 C +ATOM 135 CA PRO A 135 232.196 259.067 286.612 1.00 0.00 C +ATOM 136 CA ALA A 136 229.531 259.640 283.950 1.00 0.00 C +ATOM 137 CA GLU A 137 226.956 257.869 281.771 1.00 0.00 C +ATOM 138 CA LEU A 138 227.062 259.249 278.221 1.00 0.00 C +ATOM 139 CA ARG A 139 226.526 261.334 275.078 1.00 0.00 C +ATOM 140 CA SER A 140 223.392 262.649 273.356 1.00 0.00 C +ATOM 141 CA PRO A 141 220.452 261.348 271.312 1.00 0.00 C +ATOM 142 CA THR A 142 221.102 257.786 270.125 1.00 0.00 C +ATOM 143 CA ARG A 143 221.972 254.713 268.048 1.00 0.00 C +ATOM 144 CA SER A 144 225.342 253.090 267.324 1.00 0.00 C +ATOM 145 CA LEU A 145 228.880 254.012 268.398 1.00 0.00 C +ATOM 146 CA PRO A 146 230.226 256.334 265.694 1.00 0.00 C +ATOM 147 CA PRO A 147 231.718 254.661 262.613 1.00 0.00 C +ATOM 148 CA LEU A 148 234.849 255.615 260.663 1.00 0.00 C +ATOM 149 CA LEU A 149 236.184 254.104 257.430 1.00 0.00 C +ATOM 150 CA GLN A 150 238.673 252.360 255.132 1.00 0.00 C +ATOM 151 CA PHE A 151 237.882 251.165 251.602 1.00 0.00 C +ATOM 152 CA GLN A 152 239.880 253.305 249.163 1.00 0.00 C +ATOM 153 CA GLU A 153 240.630 255.498 246.139 1.00 0.00 C +ATOM 154 CA SER A 154 239.652 259.160 245.752 1.00 0.00 C +ATOM 155 CA GLU A 155 240.816 260.665 242.451 1.00 0.00 C +TER 156 GLU A 155 +END diff --git a/Fungi/A0A9P8J8A0/A0A9P8J8A0.dcd b/Fungi/A0A9P8J8A0/A0A9P8J8A0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c606eadc7e4069c0a0aae85018a8098911cbce26 --- /dev/null +++ b/Fungi/A0A9P8J8A0/A0A9P8J8A0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5ec800147603f70df39747eb7dfab44e1ef060d0bac1c9d4fe24faef6d779143 +size 18920276 diff --git a/Fungi/A0A9P8J8A0/top.pdb b/Fungi/A0A9P8J8A0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0f5d0136d8ec1d1ace1fd266cab65ae3ac5da388 --- /dev/null +++ b/Fungi/A0A9P8J8A0/top.pdb @@ -0,0 +1,155 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 241.281 298.629 215.225 1.00 0.00 C +ATOM 2 CA SER A 2 240.890 301.977 217.001 1.00 0.00 C +ATOM 3 CA SER A 3 243.085 304.507 215.184 1.00 0.00 C +ATOM 4 CA ASN A 4 245.428 307.413 215.944 1.00 0.00 C +ATOM 5 CA GLN A 5 244.946 311.192 216.023 1.00 0.00 C +ATOM 6 CA SER A 6 242.418 313.607 217.536 1.00 0.00 C +ATOM 7 CA ASN A 7 239.082 312.546 216.031 1.00 0.00 C +ATOM 8 CA VAL A 8 237.373 309.368 217.254 1.00 0.00 C +ATOM 9 CA ALA A 9 236.304 308.219 220.726 1.00 0.00 C +ATOM 10 CA SER A 10 236.647 305.769 223.624 1.00 0.00 C +ATOM 11 CA ASN A 11 234.324 306.169 226.618 1.00 0.00 C +ATOM 12 CA THR A 12 231.739 306.399 229.407 1.00 0.00 C +ATOM 13 CA HIS A 13 231.112 302.819 230.549 1.00 0.00 C +ATOM 14 CA GLY A 14 231.020 299.647 228.440 1.00 0.00 C +ATOM 15 CA SER A 15 234.410 297.912 228.312 1.00 0.00 C +ATOM 16 CA LEU A 16 237.491 296.925 226.299 1.00 0.00 C +ATOM 17 CA THR A 17 240.139 296.330 223.625 1.00 0.00 C +ATOM 18 CA LEU A 18 242.882 293.842 224.523 1.00 0.00 C +ATOM 19 CA THR A 19 242.254 290.250 225.626 1.00 0.00 C +ATOM 20 CA ALA A 20 239.900 287.469 226.740 1.00 0.00 C +ATOM 21 CA SER A 21 236.681 288.163 228.656 1.00 0.00 C +ATOM 22 CA GLN A 22 234.082 289.657 231.007 1.00 0.00 C +ATOM 23 CA ALA A 23 234.900 289.722 234.728 1.00 0.00 C +ATOM 24 CA GLY A 24 235.208 287.494 237.803 1.00 0.00 C +ATOM 25 CA PRO A 25 233.984 283.900 238.120 1.00 0.00 C +ATOM 26 CA THR A 26 236.541 281.838 240.051 1.00 0.00 C +ATOM 27 CA THR A 27 237.379 281.236 243.718 1.00 0.00 C +ATOM 28 CA LEU A 28 238.717 282.733 246.956 1.00 0.00 C +ATOM 29 CA ARG A 29 241.762 283.000 249.231 1.00 0.00 C +ATOM 30 CA LEU A 30 244.562 281.436 251.287 1.00 0.00 C +ATOM 31 CA ARG A 31 247.071 280.000 248.805 1.00 0.00 C +ATOM 32 CA ALA A 32 249.505 277.833 250.779 1.00 0.00 C +ATOM 33 CA GLU A 33 250.925 274.585 252.175 1.00 0.00 C +ATOM 34 CA ALA A 34 251.539 271.020 250.979 1.00 0.00 C +ATOM 35 CA GLU A 35 251.703 267.214 251.060 1.00 0.00 C +ATOM 36 CA PRO A 36 253.204 264.211 252.861 1.00 0.00 C +ATOM 37 CA SER A 37 253.132 261.038 250.753 1.00 0.00 C +ATOM 38 CA GLU A 38 252.552 257.282 250.494 1.00 0.00 C +ATOM 39 CA ARG A 39 253.823 255.740 247.250 1.00 0.00 C +ATOM 40 CA ARG A 40 256.137 254.099 244.707 1.00 0.00 C +ATOM 41 CA ARG A 41 255.902 250.343 244.111 1.00 0.00 C +ATOM 42 CA ILE A 42 254.847 249.543 240.539 1.00 0.00 C +ATOM 43 CA GLN A 43 251.045 249.613 240.292 1.00 0.00 C +ATOM 44 CA TRP A 44 249.749 248.110 243.544 1.00 0.00 C +ATOM 45 CA ALA A 45 246.116 247.079 243.037 1.00 0.00 C +ATOM 46 CA GLU A 46 243.121 247.906 245.242 1.00 0.00 C +ATOM 47 CA ASP A 47 240.345 250.161 246.556 1.00 0.00 C +ATOM 48 CA VAL A 48 237.459 252.211 245.148 1.00 0.00 C +ATOM 49 CA ILE A 49 237.841 255.883 244.208 1.00 0.00 C +ATOM 50 CA ASP A 50 239.118 257.556 247.384 1.00 0.00 C +ATOM 51 CA ASN A 51 242.702 256.308 247.714 1.00 0.00 C +ATOM 52 CA GLU A 52 246.271 256.058 246.402 1.00 0.00 C +ATOM 53 CA GLY A 53 248.314 252.894 246.976 1.00 0.00 C +ATOM 54 CA MET A 54 249.170 250.603 249.898 1.00 0.00 C +ATOM 55 CA GLY A 55 251.011 250.486 253.231 1.00 0.00 C +ATOM 56 CA LYS A 56 249.645 247.825 255.591 1.00 0.00 C +ATOM 57 CA LYS A 57 247.224 248.217 258.507 1.00 0.00 C +ATOM 58 CA SER A 58 247.625 249.862 261.920 1.00 0.00 C +ATOM 59 CA SER A 59 246.684 247.450 264.715 1.00 0.00 C +ATOM 60 CA LYS A 60 246.833 248.406 268.400 1.00 0.00 C +ATOM 61 CA VAL A 61 246.786 252.210 268.614 1.00 0.00 C +ATOM 62 CA CYS A 62 248.813 255.409 268.199 1.00 0.00 C +ATOM 63 CA CYS A 63 252.426 254.261 267.819 1.00 0.00 C +ATOM 64 CA ILE A 64 256.076 253.330 268.390 1.00 0.00 C +ATOM 65 CA TYR A 65 258.353 252.060 265.612 1.00 0.00 C +ATOM 66 CA HIS A 66 256.869 252.537 262.136 1.00 0.00 C +ATOM 67 CA LYS A 67 256.382 255.246 259.501 1.00 0.00 C +ATOM 68 CA PRO A 68 252.684 256.072 259.098 1.00 0.00 C +ATOM 69 CA ARG A 69 251.533 259.435 260.469 1.00 0.00 C +ATOM 70 CA GLU A 70 249.458 262.557 261.151 1.00 0.00 C +ATOM 71 CA ALA A 71 249.215 265.704 259.017 1.00 0.00 C +ATOM 72 CA GLY A 72 246.977 268.705 259.726 1.00 0.00 C +ATOM 73 CA GLU A 73 245.968 271.949 261.452 1.00 0.00 C +ATOM 74 CA SER A 74 247.842 275.251 261.138 1.00 0.00 C +ATOM 75 CA SER A 75 251.010 276.432 259.381 1.00 0.00 C +ATOM 76 CA ASP A 76 253.608 273.646 259.414 1.00 0.00 C +ATOM 77 CA GLU A 77 254.912 271.394 256.630 1.00 0.00 C +ATOM 78 CA ASP A 78 258.304 269.691 256.301 1.00 0.00 C +ATOM 79 CA SER A 79 261.764 268.116 256.559 1.00 0.00 C +ATOM 80 CA SER A 80 264.270 265.680 258.077 1.00 0.00 C +ATOM 81 CA SER A 81 266.756 262.795 258.157 1.00 0.00 C +ATOM 82 CA SER A 82 267.185 259.014 257.954 1.00 0.00 C +ATOM 83 CA SER A 83 268.285 255.440 257.225 1.00 0.00 C +ATOM 84 CA SER A 84 271.461 253.964 258.726 1.00 0.00 C +ATOM 85 CA ASP A 85 274.637 255.747 259.843 1.00 0.00 C +ATOM 86 CA SER A 86 277.232 257.513 257.683 1.00 0.00 C +ATOM 87 CA ASP A 87 277.885 261.044 258.956 1.00 0.00 C +ATOM 88 CA SER A 88 281.041 262.907 259.997 1.00 0.00 C +ATOM 89 CA GLU A 89 283.419 265.870 260.279 1.00 0.00 C +ATOM 90 CA PRO A 90 286.904 264.344 260.478 1.00 0.00 C +ATOM 91 CA ASP A 91 287.599 262.680 263.834 1.00 0.00 C +ATOM 92 CA THR A 92 284.619 261.692 265.994 1.00 0.00 C +ATOM 93 CA SER A 93 280.979 261.070 266.929 1.00 0.00 C +ATOM 94 CA ARG A 94 278.945 258.348 268.652 1.00 0.00 C +ATOM 95 CA ALA A 95 278.923 256.863 272.161 1.00 0.00 C +ATOM 96 CA GLN A 96 277.536 253.627 273.616 1.00 0.00 C +ATOM 97 CA PRO A 97 275.881 250.725 271.783 1.00 0.00 C +ATOM 98 CA ALA A 98 272.731 248.585 271.654 1.00 0.00 C +ATOM 99 CA ASN A 99 270.631 246.658 269.126 1.00 0.00 C +ATOM 100 CA ARG A 100 267.375 245.292 267.693 1.00 0.00 C +ATOM 101 CA ARG A 101 264.110 244.040 266.182 1.00 0.00 C +ATOM 102 CA ARG A 102 262.042 245.220 263.208 1.00 0.00 C +ATOM 103 CA ASN A 103 261.789 244.698 259.442 1.00 0.00 C +ATOM 104 CA HIS A 104 258.287 244.649 257.942 1.00 0.00 C +ATOM 105 CA HIS A 105 256.495 241.465 259.023 1.00 0.00 C +ATOM 106 CA HIS A 106 255.737 237.774 258.460 1.00 0.00 C +ATOM 107 CA PRO A 107 252.330 236.302 259.321 1.00 0.00 C +ATOM 108 CA ASP A 108 249.182 236.185 261.464 1.00 0.00 C +ATOM 109 CA GLY A 109 247.219 233.062 262.420 1.00 0.00 C +ATOM 110 CA PRO A 110 244.570 230.732 263.860 1.00 0.00 C +ATOM 111 CA CYS A 111 244.040 227.391 262.106 1.00 0.00 C +ATOM 112 CA ASP A 112 245.083 224.470 264.318 1.00 0.00 C +ATOM 113 CA HIS A 113 245.202 221.454 266.644 1.00 0.00 C +ATOM 114 CA ASP A 114 248.063 219.280 267.910 1.00 0.00 C +ATOM 115 CA HIS A 115 250.463 216.340 267.570 1.00 0.00 C +ATOM 116 CA ALA A 116 250.219 212.558 267.180 1.00 0.00 C +ATOM 117 CA ASP A 117 246.991 210.907 268.349 1.00 0.00 C +ATOM 118 CA PRO A 118 244.119 208.588 269.294 1.00 0.00 C +ATOM 119 CA SER A 119 240.398 209.347 269.605 1.00 0.00 C +ATOM 120 CA HIS A 120 238.874 210.484 272.907 1.00 0.00 C +ATOM 121 CA SER A 121 236.250 208.979 275.223 1.00 0.00 C +ATOM 122 CA HIS A 122 232.942 208.163 273.518 1.00 0.00 C +ATOM 123 CA GLY A 123 231.510 205.363 271.367 1.00 0.00 C +ATOM 124 CA SER A 124 229.524 206.775 268.439 1.00 0.00 C +ATOM 125 CA GLY A 125 231.375 206.173 265.164 1.00 0.00 C +ATOM 126 CA LYS A 126 233.216 202.898 264.533 1.00 0.00 C +ATOM 127 CA GLY A 127 236.050 202.880 261.986 1.00 0.00 C +ATOM 128 CA LYS A 128 239.102 201.814 259.968 1.00 0.00 C +ATOM 129 CA GLN A 129 241.811 203.411 257.818 1.00 0.00 C +ATOM 130 CA LYS A 130 243.969 200.689 256.254 1.00 0.00 C +ATOM 131 CA ALA A 131 246.062 200.662 253.071 1.00 0.00 C +ATOM 132 CA ARG A 132 244.736 197.975 250.718 1.00 0.00 C +ATOM 133 CA ARG A 133 245.371 197.543 246.986 1.00 0.00 C +ATOM 134 CA PRO A 134 249.049 197.947 246.078 1.00 0.00 C +ATOM 135 CA SER A 135 252.116 196.388 244.440 1.00 0.00 C +ATOM 136 CA PRO A 136 254.747 197.778 242.060 1.00 0.00 C +ATOM 137 CA ASN A 137 256.761 196.496 239.091 1.00 0.00 C +ATOM 138 CA ALA A 138 254.252 194.611 236.931 1.00 0.00 C +ATOM 139 CA TYR A 139 250.949 193.035 237.993 1.00 0.00 C +ATOM 140 CA GLU A 140 248.366 195.054 239.934 1.00 0.00 C +ATOM 141 CA ARG A 141 244.732 194.064 239.365 1.00 0.00 C +ATOM 142 CA VAL A 142 244.239 191.914 236.258 1.00 0.00 C +ATOM 143 CA PRO A 143 243.754 193.366 232.769 1.00 0.00 C +ATOM 144 CA ARG A 144 244.851 196.876 231.774 1.00 0.00 C +ATOM 145 CA LYS A 145 247.353 197.517 228.973 1.00 0.00 C +ATOM 146 CA LYS A 146 247.941 197.432 225.209 1.00 0.00 C +ATOM 147 CA THR A 147 249.112 200.960 224.374 1.00 0.00 C +ATOM 148 CA PRO A 148 247.556 203.944 226.160 1.00 0.00 C +ATOM 149 CA LYS A 149 244.858 206.022 227.867 1.00 0.00 C +ATOM 150 CA LYS A 150 241.459 207.155 226.571 1.00 0.00 C +ATOM 151 CA ASP A 151 240.351 207.600 222.953 1.00 0.00 C +TER 152 ASP A 151 +END diff --git a/Fungi/A0A9P8M7E0/A0A9P8M7E0.dcd b/Fungi/A0A9P8M7E0/A0A9P8M7E0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..87b930b1d47d77a19cdc32a1b92529786a030313 --- /dev/null +++ b/Fungi/A0A9P8M7E0/A0A9P8M7E0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1400a2358a21c2e72a0faa6bb49a4055a2b30d9576848795822568ecd3f3a2e6 +size 18320276 diff --git a/Fungi/A0A9P8M7E0/top.pdb b/Fungi/A0A9P8M7E0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..16f76831265e507550464ba8a793c87f03d2ad7d --- /dev/null +++ b/Fungi/A0A9P8M7E0/top.pdb @@ -0,0 +1,150 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 288.297 294.728 298.273 1.00 0.00 C +ATOM 2 CA THR A 2 287.076 298.160 297.154 1.00 0.00 C +ATOM 3 CA ASP A 3 284.486 297.872 294.375 1.00 0.00 C +ATOM 4 CA ARG A 4 284.439 297.009 290.664 1.00 0.00 C +ATOM 5 CA GLN A 5 287.778 296.366 288.946 1.00 0.00 C +ATOM 6 CA ARG A 6 291.586 296.408 289.064 1.00 0.00 C +ATOM 7 CA GLN A 7 293.685 293.276 288.517 1.00 0.00 C +ATOM 8 CA ARG A 8 294.240 289.563 287.865 1.00 0.00 C +ATOM 9 CA ALA A 9 292.077 287.243 289.975 1.00 0.00 C +ATOM 10 CA ALA A 10 292.005 286.095 293.607 1.00 0.00 C +ATOM 11 CA PRO A 11 288.609 286.296 295.322 1.00 0.00 C +ATOM 12 CA ALA A 12 285.049 286.702 294.026 1.00 0.00 C +ATOM 13 CA PRO A 13 283.021 285.417 291.068 1.00 0.00 C +ATOM 14 CA SER A 14 284.953 284.277 287.989 1.00 0.00 C +ATOM 15 CA THR A 15 285.763 287.495 286.118 1.00 0.00 C +ATOM 16 CA SER A 16 285.522 289.476 282.872 1.00 0.00 C +ATOM 17 CA GLN A 17 286.545 289.364 279.204 1.00 0.00 C +ATOM 18 CA THR A 18 286.212 290.230 275.509 1.00 0.00 C +ATOM 19 CA GLN A 19 289.168 290.159 273.106 1.00 0.00 C +ATOM 20 CA THR A 20 291.823 289.096 270.588 1.00 0.00 C +ATOM 21 CA GLN A 21 292.699 288.362 266.953 1.00 0.00 C +ATOM 22 CA THR A 22 291.936 284.882 265.602 1.00 0.00 C +ATOM 23 CA GLY A 23 290.044 281.913 267.059 1.00 0.00 C +ATOM 24 CA THR A 24 291.289 280.830 270.493 1.00 0.00 C +ATOM 25 CA GLN A 25 290.070 281.711 273.994 1.00 0.00 C +ATOM 26 CA THR A 26 288.885 278.953 276.341 1.00 0.00 C +ATOM 27 CA GLU A 27 285.892 276.776 275.438 1.00 0.00 C +ATOM 28 CA THR A 28 283.162 274.382 274.284 1.00 0.00 C +ATOM 29 CA GLN A 29 282.142 272.466 271.153 1.00 0.00 C +ATOM 30 CA ARG A 30 279.285 270.063 271.915 1.00 0.00 C +ATOM 31 CA ILE A 31 276.307 271.063 274.071 1.00 0.00 C +ATOM 32 CA LEU A 32 273.959 272.429 276.743 1.00 0.00 C +ATOM 33 CA ARG A 33 270.179 272.373 277.217 1.00 0.00 C +ATOM 34 CA LEU A 34 267.715 269.756 275.952 1.00 0.00 C +ATOM 35 CA ARG A 35 264.849 271.694 274.357 1.00 0.00 C +ATOM 36 CA GLY A 36 262.644 271.586 271.252 1.00 0.00 C +ATOM 37 CA GLY A 37 262.838 268.640 268.844 1.00 0.00 C +ATOM 38 CA HIS A 38 259.920 266.384 269.801 1.00 0.00 C +ATOM 39 CA ASN A 39 256.696 264.376 269.503 1.00 0.00 C +ATOM 40 CA ALA A 40 253.969 262.371 271.251 1.00 0.00 C +ATOM 41 CA THR A 41 250.465 261.462 272.441 1.00 0.00 C +ATOM 42 CA GLY A 42 250.119 258.667 275.007 1.00 0.00 C +ATOM 43 CA ARG A 43 249.017 256.208 277.700 1.00 0.00 C +ATOM 44 CA SER A 44 251.206 253.251 278.692 1.00 0.00 C +ATOM 45 CA VAL A 45 249.238 250.676 280.696 1.00 0.00 C +ATOM 46 CA GLN A 46 247.518 248.568 283.362 1.00 0.00 C +ATOM 47 CA TRP A 47 246.991 250.478 286.616 1.00 0.00 C +ATOM 48 CA ALA A 48 247.995 254.068 285.829 1.00 0.00 C +ATOM 49 CA GLU A 49 246.152 257.119 287.175 1.00 0.00 C +ATOM 50 CA ASP A 50 244.068 258.453 284.278 1.00 0.00 C +ATOM 51 CA VAL A 51 240.708 259.046 282.583 1.00 0.00 C +ATOM 52 CA VAL A 52 238.247 256.885 284.531 1.00 0.00 C +ATOM 53 CA ASP A 53 237.735 253.632 282.615 1.00 0.00 C +ATOM 54 CA ASN A 54 235.786 254.207 279.393 1.00 0.00 C +ATOM 55 CA GLU A 55 233.946 252.496 276.528 1.00 0.00 C +ATOM 56 CA GLY A 56 234.386 251.504 272.876 1.00 0.00 C +ATOM 57 CA LEU A 57 237.318 253.510 271.501 1.00 0.00 C +ATOM 58 CA GLY A 58 236.525 256.135 268.856 1.00 0.00 C +ATOM 59 CA ARG A 59 234.849 256.815 265.502 1.00 0.00 C +ATOM 60 CA LYS A 60 231.040 256.845 265.450 1.00 0.00 C +ATOM 61 CA SER A 61 227.974 257.732 267.531 1.00 0.00 C +ATOM 62 CA SER A 62 225.032 255.340 267.911 1.00 0.00 C +ATOM 63 CA LYS A 63 222.779 252.646 266.434 1.00 0.00 C +ATOM 64 CA VAL A 64 224.381 249.195 266.638 1.00 0.00 C +ATOM 65 CA CYS A 65 221.889 246.321 266.424 1.00 0.00 C +ATOM 66 CA CYS A 66 223.414 242.936 265.568 1.00 0.00 C +ATOM 67 CA ILE A 67 225.327 239.911 266.874 1.00 0.00 C +ATOM 68 CA TYR A 68 228.968 240.272 265.811 1.00 0.00 C +ATOM 69 CA HIS A 69 231.925 239.858 263.446 1.00 0.00 C +ATOM 70 CA LYS A 70 232.023 241.196 259.880 1.00 0.00 C +ATOM 71 CA PRO A 71 232.347 241.972 256.164 1.00 0.00 C +ATOM 72 CA LYS A 72 232.329 240.091 252.850 1.00 0.00 C +ATOM 73 CA GLY A 73 228.848 240.377 251.329 1.00 0.00 C +ATOM 74 CA VAL A 74 225.964 238.163 252.471 1.00 0.00 C +ATOM 75 CA ASP A 75 222.987 236.223 253.844 1.00 0.00 C +ATOM 76 CA GLU A 76 221.093 235.075 250.744 1.00 0.00 C +ATOM 77 CA SER A 77 222.597 235.238 247.247 1.00 0.00 C +ATOM 78 CA SER A 78 223.836 237.789 244.703 1.00 0.00 C +ATOM 79 CA ASP A 79 225.398 235.963 241.746 1.00 0.00 C +ATOM 80 CA GLU A 80 227.519 233.179 243.254 1.00 0.00 C +ATOM 81 CA SER A 81 228.158 231.202 246.447 1.00 0.00 C +ATOM 82 CA SER A 82 227.685 232.339 250.053 1.00 0.00 C +ATOM 83 CA SER A 83 230.870 234.148 251.101 1.00 0.00 C +ATOM 84 CA SER A 84 234.662 233.811 251.262 1.00 0.00 C +ATOM 85 CA SER A 85 238.371 233.824 250.392 1.00 0.00 C +ATOM 86 CA SER A 86 239.257 234.320 246.719 1.00 0.00 C +ATOM 87 CA ASP A 87 237.079 232.094 244.524 1.00 0.00 C +ATOM 88 CA SER A 88 233.818 231.973 242.556 1.00 0.00 C +ATOM 89 CA ASP A 89 233.961 235.074 240.348 1.00 0.00 C +ATOM 90 CA THR A 90 234.807 235.885 236.722 1.00 0.00 C +ATOM 91 CA ASP A 91 237.579 234.442 234.544 1.00 0.00 C +ATOM 92 CA SER A 92 241.033 235.947 235.106 1.00 0.00 C +ATOM 93 CA GLU A 93 244.106 233.704 234.908 1.00 0.00 C +ATOM 94 CA PRO A 94 247.647 233.215 236.226 1.00 0.00 C +ATOM 95 CA GLU A 95 249.074 229.762 236.972 1.00 0.00 C +ATOM 96 CA ARG A 96 250.861 227.475 234.504 1.00 0.00 C +ATOM 97 CA GLY A 97 251.414 223.929 233.226 1.00 0.00 C +ATOM 98 CA ARG A 98 250.751 223.055 229.577 1.00 0.00 C +ATOM 99 CA GLY A 99 252.158 219.561 229.003 1.00 0.00 C +ATOM 100 CA ASP A 100 250.476 216.201 229.630 1.00 0.00 C +ATOM 101 CA GLY A 101 247.147 215.692 227.848 1.00 0.00 C +ATOM 102 CA LYS A 102 246.824 213.468 224.771 1.00 0.00 C +ATOM 103 CA LYS A 103 243.163 213.749 223.754 1.00 0.00 C +ATOM 104 CA ALA A 104 240.894 212.115 221.165 1.00 0.00 C +ATOM 105 CA PRO A 105 239.404 211.058 217.822 1.00 0.00 C +ATOM 106 CA ALA A 106 236.128 212.603 216.642 1.00 0.00 C +ATOM 107 CA CYS A 107 233.645 212.634 219.532 1.00 0.00 C +ATOM 108 CA GLY A 108 230.873 213.671 221.931 1.00 0.00 C +ATOM 109 CA GLY A 109 229.148 217.067 222.009 1.00 0.00 C +ATOM 110 CA HIS A 110 227.321 218.554 225.004 1.00 0.00 C +ATOM 111 CA SER A 111 224.300 220.338 223.518 1.00 0.00 C +ATOM 112 CA HIS A 112 221.619 222.555 225.073 1.00 0.00 C +ATOM 113 CA GLY A 113 221.031 226.298 224.674 1.00 0.00 C +ATOM 114 CA ARG A 114 222.261 228.386 221.734 1.00 0.00 C +ATOM 115 CA ALA A 115 224.882 231.149 221.622 1.00 0.00 C +ATOM 116 CA ARG A 116 227.562 232.595 223.912 1.00 0.00 C +ATOM 117 CA ARG A 117 230.294 231.849 226.460 1.00 0.00 C +ATOM 118 CA PRO A 118 233.589 231.304 224.626 1.00 0.00 C +ATOM 119 CA LYS A 119 237.191 232.536 224.482 1.00 0.00 C +ATOM 120 CA ASP A 120 240.839 232.763 223.405 1.00 0.00 C +ATOM 121 CA GLY A 121 244.624 232.759 222.971 1.00 0.00 C +ATOM 122 CA ARG A 122 247.902 233.041 221.049 1.00 0.00 C +ATOM 123 CA ARG A 123 250.324 231.682 218.441 1.00 0.00 C +ATOM 124 CA GLN A 124 251.426 230.238 215.092 1.00 0.00 C +ATOM 125 CA LYS A 125 253.824 232.752 213.527 1.00 0.00 C +ATOM 126 CA ARG A 126 254.391 236.496 213.108 1.00 0.00 C +ATOM 127 CA PRO A 127 255.924 239.752 214.359 1.00 0.00 C +ATOM 128 CA PRO A 128 254.804 242.422 216.835 1.00 0.00 C +ATOM 129 CA SER A 129 253.267 245.748 215.791 1.00 0.00 C +ATOM 130 CA PRO A 130 250.991 245.179 212.788 1.00 0.00 C +ATOM 131 CA ASN A 131 249.441 246.652 209.635 1.00 0.00 C +ATOM 132 CA ALA A 132 247.803 246.555 206.196 1.00 0.00 C +ATOM 133 CA TYR A 133 245.431 245.126 203.579 1.00 0.00 C +ATOM 134 CA GLU A 134 245.363 244.171 199.891 1.00 0.00 C +ATOM 135 CA LYS A 135 243.999 241.130 198.045 1.00 0.00 C +ATOM 136 CA VAL A 136 243.476 237.356 198.067 1.00 0.00 C +ATOM 137 CA PRO A 137 245.605 235.544 200.655 1.00 0.00 C +ATOM 138 CA LYS A 138 243.305 233.717 203.083 1.00 0.00 C +ATOM 139 CA GLN A 139 239.986 233.417 201.237 1.00 0.00 C +ATOM 140 CA LYS A 140 237.367 232.806 198.538 1.00 0.00 C +ATOM 141 CA PRO A 141 235.949 236.264 197.802 1.00 0.00 C +ATOM 142 CA LYS A 142 233.939 239.200 196.438 1.00 0.00 C +ATOM 143 CA GLU A 143 234.082 241.780 193.638 1.00 0.00 C +ATOM 144 CA GLU A 144 235.416 243.004 190.286 1.00 0.00 C +ATOM 145 CA SER A 145 235.508 246.748 189.586 1.00 0.00 C +ATOM 146 CA LYS A 146 237.218 248.373 186.594 1.00 0.00 C +TER 147 LYS A 146 +END diff --git a/Fungi/A0A9P8QDE4/A0A9P8QDE4.dcd b/Fungi/A0A9P8QDE4/A0A9P8QDE4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..408a1202d7a28855b93b8f0ad82f83f9ec163aca --- /dev/null +++ b/Fungi/A0A9P8QDE4/A0A9P8QDE4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:839bca75a45556477c04067517b1a5081ad795ec6130214fc9fcc4ec871e7261 +size 9800276 diff --git a/Fungi/A0A9P8QDE4/top.pdb b/Fungi/A0A9P8QDE4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0000de09423072a32bf0227d365dede5cc57a53d --- /dev/null +++ b/Fungi/A0A9P8QDE4/top.pdb @@ -0,0 +1,79 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLY A 1 214.352 236.935 212.837 1.00 0.00 C +ATOM 2 CA LEU A 2 214.647 238.987 216.034 1.00 0.00 C +ATOM 3 CA LEU A 3 217.319 241.530 216.986 1.00 0.00 C +ATOM 4 CA THR A 4 216.897 245.214 216.110 1.00 0.00 C +ATOM 5 CA PRO A 5 214.911 248.390 216.806 1.00 0.00 C +ATOM 6 CA GLU A 6 217.127 251.332 217.780 1.00 0.00 C +ATOM 7 CA LEU A 7 217.911 254.787 219.181 1.00 0.00 C +ATOM 8 CA SER A 8 221.389 256.284 219.603 1.00 0.00 C +ATOM 9 CA ASP A 9 224.242 257.971 221.481 1.00 0.00 C +ATOM 10 CA ALA A 10 227.291 255.981 222.603 1.00 0.00 C +ATOM 11 CA GLN A 11 229.362 253.215 224.208 1.00 0.00 C +ATOM 12 CA PRO A 12 233.105 253.564 224.825 1.00 0.00 C +ATOM 13 CA CYS A 13 235.429 250.717 223.821 1.00 0.00 C +ATOM 14 CA THR A 14 236.220 251.403 220.158 1.00 0.00 C +ATOM 15 CA ALA A 15 236.586 248.368 217.884 1.00 0.00 C +ATOM 16 CA ARG A 16 234.608 247.192 214.847 1.00 0.00 C +ATOM 17 CA ASP A 17 236.154 244.327 212.868 1.00 0.00 C +ATOM 18 CA GLY A 18 238.080 244.975 209.644 1.00 0.00 C +ATOM 19 CA SER A 19 238.888 248.402 208.190 1.00 0.00 C +ATOM 20 CA GLY A 20 242.221 249.586 209.606 1.00 0.00 C +ATOM 21 CA GLY A 21 241.885 249.160 213.377 1.00 0.00 C +ATOM 22 CA TYR A 22 244.974 247.596 214.967 1.00 0.00 C +ATOM 23 CA GLY A 23 248.680 247.561 214.083 1.00 0.00 C +ATOM 24 CA ALA A 24 252.044 246.721 215.663 1.00 0.00 C +ATOM 25 CA ALA A 25 254.707 247.460 218.285 1.00 0.00 C +ATOM 26 CA SER A 26 253.712 250.269 220.659 1.00 0.00 C +ATOM 27 CA TRP A 27 254.335 253.213 222.996 1.00 0.00 C +ATOM 28 CA PRO A 28 256.800 251.858 225.567 1.00 0.00 C +ATOM 29 CA SER A 29 259.807 253.885 226.736 1.00 0.00 C +ATOM 30 CA GLY A 30 263.369 253.130 227.858 1.00 0.00 C +ATOM 31 CA ARG A 31 267.172 253.072 227.637 1.00 0.00 C +ATOM 32 CA GLN A 32 268.103 249.447 226.923 1.00 0.00 C +ATOM 33 CA THR A 33 269.688 248.108 230.118 1.00 0.00 C +ATOM 34 CA PRO A 34 269.859 245.427 232.819 1.00 0.00 C +ATOM 35 CA ALA A 35 269.782 246.606 236.441 1.00 0.00 C +ATOM 36 CA GLU A 36 268.746 246.608 240.108 1.00 0.00 C +ATOM 37 CA GLN A 37 267.983 246.046 243.798 1.00 0.00 C +ATOM 38 CA GLY A 38 269.305 243.816 246.590 1.00 0.00 C +ATOM 39 CA ARG A 39 267.375 244.228 249.849 1.00 0.00 C +ATOM 40 CA SER A 40 265.091 243.259 252.741 1.00 0.00 C +ATOM 41 CA THR A 41 262.890 242.551 255.769 1.00 0.00 C +ATOM 42 CA LEU A 42 262.028 245.767 257.621 1.00 0.00 C +ATOM 43 CA TRP A 43 262.021 247.390 261.068 1.00 0.00 C +ATOM 44 CA PRO A 44 264.260 245.889 263.761 1.00 0.00 C +ATOM 45 CA GLU A 45 266.928 244.092 265.802 1.00 0.00 C +ATOM 46 CA PHE A 46 270.570 245.206 265.900 1.00 0.00 C +ATOM 47 CA PRO A 47 271.391 245.495 269.610 1.00 0.00 C +ATOM 48 CA ARG A 48 273.808 248.342 270.366 1.00 0.00 C +ATOM 49 CA SER A 49 274.591 252.069 270.481 1.00 0.00 C +ATOM 50 CA GLY A 50 275.072 255.804 269.907 1.00 0.00 C +ATOM 51 CA ARG A 51 272.353 258.297 270.861 1.00 0.00 C +ATOM 52 CA ASN A 52 270.213 259.726 273.671 1.00 0.00 C +ATOM 53 CA ALA A 53 269.694 257.069 276.351 1.00 0.00 C +ATOM 54 CA SER A 54 267.743 254.210 277.942 1.00 0.00 C +ATOM 55 CA ALA A 55 265.339 254.309 280.896 1.00 0.00 C +ATOM 56 CA GLY A 56 262.374 252.216 282.057 1.00 0.00 C +ATOM 57 CA SER A 57 262.359 251.521 285.802 1.00 0.00 C +ATOM 58 CA PHE A 58 259.838 252.685 288.411 1.00 0.00 C +ATOM 59 CA GLY A 59 256.090 252.971 287.793 1.00 0.00 C +ATOM 60 CA GLY A 60 253.340 253.645 285.242 1.00 0.00 C +ATOM 61 CA PHE A 61 250.375 255.608 283.875 1.00 0.00 C +ATOM 62 CA GLU A 62 247.652 256.261 286.459 1.00 0.00 C +ATOM 63 CA PRO A 63 248.149 253.641 289.181 1.00 0.00 C +ATOM 64 CA ASP A 64 249.834 251.883 292.111 1.00 0.00 C +ATOM 65 CA GLY A 65 252.768 250.976 294.366 1.00 0.00 C +ATOM 66 CA SER A 66 252.068 247.402 295.485 1.00 0.00 C +ATOM 67 CA SER A 67 249.347 245.178 294.013 1.00 0.00 C +ATOM 68 CA ALA A 68 246.158 247.016 293.029 1.00 0.00 C +ATOM 69 CA GLY A 69 242.940 245.814 291.380 1.00 0.00 C +ATOM 70 CA PRO A 70 241.413 248.299 288.929 1.00 0.00 C +ATOM 71 CA PRO A 71 238.585 250.634 287.896 1.00 0.00 C +ATOM 72 CA ALA A 72 236.421 252.906 290.058 1.00 0.00 C +ATOM 73 CA ARG A 73 237.702 256.315 291.179 1.00 0.00 C +ATOM 74 CA ARG A 74 236.463 259.905 291.477 1.00 0.00 C +ATOM 75 CA THR A 75 237.073 262.282 288.563 1.00 0.00 C +TER 76 THR A 75 +END diff --git a/Fungi/A0A9P8UT79/A0A9P8UT79.dcd b/Fungi/A0A9P8UT79/A0A9P8UT79.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a49859b2819b7fb00dcf6d71bf443e43f40bef64 --- /dev/null +++ b/Fungi/A0A9P8UT79/A0A9P8UT79.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:acb2409dac81d58c2d227d558af59d3fed0d9f2a0ab6aa31f4f444e0b724bd9e +size 40620276 diff --git a/Fungi/A0A9P8UT79/top.pdb b/Fungi/A0A9P8UT79/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a0b2cffa497239f0899806b64e15244931b29ec5 --- /dev/null +++ b/Fungi/A0A9P8UT79/top.pdb @@ -0,0 +1,223 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 302.062 174.564 229.853 1.00 0.00 C +ATOM 2 CA PHE A 2 302.050 178.340 229.346 1.00 0.00 C +ATOM 3 CA GLY A 3 301.074 181.337 227.207 1.00 0.00 C +ATOM 4 CA ARG A 4 301.196 185.143 227.086 1.00 0.00 C +ATOM 5 CA ASP A 5 302.626 187.855 229.349 1.00 0.00 C +ATOM 6 CA HIS A 6 303.483 191.458 228.457 1.00 0.00 C +ATOM 7 CA HIS A 7 301.048 194.366 228.823 1.00 0.00 C +ATOM 8 CA GLN A 8 298.799 197.439 228.702 1.00 0.00 C +ATOM 9 CA GLU A 9 297.947 200.580 226.721 1.00 0.00 C +ATOM 10 CA GLU A 10 299.880 203.752 227.569 1.00 0.00 C +ATOM 11 CA PRO A 11 298.740 207.199 228.723 1.00 0.00 C +ATOM 12 CA PHE A 12 295.093 207.566 227.684 1.00 0.00 C +ATOM 13 CA TYR A 13 293.016 209.029 224.844 1.00 0.00 C +ATOM 14 CA GLN A 14 289.831 208.503 222.820 1.00 0.00 C +ATOM 15 CA GLY A 15 288.599 205.825 220.407 1.00 0.00 C +ATOM 16 CA PRO A 16 284.790 205.733 220.428 1.00 0.00 C +ATOM 17 CA GLY A 17 280.983 205.789 220.586 1.00 0.00 C +ATOM 18 CA PRO A 18 280.205 207.587 223.854 1.00 0.00 C +ATOM 19 CA GLU A 19 279.900 207.473 227.650 1.00 0.00 C +ATOM 20 CA GLN A 20 281.148 209.894 230.313 1.00 0.00 C +ATOM 21 CA PHE A 21 281.685 213.590 229.563 1.00 0.00 C +ATOM 22 CA HIS A 22 282.952 215.389 226.453 1.00 0.00 C +ATOM 23 CA GLY A 23 281.005 218.650 226.144 1.00 0.00 C +ATOM 24 CA HIS A 24 280.996 222.058 224.442 1.00 0.00 C +ATOM 25 CA TYR A 25 283.817 224.566 223.920 1.00 0.00 C +ATOM 26 CA HIS A 26 284.711 225.843 220.443 1.00 0.00 C +ATOM 27 CA TYR A 27 286.374 229.210 219.801 1.00 0.00 C +ATOM 28 CA PRO A 28 288.919 231.332 217.920 1.00 0.00 C +ATOM 29 CA GLN A 29 289.887 234.678 219.465 1.00 0.00 C +ATOM 30 CA HIS A 30 289.945 236.388 222.869 1.00 0.00 C +ATOM 31 CA HIS A 31 290.233 237.374 226.538 1.00 0.00 C +ATOM 32 CA GLY A 32 292.190 240.469 227.589 1.00 0.00 C +ATOM 33 CA SER A 33 292.590 243.846 225.870 1.00 0.00 C +ATOM 34 CA VAL A 34 292.016 247.469 226.897 1.00 0.00 C +ATOM 35 CA TYR A 35 294.109 250.649 227.060 1.00 0.00 C +ATOM 36 CA HIS A 36 295.896 250.997 223.713 1.00 0.00 C +ATOM 37 CA TYR A 37 298.156 252.209 220.895 1.00 0.00 C +ATOM 38 CA PRO A 38 297.810 253.128 217.214 1.00 0.00 C +ATOM 39 CA PRO A 39 295.698 256.299 217.162 1.00 0.00 C +ATOM 40 CA SER A 40 294.856 259.136 219.560 1.00 0.00 C +ATOM 41 CA PRO A 41 291.089 258.868 220.067 1.00 0.00 C +ATOM 42 CA PRO A 42 287.799 260.776 220.282 1.00 0.00 C +ATOM 43 CA ARG A 43 285.964 261.156 223.600 1.00 0.00 C +ATOM 44 CA HIS A 44 284.933 257.913 225.314 1.00 0.00 C +ATOM 45 CA PRO A 45 281.445 257.866 226.846 1.00 0.00 C +ATOM 46 CA SER A 46 277.971 256.420 227.447 1.00 0.00 C +ATOM 47 CA PRO A 47 274.766 258.458 227.150 1.00 0.00 C +ATOM 48 CA PRO A 48 271.335 259.781 228.150 1.00 0.00 C +ATOM 49 CA PRO A 49 270.161 259.784 231.774 1.00 0.00 C +ATOM 50 CA GLN A 50 271.039 257.231 234.463 1.00 0.00 C +ATOM 51 CA PRO A 51 271.465 258.277 238.102 1.00 0.00 C +ATOM 52 CA MET A 52 273.541 260.737 240.139 1.00 0.00 C +ATOM 53 CA ARG A 53 274.384 264.316 241.138 1.00 0.00 C +ATOM 54 CA HIS A 54 274.493 268.055 241.865 1.00 0.00 C +ATOM 55 CA ASP A 55 272.284 271.153 241.675 1.00 0.00 C +ATOM 56 CA HIS A 56 270.315 274.066 240.207 1.00 0.00 C +ATOM 57 CA HIS A 57 270.444 277.839 239.695 1.00 0.00 C +ATOM 58 CA HIS A 58 270.476 280.161 242.716 1.00 0.00 C +ATOM 59 CA HIS A 59 268.478 279.399 245.870 1.00 0.00 C +ATOM 60 CA HIS A 60 265.783 281.573 247.460 1.00 0.00 C +ATOM 61 CA HIS A 61 265.551 282.841 251.045 1.00 0.00 C +ATOM 62 CA HIS A 62 263.707 285.966 252.207 1.00 0.00 C +ATOM 63 CA ARG A 63 264.899 288.677 249.811 1.00 0.00 C +ATOM 64 CA PRO A 64 267.104 287.836 246.820 1.00 0.00 C +ATOM 65 CA ARG A 65 265.250 286.401 243.816 1.00 0.00 C +ATOM 66 CA SER A 66 262.062 284.819 242.456 1.00 0.00 C +ATOM 67 CA HIS A 67 262.388 281.023 242.499 1.00 0.00 C +ATOM 68 CA SER A 68 260.865 277.562 242.030 1.00 0.00 C +ATOM 69 CA ARG A 69 263.123 274.928 243.603 1.00 0.00 C +ATOM 70 CA SER A 70 265.082 271.809 242.627 1.00 0.00 C +ATOM 71 CA PRO A 71 264.892 268.324 244.155 1.00 0.00 C +ATOM 72 CA PRO A 72 262.746 265.448 242.875 1.00 0.00 C +ATOM 73 CA HIS A 73 259.061 264.482 242.901 1.00 0.00 C +ATOM 74 CA SER A 74 258.257 262.026 245.700 1.00 0.00 C +ATOM 75 CA ARG A 75 261.661 260.680 246.760 1.00 0.00 C +ATOM 76 CA GLY A 76 262.871 257.910 244.440 1.00 0.00 C +ATOM 77 CA VAL A 77 260.447 255.836 242.357 1.00 0.00 C +ATOM 78 CA HIS A 78 259.351 252.262 241.624 1.00 0.00 C +ATOM 79 CA ASP A 79 260.534 249.804 244.285 1.00 0.00 C +ATOM 80 CA HIS A 80 264.135 249.004 245.237 1.00 0.00 C +ATOM 81 CA VAL A 81 264.357 246.840 248.365 1.00 0.00 C +ATOM 82 CA PRO A 82 267.233 244.407 247.792 1.00 0.00 C +ATOM 83 CA LEU A 83 270.881 243.310 247.739 1.00 0.00 C +ATOM 84 CA ILE A 84 272.493 241.977 244.555 1.00 0.00 C +ATOM 85 CA HIS A 85 275.451 239.820 245.608 1.00 0.00 C +ATOM 86 CA ARG A 86 275.350 237.845 248.864 1.00 0.00 C +ATOM 87 CA ILE A 87 274.467 236.328 252.246 1.00 0.00 C +ATOM 88 CA PRO A 88 270.764 235.789 252.959 1.00 0.00 C +ATOM 89 CA ASP A 89 270.577 234.545 256.555 1.00 0.00 C +ATOM 90 CA ASN A 90 272.180 233.741 259.916 1.00 0.00 C +ATOM 91 CA ASN A 91 274.626 230.871 260.464 1.00 0.00 C +ATOM 92 CA ALA A 92 277.794 231.379 258.410 1.00 0.00 C +ATOM 93 CA GLY A 93 278.712 235.042 257.903 1.00 0.00 C +ATOM 94 CA ASN A 94 277.733 238.724 257.912 1.00 0.00 C +ATOM 95 CA MET A 95 276.861 241.916 256.024 1.00 0.00 C +ATOM 96 CA PRO A 96 279.007 242.203 252.889 1.00 0.00 C +ATOM 97 CA LEU A 97 280.877 241.575 249.630 1.00 0.00 C +ATOM 98 CA SER A 98 281.652 244.060 246.847 1.00 0.00 C +ATOM 99 CA PRO A 99 284.501 245.030 244.512 1.00 0.00 C +ATOM 100 CA PRO A 100 285.587 242.304 242.082 1.00 0.00 C +ATOM 101 CA PRO A 101 286.632 241.649 238.477 1.00 0.00 C +ATOM 102 CA PRO A 102 283.450 240.894 236.522 1.00 0.00 C +ATOM 103 CA PRO A 103 279.759 241.255 235.648 1.00 0.00 C +ATOM 104 CA PRO A 104 277.984 238.908 233.227 1.00 0.00 C +ATOM 105 CA PRO A 105 274.311 238.101 232.620 1.00 0.00 C +ATOM 106 CA SER A 106 271.330 235.741 232.372 1.00 0.00 C +ATOM 107 CA GLU A 107 267.790 234.607 233.209 1.00 0.00 C +ATOM 108 CA PHE A 108 264.640 235.821 234.975 1.00 0.00 C +ATOM 109 CA ARG A 109 264.685 237.709 238.284 1.00 0.00 C +ATOM 110 CA ARG A 110 261.906 236.857 240.748 1.00 0.00 C +ATOM 111 CA SER A 111 262.349 234.479 243.692 1.00 0.00 C +ATOM 112 CA PRO A 112 265.130 234.411 246.295 1.00 0.00 C +ATOM 113 CA SER A 113 264.446 237.316 248.664 1.00 0.00 C +ATOM 114 CA PRO A 114 263.665 240.228 250.993 1.00 0.00 C +ATOM 115 CA PRO A 115 265.356 240.521 254.395 1.00 0.00 C +ATOM 116 CA LEU A 116 265.346 238.537 257.647 1.00 0.00 C +ATOM 117 CA LYS A 117 265.498 236.602 260.926 1.00 0.00 C +ATOM 118 CA HIS A 118 262.347 235.354 262.666 1.00 0.00 C +ATOM 119 CA HIS A 119 259.488 237.198 264.383 1.00 0.00 C +ATOM 120 CA GLY A 120 255.886 238.197 265.117 1.00 0.00 C +ATOM 121 CA HIS A 121 254.692 241.598 263.881 1.00 0.00 C +ATOM 122 CA HIS A 122 254.456 244.788 265.950 1.00 0.00 C +ATOM 123 CA ARG A 123 252.902 248.139 266.882 1.00 0.00 C +ATOM 124 CA HIS A 124 253.932 250.229 269.897 1.00 0.00 C +ATOM 125 CA HIS A 125 257.584 250.754 270.846 1.00 0.00 C +ATOM 126 CA SER A 126 258.347 253.051 273.788 1.00 0.00 C +ATOM 127 CA GLY A 127 259.331 256.661 273.072 1.00 0.00 C +ATOM 128 CA SER A 128 257.080 258.700 275.372 1.00 0.00 C +ATOM 129 CA GLY A 129 254.558 261.164 276.817 1.00 0.00 C +ATOM 130 CA GLY A 130 251.561 263.516 276.865 1.00 0.00 C +ATOM 131 CA HIS A 131 249.432 263.439 273.706 1.00 0.00 C +ATOM 132 CA ARG A 132 251.460 261.835 270.908 1.00 0.00 C +ATOM 133 CA HIS A 133 249.438 259.559 268.617 1.00 0.00 C +ATOM 134 CA HIS A 134 247.698 259.647 265.228 1.00 0.00 C +ATOM 135 CA GLN A 135 244.327 257.925 265.661 1.00 0.00 C +ATOM 136 CA HIS A 136 240.519 257.986 265.557 1.00 0.00 C +ATOM 137 CA PRO A 137 239.169 255.239 263.287 1.00 0.00 C +ATOM 138 CA PRO A 138 239.115 251.586 262.207 1.00 0.00 C +ATOM 139 CA VAL A 139 242.205 249.469 261.513 1.00 0.00 C +ATOM 140 CA MET A 140 242.724 245.879 260.346 1.00 0.00 C +ATOM 141 CA THR A 141 243.690 242.389 259.161 1.00 0.00 C +ATOM 142 CA PRO A 142 242.046 238.995 259.702 1.00 0.00 C +ATOM 143 CA GLY A 143 238.702 237.173 259.592 1.00 0.00 C +ATOM 144 CA PHE A 144 236.340 238.134 256.761 1.00 0.00 C +ATOM 145 CA GLY A 145 234.188 240.820 255.127 1.00 0.00 C +ATOM 146 CA GLY A 146 232.290 239.715 252.013 1.00 0.00 C +ATOM 147 CA PRO A 147 228.671 239.024 251.043 1.00 0.00 C +ATOM 148 CA ALA A 148 226.122 241.431 252.533 1.00 0.00 C +ATOM 149 CA HIS A 149 223.949 243.015 255.233 1.00 0.00 C +ATOM 150 CA HIS A 150 223.618 246.809 255.147 1.00 0.00 C +ATOM 151 CA SER A 151 225.664 249.960 255.783 1.00 0.00 C +ATOM 152 CA HIS A 152 225.274 252.534 253.002 1.00 0.00 C +ATOM 153 CA PRO A 153 221.579 252.672 252.083 1.00 0.00 C +ATOM 154 CA SER A 154 219.944 255.654 250.366 1.00 0.00 C +ATOM 155 CA ALA A 155 220.775 259.349 249.950 1.00 0.00 C +ATOM 156 CA LEU A 156 222.783 262.103 248.248 1.00 0.00 C +ATOM 157 CA THR A 157 221.743 265.496 249.634 1.00 0.00 C +ATOM 158 CA PRO A 158 221.556 269.217 250.430 1.00 0.00 C +ATOM 159 CA GLY A 159 220.715 271.681 253.212 1.00 0.00 C +ATOM 160 CA GLY A 160 221.789 273.848 256.156 1.00 0.00 C +ATOM 161 CA GLY A 161 221.940 276.847 258.501 1.00 0.00 C +ATOM 162 CA SER A 162 221.737 276.584 262.297 1.00 0.00 C +ATOM 163 CA ARG A 163 224.129 275.006 264.807 1.00 0.00 C +ATOM 164 CA ASP A 164 226.474 272.438 266.365 1.00 0.00 C +ATOM 165 CA ILE A 165 227.814 268.986 265.472 1.00 0.00 C +ATOM 166 CA PRO A 166 228.310 267.321 262.081 1.00 0.00 C +ATOM 167 CA PRO A 167 226.013 264.533 260.868 1.00 0.00 C +ATOM 168 CA PRO A 168 223.017 266.114 259.126 1.00 0.00 C +ATOM 169 CA PRO A 169 220.685 267.432 261.836 1.00 0.00 C +ATOM 170 CA ALA A 170 218.525 269.927 263.741 1.00 0.00 C +ATOM 171 CA TYR A 171 216.447 268.689 266.685 1.00 0.00 C +ATOM 172 CA HIS A 172 214.815 266.822 269.577 1.00 0.00 C +ATOM 173 CA GLU A 173 214.188 267.532 273.267 1.00 0.00 C +ATOM 174 CA ASP A 174 210.539 268.058 274.231 1.00 0.00 C +ATOM 175 CA GLY A 175 208.792 271.403 273.707 1.00 0.00 C +ATOM 176 CA PRO A 176 207.027 274.428 275.206 1.00 0.00 C +ATOM 177 CA LEU A 177 208.077 274.913 278.836 1.00 0.00 C +ATOM 178 CA ILE A 178 206.069 277.355 280.962 1.00 0.00 C +ATOM 179 CA HIS A 179 202.434 278.462 281.237 1.00 0.00 C +ATOM 180 CA ARG A 180 199.877 281.169 280.430 1.00 0.00 C +ATOM 181 CA ILE A 181 196.145 281.913 280.255 1.00 0.00 C +ATOM 182 CA PRO A 182 194.918 284.353 277.598 1.00 0.00 C +ATOM 183 CA PRO A 183 195.634 283.224 274.031 1.00 0.00 C +ATOM 184 CA MET A 184 194.336 283.151 270.449 1.00 0.00 C +ATOM 185 CA GLY A 185 194.238 286.307 268.317 1.00 0.00 C +ATOM 186 CA VAL A 186 194.457 290.091 268.703 1.00 0.00 C +ATOM 187 CA PRO A 187 191.813 292.239 270.410 1.00 0.00 C +ATOM 188 CA GLY A 188 188.275 290.971 271.035 1.00 0.00 C +ATOM 189 CA ASN A 189 184.468 290.872 270.913 1.00 0.00 C +ATOM 190 CA ASN A 190 183.069 289.374 267.701 1.00 0.00 C +ATOM 191 CA ALA A 191 181.785 289.837 264.144 1.00 0.00 C +ATOM 192 CA PHE A 192 182.001 286.473 262.367 1.00 0.00 C +ATOM 193 CA VAL A 193 181.853 282.730 261.673 1.00 0.00 C +ATOM 194 CA PRO A 194 181.112 280.842 264.899 1.00 0.00 C +ATOM 195 CA PRO A 195 179.112 277.617 264.560 1.00 0.00 C +ATOM 196 CA HIS A 196 176.953 274.481 264.694 1.00 0.00 C +ATOM 197 CA GLY A 197 175.679 271.299 263.032 1.00 0.00 C +ATOM 198 CA MET A 198 176.362 267.651 263.893 1.00 0.00 C +ATOM 199 CA HIS A 199 177.801 264.137 263.580 1.00 0.00 C +ATOM 200 CA GLY A 200 180.911 263.103 265.523 1.00 0.00 C +ATOM 201 CA GLY A 201 184.351 261.684 266.339 1.00 0.00 C +ATOM 202 CA PRO A 202 186.084 258.383 267.125 1.00 0.00 C +ATOM 203 CA GLY A 203 187.127 255.319 265.115 1.00 0.00 C +ATOM 204 CA PRO A 204 190.119 253.101 265.918 1.00 0.00 C +ATOM 205 CA HIS A 205 192.405 250.273 264.781 1.00 0.00 C +ATOM 206 CA ALA A 206 191.811 248.715 261.356 1.00 0.00 C +ATOM 207 CA HIS A 207 193.694 245.733 259.914 1.00 0.00 C +ATOM 208 CA HIS A 208 196.715 243.717 261.065 1.00 0.00 C +ATOM 209 CA GLY A 209 198.990 241.318 262.958 1.00 0.00 C +ATOM 210 CA HIS A 210 201.861 240.444 260.611 1.00 0.00 C +ATOM 211 CA HIS A 211 203.829 237.636 262.271 1.00 0.00 C +ATOM 212 CA SER A 212 206.608 238.213 264.812 1.00 0.00 C +ATOM 213 CA PRO A 213 209.721 237.634 266.932 1.00 0.00 C +ATOM 214 CA HIS A 214 211.938 239.258 269.570 1.00 0.00 C +ATOM 215 CA HIS A 215 215.423 237.720 269.550 1.00 0.00 C +ATOM 216 CA GLN A 216 217.698 234.782 270.390 1.00 0.00 C +ATOM 217 CA HIS A 217 218.814 231.143 270.567 1.00 0.00 C +ATOM 218 CA TRP A 218 219.977 227.675 271.631 1.00 0.00 C +ATOM 219 CA HIS A 219 221.470 225.116 269.235 1.00 0.00 C +TER 220 HIS A 219 +END diff --git a/Fungi/A0A9P9GYB4/A0A9P9GYB4.dcd b/Fungi/A0A9P9GYB4/A0A9P9GYB4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c816f581d0982a2a98355dc1eccc7ca65baf5bbb --- /dev/null +++ b/Fungi/A0A9P9GYB4/A0A9P9GYB4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1a8aefc9a61693eb3a5d72c138590c22e6af14e4ed2c86daa91d5a0d19100444 +size 17480276 diff --git a/Fungi/A0A9P9GYB4/top.pdb b/Fungi/A0A9P9GYB4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e057af6bcec0e4aa2df64dea18b7f69daec0f5c0 --- /dev/null +++ b/Fungi/A0A9P9GYB4/top.pdb @@ -0,0 +1,143 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 279.626 277.770 299.087 1.00 0.00 C +ATOM 2 CA SER A 2 282.913 277.899 297.165 1.00 0.00 C +ATOM 3 CA ALA A 3 286.279 276.530 296.018 1.00 0.00 C +ATOM 4 CA LEU A 4 289.053 273.923 295.867 1.00 0.00 C +ATOM 5 CA THR A 5 288.299 270.982 298.168 1.00 0.00 C +ATOM 6 CA ALA A 6 285.728 270.569 300.950 1.00 0.00 C +ATOM 7 CA ALA A 7 284.310 267.575 302.832 1.00 0.00 C +ATOM 8 CA SER A 8 287.181 265.075 302.977 1.00 0.00 C +ATOM 9 CA SER A 9 289.083 263.835 299.918 1.00 0.00 C +ATOM 10 CA SER A 10 289.646 263.306 296.187 1.00 0.00 C +ATOM 11 CA TYR A 11 286.861 260.970 295.047 1.00 0.00 C +ATOM 12 CA TYR A 12 283.299 262.218 294.520 1.00 0.00 C +ATOM 13 CA ALA A 13 280.406 260.269 292.987 1.00 0.00 C +ATOM 14 CA SER A 14 279.592 260.627 289.282 1.00 0.00 C +ATOM 15 CA SER A 15 279.904 260.155 285.515 1.00 0.00 C +ATOM 16 CA VAL A 16 277.851 260.025 282.308 1.00 0.00 C +ATOM 17 CA SER A 17 277.592 262.936 279.863 1.00 0.00 C +ATOM 18 CA SER A 18 279.581 265.856 278.439 1.00 0.00 C +ATOM 19 CA ASP A 19 283.374 266.135 278.667 1.00 0.00 C +ATOM 20 CA SER A 20 285.406 262.919 278.892 1.00 0.00 C +ATOM 21 CA GLN A 21 289.123 263.751 278.804 1.00 0.00 C +ATOM 22 CA ASN A 22 290.226 266.732 280.904 1.00 0.00 C +ATOM 23 CA GLN A 23 289.941 270.531 280.924 1.00 0.00 C +ATOM 24 CA ASN A 24 287.054 272.721 279.747 1.00 0.00 C +ATOM 25 CA GLN A 25 286.323 276.348 280.655 1.00 0.00 C +ATOM 26 CA SER A 26 284.310 279.573 280.910 1.00 0.00 C +ATOM 27 CA GLY A 27 281.119 280.864 279.277 1.00 0.00 C +ATOM 28 CA GLY A 28 278.044 280.802 277.029 1.00 0.00 C +ATOM 29 CA ILE A 29 276.882 277.281 276.154 1.00 0.00 C +ATOM 30 CA PRO A 30 276.544 276.405 272.461 1.00 0.00 C +ATOM 31 CA GLY A 31 274.311 278.008 269.823 1.00 0.00 C +ATOM 32 CA THR A 32 273.708 275.262 267.252 1.00 0.00 C +ATOM 33 CA PRO A 33 273.000 274.394 263.610 1.00 0.00 C +ATOM 34 CA VAL A 34 271.962 270.877 262.578 1.00 0.00 C +ATOM 35 CA SER A 35 270.077 267.671 263.405 1.00 0.00 C +ATOM 36 CA GLY A 36 266.707 265.932 263.032 1.00 0.00 C +ATOM 37 CA ARG A 37 263.207 264.748 262.103 1.00 0.00 C +ATOM 38 CA SER A 38 260.204 266.923 261.228 1.00 0.00 C +ATOM 39 CA ARG A 39 257.310 269.240 262.107 1.00 0.00 C +ATOM 40 CA ARG A 40 255.745 272.092 260.125 1.00 0.00 C +ATOM 41 CA SER A 41 257.460 275.158 258.649 1.00 0.00 C +ATOM 42 CA GLY A 42 260.865 276.062 260.100 1.00 0.00 C +ATOM 43 CA GLY A 43 264.581 276.479 259.370 1.00 0.00 C +ATOM 44 CA TRP A 44 265.532 277.124 255.737 1.00 0.00 C +ATOM 45 CA ASP A 45 266.145 274.326 253.224 1.00 0.00 C +ATOM 46 CA ARG A 46 263.389 271.847 252.343 1.00 0.00 C +ATOM 47 CA GLN A 47 259.805 272.049 253.619 1.00 0.00 C +ATOM 48 CA THR A 48 256.808 269.874 254.513 1.00 0.00 C +ATOM 49 CA LEU A 49 257.856 266.212 254.587 1.00 0.00 C +ATOM 50 CA SER A 50 259.303 263.091 256.225 1.00 0.00 C +ATOM 51 CA PRO A 51 260.779 259.703 255.296 1.00 0.00 C +ATOM 52 CA ALA A 52 260.700 256.547 253.163 1.00 0.00 C +ATOM 53 CA ALA A 53 260.312 252.881 252.203 1.00 0.00 C +ATOM 54 CA ALA A 54 259.043 249.291 252.348 1.00 0.00 C +ATOM 55 CA ALA A 55 255.406 248.197 252.648 1.00 0.00 C +ATOM 56 CA ARG A 56 251.639 247.784 252.256 1.00 0.00 C +ATOM 57 CA ALA A 57 248.465 245.872 253.142 1.00 0.00 C +ATOM 58 CA GLY A 58 245.746 243.256 253.671 1.00 0.00 C +ATOM 59 CA VAL A 59 244.732 239.909 255.184 1.00 0.00 C +ATOM 60 CA ASP A 60 244.418 236.136 254.757 1.00 0.00 C +ATOM 61 CA ASP A 61 241.481 234.049 253.521 1.00 0.00 C +ATOM 62 CA PRO A 62 240.712 233.074 249.919 1.00 0.00 C +ATOM 63 CA THR A 63 242.990 232.820 246.875 1.00 0.00 C +ATOM 64 CA ILE A 64 243.840 233.162 243.177 1.00 0.00 C +ATOM 65 CA GLU A 65 244.945 230.170 241.093 1.00 0.00 C +ATOM 66 CA ASP A 66 244.213 227.625 238.354 1.00 0.00 C +ATOM 67 CA HIS A 67 242.871 228.907 235.026 1.00 0.00 C +ATOM 68 CA ALA A 68 245.289 231.056 233.014 1.00 0.00 C +ATOM 69 CA VAL A 69 245.908 234.733 233.796 1.00 0.00 C +ATOM 70 CA ASP A 70 243.152 236.701 232.050 1.00 0.00 C +ATOM 71 CA GLN A 71 242.742 237.804 228.426 1.00 0.00 C +ATOM 72 CA PRO A 72 244.865 240.955 228.152 1.00 0.00 C +ATOM 73 CA SER A 73 244.519 243.359 225.217 1.00 0.00 C +ATOM 74 CA SER A 74 244.088 243.789 221.455 1.00 0.00 C +ATOM 75 CA LEU A 75 243.245 243.485 217.752 1.00 0.00 C +ATOM 76 CA ARG A 76 244.178 241.156 214.886 1.00 0.00 C +ATOM 77 CA PRO A 77 246.402 238.098 214.413 1.00 0.00 C +ATOM 78 CA LYS A 78 247.618 234.545 215.055 1.00 0.00 C +ATOM 79 CA GLU A 79 251.411 234.275 214.828 1.00 0.00 C +ATOM 80 CA ASP A 80 253.579 237.102 216.179 1.00 0.00 C +ATOM 81 CA LEU A 81 253.775 240.821 216.984 1.00 0.00 C +ATOM 82 CA ASP A 82 253.646 241.720 220.684 1.00 0.00 C +ATOM 83 CA ASP A 83 251.634 240.875 223.807 1.00 0.00 C +ATOM 84 CA SER A 84 248.964 238.311 222.906 1.00 0.00 C +ATOM 85 CA SER A 85 247.789 234.906 221.666 1.00 0.00 C +ATOM 86 CA ASP A 86 244.451 233.812 223.143 1.00 0.00 C +ATOM 87 CA SER A 87 242.776 230.634 224.412 1.00 0.00 C +ATOM 88 CA SER A 88 241.003 228.731 221.629 1.00 0.00 C +ATOM 89 CA ASP A 89 241.386 225.003 220.938 1.00 0.00 C +ATOM 90 CA GLU A 90 245.076 224.130 220.567 1.00 0.00 C +ATOM 91 CA TYR A 91 245.242 221.396 217.918 1.00 0.00 C +ATOM 92 CA MET A 92 242.597 219.645 215.807 1.00 0.00 C +ATOM 93 CA THR A 93 240.886 216.409 216.864 1.00 0.00 C +ATOM 94 CA SER A 94 237.943 215.835 214.514 1.00 0.00 C +ATOM 95 CA TYR A 95 234.348 216.760 215.372 1.00 0.00 C +ATOM 96 CA ARG A 96 233.762 220.498 215.817 1.00 0.00 C +ATOM 97 CA PRO A 97 231.792 223.216 217.621 1.00 0.00 C +ATOM 98 CA LEU A 98 228.383 222.263 219.030 1.00 0.00 C +ATOM 99 CA GLU A 99 228.672 222.650 222.810 1.00 0.00 C +ATOM 100 CA ARG A 100 229.423 224.874 225.811 1.00 0.00 C +ATOM 101 CA SER A 101 228.766 223.882 229.430 1.00 0.00 C +ATOM 102 CA THR A 102 228.976 226.210 232.439 1.00 0.00 C +ATOM 103 CA ARG A 103 227.949 227.123 235.993 1.00 0.00 C +ATOM 104 CA VAL A 104 226.076 225.064 238.594 1.00 0.00 C +ATOM 105 CA SER A 105 224.085 223.765 241.571 1.00 0.00 C +ATOM 106 CA GLY A 106 225.300 224.973 244.974 1.00 0.00 C +ATOM 107 CA SER A 107 227.555 228.028 245.289 1.00 0.00 C +ATOM 108 CA ARG A 108 228.468 229.426 248.714 1.00 0.00 C +ATOM 109 CA SER A 109 226.350 232.517 249.404 1.00 0.00 C +ATOM 110 CA LYS A 110 226.428 236.087 248.074 1.00 0.00 C +ATOM 111 CA ARG A 111 223.200 237.283 246.441 1.00 0.00 C +ATOM 112 CA PHE A 112 220.671 240.128 246.278 1.00 0.00 C +ATOM 113 CA PHE A 113 217.214 241.513 247.081 1.00 0.00 C +ATOM 114 CA GLN A 114 213.629 240.231 246.923 1.00 0.00 C +ATOM 115 CA SER A 115 211.766 237.254 245.445 1.00 0.00 C +ATOM 116 CA PHE A 116 212.663 237.345 241.743 1.00 0.00 C +ATOM 117 CA VAL A 117 212.280 240.011 239.049 1.00 0.00 C +ATOM 118 CA LYS A 118 215.306 241.918 237.739 1.00 0.00 C +ATOM 119 CA LYS A 119 218.042 242.570 235.168 1.00 0.00 C +ATOM 120 CA PHE A 120 219.203 245.494 233.019 1.00 0.00 C +ATOM 121 CA ASN A 121 219.973 249.218 232.775 1.00 0.00 C +ATOM 122 CA LYS A 122 221.806 252.268 231.415 1.00 0.00 C +ATOM 123 CA SER A 123 222.506 254.826 234.152 1.00 0.00 C +ATOM 124 CA SER A 124 221.198 257.584 236.431 1.00 0.00 C +ATOM 125 CA VAL A 125 218.261 257.560 238.858 1.00 0.00 C +ATOM 126 CA ARG A 126 215.690 259.102 241.209 1.00 0.00 C +ATOM 127 CA PRO A 127 216.207 259.442 244.969 1.00 0.00 C +ATOM 128 CA SER A 128 218.502 258.564 247.880 1.00 0.00 C +ATOM 129 CA PRO A 129 219.513 255.026 248.868 1.00 0.00 C +ATOM 130 CA GLY A 130 223.060 253.973 247.961 1.00 0.00 C +ATOM 131 CA SER A 131 226.069 254.110 245.627 1.00 0.00 C +ATOM 132 CA ASP A 132 227.098 250.866 243.915 1.00 0.00 C +ATOM 133 CA LYS A 133 228.630 251.647 240.515 1.00 0.00 C +ATOM 134 CA PRO A 134 228.201 249.435 237.442 1.00 0.00 C +ATOM 135 CA LEU A 135 228.040 251.636 234.336 1.00 0.00 C +ATOM 136 CA ALA A 136 230.689 254.018 232.986 1.00 0.00 C +ATOM 137 CA SER A 137 233.341 254.685 235.639 1.00 0.00 C +ATOM 138 CA GLU A 138 234.883 252.536 238.381 1.00 0.00 C +ATOM 139 CA ASN A 139 236.049 251.803 241.933 1.00 0.00 C +TER 140 ASN A 139 +END diff --git a/Fungi/A0A9P9KQJ5/A0A9P9KQJ5.dcd b/Fungi/A0A9P9KQJ5/A0A9P9KQJ5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..9a74c080c562b0d2b825c15a0ad78cf5da8d2941 --- /dev/null +++ b/Fungi/A0A9P9KQJ5/A0A9P9KQJ5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a4a1682cb99df1d31446488a43d5847d90a2fe0fca88d7c160e39a87e1b04c20 +size 18440276 diff --git a/Fungi/A0A9P9KQJ5/top.pdb b/Fungi/A0A9P9KQJ5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..172596c4ecb3f42b0891c011052a10510060e845 --- /dev/null +++ b/Fungi/A0A9P9KQJ5/top.pdb @@ -0,0 +1,151 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 297.113 234.936 289.408 1.00 0.00 C +ATOM 2 CA ALA A 2 298.770 237.228 286.855 1.00 0.00 C +ATOM 3 CA SER A 3 299.484 238.202 283.242 1.00 0.00 C +ATOM 4 CA TYR A 4 303.138 237.565 282.372 1.00 0.00 C +ATOM 5 CA ILE A 5 306.702 238.460 281.365 1.00 0.00 C +ATOM 6 CA ARG A 6 306.923 241.928 279.802 1.00 0.00 C +ATOM 7 CA ASP A 7 306.584 245.621 280.673 1.00 0.00 C +ATOM 8 CA SER A 8 305.065 246.108 284.133 1.00 0.00 C +ATOM 9 CA ARG A 9 301.525 247.392 284.716 1.00 0.00 C +ATOM 10 CA SER A 10 298.498 249.460 285.754 1.00 0.00 C +ATOM 11 CA ALA A 11 295.362 249.768 283.612 1.00 0.00 C +ATOM 12 CA VAL A 12 292.613 252.401 283.772 1.00 0.00 C +ATOM 13 CA ARG A 13 290.727 254.383 281.122 1.00 0.00 C +ATOM 14 CA ALA A 14 287.451 256.286 281.528 1.00 0.00 C +ATOM 15 CA HIS A 15 284.552 257.397 283.737 1.00 0.00 C +ATOM 16 CA ARG A 16 282.815 260.305 285.481 1.00 0.00 C +ATOM 17 CA ARG A 17 283.552 263.878 284.381 1.00 0.00 C +ATOM 18 CA ASP A 18 280.410 266.033 284.337 1.00 0.00 C +ATOM 19 CA SER A 19 280.355 268.157 287.500 1.00 0.00 C +ATOM 20 CA SER A 20 277.155 267.484 289.456 1.00 0.00 C +ATOM 21 CA SER A 21 274.018 267.204 287.312 1.00 0.00 C +ATOM 22 CA SER A 22 270.991 267.183 289.626 1.00 0.00 C +ATOM 23 CA SER A 23 267.340 267.550 290.650 1.00 0.00 C +ATOM 24 CA SER A 24 263.912 265.889 290.579 1.00 0.00 C +ATOM 25 CA SER A 25 260.215 265.210 289.955 1.00 0.00 C +ATOM 26 CA HIS A 26 259.608 265.604 286.214 1.00 0.00 C +ATOM 27 CA THR A 27 256.738 266.318 283.813 1.00 0.00 C +ATOM 28 CA ASN A 28 254.660 269.408 284.618 1.00 0.00 C +ATOM 29 CA SER A 29 251.130 268.109 285.226 1.00 0.00 C +ATOM 30 CA ASN A 30 249.533 269.703 288.297 1.00 0.00 C +ATOM 31 CA ARG A 31 249.614 273.507 288.501 1.00 0.00 C +ATOM 32 CA THR A 32 250.867 275.373 291.577 1.00 0.00 C +ATOM 33 CA ARG A 33 251.343 279.153 291.582 1.00 0.00 C +ATOM 34 CA PRO A 34 248.885 281.363 293.477 1.00 0.00 C +ATOM 35 CA ARG A 35 251.058 284.013 295.140 1.00 0.00 C +ATOM 36 CA LEU A 36 251.817 287.599 296.183 1.00 0.00 C +ATOM 37 CA LEU A 37 254.009 290.653 295.568 1.00 0.00 C +ATOM 38 CA ARG A 38 254.939 290.419 291.881 1.00 0.00 C +ATOM 39 CA SER A 39 256.405 292.105 288.794 1.00 0.00 C +ATOM 40 CA SER A 40 259.444 291.657 286.541 1.00 0.00 C +ATOM 41 CA ALA A 41 258.092 290.968 283.046 1.00 0.00 C +ATOM 42 CA THR A 42 260.439 289.183 280.633 1.00 0.00 C +ATOM 43 CA GLU A 43 258.720 288.313 277.346 1.00 0.00 C +ATOM 44 CA PRO A 44 259.564 286.433 274.142 1.00 0.00 C +ATOM 45 CA SER A 45 257.855 285.438 270.885 1.00 0.00 C +ATOM 46 CA ILE A 46 256.443 286.455 267.496 1.00 0.00 C +ATOM 47 CA THR A 47 254.521 289.513 266.283 1.00 0.00 C +ATOM 48 CA ALA A 48 251.349 288.748 264.316 1.00 0.00 C +ATOM 49 CA SER A 49 248.476 288.510 261.825 1.00 0.00 C +ATOM 50 CA ASN A 50 246.190 285.898 260.255 1.00 0.00 C +ATOM 51 CA ALA A 51 244.883 284.163 257.125 1.00 0.00 C +ATOM 52 CA ILE A 52 246.163 283.644 253.574 1.00 0.00 C +ATOM 53 CA ARG A 53 249.578 285.294 253.217 1.00 0.00 C +ATOM 54 CA GLY A 54 251.722 283.749 250.473 1.00 0.00 C +ATOM 55 CA SER A 55 252.909 283.940 246.857 1.00 0.00 C +ATOM 56 CA PHE A 56 249.823 284.040 244.624 1.00 0.00 C +ATOM 57 CA ALA A 57 246.946 281.701 243.749 1.00 0.00 C +ATOM 58 CA GLY A 58 244.664 278.650 243.820 1.00 0.00 C +ATOM 59 CA PRO A 59 247.000 275.745 244.604 1.00 0.00 C +ATOM 60 CA GLY A 60 246.939 271.961 245.048 1.00 0.00 C +ATOM 61 CA SER A 61 246.316 269.342 242.352 1.00 0.00 C +ATOM 62 CA PRO A 62 245.986 268.162 238.744 1.00 0.00 C +ATOM 63 CA GLN A 63 246.606 271.071 236.363 1.00 0.00 C +ATOM 64 CA ARG A 64 248.966 273.845 235.246 1.00 0.00 C +ATOM 65 CA ALA A 65 251.959 273.702 237.599 1.00 0.00 C +ATOM 66 CA THR A 66 252.176 270.879 240.149 1.00 0.00 C +ATOM 67 CA ASP A 67 254.348 267.862 239.315 1.00 0.00 C +ATOM 68 CA LEU A 68 255.642 264.280 239.429 1.00 0.00 C +ATOM 69 CA LEU A 69 256.176 262.689 242.850 1.00 0.00 C +ATOM 70 CA ASN A 70 256.628 259.932 245.440 1.00 0.00 C +ATOM 71 CA ARG A 71 254.720 256.634 245.484 1.00 0.00 C +ATOM 72 CA VAL A 72 256.281 253.193 245.974 1.00 0.00 C +ATOM 73 CA ALA A 73 258.704 252.079 243.254 1.00 0.00 C +ATOM 74 CA VAL A 74 261.652 249.815 242.412 1.00 0.00 C +ATOM 75 CA TYR A 75 260.867 246.350 241.036 1.00 0.00 C +ATOM 76 CA SER A 76 261.023 246.166 237.233 1.00 0.00 C +ATOM 77 CA PRO A 77 262.949 247.628 234.288 1.00 0.00 C +ATOM 78 CA SER A 78 262.255 246.490 230.719 1.00 0.00 C +ATOM 79 CA PRO A 79 261.135 247.658 227.270 1.00 0.00 C +ATOM 80 CA GLU A 80 262.576 249.642 224.353 1.00 0.00 C +ATOM 81 CA ALA A 81 260.449 251.642 221.906 1.00 0.00 C +ATOM 82 CA SER A 82 261.177 255.366 222.248 1.00 0.00 C +ATOM 83 CA THR A 83 258.016 256.844 223.779 1.00 0.00 C +ATOM 84 CA PRO A 84 254.311 255.987 224.010 1.00 0.00 C +ATOM 85 CA GLY A 85 250.653 256.234 225.047 1.00 0.00 C +ATOM 86 CA PRO A 86 247.334 255.209 223.484 1.00 0.00 C +ATOM 87 CA VAL A 87 245.187 254.768 220.367 1.00 0.00 C +ATOM 88 CA SER A 88 243.054 252.054 218.755 1.00 0.00 C +ATOM 89 CA ARG A 89 240.091 250.354 220.442 1.00 0.00 C +ATOM 90 CA HIS A 90 238.074 247.385 221.718 1.00 0.00 C +ATOM 91 CA ALA A 91 238.070 243.578 221.881 1.00 0.00 C +ATOM 92 CA GLU A 92 240.864 242.140 224.036 1.00 0.00 C +ATOM 93 CA PRO A 93 240.735 240.244 227.338 1.00 0.00 C +ATOM 94 CA ILE A 94 239.038 237.344 229.135 1.00 0.00 C +ATOM 95 CA SER A 95 235.680 237.490 230.929 1.00 0.00 C +ATOM 96 CA ILE A 96 234.114 240.056 233.269 1.00 0.00 C +ATOM 97 CA CYS A 97 230.627 241.245 234.240 1.00 0.00 C +ATOM 98 CA ARG A 98 227.222 242.948 234.403 1.00 0.00 C +ATOM 99 CA ASP A 99 224.592 245.577 233.577 1.00 0.00 C +ATOM 100 CA ASP A 100 225.071 248.371 231.032 1.00 0.00 C +ATOM 101 CA ARG A 101 226.441 251.421 229.204 1.00 0.00 C +ATOM 102 CA GLU A 102 224.235 254.515 229.474 1.00 0.00 C +ATOM 103 CA HIS A 103 225.147 257.440 231.738 1.00 0.00 C +ATOM 104 CA SER A 104 226.394 260.420 229.719 1.00 0.00 C +ATOM 105 CA PRO A 105 225.649 259.758 226.041 1.00 0.00 C +ATOM 106 CA SER A 106 223.476 260.029 222.923 1.00 0.00 C +ATOM 107 CA SER A 107 224.169 256.886 220.885 1.00 0.00 C +ATOM 108 CA SER A 108 224.964 253.723 218.914 1.00 0.00 C +ATOM 109 CA PRO A 109 226.676 252.474 215.748 1.00 0.00 C +ATOM 110 CA GLY A 110 229.125 250.790 213.364 1.00 0.00 C +ATOM 111 CA SER A 111 229.087 248.399 210.398 1.00 0.00 C +ATOM 112 CA GLN A 112 227.166 245.167 211.010 1.00 0.00 C +ATOM 113 CA SER A 113 226.467 241.572 212.062 1.00 0.00 C +ATOM 114 CA VAL A 114 226.460 237.849 211.256 1.00 0.00 C +ATOM 115 CA VAL A 115 225.442 234.189 211.554 1.00 0.00 C +ATOM 116 CA MET A 116 225.858 232.851 215.096 1.00 0.00 C +ATOM 117 CA VAL A 117 226.514 229.218 216.041 1.00 0.00 C +ATOM 118 CA ASP A 118 228.672 226.182 216.842 1.00 0.00 C +ATOM 119 CA SER A 119 229.193 222.538 215.858 1.00 0.00 C +ATOM 120 CA PRO A 120 231.712 220.104 217.357 1.00 0.00 C +ATOM 121 CA SER A 121 232.803 217.087 219.413 1.00 0.00 C +ATOM 122 CA GLY A 122 233.525 216.761 223.139 1.00 0.00 C +ATOM 123 CA TYR A 123 233.126 214.903 226.442 1.00 0.00 C +ATOM 124 CA TYR A 124 230.840 212.421 228.213 1.00 0.00 C +ATOM 125 CA PHE A 125 230.864 210.361 231.418 1.00 0.00 C +ATOM 126 CA SER A 126 229.367 207.640 233.624 1.00 0.00 C +ATOM 127 CA PHE A 127 229.515 204.778 236.135 1.00 0.00 C +ATOM 128 CA PRO A 128 228.872 201.445 234.407 1.00 0.00 C +ATOM 129 CA SER A 129 230.489 198.056 235.052 1.00 0.00 C +ATOM 130 CA PHE A 130 229.985 195.084 237.383 1.00 0.00 C +ATOM 131 CA GLU A 131 230.582 191.635 238.887 1.00 0.00 C +ATOM 132 CA GLU A 132 231.101 189.309 235.915 1.00 0.00 C +ATOM 133 CA TRP A 133 233.507 189.567 232.971 1.00 0.00 C +ATOM 134 CA ASN A 134 236.504 191.563 234.216 1.00 0.00 C +ATOM 135 CA ARG A 135 237.320 194.746 236.144 1.00 0.00 C +ATOM 136 CA ASP A 136 235.856 196.800 238.999 1.00 0.00 C +ATOM 137 CA ASN A 137 235.549 200.485 238.081 1.00 0.00 C +ATOM 138 CA GLN A 138 235.664 203.952 239.658 1.00 0.00 C +ATOM 139 CA GLU A 139 235.388 207.291 241.471 1.00 0.00 C +ATOM 140 CA ASP A 140 232.211 209.253 240.711 1.00 0.00 C +ATOM 141 CA MET A 141 229.373 210.916 242.634 1.00 0.00 C +ATOM 142 CA ASN A 142 226.157 209.233 243.793 1.00 0.00 C +ATOM 143 CA LYS A 143 225.130 209.704 247.431 1.00 0.00 C +ATOM 144 CA ASP A 144 222.419 208.160 249.618 1.00 0.00 C +ATOM 145 CA SER A 145 223.285 204.736 251.047 1.00 0.00 C +ATOM 146 CA ASP A 146 220.509 202.156 250.654 1.00 0.00 C +ATOM 147 CA ASP A 147 218.292 200.818 247.859 1.00 0.00 C +TER 148 ASP A 147 +END diff --git a/Fungi/A0A9Q3BFP3/A0A9Q3BFP3.dcd b/Fungi/A0A9Q3BFP3/A0A9Q3BFP3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c867bf22145255dea809882d668f525e9d426867 --- /dev/null +++ b/Fungi/A0A9Q3BFP3/A0A9Q3BFP3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dc1fee04dfab19b417117bc4c897e74f558c476289ad677a51bcda7bad106fb5 +size 14240276 diff --git a/Fungi/A0A9Q3BFP3/top.pdb b/Fungi/A0A9Q3BFP3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8b4340d459f261fee4a172c3bd59590a64022eca --- /dev/null +++ b/Fungi/A0A9Q3BFP3/top.pdb @@ -0,0 +1,116 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 243.092 212.060 237.520 1.00 0.00 C +ATOM 2 CA PRO A 2 242.222 211.478 233.856 1.00 0.00 C +ATOM 3 CA VAL A 3 238.674 211.256 232.485 1.00 0.00 C +ATOM 4 CA HIS A 4 234.925 211.860 232.794 1.00 0.00 C +ATOM 5 CA HIS A 5 233.645 215.449 232.855 1.00 0.00 C +ATOM 6 CA SER A 6 234.194 219.213 233.065 1.00 0.00 C +ATOM 7 CA PRO A 7 234.556 221.711 235.919 1.00 0.00 C +ATOM 8 CA PRO A 8 234.169 225.439 235.230 1.00 0.00 C +ATOM 9 CA GLY A 9 236.973 227.905 235.986 1.00 0.00 C +ATOM 10 CA LYS A 10 240.014 226.491 237.794 1.00 0.00 C +ATOM 11 CA ASN A 11 242.361 224.959 240.374 1.00 0.00 C +ATOM 12 CA LYS A 12 242.289 224.180 244.103 1.00 0.00 C +ATOM 13 CA ARG A 13 243.992 224.459 247.500 1.00 0.00 C +ATOM 14 CA SER A 14 246.313 226.001 250.098 1.00 0.00 C +ATOM 15 CA GLN A 15 248.683 228.543 248.537 1.00 0.00 C +ATOM 16 CA ARG A 16 247.397 231.991 247.549 1.00 0.00 C +ATOM 17 CA HIS A 17 244.262 232.945 249.494 1.00 0.00 C +ATOM 18 CA GLN A 18 241.357 231.920 247.253 1.00 0.00 C +ATOM 19 CA ALA A 19 237.811 233.154 247.899 1.00 0.00 C +ATOM 20 CA VAL A 20 235.912 231.223 250.579 1.00 0.00 C +ATOM 21 CA LEU A 21 233.465 233.621 252.246 1.00 0.00 C +ATOM 22 CA ARG A 22 231.880 235.419 255.207 1.00 0.00 C +ATOM 23 CA PRO A 23 230.142 237.244 258.065 1.00 0.00 C +ATOM 24 CA THR A 24 229.707 237.767 261.813 1.00 0.00 C +ATOM 25 CA ALA A 25 230.283 241.427 262.703 1.00 0.00 C +ATOM 26 CA ARG A 26 232.298 244.147 264.452 1.00 0.00 C +ATOM 27 CA ALA A 27 234.215 246.847 262.568 1.00 0.00 C +ATOM 28 CA PRO A 28 237.762 247.140 263.930 1.00 0.00 C +ATOM 29 CA LEU A 29 239.479 250.211 265.392 1.00 0.00 C +ATOM 30 CA ASP A 30 242.819 251.575 266.615 1.00 0.00 C +ATOM 31 CA CYS A 31 243.777 255.032 267.899 1.00 0.00 C +ATOM 32 CA LYS A 32 240.877 256.175 270.089 1.00 0.00 C +ATOM 33 CA LEU A 33 238.438 253.739 271.711 1.00 0.00 C +ATOM 34 CA SER A 34 235.071 253.088 273.372 1.00 0.00 C +ATOM 35 CA ALA A 35 232.357 254.487 275.650 1.00 0.00 C +ATOM 36 CA HIS A 36 232.596 255.193 279.387 1.00 0.00 C +ATOM 37 CA GLN A 37 229.903 257.692 280.398 1.00 0.00 C +ATOM 38 CA LEU A 38 229.074 260.537 278.005 1.00 0.00 C +ATOM 39 CA SER A 39 232.137 262.802 277.967 1.00 0.00 C +ATOM 40 CA ALA A 40 233.963 263.999 274.844 1.00 0.00 C +ATOM 41 CA ASN A 41 237.089 265.999 273.982 1.00 0.00 C +ATOM 42 CA LEU A 42 240.797 265.172 273.694 1.00 0.00 C +ATOM 43 CA TYR A 43 242.003 261.578 273.313 1.00 0.00 C +ATOM 44 CA ARG A 44 245.801 261.279 273.315 1.00 0.00 C +ATOM 45 CA GLY A 45 248.290 264.124 272.840 1.00 0.00 C +ATOM 46 CA PRO A 46 250.584 264.296 269.803 1.00 0.00 C +ATOM 47 CA PRO A 47 250.414 267.789 268.292 1.00 0.00 C +ATOM 48 CA MET A 48 251.849 269.177 265.047 1.00 0.00 C +ATOM 49 CA GLU A 49 253.407 266.172 263.299 1.00 0.00 C +ATOM 50 CA GLY A 50 253.953 266.028 259.531 1.00 0.00 C +ATOM 51 CA GLU A 51 251.568 265.553 256.598 1.00 0.00 C +ATOM 52 CA ALA A 52 253.512 266.694 253.526 1.00 0.00 C +ATOM 53 CA PRO A 53 253.867 270.467 253.134 1.00 0.00 C +ATOM 54 CA SER A 54 252.224 273.801 252.294 1.00 0.00 C +ATOM 55 CA ARG A 55 248.545 274.112 251.357 1.00 0.00 C +ATOM 56 CA ARG A 56 247.192 270.746 250.192 1.00 0.00 C +ATOM 57 CA GLU A 57 248.455 267.193 249.648 1.00 0.00 C +ATOM 58 CA GLY A 58 247.323 266.329 246.115 1.00 0.00 C +ATOM 59 CA VAL A 59 250.142 264.826 244.040 1.00 0.00 C +ATOM 60 CA ASN A 60 248.651 261.939 242.050 1.00 0.00 C +ATOM 61 CA ILE A 61 245.281 261.050 240.512 1.00 0.00 C +ATOM 62 CA SER A 62 242.724 263.238 238.726 1.00 0.00 C +ATOM 63 CA GLN A 63 242.364 266.341 240.907 1.00 0.00 C +ATOM 64 CA GLY A 64 239.666 268.715 239.640 1.00 0.00 C +ATOM 65 CA PRO A 65 236.345 270.549 239.288 1.00 0.00 C +ATOM 66 CA ARG A 66 236.019 274.314 238.806 1.00 0.00 C +ATOM 67 CA SER A 67 238.027 277.478 239.493 1.00 0.00 C +ATOM 68 CA ARG A 68 240.762 280.051 240.141 1.00 0.00 C +ATOM 69 CA LYS A 69 244.289 278.952 239.210 1.00 0.00 C +ATOM 70 CA GLY A 70 247.632 277.147 238.920 1.00 0.00 C +ATOM 71 CA GLU A 71 249.068 275.542 242.064 1.00 0.00 C +ATOM 72 CA SER A 72 250.631 273.517 244.887 1.00 0.00 C +ATOM 73 CA GLU A 73 253.377 270.961 244.223 1.00 0.00 C +ATOM 74 CA HIS A 74 255.228 268.603 241.873 1.00 0.00 C +ATOM 75 CA GLU A 75 258.926 269.001 241.045 1.00 0.00 C +ATOM 76 CA LYS A 76 261.074 270.854 238.501 1.00 0.00 C +ATOM 77 CA GLY A 77 261.030 272.752 235.198 1.00 0.00 C +ATOM 78 CA GLU A 78 262.823 276.108 234.986 1.00 0.00 C +ATOM 79 CA ASP A 79 261.912 278.658 237.666 1.00 0.00 C +ATOM 80 CA SER A 80 264.443 278.242 240.483 1.00 0.00 C +ATOM 81 CA GLU A 81 265.639 278.868 244.046 1.00 0.00 C +ATOM 82 CA GLU A 82 268.571 276.611 244.952 1.00 0.00 C +ATOM 83 CA THR A 83 267.855 273.264 243.280 1.00 0.00 C +ATOM 84 CA GLU A 84 268.527 269.814 241.809 1.00 0.00 C +ATOM 85 CA VAL A 85 268.688 266.404 240.117 1.00 0.00 C +ATOM 86 CA ALA A 86 269.166 262.678 240.754 1.00 0.00 C +ATOM 87 CA ALA A 87 270.162 259.252 242.088 1.00 0.00 C +ATOM 88 CA ALA A 88 272.823 256.934 243.526 1.00 0.00 C +ATOM 89 CA LEU A 89 276.051 256.577 245.518 1.00 0.00 C +ATOM 90 CA ALA A 90 275.170 256.322 249.216 1.00 0.00 C +ATOM 91 CA GLY A 91 274.239 253.107 251.036 1.00 0.00 C +ATOM 92 CA ALA A 92 274.538 250.147 248.655 1.00 0.00 C +ATOM 93 CA ALA A 93 276.419 248.632 245.709 1.00 0.00 C +ATOM 94 CA GLU A 94 278.830 249.054 242.789 1.00 0.00 C +ATOM 95 CA ALA A 95 278.481 246.851 239.699 1.00 0.00 C +ATOM 96 CA TYR A 96 275.280 245.192 238.468 1.00 0.00 C +ATOM 97 CA GLU A 97 272.400 242.715 238.760 1.00 0.00 C +ATOM 98 CA ALA A 98 271.195 239.121 239.150 1.00 0.00 C +ATOM 99 CA PRO A 99 270.450 236.547 241.858 1.00 0.00 C +ATOM 100 CA ASN A 100 270.213 232.769 241.426 1.00 0.00 C +ATOM 101 CA LEU A 101 270.205 228.967 241.177 1.00 0.00 C +ATOM 102 CA ALA A 102 268.468 226.291 243.260 1.00 0.00 C +ATOM 103 CA PRO A 103 266.373 223.925 245.388 1.00 0.00 C +ATOM 104 CA SER A 104 262.592 223.972 244.926 1.00 0.00 C +ATOM 105 CA ASN A 105 260.793 220.615 245.026 1.00 0.00 C +ATOM 106 CA GLN A 106 258.015 218.779 246.879 1.00 0.00 C +ATOM 107 CA PRO A 107 256.846 220.648 249.986 1.00 0.00 C +ATOM 108 CA LEU A 108 253.211 221.762 249.742 1.00 0.00 C +ATOM 109 CA VAL A 109 251.154 218.779 248.564 1.00 0.00 C +ATOM 110 CA SER A 110 251.775 215.021 248.470 1.00 0.00 C +ATOM 111 CA GLN A 111 248.833 212.808 249.452 1.00 0.00 C +ATOM 112 CA ALA A 112 246.666 211.845 252.434 1.00 0.00 C +TER 113 ALA A 112 +END diff --git a/Fungi/A0A9Q3BHU2/A0A9Q3BHU2.dcd b/Fungi/A0A9Q3BHU2/A0A9Q3BHU2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..cfc8266f2818bb0e83bff47533db6ee15c2ac822 --- /dev/null +++ b/Fungi/A0A9Q3BHU2/A0A9Q3BHU2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:996b7d7b167e8ba30d58b09073ae91425ff572a730bf8b30987c14155ed5e69b +size 17600276 diff --git a/Fungi/A0A9Q3BHU2/top.pdb b/Fungi/A0A9Q3BHU2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..55a69218063ed077e8e2dbe0f465b72a5a86b6a9 --- /dev/null +++ b/Fungi/A0A9Q3BHU2/top.pdb @@ -0,0 +1,144 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 237.817 210.905 212.675 1.00 0.00 C +ATOM 2 CA SER A 2 239.927 212.003 209.699 1.00 0.00 C +ATOM 3 CA PRO A 3 238.305 213.581 206.634 1.00 0.00 C +ATOM 4 CA ILE A 4 240.903 215.790 204.936 1.00 0.00 C +ATOM 5 CA HIS A 5 243.887 217.607 203.414 1.00 0.00 C +ATOM 6 CA LEU A 6 245.076 221.225 203.507 1.00 0.00 C +ATOM 7 CA ARG A 7 246.365 223.847 205.953 1.00 0.00 C +ATOM 8 CA ASP A 8 248.392 226.978 206.729 1.00 0.00 C +ATOM 9 CA LEU A 9 252.187 226.658 206.848 1.00 0.00 C +ATOM 10 CA GLY A 10 255.157 224.499 207.862 1.00 0.00 C +ATOM 11 CA PHE A 11 254.146 220.840 208.185 1.00 0.00 C +ATOM 12 CA GLN A 12 256.579 218.076 207.208 1.00 0.00 C +ATOM 13 CA ARG A 13 256.778 214.272 207.111 1.00 0.00 C +ATOM 14 CA HIS A 14 258.084 213.156 203.711 1.00 0.00 C +ATOM 15 CA GLN A 15 255.361 211.692 201.484 1.00 0.00 C +ATOM 16 CA PRO A 16 252.529 209.150 201.668 1.00 0.00 C +ATOM 17 CA GLU A 17 251.481 205.618 200.697 1.00 0.00 C +ATOM 18 CA ASP A 18 251.343 203.230 203.662 1.00 0.00 C +ATOM 19 CA ARG A 19 252.207 205.179 206.820 1.00 0.00 C +ATOM 20 CA GLU A 20 251.918 204.510 210.559 1.00 0.00 C +ATOM 21 CA GLY A 21 250.744 206.249 213.739 1.00 0.00 C +ATOM 22 CA LEU A 22 251.390 208.371 216.837 1.00 0.00 C +ATOM 23 CA SER A 23 251.216 206.818 220.312 1.00 0.00 C +ATOM 24 CA ARG A 24 253.037 203.982 222.089 1.00 0.00 C +ATOM 25 CA THR A 25 253.485 200.832 219.994 1.00 0.00 C +ATOM 26 CA ARG A 26 257.136 199.743 219.968 1.00 0.00 C +ATOM 27 CA ARG A 27 259.871 202.159 221.063 1.00 0.00 C +ATOM 28 CA ALA A 28 258.703 205.709 220.317 1.00 0.00 C +ATOM 29 CA GLY A 29 260.180 208.452 218.124 1.00 0.00 C +ATOM 30 CA ARG A 30 260.645 212.070 217.024 1.00 0.00 C +ATOM 31 CA GLY A 31 262.465 215.217 218.164 1.00 0.00 C +ATOM 32 CA HIS A 32 265.880 216.806 218.740 1.00 0.00 C +ATOM 33 CA LEU A 33 268.186 216.023 221.670 1.00 0.00 C +ATOM 34 CA GLY A 34 271.628 214.801 220.587 1.00 0.00 C +ATOM 35 CA HIS A 35 273.793 211.960 219.263 1.00 0.00 C +ATOM 36 CA SER A 36 273.427 208.777 221.326 1.00 0.00 C +ATOM 37 CA GLY A 37 270.956 205.890 221.052 1.00 0.00 C +ATOM 38 CA GLY A 38 269.289 204.300 224.086 1.00 0.00 C +ATOM 39 CA TRP A 39 267.270 203.452 227.204 1.00 0.00 C +ATOM 40 CA GLN A 40 263.571 203.404 226.292 1.00 0.00 C +ATOM 41 CA GLU A 41 261.963 206.823 226.783 1.00 0.00 C +ATOM 42 CA ILE A 42 263.910 209.794 225.404 1.00 0.00 C +ATOM 43 CA GLU A 43 261.664 212.006 223.263 1.00 0.00 C +ATOM 44 CA GLY A 44 258.014 210.969 223.599 1.00 0.00 C +ATOM 45 CA ASN A 45 256.484 210.703 227.078 1.00 0.00 C +ATOM 46 CA HIS A 46 253.194 212.157 228.334 1.00 0.00 C +ATOM 47 CA THR A 47 251.047 213.400 231.226 1.00 0.00 C +ATOM 48 CA HIS A 48 247.402 214.397 230.742 1.00 0.00 C +ATOM 49 CA SER A 49 243.964 215.902 230.085 1.00 0.00 C +ATOM 50 CA ALA A 50 241.630 218.245 231.977 1.00 0.00 C +ATOM 51 CA ILE A 51 242.011 218.535 235.756 1.00 0.00 C +ATOM 52 CA HIS A 52 241.327 221.110 238.480 1.00 0.00 C +ATOM 53 CA ILE A 53 238.674 223.711 237.637 1.00 0.00 C +ATOM 54 CA PRO A 54 240.118 227.190 238.207 1.00 0.00 C +ATOM 55 CA ILE A 55 242.643 230.030 237.936 1.00 0.00 C +ATOM 56 CA GLU A 56 241.759 233.162 239.918 1.00 0.00 C +ATOM 57 CA ARG A 57 241.269 232.667 243.664 1.00 0.00 C +ATOM 58 CA LYS A 58 242.931 235.050 246.128 1.00 0.00 C +ATOM 59 CA PRO A 59 244.000 237.275 249.031 1.00 0.00 C +ATOM 60 CA GLN A 60 245.120 240.708 247.816 1.00 0.00 C +ATOM 61 CA THR A 61 246.350 242.110 244.494 1.00 0.00 C +ATOM 62 CA ARG A 62 246.533 242.288 240.693 1.00 0.00 C +ATOM 63 CA ARG A 63 247.528 245.591 239.076 1.00 0.00 C +ATOM 64 CA LEU A 64 248.299 249.217 238.196 1.00 0.00 C +ATOM 65 CA GLU A 65 251.914 250.368 237.847 1.00 0.00 C +ATOM 66 CA GLY A 66 251.658 254.061 236.945 1.00 0.00 C +ATOM 67 CA TYR A 67 250.540 256.299 239.819 1.00 0.00 C +ATOM 68 CA GLY A 68 250.887 260.085 239.571 1.00 0.00 C +ATOM 69 CA SER A 69 250.616 263.228 241.708 1.00 0.00 C +ATOM 70 CA SER A 70 248.056 263.440 244.523 1.00 0.00 C +ATOM 71 CA SER A 71 247.933 266.323 247.011 1.00 0.00 C +ATOM 72 CA SER A 72 249.735 269.524 246.001 1.00 0.00 C +ATOM 73 CA ALA A 73 253.204 270.013 247.500 1.00 0.00 C +ATOM 74 CA PRO A 74 256.747 270.421 248.841 1.00 0.00 C +ATOM 75 CA PRO A 75 260.522 270.023 249.162 1.00 0.00 C +ATOM 76 CA THR A 76 261.927 266.481 249.196 1.00 0.00 C +ATOM 77 CA PRO A 77 259.065 264.040 249.799 1.00 0.00 C +ATOM 78 CA GLN A 78 258.773 261.284 247.185 1.00 0.00 C +ATOM 79 CA ARG A 79 261.770 258.933 247.231 1.00 0.00 C +ATOM 80 CA PRO A 80 264.396 256.438 248.414 1.00 0.00 C +ATOM 81 CA LEU A 81 263.738 255.681 252.090 1.00 0.00 C +ATOM 82 CA SER A 82 262.632 258.554 254.335 1.00 0.00 C +ATOM 83 CA MET A 83 260.724 260.672 256.862 1.00 0.00 C +ATOM 84 CA GLU A 84 257.958 262.727 258.487 1.00 0.00 C +ATOM 85 CA HIS A 85 256.487 266.233 258.228 1.00 0.00 C +ATOM 86 CA GLY A 86 256.178 269.804 256.939 1.00 0.00 C +ATOM 87 CA LYS A 87 254.567 271.830 259.734 1.00 0.00 C +ATOM 88 CA LYS A 88 256.660 271.541 262.905 1.00 0.00 C +ATOM 89 CA GLU A 89 259.607 270.482 265.075 1.00 0.00 C +ATOM 90 CA VAL A 90 261.069 271.810 268.333 1.00 0.00 C +ATOM 91 CA GLN A 91 263.733 272.349 271.004 1.00 0.00 C +ATOM 92 CA PRO A 92 262.948 275.789 272.442 1.00 0.00 C +ATOM 93 CA ARG A 93 260.146 277.746 274.126 1.00 0.00 C +ATOM 94 CA ILE A 94 256.581 279.026 273.716 1.00 0.00 C +ATOM 95 CA PRO A 95 253.110 277.456 273.662 1.00 0.00 C +ATOM 96 CA LEU A 96 250.074 276.706 271.486 1.00 0.00 C +ATOM 97 CA GLY A 97 247.062 278.755 270.371 1.00 0.00 C +ATOM 98 CA ARG A 98 245.798 281.296 267.828 1.00 0.00 C +ATOM 99 CA THR A 99 244.134 284.651 268.527 1.00 0.00 C +ATOM 100 CA TRP A 100 242.941 286.710 271.503 1.00 0.00 C +ATOM 101 CA SER A 101 244.604 286.452 274.921 1.00 0.00 C +ATOM 102 CA LYS A 102 246.964 284.857 277.451 1.00 0.00 C +ATOM 103 CA LEU A 103 247.980 281.471 278.871 1.00 0.00 C +ATOM 104 CA ARG A 104 245.748 278.772 280.372 1.00 0.00 C +ATOM 105 CA GLU A 105 244.126 275.334 280.123 1.00 0.00 C +ATOM 106 CA ASP A 106 242.590 274.986 276.654 1.00 0.00 C +ATOM 107 CA MET A 107 241.294 276.103 273.250 1.00 0.00 C +ATOM 108 CA SER A 108 237.840 277.694 273.488 1.00 0.00 C +ATOM 109 CA GLN A 109 235.045 275.306 272.484 1.00 0.00 C +ATOM 110 CA ARG A 110 233.488 276.657 269.280 1.00 0.00 C +ATOM 111 CA ASP A 111 230.829 277.261 266.619 1.00 0.00 C +ATOM 112 CA ARG A 112 230.007 280.971 266.346 1.00 0.00 C +ATOM 113 CA LEU A 113 228.089 283.505 268.448 1.00 0.00 C +ATOM 114 CA GLN A 114 227.083 281.620 271.602 1.00 0.00 C +ATOM 115 CA ARG A 115 227.006 279.514 274.776 1.00 0.00 C +ATOM 116 CA PRO A 116 229.775 280.207 277.300 1.00 0.00 C +ATOM 117 CA TYR A 117 232.955 282.174 276.571 1.00 0.00 C +ATOM 118 CA GLY A 118 235.182 282.002 279.657 1.00 0.00 C +ATOM 119 CA ASN A 119 237.725 282.864 282.360 1.00 0.00 C +ATOM 120 CA HIS A 120 237.747 285.830 284.752 1.00 0.00 C +ATOM 121 CA GLN A 121 239.673 288.430 286.764 1.00 0.00 C +ATOM 122 CA ARG A 122 243.421 288.235 287.417 1.00 0.00 C +ATOM 123 CA LEU A 123 245.630 286.984 290.258 1.00 0.00 C +ATOM 124 CA GLU A 124 248.891 285.954 291.938 1.00 0.00 C +ATOM 125 CA SER A 125 250.448 287.828 294.867 1.00 0.00 C +ATOM 126 CA HIS A 126 250.617 285.754 298.059 1.00 0.00 C +ATOM 127 CA GLN A 127 247.355 284.112 299.145 1.00 0.00 C +ATOM 128 CA GLU A 128 244.235 285.206 301.038 1.00 0.00 C +ATOM 129 CA VAL A 129 241.641 285.817 303.760 1.00 0.00 C +ATOM 130 CA GLN A 130 242.163 289.104 305.614 1.00 0.00 C +ATOM 131 CA THR A 131 241.684 292.404 307.456 1.00 0.00 C +ATOM 132 CA SER A 132 239.469 295.094 305.914 1.00 0.00 C +ATOM 133 CA GLY A 133 238.437 298.716 306.487 1.00 0.00 C +ATOM 134 CA GLY A 134 237.586 301.124 309.315 1.00 0.00 C +ATOM 135 CA GLU A 135 240.752 302.197 311.141 1.00 0.00 C +ATOM 136 CA GLY A 136 243.805 301.927 313.404 1.00 0.00 C +ATOM 137 CA LYS A 137 246.863 303.599 314.945 1.00 0.00 C +ATOM 138 CA GLN A 138 247.627 307.036 316.400 1.00 0.00 C +ATOM 139 CA ASP A 139 249.224 308.053 319.707 1.00 0.00 C +ATOM 140 CA LYS A 140 251.358 311.203 319.901 1.00 0.00 C +TER 141 LYS A 140 +END diff --git a/Fungi/A0A9Q3BXB4/A0A9Q3BXB4.dcd b/Fungi/A0A9Q3BXB4/A0A9Q3BXB4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d348424f914585b11ae29930d96c3d376d882ec0 --- /dev/null +++ b/Fungi/A0A9Q3BXB4/A0A9Q3BXB4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a0c7d8316fd26a3c679775ec5b57370f05b1eb510095dc11f020bc6a801317e0 +size 10400276 diff --git a/Fungi/A0A9Q3BXB4/top.pdb b/Fungi/A0A9Q3BXB4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..91529cd8086a8a4b62e1cc29990869ca6b1af1ca --- /dev/null +++ b/Fungi/A0A9Q3BXB4/top.pdb @@ -0,0 +1,84 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 288.688 247.247 238.055 1.00 0.00 C +ATOM 2 CA VAL A 2 287.844 245.445 234.806 1.00 0.00 C +ATOM 3 CA THR A 3 290.700 244.189 232.619 1.00 0.00 C +ATOM 4 CA GLY A 4 290.720 245.724 229.132 1.00 0.00 C +ATOM 5 CA SER A 5 288.739 248.621 227.649 1.00 0.00 C +ATOM 6 CA ARG A 6 285.078 248.683 228.704 1.00 0.00 C +ATOM 7 CA GLN A 7 281.824 246.910 229.590 1.00 0.00 C +ATOM 8 CA ARG A 8 280.689 248.219 232.983 1.00 0.00 C +ATOM 9 CA ASP A 9 278.572 248.726 236.110 1.00 0.00 C +ATOM 10 CA VAL A 10 277.120 249.149 239.607 1.00 0.00 C +ATOM 11 CA ALA A 11 275.637 251.178 242.471 1.00 0.00 C +ATOM 12 CA ARG A 12 273.097 250.989 245.304 1.00 0.00 C +ATOM 13 CA TRP A 13 269.598 251.103 246.808 1.00 0.00 C +ATOM 14 CA THR A 14 266.591 252.736 245.131 1.00 0.00 C +ATOM 15 CA ASN A 15 264.251 255.672 244.487 1.00 0.00 C +ATOM 16 CA VAL A 16 261.489 258.286 244.722 1.00 0.00 C +ATOM 17 CA GLY A 17 259.156 259.463 247.495 1.00 0.00 C +ATOM 18 CA GLY A 18 258.172 261.074 250.805 1.00 0.00 C +ATOM 19 CA PRO A 19 257.770 259.605 254.297 1.00 0.00 C +ATOM 20 CA ILE A 20 254.121 259.216 255.320 1.00 0.00 C +ATOM 21 CA PRO A 21 252.718 255.722 255.899 1.00 0.00 C +ATOM 22 CA VAL A 22 253.150 253.186 253.089 1.00 0.00 C +ATOM 23 CA GLY A 23 252.570 250.361 250.598 1.00 0.00 C +ATOM 24 CA GLY A 24 250.223 247.917 252.340 1.00 0.00 C +ATOM 25 CA ARG A 25 248.533 247.516 255.732 1.00 0.00 C +ATOM 26 CA PRO A 26 249.483 245.359 258.726 1.00 0.00 C +ATOM 27 CA ILE A 27 247.801 242.433 260.494 1.00 0.00 C +ATOM 28 CA TYR A 28 244.167 242.485 259.353 1.00 0.00 C +ATOM 29 CA SER A 29 240.540 243.535 259.866 1.00 0.00 C +ATOM 30 CA SER A 30 238.996 243.929 263.327 1.00 0.00 C +ATOM 31 CA SER A 31 237.310 247.021 264.781 1.00 0.00 C +ATOM 32 CA GLU A 32 237.712 250.334 266.618 1.00 0.00 C +ATOM 33 CA VAL A 33 235.001 250.795 269.255 1.00 0.00 C +ATOM 34 CA PRO A 34 232.703 250.702 272.292 1.00 0.00 C +ATOM 35 CA ILE A 35 229.194 250.967 270.830 1.00 0.00 C +ATOM 36 CA SER A 36 229.459 252.427 267.321 1.00 0.00 C +ATOM 37 CA ARG A 37 230.962 255.909 267.684 1.00 0.00 C +ATOM 38 CA ILE A 38 232.165 259.390 268.657 1.00 0.00 C +ATOM 39 CA ASN A 39 235.968 259.600 268.534 1.00 0.00 C +ATOM 40 CA ASN A 40 238.668 261.284 266.440 1.00 0.00 C +ATOM 41 CA GLU A 41 240.967 263.303 268.710 1.00 0.00 C +ATOM 42 CA GLY A 42 244.256 264.591 270.140 1.00 0.00 C +ATOM 43 CA VAL A 43 247.093 266.674 268.680 1.00 0.00 C +ATOM 44 CA VAL A 44 245.539 270.078 267.964 1.00 0.00 C +ATOM 45 CA LYS A 45 245.336 273.098 265.649 1.00 0.00 C +ATOM 46 CA ARG A 46 242.173 274.035 263.743 1.00 0.00 C +ATOM 47 CA ARG A 47 239.074 272.368 265.203 1.00 0.00 C +ATOM 48 CA ARG A 48 237.004 269.172 265.327 1.00 0.00 C +ATOM 49 CA GLN A 49 236.770 266.852 262.314 1.00 0.00 C +ATOM 50 CA THR A 50 234.771 266.057 259.170 1.00 0.00 C +ATOM 51 CA VAL A 51 234.733 263.337 256.502 1.00 0.00 C +ATOM 52 CA ASP A 52 235.325 261.439 253.252 1.00 0.00 C +ATOM 53 CA SER A 53 235.711 257.787 254.265 1.00 0.00 C +ATOM 54 CA PRO A 54 237.135 255.100 251.969 1.00 0.00 C +ATOM 55 CA PRO A 55 240.715 253.828 251.677 1.00 0.00 C +ATOM 56 CA ASP A 56 243.672 251.626 250.716 1.00 0.00 C +ATOM 57 CA PRO A 57 245.631 251.375 247.457 1.00 0.00 C +ATOM 58 CA ASP A 58 247.428 248.106 246.682 1.00 0.00 C +ATOM 59 CA PRO A 59 246.521 244.505 245.829 1.00 0.00 C +ATOM 60 CA GLU A 60 244.939 241.750 247.933 1.00 0.00 C +ATOM 61 CA GLY A 61 246.534 241.437 251.379 1.00 0.00 C +ATOM 62 CA SER A 62 250.092 241.718 252.712 1.00 0.00 C +ATOM 63 CA ASP A 63 253.602 241.580 251.238 1.00 0.00 C +ATOM 64 CA GLU A 64 255.950 240.074 248.643 1.00 0.00 C +ATOM 65 CA LEU A 65 256.077 238.466 245.191 1.00 0.00 C +ATOM 66 CA ASP A 66 253.436 239.456 242.630 1.00 0.00 C +ATOM 67 CA GLY A 67 251.928 241.822 240.053 1.00 0.00 C +ATOM 68 CA GLU A 68 248.231 241.674 239.144 1.00 0.00 C +ATOM 69 CA GLU A 69 245.938 239.416 237.104 1.00 0.00 C +ATOM 70 CA VAL A 70 245.415 239.848 233.355 1.00 0.00 C +ATOM 71 CA ASP A 71 245.109 239.763 229.558 1.00 0.00 C +ATOM 72 CA VAL A 72 241.837 238.046 228.632 1.00 0.00 C +ATOM 73 CA VAL A 73 239.307 235.213 228.931 1.00 0.00 C +ATOM 74 CA ASN A 74 239.041 231.535 229.888 1.00 0.00 C +ATOM 75 CA SER A 75 236.103 229.766 231.548 1.00 0.00 C +ATOM 76 CA SER A 76 234.876 227.747 234.536 1.00 0.00 C +ATOM 77 CA ILE A 77 232.288 229.259 236.888 1.00 0.00 C +ATOM 78 CA GLY A 78 229.891 231.450 238.881 1.00 0.00 C +ATOM 79 CA LEU A 79 230.148 235.251 238.800 1.00 0.00 C +ATOM 80 CA ASN A 80 232.225 238.292 239.776 1.00 0.00 C +TER 81 ASN A 80 +END diff --git a/Fungi/A0A9Q3C5I1/A0A9Q3C5I1.dcd b/Fungi/A0A9Q3C5I1/A0A9Q3C5I1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..6d99035a693bf13a0ecb518bf8efc336359e2d79 --- /dev/null +++ b/Fungi/A0A9Q3C5I1/A0A9Q3C5I1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bc0f9dbbbf531910830d8480f7e13d8f250031c8ea654fb9d93f0f71e05aaa43 +size 17240276 diff --git a/Fungi/A0A9Q3C5I1/top.pdb b/Fungi/A0A9Q3C5I1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0a146e9b1f30785b74e45d861c70a808f1097f62 --- /dev/null +++ b/Fungi/A0A9Q3C5I1/top.pdb @@ -0,0 +1,141 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 229.035 305.947 262.399 1.00 0.00 C +ATOM 2 CA SER A 2 227.949 303.419 265.034 1.00 0.00 C +ATOM 3 CA PRO A 3 228.205 300.062 263.250 1.00 0.00 C +ATOM 4 CA VAL A 4 227.071 296.735 261.782 1.00 0.00 C +ATOM 5 CA HIS A 5 227.143 293.311 263.452 1.00 0.00 C +ATOM 6 CA LEU A 6 226.271 292.947 267.143 1.00 0.00 C +ATOM 7 CA ARG A 7 228.187 290.553 269.405 1.00 0.00 C +ATOM 8 CA ASP A 8 231.439 290.297 271.373 1.00 0.00 C +ATOM 9 CA LEU A 9 234.557 292.336 270.576 1.00 0.00 C +ATOM 10 CA GLY A 10 237.110 291.944 273.377 1.00 0.00 C +ATOM 11 CA PHE A 11 239.516 294.877 273.735 1.00 0.00 C +ATOM 12 CA GLN A 12 243.227 294.765 274.589 1.00 0.00 C +ATOM 13 CA ARG A 13 245.749 293.339 272.115 1.00 0.00 C +ATOM 14 CA HIS A 14 245.612 289.567 272.635 1.00 0.00 C +ATOM 15 CA GLN A 15 243.695 286.502 273.839 1.00 0.00 C +ATOM 16 CA PRO A 16 243.639 282.747 274.478 1.00 0.00 C +ATOM 17 CA GLU A 17 241.749 280.455 272.092 1.00 0.00 C +ATOM 18 CA ASP A 18 241.286 279.917 268.349 1.00 0.00 C +ATOM 19 CA ARG A 19 241.245 276.174 267.640 1.00 0.00 C +ATOM 20 CA GLU A 20 242.567 272.601 267.730 1.00 0.00 C +ATOM 21 CA GLY A 21 242.879 269.576 265.434 1.00 0.00 C +ATOM 22 CA LEU A 22 244.391 269.100 261.970 1.00 0.00 C +ATOM 23 CA SER A 23 246.751 266.122 261.683 1.00 0.00 C +ATOM 24 CA ARG A 24 249.394 266.520 264.399 1.00 0.00 C +ATOM 25 CA THR A 25 249.735 265.572 268.073 1.00 0.00 C +ATOM 26 CA ARG A 26 251.302 265.962 271.524 1.00 0.00 C +ATOM 27 CA ARG A 27 254.859 267.212 270.975 1.00 0.00 C +ATOM 28 CA PRO A 28 258.654 267.027 270.694 1.00 0.00 C +ATOM 29 CA GLY A 29 259.980 270.590 270.448 1.00 0.00 C +ATOM 30 CA ARG A 30 258.759 273.348 268.121 1.00 0.00 C +ATOM 31 CA GLY A 31 255.417 274.394 266.619 1.00 0.00 C +ATOM 32 CA HIS A 32 254.911 278.137 267.121 1.00 0.00 C +ATOM 33 CA LEU A 33 251.431 278.809 268.517 1.00 0.00 C +ATOM 34 CA ARG A 34 247.706 279.606 268.412 1.00 0.00 C +ATOM 35 CA HIS A 35 247.056 282.704 266.292 1.00 0.00 C +ATOM 36 CA SER A 36 248.020 282.365 262.621 1.00 0.00 C +ATOM 37 CA GLY A 37 248.533 279.710 259.937 1.00 0.00 C +ATOM 38 CA VAL A 38 247.003 277.912 256.948 1.00 0.00 C +ATOM 39 CA CYS A 39 243.326 276.912 257.003 1.00 0.00 C +ATOM 40 CA LYS A 40 240.925 273.991 257.465 1.00 0.00 C +ATOM 41 CA ASP A 41 238.888 272.104 254.856 1.00 0.00 C +ATOM 42 CA ILE A 42 240.759 268.816 254.408 1.00 0.00 C +ATOM 43 CA GLU A 43 241.557 265.145 253.769 1.00 0.00 C +ATOM 44 CA GLY A 44 244.051 263.623 251.324 1.00 0.00 C +ATOM 45 CA THR A 45 245.195 264.867 247.910 1.00 0.00 C +ATOM 46 CA ASN A 46 247.796 266.186 245.458 1.00 0.00 C +ATOM 47 CA THR A 47 249.853 267.113 242.388 1.00 0.00 C +ATOM 48 CA HIS A 48 253.618 267.628 242.123 1.00 0.00 C +ATOM 49 CA SER A 49 255.263 264.581 243.711 1.00 0.00 C +ATOM 50 CA ALA A 50 254.183 260.949 243.310 1.00 0.00 C +ATOM 51 CA ILE A 51 253.911 259.721 239.713 1.00 0.00 C +ATOM 52 CA HIS A 52 255.180 262.553 237.503 1.00 0.00 C +ATOM 53 CA ILE A 53 257.270 262.220 234.335 1.00 0.00 C +ATOM 54 CA PRO A 54 258.090 264.789 231.644 1.00 0.00 C +ATOM 55 CA ILE A 55 261.243 263.615 229.857 1.00 0.00 C +ATOM 56 CA GLN A 56 261.579 259.928 228.958 1.00 0.00 C +ATOM 57 CA GLN A 57 263.563 259.044 225.828 1.00 0.00 C +ATOM 58 CA LYS A 58 265.347 255.691 226.133 1.00 0.00 C +ATOM 59 CA PRO A 59 268.929 254.787 225.199 1.00 0.00 C +ATOM 60 CA GLN A 60 271.235 252.514 223.192 1.00 0.00 C +ATOM 61 CA HIS A 61 269.406 250.225 220.757 1.00 0.00 C +ATOM 62 CA ARG A 62 270.891 246.754 220.242 1.00 0.00 C +ATOM 63 CA GLY A 63 274.093 244.833 221.000 1.00 0.00 C +ATOM 64 CA LEU A 64 277.567 245.859 222.181 1.00 0.00 C +ATOM 65 CA GLU A 65 281.159 245.736 223.445 1.00 0.00 C +ATOM 66 CA GLY A 66 284.635 244.176 223.449 1.00 0.00 C +ATOM 67 CA ASN A 67 286.439 241.828 221.052 1.00 0.00 C +ATOM 68 CA GLY A 68 284.151 239.225 219.469 1.00 0.00 C +ATOM 69 CA PRO A 69 282.244 237.129 222.017 1.00 0.00 C +ATOM 70 CA GLY A 70 279.043 235.383 220.914 1.00 0.00 C +ATOM 71 CA SER A 71 277.495 233.775 224.002 1.00 0.00 C +ATOM 72 CA SER A 72 275.865 230.396 223.340 1.00 0.00 C +ATOM 73 CA ALA A 73 274.907 226.721 223.645 1.00 0.00 C +ATOM 74 CA PRO A 74 274.483 224.428 226.657 1.00 0.00 C +ATOM 75 CA PRO A 75 272.047 223.018 229.226 1.00 0.00 C +ATOM 76 CA THR A 76 269.254 221.819 231.524 1.00 0.00 C +ATOM 77 CA PRO A 77 269.022 221.871 235.326 1.00 0.00 C +ATOM 78 CA GLN A 78 266.588 224.527 236.565 1.00 0.00 C +ATOM 79 CA ARG A 79 267.989 228.070 236.592 1.00 0.00 C +ATOM 80 CA PRO A 80 266.003 230.617 238.614 1.00 0.00 C +ATOM 81 CA PHE A 81 264.564 229.139 241.817 1.00 0.00 C +ATOM 82 CA SER A 82 264.580 229.350 245.621 1.00 0.00 C +ATOM 83 CA MET A 83 263.201 229.625 249.162 1.00 0.00 C +ATOM 84 CA GLU A 84 260.916 227.424 251.272 1.00 0.00 C +ATOM 85 CA HIS A 85 257.115 227.618 251.445 1.00 0.00 C +ATOM 86 CA GLY A 86 255.611 230.724 249.832 1.00 0.00 C +ATOM 87 CA GLN A 87 255.355 234.253 248.416 1.00 0.00 C +ATOM 88 CA GLN A 88 253.934 234.992 244.960 1.00 0.00 C +ATOM 89 CA GLU A 89 252.330 232.440 242.631 1.00 0.00 C +ATOM 90 CA VAL A 90 251.365 228.913 243.700 1.00 0.00 C +ATOM 91 CA GLN A 91 249.605 226.098 245.571 1.00 0.00 C +ATOM 92 CA LEU A 92 245.982 224.933 245.747 1.00 0.00 C +ATOM 93 CA GLY A 93 243.892 225.402 242.596 1.00 0.00 C +ATOM 94 CA ILE A 94 240.881 224.806 240.339 1.00 0.00 C +ATOM 95 CA PRO A 95 240.245 225.687 236.687 1.00 0.00 C +ATOM 96 CA LEU A 96 242.254 227.220 233.836 1.00 0.00 C +ATOM 97 CA GLY A 97 240.827 230.628 232.907 1.00 0.00 C +ATOM 98 CA ARG A 98 239.381 232.834 230.157 1.00 0.00 C +ATOM 99 CA THR A 99 236.896 235.421 231.439 1.00 0.00 C +ATOM 100 CA TRP A 100 233.716 235.934 233.473 1.00 0.00 C +ATOM 101 CA SER A 101 233.812 235.066 237.182 1.00 0.00 C +ATOM 102 CA LYS A 102 232.398 237.129 240.056 1.00 0.00 C +ATOM 103 CA LEU A 103 234.504 238.642 242.848 1.00 0.00 C +ATOM 104 CA PRO A 104 234.478 241.173 245.696 1.00 0.00 C +ATOM 105 CA GLU A 105 235.915 244.439 247.030 1.00 0.00 C +ATOM 106 CA ASP A 106 239.592 245.182 246.364 1.00 0.00 C +ATOM 107 CA LEU A 107 241.255 242.535 244.186 1.00 0.00 C +ATOM 108 CA SER A 108 244.325 244.113 242.573 1.00 0.00 C +ATOM 109 CA GLN A 109 247.840 245.514 243.023 1.00 0.00 C +ATOM 110 CA ARG A 110 251.583 245.811 242.378 1.00 0.00 C +ATOM 111 CA ASP A 111 253.148 242.622 243.754 1.00 0.00 C +ATOM 112 CA ARG A 112 250.427 239.974 244.075 1.00 0.00 C +ATOM 113 CA LEU A 113 247.771 240.425 246.770 1.00 0.00 C +ATOM 114 CA GLN A 114 245.082 238.243 248.357 1.00 0.00 C +ATOM 115 CA ARG A 115 245.141 234.435 248.266 1.00 0.00 C +ATOM 116 CA PRO A 116 246.905 231.452 249.850 1.00 0.00 C +ATOM 117 CA CYS A 117 246.970 229.767 253.267 1.00 0.00 C +ATOM 118 CA GLY A 118 249.827 227.261 253.538 1.00 0.00 C +ATOM 119 CA ASN A 119 249.187 224.378 255.946 1.00 0.00 C +ATOM 120 CA HIS A 120 249.936 220.705 255.268 1.00 0.00 C +ATOM 121 CA GLN A 121 252.695 219.138 257.377 1.00 0.00 C +ATOM 122 CA GLY A 122 251.410 217.048 260.292 1.00 0.00 C +ATOM 123 CA LEU A 123 252.107 214.084 262.581 1.00 0.00 C +ATOM 124 CA GLU A 124 249.241 213.826 265.077 1.00 0.00 C +ATOM 125 CA SER A 125 245.565 212.887 265.421 1.00 0.00 C +ATOM 126 CA HIS A 126 243.808 209.522 265.747 1.00 0.00 C +ATOM 127 CA GLN A 127 240.175 208.512 265.201 1.00 0.00 C +ATOM 128 CA ALA A 128 237.535 208.085 262.487 1.00 0.00 C +ATOM 129 CA VAL A 129 234.816 209.670 260.340 1.00 0.00 C +ATOM 130 CA GLN A 130 233.249 213.131 260.620 1.00 0.00 C +ATOM 131 CA THR A 131 232.504 216.624 261.948 1.00 0.00 C +ATOM 132 CA PRO A 132 232.515 220.410 262.375 1.00 0.00 C +ATOM 133 CA GLY A 133 229.668 221.319 264.739 1.00 0.00 C +ATOM 134 CA GLY A 134 227.284 223.334 266.923 1.00 0.00 C +ATOM 135 CA GLU A 135 229.451 224.885 269.647 1.00 0.00 C +ATOM 136 CA GLY A 136 233.244 224.598 269.856 1.00 0.00 C +ATOM 137 CA LYS A 137 234.916 224.293 266.446 1.00 0.00 C +TER 138 LYS A 137 +END diff --git a/Fungi/A0A9Q3D4Z1/A0A9Q3D4Z1.dcd b/Fungi/A0A9Q3D4Z1/A0A9Q3D4Z1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..113b2fe2090f57b6ec442a86c9e0cfb67f98ec54 --- /dev/null +++ b/Fungi/A0A9Q3D4Z1/A0A9Q3D4Z1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:77ee57fb4fedbcd2e43c6868d9ee32d21e7399de77327c522153ca2b6f982b8f +size 10400276 diff --git a/Fungi/A0A9Q3D4Z1/top.pdb b/Fungi/A0A9Q3D4Z1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..154fdc133ec6cb7e356aafcbd1ae48c3c701e870 --- /dev/null +++ b/Fungi/A0A9Q3D4Z1/top.pdb @@ -0,0 +1,84 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 257.226 197.083 260.373 1.00 0.00 C +ATOM 2 CA PRO A 2 260.185 199.463 260.068 1.00 0.00 C +ATOM 3 CA GLU A 3 263.658 200.635 261.108 1.00 0.00 C +ATOM 4 CA ASP A 4 266.470 202.701 262.639 1.00 0.00 C +ATOM 5 CA ILE A 5 269.219 202.922 260.010 1.00 0.00 C +ATOM 6 CA SER A 6 268.338 205.944 257.863 1.00 0.00 C +ATOM 7 CA GLN A 7 267.625 208.829 255.480 1.00 0.00 C +ATOM 8 CA ARG A 8 267.725 211.960 257.650 1.00 0.00 C +ATOM 9 CA TYR A 9 267.594 214.054 260.830 1.00 0.00 C +ATOM 10 CA THR A 10 269.877 215.421 263.557 1.00 0.00 C +ATOM 11 CA LEU A 11 269.733 219.228 263.583 1.00 0.00 C +ATOM 12 CA GLN A 12 266.338 220.044 265.107 1.00 0.00 C +ATOM 13 CA ARG A 13 263.262 221.610 263.493 1.00 0.00 C +ATOM 14 CA TYR A 14 262.514 219.374 260.500 1.00 0.00 C +ATOM 15 CA ASN A 15 261.915 221.247 257.237 1.00 0.00 C +ATOM 16 CA GLY A 16 263.624 221.998 253.916 1.00 0.00 C +ATOM 17 CA ASN A 17 261.397 224.261 251.810 1.00 0.00 C +ATOM 18 CA GLN A 18 263.555 226.567 249.679 1.00 0.00 C +ATOM 19 CA ARG A 19 266.781 228.505 249.082 1.00 0.00 C +ATOM 20 CA ARG A 20 267.307 231.819 250.886 1.00 0.00 C +ATOM 21 CA MET A 21 270.345 233.838 249.783 1.00 0.00 C +ATOM 22 CA ALA A 22 273.805 235.253 250.517 1.00 0.00 C +ATOM 23 CA SER A 23 274.947 237.940 248.069 1.00 0.00 C +ATOM 24 CA GLN A 24 274.852 241.699 248.680 1.00 0.00 C +ATOM 25 CA GLN A 25 275.561 244.205 245.899 1.00 0.00 C +ATOM 26 CA GLU A 26 274.314 243.692 242.335 1.00 0.00 C +ATOM 27 CA VAL A 27 270.962 242.394 241.074 1.00 0.00 C +ATOM 28 CA GLN A 28 267.769 240.983 242.603 1.00 0.00 C +ATOM 29 CA ALA A 29 267.341 242.858 245.892 1.00 0.00 C +ATOM 30 CA PRO A 30 265.675 242.845 249.318 1.00 0.00 C +ATOM 31 CA GLY A 31 263.978 246.187 250.003 1.00 0.00 C +ATOM 32 CA GLY A 32 265.010 249.633 248.746 1.00 0.00 C +ATOM 33 CA LYS A 33 266.942 250.835 245.690 1.00 0.00 C +ATOM 34 CA GLY A 34 266.192 249.495 242.204 1.00 0.00 C +ATOM 35 CA SER A 35 265.226 252.162 239.659 1.00 0.00 C +ATOM 36 CA GLN A 36 261.511 251.822 238.884 1.00 0.00 C +ATOM 37 CA ASN A 37 258.332 253.680 237.907 1.00 0.00 C +ATOM 38 CA LYS A 38 255.975 253.703 240.900 1.00 0.00 C +ATOM 39 CA GLY A 39 253.022 256.070 241.343 1.00 0.00 C +ATOM 40 CA LYS A 40 250.785 255.085 244.265 1.00 0.00 C +ATOM 41 CA SER A 41 247.900 252.704 244.987 1.00 0.00 C +ATOM 42 CA SER A 42 248.711 249.085 245.861 1.00 0.00 C +ATOM 43 CA HIS A 43 250.031 247.201 248.898 1.00 0.00 C +ATOM 44 CA TYR A 44 252.754 247.433 251.554 1.00 0.00 C +ATOM 45 CA PRO A 45 256.269 248.887 251.342 1.00 0.00 C +ATOM 46 CA SER A 46 258.205 251.286 249.104 1.00 0.00 C +ATOM 47 CA ASN A 47 257.622 254.963 248.289 1.00 0.00 C +ATOM 48 CA ARG A 48 255.634 258.178 248.760 1.00 0.00 C +ATOM 49 CA ARG A 49 255.219 261.400 246.768 1.00 0.00 C +ATOM 50 CA GLU A 50 251.883 263.119 247.425 1.00 0.00 C +ATOM 51 CA THR A 51 248.532 261.816 248.686 1.00 0.00 C +ATOM 52 CA ASP A 52 245.894 264.540 249.054 1.00 0.00 C +ATOM 53 CA PRO A 53 243.764 266.072 246.291 1.00 0.00 C +ATOM 54 CA GLU A 54 244.205 269.834 246.700 1.00 0.00 C +ATOM 55 CA ARG A 55 242.723 272.909 245.008 1.00 0.00 C +ATOM 56 CA ALA A 56 244.663 275.890 246.376 1.00 0.00 C +ATOM 57 CA TYR A 57 244.119 279.501 245.290 1.00 0.00 C +ATOM 58 CA SER A 58 240.541 280.182 244.174 1.00 0.00 C +ATOM 59 CA ASP A 59 238.535 281.804 241.370 1.00 0.00 C +ATOM 60 CA SER A 60 235.697 284.228 242.136 1.00 0.00 C +ATOM 61 CA PHE A 61 235.723 286.043 245.486 1.00 0.00 C +ATOM 62 CA LYS A 62 233.955 283.895 248.088 1.00 0.00 C +ATOM 63 CA LEU A 63 231.591 285.778 250.408 1.00 0.00 C +ATOM 64 CA THR A 64 228.301 284.377 251.723 1.00 0.00 C +ATOM 65 CA ARG A 65 225.100 282.736 252.978 1.00 0.00 C +ATOM 66 CA SER A 66 222.216 281.973 255.348 1.00 0.00 C +ATOM 67 CA LYS A 67 220.877 278.505 256.183 1.00 0.00 C +ATOM 68 CA PRO A 68 219.700 274.959 256.931 1.00 0.00 C +ATOM 69 CA THR A 69 220.024 271.240 256.173 1.00 0.00 C +ATOM 70 CA ARG A 70 216.790 270.364 254.359 1.00 0.00 C +ATOM 71 CA LEU A 71 213.579 272.366 254.802 1.00 0.00 C +ATOM 72 CA PRO A 72 211.262 271.463 251.915 1.00 0.00 C +ATOM 73 CA SER A 73 212.144 273.534 248.842 1.00 0.00 C +ATOM 74 CA GLY A 74 214.902 275.322 246.914 1.00 0.00 C +ATOM 75 CA LEU A 75 218.485 274.670 248.035 1.00 0.00 C +ATOM 76 CA THR A 76 221.175 272.411 246.560 1.00 0.00 C +ATOM 77 CA PRO A 77 219.684 270.401 243.687 1.00 0.00 C +ATOM 78 CA PHE A 78 215.893 270.145 243.966 1.00 0.00 C +ATOM 79 CA ARG A 79 213.863 266.980 244.579 1.00 0.00 C +ATOM 80 CA ASN A 80 214.948 263.764 246.309 1.00 0.00 C +TER 81 ASN A 80 +END diff --git a/Fungi/A0A9Q3DHK3/A0A9Q3DHK3.dcd b/Fungi/A0A9Q3DHK3/A0A9Q3DHK3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..0cf0144f22c61db087b8aca028a20c9db8bcddce --- /dev/null +++ b/Fungi/A0A9Q3DHK3/A0A9Q3DHK3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f96d9ff6f8617c856882efa0ca09ec65e05838f2face683e0aee4c341d3ffc67 +size 10400276 diff --git a/Fungi/A0A9Q3DHK3/top.pdb b/Fungi/A0A9Q3DHK3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..76645930332d35c8e1ef92dc7de2050993055768 --- /dev/null +++ b/Fungi/A0A9Q3DHK3/top.pdb @@ -0,0 +1,84 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 273.219 267.264 240.298 1.00 0.00 C +ATOM 2 CA PRO A 2 271.754 265.637 243.416 1.00 0.00 C +ATOM 3 CA SER A 3 268.118 265.114 244.426 1.00 0.00 C +ATOM 4 CA THR A 4 264.682 264.368 245.894 1.00 0.00 C +ATOM 5 CA ARG A 5 261.210 263.397 247.128 1.00 0.00 C +ATOM 6 CA SER A 6 257.817 263.293 248.857 1.00 0.00 C +ATOM 7 CA GLY A 7 258.185 262.265 252.508 1.00 0.00 C +ATOM 8 CA ALA A 8 258.059 258.513 253.154 1.00 0.00 C +ATOM 9 CA ARG A 9 260.224 257.880 256.224 1.00 0.00 C +ATOM 10 CA TYR A 10 260.044 254.187 257.140 1.00 0.00 C +ATOM 11 CA ASN A 11 259.064 251.372 259.514 1.00 0.00 C +ATOM 12 CA PRO A 12 261.367 248.426 258.782 1.00 0.00 C +ATOM 13 CA LEU A 13 264.755 246.803 259.411 1.00 0.00 C +ATOM 14 CA SER A 14 267.193 244.321 257.856 1.00 0.00 C +ATOM 15 CA SER A 15 265.678 240.896 257.157 1.00 0.00 C +ATOM 16 CA SER A 16 264.279 239.544 260.433 1.00 0.00 C +ATOM 17 CA GLN A 17 266.538 239.600 263.500 1.00 0.00 C +ATOM 18 CA LYS A 18 265.871 238.699 267.142 1.00 0.00 C +ATOM 19 CA GLY A 19 268.693 238.559 269.698 1.00 0.00 C +ATOM 20 CA TYR A 20 271.002 241.588 269.811 1.00 0.00 C +ATOM 21 CA ARG A 21 273.030 243.199 267.017 1.00 0.00 C +ATOM 22 CA ARG A 22 272.277 242.037 263.467 1.00 0.00 C +ATOM 23 CA ASP A 23 272.142 240.346 260.056 1.00 0.00 C +ATOM 24 CA TYR A 24 272.944 242.612 257.100 1.00 0.00 C +ATOM 25 CA GLY A 25 272.831 243.586 253.418 1.00 0.00 C +ATOM 26 CA ARG A 26 271.570 244.552 249.955 1.00 0.00 C +ATOM 27 CA ARG A 27 269.873 244.951 246.568 1.00 0.00 C +ATOM 28 CA GLN A 28 270.401 245.089 242.797 1.00 0.00 C +ATOM 29 CA SER A 29 270.260 245.279 238.994 1.00 0.00 C +ATOM 30 CA VAL A 30 266.684 245.430 237.687 1.00 0.00 C +ATOM 31 CA GLU A 31 266.721 244.270 234.058 1.00 0.00 C +ATOM 32 CA GLU A 32 263.201 244.485 232.617 1.00 0.00 C +ATOM 33 CA GLY A 33 260.583 241.756 233.080 1.00 0.00 C +ATOM 34 CA GLN A 34 262.576 238.511 232.957 1.00 0.00 C +ATOM 35 CA GLY A 35 263.173 235.487 235.197 1.00 0.00 C +ATOM 36 CA SER A 36 260.787 235.256 238.159 1.00 0.00 C +ATOM 37 CA VAL A 37 257.949 234.308 240.518 1.00 0.00 C +ATOM 38 CA ASN A 38 255.944 234.659 243.738 1.00 0.00 C +ATOM 39 CA GLY A 39 254.664 232.262 246.409 1.00 0.00 C +ATOM 40 CA SER A 40 250.911 232.823 246.744 1.00 0.00 C +ATOM 41 CA GLN A 41 248.515 235.785 246.682 1.00 0.00 C +ATOM 42 CA ILE A 42 248.719 238.998 244.644 1.00 0.00 C +ATOM 43 CA GLU A 43 249.000 242.786 244.354 1.00 0.00 C +ATOM 44 CA GLU A 44 247.332 244.343 247.406 1.00 0.00 C +ATOM 45 CA LEU A 45 248.290 246.077 250.660 1.00 0.00 C +ATOM 46 CA CYS A 46 251.207 247.862 252.341 1.00 0.00 C +ATOM 47 CA HIS A 47 250.700 251.597 252.891 1.00 0.00 C +ATOM 48 CA SER A 48 250.306 254.169 250.108 1.00 0.00 C +ATOM 49 CA GLU A 49 247.165 256.239 249.503 1.00 0.00 C +ATOM 50 CA ALA A 50 244.209 256.418 251.899 1.00 0.00 C +ATOM 51 CA ASP A 51 241.544 254.709 254.018 1.00 0.00 C +ATOM 52 CA SER A 52 238.241 253.011 254.869 1.00 0.00 C +ATOM 53 CA THR A 53 234.678 254.332 254.598 1.00 0.00 C +ATOM 54 CA VAL A 54 232.059 251.745 253.617 1.00 0.00 C +ATOM 55 CA LEU A 55 233.074 249.634 250.612 1.00 0.00 C +ATOM 56 CA PRO A 56 232.373 250.866 247.075 1.00 0.00 C +ATOM 57 CA LEU A 57 229.901 248.816 245.025 1.00 0.00 C +ATOM 58 CA ASN A 58 229.263 250.402 241.620 1.00 0.00 C +ATOM 59 CA SER A 59 231.964 250.596 238.940 1.00 0.00 C +ATOM 60 CA ALA A 60 232.173 252.259 235.519 1.00 0.00 C +ATOM 61 CA GLY A 61 235.067 253.543 233.399 1.00 0.00 C +ATOM 62 CA THR A 62 236.768 256.381 235.290 1.00 0.00 C +ATOM 63 CA ALA A 63 240.179 258.018 235.734 1.00 0.00 C +ATOM 64 CA THR A 64 240.412 259.161 239.361 1.00 0.00 C +ATOM 65 CA ARG A 65 237.819 257.226 241.371 1.00 0.00 C +ATOM 66 CA SER A 66 234.326 258.749 241.392 1.00 0.00 C +ATOM 67 CA ILE A 67 233.008 261.387 243.804 1.00 0.00 C +ATOM 68 CA SER A 68 230.228 263.915 244.434 1.00 0.00 C +ATOM 69 CA GLY A 69 229.345 266.728 246.847 1.00 0.00 C +ATOM 70 CA HIS A 70 226.352 266.029 249.100 1.00 0.00 C +ATOM 71 CA ILE A 71 226.479 263.760 252.157 1.00 0.00 C +ATOM 72 CA GLN A 72 225.011 260.401 253.198 1.00 0.00 C +ATOM 73 CA SER A 73 221.718 259.289 254.757 1.00 0.00 C +ATOM 74 CA GLN A 74 220.226 257.118 257.510 1.00 0.00 C +ATOM 75 CA PRO A 75 219.158 255.441 260.760 1.00 0.00 C +ATOM 76 CA GLU A 76 221.574 253.323 262.807 1.00 0.00 C +ATOM 77 CA GLY A 77 224.331 250.990 264.020 1.00 0.00 C +ATOM 78 CA LEU A 78 223.825 248.280 266.651 1.00 0.00 C +ATOM 79 CA GLN A 79 227.149 247.493 268.338 1.00 0.00 C +ATOM 80 CA LYS A 80 230.035 249.502 269.806 1.00 0.00 C +TER 81 LYS A 80 +END diff --git a/Fungi/A0A9Q3DHK9/A0A9Q3DHK9.dcd b/Fungi/A0A9Q3DHK9/A0A9Q3DHK9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d34a2e877c4da935020dcbeae2090e99c2cb70d0 --- /dev/null +++ b/Fungi/A0A9Q3DHK9/A0A9Q3DHK9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cf1debc909d2c8b74f18a255890b36169fed653b5997cd30a27fc112112a397f +size 12200276 diff --git a/Fungi/A0A9Q3DHK9/top.pdb b/Fungi/A0A9Q3DHK9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7291e2aef0b8e1c599d97472570be3e176dbe904 --- /dev/null +++ b/Fungi/A0A9Q3DHK9/top.pdb @@ -0,0 +1,99 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 252.166 286.037 251.568 1.00 0.00 C +ATOM 2 CA GLU A 2 250.958 285.141 248.067 1.00 0.00 C +ATOM 3 CA HIS A 3 249.347 281.713 247.654 1.00 0.00 C +ATOM 4 CA GLY A 4 246.516 280.889 245.242 1.00 0.00 C +ATOM 5 CA LEU A 5 242.709 280.798 245.385 1.00 0.00 C +ATOM 6 CA GLN A 6 239.519 278.722 245.560 1.00 0.00 C +ATOM 7 CA GLU A 7 236.652 279.264 243.110 1.00 0.00 C +ATOM 8 CA GLY A 8 233.828 276.891 242.153 1.00 0.00 C +ATOM 9 CA GLU A 9 230.142 276.284 242.899 1.00 0.00 C +ATOM 10 CA PRO A 10 227.976 278.954 244.542 1.00 0.00 C +ATOM 11 CA GLY A 11 228.524 282.436 245.986 1.00 0.00 C +ATOM 12 CA ILE A 12 231.802 284.369 245.790 1.00 0.00 C +ATOM 13 CA SER A 13 232.801 287.015 243.237 1.00 0.00 C +ATOM 14 CA LEU A 14 234.160 287.198 239.682 1.00 0.00 C +ATOM 15 CA GLY A 15 235.923 289.674 237.386 1.00 0.00 C +ATOM 16 CA ARG A 16 238.462 291.894 235.613 1.00 0.00 C +ATOM 17 CA THR A 17 240.116 291.159 232.260 1.00 0.00 C +ATOM 18 CA TRP A 18 239.554 289.713 228.781 1.00 0.00 C +ATOM 19 CA SER A 19 241.689 288.919 225.727 1.00 0.00 C +ATOM 20 CA LYS A 20 241.256 285.969 223.355 1.00 0.00 C +ATOM 21 CA LEU A 21 241.121 284.152 220.009 1.00 0.00 C +ATOM 22 CA PRO A 22 241.783 280.458 219.351 1.00 0.00 C +ATOM 23 CA GLU A 23 241.980 276.719 218.645 1.00 0.00 C +ATOM 24 CA ASP A 24 241.707 272.968 219.255 1.00 0.00 C +ATOM 25 CA ILE A 25 244.328 270.483 220.469 1.00 0.00 C +ATOM 26 CA THR A 26 248.012 271.165 219.780 1.00 0.00 C +ATOM 27 CA GLN A 27 249.893 273.917 221.626 1.00 0.00 C +ATOM 28 CA ARG A 28 250.693 273.497 225.327 1.00 0.00 C +ATOM 29 CA ASP A 29 250.069 270.591 227.711 1.00 0.00 C +ATOM 30 CA ARG A 30 248.909 268.149 230.396 1.00 0.00 C +ATOM 31 CA PRO A 31 250.669 265.281 232.183 1.00 0.00 C +ATOM 32 CA GLN A 32 250.910 261.811 233.737 1.00 0.00 C +ATOM 33 CA ARG A 33 250.731 259.385 236.669 1.00 0.00 C +ATOM 34 CA ALA A 34 251.157 256.848 239.479 1.00 0.00 C +ATOM 35 CA TYR A 35 250.536 255.053 242.783 1.00 0.00 C +ATOM 36 CA GLY A 36 248.781 251.852 243.874 1.00 0.00 C +ATOM 37 CA ASN A 37 246.373 249.524 245.688 1.00 0.00 C +ATOM 38 CA HIS A 38 246.183 247.221 248.717 1.00 0.00 C +ATOM 39 CA GLN A 39 247.595 248.320 252.081 1.00 0.00 C +ATOM 40 CA ARG A 40 248.135 251.825 253.473 1.00 0.00 C +ATOM 41 CA LEU A 41 245.356 253.122 255.732 1.00 0.00 C +ATOM 42 CA GLU A 42 245.096 250.619 258.593 1.00 0.00 C +ATOM 43 CA SER A 43 247.141 248.001 260.459 1.00 0.00 C +ATOM 44 CA HIS A 44 250.425 249.274 261.911 1.00 0.00 C +ATOM 45 CA GLN A 45 254.009 247.982 261.830 1.00 0.00 C +ATOM 46 CA LYS A 46 255.135 245.321 264.314 1.00 0.00 C +ATOM 47 CA VAL A 47 256.170 241.726 265.032 1.00 0.00 C +ATOM 48 CA GLN A 48 256.102 238.240 266.568 1.00 0.00 C +ATOM 49 CA THR A 49 253.524 235.594 265.634 1.00 0.00 C +ATOM 50 CA PRO A 50 251.972 232.143 266.080 1.00 0.00 C +ATOM 51 CA GLY A 51 249.585 230.051 263.973 1.00 0.00 C +ATOM 52 CA GLY A 52 246.871 228.644 261.699 1.00 0.00 C +ATOM 53 CA ASP A 53 243.416 228.518 260.098 1.00 0.00 C +ATOM 54 CA GLY A 54 241.481 229.228 256.894 1.00 0.00 C +ATOM 55 CA LYS A 55 239.250 232.138 255.860 1.00 0.00 C +ATOM 56 CA GLN A 56 236.077 234.000 256.851 1.00 0.00 C +ATOM 57 CA VAL A 57 233.086 233.830 254.497 1.00 0.00 C +ATOM 58 CA LYS A 58 230.942 236.356 252.614 1.00 0.00 C +ATOM 59 CA GLY A 59 230.021 236.891 248.956 1.00 0.00 C +ATOM 60 CA GLY A 60 229.931 239.668 246.349 1.00 0.00 C +ATOM 61 CA SER A 61 231.709 241.306 243.404 1.00 0.00 C +ATOM 62 CA SER A 62 235.218 242.766 243.139 1.00 0.00 C +ATOM 63 CA HIS A 63 238.921 241.881 242.997 1.00 0.00 C +ATOM 64 CA TYR A 64 242.074 244.019 243.052 1.00 0.00 C +ATOM 65 CA PRO A 65 245.261 242.223 244.117 1.00 0.00 C +ATOM 66 CA SER A 66 245.224 238.906 245.992 1.00 0.00 C +ATOM 67 CA TYR A 67 244.998 235.823 248.219 1.00 0.00 C +ATOM 68 CA ARG A 68 243.919 232.476 249.684 1.00 0.00 C +ATOM 69 CA ARG A 69 246.018 229.828 251.445 1.00 0.00 C +ATOM 70 CA THR A 70 248.825 230.034 254.013 1.00 0.00 C +ATOM 71 CA ALA A 71 250.535 227.239 255.956 1.00 0.00 C +ATOM 72 CA GLY A 72 250.566 223.675 254.610 1.00 0.00 C +ATOM 73 CA PRO A 73 247.269 222.022 255.566 1.00 0.00 C +ATOM 74 CA ASP A 74 247.517 220.026 258.802 1.00 0.00 C +ATOM 75 CA ARG A 75 248.478 222.267 261.730 1.00 0.00 C +ATOM 76 CA ALA A 76 252.252 222.201 262.250 1.00 0.00 C +ATOM 77 CA TYR A 77 255.321 221.204 260.225 1.00 0.00 C +ATOM 78 CA SER A 78 257.785 222.912 257.873 1.00 0.00 C +ATOM 79 CA ILE A 79 260.559 224.905 259.561 1.00 0.00 C +ATOM 80 CA PRO A 80 263.814 223.138 260.453 1.00 0.00 C +ATOM 81 CA SER A 81 266.320 224.601 262.923 1.00 0.00 C +ATOM 82 CA GLY A 82 269.178 226.475 264.606 1.00 0.00 C +ATOM 83 CA SER A 83 272.549 224.843 265.305 1.00 0.00 C +ATOM 84 CA GLN A 84 272.707 221.046 265.033 1.00 0.00 C +ATOM 85 CA ARG A 85 275.742 218.987 266.065 1.00 0.00 C +ATOM 86 CA ALA A 86 279.434 218.974 265.124 1.00 0.00 C +ATOM 87 CA GLY A 87 280.124 222.004 262.918 1.00 0.00 C +ATOM 88 CA LEU A 88 279.547 225.223 264.872 1.00 0.00 C +ATOM 89 CA ILE A 89 280.522 228.204 267.035 1.00 0.00 C +ATOM 90 CA SER A 90 279.486 227.567 270.646 1.00 0.00 C +ATOM 91 CA SER A 91 281.310 228.075 273.952 1.00 0.00 C +ATOM 92 CA PRO A 92 281.270 229.381 277.531 1.00 0.00 C +ATOM 93 CA VAL A 93 283.908 232.050 278.194 1.00 0.00 C +ATOM 94 CA ALA A 94 284.645 234.018 281.372 1.00 0.00 C +ATOM 95 CA SER A 95 287.741 236.099 282.144 1.00 0.00 C +TER 96 SER A 95 +END diff --git a/Fungi/A0A9Q3DNK9/A0A9Q3DNK9.dcd b/Fungi/A0A9Q3DNK9/A0A9Q3DNK9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..ee4ab110992cfc80e39676ebed1a8e9cfed36317 --- /dev/null +++ b/Fungi/A0A9Q3DNK9/A0A9Q3DNK9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:89e2d1e3d77e8a0a628fee13e9b6d22bf53a844a0d996264c8990610a7927641 +size 10160276 diff --git a/Fungi/A0A9Q3DNK9/top.pdb b/Fungi/A0A9Q3DNK9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4fa374cb4f83968ad278ea36ccfb354b30078e96 --- /dev/null +++ b/Fungi/A0A9Q3DNK9/top.pdb @@ -0,0 +1,82 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 210.541 238.153 208.979 1.00 0.00 C +ATOM 2 CA SER A 2 209.572 237.927 212.657 1.00 0.00 C +ATOM 3 CA ALA A 3 206.225 237.310 214.369 1.00 0.00 C +ATOM 4 CA PRO A 4 202.957 238.892 213.216 1.00 0.00 C +ATOM 5 CA LEU A 5 200.729 240.474 215.871 1.00 0.00 C +ATOM 6 CA ASN A 6 201.443 241.391 219.500 1.00 0.00 C +ATOM 7 CA PRO A 7 202.900 243.295 222.461 1.00 0.00 C +ATOM 8 CA GLU A 8 205.746 242.189 224.741 1.00 0.00 C +ATOM 9 CA ASP A 9 207.693 238.956 225.265 1.00 0.00 C +ATOM 10 CA SER A 10 209.151 238.302 228.723 1.00 0.00 C +ATOM 11 CA ARG A 11 212.800 238.682 229.751 1.00 0.00 C +ATOM 12 CA MET A 12 214.800 240.182 226.875 1.00 0.00 C +ATOM 13 CA MET A 13 218.333 240.926 228.091 1.00 0.00 C +ATOM 14 CA ALA A 14 221.318 238.760 227.135 1.00 0.00 C +ATOM 15 CA SER A 15 222.037 235.506 228.983 1.00 0.00 C +ATOM 16 CA PHE A 16 222.097 232.260 230.977 1.00 0.00 C +ATOM 17 CA PRO A 17 225.441 230.703 231.929 1.00 0.00 C +ATOM 18 CA VAL A 18 227.425 227.504 232.522 1.00 0.00 C +ATOM 19 CA ASP A 19 227.704 223.929 233.809 1.00 0.00 C +ATOM 20 CA GLU A 20 228.175 224.035 237.588 1.00 0.00 C +ATOM 21 CA GLY A 21 228.599 227.304 239.499 1.00 0.00 C +ATOM 22 CA ALA A 22 229.604 229.046 242.735 1.00 0.00 C +ATOM 23 CA SER A 23 231.916 229.052 245.763 1.00 0.00 C +ATOM 24 CA SER A 24 230.116 229.699 249.058 1.00 0.00 C +ATOM 25 CA ARG A 25 227.456 232.405 248.715 1.00 0.00 C +ATOM 26 CA TYR A 26 224.535 233.958 250.605 1.00 0.00 C +ATOM 27 CA SER A 27 223.969 236.030 253.752 1.00 0.00 C +ATOM 28 CA LYS A 28 226.511 236.979 256.427 1.00 0.00 C +ATOM 29 CA GLN A 29 226.681 240.748 256.960 1.00 0.00 C +ATOM 30 CA SER A 30 230.248 242.029 257.347 1.00 0.00 C +ATOM 31 CA ALA A 31 233.780 243.400 256.951 1.00 0.00 C +ATOM 32 CA GLN A 32 235.032 244.562 260.357 1.00 0.00 C +ATOM 33 CA PRO A 33 236.832 247.751 261.407 1.00 0.00 C +ATOM 34 CA ILE A 34 239.217 249.950 259.409 1.00 0.00 C +ATOM 35 CA GLY A 35 242.826 249.656 260.597 1.00 0.00 C +ATOM 36 CA PRO A 36 246.113 251.401 259.783 1.00 0.00 C +ATOM 37 CA SER A 37 247.713 253.888 262.186 1.00 0.00 C +ATOM 38 CA GLN A 38 249.595 254.108 265.491 1.00 0.00 C +ATOM 39 CA THR A 39 251.012 257.206 267.197 1.00 0.00 C +ATOM 40 CA LEU A 40 248.376 259.898 266.636 1.00 0.00 C +ATOM 41 CA TYR A 41 248.461 262.971 268.887 1.00 0.00 C +ATOM 42 CA ASN A 42 251.396 265.322 269.496 1.00 0.00 C +ATOM 43 CA PRO A 43 253.940 266.220 266.805 1.00 0.00 C +ATOM 44 CA TRP A 44 257.678 266.955 266.830 1.00 0.00 C +ATOM 45 CA TYR A 45 259.312 264.053 264.979 1.00 0.00 C +ATOM 46 CA LYS A 46 262.783 262.598 264.385 1.00 0.00 C +ATOM 47 CA GLY A 47 264.178 259.452 266.020 1.00 0.00 C +ATOM 48 CA GLU A 48 266.661 257.611 263.794 1.00 0.00 C +ATOM 49 CA LYS A 49 270.183 256.183 264.058 1.00 0.00 C +ATOM 50 CA ALA A 50 272.836 258.629 265.281 1.00 0.00 C +ATOM 51 CA SER A 51 274.699 260.089 262.295 1.00 0.00 C +ATOM 52 CA HIS A 52 278.159 261.679 262.403 1.00 0.00 C +ATOM 53 CA HIS A 53 280.690 263.339 264.717 1.00 0.00 C +ATOM 54 CA ASN A 54 281.585 261.050 267.628 1.00 0.00 C +ATOM 55 CA LYS A 55 279.105 260.336 270.431 1.00 0.00 C +ATOM 56 CA HIS A 56 278.235 261.364 273.995 1.00 0.00 C +ATOM 57 CA HIS A 57 276.814 264.885 274.318 1.00 0.00 C +ATOM 58 CA ASP A 58 275.153 268.257 273.696 1.00 0.00 C +ATOM 59 CA SER A 59 276.108 270.529 270.791 1.00 0.00 C +ATOM 60 CA LYS A 60 279.560 271.288 269.367 1.00 0.00 C +ATOM 61 CA SER A 61 280.207 272.934 265.993 1.00 0.00 C +ATOM 62 CA TYR A 62 279.068 272.466 262.388 1.00 0.00 C +ATOM 63 CA THR A 63 279.423 269.030 260.780 1.00 0.00 C +ATOM 64 CA SER A 64 278.608 268.594 257.084 1.00 0.00 C +ATOM 65 CA LYS A 65 281.130 269.057 254.266 1.00 0.00 C +ATOM 66 CA ASN A 66 283.140 268.626 251.058 1.00 0.00 C +ATOM 67 CA LYS A 67 284.656 265.133 250.942 1.00 0.00 C +ATOM 68 CA ASP A 68 285.192 263.622 254.398 1.00 0.00 C +ATOM 69 CA LEU A 69 285.128 260.059 255.746 1.00 0.00 C +ATOM 70 CA LYS A 70 286.925 256.788 254.981 1.00 0.00 C +ATOM 71 CA LEU A 71 285.013 254.542 252.568 1.00 0.00 C +ATOM 72 CA PRO A 72 286.783 253.657 249.313 1.00 0.00 C +ATOM 73 CA THR A 73 287.948 250.035 249.115 1.00 0.00 C +ATOM 74 CA SER A 74 289.853 246.737 249.020 1.00 0.00 C +ATOM 75 CA TYR A 75 288.313 244.176 246.656 1.00 0.00 C +ATOM 76 CA LYS A 76 287.415 246.063 243.471 1.00 0.00 C +ATOM 77 CA GLU A 77 288.300 248.597 240.766 1.00 0.00 C +ATOM 78 CA ASP A 78 288.140 248.629 236.960 1.00 0.00 C +TER 79 ASP A 78 +END diff --git a/Fungi/A0A9Q3E2M0/A0A9Q3E2M0.dcd b/Fungi/A0A9Q3E2M0/A0A9Q3E2M0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f7f7d4a63e28720a6ccc2d68536480144e91f1e4 --- /dev/null +++ b/Fungi/A0A9Q3E2M0/A0A9Q3E2M0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7364d03659629801092395d0f9f181115426b00c720a296c784c6ded8e2f3d61 +size 12440276 diff --git a/Fungi/A0A9Q3E2M0/top.pdb b/Fungi/A0A9Q3E2M0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c61d5b737b3daf24a7e4353f7cc00318e2121402 --- /dev/null +++ b/Fungi/A0A9Q3E2M0/top.pdb @@ -0,0 +1,101 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 278.230 279.715 226.014 1.00 0.00 C +ATOM 2 CA ALA A 2 278.714 276.672 223.773 1.00 0.00 C +ATOM 3 CA GLY A 3 279.220 275.191 220.299 1.00 0.00 C +ATOM 4 CA ASP A 4 278.619 271.937 218.410 1.00 0.00 C +ATOM 5 CA GLU A 5 276.363 272.892 215.492 1.00 0.00 C +ATOM 6 CA LEU A 6 278.016 273.003 212.061 1.00 0.00 C +ATOM 7 CA TYR A 7 279.882 274.885 209.324 1.00 0.00 C +ATOM 8 CA THR A 8 278.477 273.436 206.092 1.00 0.00 C +ATOM 9 CA SER A 9 277.514 269.899 205.054 1.00 0.00 C +ATOM 10 CA SER A 10 274.600 267.672 206.087 1.00 0.00 C +ATOM 11 CA PRO A 11 273.493 266.141 209.396 1.00 0.00 C +ATOM 12 CA LEU A 12 272.403 262.552 210.062 1.00 0.00 C +ATOM 13 CA VAL A 13 271.466 259.497 212.138 1.00 0.00 C +ATOM 14 CA HIS A 14 270.208 258.757 215.657 1.00 0.00 C +ATOM 15 CA ASN A 15 267.966 257.328 218.385 1.00 0.00 C +ATOM 16 CA GLU A 16 265.070 256.188 220.583 1.00 0.00 C +ATOM 17 CA ASN A 17 261.502 255.242 221.528 1.00 0.00 C +ATOM 18 CA VAL A 18 260.321 252.190 223.480 1.00 0.00 C +ATOM 19 CA THR A 19 257.883 252.129 226.407 1.00 0.00 C +ATOM 20 CA GLY A 20 257.408 254.264 229.526 1.00 0.00 C +ATOM 21 CA HIS A 21 257.275 251.883 232.497 1.00 0.00 C +ATOM 22 CA HIS A 22 255.895 252.525 235.990 1.00 0.00 C +ATOM 23 CA HIS A 23 255.009 256.199 236.476 1.00 0.00 C +ATOM 24 CA PRO A 24 257.848 257.690 238.533 1.00 0.00 C +ATOM 25 CA TYR A 25 256.861 261.254 239.450 1.00 0.00 C +ATOM 26 CA ALA A 26 254.918 264.434 238.660 1.00 0.00 C +ATOM 27 CA SER A 27 251.796 265.580 236.800 1.00 0.00 C +ATOM 28 CA LYS A 28 248.957 267.603 238.338 1.00 0.00 C +ATOM 29 CA PRO A 29 245.710 269.372 237.420 1.00 0.00 C +ATOM 30 CA ARG A 30 242.556 270.917 238.897 1.00 0.00 C +ATOM 31 CA MET A 31 242.911 272.638 242.277 1.00 0.00 C +ATOM 32 CA GLY A 32 245.584 271.401 244.694 1.00 0.00 C +ATOM 33 CA HIS A 33 248.802 269.667 245.768 1.00 0.00 C +ATOM 34 CA ALA A 34 249.262 265.916 245.286 1.00 0.00 C +ATOM 35 CA SER A 35 251.524 263.178 246.666 1.00 0.00 C +ATOM 36 CA SER A 36 250.095 260.117 248.429 1.00 0.00 C +ATOM 37 CA SER A 37 247.248 258.645 250.489 1.00 0.00 C +ATOM 38 CA ARG A 38 246.738 255.756 252.919 1.00 0.00 C +ATOM 39 CA GLU A 39 246.854 254.455 256.499 1.00 0.00 C +ATOM 40 CA LYS A 40 245.024 255.179 259.761 1.00 0.00 C +ATOM 41 CA ILE A 41 244.989 258.968 260.152 1.00 0.00 C +ATOM 42 CA VAL A 42 243.152 261.864 258.493 1.00 0.00 C +ATOM 43 CA ASP A 43 245.392 262.952 255.609 1.00 0.00 C +ATOM 44 CA ASP A 44 243.511 265.284 253.255 1.00 0.00 C +ATOM 45 CA GLU A 45 243.095 264.864 249.491 1.00 0.00 C +ATOM 46 CA ASP A 46 240.606 263.572 246.911 1.00 0.00 C +ATOM 47 CA GLU A 47 237.129 262.850 248.291 1.00 0.00 C +ATOM 48 CA ASN A 48 235.655 260.566 250.960 1.00 0.00 C +ATOM 49 CA VAL A 49 234.382 257.148 249.860 1.00 0.00 C +ATOM 50 CA SER A 50 235.636 254.507 252.304 1.00 0.00 C +ATOM 51 CA LEU A 51 237.842 251.440 252.796 1.00 0.00 C +ATOM 52 CA THR A 52 241.318 252.183 251.424 1.00 0.00 C +ATOM 53 CA GLN A 53 241.174 253.915 248.033 1.00 0.00 C +ATOM 54 CA SER A 54 238.968 251.748 245.808 1.00 0.00 C +ATOM 55 CA GLU A 55 240.242 248.164 246.037 1.00 0.00 C +ATOM 56 CA ARG A 56 238.116 245.002 246.078 1.00 0.00 C +ATOM 57 CA ASN A 57 239.419 242.314 248.443 1.00 0.00 C +ATOM 58 CA ASP A 58 242.726 240.880 247.207 1.00 0.00 C +ATOM 59 CA VAL A 59 244.010 238.593 249.971 1.00 0.00 C +ATOM 60 CA PRO A 60 244.874 239.142 253.641 1.00 0.00 C +ATOM 61 CA ARG A 61 243.299 241.164 256.460 1.00 0.00 C +ATOM 62 CA ARG A 62 239.601 240.249 256.507 1.00 0.00 C +ATOM 63 CA ASP A 63 237.436 238.259 254.084 1.00 0.00 C +ATOM 64 CA ASN A 64 234.095 237.261 255.617 1.00 0.00 C +ATOM 65 CA PHE A 65 230.657 236.472 257.059 1.00 0.00 C +ATOM 66 CA THR A 66 230.213 232.940 258.415 1.00 0.00 C +ATOM 67 CA ALA A 67 231.683 230.387 260.832 1.00 0.00 C +ATOM 68 CA HIS A 68 234.943 231.045 262.691 1.00 0.00 C +ATOM 69 CA GLU A 69 237.962 231.726 264.913 1.00 0.00 C +ATOM 70 CA GLN A 70 241.436 231.821 263.352 1.00 0.00 C +ATOM 71 CA GLY A 71 242.638 233.490 260.145 1.00 0.00 C +ATOM 72 CA THR A 72 245.664 235.660 259.335 1.00 0.00 C +ATOM 73 CA GLN A 73 248.745 237.676 260.315 1.00 0.00 C +ATOM 74 CA SER A 74 252.553 237.667 260.209 1.00 0.00 C +ATOM 75 CA ASN A 75 255.119 237.542 263.023 1.00 0.00 C +ATOM 76 CA SER A 76 257.722 239.120 265.314 1.00 0.00 C +ATOM 77 CA GLU A 77 260.554 241.668 265.217 1.00 0.00 C +ATOM 78 CA PHE A 78 261.680 242.965 268.617 1.00 0.00 C +ATOM 79 CA THR A 79 258.643 242.868 270.916 1.00 0.00 C +ATOM 80 CA HIS A 80 257.372 245.555 273.299 1.00 0.00 C +ATOM 81 CA PRO A 81 254.835 243.952 275.645 1.00 0.00 C +ATOM 82 CA GLN A 82 254.431 240.371 276.882 1.00 0.00 C +ATOM 83 CA MET A 83 253.038 238.174 279.666 1.00 0.00 C +ATOM 84 CA PRO A 84 251.707 235.033 281.363 1.00 0.00 C +ATOM 85 CA LEU A 85 249.118 232.863 279.602 1.00 0.00 C +ATOM 86 CA ALA A 86 245.441 232.405 280.490 1.00 0.00 C +ATOM 87 CA GLN A 87 244.519 228.939 279.204 1.00 0.00 C +ATOM 88 CA SER A 88 242.725 226.513 281.531 1.00 0.00 C +ATOM 89 CA LYS A 89 242.401 222.840 280.570 1.00 0.00 C +ATOM 90 CA LEU A 90 240.977 221.084 283.636 1.00 0.00 C +ATOM 91 CA ASP A 91 237.768 222.576 285.048 1.00 0.00 C +ATOM 92 CA GLN A 92 237.141 221.894 288.743 1.00 0.00 C +ATOM 93 CA SER A 93 233.583 222.282 290.051 1.00 0.00 C +ATOM 94 CA LYS A 94 230.239 223.283 288.525 1.00 0.00 C +ATOM 95 CA MET A 95 227.601 220.905 287.146 1.00 0.00 C +ATOM 96 CA ARG A 96 226.939 222.042 283.571 1.00 0.00 C +ATOM 97 CA LYS A 97 225.064 219.354 281.628 1.00 0.00 C +TER 98 LYS A 97 +END diff --git a/Fungi/A0A9Q3E3F4/A0A9Q3E3F4.dcd b/Fungi/A0A9Q3E3F4/A0A9Q3E3F4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e7523b17d408871881b39c56a628457c155a84b0 --- /dev/null +++ b/Fungi/A0A9Q3E3F4/A0A9Q3E3F4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0ee657d3c7b1d0a4b310d4f7e43de3861a3946cd8710180062e7c5b5e06f635b +size 12920276 diff --git a/Fungi/A0A9Q3E3F4/top.pdb b/Fungi/A0A9Q3E3F4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..014d22f79c1d571caec7455d7b6c68027e00eda5 --- /dev/null +++ b/Fungi/A0A9Q3E3F4/top.pdb @@ -0,0 +1,105 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 263.625 202.946 238.304 1.00 0.00 C +ATOM 2 CA TYR A 2 265.836 204.041 241.207 1.00 0.00 C +ATOM 3 CA GLY A 3 265.386 207.693 242.196 1.00 0.00 C +ATOM 4 CA LYS A 4 262.566 208.473 244.637 1.00 0.00 C +ATOM 5 CA ASP A 5 262.818 211.214 247.270 1.00 0.00 C +ATOM 6 CA GLU A 6 259.616 212.151 249.111 1.00 0.00 C +ATOM 7 CA ASP A 7 258.315 208.879 250.568 1.00 0.00 C +ATOM 8 CA GLU A 8 259.057 208.447 254.280 1.00 0.00 C +ATOM 9 CA VAL A 9 256.234 208.663 256.829 1.00 0.00 C +ATOM 10 CA ASP A 10 254.548 206.020 258.995 1.00 0.00 C +ATOM 11 CA GLU A 11 256.325 204.216 261.841 1.00 0.00 C +ATOM 12 CA GLU A 12 256.961 200.751 263.293 1.00 0.00 C +ATOM 13 CA GLY A 13 257.282 199.897 266.992 1.00 0.00 C +ATOM 14 CA ASN A 14 260.015 200.366 269.605 1.00 0.00 C +ATOM 15 CA LEU A 15 262.304 201.528 272.420 1.00 0.00 C +ATOM 16 CA ASP A 16 265.498 203.581 272.097 1.00 0.00 C +ATOM 17 CA VAL A 17 268.920 204.541 270.725 1.00 0.00 C +ATOM 18 CA HIS A 18 268.884 207.109 267.911 1.00 0.00 C +ATOM 19 CA ASN A 19 269.125 210.509 269.615 1.00 0.00 C +ATOM 20 CA ASN A 20 267.148 212.974 267.487 1.00 0.00 C +ATOM 21 CA LEU A 21 265.750 214.802 264.450 1.00 0.00 C +ATOM 22 CA SER A 22 264.737 214.510 260.789 1.00 0.00 C +ATOM 23 CA GLN A 23 264.147 213.551 257.149 1.00 0.00 C +ATOM 24 CA CYS A 24 261.912 214.576 254.239 1.00 0.00 C +ATOM 25 CA GLY A 25 258.359 215.904 253.883 1.00 0.00 C +ATOM 26 CA SER A 26 254.892 214.701 254.908 1.00 0.00 C +ATOM 27 CA ASP A 27 252.933 216.220 257.802 1.00 0.00 C +ATOM 28 CA THR A 28 251.924 218.291 260.837 1.00 0.00 C +ATOM 29 CA ASN A 29 248.262 217.391 261.384 1.00 0.00 C +ATOM 30 CA ASP A 30 244.547 217.177 262.203 1.00 0.00 C +ATOM 31 CA ASN A 31 241.140 218.073 260.753 1.00 0.00 C +ATOM 32 CA GLY A 32 238.130 220.400 260.961 1.00 0.00 C +ATOM 33 CA THR A 33 236.963 223.801 262.218 1.00 0.00 C +ATOM 34 CA VAL A 34 237.509 227.240 263.765 1.00 0.00 C +ATOM 35 CA THR A 35 239.099 230.096 261.807 1.00 0.00 C +ATOM 36 CA ALA A 36 242.504 231.316 263.003 1.00 0.00 C +ATOM 37 CA LYS A 37 243.402 234.206 260.688 1.00 0.00 C +ATOM 38 CA ALA A 38 245.041 237.595 260.102 1.00 0.00 C +ATOM 39 CA LYS A 39 242.649 240.108 258.528 1.00 0.00 C +ATOM 40 CA GLU A 40 243.766 243.664 259.314 1.00 0.00 C +ATOM 41 CA PRO A 41 247.202 245.306 259.441 1.00 0.00 C +ATOM 42 CA THR A 42 249.383 248.147 260.739 1.00 0.00 C +ATOM 43 CA GLY A 43 248.673 251.600 259.294 1.00 0.00 C +ATOM 44 CA THR A 44 250.581 253.646 256.708 1.00 0.00 C +ATOM 45 CA ARG A 45 248.994 253.770 253.246 1.00 0.00 C +ATOM 46 CA SER A 46 245.480 253.701 251.775 1.00 0.00 C +ATOM 47 CA GLU A 47 243.927 251.620 248.987 1.00 0.00 C +ATOM 48 CA ALA A 48 242.049 253.608 246.334 1.00 0.00 C +ATOM 49 CA GLN A 49 240.056 256.525 247.761 1.00 0.00 C +ATOM 50 CA LYS A 50 240.103 259.955 249.418 1.00 0.00 C +ATOM 51 CA ARG A 51 241.703 262.889 247.588 1.00 0.00 C +ATOM 52 CA CYS A 52 242.420 266.282 246.010 1.00 0.00 C +ATOM 53 CA HIS A 53 239.910 268.708 244.483 1.00 0.00 C +ATOM 54 CA HIS A 54 241.084 272.313 244.864 1.00 0.00 C +ATOM 55 CA SER A 55 239.552 275.205 246.814 1.00 0.00 C +ATOM 56 CA ASP A 56 237.394 277.171 244.366 1.00 0.00 C +ATOM 57 CA ASP A 57 236.568 280.099 242.073 1.00 0.00 C +ATOM 58 CA SER A 58 237.527 281.638 238.722 1.00 0.00 C +ATOM 59 CA ASP A 59 234.364 281.791 236.603 1.00 0.00 C +ATOM 60 CA GLU A 60 233.753 278.775 234.357 1.00 0.00 C +ATOM 61 CA ASN A 61 234.175 278.120 230.628 1.00 0.00 C +ATOM 62 CA SER A 62 237.668 277.265 229.367 1.00 0.00 C +ATOM 63 CA GLU A 63 241.283 278.186 228.593 1.00 0.00 C +ATOM 64 CA LEU A 64 244.521 280.152 228.999 1.00 0.00 C +ATOM 65 CA ASP A 65 244.607 281.113 232.685 1.00 0.00 C +ATOM 66 CA ASN A 66 245.777 279.708 236.028 1.00 0.00 C +ATOM 67 CA ARG A 67 246.524 278.560 239.583 1.00 0.00 C +ATOM 68 CA ASN A 68 247.638 275.491 241.546 1.00 0.00 C +ATOM 69 CA GLU A 69 246.200 272.040 240.808 1.00 0.00 C +ATOM 70 CA GLY A 70 248.056 268.859 239.833 1.00 0.00 C +ATOM 71 CA GLY A 71 250.087 269.133 236.622 1.00 0.00 C +ATOM 72 CA HIS A 72 252.162 270.767 233.876 1.00 0.00 C +ATOM 73 CA ILE A 73 251.338 274.475 234.163 1.00 0.00 C +ATOM 74 CA GLN A 74 250.555 275.541 230.590 1.00 0.00 C +ATOM 75 CA PRO A 75 253.519 276.880 228.606 1.00 0.00 C +ATOM 76 CA HIS A 76 255.902 279.177 230.495 1.00 0.00 C +ATOM 77 CA LEU A 77 257.633 282.549 230.882 1.00 0.00 C +ATOM 78 CA SER A 78 258.095 283.963 234.390 1.00 0.00 C +ATOM 79 CA SER A 79 254.584 284.414 235.798 1.00 0.00 C +ATOM 80 CA SER A 80 253.744 286.678 238.745 1.00 0.00 C +ATOM 81 CA LYS A 81 256.951 287.256 240.720 1.00 0.00 C +ATOM 82 CA LYS A 82 259.958 284.917 240.684 1.00 0.00 C +ATOM 83 CA ASN A 83 262.915 284.607 243.066 1.00 0.00 C +ATOM 84 CA PRO A 84 261.897 286.470 246.230 1.00 0.00 C +ATOM 85 CA LYS A 85 258.495 285.676 247.750 1.00 0.00 C +ATOM 86 CA GLY A 86 255.471 283.393 247.340 1.00 0.00 C +ATOM 87 CA ASN A 87 252.592 280.931 247.745 1.00 0.00 C +ATOM 88 CA SER A 88 251.645 277.802 245.789 1.00 0.00 C +ATOM 89 CA GLU A 89 248.938 275.708 247.464 1.00 0.00 C +ATOM 90 CA LYS A 90 248.140 276.502 251.104 1.00 0.00 C +ATOM 91 CA ARG A 91 251.144 275.440 253.194 1.00 0.00 C +ATOM 92 CA LEU A 92 252.949 272.118 253.661 1.00 0.00 C +ATOM 93 CA ARG A 93 251.433 269.660 251.177 1.00 0.00 C +ATOM 94 CA PRO A 94 248.012 269.918 249.518 1.00 0.00 C +ATOM 95 CA ASN A 95 244.490 271.260 250.072 1.00 0.00 C +ATOM 96 CA GLU A 96 241.574 272.662 252.084 1.00 0.00 C +ATOM 97 CA VAL A 97 238.272 273.382 253.844 1.00 0.00 C +ATOM 98 CA ILE A 98 234.762 272.896 255.242 1.00 0.00 C +ATOM 99 CA ILE A 99 232.225 275.540 254.198 1.00 0.00 C +ATOM 100 CA SER A 100 231.482 278.735 256.137 1.00 0.00 C +ATOM 101 CA ASP A 101 233.737 281.684 256.993 1.00 0.00 C +TER 102 ASP A 101 +END diff --git a/Fungi/A0A9Q3EV12/A0A9Q3EV12.dcd b/Fungi/A0A9Q3EV12/A0A9Q3EV12.dcd new file mode 100644 index 0000000000000000000000000000000000000000..5d0872aacfe6abb39b913faaec410ee9ed153d3c --- /dev/null +++ b/Fungi/A0A9Q3EV12/A0A9Q3EV12.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:aa4a4e0b4a78ea2234071fefe75215a99d837bba02c7048549df12ba95c3b699 +size 12440276 diff --git a/Fungi/A0A9Q3EV12/top.pdb b/Fungi/A0A9Q3EV12/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7789f5b640bfe764651296a32f31132499c1c882 --- /dev/null +++ b/Fungi/A0A9Q3EV12/top.pdb @@ -0,0 +1,101 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 293.449 246.822 224.671 1.00 0.00 C +ATOM 2 CA GLU A 2 292.255 249.481 227.124 1.00 0.00 C +ATOM 3 CA GLN A 3 289.018 251.312 227.953 1.00 0.00 C +ATOM 4 CA GLN A 4 286.095 249.216 226.694 1.00 0.00 C +ATOM 5 CA SER A 5 283.486 246.496 226.138 1.00 0.00 C +ATOM 6 CA SER A 6 285.093 243.156 225.257 1.00 0.00 C +ATOM 7 CA SER A 7 287.798 241.409 223.221 1.00 0.00 C +ATOM 8 CA ASN A 8 286.772 238.115 221.604 1.00 0.00 C +ATOM 9 CA LEU A 9 284.144 235.777 220.141 1.00 0.00 C +ATOM 10 CA PRO A 10 281.774 237.664 217.831 1.00 0.00 C +ATOM 11 CA PRO A 11 280.210 241.116 217.434 1.00 0.00 C +ATOM 12 CA LEU A 12 277.100 243.220 218.081 1.00 0.00 C +ATOM 13 CA HIS A 13 275.087 246.402 217.499 1.00 0.00 C +ATOM 14 CA GLU A 14 274.191 248.684 220.415 1.00 0.00 C +ATOM 15 CA ASP A 15 273.996 248.596 224.219 1.00 0.00 C +ATOM 16 CA THR A 16 272.553 249.621 227.593 1.00 0.00 C +ATOM 17 CA VAL A 17 271.093 251.088 230.791 1.00 0.00 C +ATOM 18 CA GLU A 18 267.466 250.234 231.587 1.00 0.00 C +ATOM 19 CA GLU A 19 265.049 253.118 230.987 1.00 0.00 C +ATOM 20 CA GLN A 20 264.092 253.190 227.300 1.00 0.00 C +ATOM 21 CA TYR A 21 262.796 250.187 225.344 1.00 0.00 C +ATOM 22 CA ALA A 22 261.583 247.107 223.458 1.00 0.00 C +ATOM 23 CA GLU A 23 259.464 245.011 225.831 1.00 0.00 C +ATOM 24 CA GLU A 24 259.129 243.521 229.322 1.00 0.00 C +ATOM 25 CA SER A 25 260.085 240.920 231.937 1.00 0.00 C +ATOM 26 CA GLU A 26 262.544 242.289 234.505 1.00 0.00 C +ATOM 27 CA GLU A 27 264.257 243.838 237.536 1.00 0.00 C +ATOM 28 CA GLU A 28 265.899 247.232 238.083 1.00 0.00 C +ATOM 29 CA ASP A 29 263.834 250.150 239.401 1.00 0.00 C +ATOM 30 CA LYS A 30 262.211 249.153 242.701 1.00 0.00 C +ATOM 31 CA THR A 31 262.673 250.845 246.083 1.00 0.00 C +ATOM 32 CA GLU A 32 260.803 252.781 248.779 1.00 0.00 C +ATOM 33 CA THR A 33 259.475 256.094 247.446 1.00 0.00 C +ATOM 34 CA ILE A 34 257.751 258.941 245.591 1.00 0.00 C +ATOM 35 CA GLN A 35 256.166 261.917 247.364 1.00 0.00 C +ATOM 36 CA SER A 36 253.009 262.659 249.365 1.00 0.00 C +ATOM 37 CA LEU A 37 249.385 263.804 249.639 1.00 0.00 C +ATOM 38 CA MET A 38 246.016 263.416 247.903 1.00 0.00 C +ATOM 39 CA LYS A 39 245.175 262.242 244.377 1.00 0.00 C +ATOM 40 CA GLN A 40 246.041 259.500 241.877 1.00 0.00 C +ATOM 41 CA MET A 41 249.214 257.651 240.864 1.00 0.00 C +ATOM 42 CA GLN A 42 250.091 253.994 241.476 1.00 0.00 C +ATOM 43 CA ASP A 43 247.549 251.920 239.539 1.00 0.00 C +ATOM 44 CA LEU A 44 246.662 253.194 236.060 1.00 0.00 C +ATOM 45 CA LEU A 45 247.597 252.178 232.509 1.00 0.00 C +ATOM 46 CA LEU A 46 249.965 254.195 230.309 1.00 0.00 C +ATOM 47 CA THR A 47 250.806 257.737 231.434 1.00 0.00 C +ATOM 48 CA GLN A 48 250.186 261.483 231.742 1.00 0.00 C +ATOM 49 CA GLU A 49 248.048 263.037 234.486 1.00 0.00 C +ATOM 50 CA LYS A 50 245.415 264.810 236.593 1.00 0.00 C +ATOM 51 CA LYS A 51 241.803 265.666 237.452 1.00 0.00 C +ATOM 52 CA LYS A 52 239.895 265.621 240.749 1.00 0.00 C +ATOM 53 CA GLY A 53 237.938 268.248 242.696 1.00 0.00 C +ATOM 54 CA LYS A 54 238.896 270.765 245.390 1.00 0.00 C +ATOM 55 CA ARG A 55 241.162 270.113 248.383 1.00 0.00 C +ATOM 56 CA ARG A 56 241.791 267.121 250.656 1.00 0.00 C +ATOM 57 CA GLN A 57 242.339 268.438 254.189 1.00 0.00 C +ATOM 58 CA SER A 58 241.752 269.553 257.785 1.00 0.00 C +ATOM 59 CA THR A 59 239.488 268.567 260.686 1.00 0.00 C +ATOM 60 CA SER A 60 239.732 266.026 263.515 1.00 0.00 C +ATOM 61 CA PHE A 61 236.893 263.494 263.725 1.00 0.00 C +ATOM 62 CA THR A 62 235.367 262.000 260.570 1.00 0.00 C +ATOM 63 CA PRO A 63 236.615 258.583 259.437 1.00 0.00 C +ATOM 64 CA GLY A 64 237.106 254.887 260.222 1.00 0.00 C +ATOM 65 CA ALA A 65 235.483 254.024 263.559 1.00 0.00 C +ATOM 66 CA SER A 66 234.085 250.797 265.025 1.00 0.00 C +ATOM 67 CA SER A 67 235.527 247.805 263.159 1.00 0.00 C +ATOM 68 CA SER A 68 238.947 246.604 264.333 1.00 0.00 C +ATOM 69 CA GLU A 69 242.182 246.366 266.331 1.00 0.00 C +ATOM 70 CA PRO A 70 241.473 244.533 269.595 1.00 0.00 C +ATOM 71 CA THR A 71 238.341 242.413 270.056 1.00 0.00 C +ATOM 72 CA LEU A 72 234.557 242.718 270.372 1.00 0.00 C +ATOM 73 CA PRO A 73 232.320 239.648 270.071 1.00 0.00 C +ATOM 74 CA ARG A 74 228.786 240.245 271.364 1.00 0.00 C +ATOM 75 CA HIS A 75 226.089 241.745 269.130 1.00 0.00 C +ATOM 76 CA LEU A 76 222.597 241.426 267.639 1.00 0.00 C +ATOM 77 CA ARG A 77 219.665 239.166 268.537 1.00 0.00 C +ATOM 78 CA PRO A 78 218.193 239.040 272.049 1.00 0.00 C +ATOM 79 CA GLU A 79 219.709 236.112 273.958 1.00 0.00 C +ATOM 80 CA GLU A 80 221.596 237.137 277.106 1.00 0.00 C +ATOM 81 CA SER A 81 225.389 237.482 277.206 1.00 0.00 C +ATOM 82 CA PRO A 82 227.811 235.199 275.353 1.00 0.00 C +ATOM 83 CA SER A 83 230.652 232.693 274.948 1.00 0.00 C +ATOM 84 CA SER A 84 234.273 232.393 276.096 1.00 0.00 C +ATOM 85 CA PRO A 85 237.651 234.126 276.413 1.00 0.00 C +ATOM 86 CA THR A 86 241.301 235.152 276.035 1.00 0.00 C +ATOM 87 CA PRO A 87 244.616 236.445 277.396 1.00 0.00 C +ATOM 88 CA GLY A 88 245.292 238.580 280.478 1.00 0.00 C +ATOM 89 CA PRO A 89 243.484 239.673 283.649 1.00 0.00 C +ATOM 90 CA ARG A 90 239.803 238.767 284.033 1.00 0.00 C +ATOM 91 CA ALA A 91 237.187 241.205 285.350 1.00 0.00 C +ATOM 92 CA THR A 92 233.705 242.464 284.452 1.00 0.00 C +ATOM 93 CA SER A 93 232.195 245.718 283.169 1.00 0.00 C +ATOM 94 CA THR A 94 228.845 247.380 282.440 1.00 0.00 C +ATOM 95 CA PRO A 95 225.776 249.589 281.976 1.00 0.00 C +ATOM 96 CA GLU A 96 223.778 252.712 281.096 1.00 0.00 C +ATOM 97 CA ILE A 97 223.365 255.040 284.084 1.00 0.00 C +TER 98 ILE A 97 +END diff --git a/Fungi/A0A9Q3EWC4/A0A9Q3EWC4.dcd b/Fungi/A0A9Q3EWC4/A0A9Q3EWC4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e06309f375f2e78d12a6eb3726ee7a9533a0ece2 --- /dev/null +++ b/Fungi/A0A9Q3EWC4/A0A9Q3EWC4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8af5359168e95c89bc1571e8c3519825324d8e3801c90a3f8febed2485c0ba41 +size 15080276 diff --git a/Fungi/A0A9Q3EWC4/top.pdb b/Fungi/A0A9Q3EWC4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..23abc4e728b20f5f24e553ea74951f9d6c71f904 --- /dev/null +++ b/Fungi/A0A9Q3EWC4/top.pdb @@ -0,0 +1,123 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 236.315 242.376 193.779 1.00 0.00 C +ATOM 2 CA PRO A 2 235.056 242.132 190.192 1.00 0.00 C +ATOM 3 CA VAL A 3 236.172 244.429 187.364 1.00 0.00 C +ATOM 4 CA GLN A 4 239.264 243.847 185.214 1.00 0.00 C +ATOM 5 CA GLN A 5 240.996 240.768 186.641 1.00 0.00 C +ATOM 6 CA SER A 6 240.341 237.020 186.443 1.00 0.00 C +ATOM 7 CA PRO A 7 241.725 234.587 189.028 1.00 0.00 C +ATOM 8 CA PRO A 8 243.915 236.338 191.608 1.00 0.00 C +ATOM 9 CA ALA A 9 244.592 236.855 195.321 1.00 0.00 C +ATOM 10 CA ARG A 10 245.768 237.509 198.886 1.00 0.00 C +ATOM 11 CA GLN A 11 246.525 241.141 199.755 1.00 0.00 C +ATOM 12 CA THR A 12 245.132 244.256 201.449 1.00 0.00 C +ATOM 13 CA ARG A 13 247.265 246.458 203.712 1.00 0.00 C +ATOM 14 CA SER A 14 246.037 247.792 207.063 1.00 0.00 C +ATOM 15 CA GLN A 15 244.073 250.406 209.018 1.00 0.00 C +ATOM 16 CA ASN A 16 240.428 251.433 209.439 1.00 0.00 C +ATOM 17 CA ARG A 17 239.656 250.890 213.131 1.00 0.00 C +ATOM 18 CA ALA A 18 239.735 248.991 216.433 1.00 0.00 C +ATOM 19 CA GLN A 19 239.243 249.548 220.169 1.00 0.00 C +ATOM 20 CA ALA A 20 242.048 250.814 222.415 1.00 0.00 C +ATOM 21 CA VAL A 21 241.940 254.299 223.950 1.00 0.00 C +ATOM 22 CA LEU A 22 241.183 255.890 227.328 1.00 0.00 C +ATOM 23 CA THR A 23 238.698 253.552 229.025 1.00 0.00 C +ATOM 24 CA ALA A 24 237.147 255.328 232.018 1.00 0.00 C +ATOM 25 CA THR A 25 233.718 255.999 233.538 1.00 0.00 C +ATOM 26 CA PRO A 26 232.174 258.748 235.678 1.00 0.00 C +ATOM 27 CA ARG A 27 230.206 260.466 238.451 1.00 0.00 C +ATOM 28 CA VAL A 28 227.010 262.109 237.188 1.00 0.00 C +ATOM 29 CA PRO A 29 223.414 260.864 237.380 1.00 0.00 C +ATOM 30 CA LEU A 30 223.146 258.496 240.353 1.00 0.00 C +ATOM 31 CA ASP A 31 222.631 256.760 243.705 1.00 0.00 C +ATOM 32 CA GLY A 32 222.604 254.481 246.758 1.00 0.00 C +ATOM 33 CA THR A 33 223.397 250.846 245.935 1.00 0.00 C +ATOM 34 CA PRO A 34 226.454 248.614 245.495 1.00 0.00 C +ATOM 35 CA GLU A 35 228.619 248.928 242.376 1.00 0.00 C +ATOM 36 CA VAL A 36 230.509 246.812 239.833 1.00 0.00 C +ATOM 37 CA PRO A 37 233.775 248.332 238.592 1.00 0.00 C +ATOM 38 CA GLN A 38 234.542 248.018 234.874 1.00 0.00 C +ATOM 39 CA LEU A 39 233.823 247.832 231.137 1.00 0.00 C +ATOM 40 CA ARG A 40 232.638 244.305 230.316 1.00 0.00 C +ATOM 41 CA ALA A 41 229.171 242.762 229.978 1.00 0.00 C +ATOM 42 CA HIS A 42 228.919 240.036 232.628 1.00 0.00 C +ATOM 43 CA LEU A 43 225.377 238.760 233.211 1.00 0.00 C +ATOM 44 CA ASP A 44 225.459 235.737 235.528 1.00 0.00 C +ATOM 45 CA ARG A 45 228.250 236.311 238.057 1.00 0.00 C +ATOM 46 CA GLY A 46 227.124 237.702 241.421 1.00 0.00 C +ATOM 47 CA PRO A 47 229.230 238.182 244.559 1.00 0.00 C +ATOM 48 CA PHE A 48 232.383 240.257 245.082 1.00 0.00 C +ATOM 49 CA MET A 49 234.648 243.306 245.375 1.00 0.00 C +ATOM 50 CA GLU A 50 233.878 245.770 248.176 1.00 0.00 C +ATOM 51 CA GLY A 51 231.942 244.707 251.280 1.00 0.00 C +ATOM 52 CA ALA A 52 229.214 242.815 253.149 1.00 0.00 C +ATOM 53 CA GLU A 53 229.738 239.656 255.214 1.00 0.00 C +ATOM 54 CA PRO A 54 232.662 237.217 255.095 1.00 0.00 C +ATOM 55 CA SER A 55 235.399 237.949 257.643 1.00 0.00 C +ATOM 56 CA ILE A 56 237.320 235.088 259.268 1.00 0.00 C +ATOM 57 CA GLN A 57 238.985 234.922 262.690 1.00 0.00 C +ATOM 58 CA GLU A 58 239.882 233.430 266.080 1.00 0.00 C +ATOM 59 CA GLU A 59 242.959 232.136 267.918 1.00 0.00 C +ATOM 60 CA ARG A 60 244.101 231.718 271.528 1.00 0.00 C +ATOM 61 CA GLY A 61 247.084 233.732 272.776 1.00 0.00 C +ATOM 62 CA PRO A 62 250.799 234.539 272.512 1.00 0.00 C +ATOM 63 CA ARG A 63 252.209 236.105 269.338 1.00 0.00 C +ATOM 64 CA ARG A 64 253.795 239.408 270.381 1.00 0.00 C +ATOM 65 CA SER A 65 254.348 241.857 267.516 1.00 0.00 C +ATOM 66 CA SER A 66 255.337 245.103 269.248 1.00 0.00 C +ATOM 67 CA SER A 67 252.361 245.912 271.486 1.00 0.00 C +ATOM 68 CA PHE A 68 250.539 246.973 274.659 1.00 0.00 C +ATOM 69 CA SER A 69 247.466 245.501 276.364 1.00 0.00 C +ATOM 70 CA GLY A 70 244.036 247.150 276.549 1.00 0.00 C +ATOM 71 CA VAL A 71 243.396 250.518 278.210 1.00 0.00 C +ATOM 72 CA VAL A 72 245.446 253.448 276.895 1.00 0.00 C +ATOM 73 CA GLY A 73 243.283 256.429 275.918 1.00 0.00 C +ATOM 74 CA THR A 74 244.848 259.682 274.699 1.00 0.00 C +ATOM 75 CA PHE A 75 247.422 261.955 276.349 1.00 0.00 C +ATOM 76 CA PRO A 76 246.073 262.990 279.758 1.00 0.00 C +ATOM 77 CA GLY A 77 243.182 262.025 282.044 1.00 0.00 C +ATOM 78 CA ILE A 78 242.307 259.266 284.522 1.00 0.00 C +ATOM 79 CA SER A 79 244.405 259.011 287.691 1.00 0.00 C +ATOM 80 CA ARG A 80 246.648 255.938 287.914 1.00 0.00 C +ATOM 81 CA THR A 81 248.773 253.934 290.360 1.00 0.00 C +ATOM 82 CA THR A 82 251.836 251.956 289.254 1.00 0.00 C +ATOM 83 CA VAL A 83 255.104 250.569 287.871 1.00 0.00 C +ATOM 84 CA ASN A 84 257.567 253.367 287.082 1.00 0.00 C +ATOM 85 CA VAL A 85 261.330 253.953 287.163 1.00 0.00 C +ATOM 86 CA PRO A 86 265.071 254.069 287.875 1.00 0.00 C +ATOM 87 CA GLY A 87 266.272 257.311 286.274 1.00 0.00 C +ATOM 88 CA GLU A 88 264.423 257.587 282.954 1.00 0.00 C +ATOM 89 CA ASP A 89 263.713 256.728 279.311 1.00 0.00 C +ATOM 90 CA TYR A 90 263.187 254.665 276.152 1.00 0.00 C +ATOM 91 CA ALA A 91 262.567 251.298 274.478 1.00 0.00 C +ATOM 92 CA GLU A 92 261.464 250.829 270.861 1.00 0.00 C +ATOM 93 CA GLU A 93 262.249 251.576 267.209 1.00 0.00 C +ATOM 94 CA GLU A 94 262.063 253.178 263.757 1.00 0.00 C +ATOM 95 CA GLU A 95 264.983 255.591 263.346 1.00 0.00 C +ATOM 96 CA ASN A 96 268.624 255.074 262.348 1.00 0.00 C +ATOM 97 CA SER A 97 270.969 257.450 260.512 1.00 0.00 C +ATOM 98 CA VAL A 98 270.223 260.725 258.715 1.00 0.00 C +ATOM 99 CA GLU A 99 272.171 263.813 259.804 1.00 0.00 C +ATOM 100 CA GLU A 100 269.825 266.532 261.077 1.00 0.00 C +ATOM 101 CA GLU A 101 271.127 269.271 263.384 1.00 0.00 C +ATOM 102 CA ASP A 102 274.475 270.836 262.461 1.00 0.00 C +ATOM 103 CA SER A 103 276.978 267.974 262.214 1.00 0.00 C +ATOM 104 CA GLU A 104 280.109 265.952 263.005 1.00 0.00 C +ATOM 105 CA SER A 105 280.021 263.906 266.219 1.00 0.00 C +ATOM 106 CA THR A 106 281.217 260.352 265.546 1.00 0.00 C +ATOM 107 CA GLU A 107 279.538 256.958 265.123 1.00 0.00 C +ATOM 108 CA ALA A 108 276.756 256.115 262.661 1.00 0.00 C +ATOM 109 CA SER A 109 277.412 257.572 259.203 1.00 0.00 C +ATOM 110 CA PRO A 110 279.875 259.598 257.118 1.00 0.00 C +ATOM 111 CA THR A 111 283.612 259.824 257.822 1.00 0.00 C +ATOM 112 CA PRO A 112 286.517 258.011 259.494 1.00 0.00 C +ATOM 113 CA VAL A 113 289.049 257.362 262.266 1.00 0.00 C +ATOM 114 CA GLY A 114 291.116 256.300 265.285 1.00 0.00 C +ATOM 115 CA GLU A 115 293.980 253.883 264.596 1.00 0.00 C +ATOM 116 CA SER A 116 297.117 255.695 265.774 1.00 0.00 C +ATOM 117 CA GLN A 117 299.749 253.044 266.521 1.00 0.00 C +ATOM 118 CA ASP A 118 300.911 251.452 263.260 1.00 0.00 C +ATOM 119 CA THR A 119 304.488 251.413 261.949 1.00 0.00 C +TER 120 THR A 119 +END diff --git a/Fungi/A0A9Q3F144/A0A9Q3F144.dcd b/Fungi/A0A9Q3F144/A0A9Q3F144.dcd new file mode 100644 index 0000000000000000000000000000000000000000..0e25cf4f1d372d842626e4d7c58c805431c2eb1c --- /dev/null +++ b/Fungi/A0A9Q3F144/A0A9Q3F144.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:da38a64d1e2244197f290a6188b7d3f81ae24049fb6855f1458545196ce97841 +size 11480276 diff --git a/Fungi/A0A9Q3F144/top.pdb b/Fungi/A0A9Q3F144/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b81490492235e23f1b6c5ee1830773b81377b932 --- /dev/null +++ b/Fungi/A0A9Q3F144/top.pdb @@ -0,0 +1,93 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 253.014 216.162 277.709 1.00 0.00 C +ATOM 2 CA GLY A 2 255.232 213.070 277.897 1.00 0.00 C +ATOM 3 CA PHE A 3 255.660 211.999 274.266 1.00 0.00 C +ATOM 4 CA LYS A 4 255.373 212.590 270.513 1.00 0.00 C +ATOM 5 CA ARG A 5 256.225 215.933 268.896 1.00 0.00 C +ATOM 6 CA GLN A 6 257.696 216.574 265.441 1.00 0.00 C +ATOM 7 CA LYS A 7 259.087 214.398 262.639 1.00 0.00 C +ATOM 8 CA GLN A 8 262.035 212.968 260.695 1.00 0.00 C +ATOM 9 CA ASN A 9 262.975 215.360 257.883 1.00 0.00 C +ATOM 10 CA PRO A 10 262.809 218.476 255.697 1.00 0.00 C +ATOM 11 CA PRO A 11 259.872 220.115 253.908 1.00 0.00 C +ATOM 12 CA ARG A 12 259.578 221.876 250.542 1.00 0.00 C +ATOM 13 CA PRO A 13 255.971 222.085 249.333 1.00 0.00 C +ATOM 14 CA PRO A 14 254.108 225.400 249.573 1.00 0.00 C +ATOM 15 CA GLN A 15 253.658 229.156 250.027 1.00 0.00 C +ATOM 16 CA GLN A 16 251.609 231.677 252.017 1.00 0.00 C +ATOM 17 CA ASP A 17 250.066 235.127 252.500 1.00 0.00 C +ATOM 18 CA SER A 18 249.671 237.121 249.278 1.00 0.00 C +ATOM 19 CA PRO A 19 251.038 240.452 248.033 1.00 0.00 C +ATOM 20 CA ILE A 20 254.421 242.197 248.204 1.00 0.00 C +ATOM 21 CA PRO A 21 256.820 245.110 248.727 1.00 0.00 C +ATOM 22 CA SER A 22 256.491 246.092 252.394 1.00 0.00 C +ATOM 23 CA LEU A 23 256.624 249.793 253.289 1.00 0.00 C +ATOM 24 CA PRO A 24 257.158 253.523 252.728 1.00 0.00 C +ATOM 25 CA GLY A 25 259.160 256.745 253.084 1.00 0.00 C +ATOM 26 CA GLU A 26 257.943 259.770 251.112 1.00 0.00 C +ATOM 27 CA GLN A 27 256.165 259.825 247.742 1.00 0.00 C +ATOM 28 CA THR A 28 253.434 262.345 246.902 1.00 0.00 C +ATOM 29 CA PRO A 29 250.595 263.237 244.522 1.00 0.00 C +ATOM 30 CA GLN A 30 247.022 263.406 243.210 1.00 0.00 C +ATOM 31 CA LYS A 31 243.390 262.802 244.189 1.00 0.00 C +ATOM 32 CA PRO A 32 240.019 262.289 242.489 1.00 0.00 C +ATOM 33 CA THR A 33 237.857 262.359 239.353 1.00 0.00 C +ATOM 34 CA PRO A 34 238.186 265.333 236.993 1.00 0.00 C +ATOM 35 CA GLY A 35 235.196 267.464 235.977 1.00 0.00 C +ATOM 36 CA PRO A 36 231.865 268.085 237.719 1.00 0.00 C +ATOM 37 CA SER A 37 228.493 268.905 239.291 1.00 0.00 C +ATOM 38 CA GLY A 38 224.970 267.602 239.928 1.00 0.00 C +ATOM 39 CA THR A 39 222.499 270.461 239.443 1.00 0.00 C +ATOM 40 CA ARG A 40 222.370 273.915 241.046 1.00 0.00 C +ATOM 41 CA TRP A 41 224.576 274.062 244.148 1.00 0.00 C +ATOM 42 CA SER A 42 228.204 275.106 243.634 1.00 0.00 C +ATOM 43 CA GLU A 43 230.827 276.086 241.050 1.00 0.00 C +ATOM 44 CA VAL A 44 230.437 276.395 237.273 1.00 0.00 C +ATOM 45 CA LEU A 45 230.659 278.354 234.012 1.00 0.00 C +ATOM 46 CA PHE A 46 229.977 277.058 230.495 1.00 0.00 C +ATOM 47 CA HIS A 47 227.862 277.677 227.387 1.00 0.00 C +ATOM 48 CA GLU A 48 227.775 278.242 223.620 1.00 0.00 C +ATOM 49 CA PRO A 49 231.026 277.908 221.662 1.00 0.00 C +ATOM 50 CA SER A 50 233.603 275.667 219.971 1.00 0.00 C +ATOM 51 CA GLN A 51 235.130 273.106 222.343 1.00 0.00 C +ATOM 52 CA THR A 52 235.284 273.148 226.150 1.00 0.00 C +ATOM 53 CA LYS A 53 237.889 274.501 228.578 1.00 0.00 C +ATOM 54 CA GLU A 54 240.965 274.965 230.778 1.00 0.00 C +ATOM 55 CA SER A 55 244.212 274.036 232.542 1.00 0.00 C +ATOM 56 CA PRO A 56 245.445 273.078 236.017 1.00 0.00 C +ATOM 57 CA ILE A 57 242.798 271.563 238.302 1.00 0.00 C +ATOM 58 CA PRO A 58 240.503 269.964 240.888 1.00 0.00 C +ATOM 59 CA GLY A 59 240.412 271.127 244.515 1.00 0.00 C +ATOM 60 CA PRO A 60 241.364 268.199 246.760 1.00 0.00 C +ATOM 61 CA SER A 61 243.413 267.942 249.962 1.00 0.00 C +ATOM 62 CA PRO A 62 246.905 269.165 250.871 1.00 0.00 C +ATOM 63 CA SER A 63 249.049 266.398 252.375 1.00 0.00 C +ATOM 64 CA SER A 64 251.631 265.954 255.142 1.00 0.00 C +ATOM 65 CA GLN A 65 252.131 263.063 257.573 1.00 0.00 C +ATOM 66 CA PRO A 66 255.466 261.389 258.342 1.00 0.00 C +ATOM 67 CA PRO A 67 257.201 259.115 260.859 1.00 0.00 C +ATOM 68 CA GLU A 68 258.550 260.451 264.162 1.00 0.00 C +ATOM 69 CA ASP A 69 260.847 258.757 266.687 1.00 0.00 C +ATOM 70 CA VAL A 70 262.449 257.566 269.932 1.00 0.00 C +ATOM 71 CA PRO A 71 259.890 256.013 272.290 1.00 0.00 C +ATOM 72 CA THR A 72 258.883 252.629 270.860 1.00 0.00 C +ATOM 73 CA CYS A 73 258.742 250.596 267.641 1.00 0.00 C +ATOM 74 CA GLN A 74 255.706 248.515 266.658 1.00 0.00 C +ATOM 75 CA PRO A 75 256.563 245.399 264.639 1.00 0.00 C +ATOM 76 CA GLU A 76 257.723 241.894 265.578 1.00 0.00 C +ATOM 77 CA PRO A 77 259.045 238.409 264.788 1.00 0.00 C +ATOM 78 CA GLU A 78 257.282 235.043 264.517 1.00 0.00 C +ATOM 79 CA VAL A 79 257.685 232.238 261.970 1.00 0.00 C +ATOM 80 CA ALA A 80 260.474 232.486 259.386 1.00 0.00 C +ATOM 81 CA PRO A 81 263.107 231.155 256.975 1.00 0.00 C +ATOM 82 CA MET A 82 266.569 229.575 257.153 1.00 0.00 C +ATOM 83 CA GLN A 83 267.733 226.107 258.220 1.00 0.00 C +ATOM 84 CA SER A 84 270.140 223.349 257.163 1.00 0.00 C +ATOM 85 CA THR A 85 272.445 221.404 254.835 1.00 0.00 C +ATOM 86 CA GLU A 86 272.423 222.096 251.089 1.00 0.00 C +ATOM 87 CA GLU A 87 274.003 222.624 247.663 1.00 0.00 C +ATOM 88 CA PRO A 88 275.170 219.888 245.282 1.00 0.00 C +ATOM 89 CA PHE A 89 273.468 218.746 242.071 1.00 0.00 C +TER 90 PHE A 89 +END diff --git a/Fungi/A0A9Q3F3T9/A0A9Q3F3T9.dcd b/Fungi/A0A9Q3F3T9/A0A9Q3F3T9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..991dd7610d71ff8480af2b02e4cff7e510b0662e --- /dev/null +++ b/Fungi/A0A9Q3F3T9/A0A9Q3F3T9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:43bc5f55107d266f0bcfe5438a35b44f1c0216071e6d4261c2512fe39253a7c7 +size 14480276 diff --git a/Fungi/A0A9Q3F3T9/top.pdb b/Fungi/A0A9Q3F3T9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..734994d5411f483c91d5369f7debbc531a55d662 --- /dev/null +++ b/Fungi/A0A9Q3F3T9/top.pdb @@ -0,0 +1,118 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 296.086 259.524 249.817 1.00 0.00 C +ATOM 2 CA PRO A 2 295.303 256.796 252.359 1.00 0.00 C +ATOM 3 CA ILE A 3 293.090 256.203 255.403 1.00 0.00 C +ATOM 4 CA GLN A 4 291.419 259.004 257.373 1.00 0.00 C +ATOM 5 CA HIS A 5 288.355 260.909 258.598 1.00 0.00 C +ATOM 6 CA SER A 6 284.550 260.856 258.410 1.00 0.00 C +ATOM 7 CA PRO A 7 283.244 263.337 255.830 1.00 0.00 C +ATOM 8 CA PRO A 8 281.037 266.133 257.181 1.00 0.00 C +ATOM 9 CA ALA A 9 282.849 269.074 258.790 1.00 0.00 C +ATOM 10 CA ARG A 10 281.934 272.627 257.764 1.00 0.00 C +ATOM 11 CA LYS A 11 281.882 275.017 260.730 1.00 0.00 C +ATOM 12 CA HIS A 12 281.499 278.561 262.077 1.00 0.00 C +ATOM 13 CA ARG A 13 279.090 281.406 261.292 1.00 0.00 C +ATOM 14 CA SER A 14 279.607 282.134 257.588 1.00 0.00 C +ATOM 15 CA GLN A 15 281.280 282.247 254.167 1.00 0.00 C +ATOM 16 CA ALA A 16 281.362 280.616 250.725 1.00 0.00 C +ATOM 17 CA ARG A 17 280.752 280.184 246.989 1.00 0.00 C +ATOM 18 CA ALA A 18 282.315 276.874 245.932 1.00 0.00 C +ATOM 19 CA GLN A 19 282.548 273.284 244.678 1.00 0.00 C +ATOM 20 CA ALA A 20 280.675 270.177 245.842 1.00 0.00 C +ATOM 21 CA VAL A 21 278.904 267.311 244.062 1.00 0.00 C +ATOM 22 CA LEU A 22 280.108 265.801 240.778 1.00 0.00 C +ATOM 23 CA THR A 23 279.084 268.012 237.850 1.00 0.00 C +ATOM 24 CA ALA A 24 278.358 271.735 237.486 1.00 0.00 C +ATOM 25 CA THR A 25 277.868 275.426 236.682 1.00 0.00 C +ATOM 26 CA PRO A 26 276.722 276.937 233.377 1.00 0.00 C +ATOM 27 CA THR A 27 278.133 280.392 232.608 1.00 0.00 C +ATOM 28 CA ALA A 28 275.782 282.184 230.205 1.00 0.00 C +ATOM 29 CA PRO A 29 274.304 285.685 230.482 1.00 0.00 C +ATOM 30 CA LEU A 30 273.052 289.167 231.390 1.00 0.00 C +ATOM 31 CA ASP A 31 269.275 289.551 231.070 1.00 0.00 C +ATOM 32 CA GLY A 32 267.070 288.281 233.906 1.00 0.00 C +ATOM 33 CA THR A 33 263.576 287.088 232.968 1.00 0.00 C +ATOM 34 CA PRO A 34 261.715 284.224 231.280 1.00 0.00 C +ATOM 35 CA ALA A 35 262.760 283.077 227.800 1.00 0.00 C +ATOM 36 CA GLU A 36 261.733 282.467 224.182 1.00 0.00 C +ATOM 37 CA ALA A 37 258.330 281.685 222.658 1.00 0.00 C +ATOM 38 CA LYS A 38 254.615 281.107 222.040 1.00 0.00 C +ATOM 39 CA LYS A 39 253.296 277.760 223.296 1.00 0.00 C +ATOM 40 CA GLY A 40 251.893 275.379 220.674 1.00 0.00 C +ATOM 41 CA ARG A 41 254.187 272.783 219.088 1.00 0.00 C +ATOM 42 CA ARG A 42 257.732 272.341 220.414 1.00 0.00 C +ATOM 43 CA ARG A 43 260.143 272.058 223.351 1.00 0.00 C +ATOM 44 CA SER A 44 262.632 271.950 226.234 1.00 0.00 C +ATOM 45 CA SER A 45 262.711 268.522 227.895 1.00 0.00 C +ATOM 46 CA SER A 46 259.105 267.923 228.970 1.00 0.00 C +ATOM 47 CA GLY A 47 257.215 264.660 228.423 1.00 0.00 C +ATOM 48 CA SER A 48 256.821 261.492 230.503 1.00 0.00 C +ATOM 49 CA GLY A 49 256.574 258.020 228.955 1.00 0.00 C +ATOM 50 CA VAL A 50 257.794 254.544 227.983 1.00 0.00 C +ATOM 51 CA VAL A 51 259.942 251.431 228.449 1.00 0.00 C +ATOM 52 CA SER A 52 259.522 248.782 225.743 1.00 0.00 C +ATOM 53 CA ARG A 53 256.455 246.758 226.751 1.00 0.00 C +ATOM 54 CA PHE A 54 253.417 248.106 224.888 1.00 0.00 C +ATOM 55 CA PRO A 55 250.700 245.789 223.559 1.00 0.00 C +ATOM 56 CA GLY A 56 248.565 247.542 220.934 1.00 0.00 C +ATOM 57 CA LEU A 57 248.777 251.035 219.428 1.00 0.00 C +ATOM 58 CA SER A 58 249.806 254.535 220.529 1.00 0.00 C +ATOM 59 CA ARG A 59 248.539 254.935 224.099 1.00 0.00 C +ATOM 60 CA THR A 60 249.512 253.828 227.613 1.00 0.00 C +ATOM 61 CA THR A 61 250.457 253.268 231.261 1.00 0.00 C +ATOM 62 CA LEU A 62 249.914 252.261 234.895 1.00 0.00 C +ATOM 63 CA LYS A 63 249.053 252.384 238.605 1.00 0.00 C +ATOM 64 CA GLY A 64 248.299 250.034 241.507 1.00 0.00 C +ATOM 65 CA PRO A 65 245.640 248.045 243.376 1.00 0.00 C +ATOM 66 CA GLY A 66 242.317 246.234 243.820 1.00 0.00 C +ATOM 67 CA GLU A 67 242.865 243.600 246.517 1.00 0.00 C +ATOM 68 CA ASP A 68 242.361 241.621 249.734 1.00 0.00 C +ATOM 69 CA CYS A 69 239.745 241.386 252.494 1.00 0.00 C +ATOM 70 CA GLU A 70 236.472 239.492 252.030 1.00 0.00 C +ATOM 71 CA GLU A 71 233.114 240.553 253.484 1.00 0.00 C +ATOM 72 CA GLU A 72 230.496 241.193 256.177 1.00 0.00 C +ATOM 73 CA GLU A 73 227.985 241.029 259.038 1.00 0.00 C +ATOM 74 CA GLY A 74 227.841 237.355 260.035 1.00 0.00 C +ATOM 75 CA ASN A 75 227.636 234.062 258.130 1.00 0.00 C +ATOM 76 CA SER A 76 230.416 231.458 258.071 1.00 0.00 C +ATOM 77 CA VAL A 77 233.273 232.949 260.104 1.00 0.00 C +ATOM 78 CA GLU A 78 235.167 235.277 257.756 1.00 0.00 C +ATOM 79 CA GLU A 79 238.279 234.703 255.635 1.00 0.00 C +ATOM 80 CA GLU A 80 238.673 230.922 255.389 1.00 0.00 C +ATOM 81 CA GLU A 81 236.033 228.521 254.054 1.00 0.00 C +ATOM 82 CA SER A 82 234.025 226.498 256.582 1.00 0.00 C +ATOM 83 CA ASP A 83 234.036 225.058 260.110 1.00 0.00 C +ATOM 84 CA VAL A 84 233.516 224.854 263.879 1.00 0.00 C +ATOM 85 CA THR A 85 234.576 222.265 266.466 1.00 0.00 C +ATOM 86 CA GLU A 86 235.290 218.587 267.155 1.00 0.00 C +ATOM 87 CA GLY A 87 233.904 217.647 270.577 1.00 0.00 C +ATOM 88 CA VAL A 88 231.003 217.427 273.037 1.00 0.00 C +ATOM 89 CA PRO A 89 228.816 214.340 273.487 1.00 0.00 C +ATOM 90 CA ALA A 90 227.372 211.300 271.703 1.00 0.00 C +ATOM 91 CA PRO A 91 224.500 212.156 269.350 1.00 0.00 C +ATOM 92 CA VAL A 92 221.340 210.027 269.317 1.00 0.00 C +ATOM 93 CA GLY A 93 218.960 210.810 272.188 1.00 0.00 C +ATOM 94 CA ALA A 94 217.655 212.367 275.411 1.00 0.00 C +ATOM 95 CA SER A 95 217.744 213.981 278.861 1.00 0.00 C +ATOM 96 CA GLN A 96 215.277 214.932 281.605 1.00 0.00 C +ATOM 97 CA GLY A 97 214.397 218.518 282.545 1.00 0.00 C +ATOM 98 CA THR A 98 216.034 220.656 279.850 1.00 0.00 C +ATOM 99 CA GLY A 99 218.694 223.384 279.918 1.00 0.00 C +ATOM 100 CA GLY A 100 217.765 226.710 278.308 1.00 0.00 C +ATOM 101 CA PRO A 101 217.221 229.919 276.329 1.00 0.00 C +ATOM 102 CA THR A 102 214.116 231.549 277.820 1.00 0.00 C +ATOM 103 CA LEU A 103 211.659 232.331 275.015 1.00 0.00 C +ATOM 104 CA SER A 104 210.655 232.359 271.340 1.00 0.00 C +ATOM 105 CA GLN A 105 211.693 229.258 269.385 1.00 0.00 C +ATOM 106 CA PHE A 106 212.491 225.629 270.227 1.00 0.00 C +ATOM 107 CA ASP A 107 215.441 223.490 269.114 1.00 0.00 C +ATOM 108 CA GLN A 108 217.527 221.953 271.907 1.00 0.00 C +ATOM 109 CA PRO A 109 221.271 221.329 271.570 1.00 0.00 C +ATOM 110 CA VAL A 110 222.617 217.798 272.058 1.00 0.00 C +ATOM 111 CA SER A 111 223.215 216.597 275.624 1.00 0.00 C +ATOM 112 CA HIS A 112 222.947 218.339 279.002 1.00 0.00 C +ATOM 113 CA GLN A 113 220.865 217.904 282.163 1.00 0.00 C +ATOM 114 CA SER A 114 221.735 218.421 285.836 1.00 0.00 C +TER 115 SER A 114 +END diff --git a/Fungi/A0A9Q3FD01/A0A9Q3FD01.dcd b/Fungi/A0A9Q3FD01/A0A9Q3FD01.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a9b5d038269a27a50fac3e92fab9b0ef9da3799c --- /dev/null +++ b/Fungi/A0A9Q3FD01/A0A9Q3FD01.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e54e0b40ac905fe4e1294e9bcd03ba50b8a4661de2517ddbc71b6b2affea0a8a +size 13760276 diff --git a/Fungi/A0A9Q3FD01/top.pdb b/Fungi/A0A9Q3FD01/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e4ce2da69530fc08c6c3b4389a52fef2fccd2532 --- /dev/null +++ b/Fungi/A0A9Q3FD01/top.pdb @@ -0,0 +1,112 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA THR A 1 282.119 286.110 228.554 1.00 0.00 C +ATOM 2 CA ARG A 2 285.240 288.224 229.106 1.00 0.00 C +ATOM 3 CA ALA A 3 288.277 286.392 227.714 1.00 0.00 C +ATOM 4 CA HIS A 4 290.490 286.489 224.614 1.00 0.00 C +ATOM 5 CA ALA A 5 288.847 284.287 221.974 1.00 0.00 C +ATOM 6 CA ARG A 6 287.853 281.600 219.462 1.00 0.00 C +ATOM 7 CA THR A 7 287.389 277.896 220.225 1.00 0.00 C +ATOM 8 CA GLN A 8 283.901 276.490 220.839 1.00 0.00 C +ATOM 9 CA ALA A 9 281.561 273.574 220.106 1.00 0.00 C +ATOM 10 CA VAL A 10 278.930 271.510 221.931 1.00 0.00 C +ATOM 11 CA LEU A 11 277.111 270.034 224.936 1.00 0.00 C +ATOM 12 CA THR A 12 276.992 268.174 228.259 1.00 0.00 C +ATOM 13 CA PRO A 13 275.988 267.306 231.830 1.00 0.00 C +ATOM 14 CA THR A 14 278.304 264.927 233.700 1.00 0.00 C +ATOM 15 CA PRO A 15 278.049 264.564 237.484 1.00 0.00 C +ATOM 16 CA ARG A 16 276.353 264.652 240.895 1.00 0.00 C +ATOM 17 CA ALA A 17 276.680 266.343 244.293 1.00 0.00 C +ATOM 18 CA PRO A 18 276.214 265.178 247.891 1.00 0.00 C +ATOM 19 CA LEU A 19 273.902 267.249 250.101 1.00 0.00 C +ATOM 20 CA ASP A 20 270.990 265.161 251.395 1.00 0.00 C +ATOM 21 CA GLY A 21 272.284 261.859 252.787 1.00 0.00 C +ATOM 22 CA THR A 22 273.434 260.412 256.119 1.00 0.00 C +ATOM 23 CA PRO A 23 277.054 259.337 256.624 1.00 0.00 C +ATOM 24 CA ALA A 24 280.646 260.506 257.119 1.00 0.00 C +ATOM 25 CA VAL A 25 281.779 261.641 253.663 1.00 0.00 C +ATOM 26 CA PRO A 26 281.543 262.993 250.109 1.00 0.00 C +ATOM 27 CA GLN A 27 281.152 260.525 247.233 1.00 0.00 C +ATOM 28 CA LEU A 28 278.803 257.745 248.360 1.00 0.00 C +ATOM 29 CA ARG A 29 280.439 254.836 250.196 1.00 0.00 C +ATOM 30 CA ALA A 30 279.380 254.146 253.791 1.00 0.00 C +ATOM 31 CA HIS A 31 279.229 253.374 257.519 1.00 0.00 C +ATOM 32 CA LEU A 32 280.564 252.439 260.962 1.00 0.00 C +ATOM 33 CA ASP A 33 277.924 252.843 263.679 1.00 0.00 C +ATOM 34 CA ARG A 34 278.486 255.732 266.099 1.00 0.00 C +ATOM 35 CA GLY A 35 276.874 258.871 264.663 1.00 0.00 C +ATOM 36 CA PRO A 36 273.529 259.953 263.195 1.00 0.00 C +ATOM 37 CA ASN A 37 270.964 257.217 263.866 1.00 0.00 C +ATOM 38 CA VAL A 38 267.571 255.761 264.805 1.00 0.00 C +ATOM 39 CA GLU A 39 263.770 255.991 264.676 1.00 0.00 C +ATOM 40 CA GLY A 40 261.786 253.708 266.993 1.00 0.00 C +ATOM 41 CA ALA A 41 259.468 255.366 269.521 1.00 0.00 C +ATOM 42 CA ALA A 42 257.253 258.249 270.662 1.00 0.00 C +ATOM 43 CA LEU A 43 256.866 258.636 274.433 1.00 0.00 C +ATOM 44 CA SER A 44 260.197 258.542 276.280 1.00 0.00 C +ATOM 45 CA ARG A 45 262.676 260.188 278.659 1.00 0.00 C +ATOM 46 CA LYS A 46 260.700 261.980 281.379 1.00 0.00 C +ATOM 47 CA GLU A 47 256.975 262.767 281.526 1.00 0.00 C +ATOM 48 CA GLY A 48 256.104 265.864 283.568 1.00 0.00 C +ATOM 49 CA ARG A 49 253.692 268.184 281.747 1.00 0.00 C +ATOM 50 CA VAL A 50 253.228 267.618 278.008 1.00 0.00 C +ATOM 51 CA PRO A 51 250.522 267.713 275.328 1.00 0.00 C +ATOM 52 CA ARG A 52 247.698 265.450 274.137 1.00 0.00 C +ATOM 53 CA ARG A 53 247.621 263.674 270.767 1.00 0.00 C +ATOM 54 CA SER A 54 246.636 265.760 267.735 1.00 0.00 C +ATOM 55 CA SER A 55 245.062 265.696 264.265 1.00 0.00 C +ATOM 56 CA SER A 56 246.363 268.848 262.566 1.00 0.00 C +ATOM 57 CA LEU A 57 245.859 268.988 258.792 1.00 0.00 C +ATOM 58 CA SER A 58 247.446 270.466 255.660 1.00 0.00 C +ATOM 59 CA GLY A 59 248.204 268.226 252.672 1.00 0.00 C +ATOM 60 CA VAL A 60 248.174 268.618 248.883 1.00 0.00 C +ATOM 61 CA VAL A 61 245.761 269.940 246.248 1.00 0.00 C +ATOM 62 CA GLY A 62 242.665 269.808 244.031 1.00 0.00 C +ATOM 63 CA ARG A 63 239.398 270.716 242.292 1.00 0.00 C +ATOM 64 CA PHE A 64 236.369 268.428 242.617 1.00 0.00 C +ATOM 65 CA PRO A 65 232.665 268.504 241.729 1.00 0.00 C +ATOM 66 CA GLY A 66 230.295 267.585 244.567 1.00 0.00 C +ATOM 67 CA LEU A 67 231.661 264.407 246.166 1.00 0.00 C +ATOM 68 CA SER A 68 229.106 261.582 246.231 1.00 0.00 C +ATOM 69 CA ARG A 69 226.006 261.496 244.018 1.00 0.00 C +ATOM 70 CA THR A 70 222.341 260.487 243.765 1.00 0.00 C +ATOM 71 CA THR A 71 219.163 261.273 245.715 1.00 0.00 C +ATOM 72 CA LEU A 72 219.935 261.011 249.436 1.00 0.00 C +ATOM 73 CA LYS A 73 217.356 262.980 251.434 1.00 0.00 C +ATOM 74 CA GLY A 74 215.004 260.611 253.270 1.00 0.00 C +ATOM 75 CA PRO A 75 215.884 257.371 255.071 1.00 0.00 C +ATOM 76 CA ALA A 76 213.588 254.378 254.539 1.00 0.00 C +ATOM 77 CA GLU A 77 212.742 250.669 254.335 1.00 0.00 C +ATOM 78 CA ASP A 78 214.834 248.286 256.448 1.00 0.00 C +ATOM 79 CA GLY A 79 213.540 244.703 256.491 1.00 0.00 C +ATOM 80 CA GLU A 80 215.662 242.030 254.797 1.00 0.00 C +ATOM 81 CA GLU A 81 218.473 239.570 255.547 1.00 0.00 C +ATOM 82 CA GLU A 82 219.398 235.996 254.609 1.00 0.00 C +ATOM 83 CA GLY A 83 223.170 235.652 254.192 1.00 0.00 C +ATOM 84 CA GLU A 84 225.902 234.343 251.881 1.00 0.00 C +ATOM 85 CA ASN A 85 227.718 231.699 249.826 1.00 0.00 C +ATOM 86 CA SER A 86 229.822 228.565 249.311 1.00 0.00 C +ATOM 87 CA VAL A 87 229.629 225.080 247.783 1.00 0.00 C +ATOM 88 CA GLU A 88 231.862 222.575 245.979 1.00 0.00 C +ATOM 89 CA GLU A 89 230.814 219.153 244.672 1.00 0.00 C +ATOM 90 CA GLU A 90 233.456 216.729 245.961 1.00 0.00 C +ATOM 91 CA GLU A 91 232.489 213.279 244.667 1.00 0.00 C +ATOM 92 CA SER A 92 234.912 210.545 245.748 1.00 0.00 C +ATOM 93 CA ASP A 93 236.011 206.897 245.740 1.00 0.00 C +ATOM 94 CA GLY A 94 237.434 203.691 247.227 1.00 0.00 C +ATOM 95 CA THR A 95 236.639 199.965 247.297 1.00 0.00 C +ATOM 96 CA GLU A 96 234.007 198.160 249.377 1.00 0.00 C +ATOM 97 CA GLY A 97 233.545 194.611 248.072 1.00 0.00 C +ATOM 98 CA VAL A 98 230.407 192.872 246.790 1.00 0.00 C +ATOM 99 CA PRO A 99 228.288 192.214 243.693 1.00 0.00 C +ATOM 100 CA ALA A 100 224.545 191.903 244.332 1.00 0.00 C +ATOM 101 CA PRO A 101 221.752 194.177 243.089 1.00 0.00 C +ATOM 102 CA VAL A 102 219.571 196.425 240.920 1.00 0.00 C +ATOM 103 CA GLY A 103 219.218 196.719 237.137 1.00 0.00 C +ATOM 104 CA GLU A 104 215.702 196.831 235.675 1.00 0.00 C +ATOM 105 CA SER A 105 214.205 199.210 233.103 1.00 0.00 C +ATOM 106 CA GLN A 106 213.536 199.273 229.353 1.00 0.00 C +ATOM 107 CA GLY A 107 210.579 200.007 227.064 1.00 0.00 C +ATOM 108 CA THR A 108 209.796 200.716 223.404 1.00 0.00 C +TER 109 THR A 108 +END diff --git a/Fungi/A0A9Q3FSG9/A0A9Q3FSG9.dcd b/Fungi/A0A9Q3FSG9/A0A9Q3FSG9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..7c7ae41c034d07a4b318c4d0374604995499de30 --- /dev/null +++ b/Fungi/A0A9Q3FSG9/A0A9Q3FSG9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a76ab76d177cc5a37ae0ce7f7d866195f34b2a0f2a801cfc07c3043033ba8cf5 +size 37020276 diff --git a/Fungi/A0A9Q3FSG9/top.pdb b/Fungi/A0A9Q3FSG9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..50dd7dc7514633d19a981bae12fcb6217c532bb6 --- /dev/null +++ b/Fungi/A0A9Q3FSG9/top.pdb @@ -0,0 +1,203 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 220.268 296.208 258.851 1.00 0.00 C +ATOM 2 CA ASP A 2 218.074 293.653 260.632 1.00 0.00 C +ATOM 3 CA VAL A 3 217.588 289.987 259.713 1.00 0.00 C +ATOM 4 CA GLY A 4 220.250 288.990 257.177 1.00 0.00 C +ATOM 5 CA ASN A 5 220.504 289.747 253.451 1.00 0.00 C +ATOM 6 CA PRO A 6 217.327 289.074 251.458 1.00 0.00 C +ATOM 7 CA LYS A 7 217.521 285.485 250.194 1.00 0.00 C +ATOM 8 CA ALA A 8 220.693 285.273 248.095 1.00 0.00 C +ATOM 9 CA PRO A 9 223.228 288.083 247.651 1.00 0.00 C +ATOM 10 CA THR A 10 223.518 291.831 248.269 1.00 0.00 C +ATOM 11 CA SER A 11 226.262 293.351 246.106 1.00 0.00 C +ATOM 12 CA SER A 12 227.018 296.857 247.391 1.00 0.00 C +ATOM 13 CA THR A 13 227.708 300.370 248.694 1.00 0.00 C +ATOM 14 CA TRP A 14 225.775 302.010 251.539 1.00 0.00 C +ATOM 15 CA SER A 15 225.167 300.710 255.068 1.00 0.00 C +ATOM 16 CA ILE A 16 228.137 298.470 255.893 1.00 0.00 C +ATOM 17 CA PRO A 17 230.223 295.337 255.302 1.00 0.00 C +ATOM 18 CA ASN A 18 232.533 294.670 258.258 1.00 0.00 C +ATOM 19 CA ILE A 19 235.712 292.786 257.329 1.00 0.00 C +ATOM 20 CA SER A 20 239.438 291.991 257.320 1.00 0.00 C +ATOM 21 CA VAL A 21 242.311 289.529 256.866 1.00 0.00 C +ATOM 22 CA THR A 22 242.936 285.784 256.555 1.00 0.00 C +ATOM 23 CA PRO A 23 242.836 284.005 253.187 1.00 0.00 C +ATOM 24 CA ILE A 24 241.870 285.499 249.818 1.00 0.00 C +ATOM 25 CA SER A 25 243.710 283.363 247.255 1.00 0.00 C +ATOM 26 CA PRO A 26 242.692 282.244 243.758 1.00 0.00 C +ATOM 27 CA ASN A 27 241.900 284.270 240.629 1.00 0.00 C +ATOM 28 CA PRO A 28 238.898 282.956 238.685 1.00 0.00 C +ATOM 29 CA THR A 29 235.493 284.589 238.183 1.00 0.00 C +ATOM 30 CA ASN A 30 234.333 287.939 239.579 1.00 0.00 C +ATOM 31 CA THR A 31 235.813 291.200 238.279 1.00 0.00 C +ATOM 32 CA GLN A 32 239.617 291.303 238.095 1.00 0.00 C +ATOM 33 CA MET A 33 242.557 291.142 240.514 1.00 0.00 C +ATOM 34 CA HIS A 34 243.906 293.912 242.755 1.00 0.00 C +ATOM 35 CA VAL A 35 246.415 296.369 241.278 1.00 0.00 C +ATOM 36 CA SER A 36 248.844 297.079 244.127 1.00 0.00 C +ATOM 37 CA GLU A 37 252.392 296.551 242.842 1.00 0.00 C +ATOM 38 CA GLY A 38 255.480 294.869 244.309 1.00 0.00 C +ATOM 39 CA PRO A 39 254.980 292.771 247.449 1.00 0.00 C +ATOM 40 CA GLU A 40 251.893 291.038 248.859 1.00 0.00 C +ATOM 41 CA GLY A 41 249.335 288.652 250.368 1.00 0.00 C +ATOM 42 CA THR A 42 250.878 287.633 253.700 1.00 0.00 C +ATOM 43 CA PRO A 43 254.338 289.073 254.382 1.00 0.00 C +ATOM 44 CA GLN A 44 256.911 290.418 256.849 1.00 0.00 C +ATOM 45 CA ILE A 45 258.653 289.181 260.004 1.00 0.00 C +ATOM 46 CA SER A 46 257.508 285.732 261.148 1.00 0.00 C +ATOM 47 CA SER A 47 256.984 282.201 262.479 1.00 0.00 C +ATOM 48 CA LYS A 48 254.985 279.502 260.680 1.00 0.00 C +ATOM 49 CA GLY A 49 256.587 278.371 257.413 1.00 0.00 C +ATOM 50 CA ASN A 50 258.166 276.899 254.274 1.00 0.00 C +ATOM 51 CA PRO A 51 258.665 273.121 254.297 1.00 0.00 C +ATOM 52 CA GLN A 52 256.208 271.859 251.672 1.00 0.00 C +ATOM 53 CA SER A 53 252.710 270.511 252.351 1.00 0.00 C +ATOM 54 CA LYS A 54 251.113 267.591 250.495 1.00 0.00 C +ATOM 55 CA PHE A 55 251.204 263.782 250.536 1.00 0.00 C +ATOM 56 CA PRO A 56 249.471 261.078 252.586 1.00 0.00 C +ATOM 57 CA ARG A 57 246.799 258.742 253.970 1.00 0.00 C +ATOM 58 CA GLU A 58 246.473 258.642 257.765 1.00 0.00 C +ATOM 59 CA PHE A 59 244.949 257.946 261.187 1.00 0.00 C +ATOM 60 CA LEU A 60 242.230 258.977 263.649 1.00 0.00 C +ATOM 61 CA LEU A 61 239.649 257.997 266.275 1.00 0.00 C +ATOM 62 CA ASN A 62 236.058 256.811 265.813 1.00 0.00 C +ATOM 63 CA PRO A 63 234.210 255.265 262.861 1.00 0.00 C +ATOM 64 CA GLY A 64 232.592 252.002 261.743 1.00 0.00 C +ATOM 65 CA TRP A 65 231.131 250.280 264.811 1.00 0.00 C +ATOM 66 CA ASN A 66 227.867 248.319 264.930 1.00 0.00 C +ATOM 67 CA PRO A 67 225.431 249.837 262.425 1.00 0.00 C +ATOM 68 CA VAL A 68 223.466 252.548 260.607 1.00 0.00 C +ATOM 69 CA ALA A 69 223.685 251.613 256.920 1.00 0.00 C +ATOM 70 CA SER A 70 223.873 249.738 253.608 1.00 0.00 C +ATOM 71 CA HIS A 71 227.009 250.133 251.481 1.00 0.00 C +ATOM 72 CA VAL A 72 226.679 248.688 247.971 1.00 0.00 C +ATOM 73 CA PRO A 73 226.509 244.882 247.982 1.00 0.00 C +ATOM 74 CA PHE A 74 228.163 243.319 251.038 1.00 0.00 C +ATOM 75 CA GLY A 75 231.369 241.763 249.691 1.00 0.00 C +ATOM 76 CA GLN A 76 233.014 244.067 247.142 1.00 0.00 C +ATOM 77 CA SER A 77 234.666 244.922 243.817 1.00 0.00 C +ATOM 78 CA LYS A 78 234.557 246.323 240.276 1.00 0.00 C +ATOM 79 CA GLN A 79 233.088 247.345 236.912 1.00 0.00 C +ATOM 80 CA PRO A 80 231.664 249.459 234.080 1.00 0.00 C +ATOM 81 CA THR A 81 232.116 248.883 230.341 1.00 0.00 C +ATOM 82 CA LEU A 82 235.369 247.067 229.545 1.00 0.00 C +ATOM 83 CA ASN A 83 236.375 244.190 227.258 1.00 0.00 C +ATOM 84 CA ILE A 84 238.473 244.837 224.144 1.00 0.00 C +ATOM 85 CA PRO A 85 237.105 246.624 221.070 1.00 0.00 C +ATOM 86 CA SER A 86 239.674 248.851 219.350 1.00 0.00 C +ATOM 87 CA GLY A 87 241.755 250.862 221.828 1.00 0.00 C +ATOM 88 CA SER A 88 239.693 251.759 224.904 1.00 0.00 C +ATOM 89 CA GLN A 89 238.180 252.331 228.354 1.00 0.00 C +ATOM 90 CA VAL A 90 237.416 253.452 231.914 1.00 0.00 C +ATOM 91 CA HIS A 91 238.979 252.675 235.300 1.00 0.00 C +ATOM 92 CA VAL A 92 240.303 251.535 238.686 1.00 0.00 C +ATOM 93 CA GLY A 93 242.502 248.573 239.641 1.00 0.00 C +ATOM 94 CA ASN A 94 246.155 249.057 240.608 1.00 0.00 C +ATOM 95 CA GLU A 95 248.701 246.399 241.593 1.00 0.00 C +ATOM 96 CA LYS A 96 247.743 243.372 239.487 1.00 0.00 C +ATOM 97 CA ARG A 97 249.721 240.131 239.165 1.00 0.00 C +ATOM 98 CA VAL A 98 249.913 236.326 239.214 1.00 0.00 C +ATOM 99 CA ASP A 99 250.431 232.784 240.517 1.00 0.00 C +ATOM 100 CA GLY A 100 253.228 230.736 242.098 1.00 0.00 C +ATOM 101 CA GLY A 101 253.659 227.074 241.140 1.00 0.00 C +ATOM 102 CA ARG A 102 255.325 225.668 238.016 1.00 0.00 C +ATOM 103 CA ARG A 103 258.018 223.012 237.560 1.00 0.00 C +ATOM 104 CA LYS A 104 257.926 219.389 238.737 1.00 0.00 C +ATOM 105 CA ARG A 105 257.067 216.691 241.287 1.00 0.00 C +ATOM 106 CA PRO A 106 255.463 215.035 244.320 1.00 0.00 C +ATOM 107 CA LEU A 107 253.389 212.025 243.243 1.00 0.00 C +ATOM 108 CA GLU A 108 251.442 210.720 246.246 1.00 0.00 C +ATOM 109 CA ASN A 109 252.919 208.406 248.889 1.00 0.00 C +ATOM 110 CA VAL A 110 252.943 204.842 250.237 1.00 0.00 C +ATOM 111 CA THR A 111 252.650 204.855 254.035 1.00 0.00 C +ATOM 112 CA TRP A 112 251.284 206.874 256.963 1.00 0.00 C +ATOM 113 CA SER A 113 247.654 207.388 258.001 1.00 0.00 C +ATOM 114 CA GLY A 114 246.253 210.285 255.961 1.00 0.00 C +ATOM 115 CA LEU A 115 246.302 209.913 252.170 1.00 0.00 C +ATOM 116 CA PRO A 116 243.930 208.980 249.338 1.00 0.00 C +ATOM 117 CA GLU A 117 242.212 207.453 246.299 1.00 0.00 C +ATOM 118 CA GLY A 118 240.127 207.891 243.141 1.00 0.00 C +ATOM 119 CA ASN A 119 241.164 205.066 240.804 1.00 0.00 C +ATOM 120 CA PRO A 120 240.603 204.079 237.167 1.00 0.00 C +ATOM 121 CA GLY A 121 238.781 206.824 235.254 1.00 0.00 C +ATOM 122 CA LEU A 122 238.853 210.624 234.989 1.00 0.00 C +ATOM 123 CA THR A 123 239.259 213.221 232.231 1.00 0.00 C +ATOM 124 CA LEU A 124 241.143 213.710 228.956 1.00 0.00 C +ATOM 125 CA HIS A 125 242.901 215.836 226.328 1.00 0.00 C +ATOM 126 CA GLN A 126 246.067 217.950 226.470 1.00 0.00 C +ATOM 127 CA ASN A 127 248.415 217.384 223.523 1.00 0.00 C +ATOM 128 CA MET A 128 249.099 218.551 219.961 1.00 0.00 C +ATOM 129 CA ALA A 129 248.234 221.935 218.438 1.00 0.00 C +ATOM 130 CA HIS A 130 245.666 224.393 217.069 1.00 0.00 C +ATOM 131 CA GLN A 131 245.751 228.050 218.134 1.00 0.00 C +ATOM 132 CA GLY A 132 243.299 230.904 217.534 1.00 0.00 C +ATOM 133 CA LYS A 133 244.221 233.810 219.818 1.00 0.00 C +ATOM 134 CA SER A 134 245.904 234.367 223.191 1.00 0.00 C +ATOM 135 CA VAL A 135 249.312 235.410 224.536 1.00 0.00 C +ATOM 136 CA GLN A 136 252.482 234.306 222.733 1.00 0.00 C +ATOM 137 CA SER A 137 256.171 233.973 223.626 1.00 0.00 C +ATOM 138 CA GLN A 138 259.109 234.437 226.007 1.00 0.00 C +ATOM 139 CA GLU A 139 262.112 232.187 225.349 1.00 0.00 C +ATOM 140 CA PRO A 140 263.684 231.469 228.745 1.00 0.00 C +ATOM 141 CA ILE A 141 263.384 230.064 232.274 1.00 0.00 C +ATOM 142 CA GLU A 142 263.790 226.424 233.324 1.00 0.00 C +ATOM 143 CA ASP A 143 266.317 224.545 235.469 1.00 0.00 C +ATOM 144 CA ARG A 144 266.687 224.910 239.243 1.00 0.00 C +ATOM 145 CA ASP A 145 269.973 226.669 240.029 1.00 0.00 C +ATOM 146 CA GLU A 146 272.250 229.688 240.499 1.00 0.00 C +ATOM 147 CA LEU A 147 273.406 231.740 243.494 1.00 0.00 C +ATOM 148 CA TYR A 148 273.125 231.423 247.280 1.00 0.00 C +ATOM 149 CA ALA A 149 272.923 227.857 248.607 1.00 0.00 C +ATOM 150 CA SER A 150 270.457 224.953 248.582 1.00 0.00 C +ATOM 151 CA LEU A 151 268.246 223.095 251.067 1.00 0.00 C +ATOM 152 CA PRO A 152 265.305 223.029 253.488 1.00 0.00 C +ATOM 153 CA LEU A 153 262.111 224.344 251.880 1.00 0.00 C +ATOM 154 CA ALA A 154 260.171 226.787 249.692 1.00 0.00 C +ATOM 155 CA HIS A 155 262.591 228.937 247.683 1.00 0.00 C +ATOM 156 CA LYS A 156 264.886 229.966 244.821 1.00 0.00 C +ATOM 157 CA GLN A 157 264.610 231.935 241.571 1.00 0.00 C +ATOM 158 CA LYS A 158 262.678 234.530 239.559 1.00 0.00 C +ATOM 159 CA VAL A 159 259.858 235.597 241.889 1.00 0.00 C +ATOM 160 CA THR A 160 258.663 238.456 244.105 1.00 0.00 C +ATOM 161 CA GLY A 161 255.485 237.919 246.137 1.00 0.00 C +ATOM 162 CA HIS A 162 255.648 237.866 249.943 1.00 0.00 C +ATOM 163 CA HIS A 163 255.260 240.293 252.854 1.00 0.00 C +ATOM 164 CA HIS A 164 253.859 240.560 256.387 1.00 0.00 C +ATOM 165 CA PRO A 165 253.388 244.199 257.411 1.00 0.00 C +ATOM 166 CA TYR A 166 253.969 246.646 260.273 1.00 0.00 C +ATOM 167 CA ALA A 167 252.000 248.955 262.576 1.00 0.00 C +ATOM 168 CA SER A 168 251.096 249.502 266.237 1.00 0.00 C +ATOM 169 CA LYS A 169 249.612 252.988 266.636 1.00 0.00 C +ATOM 170 CA ARG A 170 247.187 253.820 269.454 1.00 0.00 C +ATOM 171 CA SER A 171 249.061 253.794 272.771 1.00 0.00 C +ATOM 172 CA MET A 172 252.587 255.172 272.341 1.00 0.00 C +ATOM 173 CA GLY A 173 254.957 252.453 271.114 1.00 0.00 C +ATOM 174 CA HIS A 174 257.978 252.038 268.828 1.00 0.00 C +ATOM 175 CA ALA A 175 261.077 249.874 269.303 1.00 0.00 C +ATOM 176 CA SER A 176 263.218 247.003 268.002 1.00 0.00 C +ATOM 177 CA SER A 177 266.785 246.052 268.943 1.00 0.00 C +ATOM 178 CA SER A 178 267.844 244.042 272.001 1.00 0.00 C +ATOM 179 CA ARG A 179 271.579 243.295 271.920 1.00 0.00 C +ATOM 180 CA GLU A 180 273.753 240.763 273.758 1.00 0.00 C +ATOM 181 CA LYS A 181 277.328 241.945 273.175 1.00 0.00 C +ATOM 182 CA ILE A 182 279.210 242.260 276.473 1.00 0.00 C +ATOM 183 CA MET A 183 279.398 241.814 280.252 1.00 0.00 C +ATOM 184 CA GLY A 184 281.129 244.360 282.496 1.00 0.00 C +ATOM 185 CA ASP A 185 284.623 244.830 283.942 1.00 0.00 C +ATOM 186 CA GLU A 186 288.124 243.353 284.214 1.00 0.00 C +ATOM 187 CA ASP A 187 290.632 240.726 285.367 1.00 0.00 C +ATOM 188 CA GLU A 188 288.854 237.371 285.679 1.00 0.00 C +ATOM 189 CA ASN A 189 288.160 235.547 282.407 1.00 0.00 C +ATOM 190 CA MET A 190 284.565 234.467 281.755 1.00 0.00 C +ATOM 191 CA SER A 191 284.527 230.659 281.622 1.00 0.00 C +ATOM 192 CA PRO A 192 283.435 227.761 279.402 1.00 0.00 C +ATOM 193 CA ALA A 193 285.085 224.426 280.220 1.00 0.00 C +ATOM 194 CA GLN A 194 287.228 224.306 283.368 1.00 0.00 C +ATOM 195 CA MET A 195 288.525 226.977 285.755 1.00 0.00 C +ATOM 196 CA GLU A 196 289.659 230.605 285.492 1.00 0.00 C +ATOM 197 CA THR A 197 292.911 232.146 284.241 1.00 0.00 C +ATOM 198 CA ASN A 198 295.362 230.897 281.606 1.00 0.00 C +ATOM 199 CA ASP A 199 294.183 231.419 278.021 1.00 0.00 C +TER 200 ASP A 199 +END diff --git a/Fungi/A0A9Q3GM62/A0A9Q3GM62.dcd b/Fungi/A0A9Q3GM62/A0A9Q3GM62.dcd new file mode 100644 index 0000000000000000000000000000000000000000..3cb931f746659c2920ccf7c9359ff798b3020dcf --- /dev/null +++ b/Fungi/A0A9Q3GM62/A0A9Q3GM62.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6fcaefa4c1613b3c58404af1a22d7e4e960e4861a9a0a84555b7910a23369ff1 +size 13040276 diff --git a/Fungi/A0A9Q3GM62/top.pdb b/Fungi/A0A9Q3GM62/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0c66fba31c69946d8c64a4f1277c9c565ff049c6 --- /dev/null +++ b/Fungi/A0A9Q3GM62/top.pdb @@ -0,0 +1,106 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 250.348 261.219 287.354 1.00 0.00 C +ATOM 2 CA ALA A 2 246.688 260.690 286.437 1.00 0.00 C +ATOM 3 CA GLY A 3 243.182 262.044 285.808 1.00 0.00 C +ATOM 4 CA THR A 4 239.995 262.750 283.844 1.00 0.00 C +ATOM 5 CA VAL A 5 237.974 262.986 280.623 1.00 0.00 C +ATOM 6 CA VAL A 6 238.170 260.872 277.460 1.00 0.00 C +ATOM 7 CA ASP A 7 236.333 257.571 277.953 1.00 0.00 C +ATOM 8 CA SER A 8 234.683 254.790 275.938 1.00 0.00 C +ATOM 9 CA ASN A 9 231.367 256.259 274.772 1.00 0.00 C +ATOM 10 CA GLU A 10 229.787 255.627 271.363 1.00 0.00 C +ATOM 11 CA ARG A 11 228.520 254.793 267.868 1.00 0.00 C +ATOM 12 CA GLN A 12 225.009 253.719 266.850 1.00 0.00 C +ATOM 13 CA GLY A 13 222.684 256.551 267.894 1.00 0.00 C +ATOM 14 CA GLU A 14 219.195 255.226 267.129 1.00 0.00 C +ATOM 15 CA HIS A 15 215.743 254.050 266.024 1.00 0.00 C +ATOM 16 CA TYR A 16 214.324 251.113 267.992 1.00 0.00 C +ATOM 17 CA GLY A 17 211.925 248.571 269.507 1.00 0.00 C +ATOM 18 CA PHE A 18 211.194 245.763 267.037 1.00 0.00 C +ATOM 19 CA GLY A 19 211.205 242.098 268.079 1.00 0.00 C +ATOM 20 CA ARG A 20 212.759 239.560 270.458 1.00 0.00 C +ATOM 21 CA GLN A 21 216.476 240.377 270.636 1.00 0.00 C +ATOM 22 CA HIS A 22 219.920 241.593 271.720 1.00 0.00 C +ATOM 23 CA THR A 23 222.200 239.790 274.183 1.00 0.00 C +ATOM 24 CA HIS A 24 220.580 238.148 277.216 1.00 0.00 C +ATOM 25 CA LYS A 25 219.764 234.849 278.939 1.00 0.00 C +ATOM 26 CA SER A 26 219.031 231.552 277.176 1.00 0.00 C +ATOM 27 CA GLU A 27 222.409 229.905 276.550 1.00 0.00 C +ATOM 28 CA ARG A 28 226.017 231.022 277.048 1.00 0.00 C +ATOM 29 CA LEU A 29 229.810 231.378 277.106 1.00 0.00 C +ATOM 30 CA GLN A 30 233.176 229.592 277.081 1.00 0.00 C +ATOM 31 CA LYS A 31 236.286 228.274 275.321 1.00 0.00 C +ATOM 32 CA TYR A 32 240.003 228.979 275.773 1.00 0.00 C +ATOM 33 CA LYS A 33 243.011 228.199 277.978 1.00 0.00 C +ATOM 34 CA HIS A 34 244.992 225.561 276.072 1.00 0.00 C +ATOM 35 CA ASP A 35 248.063 227.287 274.620 1.00 0.00 C +ATOM 36 CA HIS A 36 249.631 230.104 272.591 1.00 0.00 C +ATOM 37 CA ASP A 37 248.847 231.097 268.997 1.00 0.00 C +ATOM 38 CA ASN A 38 246.254 233.882 268.804 1.00 0.00 C +ATOM 39 CA ILE A 39 247.513 237.435 269.361 1.00 0.00 C +ATOM 40 CA GLN A 40 250.713 238.451 267.561 1.00 0.00 C +ATOM 41 CA SER A 41 251.893 241.740 266.042 1.00 0.00 C +ATOM 42 CA ASN A 42 255.163 242.663 264.318 1.00 0.00 C +ATOM 43 CA THR A 43 258.789 243.477 263.478 1.00 0.00 C +ATOM 44 CA GLU A 44 261.108 240.762 264.808 1.00 0.00 C +ATOM 45 CA ILE A 45 260.760 237.775 262.469 1.00 0.00 C +ATOM 46 CA ARG A 46 264.157 236.618 261.190 1.00 0.00 C +ATOM 47 CA ALA A 47 266.932 239.179 260.678 1.00 0.00 C +ATOM 48 CA ALA A 48 266.625 241.013 257.353 1.00 0.00 C +ATOM 49 CA SER A 49 264.482 244.146 257.029 1.00 0.00 C +ATOM 50 CA VAL A 50 261.415 246.407 256.994 1.00 0.00 C +ATOM 51 CA SER A 51 261.400 250.207 256.713 1.00 0.00 C +ATOM 52 CA SER A 52 264.368 251.982 255.115 1.00 0.00 C +ATOM 53 CA GLN A 53 265.889 253.973 252.244 1.00 0.00 C +ATOM 54 CA MET A 54 267.409 254.475 248.787 1.00 0.00 C +ATOM 55 CA LEU A 55 264.420 255.220 246.546 1.00 0.00 C +ATOM 56 CA ASP A 56 263.758 257.994 244.019 1.00 0.00 C +ATOM 57 CA LYS A 57 264.853 261.521 243.082 1.00 0.00 C +ATOM 58 CA THR A 58 264.001 264.485 240.845 1.00 0.00 C +ATOM 59 CA SER A 59 261.606 267.443 241.032 1.00 0.00 C +ATOM 60 CA ASP A 60 260.570 268.756 237.609 1.00 0.00 C +ATOM 61 CA SER A 61 257.336 267.619 235.946 1.00 0.00 C +ATOM 62 CA ALA A 62 256.612 266.887 232.278 1.00 0.00 C +ATOM 63 CA LYS A 63 259.146 265.566 229.758 1.00 0.00 C +ATOM 64 CA SER A 64 257.145 265.153 226.542 1.00 0.00 C +ATOM 65 CA SER A 65 254.405 263.541 224.443 1.00 0.00 C +ATOM 66 CA GLY A 66 251.045 263.236 226.213 1.00 0.00 C +ATOM 67 CA GLY A 67 249.620 260.261 228.119 1.00 0.00 C +ATOM 68 CA HIS A 68 250.537 259.880 231.797 1.00 0.00 C +ATOM 69 CA GLN A 69 251.613 260.808 235.332 1.00 0.00 C +ATOM 70 CA ASN A 70 252.820 257.983 237.585 1.00 0.00 C +ATOM 71 CA GLN A 71 253.896 254.695 239.182 1.00 0.00 C +ATOM 72 CA ILE A 72 255.189 251.695 237.221 1.00 0.00 C +ATOM 73 CA GLU A 73 257.189 250.072 234.413 1.00 0.00 C +ATOM 74 CA HIS A 74 258.978 246.730 234.795 1.00 0.00 C +ATOM 75 CA ASN A 75 262.471 245.486 233.922 1.00 0.00 C +ATOM 76 CA HIS A 76 265.909 247.129 233.890 1.00 0.00 C +ATOM 77 CA LEU A 77 268.633 249.138 232.142 1.00 0.00 C +ATOM 78 CA SER A 78 271.972 247.635 233.196 1.00 0.00 C +ATOM 79 CA GLU A 79 274.981 249.344 231.601 1.00 0.00 C +ATOM 80 CA THR A 80 274.130 252.241 229.278 1.00 0.00 C +ATOM 81 CA VAL A 81 275.909 251.516 225.988 1.00 0.00 C +ATOM 82 CA ASN A 82 276.308 248.393 223.842 1.00 0.00 C +ATOM 83 CA GLY A 83 275.891 249.643 220.266 1.00 0.00 C +ATOM 84 CA ARG A 84 274.205 252.225 218.029 1.00 0.00 C +ATOM 85 CA HIS A 85 271.437 254.460 216.666 1.00 0.00 C +ATOM 86 CA ASN A 86 267.899 253.401 215.730 1.00 0.00 C +ATOM 87 CA LEU A 87 265.876 251.522 218.357 1.00 0.00 C +ATOM 88 CA THR A 88 266.728 251.757 222.063 1.00 0.00 C +ATOM 89 CA CYS A 89 265.032 254.469 224.132 1.00 0.00 C +ATOM 90 CA LEU A 90 263.285 254.718 227.509 1.00 0.00 C +ATOM 91 CA ASN A 91 260.306 252.488 228.327 1.00 0.00 C +ATOM 92 CA GLY A 92 257.697 250.600 226.291 1.00 0.00 C +ATOM 93 CA PRO A 93 258.276 250.270 222.540 1.00 0.00 C +ATOM 94 CA ARG A 94 257.806 252.803 219.732 1.00 0.00 C +ATOM 95 CA GLU A 95 259.755 254.975 217.283 1.00 0.00 C +ATOM 96 CA GLY A 96 259.817 254.178 213.558 1.00 0.00 C +ATOM 97 CA LEU A 97 257.480 256.467 211.604 1.00 0.00 C +ATOM 98 CA HIS A 98 257.986 260.219 212.028 1.00 0.00 C +ATOM 99 CA ALA A 99 258.041 263.861 210.910 1.00 0.00 C +ATOM 100 CA GLN A 100 261.705 264.905 210.856 1.00 0.00 C +ATOM 101 CA ARG A 101 264.574 267.356 210.336 1.00 0.00 C +ATOM 102 CA LEU A 102 264.985 271.112 210.828 1.00 0.00 C +TER 103 LEU A 102 +END diff --git a/Fungi/A0A9Q3HEQ1/A0A9Q3HEQ1.dcd b/Fungi/A0A9Q3HEQ1/A0A9Q3HEQ1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..25744f3ab5877e70ecabe23efa2332fd0b1d1ac8 --- /dev/null +++ b/Fungi/A0A9Q3HEQ1/A0A9Q3HEQ1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:19f812462992410b42756500670f9492223f65e0ee84b84e76d491a0fc8773fb +size 12680276 diff --git a/Fungi/A0A9Q3HEQ1/top.pdb b/Fungi/A0A9Q3HEQ1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3f1a339bcfe36aa4e820673db8c3215ec365c5c5 --- /dev/null +++ b/Fungi/A0A9Q3HEQ1/top.pdb @@ -0,0 +1,103 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 272.017 223.946 233.458 1.00 0.00 C +ATOM 2 CA SER A 2 269.238 226.495 232.915 1.00 0.00 C +ATOM 3 CA PRO A 3 267.504 229.546 234.400 1.00 0.00 C +ATOM 4 CA VAL A 4 264.046 229.766 232.815 1.00 0.00 C +ATOM 5 CA HIS A 5 263.773 230.567 229.100 1.00 0.00 C +ATOM 6 CA LEU A 6 266.006 233.299 227.662 1.00 0.00 C +ATOM 7 CA ARG A 7 266.327 236.673 225.922 1.00 0.00 C +ATOM 8 CA ASP A 8 264.703 240.069 226.509 1.00 0.00 C +ATOM 9 CA LEU A 9 263.907 243.342 228.289 1.00 0.00 C +ATOM 10 CA GLY A 10 263.341 247.085 228.722 1.00 0.00 C +ATOM 11 CA PHE A 11 261.336 248.530 231.622 1.00 0.00 C +ATOM 12 CA GLN A 12 258.415 248.017 234.013 1.00 0.00 C +ATOM 13 CA ARG A 13 258.865 245.870 237.128 1.00 0.00 C +ATOM 14 CA HIS A 14 262.131 245.104 238.933 1.00 0.00 C +ATOM 15 CA GLN A 15 264.934 245.947 236.494 1.00 0.00 C +ATOM 16 CA PRO A 16 267.675 245.810 233.852 1.00 0.00 C +ATOM 17 CA ALA A 17 271.406 245.061 234.046 1.00 0.00 C +ATOM 18 CA ASP A 18 275.010 243.967 234.621 1.00 0.00 C +ATOM 19 CA ARG A 19 276.940 240.732 234.045 1.00 0.00 C +ATOM 20 CA GLU A 20 275.921 238.173 231.413 1.00 0.00 C +ATOM 21 CA GLY A 21 272.519 238.833 229.830 1.00 0.00 C +ATOM 22 CA LEU A 22 270.769 241.944 228.498 1.00 0.00 C +ATOM 23 CA SER A 23 272.473 243.755 225.611 1.00 0.00 C +ATOM 24 CA ARG A 24 272.266 243.192 221.848 1.00 0.00 C +ATOM 25 CA THR A 25 269.452 241.406 220.001 1.00 0.00 C +ATOM 26 CA ARG A 26 265.699 241.177 220.618 1.00 0.00 C +ATOM 27 CA ARG A 27 262.963 243.533 219.401 1.00 0.00 C +ATOM 28 CA PRO A 28 261.443 242.925 215.961 1.00 0.00 C +ATOM 29 CA GLY A 29 258.118 241.996 214.349 1.00 0.00 C +ATOM 30 CA SER A 30 254.695 241.850 212.683 1.00 0.00 C +ATOM 31 CA GLY A 31 252.217 240.026 214.930 1.00 0.00 C +ATOM 32 CA HIS A 32 249.531 242.103 216.658 1.00 0.00 C +ATOM 33 CA LEU A 33 249.654 245.697 217.918 1.00 0.00 C +ATOM 34 CA GLY A 34 250.314 247.476 221.222 1.00 0.00 C +ATOM 35 CA HIS A 35 248.491 249.635 223.777 1.00 0.00 C +ATOM 36 CA SER A 36 248.856 251.135 227.261 1.00 0.00 C +ATOM 37 CA GLY A 37 250.490 252.483 230.427 1.00 0.00 C +ATOM 38 CA GLY A 38 247.983 254.393 232.568 1.00 0.00 C +ATOM 39 CA TRP A 39 244.342 254.016 233.624 1.00 0.00 C +ATOM 40 CA LYS A 40 242.442 257.299 233.979 1.00 0.00 C +ATOM 41 CA GLU A 41 243.008 259.056 230.646 1.00 0.00 C +ATOM 42 CA ILE A 42 245.229 262.139 230.927 1.00 0.00 C +ATOM 43 CA GLU A 43 248.061 262.155 233.475 1.00 0.00 C +ATOM 44 CA GLY A 44 251.821 262.070 232.863 1.00 0.00 C +ATOM 45 CA ASN A 45 253.509 259.593 230.510 1.00 0.00 C +ATOM 46 CA HIS A 46 255.181 261.451 227.635 1.00 0.00 C +ATOM 47 CA THR A 47 254.991 265.230 227.184 1.00 0.00 C +ATOM 48 CA HIS A 48 256.399 267.403 229.980 1.00 0.00 C +ATOM 49 CA SER A 49 256.623 269.717 232.998 1.00 0.00 C +ATOM 50 CA ALA A 50 253.330 270.833 234.554 1.00 0.00 C +ATOM 51 CA ILE A 51 251.757 272.484 237.607 1.00 0.00 C +ATOM 52 CA HIS A 52 249.772 273.377 240.734 1.00 0.00 C +ATOM 53 CA ILE A 53 250.874 276.656 242.330 1.00 0.00 C +ATOM 54 CA PRO A 54 248.922 278.630 244.940 1.00 0.00 C +ATOM 55 CA VAL A 55 250.504 279.049 248.380 1.00 0.00 C +ATOM 56 CA GLN A 56 248.209 279.673 251.357 1.00 0.00 C +ATOM 57 CA GLN A 57 244.400 279.591 251.312 1.00 0.00 C +ATOM 58 CA LYS A 58 240.741 280.626 251.080 1.00 0.00 C +ATOM 59 CA PRO A 59 236.989 281.032 251.607 1.00 0.00 C +ATOM 60 CA GLN A 60 234.158 278.693 250.593 1.00 0.00 C +ATOM 61 CA THR A 61 233.577 275.209 249.164 1.00 0.00 C +ATOM 62 CA ARG A 62 231.654 272.773 251.373 1.00 0.00 C +ATOM 63 CA GLY A 63 230.377 270.076 253.742 1.00 0.00 C +ATOM 64 CA LEU A 64 228.307 267.458 251.904 1.00 0.00 C +ATOM 65 CA GLU A 65 230.748 265.287 249.944 1.00 0.00 C +ATOM 66 CA GLY A 66 233.685 266.709 247.976 1.00 0.00 C +ATOM 67 CA TYR A 67 237.147 266.727 249.566 1.00 0.00 C +ATOM 68 CA LEU A 68 237.989 264.763 252.721 1.00 0.00 C +ATOM 69 CA SER A 69 235.911 263.206 255.509 1.00 0.00 C +ATOM 70 CA SER A 70 237.945 262.488 258.650 1.00 0.00 C +ATOM 71 CA SER A 71 240.843 261.181 260.749 1.00 0.00 C +ATOM 72 CA SER A 72 243.590 260.672 263.341 1.00 0.00 C +ATOM 73 CA ALA A 73 244.190 260.164 267.069 1.00 0.00 C +ATOM 74 CA PRO A 74 242.935 260.546 270.646 1.00 0.00 C +ATOM 75 CA PRO A 75 242.038 257.574 272.854 1.00 0.00 C +ATOM 76 CA THR A 76 242.824 257.489 276.581 1.00 0.00 C +ATOM 77 CA PRO A 77 240.228 255.742 278.754 1.00 0.00 C +ATOM 78 CA GLN A 78 237.999 254.261 281.466 1.00 0.00 C +ATOM 79 CA ARG A 79 239.070 250.700 282.296 1.00 0.00 C +ATOM 80 CA PRO A 80 239.519 247.049 281.304 1.00 0.00 C +ATOM 81 CA LEU A 81 240.476 244.793 284.222 1.00 0.00 C +ATOM 82 CA SER A 82 239.016 241.281 283.998 1.00 0.00 C +ATOM 83 CA MET A 83 240.086 237.677 284.617 1.00 0.00 C +ATOM 84 CA GLU A 84 242.843 235.870 286.527 1.00 0.00 C +ATOM 85 CA HIS A 85 243.931 233.236 289.056 1.00 0.00 C +ATOM 86 CA GLY A 86 244.476 230.531 291.683 1.00 0.00 C +ATOM 87 CA GLN A 87 247.419 228.418 290.504 1.00 0.00 C +ATOM 88 CA GLN A 88 247.759 225.312 292.686 1.00 0.00 C +ATOM 89 CA GLU A 89 246.169 224.370 296.017 1.00 0.00 C +ATOM 90 CA VAL A 90 242.968 223.342 297.810 1.00 0.00 C +ATOM 91 CA GLN A 91 239.665 222.558 299.539 1.00 0.00 C +ATOM 92 CA PRO A 92 235.898 222.683 298.982 1.00 0.00 C +ATOM 93 CA GLY A 93 233.474 223.487 301.809 1.00 0.00 C +ATOM 94 CA ILE A 94 230.827 226.064 302.742 1.00 0.00 C +ATOM 95 CA PRO A 95 230.644 229.378 300.871 1.00 0.00 C +ATOM 96 CA LEU A 96 231.228 232.837 302.358 1.00 0.00 C +ATOM 97 CA VAL A 97 234.021 235.058 303.693 1.00 0.00 C +ATOM 98 CA ARG A 98 237.023 235.523 301.394 1.00 0.00 C +ATOM 99 CA ASN A 99 238.814 235.173 298.049 1.00 0.00 C +TER 100 ASN A 99 +END diff --git a/Fungi/A0A9Q3HJY8/A0A9Q3HJY8.dcd b/Fungi/A0A9Q3HJY8/A0A9Q3HJY8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d6425cf827e5d5a14f62be601999d6e8a18cd47b --- /dev/null +++ b/Fungi/A0A9Q3HJY8/A0A9Q3HJY8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:34c88bb6f32d0cb489de2e3942980150b63bd056593d7e0b97c404025bbe04f0 +size 8720276 diff --git a/Fungi/A0A9Q3HJY8/top.pdb b/Fungi/A0A9Q3HJY8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9b175a0475b248ca564276ff8e5fb6ab526b8da7 --- /dev/null +++ b/Fungi/A0A9Q3HJY8/top.pdb @@ -0,0 +1,70 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 220.727 254.622 275.451 1.00 0.00 C +ATOM 2 CA LYS A 2 223.820 253.957 273.328 1.00 0.00 C +ATOM 3 CA PRO A 3 225.915 254.413 270.179 1.00 0.00 C +ATOM 4 CA GLN A 4 225.570 255.015 266.433 1.00 0.00 C +ATOM 5 CA PRO A 5 228.643 257.079 265.530 1.00 0.00 C +ATOM 6 CA GLN A 6 232.280 257.280 264.415 1.00 0.00 C +ATOM 7 CA GLY A 7 234.358 259.482 262.101 1.00 0.00 C +ATOM 8 CA HIS A 8 234.789 263.239 262.565 1.00 0.00 C +ATOM 9 CA ALA A 9 232.791 266.107 264.081 1.00 0.00 C +ATOM 10 CA LEU A 10 229.604 268.170 264.404 1.00 0.00 C +ATOM 11 CA ASP A 11 227.030 266.524 262.128 1.00 0.00 C +ATOM 12 CA ASP A 12 224.957 268.217 259.416 1.00 0.00 C +ATOM 13 CA PRO A 13 221.892 268.478 257.167 1.00 0.00 C +ATOM 14 CA TYR A 14 223.303 268.518 253.628 1.00 0.00 C +ATOM 15 CA HIS A 15 221.980 267.778 250.133 1.00 0.00 C +ATOM 16 CA GLN A 16 223.214 269.400 246.913 1.00 0.00 C +ATOM 17 CA GLU A 17 222.872 267.233 243.798 1.00 0.00 C +ATOM 18 CA ASP A 18 223.158 263.629 242.598 1.00 0.00 C +ATOM 19 CA ILE A 19 222.414 260.592 244.776 1.00 0.00 C +ATOM 20 CA LYS A 20 223.311 258.681 247.948 1.00 0.00 C +ATOM 21 CA PRO A 21 223.268 254.959 248.763 1.00 0.00 C +ATOM 22 CA ASP A 22 224.918 251.776 250.051 1.00 0.00 C +ATOM 23 CA ALA A 23 225.752 249.580 253.051 1.00 0.00 C +ATOM 24 CA LEU A 24 227.084 247.095 255.613 1.00 0.00 C +ATOM 25 CA LEU A 25 230.719 246.208 256.332 1.00 0.00 C +ATOM 26 CA GLY A 26 233.761 244.155 255.307 1.00 0.00 C +ATOM 27 CA ASN A 27 236.043 242.656 252.650 1.00 0.00 C +ATOM 28 CA LYS A 28 236.289 242.330 248.862 1.00 0.00 C +ATOM 29 CA ALA A 29 237.090 239.458 246.490 1.00 0.00 C +ATOM 30 CA ARG A 30 238.369 236.528 248.563 1.00 0.00 C +ATOM 31 CA SER A 31 239.055 233.150 250.188 1.00 0.00 C +ATOM 32 CA PRO A 32 238.961 230.583 247.374 1.00 0.00 C +ATOM 33 CA SER A 33 239.438 229.552 243.737 1.00 0.00 C +ATOM 34 CA HIS A 34 243.019 230.331 242.695 1.00 0.00 C +ATOM 35 CA TYR A 35 243.599 233.179 240.232 1.00 0.00 C +ATOM 36 CA GLN A 36 247.360 233.783 240.285 1.00 0.00 C +ATOM 37 CA ASP A 37 249.309 236.594 238.606 1.00 0.00 C +ATOM 38 CA GLY A 38 250.368 239.612 240.677 1.00 0.00 C +ATOM 39 CA ASP A 39 253.671 239.011 242.479 1.00 0.00 C +ATOM 40 CA ASN A 40 255.512 241.573 244.616 1.00 0.00 C +ATOM 41 CA MET A 41 258.012 243.350 242.355 1.00 0.00 C +ATOM 42 CA SER A 42 258.743 242.224 238.789 1.00 0.00 C +ATOM 43 CA TYR A 43 260.897 239.083 238.674 1.00 0.00 C +ATOM 44 CA SER A 44 264.298 238.314 237.140 1.00 0.00 C +ATOM 45 CA GLU A 45 267.158 237.609 239.558 1.00 0.00 C +ATOM 46 CA LYS A 46 269.303 240.484 240.842 1.00 0.00 C +ATOM 47 CA GLU A 47 272.662 241.551 242.289 1.00 0.00 C +ATOM 48 CA ALA A 48 276.101 241.107 243.867 1.00 0.00 C +ATOM 49 CA LEU A 49 278.651 242.953 246.013 1.00 0.00 C +ATOM 50 CA GLU A 50 280.478 242.404 249.312 1.00 0.00 C +ATOM 51 CA LYS A 51 279.905 243.191 252.995 1.00 0.00 C +ATOM 52 CA LEU A 52 278.878 245.890 255.480 1.00 0.00 C +ATOM 53 CA PRO A 53 280.178 249.422 256.078 1.00 0.00 C +ATOM 54 CA LYS A 54 281.551 252.392 254.126 1.00 0.00 C +ATOM 55 CA ALA A 55 283.293 255.333 252.443 1.00 0.00 C +ATOM 56 CA SER A 56 283.419 258.557 250.417 1.00 0.00 C +ATOM 57 CA SER A 57 283.504 262.035 248.865 1.00 0.00 C +ATOM 58 CA TRP A 58 281.937 262.387 245.410 1.00 0.00 C +ATOM 59 CA PRO A 59 283.977 260.260 242.996 1.00 0.00 C +ATOM 60 CA LYS A 60 281.901 258.596 240.269 1.00 0.00 C +ATOM 61 CA PHE A 61 279.061 256.393 241.533 1.00 0.00 C +ATOM 62 CA SER A 62 280.685 253.033 242.302 1.00 0.00 C +ATOM 63 CA VAL A 63 283.276 250.242 242.420 1.00 0.00 C +ATOM 64 CA THR A 64 283.341 246.986 244.398 1.00 0.00 C +ATOM 65 CA GLY A 65 286.074 244.401 245.002 1.00 0.00 C +ATOM 66 CA ALA A 66 286.503 241.277 242.863 1.00 0.00 C +TER 67 ALA A 66 +END diff --git a/Fungi/A0A9Q3I898/A0A9Q3I898.dcd b/Fungi/A0A9Q3I898/A0A9Q3I898.dcd new file mode 100644 index 0000000000000000000000000000000000000000..fcecc54905514d0e8b73db5668c02f9268a1299e --- /dev/null +++ b/Fungi/A0A9Q3I898/A0A9Q3I898.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:059a1fb9c0f2c215c0975d13e0bb8560a9a5c4e0dd06ebefe87a21f1e8ac2746 +size 20480276 diff --git a/Fungi/A0A9Q3I898/top.pdb b/Fungi/A0A9Q3I898/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4635f270fb8844bdf101699d946253dcd38c0789 --- /dev/null +++ b/Fungi/A0A9Q3I898/top.pdb @@ -0,0 +1,168 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 276.311 280.590 205.892 1.00 0.00 C +ATOM 2 CA PRO A 2 278.154 277.257 205.815 1.00 0.00 C +ATOM 3 CA VAL A 3 281.855 276.357 205.932 1.00 0.00 C +ATOM 4 CA GLN A 4 284.248 274.521 208.259 1.00 0.00 C +ATOM 5 CA HIS A 5 284.766 275.645 211.863 1.00 0.00 C +ATOM 6 CA SER A 6 283.134 279.000 212.637 1.00 0.00 C +ATOM 7 CA PRO A 7 279.887 278.444 214.550 1.00 0.00 C +ATOM 8 CA PRO A 8 276.272 278.762 215.709 1.00 0.00 C +ATOM 9 CA ALA A 9 275.922 282.103 217.506 1.00 0.00 C +ATOM 10 CA LYS A 10 273.335 284.823 218.155 1.00 0.00 C +ATOM 11 CA ASN A 11 269.886 285.159 219.738 1.00 0.00 C +ATOM 12 CA THR A 12 267.154 284.409 217.191 1.00 0.00 C +ATOM 13 CA ARG A 13 266.125 280.745 217.020 1.00 0.00 C +ATOM 14 CA SER A 14 267.642 278.220 214.603 1.00 0.00 C +ATOM 15 CA LEU A 15 269.973 277.735 211.628 1.00 0.00 C +ATOM 16 CA ARG A 16 269.946 279.895 208.490 1.00 0.00 C +ATOM 17 CA HIS A 17 267.314 282.182 206.955 1.00 0.00 C +ATOM 18 CA PRO A 18 264.143 281.657 204.908 1.00 0.00 C +ATOM 19 CA ALA A 19 261.589 284.410 204.263 1.00 0.00 C +ATOM 20 CA VAL A 20 258.013 284.894 205.485 1.00 0.00 C +ATOM 21 CA LEU A 21 254.855 284.341 203.427 1.00 0.00 C +ATOM 22 CA THR A 22 255.263 281.299 201.170 1.00 0.00 C +ATOM 23 CA PRO A 23 253.978 279.603 198.009 1.00 0.00 C +ATOM 24 CA LYS A 24 251.537 277.490 195.986 1.00 0.00 C +ATOM 25 CA ALA A 25 250.680 273.949 194.872 1.00 0.00 C +ATOM 26 CA ARG A 26 253.710 271.798 194.029 1.00 0.00 C +ATOM 27 CA ALA A 27 253.973 271.587 190.234 1.00 0.00 C +ATOM 28 CA SER A 28 251.332 270.482 187.720 1.00 0.00 C +ATOM 29 CA LEU A 29 247.526 270.453 187.886 1.00 0.00 C +ATOM 30 CA ASP A 30 245.524 273.663 188.337 1.00 0.00 C +ATOM 31 CA TYR A 31 242.860 273.893 191.051 1.00 0.00 C +ATOM 32 CA THR A 32 239.445 273.944 192.740 1.00 0.00 C +ATOM 33 CA PRO A 33 237.837 271.605 195.282 1.00 0.00 C +ATOM 34 CA SER A 34 235.146 273.250 197.420 1.00 0.00 C +ATOM 35 CA VAL A 35 237.011 275.678 199.687 1.00 0.00 C +ATOM 36 CA HIS A 36 237.174 278.165 202.569 1.00 0.00 C +ATOM 37 CA GLN A 37 240.599 278.755 204.130 1.00 0.00 C +ATOM 38 CA LEU A 38 243.479 277.046 205.947 1.00 0.00 C +ATOM 39 CA SER A 39 245.254 276.387 209.254 1.00 0.00 C +ATOM 40 CA ALA A 40 246.445 274.288 212.202 1.00 0.00 C +ATOM 41 CA ASN A 41 249.975 273.965 213.600 1.00 0.00 C +ATOM 42 CA LEU A 42 252.261 273.565 210.578 1.00 0.00 C +ATOM 43 CA ASP A 43 252.977 271.003 207.850 1.00 0.00 C +ATOM 44 CA ARG A 44 255.114 272.272 204.962 1.00 0.00 C +ATOM 45 CA VAL A 45 256.402 272.343 201.377 1.00 0.00 C +ATOM 46 CA SER A 46 257.223 268.719 200.537 1.00 0.00 C +ATOM 47 CA PRO A 47 257.541 265.890 203.070 1.00 0.00 C +ATOM 48 CA MET A 48 256.185 265.271 206.576 1.00 0.00 C +ATOM 49 CA GLU A 49 256.767 263.084 209.641 1.00 0.00 C +ATOM 50 CA GLY A 50 256.573 265.302 212.732 1.00 0.00 C +ATOM 51 CA ALA A 51 256.640 266.286 216.412 1.00 0.00 C +ATOM 52 CA ALA A 52 259.076 266.819 219.293 1.00 0.00 C +ATOM 53 CA PRO A 53 258.977 267.384 223.059 1.00 0.00 C +ATOM 54 CA SER A 54 256.898 269.270 225.635 1.00 0.00 C +ATOM 55 CA ARG A 55 255.689 271.731 228.280 1.00 0.00 C +ATOM 56 CA ARG A 56 254.553 270.696 231.766 1.00 0.00 C +ATOM 57 CA GLY A 57 253.864 268.615 234.882 1.00 0.00 C +ATOM 58 CA ASP A 58 251.661 265.540 234.428 1.00 0.00 C +ATOM 59 CA MET A 59 250.212 262.151 233.462 1.00 0.00 C +ATOM 60 CA LYS A 60 251.242 259.798 236.276 1.00 0.00 C +ATOM 61 CA SER A 61 253.041 256.660 235.081 1.00 0.00 C +ATOM 62 CA ARG A 62 250.830 253.663 234.278 1.00 0.00 C +ATOM 63 CA ARG A 63 247.140 254.346 234.936 1.00 0.00 C +ATOM 64 CA SER A 64 246.077 254.714 238.576 1.00 0.00 C +ATOM 65 CA ARG A 65 247.487 254.968 242.106 1.00 0.00 C +ATOM 66 CA SER A 66 250.383 256.424 244.110 1.00 0.00 C +ATOM 67 CA PHE A 67 252.887 258.767 242.449 1.00 0.00 C +ATOM 68 CA SER A 68 256.582 259.475 243.046 1.00 0.00 C +ATOM 69 CA GLY A 69 259.848 257.739 243.961 1.00 0.00 C +ATOM 70 CA LEU A 70 263.606 257.307 244.421 1.00 0.00 C +ATOM 71 CA LEU A 71 265.701 254.135 244.169 1.00 0.00 C +ATOM 72 CA GLY A 72 267.606 253.568 247.419 1.00 0.00 C +ATOM 73 CA GLY A 73 269.823 253.355 250.510 1.00 0.00 C +ATOM 74 CA TYR A 74 269.271 254.178 254.189 1.00 0.00 C +ATOM 75 CA PRO A 75 270.201 255.457 257.655 1.00 0.00 C +ATOM 76 CA SER A 76 272.607 254.363 260.400 1.00 0.00 C +ATOM 77 CA ILE A 77 271.581 256.326 263.499 1.00 0.00 C +ATOM 78 CA SER A 78 269.084 258.384 265.511 1.00 0.00 C +ATOM 79 CA GLN A 79 266.164 258.885 263.116 1.00 0.00 C +ATOM 80 CA GLY A 80 264.346 256.972 260.368 1.00 0.00 C +ATOM 81 CA SER A 81 263.975 253.441 258.984 1.00 0.00 C +ATOM 82 CA ARG A 82 265.008 249.800 259.416 1.00 0.00 C +ATOM 83 CA SER A 83 263.092 247.902 256.725 1.00 0.00 C +ATOM 84 CA ARG A 84 259.344 248.007 256.047 1.00 0.00 C +ATOM 85 CA SER A 85 257.271 246.474 258.852 1.00 0.00 C +ATOM 86 CA GLY A 86 254.198 245.656 260.951 1.00 0.00 C +ATOM 87 CA GLY A 87 250.909 246.027 262.838 1.00 0.00 C +ATOM 88 CA ASP A 88 248.950 242.855 263.624 1.00 0.00 C +ATOM 89 CA GLU A 89 245.326 242.774 264.796 1.00 0.00 C +ATOM 90 CA ASP A 90 242.271 240.498 264.856 1.00 0.00 C +ATOM 91 CA GLU A 91 242.424 236.849 263.772 1.00 0.00 C +ATOM 92 CA GLU A 92 239.725 235.356 261.534 1.00 0.00 C +ATOM 93 CA GLY A 93 237.151 233.689 263.794 1.00 0.00 C +ATOM 94 CA GLU A 94 235.365 230.446 262.894 1.00 0.00 C +ATOM 95 CA GLU A 95 233.347 227.837 264.799 1.00 0.00 C +ATOM 96 CA SER A 96 234.418 227.599 268.448 1.00 0.00 C +ATOM 97 CA GLU A 97 234.495 226.733 272.157 1.00 0.00 C +ATOM 98 CA GLU A 98 231.673 227.690 274.532 1.00 0.00 C +ATOM 99 CA THR A 99 229.090 230.314 273.552 1.00 0.00 C +ATOM 100 CA GLU A 100 227.191 229.059 270.496 1.00 0.00 C +ATOM 101 CA VAL A 101 227.841 226.298 267.953 1.00 0.00 C +ATOM 102 CA ALA A 102 226.605 222.754 268.607 1.00 0.00 C +ATOM 103 CA ALA A 103 223.374 222.465 266.608 1.00 0.00 C +ATOM 104 CA ALA A 104 220.265 224.391 265.540 1.00 0.00 C +ATOM 105 CA PHE A 105 218.204 226.606 267.856 1.00 0.00 C +ATOM 106 CA ALA A 106 216.560 229.971 267.154 1.00 0.00 C +ATOM 107 CA GLY A 107 214.238 232.853 268.057 1.00 0.00 C +ATOM 108 CA ALA A 108 214.549 236.002 270.180 1.00 0.00 C +ATOM 109 CA PRO A 109 217.951 237.536 270.948 1.00 0.00 C +ATOM 110 CA GLU A 110 221.578 238.262 271.863 1.00 0.00 C +ATOM 111 CA ALA A 111 223.208 236.517 274.832 1.00 0.00 C +ATOM 112 CA SER A 112 224.233 238.599 277.853 1.00 0.00 C +ATOM 113 CA GLU A 113 227.707 237.441 278.906 1.00 0.00 C +ATOM 114 CA THR A 114 230.128 240.161 277.784 1.00 0.00 C +ATOM 115 CA PRO A 115 233.875 239.974 278.452 1.00 0.00 C +ATOM 116 CA ASN A 116 236.646 242.416 279.385 1.00 0.00 C +ATOM 117 CA VAL A 117 239.328 240.435 281.228 1.00 0.00 C +ATOM 118 CA GLY A 118 241.646 237.930 282.921 1.00 0.00 C +ATOM 119 CA PRO A 119 244.066 236.466 280.368 1.00 0.00 C +ATOM 120 CA SER A 120 244.509 238.213 277.011 1.00 0.00 C +ATOM 121 CA ASN A 121 243.507 241.038 274.659 1.00 0.00 C +ATOM 122 CA GLN A 122 246.177 243.368 273.260 1.00 0.00 C +ATOM 123 CA PRO A 123 245.066 246.990 273.667 1.00 0.00 C +ATOM 124 CA LEU A 124 245.567 250.005 271.392 1.00 0.00 C +ATOM 125 CA VAL A 125 248.768 251.485 269.951 1.00 0.00 C +ATOM 126 CA SER A 126 251.715 250.227 267.890 1.00 0.00 C +ATOM 127 CA GLN A 127 255.379 250.319 268.928 1.00 0.00 C +ATOM 128 CA PRO A 128 257.219 248.208 271.511 1.00 0.00 C +ATOM 129 CA GLU A 129 259.499 245.164 271.740 1.00 0.00 C +ATOM 130 CA GLN A 130 259.051 243.170 274.955 1.00 0.00 C +ATOM 131 CA ASN A 131 259.616 241.160 278.143 1.00 0.00 C +ATOM 132 CA PHE A 132 260.662 238.512 280.674 1.00 0.00 C +ATOM 133 CA LEU A 133 258.597 236.595 283.239 1.00 0.00 C +ATOM 134 CA LYS A 134 255.267 235.007 284.191 1.00 0.00 C +ATOM 135 CA MET A 135 253.796 231.563 284.893 1.00 0.00 C +ATOM 136 CA MET A 136 253.170 230.263 288.419 1.00 0.00 C +ATOM 137 CA GLU A 137 251.659 226.842 289.145 1.00 0.00 C +ATOM 138 CA GLN A 138 253.069 224.588 291.874 1.00 0.00 C +ATOM 139 CA MET A 139 251.296 221.267 292.460 1.00 0.00 C +ATOM 140 CA THR A 140 252.580 218.720 294.987 1.00 0.00 C +ATOM 141 CA GLN A 141 252.928 216.396 297.986 1.00 0.00 C +ATOM 142 CA LEU A 142 250.216 214.915 300.214 1.00 0.00 C +ATOM 143 CA MET A 143 247.822 217.716 301.184 1.00 0.00 C +ATOM 144 CA GLY A 144 245.855 220.905 300.494 1.00 0.00 C +ATOM 145 CA GLN A 145 242.779 221.545 298.340 1.00 0.00 C +ATOM 146 CA LEU A 146 240.525 220.737 295.376 1.00 0.00 C +ATOM 147 CA THR A 147 241.212 223.185 292.538 1.00 0.00 C +ATOM 148 CA LYS A 148 239.538 223.138 289.116 1.00 0.00 C +ATOM 149 CA GLU A 149 238.468 219.721 287.812 1.00 0.00 C +ATOM 150 CA VAL A 150 240.274 216.632 289.121 1.00 0.00 C +ATOM 151 CA SER A 151 243.712 215.814 290.546 1.00 0.00 C +ATOM 152 CA PRO A 152 246.667 214.157 292.289 1.00 0.00 C +ATOM 153 CA ARG A 153 245.820 210.933 294.134 1.00 0.00 C +ATOM 154 CA ASP A 154 245.457 207.959 296.489 1.00 0.00 C +ATOM 155 CA THR A 155 242.071 207.742 298.221 1.00 0.00 C +ATOM 156 CA SER A 156 238.895 207.787 300.326 1.00 0.00 C +ATOM 157 CA ARG A 157 236.778 208.770 303.337 1.00 0.00 C +ATOM 158 CA ALA A 158 238.604 209.738 306.538 1.00 0.00 C +ATOM 159 CA PRO A 159 241.072 212.621 306.204 1.00 0.00 C +ATOM 160 CA ALA A 160 241.171 216.419 306.490 1.00 0.00 C +ATOM 161 CA PHE A 161 239.815 218.592 303.669 1.00 0.00 C +ATOM 162 CA ASN A 162 237.470 218.894 300.681 1.00 0.00 C +ATOM 163 CA THR A 163 233.892 218.208 301.794 1.00 0.00 C +ATOM 164 CA LEU A 164 232.169 214.810 301.777 1.00 0.00 C +TER 165 LEU A 164 +END diff --git a/Fungi/A0A9Q3K4C8/A0A9Q3K4C8.dcd b/Fungi/A0A9Q3K4C8/A0A9Q3K4C8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c938ee9d5bf33bac2f299f08ba1530f7ebc0691b --- /dev/null +++ b/Fungi/A0A9Q3K4C8/A0A9Q3K4C8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2a97c25064176b35958d9c50c06f403b9cc7d4cec4eec4e010efee7947c2cbf6 +size 9080276 diff --git a/Fungi/A0A9Q3K4C8/top.pdb b/Fungi/A0A9Q3K4C8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d319303fb9ee3c7e10bbf0d6313a7c8e5c975c4f --- /dev/null +++ b/Fungi/A0A9Q3K4C8/top.pdb @@ -0,0 +1,73 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 253.231 239.947 270.023 1.00 0.00 C +ATOM 2 CA SER A 2 252.035 237.724 267.168 1.00 0.00 C +ATOM 3 CA PRO A 3 252.296 233.938 267.508 1.00 0.00 C +ATOM 4 CA THR A 4 249.163 232.649 269.251 1.00 0.00 C +ATOM 5 CA GLN A 5 246.059 234.585 268.188 1.00 0.00 C +ATOM 6 CA MET A 6 242.359 234.739 269.086 1.00 0.00 C +ATOM 7 CA GLU A 7 239.682 237.401 268.571 1.00 0.00 C +ATOM 8 CA THR A 8 236.359 235.763 267.682 1.00 0.00 C +ATOM 9 CA ASN A 9 237.117 232.424 266.009 1.00 0.00 C +ATOM 10 CA ASP A 10 235.585 232.540 262.523 1.00 0.00 C +ATOM 11 CA GLU A 11 235.636 235.367 259.968 1.00 0.00 C +ATOM 12 CA PRO A 12 235.996 238.865 258.502 1.00 0.00 C +ATOM 13 CA ARG A 13 234.599 241.819 260.462 1.00 0.00 C +ATOM 14 CA ARG A 14 234.001 244.203 263.373 1.00 0.00 C +ATOM 15 CA ASP A 15 231.572 246.950 264.409 1.00 0.00 C +ATOM 16 CA ASN A 16 232.457 250.535 263.468 1.00 0.00 C +ATOM 17 CA PHE A 17 234.366 252.865 261.135 1.00 0.00 C +ATOM 18 CA THR A 18 231.723 255.123 259.576 1.00 0.00 C +ATOM 19 CA ALA A 19 231.200 254.934 255.807 1.00 0.00 C +ATOM 20 CA HIS A 20 231.660 252.072 253.334 1.00 0.00 C +ATOM 21 CA GLU A 21 233.676 251.481 250.155 1.00 0.00 C +ATOM 22 CA HIS A 22 232.573 248.200 248.562 1.00 0.00 C +ATOM 23 CA GLY A 23 231.981 244.612 247.426 1.00 0.00 C +ATOM 24 CA THR A 24 234.552 243.009 245.115 1.00 0.00 C +ATOM 25 CA GLN A 25 236.662 240.621 243.028 1.00 0.00 C +ATOM 26 CA SER A 26 236.302 239.821 239.320 1.00 0.00 C +ATOM 27 CA ASN A 27 235.159 241.904 236.342 1.00 0.00 C +ATOM 28 CA ASN A 28 238.129 243.913 235.054 1.00 0.00 C +ATOM 29 CA GLU A 29 241.516 242.752 236.356 1.00 0.00 C +ATOM 30 CA PHE A 30 243.664 241.128 239.051 1.00 0.00 C +ATOM 31 CA THR A 31 246.586 238.693 238.828 1.00 0.00 C +ATOM 32 CA HIS A 32 249.560 240.017 240.808 1.00 0.00 C +ATOM 33 CA PRO A 33 252.539 241.612 242.568 1.00 0.00 C +ATOM 34 CA LYS A 34 255.786 241.427 244.552 1.00 0.00 C +ATOM 35 CA MET A 35 258.384 238.851 243.489 1.00 0.00 C +ATOM 36 CA CYS A 36 261.076 240.518 241.370 1.00 0.00 C +ATOM 37 CA LEU A 37 259.963 243.025 238.725 1.00 0.00 C +ATOM 38 CA ASP A 38 259.693 242.493 234.962 1.00 0.00 C +ATOM 39 CA GLN A 39 260.431 245.675 233.001 1.00 0.00 C +ATOM 40 CA SER A 40 262.432 246.445 229.851 1.00 0.00 C +ATOM 41 CA MET A 41 264.821 246.980 226.932 1.00 0.00 C +ATOM 42 CA LEU A 42 267.605 249.104 225.432 1.00 0.00 C +ATOM 43 CA GLU A 43 271.015 247.945 226.675 1.00 0.00 C +ATOM 44 CA GLN A 44 273.190 251.070 226.542 1.00 0.00 C +ATOM 45 CA SER A 45 272.692 252.803 229.898 1.00 0.00 C +ATOM 46 CA GLU A 46 274.420 251.821 233.149 1.00 0.00 C +ATOM 47 CA VAL A 47 274.012 252.813 236.805 1.00 0.00 C +ATOM 48 CA ARG A 48 272.994 251.310 240.154 1.00 0.00 C +ATOM 49 CA GLN A 49 269.414 250.947 241.407 1.00 0.00 C +ATOM 50 CA GLN A 50 266.806 252.008 238.840 1.00 0.00 C +ATOM 51 CA ARG A 51 263.508 253.385 237.519 1.00 0.00 C +ATOM 52 CA SER A 52 260.757 255.370 239.252 1.00 0.00 C +ATOM 53 CA GLN A 53 259.421 256.886 242.482 1.00 0.00 C +ATOM 54 CA ALA A 54 259.588 260.113 244.501 1.00 0.00 C +ATOM 55 CA CYS A 55 256.871 262.670 245.274 1.00 0.00 C +ATOM 56 CA LYS A 56 253.187 263.307 246.011 1.00 0.00 C +ATOM 57 CA ALA A 57 249.674 262.398 247.171 1.00 0.00 C +ATOM 58 CA HIS A 58 248.568 260.266 250.129 1.00 0.00 C +ATOM 59 CA ASN A 59 246.274 262.196 252.479 1.00 0.00 C +ATOM 60 CA VAL A 60 247.081 262.886 256.138 1.00 0.00 C +ATOM 61 CA ALA A 61 247.620 265.680 258.672 1.00 0.00 C +ATOM 62 CA LYS A 62 249.977 265.257 261.636 1.00 0.00 C +ATOM 63 CA ARG A 63 251.772 268.071 263.474 1.00 0.00 C +ATOM 64 CA GLU A 64 253.556 271.066 261.938 1.00 0.00 C +ATOM 65 CA SER A 65 254.466 274.651 262.852 1.00 0.00 C +ATOM 66 CA GLN A 66 256.536 275.560 265.919 1.00 0.00 C +ATOM 67 CA LYS A 67 255.826 278.694 267.966 1.00 0.00 C +ATOM 68 CA GLU A 68 259.171 280.512 268.107 1.00 0.00 C +ATOM 69 CA LYS A 69 261.415 283.591 268.041 1.00 0.00 C +TER 70 LYS A 69 +END diff --git a/Fungi/A0A9Q3KA89/A0A9Q3KA89.dcd b/Fungi/A0A9Q3KA89/A0A9Q3KA89.dcd new file mode 100644 index 0000000000000000000000000000000000000000..74350a7e8fcaf14895178c51f9fa6de224e18aae --- /dev/null +++ b/Fungi/A0A9Q3KA89/A0A9Q3KA89.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9267dd3c5ddeb9d668902b1726d236ecedc876ad5dafc917da6ded063d00057d +size 11360276 diff --git a/Fungi/A0A9Q3KA89/top.pdb b/Fungi/A0A9Q3KA89/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d69ba33dfbe37f8024bf60ec7db583fbbed04651 --- /dev/null +++ b/Fungi/A0A9Q3KA89/top.pdb @@ -0,0 +1,92 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 224.848 291.810 236.227 1.00 0.00 C +ATOM 2 CA THR A 2 224.468 294.204 239.166 1.00 0.00 C +ATOM 3 CA GLU A 3 227.713 294.033 241.155 1.00 0.00 C +ATOM 4 CA ALA A 4 230.874 295.479 239.595 1.00 0.00 C +ATOM 5 CA THR A 5 234.142 293.521 239.665 1.00 0.00 C +ATOM 6 CA PRO A 6 237.468 292.044 240.791 1.00 0.00 C +ATOM 7 CA ASN A 7 237.225 288.386 241.829 1.00 0.00 C +ATOM 8 CA SER A 8 236.628 285.282 239.702 1.00 0.00 C +ATOM 9 CA LEU A 9 238.319 282.144 238.357 1.00 0.00 C +ATOM 10 CA VAL A 10 241.977 281.582 239.263 1.00 0.00 C +ATOM 11 CA THR A 11 245.275 280.651 240.928 1.00 0.00 C +ATOM 12 CA THR A 12 246.114 279.366 244.415 1.00 0.00 C +ATOM 13 CA TYR A 13 245.099 276.953 247.183 1.00 0.00 C +ATOM 14 CA GLU A 14 242.391 274.322 247.696 1.00 0.00 C +ATOM 15 CA GLY A 15 239.560 272.866 245.603 1.00 0.00 C +ATOM 16 CA PRO A 16 236.589 274.975 244.489 1.00 0.00 C +ATOM 17 CA SER A 17 233.027 274.326 245.675 1.00 0.00 C +ATOM 18 CA ARG A 18 230.607 272.633 243.268 1.00 0.00 C +ATOM 19 CA LEU A 19 230.326 269.286 241.469 1.00 0.00 C +ATOM 20 CA LEU A 20 231.385 265.997 243.075 1.00 0.00 C +ATOM 21 CA PHE A 21 230.448 265.591 246.745 1.00 0.00 C +ATOM 22 CA HIS A 22 229.229 262.399 248.431 1.00 0.00 C +ATOM 23 CA GLN A 23 228.953 259.135 246.486 1.00 0.00 C +ATOM 24 CA ASP A 24 229.671 255.967 244.494 1.00 0.00 C +ATOM 25 CA ASP A 25 229.278 252.856 246.658 1.00 0.00 C +ATOM 26 CA MET A 26 227.768 249.973 244.678 1.00 0.00 C +ATOM 27 CA PRO A 27 228.269 249.595 240.920 1.00 0.00 C +ATOM 28 CA GLU A 28 225.367 248.328 238.800 1.00 0.00 C +ATOM 29 CA SER A 29 224.146 248.605 235.202 1.00 0.00 C +ATOM 30 CA PRO A 30 224.735 252.149 233.931 1.00 0.00 C +ATOM 31 CA ASN A 31 227.208 251.819 231.052 1.00 0.00 C +ATOM 32 CA SER A 32 230.647 253.428 230.736 1.00 0.00 C +ATOM 33 CA PRO A 33 234.456 253.459 230.855 1.00 0.00 C +ATOM 34 CA THR A 34 237.546 254.882 232.570 1.00 0.00 C +ATOM 35 CA PHE A 35 237.492 257.065 235.692 1.00 0.00 C +ATOM 36 CA ASN A 36 239.170 259.917 237.581 1.00 0.00 C +ATOM 37 CA ARG A 37 242.020 260.502 240.042 1.00 0.00 C +ATOM 38 CA ASN A 38 245.058 258.305 239.361 1.00 0.00 C +ATOM 39 CA HIS A 39 247.566 255.817 240.786 1.00 0.00 C +ATOM 40 CA ARG A 40 249.196 253.885 237.935 1.00 0.00 C +ATOM 41 CA ASP A 41 249.520 250.162 238.676 1.00 0.00 C +ATOM 42 CA LYS A 42 250.845 246.735 239.686 1.00 0.00 C +ATOM 43 CA SER A 43 253.957 245.497 241.504 1.00 0.00 C +ATOM 44 CA ILE A 44 253.147 243.389 244.572 1.00 0.00 C +ATOM 45 CA ILE A 45 250.906 240.404 245.338 1.00 0.00 C +ATOM 46 CA SER A 46 248.271 237.810 246.255 1.00 0.00 C +ATOM 47 CA ILE A 47 247.711 237.837 250.023 1.00 0.00 C +ATOM 48 CA SER A 48 249.931 237.311 253.075 1.00 0.00 C +ATOM 49 CA GLU A 49 250.938 234.126 254.907 1.00 0.00 C +ATOM 50 CA THR A 50 248.846 232.121 257.381 1.00 0.00 C +ATOM 51 CA GLN A 51 245.765 232.175 259.621 1.00 0.00 C +ATOM 52 CA MET A 52 246.965 233.659 262.919 1.00 0.00 C +ATOM 53 CA GLU A 53 248.744 233.600 266.287 1.00 0.00 C +ATOM 54 CA SER A 54 248.031 233.158 270.004 1.00 0.00 C +ATOM 55 CA GLN A 55 248.022 233.998 273.720 1.00 0.00 C +ATOM 56 CA GLU A 56 251.429 235.596 274.314 1.00 0.00 C +ATOM 57 CA THR A 57 255.219 235.946 274.142 1.00 0.00 C +ATOM 58 CA MET A 58 258.480 237.568 273.022 1.00 0.00 C +ATOM 59 CA GLU A 59 262.053 236.450 272.319 1.00 0.00 C +ATOM 60 CA GLU A 60 264.358 234.276 270.202 1.00 0.00 C +ATOM 61 CA THR A 61 265.702 230.886 269.099 1.00 0.00 C +ATOM 62 CA PRO A 62 266.937 229.791 265.666 1.00 0.00 C +ATOM 63 CA SER A 63 268.945 229.065 262.510 1.00 0.00 C +ATOM 64 CA GLN A 64 271.032 229.249 259.327 1.00 0.00 C +ATOM 65 CA ALA A 65 273.830 231.785 259.828 1.00 0.00 C +ATOM 66 CA SER A 66 275.002 234.549 262.174 1.00 0.00 C +ATOM 67 CA GLY A 67 274.564 237.760 264.177 1.00 0.00 C +ATOM 68 CA GLN A 68 275.568 240.968 265.971 1.00 0.00 C +ATOM 69 CA GLN A 69 277.357 244.198 266.910 1.00 0.00 C +ATOM 70 CA ARG A 70 280.034 246.142 265.021 1.00 0.00 C +ATOM 71 CA LYS A 71 282.097 247.192 261.995 1.00 0.00 C +ATOM 72 CA ARG A 72 279.987 246.404 258.922 1.00 0.00 C +ATOM 73 CA GLN A 73 277.564 243.495 259.345 1.00 0.00 C +ATOM 74 CA MET A 74 275.375 240.619 258.139 1.00 0.00 C +ATOM 75 CA HIS A 75 273.831 240.434 254.660 1.00 0.00 C +ATOM 76 CA GLU A 76 273.437 236.878 253.350 1.00 0.00 C +ATOM 77 CA GLU A 77 272.433 234.442 250.598 1.00 0.00 C +ATOM 78 CA ALA A 78 273.677 230.946 249.734 1.00 0.00 C +ATOM 79 CA GLN A 79 271.290 228.069 249.000 1.00 0.00 C +ATOM 80 CA LEU A 80 267.866 229.699 248.637 1.00 0.00 C +ATOM 81 CA HIS A 81 265.156 230.803 251.078 1.00 0.00 C +ATOM 82 CA TRP A 82 264.653 228.940 254.363 1.00 0.00 C +ATOM 83 CA LYS A 83 263.245 225.400 254.289 1.00 0.00 C +ATOM 84 CA LYS A 84 265.169 222.683 252.436 1.00 0.00 C +ATOM 85 CA LEU A 85 265.858 219.900 254.945 1.00 0.00 C +ATOM 86 CA GLU A 86 264.375 216.705 253.492 1.00 0.00 C +ATOM 87 CA HIS A 87 261.151 215.153 252.184 1.00 0.00 C +ATOM 88 CA LYS A 88 258.469 212.493 251.680 1.00 0.00 C +TER 89 LYS A 88 +END diff --git a/Fungi/A0A9Q3L6M0/A0A9Q3L6M0.dcd b/Fungi/A0A9Q3L6M0/A0A9Q3L6M0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f30c61d38d188a968e0135d4ef31b805455c4735 --- /dev/null +++ b/Fungi/A0A9Q3L6M0/A0A9Q3L6M0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b9ad0a2c40f71d7cd0d50ba2a42136d3ca7aea06c85dcdc20a3ef471f8e4cc7a +size 14600276 diff --git a/Fungi/A0A9Q3L6M0/top.pdb b/Fungi/A0A9Q3L6M0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f3318a1fbeb26d05254c9a2a4e2ab68392b7d0b4 --- /dev/null +++ b/Fungi/A0A9Q3L6M0/top.pdb @@ -0,0 +1,119 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 228.027 249.270 272.783 1.00 0.00 C +ATOM 2 CA PRO A 2 230.226 247.618 270.146 1.00 0.00 C +ATOM 3 CA VAL A 3 229.077 246.002 266.894 1.00 0.00 C +ATOM 4 CA GLU A 4 230.488 244.585 263.651 1.00 0.00 C +ATOM 5 CA HIS A 5 233.619 242.418 263.526 1.00 0.00 C +ATOM 6 CA SER A 6 234.366 238.748 262.824 1.00 0.00 C +ATOM 7 CA PRO A 7 236.743 236.447 264.713 1.00 0.00 C +ATOM 8 CA PRO A 8 238.449 233.536 262.942 1.00 0.00 C +ATOM 9 CA ALA A 9 239.422 230.961 260.308 1.00 0.00 C +ATOM 10 CA ARG A 10 241.455 231.176 257.093 1.00 0.00 C +ATOM 11 CA GLN A 11 244.882 230.761 255.479 1.00 0.00 C +ATOM 12 CA THR A 12 247.614 232.787 257.196 1.00 0.00 C +ATOM 13 CA ARG A 13 248.559 236.317 258.273 1.00 0.00 C +ATOM 14 CA SER A 14 251.739 238.112 259.361 1.00 0.00 C +ATOM 15 CA PRO A 15 254.804 240.181 258.443 1.00 0.00 C +ATOM 16 CA ALA A 16 257.964 242.084 259.396 1.00 0.00 C +ATOM 17 CA ARG A 17 260.538 243.151 261.994 1.00 0.00 C +ATOM 18 CA ALA A 18 260.049 240.911 265.037 1.00 0.00 C +ATOM 19 CA GLN A 19 263.290 241.093 267.031 1.00 0.00 C +ATOM 20 CA ALA A 20 265.292 240.225 270.154 1.00 0.00 C +ATOM 21 CA ALA A 21 268.913 239.412 271.018 1.00 0.00 C +ATOM 22 CA LEU A 22 271.045 236.595 272.445 1.00 0.00 C +ATOM 23 CA THR A 23 274.780 237.230 272.843 1.00 0.00 C +ATOM 24 CA PRO A 24 277.263 238.620 270.309 1.00 0.00 C +ATOM 25 CA THR A 25 275.667 239.202 266.899 1.00 0.00 C +ATOM 26 CA PRO A 26 274.174 242.413 265.494 1.00 0.00 C +ATOM 27 CA ARG A 27 276.082 245.695 265.820 1.00 0.00 C +ATOM 28 CA VAL A 28 279.643 246.968 265.361 1.00 0.00 C +ATOM 29 CA PRO A 29 282.409 246.157 262.869 1.00 0.00 C +ATOM 30 CA LEU A 30 281.928 242.628 261.515 1.00 0.00 C +ATOM 31 CA ASP A 31 279.002 242.305 259.096 1.00 0.00 C +ATOM 32 CA GLY A 32 277.938 239.240 257.099 1.00 0.00 C +ATOM 33 CA THR A 33 274.308 238.090 257.207 1.00 0.00 C +ATOM 34 CA PRO A 34 272.070 235.180 256.187 1.00 0.00 C +ATOM 35 CA ALA A 35 269.403 235.083 253.467 1.00 0.00 C +ATOM 36 CA VAL A 36 267.471 232.753 251.154 1.00 0.00 C +ATOM 37 CA PRO A 37 268.351 231.362 247.718 1.00 0.00 C +ATOM 38 CA GLN A 38 266.603 228.879 245.417 1.00 0.00 C +ATOM 39 CA GLN A 39 262.996 227.893 246.146 1.00 0.00 C +ATOM 40 CA ARG A 40 261.061 224.638 246.565 1.00 0.00 C +ATOM 41 CA ALA A 41 257.963 223.542 248.493 1.00 0.00 C +ATOM 42 CA GLN A 42 255.278 222.909 245.866 1.00 0.00 C +ATOM 43 CA LEU A 43 254.724 219.860 243.649 1.00 0.00 C +ATOM 44 CA ASP A 44 251.551 220.240 241.575 1.00 0.00 C +ATOM 45 CA ARG A 45 248.696 219.135 239.308 1.00 0.00 C +ATOM 46 CA GLY A 46 246.195 216.746 240.908 1.00 0.00 C +ATOM 47 CA PRO A 47 246.459 215.207 244.383 1.00 0.00 C +ATOM 48 CA HIS A 48 249.496 216.259 246.429 1.00 0.00 C +ATOM 49 CA MET A 49 249.551 217.278 250.099 1.00 0.00 C +ATOM 50 CA GLU A 50 246.051 217.723 251.537 1.00 0.00 C +ATOM 51 CA GLY A 51 242.329 218.285 250.944 1.00 0.00 C +ATOM 52 CA ARG A 52 241.769 222.049 251.134 1.00 0.00 C +ATOM 53 CA GLY A 53 244.099 224.782 252.407 1.00 0.00 C +ATOM 54 CA PRO A 54 247.217 225.163 250.251 1.00 0.00 C +ATOM 55 CA ARG A 55 247.064 227.513 247.256 1.00 0.00 C +ATOM 56 CA ARG A 56 244.708 228.827 244.565 1.00 0.00 C +ATOM 57 CA SER A 57 241.866 228.464 242.054 1.00 0.00 C +ATOM 58 CA ILE A 58 238.168 227.987 241.273 1.00 0.00 C +ATOM 59 CA SER A 59 234.402 228.531 241.085 1.00 0.00 C +ATOM 60 CA SER A 60 230.905 230.031 241.276 1.00 0.00 C +ATOM 61 CA SER A 61 227.199 229.785 240.425 1.00 0.00 C +ATOM 62 CA GLY A 62 223.663 231.135 240.864 1.00 0.00 C +ATOM 63 CA VAL A 63 222.003 234.563 240.935 1.00 0.00 C +ATOM 64 CA VAL A 64 224.108 236.829 238.710 1.00 0.00 C +ATOM 65 CA GLY A 65 227.312 238.727 237.905 1.00 0.00 C +ATOM 66 CA GLY A 66 230.246 236.325 238.281 1.00 0.00 C +ATOM 67 CA PHE A 67 232.820 236.612 241.075 1.00 0.00 C +ATOM 68 CA PRO A 68 236.085 236.606 243.039 1.00 0.00 C +ATOM 69 CA GLY A 69 235.188 237.996 246.471 1.00 0.00 C +ATOM 70 CA LEU A 70 238.453 238.694 248.307 1.00 0.00 C +ATOM 71 CA SER A 71 239.117 238.600 252.057 1.00 0.00 C +ATOM 72 CA ARG A 72 238.653 242.205 253.199 1.00 0.00 C +ATOM 73 CA THR A 73 236.148 244.470 254.962 1.00 0.00 C +ATOM 74 CA SER A 74 233.218 245.654 252.833 1.00 0.00 C +ATOM 75 CA LEU A 75 233.810 245.700 249.070 1.00 0.00 C +ATOM 76 CA LYS A 76 234.429 247.705 245.890 1.00 0.00 C +ATOM 77 CA VAL A 77 235.275 249.966 242.943 1.00 0.00 C +ATOM 78 CA GLN A 78 238.737 251.556 242.974 1.00 0.00 C +ATOM 79 CA GLY A 79 240.796 254.185 241.140 1.00 0.00 C +ATOM 80 CA GLU A 80 243.420 256.863 241.820 1.00 0.00 C +ATOM 81 CA ASP A 81 242.774 259.998 243.886 1.00 0.00 C +ATOM 82 CA ASP A 82 245.464 262.445 242.750 1.00 0.00 C +ATOM 83 CA ASP A 83 244.550 265.692 240.978 1.00 0.00 C +ATOM 84 CA GLU A 84 242.158 266.673 238.179 1.00 0.00 C +ATOM 85 CA GLU A 85 242.624 270.015 236.410 1.00 0.00 C +ATOM 86 CA GLU A 86 242.080 273.278 238.300 1.00 0.00 C +ATOM 87 CA GLU A 87 245.354 275.211 238.052 1.00 0.00 C +ATOM 88 CA ASN A 88 247.683 276.737 240.652 1.00 0.00 C +ATOM 89 CA SER A 89 250.949 278.698 240.615 1.00 0.00 C +ATOM 90 CA VAL A 90 254.456 280.188 240.658 1.00 0.00 C +ATOM 91 CA GLU A 91 256.932 279.741 237.797 1.00 0.00 C +ATOM 92 CA GLU A 92 255.947 279.058 234.180 1.00 0.00 C +ATOM 93 CA GLU A 93 252.968 281.276 233.332 1.00 0.00 C +ATOM 94 CA GLU A 94 253.182 284.975 234.222 1.00 0.00 C +ATOM 95 CA SER A 95 252.377 288.698 234.122 1.00 0.00 C +ATOM 96 CA ASP A 96 251.583 292.412 234.419 1.00 0.00 C +ATOM 97 CA GLY A 97 250.040 295.652 235.698 1.00 0.00 C +ATOM 98 CA THR A 98 250.283 297.349 239.101 1.00 0.00 C +ATOM 99 CA GLU A 99 251.951 295.091 241.676 1.00 0.00 C +ATOM 100 CA GLY A 100 249.400 292.549 242.920 1.00 0.00 C +ATOM 101 CA VAL A 101 246.608 294.454 244.677 1.00 0.00 C +ATOM 102 CA PRO A 102 244.471 292.940 247.444 1.00 0.00 C +ATOM 103 CA ALA A 103 245.344 292.314 251.100 1.00 0.00 C +ATOM 104 CA PRO A 104 247.332 290.960 254.054 1.00 0.00 C +ATOM 105 CA VAL A 105 248.721 287.623 252.850 1.00 0.00 C +ATOM 106 CA GLY A 106 252.044 285.932 253.634 1.00 0.00 C +ATOM 107 CA HIS A 107 254.167 284.073 251.074 1.00 0.00 C +ATOM 108 CA PRO A 108 255.627 285.508 247.861 1.00 0.00 C +ATOM 109 CA LYS A 109 255.650 288.956 246.240 1.00 0.00 C +ATOM 110 CA VAL A 110 258.720 291.101 246.941 1.00 0.00 C +ATOM 111 CA LEU A 111 262.259 292.212 247.810 1.00 0.00 C +ATOM 112 CA GLU A 112 264.388 289.080 248.220 1.00 0.00 C +ATOM 113 CA ASP A 113 263.127 285.674 247.067 1.00 0.00 C +ATOM 114 CA GLN A 114 261.256 286.152 243.783 1.00 0.00 C +ATOM 115 CA LEU A 115 260.657 285.851 240.032 1.00 0.00 C +TER 116 LEU A 115 +END