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merge=lfs -text +Viruses/Q58I31/Q58I31.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q58LM3/Q58LM3.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q58MF1/Q58MF1.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q58N36/Q58N36.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q58NB9/Q58NB9.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q58P45/Q58P45.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q58P48/Q58P48.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q596I4/Q596I4.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q596I6/Q596I6.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q5BND6/Q5BND6.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q5DKQ8/Q5DKQ8.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q5DRF7/Q5DRF7.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q5EM22/Q5EM22.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q5EWN0/Q5EWN0.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q5EWN1/Q5EWN1.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q5FXX2/Q5FXX2.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q5G246/Q5G246.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q5G5L6/Q5G5L6.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q5G5M1/Q5G5M1.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q5G5N5/Q5G5N5.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q5G5P3/Q5G5P3.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q5G5R6/Q5G5R6.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q5G5T2/Q5G5T2.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q5GQU4/Q5GQU4.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q5I4I5/Q5I4I5.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q5J596/Q5J596.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q5J5A1/Q5J5A1.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q5J5A3/Q5J5A3.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q5J5A8/Q5J5A8.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q5L446/Q5L446.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q5MIE7/Q5MIE7.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q5QF78/Q5QF78.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q5UNW3/Q5UNW3.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q5UQA4/Q5UQA4.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q5UTC0/Q5UTC0.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q5UTC9/Q5UTC9.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q5UTE2/Q5UTE2.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q5UTE6/Q5UTE6.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q5Y0N1/Q5Y0N1.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q5YA80/Q5YA80.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q5YF20/Q5YF20.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q5YFF2/Q5YFF2.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q5ZQY2/Q5ZQY2.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q64921/Q64921.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q64989/Q64989.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q65048/Q65048.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q65541/Q65541.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q65548/Q65548.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q66544/Q66544.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q66546/Q66546.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q66550/Q66550.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q66741/Q66741.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q67285/Q67285.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q68556/Q68556.dcd filter=lfs diff=lfs merge=lfs -text +Viruses/Q68628/Q68628.dcd filter=lfs diff=lfs merge=lfs -text diff --git a/Viruses/P19127/P19127.dcd b/Viruses/P19127/P19127.dcd new file mode 100644 index 0000000000000000000000000000000000000000..fa1c0589970f8a04cd029073a0470d0517ec7a1b --- /dev/null +++ b/Viruses/P19127/P19127.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:29903a9bd4eb8f8794a2a06665fb4e04ce3daee08de040d2fda4e5cf9b802115 +size 17840276 diff --git a/Viruses/P19127/top.pdb b/Viruses/P19127/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1864c887f488966f7a68469db0c23d80f90b7b3d --- /dev/null +++ b/Viruses/P19127/top.pdb @@ -0,0 +1,146 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 279.865 185.293 230.226 1.00 0.00 C +ATOM 2 CA ASP A 2 283.537 185.029 231.209 1.00 0.00 C +ATOM 3 CA LEU A 3 286.675 185.553 233.304 1.00 0.00 C +ATOM 4 CA PRO A 4 289.585 184.987 235.698 1.00 0.00 C +ATOM 5 CA GLU A 5 291.517 181.892 236.794 1.00 0.00 C +ATOM 6 CA ASP A 6 294.197 183.043 239.245 1.00 0.00 C +ATOM 7 CA GLN A 7 294.773 186.793 238.898 1.00 0.00 C +ATOM 8 CA ALA A 8 296.916 189.314 240.787 1.00 0.00 C +ATOM 9 CA ARG A 9 299.408 188.958 243.647 1.00 0.00 C +ATOM 10 CA PHE A 10 298.391 188.030 247.199 1.00 0.00 C +ATOM 11 CA THR A 11 295.520 189.292 249.362 1.00 0.00 C +ATOM 12 CA ASN A 12 295.391 192.180 251.844 1.00 0.00 C +ATOM 13 CA SER A 13 296.428 194.233 254.881 1.00 0.00 C +ATOM 14 CA TYR A 14 296.007 195.762 258.346 1.00 0.00 C +ATOM 15 CA SER A 15 296.912 197.547 261.588 1.00 0.00 C +ATOM 16 CA LEU A 16 293.701 198.374 263.465 1.00 0.00 C +ATOM 17 CA ARG A 17 290.898 198.168 260.893 1.00 0.00 C +ATOM 18 CA THR A 18 287.582 199.532 259.605 1.00 0.00 C +ATOM 19 CA THR A 19 284.257 201.145 258.676 1.00 0.00 C +ATOM 20 CA SER A 20 283.339 202.244 255.145 1.00 0.00 C +ATOM 21 CA MET A 21 280.325 201.259 253.034 1.00 0.00 C +ATOM 22 CA GLU A 22 277.512 203.618 254.055 1.00 0.00 C +ATOM 23 CA THR A 23 276.952 203.789 257.820 1.00 0.00 C +ATOM 24 CA PRO A 24 278.758 204.508 261.097 1.00 0.00 C +ATOM 25 CA ARG A 25 279.162 202.177 264.084 1.00 0.00 C +ATOM 26 CA GLU A 26 280.703 204.168 266.943 1.00 0.00 C +ATOM 27 CA VAL A 27 281.286 207.933 267.027 1.00 0.00 C +ATOM 28 CA SER A 28 282.863 210.063 264.291 1.00 0.00 C +ATOM 29 CA ARG A 29 281.236 213.498 264.554 1.00 0.00 C +ATOM 30 CA SER A 30 278.448 215.367 266.357 1.00 0.00 C +ATOM 31 CA GLY A 31 275.588 216.759 268.455 1.00 0.00 C +ATOM 32 CA ARG A 32 272.307 217.190 270.343 1.00 0.00 C +ATOM 33 CA LEU A 33 270.205 220.174 271.435 1.00 0.00 C +ATOM 34 CA TYR A 34 270.203 223.103 268.999 1.00 0.00 C +ATOM 35 CA GLN A 35 271.562 223.858 265.520 1.00 0.00 C +ATOM 36 CA SER A 36 269.927 224.709 262.186 1.00 0.00 C +ATOM 37 CA ALA A 37 270.430 226.531 258.878 1.00 0.00 C +ATOM 38 CA SER A 38 272.657 228.171 256.257 1.00 0.00 C +ATOM 39 CA ARG A 39 271.742 231.421 254.491 1.00 0.00 C +ATOM 40 CA SER A 40 274.616 232.677 252.329 1.00 0.00 C +ATOM 41 CA GLN A 41 278.184 233.002 251.032 1.00 0.00 C +ATOM 42 CA MET A 42 280.878 232.727 248.352 1.00 0.00 C +ATOM 43 CA ALA A 43 283.435 233.537 245.646 1.00 0.00 C +ATOM 44 CA TYR A 44 283.878 235.682 242.528 1.00 0.00 C +ATOM 45 CA SER A 45 287.256 236.062 240.807 1.00 0.00 C +ATOM 46 CA ARG A 46 289.547 235.566 237.804 1.00 0.00 C +ATOM 47 CA PRO A 47 289.650 231.888 236.816 1.00 0.00 C +ATOM 48 CA THR A 48 289.561 231.043 233.102 1.00 0.00 C +ATOM 49 CA MET A 49 287.650 233.121 230.542 1.00 0.00 C +ATOM 50 CA SER A 50 285.201 230.662 228.970 1.00 0.00 C +ATOM 51 CA ILE A 51 281.584 229.644 228.341 1.00 0.00 C +ATOM 52 CA ILE A 52 278.549 231.426 226.882 1.00 0.00 C +ATOM 53 CA SER A 53 277.602 234.852 228.255 1.00 0.00 C +ATOM 54 CA ARG A 54 275.378 237.778 227.249 1.00 0.00 C +ATOM 55 CA THR A 55 275.365 240.480 229.934 1.00 0.00 C +ATOM 56 CA SER A 56 273.652 238.848 232.920 1.00 0.00 C +ATOM 57 CA SER A 57 273.874 237.821 236.583 1.00 0.00 C +ATOM 58 CA TRP A 58 274.476 240.958 238.659 1.00 0.00 C +ATOM 59 CA ARG A 59 272.125 243.584 237.212 1.00 0.00 C +ATOM 60 CA THR A 60 269.679 246.490 237.503 1.00 0.00 C +ATOM 61 CA SER A 61 267.877 247.103 240.804 1.00 0.00 C +ATOM 62 CA PRO A 62 265.271 245.804 243.261 1.00 0.00 C +ATOM 63 CA ARG A 63 261.980 247.377 242.160 1.00 0.00 C +ATOM 64 CA PRO A 64 259.548 250.301 241.939 1.00 0.00 C +ATOM 65 CA LEU A 65 257.563 252.593 244.246 1.00 0.00 C +ATOM 66 CA PRO A 66 255.307 255.504 245.223 1.00 0.00 C +ATOM 67 CA PRO A 67 251.795 256.976 245.110 1.00 0.00 C +ATOM 68 CA PRO A 68 249.385 256.284 242.242 1.00 0.00 C +ATOM 69 CA GLN A 69 248.759 259.155 239.817 1.00 0.00 C +ATOM 70 CA VAL A 70 247.238 257.770 236.610 1.00 0.00 C +ATOM 71 CA PRO A 71 246.059 254.160 236.311 1.00 0.00 C +ATOM 72 CA SER A 72 245.841 250.549 237.508 1.00 0.00 C +ATOM 73 CA LEU A 73 243.496 248.199 239.377 1.00 0.00 C +ATOM 74 CA MET A 74 241.351 245.727 237.428 1.00 0.00 C +ATOM 75 CA ASN A 75 237.691 246.067 236.423 1.00 0.00 C +ATOM 76 CA SER A 76 235.820 248.607 234.288 1.00 0.00 C +ATOM 77 CA ILE A 77 234.626 251.954 232.913 1.00 0.00 C +ATOM 78 CA LEU A 78 233.337 254.875 234.992 1.00 0.00 C +ATOM 79 CA THR A 79 231.155 256.143 237.846 1.00 0.00 C +ATOM 80 CA SER A 80 228.291 258.063 239.467 1.00 0.00 C +ATOM 81 CA ARG A 81 226.149 259.581 236.706 1.00 0.00 C +ATOM 82 CA THR A 82 222.346 259.377 236.593 1.00 0.00 C +ATOM 83 CA GLN A 83 218.809 260.792 236.626 1.00 0.00 C +ATOM 84 CA GLN A 84 218.075 264.529 236.513 1.00 0.00 C +ATOM 85 CA SER A 85 214.582 265.715 237.465 1.00 0.00 C +ATOM 86 CA SER A 86 214.245 269.052 239.271 1.00 0.00 C +ATOM 87 CA PRO A 87 211.185 270.609 240.923 1.00 0.00 C +ATOM 88 CA LYS A 88 209.622 273.767 242.373 1.00 0.00 C +ATOM 89 CA LEU A 89 208.732 274.294 246.040 1.00 0.00 C +ATOM 90 CA THR A 90 207.136 275.270 249.359 1.00 0.00 C +ATOM 91 CA ASN A 91 206.339 274.387 252.979 1.00 0.00 C +ATOM 92 CA SER A 92 208.836 276.172 255.236 1.00 0.00 C +ATOM 93 CA ALA A 93 208.932 279.846 256.239 1.00 0.00 C +ATOM 94 CA SER A 94 210.050 283.354 257.220 1.00 0.00 C +ATOM 95 CA PRO A 95 210.399 286.030 254.530 1.00 0.00 C +ATOM 96 CA ASN A 96 212.461 288.467 252.450 1.00 0.00 C +ATOM 97 CA LEU A 97 215.710 288.847 250.497 1.00 0.00 C +ATOM 98 CA ARG A 98 219.133 290.385 251.155 1.00 0.00 C +ATOM 99 CA ARG A 99 221.435 293.300 252.004 1.00 0.00 C +ATOM 100 CA LYS A 100 222.634 296.369 250.090 1.00 0.00 C +ATOM 101 CA SER A 101 223.716 295.084 246.670 1.00 0.00 C +ATOM 102 CA SER A 102 227.509 295.443 246.693 1.00 0.00 C +ATOM 103 CA LEU A 103 229.705 297.146 244.086 1.00 0.00 C +ATOM 104 CA GLY A 104 229.460 300.231 241.864 1.00 0.00 C +ATOM 105 CA ARG A 105 228.035 303.657 242.730 1.00 0.00 C +ATOM 106 CA LEU A 106 228.343 304.069 246.505 1.00 0.00 C +ATOM 107 CA SER A 107 224.776 303.693 247.790 1.00 0.00 C +ATOM 108 CA MET A 108 221.371 303.368 249.469 1.00 0.00 C +ATOM 109 CA ASP A 109 218.753 302.059 251.907 1.00 0.00 C +ATOM 110 CA ARG A 110 219.666 301.642 255.583 1.00 0.00 C +ATOM 111 CA HIS A 111 222.817 303.050 257.197 1.00 0.00 C +ATOM 112 CA GLY A 112 223.094 304.811 260.564 1.00 0.00 C +ATOM 113 CA THR A 113 221.712 305.960 263.924 1.00 0.00 C +ATOM 114 CA THR A 114 218.489 303.984 264.396 1.00 0.00 C +ATOM 115 CA LEU A 115 217.481 300.780 266.193 1.00 0.00 C +ATOM 116 CA GLN A 116 214.803 298.879 268.126 1.00 0.00 C +ATOM 117 CA ARG A 117 214.596 295.086 268.416 1.00 0.00 C +ATOM 118 CA THR A 118 214.529 293.729 271.976 1.00 0.00 C +ATOM 119 CA ASN A 119 214.946 290.163 273.252 1.00 0.00 C +ATOM 120 CA SER A 120 213.461 286.730 272.528 1.00 0.00 C +ATOM 121 CA GLY A 121 210.646 284.168 272.704 1.00 0.00 C +ATOM 122 CA PHE A 122 209.365 280.966 271.086 1.00 0.00 C +ATOM 123 CA SER A 123 212.446 278.929 270.149 1.00 0.00 C +ATOM 124 CA THR A 124 211.233 275.765 268.407 1.00 0.00 C +ATOM 125 CA LYS A 125 212.539 272.789 266.419 1.00 0.00 C +ATOM 126 CA GLU A 126 215.065 270.243 267.707 1.00 0.00 C +ATOM 127 CA THR A 127 216.790 267.461 265.758 1.00 0.00 C +ATOM 128 CA GLU A 128 216.421 267.278 261.970 1.00 0.00 C +ATOM 129 CA MET A 129 218.710 268.368 259.126 1.00 0.00 C +ATOM 130 CA PRO A 130 221.668 268.179 256.732 1.00 0.00 C +ATOM 131 CA ARG A 131 223.131 268.786 253.267 1.00 0.00 C +ATOM 132 CA LEU A 132 226.756 269.009 252.116 1.00 0.00 C +ATOM 133 CA LEU A 133 227.963 269.975 248.633 1.00 0.00 C +ATOM 134 CA ASP A 134 227.061 273.564 247.726 1.00 0.00 C +ATOM 135 CA ARG A 135 227.627 276.315 250.301 1.00 0.00 C +ATOM 136 CA SER A 136 226.501 279.871 251.076 1.00 0.00 C +ATOM 137 CA GLU A 137 229.382 281.440 253.013 1.00 0.00 C +ATOM 138 CA SER A 138 228.197 283.458 256.019 1.00 0.00 C +ATOM 139 CA LEU A 139 229.076 283.044 259.703 1.00 0.00 C +ATOM 140 CA SER A 140 229.280 285.404 262.688 1.00 0.00 C +ATOM 141 CA ARG A 141 232.111 287.747 263.692 1.00 0.00 C +ATOM 142 CA TYR A 142 232.666 290.809 261.494 1.00 0.00 C +TER 143 TYR A 142 +END diff --git a/Viruses/P20833/P20833.dcd b/Viruses/P20833/P20833.dcd new file mode 100644 index 0000000000000000000000000000000000000000..de5cc06d8e074a1f50d8ff65613fb6eb444d7247 --- /dev/null +++ b/Viruses/P20833/P20833.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1fcf6ada50fc623cab95a602afd9199bc0d271caad2ce4e70f743afedd15c83f +size 6320276 diff --git a/Viruses/P20833/top.pdb b/Viruses/P20833/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7f8f789b03f62c16b69210080546e9711b060d73 --- /dev/null +++ b/Viruses/P20833/top.pdb @@ -0,0 +1,50 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 224.629 260.589 251.724 1.00 0.00 C +ATOM 2 CA ARG A 2 221.434 261.058 249.702 1.00 0.00 C +ATOM 3 CA THR A 3 221.370 264.294 247.692 1.00 0.00 C +ATOM 4 CA ASN A 4 223.699 265.894 245.137 1.00 0.00 C +ATOM 5 CA PHE A 5 225.819 264.192 242.468 1.00 0.00 C +ATOM 6 CA GLU A 6 229.413 265.355 242.963 1.00 0.00 C +ATOM 7 CA LYS A 7 231.451 263.916 240.083 1.00 0.00 C +ATOM 8 CA PHE A 8 234.351 264.647 237.723 1.00 0.00 C +ATOM 9 CA THR A 9 238.059 264.377 236.888 1.00 0.00 C +ATOM 10 CA LYS A 10 241.196 263.233 238.723 1.00 0.00 C +ATOM 11 CA ARG A 11 242.981 261.706 241.722 1.00 0.00 C +ATOM 12 CA ASP A 12 242.333 262.585 245.372 1.00 0.00 C +ATOM 13 CA SER A 13 239.532 260.902 247.330 1.00 0.00 C +ATOM 14 CA VAL A 14 239.874 257.114 247.105 1.00 0.00 C +ATOM 15 CA VAL A 15 237.457 254.826 245.252 1.00 0.00 C +ATOM 16 CA ASN A 16 236.957 254.127 241.540 1.00 0.00 C +ATOM 17 CA GLU A 17 236.370 250.668 240.056 1.00 0.00 C +ATOM 18 CA GLN A 18 235.300 249.227 236.695 1.00 0.00 C +ATOM 19 CA GLY A 19 234.670 248.045 233.128 1.00 0.00 C +ATOM 20 CA GLU A 20 235.758 247.945 229.478 1.00 0.00 C +ATOM 21 CA GLN A 21 239.536 247.452 229.544 1.00 0.00 C +ATOM 22 CA TRP A 22 240.947 247.528 233.082 1.00 0.00 C +ATOM 23 CA GLN A 23 243.593 245.185 234.504 1.00 0.00 C +ATOM 24 CA GLU A 24 244.185 243.850 238.023 1.00 0.00 C +ATOM 25 CA ARG A 25 245.131 246.416 240.676 1.00 0.00 C +ATOM 26 CA ARG A 26 247.544 245.984 243.592 1.00 0.00 C +ATOM 27 CA ASP A 27 251.173 246.988 244.178 1.00 0.00 C +ATOM 28 CA ARG A 28 253.512 244.370 245.657 1.00 0.00 C +ATOM 29 CA MET A 29 257.017 243.459 246.840 1.00 0.00 C +ATOM 30 CA LYS A 30 259.920 241.636 248.503 1.00 0.00 C +ATOM 31 CA LYS A 31 263.397 242.070 249.999 1.00 0.00 C +ATOM 32 CA ARG A 32 264.447 240.559 253.335 1.00 0.00 C +ATOM 33 CA HIS A 33 265.593 237.126 254.527 1.00 0.00 C +ATOM 34 CA LYS A 34 263.267 235.161 256.816 1.00 0.00 C +ATOM 35 CA GLN A 35 263.708 234.943 260.594 1.00 0.00 C +ATOM 36 CA GLN A 36 265.896 235.099 263.709 1.00 0.00 C +ATOM 37 CA ARG A 37 268.877 233.837 265.718 1.00 0.00 C +ATOM 38 CA GLY A 38 272.211 235.659 265.418 1.00 0.00 C +ATOM 39 CA ASN A 39 272.546 238.613 267.800 1.00 0.00 C +ATOM 40 CA SER A 40 274.312 241.964 267.394 1.00 0.00 C +ATOM 41 CA GLN A 41 275.736 244.256 270.084 1.00 0.00 C +ATOM 42 CA LYS A 42 279.160 245.910 270.324 1.00 0.00 C +ATOM 43 CA ARG A 43 280.354 248.754 272.561 1.00 0.00 C +ATOM 44 CA GLU A 44 280.167 250.088 276.125 1.00 0.00 C +ATOM 45 CA TRP A 45 277.115 249.905 278.397 1.00 0.00 C +ATOM 46 CA ASN A 46 278.007 248.488 281.820 1.00 0.00 C +TER 47 ASN A 46 +END diff --git a/Viruses/P24649/P24649.dcd b/Viruses/P24649/P24649.dcd new file mode 100644 index 0000000000000000000000000000000000000000..1e3a9249b32283622580a6b4e2b4c48c991d5f35 --- /dev/null +++ b/Viruses/P24649/P24649.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:30ad63e48ba43dd3a38276b4d11faca80ecb65fd6601424f1d7a5239d3c6f650 +size 8600276 diff --git a/Viruses/P24649/top.pdb b/Viruses/P24649/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a1169f4fb611b46f9e351fe5a321a63ccda451cc --- /dev/null +++ b/Viruses/P24649/top.pdb @@ -0,0 +1,69 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 202.293 243.891 238.273 1.00 0.00 C +ATOM 2 CA VAL A 2 201.771 240.212 237.431 1.00 0.00 C +ATOM 3 CA TYR A 3 204.538 238.371 239.294 1.00 0.00 C +ATOM 4 CA ARG A 4 207.876 237.124 237.947 1.00 0.00 C +ATOM 5 CA ARG A 5 210.519 237.308 240.686 1.00 0.00 C +ATOM 6 CA ARG A 6 212.077 239.500 243.384 1.00 0.00 C +ATOM 7 CA ARG A 7 215.559 240.851 242.628 1.00 0.00 C +ATOM 8 CA ARG A 8 216.032 242.666 239.312 1.00 0.00 C +ATOM 9 CA SER A 9 219.636 243.902 239.354 1.00 0.00 C +ATOM 10 CA SER A 10 222.357 241.242 239.525 1.00 0.00 C +ATOM 11 CA THR A 11 221.456 238.169 241.590 1.00 0.00 C +ATOM 12 CA GLY A 12 220.734 237.535 245.277 1.00 0.00 C +ATOM 13 CA ALA A 13 223.999 236.413 246.888 1.00 0.00 C +ATOM 14 CA THR A 14 226.677 238.970 245.989 1.00 0.00 C +ATOM 15 CA TYR A 15 228.518 240.028 242.825 1.00 0.00 C +ATOM 16 CA GLY A 16 230.036 242.598 240.458 1.00 0.00 C +ATOM 17 CA LEU A 17 229.699 246.162 241.762 1.00 0.00 C +ATOM 18 CA THR A 18 230.863 246.495 245.375 1.00 0.00 C +ATOM 19 CA ARG A 19 232.260 249.370 247.448 1.00 0.00 C +ATOM 20 CA ARG A 20 234.945 251.780 248.670 1.00 0.00 C +ATOM 21 CA ARG A 21 234.966 252.691 252.370 1.00 0.00 C +ATOM 22 CA ARG A 22 235.847 255.487 254.803 1.00 0.00 C +ATOM 23 CA SER A 23 238.876 254.369 256.826 1.00 0.00 C +ATOM 24 CA SER A 24 240.648 253.153 259.972 1.00 0.00 C +ATOM 25 CA ALA A 25 243.456 251.533 261.973 1.00 0.00 C +ATOM 26 CA GLY A 26 246.584 250.532 263.905 1.00 0.00 C +ATOM 27 CA ILE A 27 249.507 250.016 266.293 1.00 0.00 C +ATOM 28 CA THR A 28 251.681 248.236 268.866 1.00 0.00 C +ATOM 29 CA ARG A 29 253.056 251.064 271.018 1.00 0.00 C +ATOM 30 CA ARG A 30 255.865 251.769 273.493 1.00 0.00 C +ATOM 31 CA ARG A 31 258.099 254.319 275.230 1.00 0.00 C +ATOM 32 CA ARG A 32 260.664 254.536 278.039 1.00 0.00 C +ATOM 33 CA SER A 33 263.910 253.324 279.625 1.00 0.00 C +ATOM 34 CA SER A 34 266.176 250.395 280.518 1.00 0.00 C +ATOM 35 CA GLY A 35 269.946 250.392 279.970 1.00 0.00 C +ATOM 36 CA TYR A 36 270.746 252.514 276.909 1.00 0.00 C +ATOM 37 CA ARG A 37 273.595 252.759 274.390 1.00 0.00 C +ATOM 38 CA ARG A 38 273.087 254.954 271.318 1.00 0.00 C +ATOM 39 CA ARG A 39 270.584 254.324 268.517 1.00 0.00 C +ATOM 40 CA PRO A 40 270.676 251.437 266.032 1.00 0.00 C +ATOM 41 CA GLY A 41 269.245 252.566 262.686 1.00 0.00 C +ATOM 42 CA ARG A 42 269.452 256.026 261.103 1.00 0.00 C +ATOM 43 CA PRO A 43 271.808 257.552 258.527 1.00 0.00 C +ATOM 44 CA ARG A 44 273.977 257.099 255.428 1.00 0.00 C +ATOM 45 CA THR A 45 273.888 254.964 252.274 1.00 0.00 C +ATOM 46 CA TYR A 46 275.841 251.852 251.264 1.00 0.00 C +ATOM 47 CA ARG A 47 274.708 248.782 249.314 1.00 0.00 C +ATOM 48 CA ARG A 48 275.434 248.317 245.603 1.00 0.00 C +ATOM 49 CA SER A 49 278.179 247.465 243.102 1.00 0.00 C +ATOM 50 CA ARG A 50 277.901 248.147 239.363 1.00 0.00 C +ATOM 51 CA SER A 51 275.125 250.694 238.794 1.00 0.00 C +ATOM 52 CA ARG A 52 274.138 250.769 235.115 1.00 0.00 C +ATOM 53 CA SER A 53 271.287 250.313 232.630 1.00 0.00 C +ATOM 54 CA LEU A 54 268.660 247.605 232.096 1.00 0.00 C +ATOM 55 CA THR A 55 266.009 246.660 234.664 1.00 0.00 C +ATOM 56 CA SER A 56 263.054 247.743 236.811 1.00 0.00 C +ATOM 57 CA ARG A 57 263.243 251.305 238.149 1.00 0.00 C +ATOM 58 CA ARG A 58 263.036 254.904 236.918 1.00 0.00 C +ATOM 59 CA SER A 59 264.615 255.419 233.488 1.00 0.00 C +ATOM 60 CA TYR A 60 265.301 259.162 233.300 1.00 0.00 C +ATOM 61 CA ARG A 61 266.286 262.631 232.068 1.00 0.00 C +ATOM 62 CA THR A 62 264.696 264.345 229.060 1.00 0.00 C +ATOM 63 CA ARG A 63 261.227 265.634 229.966 1.00 0.00 C +ATOM 64 CA TYR A 64 259.973 268.884 231.510 1.00 0.00 C +ATOM 65 CA TYR A 65 263.105 270.768 232.584 1.00 0.00 C +TER 66 TYR A 65 +END diff --git a/Viruses/P41726/P41726.dcd b/Viruses/P41726/P41726.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c191170f95e923abcdb8625d7daa8fe7782075c8 --- /dev/null +++ b/Viruses/P41726/P41726.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:53316d4e93052fbe6d34422847bd25c5efdc66f92ddd74ff277792d270b51469 +size 7760276 diff --git a/Viruses/P41726/top.pdb b/Viruses/P41726/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..675ac4756955e08d5b953f6488ccf998c97e9c84 --- /dev/null +++ b/Viruses/P41726/top.pdb @@ -0,0 +1,62 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 248.407 253.253 247.650 1.00 0.00 C +ATOM 2 CA VAL A 2 246.761 255.443 250.298 1.00 0.00 C +ATOM 3 CA ARG A 3 245.807 258.730 248.625 1.00 0.00 C +ATOM 4 CA ARG A 4 248.110 261.502 247.390 1.00 0.00 C +ATOM 5 CA ARG A 5 250.390 263.524 249.676 1.00 0.00 C +ATOM 6 CA ARG A 6 251.422 265.099 252.989 1.00 0.00 C +ATOM 7 CA SER A 7 249.289 268.146 253.813 1.00 0.00 C +ATOM 8 CA ARG A 8 245.759 267.370 252.609 1.00 0.00 C +ATOM 9 CA SER A 9 242.458 268.882 253.764 1.00 0.00 C +ATOM 10 CA PRO A 10 240.409 271.678 252.183 1.00 0.00 C +ATOM 11 CA TYR A 11 239.014 274.288 249.783 1.00 0.00 C +ATOM 12 CA ARG A 12 239.763 277.225 247.475 1.00 0.00 C +ATOM 13 CA ARG A 13 239.915 275.965 243.882 1.00 0.00 C +ATOM 14 CA ARG A 14 242.776 273.535 243.227 1.00 0.00 C +ATOM 15 CA SER A 15 244.162 270.689 245.347 1.00 0.00 C +ATOM 16 CA ARG A 16 243.120 267.096 244.629 1.00 0.00 C +ATOM 17 CA SER A 17 244.435 265.328 241.520 1.00 0.00 C +ATOM 18 CA ARG A 18 246.896 264.949 238.637 1.00 0.00 C +ATOM 19 CA SER A 19 250.361 264.658 240.194 1.00 0.00 C +ATOM 20 CA ARG A 20 252.907 261.824 240.241 1.00 0.00 C +ATOM 21 CA SER A 21 253.430 259.456 243.180 1.00 0.00 C +ATOM 22 CA GLY A 22 256.758 258.850 244.934 1.00 0.00 C +ATOM 23 CA SER A 23 259.177 258.527 247.859 1.00 0.00 C +ATOM 24 CA ASP A 24 262.354 256.601 248.704 1.00 0.00 C +ATOM 25 CA ARG A 25 261.288 254.022 251.299 1.00 0.00 C +ATOM 26 CA SER A 26 262.860 250.651 252.123 1.00 0.00 C +ATOM 27 CA ARG A 27 260.906 248.126 254.202 1.00 0.00 C +ATOM 28 CA SER A 28 257.411 246.684 254.670 1.00 0.00 C +ATOM 29 CA ARG A 29 253.737 247.597 254.242 1.00 0.00 C +ATOM 30 CA TYR A 30 250.814 245.544 252.915 1.00 0.00 C +ATOM 31 CA ARG A 31 247.528 246.641 254.501 1.00 0.00 C +ATOM 32 CA SER A 32 244.451 244.578 255.392 1.00 0.00 C +ATOM 33 CA ARG A 33 243.583 241.777 252.960 1.00 0.00 C +ATOM 34 CA SER A 34 244.968 242.422 249.470 1.00 0.00 C +ATOM 35 CA ARG A 35 243.089 240.620 246.688 1.00 0.00 C +ATOM 36 CA SER A 36 243.387 241.927 243.121 1.00 0.00 C +ATOM 37 CA ARG A 37 244.199 245.646 243.274 1.00 0.00 C +ATOM 38 CA SER A 38 245.966 248.709 241.857 1.00 0.00 C +ATOM 39 CA ARG A 39 249.139 248.084 239.841 1.00 0.00 C +ATOM 40 CA SER A 40 252.299 246.167 240.765 1.00 0.00 C +ATOM 41 CA ARG A 41 253.762 242.879 242.015 1.00 0.00 C +ATOM 42 CA SER A 42 251.151 241.258 244.267 1.00 0.00 C +ATOM 43 CA ARG A 43 249.991 237.685 244.898 1.00 0.00 C +ATOM 44 CA ALA A 44 249.818 234.653 247.199 1.00 0.00 C +ATOM 45 CA ARG A 45 249.935 230.989 248.236 1.00 0.00 C +ATOM 46 CA SER A 46 247.524 230.771 251.178 1.00 0.00 C +ATOM 47 CA ARG A 47 245.815 231.171 254.560 1.00 0.00 C +ATOM 48 CA SER A 48 245.250 234.882 255.211 1.00 0.00 C +ATOM 49 CA PRO A 49 245.068 237.060 258.332 1.00 0.00 C +ATOM 50 CA TYR A 50 245.984 236.135 261.912 1.00 0.00 C +ATOM 51 CA HIS A 51 248.244 233.079 262.184 1.00 0.00 C +ATOM 52 CA HIS A 52 251.652 233.630 263.796 1.00 0.00 C +ATOM 53 CA HIS A 53 254.428 231.117 263.092 1.00 0.00 C +ATOM 54 CA ILE A 54 256.480 229.415 260.370 1.00 0.00 C +ATOM 55 CA ASN A 55 260.099 228.280 260.732 1.00 0.00 C +ATOM 56 CA GLN A 56 262.882 229.112 258.267 1.00 0.00 C +ATOM 57 CA TYR A 57 264.714 228.557 254.972 1.00 0.00 C +ATOM 58 CA ILE A 58 267.701 227.518 252.848 1.00 0.00 C +TER 59 ILE A 58 +END diff --git a/Viruses/P57017/P57017.dcd b/Viruses/P57017/P57017.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c52167afaa2c2d092ba5c090c13a7e1990638731 --- /dev/null +++ b/Viruses/P57017/P57017.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4a2164aa9cc3ad91e999fb8837c04fbf6f9c485c0d57d88dfe56bebeb5f372c7 +size 7880276 diff --git a/Viruses/P57017/top.pdb b/Viruses/P57017/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..6bb549690e485d98e4be368bbe6e5860db0c8346 --- /dev/null +++ b/Viruses/P57017/top.pdb @@ -0,0 +1,63 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 269.666 262.030 254.229 1.00 0.00 C +ATOM 2 CA ALA A 2 270.681 258.379 253.834 1.00 0.00 C +ATOM 3 CA LYS A 3 273.844 256.394 254.588 1.00 0.00 C +ATOM 4 CA LYS A 4 276.066 254.457 252.173 1.00 0.00 C +ATOM 5 CA PRO A 5 275.207 253.628 248.555 1.00 0.00 C +ATOM 6 CA GLY A 6 273.980 250.353 247.043 1.00 0.00 C +ATOM 7 CA GLU A 7 270.171 250.256 247.050 1.00 0.00 C +ATOM 8 CA ASN A 8 268.327 247.445 248.842 1.00 0.00 C +ATOM 9 CA THR A 9 268.180 244.640 251.417 1.00 0.00 C +ATOM 10 CA GLY A 10 266.063 241.514 250.905 1.00 0.00 C +ATOM 11 CA LYS A 11 262.344 240.905 251.469 1.00 0.00 C +ATOM 12 CA ASN A 12 260.747 238.039 253.405 1.00 0.00 C +ATOM 13 CA GLY A 13 263.054 237.301 256.346 1.00 0.00 C +ATOM 14 CA GLY A 14 266.106 236.611 258.520 1.00 0.00 C +ATOM 15 CA ILE A 15 269.707 235.404 258.210 1.00 0.00 C +ATOM 16 CA TYR A 16 271.152 231.891 257.920 1.00 0.00 C +ATOM 17 CA GLN A 17 274.392 231.342 259.846 1.00 0.00 C +ATOM 18 CA GLU A 18 277.722 233.086 260.472 1.00 0.00 C +ATOM 19 CA VAL A 19 276.920 236.795 260.134 1.00 0.00 C +ATOM 20 CA GLY A 20 278.521 238.482 257.116 1.00 0.00 C +ATOM 21 CA PRO A 21 276.380 241.279 255.664 1.00 0.00 C +ATOM 22 CA ARG A 22 273.140 242.055 253.816 1.00 0.00 C +ATOM 23 CA GLY A 23 271.677 238.654 252.914 1.00 0.00 C +ATOM 24 CA GLY A 24 273.018 237.695 249.479 1.00 0.00 C +ATOM 25 CA LYS A 25 270.771 236.470 246.657 1.00 0.00 C +ATOM 26 CA LYS A 26 271.140 238.874 243.724 1.00 0.00 C +ATOM 27 CA ASP A 27 267.969 239.163 241.632 1.00 0.00 C +ATOM 28 CA ASN A 28 265.237 241.740 242.273 1.00 0.00 C +ATOM 29 CA PHE A 29 261.463 241.944 241.789 1.00 0.00 C +ATOM 30 CA ALA A 30 259.483 245.193 241.986 1.00 0.00 C +ATOM 31 CA THR A 31 257.022 248.084 242.307 1.00 0.00 C +ATOM 32 CA VAL A 32 254.125 249.724 244.161 1.00 0.00 C +ATOM 33 CA LYS A 33 251.171 250.042 246.546 1.00 0.00 C +ATOM 34 CA ASP A 34 248.541 250.298 249.291 1.00 0.00 C +ATOM 35 CA ASN A 35 246.254 248.499 251.750 1.00 0.00 C +ATOM 36 CA GLU A 36 242.870 246.849 251.167 1.00 0.00 C +ATOM 37 CA ARG A 37 240.117 245.817 248.744 1.00 0.00 C +ATOM 38 CA LEU A 38 238.327 242.544 249.520 1.00 0.00 C +ATOM 39 CA PRO A 39 235.236 243.203 251.647 1.00 0.00 C +ATOM 40 CA PRO A 40 231.932 245.039 251.167 1.00 0.00 C +ATOM 41 CA THR A 41 232.176 248.749 250.338 1.00 0.00 C +ATOM 42 CA THR A 42 230.010 251.871 250.612 1.00 0.00 C +ATOM 43 CA LYS A 43 230.266 254.118 247.545 1.00 0.00 C +ATOM 44 CA PRO A 44 230.403 257.806 246.599 1.00 0.00 C +ATOM 45 CA GLY A 45 229.498 259.689 249.785 1.00 0.00 C +ATOM 46 CA ASN A 46 226.465 261.965 249.424 1.00 0.00 C +ATOM 47 CA GLY A 47 223.088 260.297 250.000 1.00 0.00 C +ATOM 48 CA TRP A 48 223.433 256.514 249.706 1.00 0.00 C +ATOM 49 CA VAL A 49 220.676 254.141 248.572 1.00 0.00 C +ATOM 50 CA LEU A 50 218.405 255.102 245.668 1.00 0.00 C +ATOM 51 CA ASP A 51 216.385 258.169 244.655 1.00 0.00 C +ATOM 52 CA LYS A 52 214.890 261.666 244.895 1.00 0.00 C +ATOM 53 CA ARG A 53 216.839 264.715 246.087 1.00 0.00 C +ATOM 54 CA THR A 54 215.174 267.634 247.883 1.00 0.00 C +ATOM 55 CA PRO A 55 214.486 271.238 248.910 1.00 0.00 C +ATOM 56 CA ASP A 56 216.144 274.545 247.998 1.00 0.00 C +ATOM 57 CA SER A 57 217.378 278.144 247.796 1.00 0.00 C +ATOM 58 CA LYS A 58 214.413 280.294 246.745 1.00 0.00 C +ATOM 59 CA LYS A 59 211.151 281.228 248.478 1.00 0.00 C +TER 60 LYS A 59 +END diff --git a/Viruses/P68828/P68828.dcd b/Viruses/P68828/P68828.dcd new file mode 100644 index 0000000000000000000000000000000000000000..394f09c3ba36d2cfb7002340ab22eabcf56d7139 --- /dev/null +++ b/Viruses/P68828/P68828.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0cd2561e3b887e64d0d1193f50369ffc23e843f2af61051de0416fc3a7b75c2c +size 13040276 diff --git a/Viruses/P68828/top.pdb b/Viruses/P68828/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3eebc7038601713920023654591b6aa692987c0c --- /dev/null +++ b/Viruses/P68828/top.pdb @@ -0,0 +1,106 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 246.822 231.385 263.088 1.00 0.00 C +ATOM 2 CA LEU A 2 248.518 233.858 260.737 1.00 0.00 C +ATOM 3 CA ASN A 3 250.354 237.178 261.090 1.00 0.00 C +ATOM 4 CA ASP A 4 251.463 240.452 262.692 1.00 0.00 C +ATOM 5 CA ALA A 5 251.550 239.855 266.454 1.00 0.00 C +ATOM 6 CA LYS A 6 251.877 240.067 270.244 1.00 0.00 C +ATOM 7 CA GLN A 7 250.610 243.519 271.243 1.00 0.00 C +ATOM 8 CA THR A 8 250.149 245.688 268.145 1.00 0.00 C +ATOM 9 CA ARG A 9 248.489 247.619 265.311 1.00 0.00 C +ATOM 10 CA ALA A 10 248.099 245.777 261.999 1.00 0.00 C +ATOM 11 CA ASN A 11 249.552 247.874 259.170 1.00 0.00 C +ATOM 12 CA PRO A 12 250.327 251.128 257.345 1.00 0.00 C +ATOM 13 CA GLY A 13 246.971 252.673 256.415 1.00 0.00 C +ATOM 14 CA THR A 14 243.179 252.741 256.777 1.00 0.00 C +ATOM 15 CA SER A 15 241.147 252.305 259.970 1.00 0.00 C +ATOM 16 CA ARG A 16 242.452 254.880 262.456 1.00 0.00 C +ATOM 17 CA PRO A 17 240.308 258.013 262.770 1.00 0.00 C +ATOM 18 CA HIS A 18 242.440 260.632 264.534 1.00 0.00 C +ATOM 19 CA SER A 19 244.918 263.361 265.496 1.00 0.00 C +ATOM 20 CA ASN A 20 246.274 262.988 269.037 1.00 0.00 C +ATOM 21 CA GLY A 21 249.621 263.925 270.597 1.00 0.00 C +ATOM 22 CA GLY A 22 252.093 265.063 267.931 1.00 0.00 C +ATOM 23 CA GLY A 23 255.520 265.430 269.554 1.00 0.00 C +ATOM 24 CA SER A 24 258.840 263.565 269.428 1.00 0.00 C +ATOM 25 CA SER A 25 262.279 261.947 269.160 1.00 0.00 C +ATOM 26 CA HIS A 26 265.783 261.768 270.646 1.00 0.00 C +ATOM 27 CA GLY A 27 268.983 263.590 269.668 1.00 0.00 C +ATOM 28 CA ASN A 28 270.311 267.024 268.690 1.00 0.00 C +ATOM 29 CA GLU A 29 271.901 269.229 271.359 1.00 0.00 C +ATOM 30 CA LEU A 30 271.484 270.700 274.848 1.00 0.00 C +ATOM 31 CA PRO A 31 271.041 268.122 277.618 1.00 0.00 C +ATOM 32 CA ARG A 32 272.544 266.346 280.635 1.00 0.00 C +ATOM 33 CA ARG A 33 272.231 266.712 284.415 1.00 0.00 C +ATOM 34 CA THR A 34 268.789 267.590 285.794 1.00 0.00 C +ATOM 35 CA GLU A 35 265.878 265.619 284.325 1.00 0.00 C +ATOM 36 CA GLN A 36 264.670 262.545 282.426 1.00 0.00 C +ATOM 37 CA ARG A 37 262.554 259.670 283.758 1.00 0.00 C +ATOM 38 CA ALA A 38 260.432 257.928 286.399 1.00 0.00 C +ATOM 39 CA GLN A 39 257.177 255.950 286.472 1.00 0.00 C +ATOM 40 CA GLY A 40 257.932 252.273 285.819 1.00 0.00 C +ATOM 41 CA PRO A 41 257.636 250.957 282.256 1.00 0.00 C +ATOM 42 CA ARG A 42 259.531 249.769 279.172 1.00 0.00 C +ATOM 43 CA GLN A 43 257.844 251.547 276.255 1.00 0.00 C +ATOM 44 CA PRO A 44 255.573 254.254 274.831 1.00 0.00 C +ATOM 45 CA ALA A 45 253.473 254.405 271.655 1.00 0.00 C +ATOM 46 CA ARG A 46 254.559 252.005 268.903 1.00 0.00 C +ATOM 47 CA LEU A 47 254.995 252.537 265.155 1.00 0.00 C +ATOM 48 CA PRO A 48 257.638 255.089 264.144 1.00 0.00 C +ATOM 49 CA LYS A 49 259.639 258.299 263.693 1.00 0.00 C +ATOM 50 CA GLN A 50 257.474 261.111 262.307 1.00 0.00 C +ATOM 51 CA GLY A 51 253.846 259.949 262.324 1.00 0.00 C +ATOM 52 CA LYS A 52 252.506 259.777 258.762 1.00 0.00 C +ATOM 53 CA THR A 53 253.041 263.157 257.086 1.00 0.00 C +ATOM 54 CA ASN A 54 252.405 266.797 256.158 1.00 0.00 C +ATOM 55 CA GLY A 55 249.034 268.570 256.090 1.00 0.00 C +ATOM 56 CA LYS A 56 245.363 268.111 255.178 1.00 0.00 C +ATOM 57 CA SER A 57 241.756 267.975 256.397 1.00 0.00 C +ATOM 58 CA ASP A 58 239.680 267.606 253.224 1.00 0.00 C +ATOM 59 CA GLY A 59 240.020 264.056 251.882 1.00 0.00 C +ATOM 60 CA ASN A 60 239.295 262.953 248.308 1.00 0.00 C +ATOM 61 CA ILE A 61 237.113 260.367 246.556 1.00 0.00 C +ATOM 62 CA THR A 62 235.759 257.531 244.403 1.00 0.00 C +ATOM 63 CA ALA A 63 234.621 254.016 243.473 1.00 0.00 C +ATOM 64 CA GLY A 64 232.960 251.018 245.137 1.00 0.00 C +ATOM 65 CA GLU A 65 229.305 249.973 245.403 1.00 0.00 C +ATOM 66 CA THR A 66 227.990 248.844 248.796 1.00 0.00 C +ATOM 67 CA GLN A 67 230.454 246.305 250.208 1.00 0.00 C +ATOM 68 CA ARG A 68 233.304 244.143 251.518 1.00 0.00 C +ATOM 69 CA GLY A 69 236.775 244.551 250.001 1.00 0.00 C +ATOM 70 CA GLY A 70 239.878 243.254 248.211 1.00 0.00 C +ATOM 71 CA ILE A 71 241.585 244.975 245.272 1.00 0.00 C +ATOM 72 CA PRO A 72 240.263 247.292 242.551 1.00 0.00 C +ATOM 73 CA ARG A 73 243.076 247.488 239.989 1.00 0.00 C +ATOM 74 CA GLY A 74 246.336 249.143 238.917 1.00 0.00 C +ATOM 75 CA LYS A 75 248.536 252.014 237.720 1.00 0.00 C +ATOM 76 CA GLY A 76 250.232 252.025 234.308 1.00 0.00 C +ATOM 77 CA PRO A 77 249.564 255.045 232.083 1.00 0.00 C +ATOM 78 CA ARG A 78 248.499 255.239 228.429 1.00 0.00 C +ATOM 79 CA GLY A 79 247.321 251.873 227.087 1.00 0.00 C +ATOM 80 CA GLY A 80 248.601 248.355 227.795 1.00 0.00 C +ATOM 81 CA LYS A 81 247.632 244.741 227.074 1.00 0.00 C +ATOM 82 CA THR A 82 250.237 241.974 227.351 1.00 0.00 C +ATOM 83 CA ASN A 83 249.941 238.964 225.034 1.00 0.00 C +ATOM 84 CA THR A 84 249.974 240.195 221.429 1.00 0.00 C +ATOM 85 CA ARG A 85 249.096 238.382 218.195 1.00 0.00 C +ATOM 86 CA ARG A 86 247.077 235.209 218.804 1.00 0.00 C +ATOM 87 CA THR A 87 244.352 233.536 216.733 1.00 0.00 C +ATOM 88 CA PRO A 88 242.459 231.671 214.002 1.00 0.00 C +ATOM 89 CA PRO A 89 242.850 227.884 213.859 1.00 0.00 C +ATOM 90 CA LYS A 90 241.702 226.556 210.478 1.00 0.00 C +ATOM 91 CA ALA A 91 242.323 228.738 207.417 1.00 0.00 C +ATOM 92 CA GLY A 92 240.264 230.594 204.803 1.00 0.00 C +ATOM 93 CA ALA A 93 239.813 229.565 201.163 1.00 0.00 C +ATOM 94 CA GLN A 94 241.824 226.591 199.889 1.00 0.00 C +ATOM 95 CA PRO A 95 245.323 225.182 199.351 1.00 0.00 C +ATOM 96 CA GLN A 96 246.556 222.346 197.126 1.00 0.00 C +ATOM 97 CA PRO A 97 248.582 219.708 198.983 1.00 0.00 C +ATOM 98 CA SER A 98 251.590 220.878 201.008 1.00 0.00 C +ATOM 99 CA ASN A 99 253.540 223.495 202.973 1.00 0.00 C +ATOM 100 CA ASN A 100 255.702 226.193 201.372 1.00 0.00 C +ATOM 101 CA ARG A 101 253.879 229.292 200.113 1.00 0.00 C +ATOM 102 CA LYS A 102 252.240 228.944 196.691 1.00 0.00 C +TER 103 LYS A 102 +END diff --git a/Viruses/P69592/P69592.dcd b/Viruses/P69592/P69592.dcd new file mode 100644 index 0000000000000000000000000000000000000000..77712339461d8bd2716d3056366c30479383c3de --- /dev/null +++ b/Viruses/P69592/P69592.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bac6761a30133307726ce8e4e4504ec34674ca826bd14ce40b80b871ffcbd01e +size 5360276 diff --git a/Viruses/P69592/top.pdb b/Viruses/P69592/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..31b5d57da73e44be40703acf3f34d5e674bb0b68 --- /dev/null +++ b/Viruses/P69592/top.pdb @@ -0,0 +1,42 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 266.590 212.822 266.426 1.00 0.00 C +ATOM 2 CA SER A 2 263.577 214.109 264.481 1.00 0.00 C +ATOM 3 CA LYS A 3 262.476 217.754 264.367 1.00 0.00 C +ATOM 4 CA GLY A 4 260.451 219.796 261.868 1.00 0.00 C +ATOM 5 CA LYS A 5 261.101 223.550 261.872 1.00 0.00 C +ATOM 6 CA LYS A 6 261.326 227.286 261.158 1.00 0.00 C +ATOM 7 CA ARG A 7 258.754 230.075 261.508 1.00 0.00 C +ATOM 8 CA SER A 8 255.780 231.823 263.125 1.00 0.00 C +ATOM 9 CA GLY A 9 253.804 234.424 261.162 1.00 0.00 C +ATOM 10 CA ALA A 10 252.131 237.738 260.305 1.00 0.00 C +ATOM 11 CA ARG A 11 249.870 238.778 257.420 1.00 0.00 C +ATOM 12 CA PRO A 12 248.240 242.209 257.123 1.00 0.00 C +ATOM 13 CA GLY A 13 246.673 245.587 257.929 1.00 0.00 C +ATOM 14 CA ARG A 14 243.005 245.842 258.925 1.00 0.00 C +ATOM 15 CA PRO A 15 239.726 244.345 257.690 1.00 0.00 C +ATOM 16 CA GLN A 16 237.265 246.652 255.918 1.00 0.00 C +ATOM 17 CA PRO A 17 234.945 248.009 253.218 1.00 0.00 C +ATOM 18 CA LEU A 18 234.828 251.363 251.414 1.00 0.00 C +ATOM 19 CA ARG A 19 236.858 251.454 248.191 1.00 0.00 C +ATOM 20 CA GLY A 20 239.989 253.619 248.341 1.00 0.00 C +ATOM 21 CA THR A 21 242.497 255.152 245.917 1.00 0.00 C +ATOM 22 CA LYS A 22 246.143 254.977 247.008 1.00 0.00 C +ATOM 23 CA GLY A 23 248.040 257.820 245.324 1.00 0.00 C +ATOM 24 CA LYS A 24 246.895 261.452 245.231 1.00 0.00 C +ATOM 25 CA ARG A 25 243.387 261.606 243.750 1.00 0.00 C +ATOM 26 CA LYS A 26 241.634 264.982 243.555 1.00 0.00 C +ATOM 27 CA GLY A 27 243.095 267.553 241.153 1.00 0.00 C +ATOM 28 CA ALA A 28 244.104 271.029 242.343 1.00 0.00 C +ATOM 29 CA ARG A 29 247.502 272.006 240.925 1.00 0.00 C +ATOM 30 CA LEU A 30 250.158 273.396 243.277 1.00 0.00 C +ATOM 31 CA TRP A 31 253.927 273.958 243.320 1.00 0.00 C +ATOM 32 CA TYR A 32 255.872 270.760 242.611 1.00 0.00 C +ATOM 33 CA VAL A 33 255.371 268.878 239.336 1.00 0.00 C +ATOM 34 CA GLY A 34 258.053 267.871 236.824 1.00 0.00 C +ATOM 35 CA GLY A 35 258.386 265.674 233.729 1.00 0.00 C +ATOM 36 CA GLN A 36 255.719 264.057 231.540 1.00 0.00 C +ATOM 37 CA GLN A 37 252.680 265.883 230.145 1.00 0.00 C +ATOM 38 CA PHE A 38 249.151 265.711 231.571 1.00 0.00 C +TER 39 PHE A 38 +END diff --git a/Viruses/P87543/P87543.dcd b/Viruses/P87543/P87543.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a56c2797116fa232ecbb5bd48bb2594506b42fb9 --- /dev/null +++ b/Viruses/P87543/P87543.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2de70b9409bdf02c6196c9e627daf463b76e956ae237ebad6a7404a17d41fa29 +size 22160276 diff --git a/Viruses/P87543/top.pdb b/Viruses/P87543/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ce380c1e2aedf8794f9a8fe596fe0405cb62124d --- /dev/null +++ b/Viruses/P87543/top.pdb @@ -0,0 +1,182 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA HIS A 1 242.453 297.668 161.952 1.00 0.00 C +ATOM 2 CA THR A 2 239.092 295.968 161.377 1.00 0.00 C +ATOM 3 CA SER A 3 237.621 294.058 164.327 1.00 0.00 C +ATOM 4 CA PRO A 4 238.807 294.745 167.883 1.00 0.00 C +ATOM 5 CA PHE A 5 241.796 296.281 169.677 1.00 0.00 C +ATOM 6 CA PHE A 6 242.845 294.920 173.077 1.00 0.00 C +ATOM 7 CA THR A 7 245.653 293.199 174.992 1.00 0.00 C +ATOM 8 CA GLU A 8 246.077 289.576 176.093 1.00 0.00 C +ATOM 9 CA HIS A 9 246.827 286.378 174.163 1.00 0.00 C +ATOM 10 CA ASN A 10 249.371 284.693 171.881 1.00 0.00 C +ATOM 11 CA TYR A 11 252.452 283.128 173.486 1.00 0.00 C +ATOM 12 CA LYS A 12 255.126 283.642 176.150 1.00 0.00 C +ATOM 13 CA SER A 13 256.106 280.817 178.512 1.00 0.00 C +ATOM 14 CA THR A 14 256.296 278.746 181.705 1.00 0.00 C +ATOM 15 CA HIS A 15 258.777 278.748 184.597 1.00 0.00 C +ATOM 16 CA THR A 16 258.191 276.807 187.822 1.00 0.00 C +ATOM 17 CA SER A 17 255.829 273.894 187.151 1.00 0.00 C +ATOM 18 CA ILE A 18 255.795 270.084 187.128 1.00 0.00 C +ATOM 19 CA GLN A 19 256.340 266.394 187.906 1.00 0.00 C +ATOM 20 CA GLY A 20 259.411 265.792 190.079 1.00 0.00 C +ATOM 21 CA THR A 21 262.198 266.339 192.619 1.00 0.00 C +ATOM 22 CA THR A 22 262.712 268.799 195.482 1.00 0.00 C +ATOM 23 CA PRO A 23 262.737 271.544 198.124 1.00 0.00 C +ATOM 24 CA PRO A 24 260.019 270.839 200.699 1.00 0.00 C +ATOM 25 CA GLN A 25 258.819 267.233 200.434 1.00 0.00 C +ATOM 26 CA LEU A 26 255.385 265.602 200.695 1.00 0.00 C +ATOM 27 CA PRO A 27 255.839 262.054 202.006 1.00 0.00 C +ATOM 28 CA ASN A 28 255.462 259.430 204.743 1.00 0.00 C +ATOM 29 CA THR A 29 253.184 257.456 207.074 1.00 0.00 C +ATOM 30 CA ASP A 30 252.466 254.159 205.305 1.00 0.00 C +ATOM 31 CA THR A 31 252.647 250.672 206.830 1.00 0.00 C +ATOM 32 CA THR A 32 254.030 247.129 206.597 1.00 0.00 C +ATOM 33 CA ARG A 33 252.056 243.878 206.371 1.00 0.00 C +ATOM 34 CA GLU A 34 249.681 241.310 204.861 1.00 0.00 C +ATOM 35 CA THR A 35 246.903 240.172 207.207 1.00 0.00 C +ATOM 36 CA THR A 36 245.769 237.275 209.406 1.00 0.00 C +ATOM 37 CA TYR A 37 243.832 237.279 212.688 1.00 0.00 C +ATOM 38 CA SER A 38 245.524 235.073 215.293 1.00 0.00 C +ATOM 39 CA HIS A 39 245.579 231.475 214.041 1.00 0.00 C +ATOM 40 CA SER A 40 248.057 229.063 212.441 1.00 0.00 C +ATOM 41 CA ILE A 41 251.417 229.550 210.712 1.00 0.00 C +ATOM 42 CA ASN A 42 254.890 229.999 212.213 1.00 0.00 C +ATOM 43 CA GLU A 43 254.835 232.404 215.168 1.00 0.00 C +ATOM 44 CA THR A 44 256.817 234.976 217.162 1.00 0.00 C +ATOM 45 CA GLN A 45 258.069 233.547 220.464 1.00 0.00 C +ATOM 46 CA ASP A 46 260.109 231.357 222.822 1.00 0.00 C +ATOM 47 CA ARG A 47 259.932 232.051 226.564 1.00 0.00 C +ATOM 48 CA LYS A 48 261.251 230.715 229.880 1.00 0.00 C +ATOM 49 CA THR A 49 264.761 231.428 231.179 1.00 0.00 C +ATOM 50 CA LYS A 50 267.575 233.910 231.840 1.00 0.00 C +ATOM 51 CA SER A 51 267.645 236.794 229.351 1.00 0.00 C +ATOM 52 CA GLN A 52 270.891 238.717 229.882 1.00 0.00 C +ATOM 53 CA SER A 53 273.317 239.610 232.681 1.00 0.00 C +ATOM 54 CA THR A 54 276.250 239.449 235.107 1.00 0.00 C +ATOM 55 CA LEU A 55 275.280 240.526 238.631 1.00 0.00 C +ATOM 56 CA PRO A 56 273.513 238.388 241.243 1.00 0.00 C +ATOM 57 CA ALA A 57 271.543 235.309 242.318 1.00 0.00 C +ATOM 58 CA THR A 58 269.970 234.275 245.631 1.00 0.00 C +ATOM 59 CA ARG A 59 269.765 232.942 249.194 1.00 0.00 C +ATOM 60 CA LYS A 60 269.547 234.424 252.697 1.00 0.00 C +ATOM 61 CA PRO A 61 271.754 233.199 255.550 1.00 0.00 C +ATOM 62 CA PRO A 62 273.753 235.891 257.360 1.00 0.00 C +ATOM 63 CA ILE A 63 276.679 238.016 256.161 1.00 0.00 C +ATOM 64 CA ASN A 64 277.085 241.800 256.332 1.00 0.00 C +ATOM 65 CA PRO A 65 278.034 243.659 259.519 1.00 0.00 C +ATOM 66 CA SER A 66 277.938 246.894 261.530 1.00 0.00 C +ATOM 67 CA GLY A 67 277.145 250.587 261.032 1.00 0.00 C +ATOM 68 CA SER A 68 276.115 253.495 263.269 1.00 0.00 C +ATOM 69 CA ASN A 69 272.490 254.540 262.738 1.00 0.00 C +ATOM 70 CA PRO A 70 269.749 251.896 262.834 1.00 0.00 C +ATOM 71 CA PRO A 71 267.162 250.842 260.243 1.00 0.00 C +ATOM 72 CA GLU A 72 264.169 249.287 262.014 1.00 0.00 C +ATOM 73 CA ASN A 73 260.930 247.941 263.503 1.00 0.00 C +ATOM 74 CA HIS A 74 259.388 245.423 261.095 1.00 0.00 C +ATOM 75 CA GLN A 75 258.280 241.879 261.948 1.00 0.00 C +ATOM 76 CA ASP A 76 259.313 238.855 264.022 1.00 0.00 C +ATOM 77 CA HIS A 77 257.988 237.067 267.115 1.00 0.00 C +ATOM 78 CA ASN A 78 259.718 233.929 268.411 1.00 0.00 C +ATOM 79 CA ASN A 79 259.505 230.165 268.955 1.00 0.00 C +ATOM 80 CA SER A 80 262.057 227.427 268.241 1.00 0.00 C +ATOM 81 CA GLN A 81 260.422 224.867 265.941 1.00 0.00 C +ATOM 82 CA THR A 82 256.972 223.320 266.412 1.00 0.00 C +ATOM 83 CA LEU A 83 253.235 223.903 266.868 1.00 0.00 C +ATOM 84 CA PRO A 84 250.103 225.327 268.505 1.00 0.00 C +ATOM 85 CA HIS A 85 246.584 226.293 267.411 1.00 0.00 C +ATOM 86 CA VAL A 86 244.311 223.239 267.557 1.00 0.00 C +ATOM 87 CA PRO A 87 244.522 220.315 265.125 1.00 0.00 C +ATOM 88 CA CYS A 88 241.356 219.772 263.075 1.00 0.00 C +ATOM 89 CA SER A 89 238.449 218.320 265.064 1.00 0.00 C +ATOM 90 CA THR A 90 236.500 216.253 267.602 1.00 0.00 C +ATOM 91 CA CYS A 91 234.489 213.209 266.507 1.00 0.00 C +ATOM 92 CA GLU A 92 232.619 212.362 263.297 1.00 0.00 C +ATOM 93 CA GLY A 93 231.272 215.575 261.755 1.00 0.00 C +ATOM 94 CA ASN A 94 232.426 216.602 258.273 1.00 0.00 C +ATOM 95 CA PRO A 95 236.086 216.819 257.236 1.00 0.00 C +ATOM 96 CA ALA A 96 236.901 213.434 255.689 1.00 0.00 C +ATOM 97 CA CYS A 97 240.668 212.998 255.320 1.00 0.00 C +ATOM 98 CA SER A 98 244.399 213.640 254.892 1.00 0.00 C +ATOM 99 CA SER A 99 244.751 215.521 251.597 1.00 0.00 C +ATOM 100 CA LEU A 100 242.658 218.691 251.887 1.00 0.00 C +ATOM 101 CA CYS A 101 243.990 222.197 251.216 1.00 0.00 C +ATOM 102 CA GLN A 102 243.411 224.356 248.130 1.00 0.00 C +ATOM 103 CA ILE A 103 241.325 227.482 247.503 1.00 0.00 C +ATOM 104 CA GLY A 104 237.686 227.417 248.630 1.00 0.00 C +ATOM 105 CA PRO A 105 236.728 228.710 252.083 1.00 0.00 C +ATOM 106 CA GLU A 106 238.823 231.453 253.698 1.00 0.00 C +ATOM 107 CA ARG A 107 240.366 230.813 257.122 1.00 0.00 C +ATOM 108 CA ALA A 108 239.597 227.365 258.549 1.00 0.00 C +ATOM 109 CA SER A 109 236.021 227.642 259.835 1.00 0.00 C +ATOM 110 CA SER A 110 234.468 228.561 263.191 1.00 0.00 C +ATOM 111 CA ARG A 111 233.651 231.975 264.672 1.00 0.00 C +ATOM 112 CA ALA A 112 236.475 233.418 266.783 1.00 0.00 C +ATOM 113 CA PRO A 113 238.401 235.596 269.245 1.00 0.00 C +ATOM 114 CA THR A 114 236.459 236.681 272.338 1.00 0.00 C +ATOM 115 CA ILE A 115 234.841 237.947 275.547 1.00 0.00 C +ATOM 116 CA THR A 116 234.471 237.044 279.230 1.00 0.00 C +ATOM 117 CA LEU A 117 234.876 233.258 279.368 1.00 0.00 C +ATOM 118 CA LYS A 118 238.170 231.411 278.867 1.00 0.00 C +ATOM 119 CA LYS A 119 237.391 228.729 276.275 1.00 0.00 C +ATOM 120 CA THR A 120 239.886 227.248 273.806 1.00 0.00 C +ATOM 121 CA PRO A 121 243.446 226.504 274.940 1.00 0.00 C +ATOM 122 CA LYS A 122 247.009 227.818 274.638 1.00 0.00 C +ATOM 123 CA PRO A 123 249.551 230.487 275.603 1.00 0.00 C +ATOM 124 CA LYS A 124 252.960 231.310 274.112 1.00 0.00 C +ATOM 125 CA THR A 125 253.925 234.914 274.881 1.00 0.00 C +ATOM 126 CA THR A 126 254.504 236.690 278.202 1.00 0.00 C +ATOM 127 CA LYS A 127 255.296 240.409 278.436 1.00 0.00 C +ATOM 128 CA LYS A 128 256.621 241.293 274.975 1.00 0.00 C +ATOM 129 CA PRO A 129 255.478 244.560 273.382 1.00 0.00 C +ATOM 130 CA THR A 130 252.295 245.646 271.592 1.00 0.00 C +ATOM 131 CA LYS A 131 249.943 242.809 270.625 1.00 0.00 C +ATOM 132 CA THR A 132 246.753 240.788 270.122 1.00 0.00 C +ATOM 133 CA THR A 133 243.496 240.579 268.157 1.00 0.00 C +ATOM 134 CA ILE A 134 240.121 242.303 268.547 1.00 0.00 C +ATOM 135 CA HIS A 135 239.866 244.415 271.708 1.00 0.00 C +ATOM 136 CA ARG A 136 237.578 247.446 271.403 1.00 0.00 C +ATOM 137 CA LYS A 137 234.683 247.652 273.871 1.00 0.00 C +ATOM 138 CA THR A 138 234.528 250.534 276.358 1.00 0.00 C +ATOM 139 CA SER A 139 237.407 252.619 277.729 1.00 0.00 C +ATOM 140 CA PRO A 140 239.727 253.683 274.900 1.00 0.00 C +ATOM 141 CA GLU A 141 239.057 256.403 272.317 1.00 0.00 C +ATOM 142 CA ALA A 142 240.347 259.226 270.108 1.00 0.00 C +ATOM 143 CA LYS A 143 243.111 260.541 267.839 1.00 0.00 C +ATOM 144 CA PRO A 144 246.659 259.279 268.418 1.00 0.00 C +ATOM 145 CA GLN A 145 250.210 257.962 268.831 1.00 0.00 C +ATOM 146 CA PRO A 146 252.337 258.597 271.928 1.00 0.00 C +ATOM 147 CA LYS A 147 254.244 261.848 271.369 1.00 0.00 C +ATOM 148 CA ASN A 148 252.801 265.364 271.099 1.00 0.00 C +ATOM 149 CA ASN A 149 249.788 267.690 270.932 1.00 0.00 C +ATOM 150 CA THR A 150 248.197 270.836 272.375 1.00 0.00 C +ATOM 151 CA ALA A 151 248.060 273.927 274.600 1.00 0.00 C +ATOM 152 CA ALA A 152 244.611 273.929 276.218 1.00 0.00 C +ATOM 153 CA PRO A 153 243.083 277.247 275.136 1.00 0.00 C +ATOM 154 CA GLN A 154 245.271 280.287 275.837 1.00 0.00 C +ATOM 155 CA GLN A 155 248.720 281.210 277.166 1.00 0.00 C +ATOM 156 CA GLY A 156 249.022 284.596 278.887 1.00 0.00 C +ATOM 157 CA ILE A 157 247.212 285.996 281.933 1.00 0.00 C +ATOM 158 CA LEU A 158 244.139 284.034 283.040 1.00 0.00 C +ATOM 159 CA SER A 159 241.703 284.872 285.847 1.00 0.00 C +ATOM 160 CA SER A 160 242.743 283.233 289.126 1.00 0.00 C +ATOM 161 CA PRO A 161 244.617 283.300 292.442 1.00 0.00 C +ATOM 162 CA GLU A 162 244.203 280.773 295.263 1.00 0.00 C +ATOM 163 CA HIS A 163 242.598 277.476 294.227 1.00 0.00 C +ATOM 164 CA HIS A 164 239.652 275.381 295.430 1.00 0.00 C +ATOM 165 CA THR A 165 238.306 272.210 297.058 1.00 0.00 C +ATOM 166 CA ASN A 166 240.351 270.188 299.557 1.00 0.00 C +ATOM 167 CA GLN A 167 240.140 266.881 301.437 1.00 0.00 C +ATOM 168 CA SER A 168 240.501 266.589 305.219 1.00 0.00 C +ATOM 169 CA THR A 169 239.487 268.841 308.120 1.00 0.00 C +ATOM 170 CA THR A 170 238.768 269.801 311.736 1.00 0.00 C +ATOM 171 CA GLN A 171 237.501 273.274 312.655 1.00 0.00 C +ATOM 172 CA ILE A 172 238.164 277.023 312.489 1.00 0.00 C +ATOM 173 CA GLN A 173 239.245 280.307 314.089 1.00 0.00 C +ATOM 174 CA GLN A 174 237.125 283.071 315.633 1.00 0.00 C +ATOM 175 CA HIS A 175 239.299 285.695 317.337 1.00 0.00 C +ATOM 176 CA THR A 176 240.360 289.251 316.474 1.00 0.00 C +ATOM 177 CA SER A 177 238.032 291.832 314.913 1.00 0.00 C +ATOM 178 CA ILE A 178 235.001 293.318 313.147 1.00 0.00 C +TER 179 ILE A 178 +END diff --git a/Viruses/P87914/P87914.dcd b/Viruses/P87914/P87914.dcd new file mode 100644 index 0000000000000000000000000000000000000000..95ccd5bb5f75b12b25b5b3f44d12d1208efc05a7 --- /dev/null +++ b/Viruses/P87914/P87914.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b04596d155f53fe8a2f3d53ad31d8e76a978f74175ce5ccf759e3541f5d1d11e +size 11600276 diff --git a/Viruses/P87914/top.pdb b/Viruses/P87914/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..72f7ba0694639d8acfaa7a03510c64f021ed2fa1 --- /dev/null +++ b/Viruses/P87914/top.pdb @@ -0,0 +1,94 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 221.670 265.573 236.270 1.00 0.00 C +ATOM 2 CA GLU A 2 224.409 266.923 233.990 1.00 0.00 C +ATOM 3 CA PRO A 3 227.124 265.896 231.523 1.00 0.00 C +ATOM 4 CA ARG A 4 230.251 263.885 230.689 1.00 0.00 C +ATOM 5 CA PRO A 5 230.265 260.278 229.464 1.00 0.00 C +ATOM 6 CA GLY A 6 232.879 258.187 231.284 1.00 0.00 C +ATOM 7 CA ALA A 7 234.689 255.433 233.195 1.00 0.00 C +ATOM 8 CA SER A 8 234.230 253.255 236.287 1.00 0.00 C +ATOM 9 CA THR A 9 232.555 249.854 236.665 1.00 0.00 C +ATOM 10 CA ARG A 10 230.745 246.507 236.857 1.00 0.00 C +ATOM 11 CA ARG A 11 227.628 245.582 234.871 1.00 0.00 C +ATOM 12 CA PRO A 12 226.310 242.266 236.207 1.00 0.00 C +ATOM 13 CA GLU A 13 229.381 240.021 236.422 1.00 0.00 C +ATOM 14 CA GLY A 14 232.607 240.544 238.380 1.00 0.00 C +ATOM 15 CA ARG A 15 234.938 241.888 241.077 1.00 0.00 C +ATOM 16 CA PRO A 16 236.299 245.412 240.582 1.00 0.00 C +ATOM 17 CA GLN A 17 236.376 248.916 242.076 1.00 0.00 C +ATOM 18 CA ARG A 18 237.539 252.488 242.710 1.00 0.00 C +ATOM 19 CA GLU A 19 235.498 255.679 243.122 1.00 0.00 C +ATOM 20 CA GLU A 20 235.565 256.868 246.741 1.00 0.00 C +ATOM 21 CA PRO A 21 237.313 260.116 247.694 1.00 0.00 C +ATOM 22 CA PRO A 22 240.899 260.511 248.919 1.00 0.00 C +ATOM 23 CA ALA A 23 243.605 258.008 249.884 1.00 0.00 C +ATOM 24 CA ILE A 24 246.836 259.300 248.332 1.00 0.00 C +ATOM 25 CA PHE A 25 248.721 262.093 250.109 1.00 0.00 C +ATOM 26 CA GLY A 26 252.391 261.782 251.084 1.00 0.00 C +ATOM 27 CA GLY A 27 253.789 259.347 253.660 1.00 0.00 C +ATOM 28 CA ARG A 28 251.398 257.878 256.236 1.00 0.00 C +ATOM 29 CA ARG A 29 249.975 260.122 258.966 1.00 0.00 C +ATOM 30 CA GLY A 30 246.399 259.084 259.776 1.00 0.00 C +ATOM 31 CA THR A 31 243.208 261.114 260.235 1.00 0.00 C +ATOM 32 CA PRO A 32 243.472 264.197 262.458 1.00 0.00 C +ATOM 33 CA ASP A 33 242.834 264.171 266.214 1.00 0.00 C +ATOM 34 CA SER A 34 242.410 260.583 267.423 1.00 0.00 C +ATOM 35 CA GLY A 35 243.156 257.432 269.430 1.00 0.00 C +ATOM 36 CA ALA A 36 240.512 254.768 270.083 1.00 0.00 C +ATOM 37 CA SER A 37 239.141 253.229 266.879 1.00 0.00 C +ATOM 38 CA GLY A 38 236.699 250.546 265.716 1.00 0.00 C +ATOM 39 CA GLY A 39 236.842 247.139 267.416 1.00 0.00 C +ATOM 40 CA ARG A 40 239.458 244.536 266.469 1.00 0.00 C +ATOM 41 CA GLU A 41 241.874 242.883 264.031 1.00 0.00 C +ATOM 42 CA LYS A 42 243.913 243.308 260.841 1.00 0.00 C +ATOM 43 CA ARG A 43 246.631 245.908 261.449 1.00 0.00 C +ATOM 44 CA GLU A 44 250.378 245.448 260.933 1.00 0.00 C +ATOM 45 CA GLU A 45 253.728 246.795 262.148 1.00 0.00 C +ATOM 46 CA GLU A 46 257.046 248.362 261.124 1.00 0.00 C +ATOM 47 CA GLY A 47 256.928 251.660 259.220 1.00 0.00 C +ATOM 48 CA SER A 48 260.209 253.075 257.896 1.00 0.00 C +ATOM 49 CA GLY A 49 259.558 256.492 256.342 1.00 0.00 C +ATOM 50 CA SER A 50 261.147 258.933 258.799 1.00 0.00 C +ATOM 51 CA LYS A 51 263.799 260.910 256.908 1.00 0.00 C +ATOM 52 CA GLY A 52 264.992 262.340 253.584 1.00 0.00 C +ATOM 53 CA ARG A 53 262.710 261.650 250.612 1.00 0.00 C +ATOM 54 CA THR A 54 261.018 258.348 249.747 1.00 0.00 C +ATOM 55 CA GLN A 55 260.524 257.452 246.077 1.00 0.00 C +ATOM 56 CA THR A 56 259.133 257.769 242.544 1.00 0.00 C +ATOM 57 CA THR A 57 261.299 257.724 239.410 1.00 0.00 C +ATOM 58 CA PHE A 58 263.770 257.549 236.515 1.00 0.00 C +ATOM 59 CA GLY A 59 266.666 255.605 234.981 1.00 0.00 C +ATOM 60 CA CYS A 60 266.838 251.854 234.336 1.00 0.00 C +ATOM 61 CA ARG A 61 264.796 249.768 231.888 1.00 0.00 C +ATOM 62 CA PRO A 62 264.228 246.031 231.414 1.00 0.00 C +ATOM 63 CA LEU A 63 261.879 244.886 234.186 1.00 0.00 C +ATOM 64 CA SER A 64 263.720 243.695 237.302 1.00 0.00 C +ATOM 65 CA PRO A 65 263.355 242.930 241.017 1.00 0.00 C +ATOM 66 CA PRO A 66 263.041 243.788 244.715 1.00 0.00 C +ATOM 67 CA SER A 67 259.344 243.300 245.497 1.00 0.00 C +ATOM 68 CA SER A 68 256.812 246.049 244.760 1.00 0.00 C +ATOM 69 CA GLU A 69 255.768 247.468 248.139 1.00 0.00 C +ATOM 70 CA ALA A 70 252.913 249.838 249.002 1.00 0.00 C +ATOM 71 CA SER A 71 249.966 252.054 249.962 1.00 0.00 C +ATOM 72 CA ARG A 72 247.597 251.108 252.792 1.00 0.00 C +ATOM 73 CA GLY A 73 246.628 247.778 254.370 1.00 0.00 C +ATOM 74 CA ALA A 74 245.154 244.443 253.264 1.00 0.00 C +ATOM 75 CA GLY A 75 246.979 241.100 253.170 1.00 0.00 C +ATOM 76 CA LEU A 76 248.934 240.737 256.420 1.00 0.00 C +ATOM 77 CA CYS A 77 249.678 237.597 258.445 1.00 0.00 C +ATOM 78 CA GLU A 78 251.085 234.363 257.004 1.00 0.00 C +ATOM 79 CA ALA A 79 254.384 232.524 256.504 1.00 0.00 C +ATOM 80 CA GLY A 80 257.805 233.553 255.181 1.00 0.00 C +ATOM 81 CA GLY A 81 260.828 231.475 256.210 1.00 0.00 C +ATOM 82 CA GLY A 82 264.621 231.814 256.080 1.00 0.00 C +ATOM 83 CA GLU A 83 268.395 232.179 255.707 1.00 0.00 C +ATOM 84 CA GLY A 84 271.263 229.879 254.705 1.00 0.00 C +ATOM 85 CA GLU A 85 274.936 229.962 253.698 1.00 0.00 C +ATOM 86 CA LEU A 86 277.750 231.894 255.390 1.00 0.00 C +ATOM 87 CA VAL A 87 277.366 234.484 258.158 1.00 0.00 C +ATOM 88 CA GLY A 88 277.955 238.214 258.666 1.00 0.00 C +ATOM 89 CA ALA A 89 277.193 240.776 261.381 1.00 0.00 C +ATOM 90 CA ASP A 90 273.449 240.833 262.083 1.00 0.00 C +TER 91 ASP A 90 +END diff --git a/Viruses/P89479/P89479.dcd b/Viruses/P89479/P89479.dcd new file mode 100644 index 0000000000000000000000000000000000000000..93d6fbd53693980da44b71dc2107266bd03d84ba --- /dev/null +++ b/Viruses/P89479/P89479.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b3bebd582698a64835f19cdbc5eaf37c539bcd081717804235bcf85fd20db216 +size 18920276 diff --git a/Viruses/P89479/top.pdb b/Viruses/P89479/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..36581ab7edf6b17c8fa556327211efe35326abdb --- /dev/null +++ b/Viruses/P89479/top.pdb @@ -0,0 +1,155 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 270.727 253.807 211.176 1.00 0.00 C +ATOM 2 CA ALA A 2 270.833 251.872 207.896 1.00 0.00 C +ATOM 3 CA SER A 3 269.299 248.391 207.684 1.00 0.00 C +ATOM 4 CA GLY A 4 267.436 248.308 204.362 1.00 0.00 C +ATOM 5 CA VAL A 5 265.229 245.247 203.838 1.00 0.00 C +ATOM 6 CA SER A 6 266.786 242.112 205.343 1.00 0.00 C +ATOM 7 CA PRO A 7 269.262 240.545 202.908 1.00 0.00 C +ATOM 8 CA ALA A 8 268.477 240.409 199.182 1.00 0.00 C +ATOM 9 CA HIS A 9 265.776 241.674 196.811 1.00 0.00 C +ATOM 10 CA PRO A 10 265.476 241.012 193.071 1.00 0.00 C +ATOM 11 CA GLN A 11 267.334 243.364 190.719 1.00 0.00 C +ATOM 12 CA THR A 12 270.191 245.718 189.817 1.00 0.00 C +ATOM 13 CA PRO A 13 272.239 248.800 188.910 1.00 0.00 C +ATOM 14 CA VAL A 14 275.796 249.877 189.751 1.00 0.00 C +ATOM 15 CA GLY A 15 278.839 251.703 191.138 1.00 0.00 C +ATOM 16 CA ALA A 16 278.968 254.295 193.927 1.00 0.00 C +ATOM 17 CA GLY A 17 279.881 255.650 197.369 1.00 0.00 C +ATOM 18 CA SER A 18 283.494 256.854 197.460 1.00 0.00 C +ATOM 19 CA ARG A 19 285.898 255.248 199.941 1.00 0.00 C +ATOM 20 CA ASP A 20 285.898 251.508 200.667 1.00 0.00 C +ATOM 21 CA LEU A 21 282.824 249.422 199.823 1.00 0.00 C +ATOM 22 CA SER A 22 280.294 246.783 198.752 1.00 0.00 C +ATOM 23 CA LEU A 23 281.041 245.002 195.467 1.00 0.00 C +ATOM 24 CA LYS A 24 284.013 246.417 193.549 1.00 0.00 C +ATOM 25 CA GLY A 25 287.210 245.051 195.107 1.00 0.00 C +ATOM 26 CA THR A 26 289.467 244.861 198.170 1.00 0.00 C +ATOM 27 CA PRO A 27 293.240 245.354 197.967 1.00 0.00 C +ATOM 28 CA SER A 28 296.684 243.901 198.701 1.00 0.00 C +ATOM 29 CA ASP A 29 298.544 245.310 201.713 1.00 0.00 C +ATOM 30 CA GLY A 30 301.791 243.435 202.395 1.00 0.00 C +ATOM 31 CA MET A 31 304.022 245.994 204.125 1.00 0.00 C +ATOM 32 CA GLN A 32 305.612 247.101 207.405 1.00 0.00 C +ATOM 33 CA PRO A 33 305.511 248.751 210.838 1.00 0.00 C +ATOM 34 CA ARG A 34 304.312 252.296 211.554 1.00 0.00 C +ATOM 35 CA GLY A 35 304.164 254.564 214.612 1.00 0.00 C +ATOM 36 CA ALA A 36 302.519 257.796 215.779 1.00 0.00 C +ATOM 37 CA ASP A 37 299.874 259.667 213.774 1.00 0.00 C +ATOM 38 CA THR A 38 296.084 259.525 214.136 1.00 0.00 C +ATOM 39 CA LEU A 39 293.985 262.692 214.426 1.00 0.00 C +ATOM 40 CA GLU A 40 291.912 263.915 211.472 1.00 0.00 C +ATOM 41 CA GLY A 41 289.635 266.708 210.236 1.00 0.00 C +ATOM 42 CA HIS A 42 286.008 266.498 209.086 1.00 0.00 C +ATOM 43 CA SER A 43 283.566 269.336 209.790 1.00 0.00 C +ATOM 44 CA LEU A 44 284.702 272.319 211.869 1.00 0.00 C +ATOM 45 CA PRO A 45 283.458 271.984 215.454 1.00 0.00 C +ATOM 46 CA THR A 46 281.214 270.470 218.136 1.00 0.00 C +ATOM 47 CA ASP A 47 280.745 269.616 221.820 1.00 0.00 C +ATOM 48 CA GLY A 48 278.947 272.087 224.095 1.00 0.00 C +ATOM 49 CA PRO A 49 281.409 274.794 225.155 1.00 0.00 C +ATOM 50 CA PRO A 50 285.098 273.998 225.674 1.00 0.00 C +ATOM 51 CA HIS A 51 287.215 273.836 228.838 1.00 0.00 C +ATOM 52 CA ARG A 52 286.049 271.159 231.286 1.00 0.00 C +ATOM 53 CA GLY A 53 285.867 271.639 235.061 1.00 0.00 C +ATOM 54 CA GLY A 54 285.220 268.309 236.795 1.00 0.00 C +ATOM 55 CA ASP A 55 281.767 267.226 237.987 1.00 0.00 C +ATOM 56 CA HIS A 56 279.068 268.237 235.495 1.00 0.00 C +ATOM 57 CA ASP A 57 278.080 266.399 232.306 1.00 0.00 C +ATOM 58 CA PRO A 58 275.721 266.401 229.315 1.00 0.00 C +ATOM 59 CA ALA A 59 272.208 265.171 230.127 1.00 0.00 C +ATOM 60 CA ALA A 60 271.996 265.379 233.925 1.00 0.00 C +ATOM 61 CA GLY A 61 269.346 266.755 236.291 1.00 0.00 C +ATOM 62 CA LYS A 62 265.803 265.501 235.667 1.00 0.00 C +ATOM 63 CA ARG A 63 263.134 266.018 238.336 1.00 0.00 C +ATOM 64 CA GLY A 64 262.240 265.235 241.956 1.00 0.00 C +ATOM 65 CA ASP A 65 262.929 264.008 245.496 1.00 0.00 C +ATOM 66 CA SER A 66 263.225 261.396 248.254 1.00 0.00 C +ATOM 67 CA GLY A 67 263.780 263.114 251.610 1.00 0.00 C +ATOM 68 CA LEU A 68 262.422 263.022 255.168 1.00 0.00 C +ATOM 69 CA LEU A 69 262.507 261.867 258.798 1.00 0.00 C +ATOM 70 CA ARG A 70 261.395 258.448 260.060 1.00 0.00 C +ATOM 71 CA VAL A 71 259.551 256.724 262.913 1.00 0.00 C +ATOM 72 CA CYS A 72 255.894 257.767 263.147 1.00 0.00 C +ATOM 73 CA ALA A 73 253.188 257.500 260.478 1.00 0.00 C +ATOM 74 CA ALA A 74 249.662 256.105 260.102 1.00 0.00 C +ATOM 75 CA LEU A 75 248.226 252.987 258.449 1.00 0.00 C +ATOM 76 CA SER A 76 249.296 249.525 257.271 1.00 0.00 C +ATOM 77 CA ILE A 77 250.778 246.280 255.933 1.00 0.00 C +ATOM 78 CA PRO A 78 250.154 245.454 252.267 1.00 0.00 C +ATOM 79 CA LYS A 79 246.954 244.318 250.539 1.00 0.00 C +ATOM 80 CA PRO A 80 247.123 244.664 246.748 1.00 0.00 C +ATOM 81 CA SER A 81 244.546 245.812 244.187 1.00 0.00 C +ATOM 82 CA GLU A 82 241.169 245.011 242.615 1.00 0.00 C +ATOM 83 CA ALA A 83 237.827 243.520 243.674 1.00 0.00 C +ATOM 84 CA VAL A 84 237.642 241.571 246.943 1.00 0.00 C +ATOM 85 CA ARG A 85 239.422 238.838 248.912 1.00 0.00 C +ATOM 86 CA PRO A 86 237.690 235.788 250.400 1.00 0.00 C +ATOM 87 CA SER A 87 237.630 235.666 254.208 1.00 0.00 C +ATOM 88 CA ARG A 88 234.949 234.733 256.748 1.00 0.00 C +ATOM 89 CA ILE A 89 232.093 232.541 257.997 1.00 0.00 C +ATOM 90 CA PRO A 90 232.248 232.558 261.804 1.00 0.00 C +ATOM 91 CA ARG A 91 230.179 233.183 264.942 1.00 0.00 C +ATOM 92 CA ALA A 92 231.024 232.984 268.652 1.00 0.00 C +ATOM 93 CA PRO A 93 233.554 233.600 271.432 1.00 0.00 C +ATOM 94 CA ARG A 94 236.155 235.028 273.823 1.00 0.00 C +ATOM 95 CA VAL A 95 237.921 238.237 274.869 1.00 0.00 C +ATOM 96 CA PRO A 96 241.044 239.862 276.328 1.00 0.00 C +ATOM 97 CA ARG A 97 240.368 243.243 277.950 1.00 0.00 C +ATOM 98 CA GLU A 98 236.719 244.253 277.526 1.00 0.00 C +ATOM 99 CA PRO A 99 234.256 243.375 280.297 1.00 0.00 C +ATOM 100 CA ARG A 100 231.553 241.313 278.577 1.00 0.00 C +ATOM 101 CA VAL A 101 232.170 237.578 278.142 1.00 0.00 C +ATOM 102 CA PRO A 102 230.199 235.951 280.968 1.00 0.00 C +ATOM 103 CA ARG A 103 229.240 232.412 279.930 1.00 0.00 C +ATOM 104 CA GLU A 104 226.148 231.489 281.955 1.00 0.00 C +ATOM 105 CA PRO A 105 224.604 229.060 284.451 1.00 0.00 C +ATOM 106 CA ARG A 106 222.726 230.962 287.166 1.00 0.00 C +ATOM 107 CA GLU A 107 219.831 231.167 289.635 1.00 0.00 C +ATOM 108 CA PRO A 108 217.081 229.404 291.594 1.00 0.00 C +ATOM 109 CA ARG A 109 213.957 227.730 292.993 1.00 0.00 C +ATOM 110 CA VAL A 110 210.784 229.587 291.991 1.00 0.00 C +ATOM 111 CA PRO A 111 208.405 229.941 289.036 1.00 0.00 C +ATOM 112 CA ARG A 112 204.722 230.681 289.673 1.00 0.00 C +ATOM 113 CA SER A 113 202.312 233.056 291.425 1.00 0.00 C +ATOM 114 CA PRO A 114 199.225 235.275 291.172 1.00 0.00 C +ATOM 115 CA ARG A 115 197.819 238.709 290.308 1.00 0.00 C +ATOM 116 CA GLU A 116 198.899 241.966 291.965 1.00 0.00 C +ATOM 117 CA PRO A 117 199.973 245.525 291.131 1.00 0.00 C +ATOM 118 CA ARG A 118 197.405 248.252 291.828 1.00 0.00 C +ATOM 119 CA VAL A 119 194.987 248.142 294.771 1.00 0.00 C +ATOM 120 CA PRO A 120 192.958 251.308 295.381 1.00 0.00 C +ATOM 121 CA ARG A 121 195.060 254.344 296.322 1.00 0.00 C +ATOM 122 CA ILE A 122 197.281 256.585 294.187 1.00 0.00 C +ATOM 123 CA PRO A 123 197.386 260.061 292.632 1.00 0.00 C +ATOM 124 CA ARG A 124 198.704 263.436 293.812 1.00 0.00 C +ATOM 125 CA ASP A 125 198.536 266.189 291.183 1.00 0.00 C +ATOM 126 CA PRO A 126 200.113 267.608 288.018 1.00 0.00 C +ATOM 127 CA ARG A 127 203.005 265.345 287.002 1.00 0.00 C +ATOM 128 CA PRO A 128 204.836 262.603 288.911 1.00 0.00 C +ATOM 129 CA PRO A 129 202.924 259.309 288.804 1.00 0.00 C +ATOM 130 CA ARG A 130 205.092 256.759 286.984 1.00 0.00 C +ATOM 131 CA PRO A 131 208.414 255.151 286.036 1.00 0.00 C +ATOM 132 CA PRO A 132 209.068 254.298 282.381 1.00 0.00 C +ATOM 133 CA ARG A 133 210.670 252.378 279.506 1.00 0.00 C +ATOM 134 CA VAL A 134 211.236 248.610 279.478 1.00 0.00 C +ATOM 135 CA PRO A 135 213.438 246.086 281.294 1.00 0.00 C +ATOM 136 CA ARG A 136 214.663 246.462 284.882 1.00 0.00 C +ATOM 137 CA GLU A 137 214.854 243.163 286.778 1.00 0.00 C +ATOM 138 CA PRO A 138 216.110 239.955 288.406 1.00 0.00 C +ATOM 139 CA ARG A 139 218.992 239.087 290.742 1.00 0.00 C +ATOM 140 CA PRO A 140 221.637 240.005 293.326 1.00 0.00 C +ATOM 141 CA PRO A 141 223.813 237.095 294.472 1.00 0.00 C +ATOM 142 CA ARG A 142 226.940 236.355 296.519 1.00 0.00 C +ATOM 143 CA GLU A 143 229.494 237.072 299.254 1.00 0.00 C +ATOM 144 CA PRO A 144 230.723 240.655 299.663 1.00 0.00 C +ATOM 145 CA ARG A 145 232.129 243.072 302.251 1.00 0.00 C +ATOM 146 CA ALA A 146 229.401 245.216 303.825 1.00 0.00 C +ATOM 147 CA THR A 147 225.676 245.539 304.556 1.00 0.00 C +ATOM 148 CA ARG A 148 225.341 245.563 308.351 1.00 0.00 C +ATOM 149 CA GLY A 149 228.598 244.923 310.221 1.00 0.00 C +ATOM 150 CA LEU A 150 229.324 247.723 312.700 1.00 0.00 C +ATOM 151 CA ALA A 151 228.586 247.560 316.435 1.00 0.00 C +TER 152 ALA A 151 +END diff --git a/Viruses/P89827/P89827.dcd b/Viruses/P89827/P89827.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e435fd8ca615e2f5653ee8ccc3b644887c285e8b --- /dev/null +++ b/Viruses/P89827/P89827.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3cef8fbba6e863e957491641cb84317aabfd6ea5c267a6892f57ee700d0a809b +size 7880276 diff --git a/Viruses/P89827/top.pdb b/Viruses/P89827/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..338822a07ef0f788248293ff9815f4f7edb23c0e --- /dev/null +++ b/Viruses/P89827/top.pdb @@ -0,0 +1,63 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LEU A 1 245.155 279.720 231.840 1.00 0.00 C +ATOM 2 CA GLY A 2 241.802 281.146 232.952 1.00 0.00 C +ATOM 3 CA ILE A 3 240.019 283.550 230.595 1.00 0.00 C +ATOM 4 CA SER A 4 237.094 282.870 228.250 1.00 0.00 C +ATOM 5 CA TYR A 5 234.018 280.824 227.318 1.00 0.00 C +ATOM 6 CA GLY A 6 234.470 277.051 227.031 1.00 0.00 C +ATOM 7 CA ARG A 7 237.455 275.233 228.547 1.00 0.00 C +ATOM 8 CA LYS A 8 241.025 274.142 229.310 1.00 0.00 C +ATOM 9 CA LYS A 9 241.649 272.875 232.848 1.00 0.00 C +ATOM 10 CA ARG A 10 245.406 272.273 233.045 1.00 0.00 C +ATOM 11 CA ARG A 11 247.245 269.189 231.772 1.00 0.00 C +ATOM 12 CA PRO A 12 247.626 266.614 228.990 1.00 0.00 C +ATOM 13 CA ARG A 13 248.143 263.049 227.747 1.00 0.00 C +ATOM 14 CA ARG A 14 250.050 259.926 228.808 1.00 0.00 C +ATOM 15 CA GLY A 15 248.057 256.746 229.464 1.00 0.00 C +ATOM 16 CA PRO A 16 244.618 255.880 230.857 1.00 0.00 C +ATOM 17 CA TYR A 17 241.063 254.593 230.386 1.00 0.00 C +ATOM 18 CA GLN A 18 237.888 254.208 232.457 1.00 0.00 C +ATOM 19 CA SER A 19 236.405 256.898 234.711 1.00 0.00 C +ATOM 20 CA SER A 20 237.832 256.986 238.242 1.00 0.00 C +ATOM 21 CA LYS A 21 240.730 254.570 238.777 1.00 0.00 C +ATOM 22 CA ASP A 22 240.620 251.988 241.576 1.00 0.00 C +ATOM 23 CA HIS A 23 242.043 248.713 242.906 1.00 0.00 C +ATOM 24 CA GLN A 24 240.515 245.226 243.045 1.00 0.00 C +ATOM 25 CA ASN A 25 237.563 242.817 243.094 1.00 0.00 C +ATOM 26 CA PRO A 26 235.509 242.952 246.300 1.00 0.00 C +ATOM 27 CA ILE A 27 235.003 239.325 247.348 1.00 0.00 C +ATOM 28 CA PRO A 28 235.082 235.527 247.048 1.00 0.00 C +ATOM 29 CA LYS A 29 238.580 234.308 246.157 1.00 0.00 C +ATOM 30 CA GLN A 30 241.043 233.458 248.937 1.00 0.00 C +ATOM 31 CA SER A 31 244.146 231.460 249.883 1.00 0.00 C +ATOM 32 CA LEU A 32 247.951 231.632 249.799 1.00 0.00 C +ATOM 33 CA PRO A 33 249.395 234.940 248.578 1.00 0.00 C +ATOM 34 CA GLN A 34 252.404 237.252 248.239 1.00 0.00 C +ATOM 35 CA THR A 35 256.124 238.041 248.472 1.00 0.00 C +ATOM 36 CA GLN A 36 258.293 235.589 250.420 1.00 0.00 C +ATOM 37 CA ARG A 37 257.651 235.834 254.168 1.00 0.00 C +ATOM 38 CA ASP A 38 259.139 238.311 256.651 1.00 0.00 C +ATOM 39 CA SER A 39 259.469 242.086 256.252 1.00 0.00 C +ATOM 40 CA THR A 40 256.255 244.121 256.463 1.00 0.00 C +ATOM 41 CA GLY A 41 254.506 245.879 259.355 1.00 0.00 C +ATOM 42 CA PRO A 42 254.708 246.850 263.034 1.00 0.00 C +ATOM 43 CA GLU A 43 257.575 245.275 264.987 1.00 0.00 C +ATOM 44 CA GLU A 44 259.306 242.065 266.090 1.00 0.00 C +ATOM 45 CA SER A 45 262.343 239.966 265.147 1.00 0.00 C +ATOM 46 CA LYS A 46 264.661 239.222 268.077 1.00 0.00 C +ATOM 47 CA LYS A 47 268.078 238.888 269.730 1.00 0.00 C +ATOM 48 CA GLU A 48 270.868 240.156 271.994 1.00 0.00 C +ATOM 49 CA VAL A 49 270.672 242.886 274.644 1.00 0.00 C +ATOM 50 CA GLU A 50 269.107 246.163 273.493 1.00 0.00 C +ATOM 51 CA SER A 51 265.513 247.291 272.925 1.00 0.00 C +ATOM 52 CA LYS A 52 261.776 246.965 273.592 1.00 0.00 C +ATOM 53 CA ALA A 53 261.549 244.247 276.253 1.00 0.00 C +ATOM 54 CA GLU A 54 263.894 241.248 276.116 1.00 0.00 C +ATOM 55 CA THR A 55 261.577 238.229 275.930 1.00 0.00 C +ATOM 56 CA ASP A 56 263.416 235.537 277.902 1.00 0.00 C +ATOM 57 CA ARG A 57 262.353 232.863 280.399 1.00 0.00 C +ATOM 58 CA PHE A 58 258.618 232.397 280.990 1.00 0.00 C +ATOM 59 CA ASP A 59 254.949 231.949 280.067 1.00 0.00 C +TER 60 ASP A 59 +END diff --git a/Viruses/P89833/P89833.dcd b/Viruses/P89833/P89833.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d99d189ed26c42116f60300bc1f715755874ed7e --- /dev/null +++ b/Viruses/P89833/P89833.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:95dd7b4014579b830293424eb384881655dafdc5449789015139a8fb532192b8 +size 7880276 diff --git a/Viruses/P89833/top.pdb b/Viruses/P89833/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..77d65dffed5fc2491276758a76bb61515c2d2b3e --- /dev/null +++ b/Viruses/P89833/top.pdb @@ -0,0 +1,63 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LEU A 1 257.921 250.829 291.872 1.00 0.00 C +ATOM 2 CA GLY A 2 257.113 249.085 288.582 1.00 0.00 C +ATOM 3 CA ILE A 3 253.446 248.058 288.491 1.00 0.00 C +ATOM 4 CA SER A 4 250.803 250.751 289.021 1.00 0.00 C +ATOM 5 CA TYR A 5 249.795 254.379 289.604 1.00 0.00 C +ATOM 6 CA GLY A 6 246.817 256.723 289.214 1.00 0.00 C +ATOM 7 CA ARG A 7 246.215 259.211 286.392 1.00 0.00 C +ATOM 8 CA LYS A 8 249.066 261.494 285.305 1.00 0.00 C +ATOM 9 CA LYS A 9 252.747 260.849 286.046 1.00 0.00 C +ATOM 10 CA ARG A 10 255.127 262.617 283.654 1.00 0.00 C +ATOM 11 CA ARG A 11 255.045 264.745 280.495 1.00 0.00 C +ATOM 12 CA PRO A 12 257.059 267.881 279.706 1.00 0.00 C +ATOM 13 CA ARG A 13 256.684 268.604 275.984 1.00 0.00 C +ATOM 14 CA ARG A 14 253.508 267.576 274.148 1.00 0.00 C +ATOM 15 CA ARG A 15 251.920 264.113 274.122 1.00 0.00 C +ATOM 16 CA PRO A 16 251.976 261.276 271.579 1.00 0.00 C +ATOM 17 CA SER A 17 254.877 258.889 270.948 1.00 0.00 C +ATOM 18 CA GLN A 18 254.773 255.688 268.885 1.00 0.00 C +ATOM 19 CA ASN A 19 254.747 254.080 265.431 1.00 0.00 C +ATOM 20 CA SER A 20 255.032 254.925 261.726 1.00 0.00 C +ATOM 21 CA GLU A 21 254.378 257.887 259.420 1.00 0.00 C +ATOM 22 CA ASP A 22 255.768 259.619 256.325 1.00 0.00 C +ATOM 23 CA HIS A 23 256.622 262.707 254.263 1.00 0.00 C +ATOM 24 CA GLN A 24 256.616 265.733 251.948 1.00 0.00 C +ATOM 25 CA SER A 25 253.190 266.006 250.302 1.00 0.00 C +ATOM 26 CA PRO A 26 253.414 264.504 246.808 1.00 0.00 C +ATOM 27 CA ILE A 27 252.213 266.794 244.010 1.00 0.00 C +ATOM 28 CA PRO A 28 249.129 265.402 242.259 1.00 0.00 C +ATOM 29 CA LYS A 29 248.082 261.789 242.868 1.00 0.00 C +ATOM 30 CA GLN A 30 245.466 259.226 241.820 1.00 0.00 C +ATOM 31 CA SER A 31 246.050 255.631 240.702 1.00 0.00 C +ATOM 32 CA LEU A 32 243.349 253.799 238.736 1.00 0.00 C +ATOM 33 CA PRO A 33 240.793 251.310 237.400 1.00 0.00 C +ATOM 34 CA HIS A 34 237.033 250.728 237.192 1.00 0.00 C +ATOM 35 CA THR A 35 235.891 248.296 239.894 1.00 0.00 C +ATOM 36 CA GLN A 36 236.631 244.982 241.622 1.00 0.00 C +ATOM 37 CA ARG A 37 239.595 242.646 241.097 1.00 0.00 C +ATOM 38 CA VAL A 38 241.944 239.666 240.752 1.00 0.00 C +ATOM 39 CA SER A 39 245.128 237.931 239.581 1.00 0.00 C +ATOM 40 CA THR A 40 247.972 235.865 238.114 1.00 0.00 C +ATOM 41 CA GLY A 41 247.377 233.863 234.927 1.00 0.00 C +ATOM 42 CA PRO A 42 249.080 233.263 231.572 1.00 0.00 C +ATOM 43 CA GLU A 43 251.612 235.927 230.567 1.00 0.00 C +ATOM 44 CA GLU A 44 252.666 238.138 233.485 1.00 0.00 C +ATOM 45 CA SER A 45 251.255 241.664 233.791 1.00 0.00 C +ATOM 46 CA LYS A 46 248.433 243.402 231.913 1.00 0.00 C +ATOM 47 CA LYS A 47 245.281 242.412 230.014 1.00 0.00 C +ATOM 48 CA GLU A 48 246.041 241.082 226.526 1.00 0.00 C +ATOM 49 CA VAL A 49 246.127 238.948 223.371 1.00 0.00 C +ATOM 50 CA GLU A 50 246.238 235.924 221.056 1.00 0.00 C +ATOM 51 CA SER A 51 246.288 235.825 217.248 1.00 0.00 C +ATOM 52 CA LYS A 52 244.009 232.977 216.146 1.00 0.00 C +ATOM 53 CA ALA A 53 245.388 229.457 216.617 1.00 0.00 C +ATOM 54 CA GLU A 54 248.245 228.783 219.046 1.00 0.00 C +ATOM 55 CA THR A 55 250.591 231.758 219.451 1.00 0.00 C +ATOM 56 CA ASP A 56 253.041 233.640 217.220 1.00 0.00 C +ATOM 57 CA ARG A 57 255.093 236.220 219.130 1.00 0.00 C +ATOM 58 CA PHE A 58 257.904 237.084 221.552 1.00 0.00 C +ATOM 59 CA ASP A 59 261.395 237.336 220.047 1.00 0.00 C +TER 60 ASP A 59 +END diff --git a/Viruses/P89841/P89841.dcd b/Viruses/P89841/P89841.dcd new file mode 100644 index 0000000000000000000000000000000000000000..428d90d7194be9d12f2f2bf18d27fbf4ab06beb4 --- /dev/null +++ b/Viruses/P89841/P89841.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5f9835b95b0d00f6ed95103992a177769e69a5b7efa75f2596c0306d5acdea50 +size 9080276 diff --git a/Viruses/P89841/top.pdb b/Viruses/P89841/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8480a12acb372e2ec198eee7eefa3ebdb982b26e --- /dev/null +++ b/Viruses/P89841/top.pdb @@ -0,0 +1,73 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA PHE A 1 242.659 271.892 297.635 1.00 0.00 C +ATOM 2 CA PHE A 2 240.284 270.805 294.861 1.00 0.00 C +ATOM 3 CA ARG A 3 239.613 268.368 292.011 1.00 0.00 C +ATOM 4 CA GLU A 4 239.257 269.645 288.439 1.00 0.00 C +ATOM 5 CA ASN A 5 236.079 271.591 287.643 1.00 0.00 C +ATOM 6 CA LEU A 6 236.034 274.667 285.396 1.00 0.00 C +ATOM 7 CA ALA A 7 235.269 277.098 282.563 1.00 0.00 C +ATOM 8 CA PHE A 8 233.459 280.013 284.220 1.00 0.00 C +ATOM 9 CA PRO A 9 235.515 283.214 284.425 1.00 0.00 C +ATOM 10 CA GLN A 10 238.484 282.946 282.052 1.00 0.00 C +ATOM 11 CA GLY A 11 238.813 283.773 278.348 1.00 0.00 C +ATOM 12 CA GLU A 12 240.878 282.176 275.572 1.00 0.00 C +ATOM 13 CA ALA A 13 243.252 279.398 276.649 1.00 0.00 C +ATOM 14 CA ARG A 14 246.955 278.505 276.576 1.00 0.00 C +ATOM 15 CA GLU A 15 250.003 279.638 274.590 1.00 0.00 C +ATOM 16 CA PHE A 16 252.544 277.545 272.672 1.00 0.00 C +ATOM 17 CA PRO A 17 254.035 274.223 271.551 1.00 0.00 C +ATOM 18 CA THR A 18 252.413 271.609 269.303 1.00 0.00 C +ATOM 19 CA GLU A 19 249.867 268.782 269.101 1.00 0.00 C +ATOM 20 CA GLN A 20 246.490 268.064 267.490 1.00 0.00 C +ATOM 21 CA ALA A 21 243.820 270.435 268.819 1.00 0.00 C +ATOM 22 CA ARG A 22 240.271 269.066 268.617 1.00 0.00 C +ATOM 23 CA ALA A 23 237.588 266.416 269.160 1.00 0.00 C +ATOM 24 CA ASN A 24 239.330 263.118 268.383 1.00 0.00 C +ATOM 25 CA SER A 25 239.586 260.450 265.675 1.00 0.00 C +ATOM 26 CA PRO A 26 241.300 257.985 263.329 1.00 0.00 C +ATOM 27 CA THR A 27 244.872 257.213 264.404 1.00 0.00 C +ATOM 28 CA SER A 28 246.081 253.607 264.162 1.00 0.00 C +ATOM 29 CA ARG A 29 246.199 252.369 260.560 1.00 0.00 C +ATOM 30 CA LYS A 30 246.403 252.609 256.763 1.00 0.00 C +ATOM 31 CA LEU A 31 247.755 250.192 254.147 1.00 0.00 C +ATOM 32 CA GLN A 32 250.915 248.114 254.606 1.00 0.00 C +ATOM 33 CA VAL A 33 251.346 247.524 258.346 1.00 0.00 C +ATOM 34 CA ARG A 34 253.126 244.360 259.501 1.00 0.00 C +ATOM 35 CA GLY A 35 256.691 245.004 260.681 1.00 0.00 C +ATOM 36 CA ASP A 36 259.603 244.126 258.385 1.00 0.00 C +ATOM 37 CA ASN A 37 260.073 241.295 255.879 1.00 0.00 C +ATOM 38 CA PRO A 38 259.145 239.615 252.588 1.00 0.00 C +ATOM 39 CA ARG A 39 255.735 239.574 250.888 1.00 0.00 C +ATOM 40 CA SER A 40 253.938 236.312 251.694 1.00 0.00 C +ATOM 41 CA GLU A 41 251.840 233.486 250.235 1.00 0.00 C +ATOM 42 CA ALA A 42 253.750 231.384 247.695 1.00 0.00 C +ATOM 43 CA GLY A 43 251.888 230.198 244.590 1.00 0.00 C +ATOM 44 CA ALA A 44 249.312 228.341 242.485 1.00 0.00 C +ATOM 45 CA GLU A 45 246.250 226.079 242.332 1.00 0.00 C +ATOM 46 CA GLY A 46 247.638 222.560 242.784 1.00 0.00 C +ATOM 47 CA GLN A 47 250.888 220.601 242.435 1.00 0.00 C +ATOM 48 CA GLY A 48 254.351 219.625 241.181 1.00 0.00 C +ATOM 49 CA THR A 49 255.522 221.993 238.435 1.00 0.00 C +ATOM 50 CA LEU A 50 257.504 222.553 235.230 1.00 0.00 C +ATOM 51 CA ASN A 51 256.341 224.709 232.312 1.00 0.00 C +ATOM 52 CA PHE A 52 257.130 228.400 231.792 1.00 0.00 C +ATOM 53 CA PRO A 53 255.810 230.258 228.739 1.00 0.00 C +ATOM 54 CA GLN A 54 253.639 229.722 225.654 1.00 0.00 C +ATOM 55 CA ILE A 55 252.949 233.035 223.903 1.00 0.00 C +ATOM 56 CA THR A 56 253.463 233.803 220.207 1.00 0.00 C +ATOM 57 CA LEU A 57 251.800 236.704 218.380 1.00 0.00 C +ATOM 58 CA TRP A 58 252.906 238.513 215.215 1.00 0.00 C +ATOM 59 CA GLN A 59 252.418 238.969 211.464 1.00 0.00 C +ATOM 60 CA ARG A 60 255.339 237.985 209.224 1.00 0.00 C +ATOM 61 CA PRO A 61 258.902 238.838 208.177 1.00 0.00 C +ATOM 62 CA LEU A 62 262.502 239.683 207.261 1.00 0.00 C +ATOM 63 CA ASN A 63 264.179 236.713 205.563 1.00 0.00 C +ATOM 64 CA SER A 64 262.310 235.720 202.395 1.00 0.00 C +ATOM 65 CA ARG A 65 262.879 234.044 199.021 1.00 0.00 C +ATOM 66 CA LYS A 66 261.768 233.846 195.382 1.00 0.00 C +ATOM 67 CA PRO A 67 263.913 231.991 192.837 1.00 0.00 C +ATOM 68 CA ASN A 68 263.474 230.169 189.520 1.00 0.00 C +ATOM 69 CA SER A 69 263.654 226.742 187.865 1.00 0.00 C +TER 70 SER A 69 +END diff --git a/Viruses/P89878/P89878.dcd b/Viruses/P89878/P89878.dcd new file mode 100644 index 0000000000000000000000000000000000000000..618dc92d48fabe00519ec43fa2519bec1c30d38f --- /dev/null +++ b/Viruses/P89878/P89878.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:62796bd1000422f7b1fb7b9cca6cc36fb977cecca0e18ef693f3f38890d6e4ff +size 4400276 diff --git a/Viruses/P89878/top.pdb b/Viruses/P89878/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..42067f3d9871721a97304f88f5d419d8393e1d8f --- /dev/null +++ b/Viruses/P89878/top.pdb @@ -0,0 +1,34 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 255.400 232.625 254.810 1.00 0.00 C +ATOM 2 CA ASN A 2 255.396 232.678 258.620 1.00 0.00 C +ATOM 3 CA LYS A 3 253.377 233.001 261.835 1.00 0.00 C +ATOM 4 CA GLN A 4 254.986 235.224 264.478 1.00 0.00 C +ATOM 5 CA ASN A 5 254.891 238.969 265.173 1.00 0.00 C +ATOM 6 CA ALA A 6 251.232 240.021 265.328 1.00 0.00 C +ATOM 7 CA GLY A 7 249.282 239.483 262.100 1.00 0.00 C +ATOM 8 CA GLY A 8 246.827 241.394 259.901 1.00 0.00 C +ATOM 9 CA ASP A 9 246.868 244.746 258.089 1.00 0.00 C +ATOM 10 CA GLY A 10 245.306 247.429 255.881 1.00 0.00 C +ATOM 11 CA GLN A 11 241.936 248.888 254.865 1.00 0.00 C +ATOM 12 CA LYS A 12 238.597 248.887 253.031 1.00 0.00 C +ATOM 13 CA PRO A 13 236.461 250.177 250.151 1.00 0.00 C +ATOM 14 CA HIS A 14 235.492 252.845 247.609 1.00 0.00 C +ATOM 15 CA ALA A 15 234.477 255.279 244.860 1.00 0.00 C +ATOM 16 CA HIS A 16 236.423 257.790 242.757 1.00 0.00 C +ATOM 17 CA LEU A 17 238.463 255.983 240.096 1.00 0.00 C +ATOM 18 CA ASP A 18 242.271 256.121 240.079 1.00 0.00 C +ATOM 19 CA ALA A 19 245.477 255.284 238.199 1.00 0.00 C +ATOM 20 CA PRO A 20 249.103 256.005 239.121 1.00 0.00 C +ATOM 21 CA LYS A 21 251.917 258.354 238.082 1.00 0.00 C +ATOM 22 CA PRO A 22 253.368 261.786 238.875 1.00 0.00 C +ATOM 23 CA HIS A 23 254.720 261.990 242.431 1.00 0.00 C +ATOM 24 CA ALA A 24 258.419 261.080 242.525 1.00 0.00 C +ATOM 25 CA HIS A 25 262.027 259.858 242.614 1.00 0.00 C +ATOM 26 CA PHE A 26 262.950 256.207 242.038 1.00 0.00 C +ATOM 27 CA LEU A 27 263.347 253.970 245.096 1.00 0.00 C +ATOM 28 CA GLU A 28 260.267 254.475 247.281 1.00 0.00 C +ATOM 29 CA SER A 29 258.978 255.162 250.801 1.00 0.00 C +ATOM 30 CA ARG A 30 261.741 254.290 253.275 1.00 0.00 C +TER 31 ARG A 30 +END diff --git a/Viruses/Q00DY4/Q00DY4.dcd b/Viruses/Q00DY4/Q00DY4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..ad4499b02105056b746172934e038314b4267e3a --- /dev/null +++ b/Viruses/Q00DY4/Q00DY4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6fcd11fb6e5d8b4e6e1d777a3b097042ee83229e730f4797eb9733da1d930b07 +size 7640276 diff --git a/Viruses/Q00DY4/top.pdb b/Viruses/Q00DY4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9ab62eb53f0ab9459305075cfdda28cb47bd01a5 --- /dev/null +++ b/Viruses/Q00DY4/top.pdb @@ -0,0 +1,61 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 243.181 302.391 229.259 1.00 0.00 C +ATOM 2 CA GLY A 2 245.324 299.419 230.305 1.00 0.00 C +ATOM 3 CA GLY A 3 246.396 295.983 231.555 1.00 0.00 C +ATOM 4 CA LYS A 4 245.717 292.300 232.252 1.00 0.00 C +ATOM 5 CA TRP A 5 243.397 291.630 235.199 1.00 0.00 C +ATOM 6 CA SER A 6 241.697 288.337 236.086 1.00 0.00 C +ATOM 7 CA LYS A 7 237.943 288.835 236.507 1.00 0.00 C +ATOM 8 CA SER A 8 235.081 288.927 239.021 1.00 0.00 C +ATOM 9 CA SER A 9 236.355 289.646 242.539 1.00 0.00 C +ATOM 10 CA ILE A 10 234.215 288.717 245.551 1.00 0.00 C +ATOM 11 CA ILE A 11 235.047 286.354 248.421 1.00 0.00 C +ATOM 12 CA GLY A 12 234.910 282.627 249.203 1.00 0.00 C +ATOM 13 CA TRP A 13 236.492 279.703 247.343 1.00 0.00 C +ATOM 14 CA PRO A 14 239.201 277.046 246.996 1.00 0.00 C +ATOM 15 CA LYS A 15 240.260 274.608 249.726 1.00 0.00 C +ATOM 16 CA VAL A 16 239.406 271.104 250.953 1.00 0.00 C +ATOM 17 CA ARG A 17 240.636 270.376 254.485 1.00 0.00 C +ATOM 18 CA ASP A 18 242.966 272.967 256.027 1.00 0.00 C +ATOM 19 CA ARG A 19 246.089 274.728 254.739 1.00 0.00 C +ATOM 20 CA MET A 20 248.369 271.919 253.544 1.00 0.00 C +ATOM 21 CA ARG A 21 251.526 271.670 255.663 1.00 0.00 C +ATOM 22 CA ARG A 22 252.598 270.580 259.153 1.00 0.00 C +ATOM 23 CA ALA A 23 252.880 269.680 262.844 1.00 0.00 C +ATOM 24 CA GLU A 24 253.858 266.248 264.178 1.00 0.00 C +ATOM 25 CA PRO A 25 256.210 263.255 264.346 1.00 0.00 C +ATOM 26 CA ALA A 26 259.867 262.714 265.267 1.00 0.00 C +ATOM 27 CA ALA A 27 263.336 261.257 264.662 1.00 0.00 C +ATOM 28 CA GLU A 28 264.149 257.552 265.015 1.00 0.00 C +ATOM 29 CA GLY A 29 261.884 254.507 264.683 1.00 0.00 C +ATOM 30 CA VAL A 30 262.027 250.749 265.298 1.00 0.00 C +ATOM 31 CA GLY A 31 260.728 247.327 266.356 1.00 0.00 C +ATOM 32 CA PRO A 32 260.470 244.097 264.353 1.00 0.00 C +ATOM 33 CA ALA A 33 260.450 240.808 262.429 1.00 0.00 C +ATOM 34 CA SER A 34 257.293 238.737 262.941 1.00 0.00 C +ATOM 35 CA ARG A 35 254.062 240.749 262.783 1.00 0.00 C +ATOM 36 CA ASP A 36 250.650 239.171 262.158 1.00 0.00 C +ATOM 37 CA LEU A 37 250.379 236.189 259.802 1.00 0.00 C +ATOM 38 CA GLU A 38 251.898 232.696 259.899 1.00 0.00 C +ATOM 39 CA ARG A 39 249.316 230.158 258.715 1.00 0.00 C +ATOM 40 CA HIS A 40 248.777 227.530 256.009 1.00 0.00 C +ATOM 41 CA GLY A 41 251.184 226.878 253.128 1.00 0.00 C +ATOM 42 CA ALA A 42 253.410 224.025 251.938 1.00 0.00 C +ATOM 43 CA LEU A 43 253.407 221.432 249.147 1.00 0.00 C +ATOM 44 CA THR A 44 250.761 218.716 248.779 1.00 0.00 C +ATOM 45 CA SER A 45 250.790 214.918 249.085 1.00 0.00 C +ATOM 46 CA SER A 46 253.071 211.879 249.363 1.00 0.00 C +ATOM 47 CA ASN A 47 252.509 208.632 247.451 1.00 0.00 C +ATOM 48 CA THR A 48 252.947 205.045 248.659 1.00 0.00 C +ATOM 49 CA ALA A 49 254.053 202.583 245.970 1.00 0.00 C +ATOM 50 CA THR A 50 254.599 202.030 242.241 1.00 0.00 C +ATOM 51 CA ASN A 51 254.849 198.389 241.148 1.00 0.00 C +ATOM 52 CA ASN A 52 253.715 196.878 237.839 1.00 0.00 C +ATOM 53 CA ALA A 53 252.852 199.081 234.853 1.00 0.00 C +ATOM 54 CA ASP A 54 253.467 202.832 234.599 1.00 0.00 C +ATOM 55 CA CYS A 55 254.961 206.139 233.439 1.00 0.00 C +ATOM 56 CA ALA A 56 257.388 209.076 233.466 1.00 0.00 C +ATOM 57 CA CYS A 57 260.995 208.175 232.631 1.00 0.00 C +TER 58 CYS A 57 +END diff --git a/Viruses/Q03873/Q03873.dcd b/Viruses/Q03873/Q03873.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8d5d62e92f3bbf2ead28e12b8b4c1e61cb2d8a41 --- /dev/null +++ b/Viruses/Q03873/Q03873.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e0d3173deb3255bcef8730d78b7df2458b26c3f7a7994b17aa10a75b5b0e037b +size 9320276 diff --git a/Viruses/Q03873/top.pdb b/Viruses/Q03873/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5296c14fd5af964f1b29b69709067ecf1f6da0be --- /dev/null +++ b/Viruses/Q03873/top.pdb @@ -0,0 +1,75 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLN A 1 256.047 230.615 286.540 1.00 0.00 C +ATOM 2 CA ALA A 2 257.377 234.184 286.465 1.00 0.00 C +ATOM 3 CA PRO A 3 258.800 237.440 287.841 1.00 0.00 C +ATOM 4 CA ARG A 4 256.965 240.738 287.320 1.00 0.00 C +ATOM 5 CA PRO A 5 257.193 243.725 289.675 1.00 0.00 C +ATOM 6 CA ARG A 6 255.410 246.726 288.149 1.00 0.00 C +ATOM 7 CA ALA A 7 252.675 248.249 285.978 1.00 0.00 C +ATOM 8 CA ASP A 8 251.373 246.074 283.133 1.00 0.00 C +ATOM 9 CA PHE A 9 251.799 244.463 279.707 1.00 0.00 C +ATOM 10 CA ALA A 10 249.494 242.868 277.127 1.00 0.00 C +ATOM 11 CA PRO A 11 248.909 240.799 273.982 1.00 0.00 C +ATOM 12 CA PRO A 12 245.412 240.466 272.506 1.00 0.00 C +ATOM 13 CA SER A 13 243.233 237.341 272.500 1.00 0.00 C +ATOM 14 CA GLY A 14 240.843 236.796 269.583 1.00 0.00 C +ATOM 15 CA GLU A 15 239.855 239.339 266.924 1.00 0.00 C +ATOM 16 CA GLU A 16 241.437 242.706 267.744 1.00 0.00 C +ATOM 17 CA SER A 17 244.596 242.817 265.616 1.00 0.00 C +ATOM 18 CA SER A 18 246.070 239.307 265.470 1.00 0.00 C +ATOM 19 CA SER A 19 249.344 238.608 267.290 1.00 0.00 C +ATOM 20 CA GLU A 20 252.283 237.454 265.157 1.00 0.00 C +ATOM 21 CA GLU A 21 255.192 238.334 262.860 1.00 0.00 C +ATOM 22 CA GLU A 22 255.422 241.177 260.334 1.00 0.00 C +ATOM 23 CA GLU A 23 257.141 244.266 258.914 1.00 0.00 C +ATOM 24 CA GLU A 24 256.858 248.058 259.142 1.00 0.00 C +ATOM 25 CA GLU A 25 257.692 251.700 259.888 1.00 0.00 C +ATOM 26 CA GLY A 26 258.005 252.125 263.662 1.00 0.00 C +ATOM 27 CA PRO A 27 255.374 251.458 266.335 1.00 0.00 C +ATOM 28 CA ALA A 28 252.753 254.163 266.908 1.00 0.00 C +ATOM 29 CA GLN A 29 251.436 257.662 266.170 1.00 0.00 C +ATOM 30 CA ALA A 30 248.557 258.191 263.732 1.00 0.00 C +ATOM 31 CA PRO A 31 246.915 261.409 262.521 1.00 0.00 C +ATOM 32 CA LEU A 32 244.717 264.047 264.170 1.00 0.00 C +ATOM 33 CA ASP A 33 244.912 267.546 265.666 1.00 0.00 C +ATOM 34 CA GLU A 34 243.605 270.472 267.726 1.00 0.00 C +ATOM 35 CA GLU A 35 242.382 273.036 265.187 1.00 0.00 C +ATOM 36 CA ASP A 36 240.053 274.165 262.391 1.00 0.00 C +ATOM 37 CA GLN A 37 238.376 271.170 260.738 1.00 0.00 C +ATOM 38 CA LEU A 38 235.632 269.436 258.743 1.00 0.00 C +ATOM 39 CA MET A 39 235.259 265.645 258.812 1.00 0.00 C +ATOM 40 CA TYR A 40 232.105 264.487 257.017 1.00 0.00 C +ATOM 41 CA ALA A 41 232.786 263.405 253.428 1.00 0.00 C +ATOM 42 CA ASP A 42 235.776 261.430 252.134 1.00 0.00 C +ATOM 43 CA GLN A 43 239.229 260.925 250.604 1.00 0.00 C +ATOM 44 CA TYR A 44 241.130 263.542 248.591 1.00 0.00 C +ATOM 45 CA SER A 45 242.801 261.651 245.736 1.00 0.00 C +ATOM 46 CA VAL A 46 243.529 257.964 245.116 1.00 0.00 C +ATOM 47 CA GLY A 47 243.955 255.972 241.896 1.00 0.00 C +ATOM 48 CA ASP A 48 245.844 252.671 242.111 1.00 0.00 C +ATOM 49 CA SER A 49 249.430 253.603 241.223 1.00 0.00 C +ATOM 50 CA SER A 50 252.733 252.964 239.434 1.00 0.00 C +ATOM 51 CA ASP A 51 255.962 254.669 238.347 1.00 0.00 C +ATOM 52 CA GLU A 52 257.644 252.736 235.528 1.00 0.00 C +ATOM 53 CA ASN A 53 258.618 249.399 233.968 1.00 0.00 C +ATOM 54 CA ASP A 54 260.881 249.352 230.903 1.00 0.00 C +ATOM 55 CA GLU A 55 260.781 245.778 229.586 1.00 0.00 C +ATOM 56 CA GLU A 56 257.870 245.682 227.130 1.00 0.00 C +ATOM 57 CA GLU A 57 256.225 242.257 227.414 1.00 0.00 C +ATOM 58 CA ASP A 58 255.879 240.903 223.870 1.00 0.00 C +ATOM 59 CA PRO A 59 255.599 242.538 220.440 1.00 0.00 C +ATOM 60 CA ARG A 60 257.965 243.674 217.678 1.00 0.00 C +ATOM 61 CA LEU A 61 259.997 243.639 214.455 1.00 0.00 C +ATOM 62 CA GLY A 62 259.319 242.441 210.903 1.00 0.00 C +ATOM 63 CA SER A 63 257.077 244.807 208.930 1.00 0.00 C +ATOM 64 CA ASP A 64 255.877 242.796 205.925 1.00 0.00 C +ATOM 65 CA TYR A 65 253.601 244.786 203.606 1.00 0.00 C +ATOM 66 CA PRO A 66 255.182 247.855 201.994 1.00 0.00 C +ATOM 67 CA THR A 67 254.399 249.866 198.854 1.00 0.00 C +ATOM 68 CA SER A 68 253.747 249.315 195.141 1.00 0.00 C +ATOM 69 CA ALA A 69 250.246 248.093 194.266 1.00 0.00 C +ATOM 70 CA GLU A 70 247.706 249.425 191.759 1.00 0.00 C +ATOM 71 CA SER A 71 246.710 246.600 189.405 1.00 0.00 C +TER 72 SER A 71 +END diff --git a/Viruses/Q04247/Q04247.dcd b/Viruses/Q04247/Q04247.dcd new file mode 100644 index 0000000000000000000000000000000000000000..6bcf3a694ff83bbfd666e39a46e18ba7cd8e6a3c --- /dev/null +++ b/Viruses/Q04247/Q04247.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2d8863fbd522a7decc82f77615ae20cce6ba3293d796b4f93aa4c1468a70d4fe +size 4400276 diff --git a/Viruses/Q04247/top.pdb b/Viruses/Q04247/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9d9e5447539d27b1ecb2c98d44a369cea2c58965 --- /dev/null +++ b/Viruses/Q04247/top.pdb @@ -0,0 +1,34 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA TYR A 1 240.309 266.581 268.256 1.00 0.00 C +ATOM 2 CA LYS A 2 244.100 266.917 268.073 1.00 0.00 C +ATOM 3 CA GLY A 3 245.827 268.863 265.289 1.00 0.00 C +ATOM 4 CA THR A 4 249.311 270.376 265.583 1.00 0.00 C +ATOM 5 CA MET A 5 252.381 268.489 264.346 1.00 0.00 C +ATOM 6 CA ASP A 6 251.902 264.995 262.904 1.00 0.00 C +ATOM 7 CA SER A 7 250.801 262.991 259.856 1.00 0.00 C +ATOM 8 CA GLY A 8 249.847 259.385 259.082 1.00 0.00 C +ATOM 9 CA GLN A 9 247.594 257.236 256.886 1.00 0.00 C +ATOM 10 CA THR A 10 246.539 253.860 255.469 1.00 0.00 C +ATOM 11 CA ARG A 11 248.244 253.261 252.115 1.00 0.00 C +ATOM 12 CA ARG A 12 251.745 252.553 250.789 1.00 0.00 C +ATOM 13 CA GLU A 13 252.914 249.051 251.729 1.00 0.00 C +ATOM 14 CA LEU A 14 256.697 249.090 251.271 1.00 0.00 C +ATOM 15 CA LYS A 15 259.693 249.919 249.069 1.00 0.00 C +ATOM 16 CA SER A 16 259.825 248.672 245.471 1.00 0.00 C +ATOM 17 CA PHE A 17 258.838 251.005 242.625 1.00 0.00 C +ATOM 18 CA ASP A 18 255.382 250.953 241.020 1.00 0.00 C +ATOM 19 CA ILE A 19 252.869 249.463 243.465 1.00 0.00 C +ATOM 20 CA SER A 20 250.052 249.069 246.000 1.00 0.00 C +ATOM 21 CA GLN A 21 248.814 245.484 245.642 1.00 0.00 C +ATOM 22 CA CYS A 22 246.085 245.326 242.988 1.00 0.00 C +ATOM 23 CA PRO A 23 245.447 244.908 239.255 1.00 0.00 C +ATOM 24 CA LYS A 24 244.758 241.480 237.742 1.00 0.00 C +ATOM 25 CA ILE A 25 245.586 237.787 237.298 1.00 0.00 C +ATOM 26 CA GLY A 26 247.266 234.376 237.066 1.00 0.00 C +ATOM 27 CA GLY A 27 249.287 231.168 237.444 1.00 0.00 C +ATOM 28 CA HIS A 28 250.060 227.471 237.943 1.00 0.00 C +ATOM 29 CA GLY A 29 249.452 225.935 241.377 1.00 0.00 C +ATOM 30 CA SER A 30 248.376 223.336 243.947 1.00 0.00 C +TER 31 SER A 30 +END diff --git a/Viruses/Q04259/Q04259.dcd b/Viruses/Q04259/Q04259.dcd new file mode 100644 index 0000000000000000000000000000000000000000..4e04b5f8931267250b7bff6bbf474b92b636ddb9 --- /dev/null +++ b/Viruses/Q04259/Q04259.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f517f81c9f7e138168ff98257061850f8f34015c263d7141a0b9ec93fcce4b12 +size 5480276 diff --git a/Viruses/Q04259/top.pdb b/Viruses/Q04259/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..18f20ef08668e3e2f054833b6fea39f0fe7aa817 --- /dev/null +++ b/Viruses/Q04259/top.pdb @@ -0,0 +1,43 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLN A 1 240.722 266.036 223.580 1.00 0.00 C +ATOM 2 CA ARG A 2 240.614 269.831 223.897 1.00 0.00 C +ATOM 3 CA ARG A 3 242.377 271.210 226.980 1.00 0.00 C +ATOM 4 CA ARG A 4 243.692 271.027 230.551 1.00 0.00 C +ATOM 5 CA PHE A 5 243.544 267.368 231.604 1.00 0.00 C +ATOM 6 CA GLY A 6 240.705 265.001 232.528 1.00 0.00 C +ATOM 7 CA ARG A 7 240.002 261.298 231.970 1.00 0.00 C +ATOM 8 CA ASN A 8 242.800 258.768 232.499 1.00 0.00 C +ATOM 9 CA ALA A 9 245.982 258.309 234.544 1.00 0.00 C +ATOM 10 CA LEU A 10 249.232 258.252 236.532 1.00 0.00 C +ATOM 11 CA ASP A 11 249.181 255.411 239.070 1.00 0.00 C +ATOM 12 CA GLY A 12 249.940 255.081 242.789 1.00 0.00 C +ATOM 13 CA ASN A 13 251.510 257.503 245.276 1.00 0.00 C +ATOM 14 CA GLY A 14 249.099 257.517 248.226 1.00 0.00 C +ATOM 15 CA ASP A 15 247.077 258.202 251.382 1.00 0.00 C +ATOM 16 CA PRO A 16 247.861 255.343 253.774 1.00 0.00 C +ATOM 17 CA ASN A 17 248.142 251.874 252.224 1.00 0.00 C +ATOM 18 CA ASN A 18 245.026 249.725 252.656 1.00 0.00 C +ATOM 19 CA MET A 19 245.067 246.990 255.309 1.00 0.00 C +ATOM 20 CA HIS A 20 247.325 243.923 255.201 1.00 0.00 C +ATOM 21 CA ARG A 21 250.943 243.632 256.359 1.00 0.00 C +ATOM 22 CA PRO A 22 251.941 246.623 258.498 1.00 0.00 C +ATOM 23 CA VAL A 23 252.863 245.131 261.881 1.00 0.00 C +ATOM 24 CA LYS A 24 252.461 245.943 265.582 1.00 0.00 C +ATOM 25 CA GLN A 25 255.264 244.730 267.860 1.00 0.00 C +ATOM 26 CA ASN A 26 255.431 240.955 267.368 1.00 0.00 C +ATOM 27 CA ARG A 27 253.219 237.984 268.260 1.00 0.00 C +ATOM 28 CA LYS A 28 253.147 234.410 266.940 1.00 0.00 C +ATOM 29 CA LEU A 29 253.487 230.619 267.100 1.00 0.00 C +ATOM 30 CA LYS A 30 256.789 228.928 266.231 1.00 0.00 C +ATOM 31 CA ARG A 31 258.200 231.057 263.404 1.00 0.00 C +ATOM 32 CA GLU A 32 255.939 233.189 261.200 1.00 0.00 C +ATOM 33 CA ILE A 33 256.203 236.079 258.732 1.00 0.00 C +ATOM 34 CA THR A 34 255.039 239.701 258.516 1.00 0.00 C +ATOM 35 CA PHE A 35 256.881 241.623 255.790 1.00 0.00 C +ATOM 36 CA HIS A 36 257.514 244.944 254.033 1.00 0.00 C +ATOM 37 CA GLY A 37 255.260 245.303 250.982 1.00 0.00 C +ATOM 38 CA ALA A 38 253.659 248.687 250.277 1.00 0.00 C +ATOM 39 CA LYS A 39 255.864 251.792 250.397 1.00 0.00 C +TER 40 LYS A 39 +END diff --git a/Viruses/Q04397/Q04397.dcd b/Viruses/Q04397/Q04397.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a068694d0099f314cb7d6cb279fb9241c29d5e6b --- /dev/null +++ b/Viruses/Q04397/Q04397.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:48b870d7a73158ff3244cbc47cd3ded6e0754d9df04e5eb223c1d7b599c34954 +size 93520276 diff --git a/Viruses/Q04397/top.pdb b/Viruses/Q04397/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4613934d460a23f5a2ef69c2cb51e02e41a8d758 --- /dev/null +++ b/Viruses/Q04397/top.pdb @@ -0,0 +1,387 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 960.000 960.000 960.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA VAL A 1 458.027 396.002 470.500 1.00 0.00 C +ATOM 2 CA TRP A 2 461.438 394.599 471.454 1.00 0.00 C +ATOM 3 CA GLU A 3 464.232 396.753 470.015 1.00 0.00 C +ATOM 4 CA ALA A 4 465.793 399.050 472.623 1.00 0.00 C +ATOM 5 CA GLU A 5 466.006 402.812 472.062 1.00 0.00 C +ATOM 6 CA GLY A 6 468.795 405.286 471.273 1.00 0.00 C +ATOM 7 CA ARG A 7 472.295 406.456 472.217 1.00 0.00 C +ATOM 8 CA PRO A 8 472.259 409.914 473.816 1.00 0.00 C +ATOM 9 CA ARG A 9 472.747 413.627 473.115 1.00 0.00 C +ATOM 10 CA PRO A 10 475.601 415.470 471.392 1.00 0.00 C +ATOM 11 CA GLY A 11 479.342 414.805 471.115 1.00 0.00 C +ATOM 12 CA GLU A 12 481.486 417.934 470.754 1.00 0.00 C +ATOM 13 CA VAL A 13 481.781 419.864 474.025 1.00 0.00 C +ATOM 14 CA GLU A 14 483.612 423.149 473.415 1.00 0.00 C +ATOM 15 CA GLY A 15 482.933 426.738 474.498 1.00 0.00 C +ATOM 16 CA ASP A 16 483.963 426.856 478.164 1.00 0.00 C +ATOM 17 CA ARG A 17 483.435 429.797 480.529 1.00 0.00 C +ATOM 18 CA PRO A 18 483.001 433.527 479.886 1.00 0.00 C +ATOM 19 CA GLY A 19 479.598 434.791 478.729 1.00 0.00 C +ATOM 20 CA LEU A 20 476.960 436.974 480.399 1.00 0.00 C +ATOM 21 CA CYS A 21 474.600 436.746 483.381 1.00 0.00 C +ATOM 22 CA TRP A 22 475.446 438.136 486.826 1.00 0.00 C +ATOM 23 CA GLN A 23 476.286 435.158 489.049 1.00 0.00 C +ATOM 24 CA SER A 24 475.969 431.441 489.824 1.00 0.00 C +ATOM 25 CA PRO A 25 474.926 427.803 489.384 1.00 0.00 C +ATOM 26 CA GLY A 26 473.660 424.747 491.274 1.00 0.00 C +ATOM 27 CA ASP A 27 472.583 422.445 494.112 1.00 0.00 C +ATOM 28 CA PRO A 28 475.401 420.569 495.860 1.00 0.00 C +ATOM 29 CA LEU A 29 475.575 416.774 495.568 1.00 0.00 C +ATOM 30 CA ARG A 30 479.237 415.852 495.064 1.00 0.00 C +ATOM 31 CA PRO A 31 481.290 418.924 495.994 1.00 0.00 C +ATOM 32 CA SER A 32 483.401 420.275 493.125 1.00 0.00 C +ATOM 33 CA GLY A 33 485.285 418.052 490.670 1.00 0.00 C +ATOM 34 CA PRO A 34 488.445 419.112 488.824 1.00 0.00 C +ATOM 35 CA GLY A 35 491.457 421.098 490.046 1.00 0.00 C +ATOM 36 CA ARG A 36 494.591 419.082 489.251 1.00 0.00 C +ATOM 37 CA SER A 37 494.996 415.568 487.834 1.00 0.00 C +ATOM 38 CA PRO A 38 498.042 413.343 487.295 1.00 0.00 C +ATOM 39 CA SER A 39 500.667 412.590 489.952 1.00 0.00 C +ATOM 40 CA ALA A 40 503.146 411.689 492.701 1.00 0.00 C +ATOM 41 CA PRO A 41 502.616 410.608 496.315 1.00 0.00 C +ATOM 42 CA GLN A 42 503.293 411.325 499.995 1.00 0.00 C +ATOM 43 CA THR A 43 507.015 410.984 500.735 1.00 0.00 C +ATOM 44 CA ASP A 44 508.805 414.320 500.315 1.00 0.00 C +ATOM 45 CA PRO A 45 511.938 416.319 501.156 1.00 0.00 C +ATOM 46 CA ARG A 46 515.513 415.017 501.359 1.00 0.00 C +ATOM 47 CA VAL A 47 518.293 416.558 499.259 1.00 0.00 C +ATOM 48 CA SER A 48 519.527 418.240 496.070 1.00 0.00 C +ATOM 49 CA ARG A 49 519.731 417.465 492.346 1.00 0.00 C +ATOM 50 CA GLN A 50 519.744 420.659 490.269 1.00 0.00 C +ATOM 51 CA GLY A 51 517.686 422.931 488.007 1.00 0.00 C +ATOM 52 CA PRO A 52 516.282 424.715 484.947 1.00 0.00 C +ATOM 53 CA ALA A 53 515.944 426.033 481.388 1.00 0.00 C +ATOM 54 CA SER A 54 518.858 424.947 479.187 1.00 0.00 C +ATOM 55 CA SER A 55 518.198 421.249 478.550 1.00 0.00 C +ATOM 56 CA GLY A 56 519.436 418.944 481.320 1.00 0.00 C +ATOM 57 CA ALA A 57 517.952 415.452 481.669 1.00 0.00 C +ATOM 58 CA ALA A 58 515.359 412.865 480.619 1.00 0.00 C +ATOM 59 CA GLY A 59 512.563 412.474 478.061 1.00 0.00 C +ATOM 60 CA SER A 60 512.200 413.569 474.430 1.00 0.00 C +ATOM 61 CA PRO A 61 513.650 414.896 471.166 1.00 0.00 C +ATOM 62 CA PRO A 62 516.804 417.035 471.174 1.00 0.00 C +ATOM 63 CA GLN A 63 518.865 420.222 471.502 1.00 0.00 C +ATOM 64 CA ALA A 64 522.548 419.274 471.735 1.00 0.00 C +ATOM 65 CA PRO A 65 524.119 416.597 473.944 1.00 0.00 C +ATOM 66 CA GLN A 66 527.160 416.594 476.239 1.00 0.00 C +ATOM 67 CA THR A 67 530.697 416.269 474.861 1.00 0.00 C +ATOM 68 CA ARG A 68 534.263 417.004 473.739 1.00 0.00 C +ATOM 69 CA VAL A 69 536.901 415.328 471.559 1.00 0.00 C +ATOM 70 CA SER A 70 535.139 412.249 470.170 1.00 0.00 C +ATOM 71 CA ALA A 71 532.016 413.213 468.211 1.00 0.00 C +ATOM 72 CA SER A 72 531.059 413.817 464.573 1.00 0.00 C +ATOM 73 CA ARG A 73 529.651 415.956 461.752 1.00 0.00 C +ATOM 74 CA ALA A 74 532.249 417.780 459.645 1.00 0.00 C +ATOM 75 CA ASP A 75 533.819 418.226 456.202 1.00 0.00 C +ATOM 76 CA ARG A 76 537.428 419.440 456.338 1.00 0.00 C +ATOM 77 CA PRO A 77 540.302 421.781 457.218 1.00 0.00 C +ATOM 78 CA ARG A 78 538.916 424.574 459.407 1.00 0.00 C +ATOM 79 CA ALA A 79 539.472 428.281 460.092 1.00 0.00 C +ATOM 80 CA TRP A 80 540.202 431.889 461.072 1.00 0.00 C +ATOM 81 CA ARG A 81 537.134 433.457 462.697 1.00 0.00 C +ATOM 82 CA LEU A 82 534.325 435.678 464.000 1.00 0.00 C +ATOM 83 CA LEU A 83 533.467 439.147 465.320 1.00 0.00 C +ATOM 84 CA GLY A 84 533.200 442.633 466.834 1.00 0.00 C +ATOM 85 CA ALA A 85 532.767 446.400 466.465 1.00 0.00 C +ATOM 86 CA SER A 86 533.226 450.178 466.638 1.00 0.00 C +ATOM 87 CA ARG A 87 536.732 450.887 467.950 1.00 0.00 C +ATOM 88 CA ARG A 88 539.334 448.885 466.017 1.00 0.00 C +ATOM 89 CA GLY A 89 542.312 448.651 463.652 1.00 0.00 C +ATOM 90 CA TRP A 90 542.121 451.536 461.172 1.00 0.00 C +ATOM 91 CA PHE A 91 540.544 450.493 457.864 1.00 0.00 C +ATOM 92 CA CYS A 92 540.872 448.195 454.843 1.00 0.00 C +ATOM 93 CA PRO A 93 540.827 447.110 451.191 1.00 0.00 C +ATOM 94 CA SER A 94 539.254 443.647 450.973 1.00 0.00 C +ATOM 95 CA LEU A 95 538.946 439.948 451.836 1.00 0.00 C +ATOM 96 CA CYS A 96 536.052 437.643 450.927 1.00 0.00 C +ATOM 97 CA PRO A 97 534.258 434.949 452.938 1.00 0.00 C +ATOM 98 CA SER A 98 534.149 435.149 456.741 1.00 0.00 C +ATOM 99 CA GLU A 99 530.965 435.998 458.653 1.00 0.00 C +ATOM 100 CA GLU A 100 528.091 438.252 457.569 1.00 0.00 C +ATOM 101 CA PRO A 101 529.170 441.648 456.219 1.00 0.00 C +ATOM 102 CA GLY A 102 529.637 441.961 452.451 1.00 0.00 C +ATOM 103 CA THR A 103 532.670 443.023 450.404 1.00 0.00 C +ATOM 104 CA SER A 104 532.172 446.533 449.009 1.00 0.00 C +ATOM 105 CA GLY A 105 529.374 448.954 449.920 1.00 0.00 C +ATOM 106 CA THR A 106 526.332 447.970 451.991 1.00 0.00 C +ATOM 107 CA PRO A 107 523.206 448.802 449.978 1.00 0.00 C +ATOM 108 CA GLU A 108 523.670 450.524 446.611 1.00 0.00 C +ATOM 109 CA PRO A 109 525.509 450.533 443.275 1.00 0.00 C +ATOM 110 CA LEU A 110 525.242 449.117 439.748 1.00 0.00 C +ATOM 111 CA GLY A 111 526.029 451.790 437.149 1.00 0.00 C +ATOM 112 CA PRO A 112 529.009 453.700 438.560 1.00 0.00 C +ATOM 113 CA ALA A 113 529.980 456.272 441.198 1.00 0.00 C +ATOM 114 CA SER A 114 528.685 459.832 440.791 1.00 0.00 C +ATOM 115 CA ARG A 115 525.400 460.054 442.709 1.00 0.00 C +ATOM 116 CA ARG A 116 522.732 457.569 443.815 1.00 0.00 C +ATOM 117 CA PRO A 117 519.683 455.286 443.751 1.00 0.00 C +ATOM 118 CA PRO A 118 517.022 452.746 444.744 1.00 0.00 C +ATOM 119 CA GLY A 119 516.339 449.439 442.979 1.00 0.00 C +ATOM 120 CA LEU A 120 517.700 446.026 443.987 1.00 0.00 C +ATOM 121 CA ARG A 121 521.142 444.870 445.142 1.00 0.00 C +ATOM 122 CA SER A 122 521.995 441.778 447.197 1.00 0.00 C +ATOM 123 CA PRO A 123 520.490 438.875 449.154 1.00 0.00 C +ATOM 124 CA LEU A 124 519.646 438.818 452.868 1.00 0.00 C +ATOM 125 CA SER A 125 518.570 439.708 456.413 1.00 0.00 C +ATOM 126 CA PRO A 126 520.241 442.685 458.105 1.00 0.00 C +ATOM 127 CA VAL A 127 519.051 443.656 461.591 1.00 0.00 C +ATOM 128 CA LYS A 128 521.349 445.969 463.563 1.00 0.00 C +ATOM 129 CA PRO A 129 524.282 447.972 464.942 1.00 0.00 C +ATOM 130 CA LYS A 130 524.273 451.723 464.278 1.00 0.00 C +ATOM 131 CA GLU A 131 522.313 454.985 464.096 1.00 0.00 C +ATOM 132 CA CYS A 132 519.786 457.374 462.538 1.00 0.00 C +ATOM 133 CA LEU A 133 517.444 460.370 462.318 1.00 0.00 C +ATOM 134 CA ARG A 134 515.823 461.293 458.996 1.00 0.00 C +ATOM 135 CA GLY A 135 515.042 461.786 455.300 1.00 0.00 C +ATOM 136 CA ALA A 136 517.533 461.480 452.433 1.00 0.00 C +ATOM 137 CA THR A 137 520.073 462.122 449.667 1.00 0.00 C +ATOM 138 CA LEU A 138 523.682 462.258 448.456 1.00 0.00 C +ATOM 139 CA GLY A 139 527.062 462.819 450.124 1.00 0.00 C +ATOM 140 CA ALA A 140 529.889 463.225 452.645 1.00 0.00 C +ATOM 141 CA GLN A 141 533.309 463.349 450.970 1.00 0.00 C +ATOM 142 CA ALA A 142 536.134 463.331 453.527 1.00 0.00 C +ATOM 143 CA PRO A 143 537.641 465.823 455.984 1.00 0.00 C +ATOM 144 CA GLU A 144 538.863 468.977 457.736 1.00 0.00 C +ATOM 145 CA SER A 145 539.172 470.582 461.178 1.00 0.00 C +ATOM 146 CA ARG A 146 539.321 472.118 464.661 1.00 0.00 C +ATOM 147 CA GLY A 147 537.691 474.440 467.205 1.00 0.00 C +ATOM 148 CA GLN A 148 533.960 473.678 467.313 1.00 0.00 C +ATOM 149 CA GLY A 149 532.007 476.918 467.767 1.00 0.00 C +ATOM 150 CA HIS A 150 528.890 478.693 469.051 1.00 0.00 C +ATOM 151 CA LEU A 151 528.233 478.228 472.775 1.00 0.00 C +ATOM 152 CA ARG A 152 526.938 481.449 474.345 1.00 0.00 C +ATOM 153 CA VAL A 153 524.226 484.058 473.754 1.00 0.00 C +ATOM 154 CA PRO A 154 524.570 485.582 470.279 1.00 0.00 C +ATOM 155 CA PRO A 155 522.457 483.736 467.702 1.00 0.00 C +ATOM 156 CA ARG A 156 523.926 480.901 465.623 1.00 0.00 C +ATOM 157 CA VAL A 157 524.424 479.297 462.203 1.00 0.00 C +ATOM 158 CA PRO A 158 523.322 480.499 458.760 1.00 0.00 C +ATOM 159 CA GLY A 159 520.140 480.679 456.673 1.00 0.00 C +ATOM 160 CA GLN A 160 518.723 484.047 455.594 1.00 0.00 C +ATOM 161 CA PRO A 161 516.878 484.090 452.261 1.00 0.00 C +ATOM 162 CA GLU A 162 514.290 485.664 449.949 1.00 0.00 C +ATOM 163 CA GLY A 163 512.282 487.215 447.107 1.00 0.00 C +ATOM 164 CA PRO A 164 509.438 486.875 444.595 1.00 0.00 C +ATOM 165 CA ARG A 165 508.217 483.290 444.177 1.00 0.00 C +ATOM 166 CA GLN A 166 509.952 480.382 442.430 1.00 0.00 C +ATOM 167 CA PRO A 167 509.302 476.649 442.039 1.00 0.00 C +ATOM 168 CA GLY A 168 506.349 475.261 440.072 1.00 0.00 C +ATOM 169 CA ARG A 169 502.736 475.088 441.269 1.00 0.00 C +ATOM 170 CA PRO A 170 499.401 475.635 439.509 1.00 0.00 C +ATOM 171 CA GLN A 171 496.620 473.717 437.748 1.00 0.00 C +ATOM 172 CA ARG A 172 496.655 470.643 435.498 1.00 0.00 C +ATOM 173 CA PRO A 173 493.952 468.170 434.453 1.00 0.00 C +ATOM 174 CA VAL A 174 492.389 464.839 435.443 1.00 0.00 C +ATOM 175 CA PRO A 175 488.999 465.800 436.892 1.00 0.00 C +ATOM 176 CA ARG A 176 489.605 468.637 439.361 1.00 0.00 C +ATOM 177 CA PRO A 177 491.555 470.729 441.878 1.00 0.00 C +ATOM 178 CA PHE A 178 489.940 470.337 445.307 1.00 0.00 C +ATOM 179 CA PRO A 179 488.289 471.330 448.594 1.00 0.00 C +ATOM 180 CA GLY A 180 485.013 471.448 450.535 1.00 0.00 C +ATOM 181 CA LEU A 181 483.906 469.423 453.567 1.00 0.00 C +ATOM 182 CA GLN A 182 484.065 469.619 457.368 1.00 0.00 C +ATOM 183 CA SER A 183 486.713 472.259 458.099 1.00 0.00 C +ATOM 184 CA PRO A 184 489.786 471.484 460.215 1.00 0.00 C +ATOM 185 CA GLY A 185 492.404 471.200 462.968 1.00 0.00 C +ATOM 186 CA CYS A 186 494.548 468.070 462.619 1.00 0.00 C +ATOM 187 CA PRO A 187 497.546 466.215 464.064 1.00 0.00 C +ATOM 188 CA PRO A 188 499.340 468.027 466.895 1.00 0.00 C +ATOM 189 CA GLU A 189 498.221 468.609 470.490 1.00 0.00 C +ATOM 190 CA GLY A 190 495.279 471.027 470.355 1.00 0.00 C +ATOM 191 CA THR A 191 495.134 472.931 473.652 1.00 0.00 C +ATOM 192 CA LEU A 192 493.753 470.482 476.223 1.00 0.00 C +ATOM 193 CA GLY A 193 491.073 468.131 474.879 1.00 0.00 C +ATOM 194 CA VAL A 194 487.300 467.666 474.626 1.00 0.00 C +ATOM 195 CA PRO A 195 484.651 465.115 475.621 1.00 0.00 C +ATOM 196 CA SER A 196 481.009 466.191 475.317 1.00 0.00 C +ATOM 197 CA PRO A 197 480.129 467.743 471.951 1.00 0.00 C +ATOM 198 CA PRO A 198 477.928 466.246 469.225 1.00 0.00 C +ATOM 199 CA LEU A 199 474.160 466.379 469.777 1.00 0.00 C +ATOM 200 CA GLN A 200 472.241 469.467 470.915 1.00 0.00 C +ATOM 201 CA ALA A 201 469.672 472.251 470.507 1.00 0.00 C +ATOM 202 CA ARG A 202 466.002 473.256 470.310 1.00 0.00 C +ATOM 203 CA ALA A 203 464.680 476.587 469.016 1.00 0.00 C +ATOM 204 CA SER A 204 462.139 479.301 468.185 1.00 0.00 C +ATOM 205 CA PRO A 205 460.336 482.633 467.781 1.00 0.00 C +ATOM 206 CA SER A 206 461.213 485.106 465.019 1.00 0.00 C +ATOM 207 CA ARG A 207 458.588 486.180 462.475 1.00 0.00 C +ATOM 208 CA ARG A 208 458.946 484.612 459.021 1.00 0.00 C +ATOM 209 CA GLY A 209 456.379 483.247 456.559 1.00 0.00 C +ATOM 210 CA ALA A 210 452.956 482.529 458.072 1.00 0.00 C +ATOM 211 CA SER A 211 452.663 484.116 461.523 1.00 0.00 C +ATOM 212 CA LEU A 212 449.589 485.892 462.905 1.00 0.00 C +ATOM 213 CA GLY A 213 446.806 488.030 464.388 1.00 0.00 C +ATOM 214 CA PRO A 214 443.712 486.213 465.668 1.00 0.00 C +ATOM 215 CA GLN A 215 442.247 483.606 463.307 1.00 0.00 C +ATOM 216 CA VAL A 216 438.844 482.121 462.453 1.00 0.00 C +ATOM 217 CA GLN A 217 438.659 481.383 458.719 1.00 0.00 C +ATOM 218 CA PRO A 218 439.036 481.081 454.940 1.00 0.00 C +ATOM 219 CA HIS A 219 441.592 478.883 453.165 1.00 0.00 C +ATOM 220 CA ARG A 220 444.775 478.695 451.080 1.00 0.00 C +ATOM 221 CA ASP A 221 447.184 480.947 449.170 1.00 0.00 C +ATOM 222 CA PRO A 222 449.417 483.946 449.900 1.00 0.00 C +ATOM 223 CA SER A 223 451.131 485.710 446.990 1.00 0.00 C +ATOM 224 CA GLY A 224 450.433 489.436 446.609 1.00 0.00 C +ATOM 225 CA PRO A 225 452.537 492.185 445.019 1.00 0.00 C +ATOM 226 CA ASP A 226 451.053 493.052 441.618 1.00 0.00 C +ATOM 227 CA PRO A 227 451.453 495.196 438.494 1.00 0.00 C +ATOM 228 CA PRO A 228 449.255 493.968 435.635 1.00 0.00 C +ATOM 229 CA THR A 229 446.330 495.358 433.628 1.00 0.00 C +ATOM 230 CA GLY A 230 445.168 498.677 432.162 1.00 0.00 C +ATOM 231 CA PRO A 231 447.009 501.745 430.851 1.00 0.00 C +ATOM 232 CA SER A 232 445.593 505.176 429.991 1.00 0.00 C +ATOM 233 CA LEU A 233 442.823 506.767 432.067 1.00 0.00 C +ATOM 234 CA CYS A 234 440.408 508.648 434.336 1.00 0.00 C +ATOM 235 CA PRO A 235 440.217 509.041 438.120 1.00 0.00 C +ATOM 236 CA PRO A 236 442.345 511.455 440.161 1.00 0.00 C +ATOM 237 CA ALA A 237 444.980 513.771 441.646 1.00 0.00 C +ATOM 238 CA PRO A 238 445.587 516.706 443.998 1.00 0.00 C +ATOM 239 CA LEU A 239 449.240 517.759 443.745 1.00 0.00 C +ATOM 240 CA GLN A 240 450.753 516.943 447.145 1.00 0.00 C +ATOM 241 CA PRO A 241 453.676 518.823 448.706 1.00 0.00 C +ATOM 242 CA SER A 242 456.899 516.791 448.638 1.00 0.00 C +ATOM 243 CA LEU A 243 459.354 513.878 448.620 1.00 0.00 C +ATOM 244 CA HIS A 244 461.235 510.613 448.054 1.00 0.00 C +ATOM 245 CA PRO A 245 459.706 507.550 449.726 1.00 0.00 C +ATOM 246 CA ARG A 246 459.187 504.942 452.455 1.00 0.00 C +ATOM 247 CA PRO A 247 455.926 505.945 454.150 1.00 0.00 C +ATOM 248 CA GLN A 248 455.345 503.480 456.997 1.00 0.00 C +ATOM 249 CA LEU A 249 454.756 501.666 460.295 1.00 0.00 C +ATOM 250 CA LEU A 250 450.975 501.401 460.684 1.00 0.00 C +ATOM 251 CA ALA A 251 449.211 498.455 462.336 1.00 0.00 C +ATOM 252 CA SER A 252 448.287 495.500 460.116 1.00 0.00 C +ATOM 253 CA PRO A 253 445.373 494.314 457.967 1.00 0.00 C +ATOM 254 CA GLY A 254 443.033 497.231 457.233 1.00 0.00 C +ATOM 255 CA PRO A 255 443.682 500.022 459.745 1.00 0.00 C +ATOM 256 CA PRO A 256 442.860 499.225 463.379 1.00 0.00 C +ATOM 257 CA GLY A 257 443.988 502.096 465.615 1.00 0.00 C +ATOM 258 CA GLN A 258 446.808 504.650 465.805 1.00 0.00 C +ATOM 259 CA PRO A 259 449.630 507.095 466.566 1.00 0.00 C +ATOM 260 CA GLU A 260 452.609 506.183 468.759 1.00 0.00 C +ATOM 261 CA GLY A 261 452.188 503.226 471.125 1.00 0.00 C +ATOM 262 CA PRO A 262 450.560 500.470 473.191 1.00 0.00 C +ATOM 263 CA ARG A 263 453.034 497.746 474.178 1.00 0.00 C +ATOM 264 CA GLN A 264 453.712 496.974 477.847 1.00 0.00 C +ATOM 265 CA PRO A 265 453.746 499.494 480.704 1.00 0.00 C +ATOM 266 CA GLY A 266 456.541 501.069 482.760 1.00 0.00 C +ATOM 267 CA ARG A 267 457.355 501.915 486.384 1.00 0.00 C +ATOM 268 CA VAL A 268 460.930 502.387 487.614 1.00 0.00 C +ATOM 269 CA ALA A 269 464.554 503.536 487.365 1.00 0.00 C +ATOM 270 CA PHE A 270 467.853 502.887 489.158 1.00 0.00 C +ATOM 271 CA PRO A 271 470.776 504.437 491.048 1.00 0.00 C +ATOM 272 CA LEU A 272 472.675 505.957 493.980 1.00 0.00 C +ATOM 273 CA PRO A 273 470.273 507.185 496.670 1.00 0.00 C +ATOM 274 CA TRP A 274 471.400 510.750 497.408 1.00 0.00 C +ATOM 275 CA PRO A 275 474.495 512.542 496.096 1.00 0.00 C +ATOM 276 CA LEU A 276 474.709 515.433 493.624 1.00 0.00 C +ATOM 277 CA LEU A 277 472.793 516.163 490.412 1.00 0.00 C +ATOM 278 CA PRO A 278 470.343 518.510 488.678 1.00 0.00 C +ATOM 279 CA ALA A 279 470.543 521.794 486.757 1.00 0.00 C +ATOM 280 CA SER A 280 469.315 525.229 487.855 1.00 0.00 C +ATOM 281 CA HIS A 281 467.478 525.003 491.186 1.00 0.00 C +ATOM 282 CA PRO A 282 468.510 525.024 494.853 1.00 0.00 C +ATOM 283 CA SER A 283 470.170 526.644 497.876 1.00 0.00 C +ATOM 284 CA PRO A 284 473.028 527.539 500.233 1.00 0.00 C +ATOM 285 CA LEU A 285 476.494 529.119 500.251 1.00 0.00 C +ATOM 286 CA SER A 286 478.745 531.380 502.335 1.00 0.00 C +ATOM 287 CA LEU A 287 477.960 531.623 506.055 1.00 0.00 C +ATOM 288 CA PRO A 288 479.936 529.539 508.559 1.00 0.00 C +ATOM 289 CA PRO A 289 478.904 525.873 508.643 1.00 0.00 C +ATOM 290 CA HIS A 290 479.416 522.117 508.261 1.00 0.00 C +ATOM 291 CA ARG A 291 482.950 520.933 509.051 1.00 0.00 C +ATOM 292 CA VAL A 292 486.050 523.015 509.809 1.00 0.00 C +ATOM 293 CA HIS A 293 489.851 523.262 509.868 1.00 0.00 C +ATOM 294 CA GLN A 294 491.325 526.494 511.244 1.00 0.00 C +ATOM 295 CA ALA A 295 493.992 526.511 513.965 1.00 0.00 C +ATOM 296 CA GLY A 296 493.952 528.898 516.934 1.00 0.00 C +ATOM 297 CA ARG A 297 490.548 528.963 518.646 1.00 0.00 C +ATOM 298 CA ARG A 298 487.779 526.819 520.146 1.00 0.00 C +ATOM 299 CA ASP A 299 485.006 524.736 518.570 1.00 0.00 C +ATOM 300 CA PRO A 300 481.265 525.453 518.652 1.00 0.00 C +ATOM 301 CA GLY A 301 479.281 528.472 517.444 1.00 0.00 C +ATOM 302 CA GLY A 302 476.190 528.571 519.669 1.00 0.00 C +ATOM 303 CA PRO A 303 473.924 525.998 521.331 1.00 0.00 C +ATOM 304 CA VAL A 304 470.297 525.742 520.193 1.00 0.00 C +ATOM 305 CA SER A 305 469.804 527.490 516.844 1.00 0.00 C +ATOM 306 CA VAL A 306 469.640 529.819 513.833 1.00 0.00 C +ATOM 307 CA PRO A 307 467.841 530.079 510.485 1.00 0.00 C +ATOM 308 CA PRO A 308 466.587 527.688 507.796 1.00 0.00 C +ATOM 309 CA ALA A 309 463.114 526.260 508.436 1.00 0.00 C +ATOM 310 CA ALA A 310 460.263 523.953 509.468 1.00 0.00 C +ATOM 311 CA ALA A 311 458.206 525.095 512.465 1.00 0.00 C +ATOM 312 CA GLN A 312 454.519 524.139 512.341 1.00 0.00 C +ATOM 313 CA SER A 313 451.156 524.016 514.127 1.00 0.00 C +ATOM 314 CA LEU A 314 447.566 525.013 513.331 1.00 0.00 C +ATOM 315 CA PRO A 315 443.831 524.291 513.124 1.00 0.00 C +ATOM 316 CA PRO A 316 442.626 526.244 510.081 1.00 0.00 C +ATOM 317 CA GLY A 317 439.674 528.302 508.830 1.00 0.00 C +ATOM 318 CA LYS A 318 436.962 527.509 506.274 1.00 0.00 C +ATOM 319 CA GLY A 319 436.829 528.267 502.542 1.00 0.00 C +ATOM 320 CA ALA A 320 437.884 530.618 499.736 1.00 0.00 C +ATOM 321 CA SER A 321 439.567 534.002 499.256 1.00 0.00 C +ATOM 322 CA PHE A 322 443.086 535.286 499.951 1.00 0.00 C +ATOM 323 CA SER A 323 445.052 535.177 503.213 1.00 0.00 C +ATOM 324 CA PRO A 324 443.222 536.826 506.120 1.00 0.00 C +ATOM 325 CA PRO A 325 440.030 535.151 507.354 1.00 0.00 C +ATOM 326 CA SER A 326 437.250 537.756 507.322 1.00 0.00 C +ATOM 327 CA LEU A 327 433.795 536.776 506.048 1.00 0.00 C +ATOM 328 CA ARG A 328 430.294 536.271 507.464 1.00 0.00 C +ATOM 329 CA PRO A 329 430.183 532.581 508.407 1.00 0.00 C +ATOM 330 CA SER A 330 427.145 530.437 507.572 1.00 0.00 C +ATOM 331 CA LEU A 331 424.243 530.453 510.041 1.00 0.00 C +ATOM 332 CA LEU A 332 422.268 529.019 512.966 1.00 0.00 C +ATOM 333 CA CYS A 333 422.439 529.275 516.764 1.00 0.00 C +ATOM 334 CA THR A 334 422.197 528.314 520.443 1.00 0.00 C +ATOM 335 CA VAL A 335 423.542 531.306 522.381 1.00 0.00 C +ATOM 336 CA CYS A 336 423.698 534.911 523.602 1.00 0.00 C +ATOM 337 CA LYS A 337 422.213 535.903 526.967 1.00 0.00 C +ATOM 338 CA VAL A 338 422.792 538.165 529.978 1.00 0.00 C +ATOM 339 CA GLN A 339 423.762 541.628 528.718 1.00 0.00 C +ATOM 340 CA PRO A 340 425.462 544.491 530.568 1.00 0.00 C +ATOM 341 CA PRO A 341 422.895 546.225 532.786 1.00 0.00 C +ATOM 342 CA THR A 342 419.998 548.379 534.006 1.00 0.00 C +ATOM 343 CA PRO A 343 417.111 550.845 533.701 1.00 0.00 C +ATOM 344 CA VAL A 344 417.218 553.628 536.302 1.00 0.00 C +ATOM 345 CA HIS A 345 418.871 556.896 537.351 1.00 0.00 C +ATOM 346 CA GLY A 346 418.929 557.532 541.107 1.00 0.00 C +ATOM 347 CA SER A 347 421.313 557.008 544.034 1.00 0.00 C +ATOM 348 CA ARG A 348 423.382 558.682 546.760 1.00 0.00 C +ATOM 349 CA ALA A 349 426.068 556.155 547.714 1.00 0.00 C +ATOM 350 CA GLN A 350 426.913 552.988 545.773 1.00 0.00 C +ATOM 351 CA PRO A 351 423.995 551.192 544.107 1.00 0.00 C +ATOM 352 CA ARG A 352 422.415 548.482 541.945 1.00 0.00 C +ATOM 353 CA PRO A 353 423.509 545.097 543.307 1.00 0.00 C +ATOM 354 CA PRO A 354 423.103 541.535 544.597 1.00 0.00 C +ATOM 355 CA LEU A 355 423.509 537.941 545.794 1.00 0.00 C +ATOM 356 CA PRO A 356 424.494 534.947 547.935 1.00 0.00 C +ATOM 357 CA THR A 357 427.721 535.674 549.826 1.00 0.00 C +ATOM 358 CA VAL A 358 430.387 537.956 551.311 1.00 0.00 C +ATOM 359 CA ASP A 359 429.429 541.642 551.400 1.00 0.00 C +ATOM 360 CA ARG A 360 432.030 544.408 551.712 1.00 0.00 C +ATOM 361 CA PRO A 361 434.631 544.726 548.946 1.00 0.00 C +ATOM 362 CA SER A 362 435.038 543.822 545.267 1.00 0.00 C +ATOM 363 CA VAL A 363 434.389 541.952 542.011 1.00 0.00 C +ATOM 364 CA HIS A 364 433.070 538.421 542.563 1.00 0.00 C +ATOM 365 CA PRO A 365 432.202 536.119 539.654 1.00 0.00 C +ATOM 366 CA GLY A 366 428.995 536.772 537.703 1.00 0.00 C +ATOM 367 CA HIS A 367 426.130 538.803 536.226 1.00 0.00 C +ATOM 368 CA PRO A 368 422.515 539.470 537.228 1.00 0.00 C +ATOM 369 CA ARG A 369 419.160 537.836 537.992 1.00 0.00 C +ATOM 370 CA PRO A 370 415.838 537.615 536.138 1.00 0.00 C +ATOM 371 CA PRO A 371 414.252 537.127 532.708 1.00 0.00 C +ATOM 372 CA VAL A 372 415.992 534.041 531.307 1.00 0.00 C +ATOM 373 CA SER A 373 415.777 534.048 527.503 1.00 0.00 C +ATOM 374 CA THR A 374 415.073 536.313 524.521 1.00 0.00 C +ATOM 375 CA PRO A 375 414.590 540.071 524.922 1.00 0.00 C +ATOM 376 CA VAL A 376 412.973 542.822 522.840 1.00 0.00 C +ATOM 377 CA PRO A 377 411.818 546.451 522.746 1.00 0.00 C +ATOM 378 CA SER A 378 408.257 547.803 522.645 1.00 0.00 C +ATOM 379 CA ARG A 379 404.710 549.183 522.471 1.00 0.00 C +ATOM 380 CA GLY A 380 401.123 548.548 523.585 1.00 0.00 C +ATOM 381 CA ASP A 381 399.439 548.015 526.961 1.00 0.00 C +ATOM 382 CA PHE A 382 395.790 546.968 526.629 1.00 0.00 C +ATOM 383 CA MET A 383 393.725 544.097 525.213 1.00 0.00 C +TER 384 MET A 383 +END diff --git a/Viruses/Q04405/Q04405.dcd b/Viruses/Q04405/Q04405.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c47d45e6de9e13047a4d4fe9c07eb02deb6ab9a9 --- /dev/null +++ b/Viruses/Q04405/Q04405.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:42d335629b43530d894355971e6099e09b847acffb65348d5d3ad957cc916245 +size 6680276 diff --git a/Viruses/Q04405/top.pdb b/Viruses/Q04405/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..47787e38e273510b6045dcd54d0fb9e1924ea92e --- /dev/null +++ b/Viruses/Q04405/top.pdb @@ -0,0 +1,53 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA CYS A 1 284.561 253.631 207.082 1.00 0.00 C +ATOM 2 CA ASN A 2 282.283 255.439 209.543 1.00 0.00 C +ATOM 3 CA LYS A 3 279.797 257.811 207.898 1.00 0.00 C +ATOM 4 CA SER A 4 278.828 260.335 210.583 1.00 0.00 C +ATOM 5 CA GLU A 5 276.911 259.661 213.805 1.00 0.00 C +ATOM 6 CA THR A 6 274.207 257.359 215.186 1.00 0.00 C +ATOM 7 CA ASP A 7 275.044 254.415 217.455 1.00 0.00 C +ATOM 8 CA LYS A 8 274.143 252.756 220.765 1.00 0.00 C +ATOM 9 CA TRP A 9 271.933 249.728 221.444 1.00 0.00 C +ATOM 10 CA GLY A 10 268.913 249.509 223.757 1.00 0.00 C +ATOM 11 CA LEU A 11 267.097 251.887 226.115 1.00 0.00 C +ATOM 12 CA ALA A 12 263.729 252.236 227.862 1.00 0.00 C +ATOM 13 CA LYS A 13 259.968 252.153 228.466 1.00 0.00 C +ATOM 14 CA SER A 14 257.479 249.440 229.447 1.00 0.00 C +ATOM 15 CA SER A 15 255.767 246.399 230.975 1.00 0.00 C +ATOM 16 CA THR A 16 256.609 244.198 233.968 1.00 0.00 C +ATOM 17 CA THR A 17 254.476 242.453 236.599 1.00 0.00 C +ATOM 18 CA THR A 18 251.510 242.220 238.980 1.00 0.00 C +ATOM 19 CA ALA A 19 251.690 245.408 241.059 1.00 0.00 C +ATOM 20 CA SER A 20 252.216 246.793 244.569 1.00 0.00 C +ATOM 21 CA THR A 21 254.782 247.026 247.376 1.00 0.00 C +ATOM 22 CA THR A 22 257.188 249.322 249.235 1.00 0.00 C +ATOM 23 CA THR A 23 258.728 252.560 250.523 1.00 0.00 C +ATOM 24 CA THR A 24 258.951 253.026 254.298 1.00 0.00 C +ATOM 25 CA THR A 25 259.722 253.370 258.013 1.00 0.00 C +ATOM 26 CA GLU A 26 258.690 250.515 260.315 1.00 0.00 C +ATOM 27 CA ALA A 27 255.896 247.930 260.485 1.00 0.00 C +ATOM 28 CA PRO A 28 252.535 246.671 261.765 1.00 0.00 C +ATOM 29 CA THR A 29 251.809 244.087 264.470 1.00 0.00 C +ATOM 30 CA PRO A 30 249.539 241.260 263.301 1.00 0.00 C +ATOM 31 CA VAL A 31 246.170 239.928 264.479 1.00 0.00 C +ATOM 32 CA SER A 32 242.433 239.184 264.429 1.00 0.00 C +ATOM 33 CA GLU A 33 239.633 241.550 265.465 1.00 0.00 C +ATOM 34 CA LYS A 34 238.077 243.299 268.471 1.00 0.00 C +ATOM 35 CA ILE A 35 236.475 245.921 270.723 1.00 0.00 C +ATOM 36 CA ASP A 36 233.251 246.580 272.643 1.00 0.00 C +ATOM 37 CA MET A 37 229.732 245.135 272.433 1.00 0.00 C +ATOM 38 CA VAL A 38 226.531 247.185 272.703 1.00 0.00 C +ATOM 39 CA ASN A 39 224.369 250.317 272.521 1.00 0.00 C +ATOM 40 CA GLU A 40 225.919 253.274 270.685 1.00 0.00 C +ATOM 41 CA THR A 41 224.406 256.362 272.327 1.00 0.00 C +ATOM 42 CA SER A 42 224.478 260.168 272.170 1.00 0.00 C +ATOM 43 CA SER A 43 224.316 261.654 275.675 1.00 0.00 C +ATOM 44 CA CYS A 44 225.103 258.723 277.979 1.00 0.00 C +ATOM 45 CA ILE A 45 227.067 255.469 278.240 1.00 0.00 C +ATOM 46 CA ALA A 46 225.524 253.049 280.746 1.00 0.00 C +ATOM 47 CA GLN A 47 223.175 250.069 281.086 1.00 0.00 C +ATOM 48 CA ASN A 48 220.126 247.858 280.511 1.00 0.00 C +ATOM 49 CA ASN A 49 218.214 244.678 281.374 1.00 0.00 C +TER 50 ASN A 49 +END diff --git a/Viruses/Q04420/Q04420.dcd b/Viruses/Q04420/Q04420.dcd new file mode 100644 index 0000000000000000000000000000000000000000..983a50aa15df6e45c64e74162d707d2fbddb6bbf --- /dev/null +++ b/Viruses/Q04420/Q04420.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ca4ba7edcdee8dad8c0e0c1db16c1d7a914eec8ba64c407e71fa494677045bb3 +size 6080276 diff --git a/Viruses/Q04420/top.pdb b/Viruses/Q04420/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c5698ead54c912dfd8e3d08ffd1b9f8d84822178 --- /dev/null +++ b/Viruses/Q04420/top.pdb @@ -0,0 +1,48 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA CYS A 1 209.311 239.236 232.893 1.00 0.00 C +ATOM 2 CA ASN A 2 210.114 241.876 235.520 1.00 0.00 C +ATOM 3 CA LYS A 3 210.090 244.476 238.305 1.00 0.00 C +ATOM 4 CA SER A 4 212.945 245.326 240.681 1.00 0.00 C +ATOM 5 CA GLU A 5 216.455 245.969 239.347 1.00 0.00 C +ATOM 6 CA THR A 6 219.226 247.158 241.675 1.00 0.00 C +ATOM 7 CA ASP A 7 221.147 249.267 244.201 1.00 0.00 C +ATOM 8 CA LYS A 8 221.381 250.865 247.652 1.00 0.00 C +ATOM 9 CA TRP A 9 224.054 253.564 247.951 1.00 0.00 C +ATOM 10 CA GLY A 10 225.170 257.195 248.240 1.00 0.00 C +ATOM 11 CA LEU A 11 224.292 259.991 250.675 1.00 0.00 C +ATOM 12 CA THR A 12 225.971 260.968 253.953 1.00 0.00 C +ATOM 13 CA LYS A 13 228.185 259.072 256.407 1.00 0.00 C +ATOM 14 CA SER A 14 231.897 259.642 257.050 1.00 0.00 C +ATOM 15 CA SER A 15 235.604 260.388 257.512 1.00 0.00 C +ATOM 16 CA THR A 16 237.992 263.137 256.392 1.00 0.00 C +ATOM 17 CA THR A 17 241.781 263.165 256.798 1.00 0.00 C +ATOM 18 CA THR A 18 242.941 261.899 260.199 1.00 0.00 C +ATOM 19 CA THR A 19 244.372 260.356 263.375 1.00 0.00 C +ATOM 20 CA THR A 20 245.172 256.768 262.371 1.00 0.00 C +ATOM 21 CA THR A 21 245.625 253.832 259.986 1.00 0.00 C +ATOM 22 CA THR A 22 248.376 254.420 257.416 1.00 0.00 C +ATOM 23 CA THR A 23 251.039 253.878 254.746 1.00 0.00 C +ATOM 24 CA THR A 24 253.384 252.129 252.305 1.00 0.00 C +ATOM 25 CA PRO A 25 256.990 252.692 253.398 1.00 0.00 C +ATOM 26 CA VAL A 26 258.746 249.311 253.454 1.00 0.00 C +ATOM 27 CA ALA A 27 261.482 249.601 250.819 1.00 0.00 C +ATOM 28 CA LYS A 28 260.438 247.801 247.627 1.00 0.00 C +ATOM 29 CA PRO A 29 262.562 245.014 246.133 1.00 0.00 C +ATOM 30 CA ILE A 30 264.652 244.238 243.043 1.00 0.00 C +ATOM 31 CA ASP A 31 268.218 245.057 244.106 1.00 0.00 C +ATOM 32 CA MET A 32 271.677 244.766 245.676 1.00 0.00 C +ATOM 33 CA VAL A 33 272.116 247.651 248.126 1.00 0.00 C +ATOM 34 CA SER A 34 273.259 251.268 247.768 1.00 0.00 C +ATOM 35 CA GLU A 35 276.742 252.301 248.919 1.00 0.00 C +ATOM 36 CA ASN A 36 279.383 250.032 250.464 1.00 0.00 C +ATOM 37 CA SER A 37 279.151 246.632 248.761 1.00 0.00 C +ATOM 38 CA SER A 38 278.398 244.901 245.452 1.00 0.00 C +ATOM 39 CA CYS A 39 279.630 241.313 245.810 1.00 0.00 C +ATOM 40 CA ILE A 40 282.685 240.327 247.862 1.00 0.00 C +ATOM 41 CA THR A 41 285.551 241.306 250.174 1.00 0.00 C +ATOM 42 CA HIS A 42 286.858 239.969 253.493 1.00 0.00 C +ATOM 43 CA ASP A 43 286.426 237.011 255.856 1.00 0.00 C +ATOM 44 CA ASN A 44 288.515 234.230 257.411 1.00 0.00 C +TER 45 ASN A 44 +END diff --git a/Viruses/Q05293/Q05293.dcd b/Viruses/Q05293/Q05293.dcd new file mode 100644 index 0000000000000000000000000000000000000000..16efd7b0f768f15c65c0d9218f0cc81f7ba76486 --- /dev/null +++ b/Viruses/Q05293/Q05293.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1e357278d286ec941b659f7f087df3164670a0dc1062544dc2243f54a6013bc9 +size 6200276 diff --git a/Viruses/Q05293/top.pdb b/Viruses/Q05293/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7d470d01889fe717bc1664498e070a52d0347e50 --- /dev/null +++ b/Viruses/Q05293/top.pdb @@ -0,0 +1,49 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 258.949 257.859 271.439 1.00 0.00 C +ATOM 2 CA LYS A 2 260.389 254.686 269.900 1.00 0.00 C +ATOM 3 CA LYS A 3 262.571 252.441 267.727 1.00 0.00 C +ATOM 4 CA MET A 4 265.354 254.412 266.029 1.00 0.00 C +ATOM 5 CA SER A 5 267.999 253.856 263.344 1.00 0.00 C +ATOM 6 CA ASP A 6 266.564 251.579 260.648 1.00 0.00 C +ATOM 7 CA GLN A 7 263.068 250.136 260.185 1.00 0.00 C +ATOM 8 CA LEU A 8 260.762 249.407 257.241 1.00 0.00 C +ATOM 9 CA LYS A 9 262.104 249.325 253.677 1.00 0.00 C +ATOM 10 CA ALA A 10 260.943 249.057 250.058 1.00 0.00 C +ATOM 11 CA ARG A 11 260.436 246.243 247.539 1.00 0.00 C +ATOM 12 CA LEU A 12 258.369 243.187 248.492 1.00 0.00 C +ATOM 13 CA GLU A 13 260.076 240.209 250.145 1.00 0.00 C +ATOM 14 CA LEU A 14 262.163 237.576 251.942 1.00 0.00 C +ATOM 15 CA ARG A 15 261.494 235.860 255.277 1.00 0.00 C +ATOM 16 CA LEU A 16 258.498 233.720 256.256 1.00 0.00 C +ATOM 17 CA SER A 17 254.839 234.225 255.324 1.00 0.00 C +ATOM 18 CA ASN A 18 251.680 235.505 253.621 1.00 0.00 C +ATOM 19 CA ALA A 19 250.823 234.842 249.968 1.00 0.00 C +ATOM 20 CA ALA A 20 248.778 237.066 247.646 1.00 0.00 C +ATOM 21 CA GLN A 21 245.721 239.232 248.336 1.00 0.00 C +ATOM 22 CA PRO A 22 243.763 241.475 245.958 1.00 0.00 C +ATOM 23 CA HIS A 23 241.393 241.494 242.975 1.00 0.00 C +ATOM 24 CA ARG A 24 237.905 242.013 244.418 1.00 0.00 C +ATOM 25 CA ASN A 25 234.639 243.848 245.113 1.00 0.00 C +ATOM 26 CA ARG A 26 233.368 247.079 243.545 1.00 0.00 C +ATOM 27 CA LYS A 27 231.502 247.270 240.229 1.00 0.00 C +ATOM 28 CA ARG A 28 229.810 249.546 237.684 1.00 0.00 C +ATOM 29 CA GLU A 29 232.132 250.715 234.900 1.00 0.00 C +ATOM 30 CA MET A 30 234.572 253.190 236.462 1.00 0.00 C +ATOM 31 CA LYS A 31 234.669 255.806 239.230 1.00 0.00 C +ATOM 32 CA ARG A 32 236.693 255.600 242.452 1.00 0.00 C +ATOM 33 CA PRO A 33 238.911 258.095 244.288 1.00 0.00 C +ATOM 34 CA GLY A 34 238.508 261.230 246.416 1.00 0.00 C +ATOM 35 CA LYS A 35 241.880 262.989 246.195 1.00 0.00 C +ATOM 36 CA GLY A 36 245.153 261.969 247.857 1.00 0.00 C +ATOM 37 CA ASN A 37 247.002 259.937 245.217 1.00 0.00 C +ATOM 38 CA ARG A 38 248.331 261.468 241.992 1.00 0.00 C +ATOM 39 CA ASN A 39 251.847 262.528 240.976 1.00 0.00 C +ATOM 40 CA ASN A 40 254.307 260.272 242.813 1.00 0.00 C +ATOM 41 CA TRP A 41 253.699 258.879 246.306 1.00 0.00 C +ATOM 42 CA LYS A 42 254.025 259.268 250.082 1.00 0.00 C +ATOM 43 CA LYS A 43 250.694 260.126 251.721 1.00 0.00 C +ATOM 44 CA GLU A 44 247.877 257.733 252.650 1.00 0.00 C +ATOM 45 CA TYR A 45 245.743 257.046 255.730 1.00 0.00 C +TER 46 TYR A 45 +END diff --git a/Viruses/Q06E77/Q06E77.dcd b/Viruses/Q06E77/Q06E77.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f8f82eafbc1afb6d6984548da9deb0e1dc771051 --- /dev/null +++ b/Viruses/Q06E77/Q06E77.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:97269ef2c427049f2708711c478d5e009a80f12e811a3a600fa97ed13f2be839 +size 5480276 diff --git a/Viruses/Q06E77/top.pdb b/Viruses/Q06E77/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d538b825a735d47af2087fdde65f8705c40792e0 --- /dev/null +++ b/Viruses/Q06E77/top.pdb @@ -0,0 +1,43 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 240.013 242.644 256.386 1.00 0.00 C +ATOM 2 CA ASN A 2 242.062 245.800 255.786 1.00 0.00 C +ATOM 3 CA ASN A 3 241.631 247.859 258.963 1.00 0.00 C +ATOM 4 CA LEU A 4 238.736 246.414 260.974 1.00 0.00 C +ATOM 5 CA VAL A 5 239.089 243.973 263.878 1.00 0.00 C +ATOM 6 CA ALA A 6 240.496 240.448 263.544 1.00 0.00 C +ATOM 7 CA LYS A 7 241.110 236.698 263.273 1.00 0.00 C +ATOM 8 CA HIS A 8 244.551 235.068 263.121 1.00 0.00 C +ATOM 9 CA ASN A 9 245.804 235.077 259.523 1.00 0.00 C +ATOM 10 CA PHE A 10 249.341 234.678 258.164 1.00 0.00 C +ATOM 11 CA ASN A 11 249.844 237.102 255.267 1.00 0.00 C +ATOM 12 CA LYS A 12 251.555 240.360 256.253 1.00 0.00 C +ATOM 13 CA ALA A 13 251.584 243.350 253.891 1.00 0.00 C +ATOM 14 CA SER A 14 248.950 246.036 253.290 1.00 0.00 C +ATOM 15 CA VAL A 15 247.690 249.010 251.269 1.00 0.00 C +ATOM 16 CA HIS A 16 249.787 250.896 248.707 1.00 0.00 C +ATOM 17 CA LYS A 17 249.233 252.943 245.542 1.00 0.00 C +ATOM 18 CA ASP A 18 245.888 254.767 245.623 1.00 0.00 C +ATOM 19 CA LYS A 19 243.093 256.759 247.277 1.00 0.00 C +ATOM 20 CA LYS A 20 240.756 258.487 244.813 1.00 0.00 C +ATOM 21 CA LYS A 21 240.679 261.068 242.011 1.00 0.00 C +ATOM 22 CA ALA A 22 242.236 264.542 242.160 1.00 0.00 C +ATOM 23 CA PHE A 23 244.846 266.564 244.062 1.00 0.00 C +ATOM 24 CA LYS A 24 247.919 264.359 244.516 1.00 0.00 C +ATOM 25 CA GLU A 25 251.583 263.314 244.543 1.00 0.00 C +ATOM 26 CA SER A 26 253.463 263.408 241.231 1.00 0.00 C +ATOM 27 CA ASN A 27 253.128 260.873 238.407 1.00 0.00 C +ATOM 28 CA ARG A 28 256.543 259.288 237.820 1.00 0.00 C +ATOM 29 CA LYS A 29 257.518 255.650 238.392 1.00 0.00 C +ATOM 30 CA GLN A 30 259.805 252.685 239.095 1.00 0.00 C +ATOM 31 CA LYS A 31 259.943 248.883 238.881 1.00 0.00 C +ATOM 32 CA HIS A 32 259.679 245.873 241.201 1.00 0.00 C +ATOM 33 CA LYS A 33 258.133 245.664 244.677 1.00 0.00 C +ATOM 34 CA GLY A 34 258.802 248.113 247.518 1.00 0.00 C +ATOM 35 CA LYS A 35 255.892 248.030 249.976 1.00 0.00 C +ATOM 36 CA VAL A 36 256.778 250.376 252.844 1.00 0.00 C +ATOM 37 CA TYR A 37 260.586 250.498 252.845 1.00 0.00 C +ATOM 38 CA ASP A 38 264.330 250.816 253.473 1.00 0.00 C +ATOM 39 CA TYR A 39 266.925 251.625 250.803 1.00 0.00 C +TER 40 TYR A 39 +END diff --git a/Viruses/Q06IZ2/Q06IZ2.dcd b/Viruses/Q06IZ2/Q06IZ2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..7206874a402d3e40470b7855d3135636fef8f9e2 --- /dev/null +++ b/Viruses/Q06IZ2/Q06IZ2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d56ee9be604efaf342ad6910823016f1d9eda14e98482ea93df8e9d73f27d67a +size 4640276 diff --git a/Viruses/Q06IZ2/top.pdb b/Viruses/Q06IZ2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..fbe77e58be567718d37c4f92e96d72120dc687a3 --- /dev/null +++ b/Viruses/Q06IZ2/top.pdb @@ -0,0 +1,36 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LYS A 1 259.719 252.410 258.820 1.00 0.00 C +ATOM 2 CA LYS A 2 256.903 251.540 256.406 1.00 0.00 C +ATOM 3 CA LEU A 3 253.530 249.847 255.886 1.00 0.00 C +ATOM 4 CA GLY A 4 251.037 249.378 253.044 1.00 0.00 C +ATOM 5 CA LEU A 5 252.355 249.157 249.476 1.00 0.00 C +ATOM 6 CA LYS A 6 253.458 250.053 245.940 1.00 0.00 C +ATOM 7 CA THR A 7 255.757 253.068 245.574 1.00 0.00 C +ATOM 8 CA ASN A 8 259.557 252.803 245.670 1.00 0.00 C +ATOM 9 CA GLY A 9 262.475 251.363 247.652 1.00 0.00 C +ATOM 10 CA THR A 10 263.822 247.844 248.215 1.00 0.00 C +ATOM 11 CA LEU A 11 261.154 245.557 249.686 1.00 0.00 C +ATOM 12 CA ARG A 12 258.378 244.765 247.199 1.00 0.00 C +ATOM 13 CA GLN A 13 258.078 241.021 246.560 1.00 0.00 C +ATOM 14 CA GLU A 14 255.090 239.669 244.620 1.00 0.00 C +ATOM 15 CA GLY A 15 251.352 239.854 245.333 1.00 0.00 C +ATOM 16 CA ARG A 16 247.556 239.924 245.021 1.00 0.00 C +ATOM 17 CA ASP A 17 246.239 238.773 248.406 1.00 0.00 C +ATOM 18 CA LYS A 18 244.126 241.608 249.825 1.00 0.00 C +ATOM 19 CA GLY A 19 241.002 241.698 247.646 1.00 0.00 C +ATOM 20 CA ASP A 20 238.416 244.433 248.234 1.00 0.00 C +ATOM 21 CA ASN A 21 237.562 247.289 245.861 1.00 0.00 C +ATOM 22 CA ARG A 22 239.025 250.807 245.803 1.00 0.00 C +ATOM 23 CA GLY A 23 239.754 254.546 245.807 1.00 0.00 C +ATOM 24 CA VAL A 24 238.621 256.611 248.802 1.00 0.00 C +ATOM 25 CA GLY A 25 240.445 255.184 251.828 1.00 0.00 C +ATOM 26 CA ALA A 26 243.384 252.760 251.803 1.00 0.00 C +ATOM 27 CA GLY A 27 246.697 253.856 250.275 1.00 0.00 C +ATOM 28 CA GLU A 28 249.213 256.255 251.834 1.00 0.00 C +ATOM 29 CA SER A 29 249.357 259.959 252.718 1.00 0.00 C +ATOM 30 CA PRO A 30 250.274 261.673 255.994 1.00 0.00 C +ATOM 31 CA ALA A 31 249.591 262.532 259.643 1.00 0.00 C +ATOM 32 CA ASN A 32 246.070 263.765 260.418 1.00 0.00 C +TER 33 ASN A 32 +END diff --git a/Viruses/Q08IT9/Q08IT9.dcd b/Viruses/Q08IT9/Q08IT9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..9787f05b2996b54525f031f7ab8d64281dfbc5a5 --- /dev/null +++ b/Viruses/Q08IT9/Q08IT9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2b5f0ab72fd53923feafc362e70409358659e44994423ae624be1524bba82f78 +size 4640276 diff --git a/Viruses/Q08IT9/top.pdb b/Viruses/Q08IT9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..76017850c8a47e400e14a63750e578465f7ea8a0 --- /dev/null +++ b/Viruses/Q08IT9/top.pdb @@ -0,0 +1,36 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA SER A 1 262.570 233.983 250.744 1.00 0.00 C +ATOM 2 CA PRO A 2 259.509 235.911 249.546 1.00 0.00 C +ATOM 3 CA ILE A 3 255.925 236.699 250.571 1.00 0.00 C +ATOM 4 CA PHE A 4 253.723 238.009 253.390 1.00 0.00 C +ATOM 5 CA ILE A 5 252.421 235.771 256.185 1.00 0.00 C +ATOM 6 CA GLN A 6 254.762 235.779 259.191 1.00 0.00 C +ATOM 7 CA PRO A 7 255.686 236.955 262.695 1.00 0.00 C +ATOM 8 CA THR A 8 256.599 240.531 263.640 1.00 0.00 C +ATOM 9 CA PRO A 9 256.913 243.204 266.337 1.00 0.00 C +ATOM 10 CA SER A 10 260.062 245.328 266.638 1.00 0.00 C +ATOM 11 CA HIS A 11 263.094 247.171 265.250 1.00 0.00 C +ATOM 12 CA LEU A 12 262.719 250.632 263.701 1.00 0.00 C +ATOM 13 CA THR A 13 261.924 250.782 259.978 1.00 0.00 C +ATOM 14 CA TYR A 14 258.777 250.330 257.877 1.00 0.00 C +ATOM 15 CA GLN A 15 258.493 248.821 254.391 1.00 0.00 C +ATOM 16 CA PRO A 16 254.840 249.185 253.371 1.00 0.00 C +ATOM 17 CA GLN A 17 251.972 251.498 252.404 1.00 0.00 C +ATOM 18 CA PRO A 18 250.610 252.379 248.957 1.00 0.00 C +ATOM 19 CA GLY A 19 249.619 253.231 245.378 1.00 0.00 C +ATOM 20 CA LEU A 20 246.013 254.457 245.287 1.00 0.00 C +ATOM 21 CA GLU A 21 243.087 253.202 243.194 1.00 0.00 C +ATOM 22 CA LEU A 22 239.379 253.973 242.782 1.00 0.00 C +ATOM 23 CA ALA A 23 236.263 253.634 240.616 1.00 0.00 C +ATOM 24 CA LEU A 24 233.027 254.813 238.985 1.00 0.00 C +ATOM 25 CA GLY A 25 231.558 257.829 240.792 1.00 0.00 C +ATOM 26 CA SER A 26 232.389 261.504 240.232 1.00 0.00 C +ATOM 27 CA ARG A 27 235.677 262.801 238.809 1.00 0.00 C +ATOM 28 CA PRO A 28 237.951 259.745 238.737 1.00 0.00 C +ATOM 29 CA VAL A 29 241.719 260.130 238.327 1.00 0.00 C +ATOM 30 CA HIS A 30 244.462 262.244 236.738 1.00 0.00 C +ATOM 31 CA SER A 31 247.338 264.321 238.128 1.00 0.00 C +ATOM 32 CA ALA A 32 250.921 265.149 237.130 1.00 0.00 C +TER 33 ALA A 32 +END diff --git a/Viruses/Q08IU0/Q08IU0.dcd b/Viruses/Q08IU0/Q08IU0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..96fad621374f28cda7709552470c90b66c11355f --- /dev/null +++ b/Viruses/Q08IU0/Q08IU0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:adb1fc85611f1f61db91ba255d28e5e83599d9219b89de6cbb594005e325a5da +size 4640276 diff --git a/Viruses/Q08IU0/top.pdb b/Viruses/Q08IU0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..36d0c6ada62b9985a99d2ee14ef6115b3d484002 --- /dev/null +++ b/Viruses/Q08IU0/top.pdb @@ -0,0 +1,36 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LEU A 1 260.407 227.032 263.315 1.00 0.00 C +ATOM 2 CA PRO A 2 260.663 230.832 263.437 1.00 0.00 C +ATOM 3 CA TYR A 3 261.631 234.493 263.021 1.00 0.00 C +ATOM 4 CA ILE A 4 259.905 237.635 261.731 1.00 0.00 C +ATOM 5 CA HIS A 5 256.564 238.136 259.970 1.00 0.00 C +ATOM 6 CA PRO A 6 253.934 238.256 262.723 1.00 0.00 C +ATOM 7 CA THR A 7 253.022 240.211 265.864 1.00 0.00 C +ATOM 8 CA ASN A 8 249.962 241.976 267.291 1.00 0.00 C +ATOM 9 CA PRO A 9 246.722 242.871 265.498 1.00 0.00 C +ATOM 10 CA PHE A 10 244.472 244.734 263.052 1.00 0.00 C +ATOM 11 CA ALA A 11 241.832 247.327 262.146 1.00 0.00 C +ATOM 12 CA SER A 12 242.597 250.669 260.484 1.00 0.00 C +ATOM 13 CA ASP A 13 244.954 251.534 257.618 1.00 0.00 C +ATOM 14 CA ILE A 14 246.990 249.066 255.549 1.00 0.00 C +ATOM 15 CA PRO A 15 248.367 249.923 252.101 1.00 0.00 C +ATOM 16 CA THR A 16 248.356 246.962 249.704 1.00 0.00 C +ATOM 17 CA ALA A 17 250.349 246.613 246.475 1.00 0.00 C +ATOM 18 CA ALA A 18 248.080 245.945 243.489 1.00 0.00 C +ATOM 19 CA GLY A 19 248.734 245.906 239.735 1.00 0.00 C +ATOM 20 CA SER A 20 247.147 246.597 236.341 1.00 0.00 C +ATOM 21 CA GLY A 21 247.264 249.999 234.629 1.00 0.00 C +ATOM 22 CA ALA A 22 244.796 252.882 234.964 1.00 0.00 C +ATOM 23 CA ARG A 23 245.539 255.480 232.279 1.00 0.00 C +ATOM 24 CA PRO A 24 246.052 259.014 233.609 1.00 0.00 C +ATOM 25 CA ARG A 25 248.205 261.988 234.625 1.00 0.00 C +ATOM 26 CA GLN A 26 247.697 264.025 237.804 1.00 0.00 C +ATOM 27 CA PRO A 27 247.877 261.468 240.623 1.00 0.00 C +ATOM 28 CA ALA A 28 249.715 261.705 243.952 1.00 0.00 C +ATOM 29 CA ARG A 29 251.064 265.171 244.778 1.00 0.00 C +ATOM 30 CA PRO A 30 253.023 267.769 242.795 1.00 0.00 C +ATOM 31 CA LEU A 31 253.027 270.282 239.931 1.00 0.00 C +ATOM 32 CA GLY A 32 251.052 273.495 240.468 1.00 0.00 C +TER 33 GLY A 32 +END diff --git a/Viruses/Q08IU3/Q08IU3.dcd b/Viruses/Q08IU3/Q08IU3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f74c1a4103fcceed4348aecf05668038e8624a1d --- /dev/null +++ b/Viruses/Q08IU3/Q08IU3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2da32b8cb4bc58fed5c77a7b027ef27458b5471899e18ffe6e41d101ba9b27c4 +size 4640276 diff --git a/Viruses/Q08IU3/top.pdb b/Viruses/Q08IU3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..dd012ae27af87eaf766c6bdf32c5d24a46f43c94 --- /dev/null +++ b/Viruses/Q08IU3/top.pdb @@ -0,0 +1,36 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA SER A 1 245.476 266.676 241.686 1.00 0.00 C +ATOM 2 CA PRO A 2 246.380 264.820 238.483 1.00 0.00 C +ATOM 3 CA ILE A 3 245.296 261.890 236.303 1.00 0.00 C +ATOM 4 CA PHE A 4 244.300 258.237 235.881 1.00 0.00 C +ATOM 5 CA ILE A 5 247.052 256.166 237.509 1.00 0.00 C +ATOM 6 CA GLN A 6 249.493 256.293 240.432 1.00 0.00 C +ATOM 7 CA PRO A 7 250.523 257.818 243.769 1.00 0.00 C +ATOM 8 CA THR A 8 252.232 255.516 246.278 1.00 0.00 C +ATOM 9 CA PRO A 9 255.544 255.023 248.095 1.00 0.00 C +ATOM 10 CA SER A 10 257.088 251.696 249.126 1.00 0.00 C +ATOM 11 CA HIS A 11 259.917 249.982 251.017 1.00 0.00 C +ATOM 12 CA PRO A 12 260.527 246.414 249.826 1.00 0.00 C +ATOM 13 CA THR A 13 260.285 242.784 250.957 1.00 0.00 C +ATOM 14 CA PHE A 14 257.225 240.534 250.649 1.00 0.00 C +ATOM 15 CA GLN A 15 253.425 240.314 250.804 1.00 0.00 C +ATOM 16 CA PRO A 16 251.943 238.353 253.715 1.00 0.00 C +ATOM 17 CA GLN A 17 251.415 234.700 254.662 1.00 0.00 C +ATOM 18 CA PRO A 18 250.656 232.875 257.919 1.00 0.00 C +ATOM 19 CA GLY A 19 250.643 234.498 261.366 1.00 0.00 C +ATOM 20 CA LEU A 20 252.888 237.300 262.641 1.00 0.00 C +ATOM 21 CA GLU A 21 251.842 240.645 264.135 1.00 0.00 C +ATOM 22 CA LEU A 22 251.904 243.309 261.412 1.00 0.00 C +ATOM 23 CA ALA A 23 253.863 246.034 259.608 1.00 0.00 C +ATOM 24 CA PHE A 24 252.919 249.237 257.773 1.00 0.00 C +ATOM 25 CA GLY A 25 251.678 251.209 254.760 1.00 0.00 C +ATOM 26 CA SER A 26 249.853 254.520 255.234 1.00 0.00 C +ATOM 27 CA GLN A 27 247.259 254.978 252.481 1.00 0.00 C +ATOM 28 CA PRO A 28 245.250 257.121 250.054 1.00 0.00 C +ATOM 29 CA ALA A 29 242.132 255.467 248.618 1.00 0.00 C +ATOM 30 CA HIS A 30 238.795 253.927 247.616 1.00 0.00 C +ATOM 31 CA SER A 31 236.334 254.324 244.734 1.00 0.00 C +ATOM 32 CA VAL A 32 235.865 257.341 242.456 1.00 0.00 C +TER 33 VAL A 32 +END diff --git a/Viruses/Q08IW3/Q08IW3.dcd b/Viruses/Q08IW3/Q08IW3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a25ccb741859dd3c769dfe9dbb61f1290bd042cc --- /dev/null +++ b/Viruses/Q08IW3/Q08IW3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:22c5e4c111d296e7757f1b53fd1f0f5c3a68654d141271a81d6c552edf1aa277 +size 4640276 diff --git a/Viruses/Q08IW3/top.pdb b/Viruses/Q08IW3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7b0de017e67a21a703fa3a1906b164625fc18565 --- /dev/null +++ b/Viruses/Q08IW3/top.pdb @@ -0,0 +1,36 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA SER A 1 257.241 270.851 269.004 1.00 0.00 C +ATOM 2 CA PRO A 2 255.541 267.465 269.401 1.00 0.00 C +ATOM 3 CA ILE A 3 254.346 265.144 266.626 1.00 0.00 C +ATOM 4 CA PHE A 4 253.721 264.601 262.907 1.00 0.00 C +ATOM 5 CA ILE A 5 250.106 263.783 262.026 1.00 0.00 C +ATOM 6 CA GLN A 6 246.597 264.401 260.677 1.00 0.00 C +ATOM 7 CA PRO A 7 244.133 266.417 258.584 1.00 0.00 C +ATOM 8 CA THR A 8 244.813 268.357 255.376 1.00 0.00 C +ATOM 9 CA PRO A 9 246.212 265.953 252.773 1.00 0.00 C +ATOM 10 CA SER A 10 249.281 263.732 253.178 1.00 0.00 C +ATOM 11 CA PRO A 11 249.343 261.229 256.051 1.00 0.00 C +ATOM 12 CA PRO A 12 248.217 258.675 258.644 1.00 0.00 C +ATOM 13 CA MET A 13 247.161 255.227 259.873 1.00 0.00 C +ATOM 14 CA LEU A 14 245.667 251.992 258.524 1.00 0.00 C +ATOM 15 CA LEU A 15 246.892 248.385 258.498 1.00 0.00 C +ATOM 16 CA HIS A 16 248.871 245.169 259.008 1.00 0.00 C +ATOM 17 CA ASN A 17 249.048 242.600 256.201 1.00 0.00 C +ATOM 18 CA PRO A 18 252.585 242.521 254.785 1.00 0.00 C +ATOM 19 CA GLY A 19 254.868 241.951 251.789 1.00 0.00 C +ATOM 20 CA LEU A 20 253.958 240.462 248.402 1.00 0.00 C +ATOM 21 CA GLU A 21 253.496 237.971 245.557 1.00 0.00 C +ATOM 22 CA LEU A 22 255.497 236.062 242.936 1.00 0.00 C +ATOM 23 CA ALA A 23 256.311 238.355 240.003 1.00 0.00 C +ATOM 24 CA LEU A 24 255.784 240.305 236.773 1.00 0.00 C +ATOM 25 CA ASP A 25 255.234 240.511 233.008 1.00 0.00 C +ATOM 26 CA SER A 26 252.799 240.881 230.102 1.00 0.00 C +ATOM 27 CA ARG A 27 249.192 240.390 231.227 1.00 0.00 C +ATOM 28 CA PRO A 28 246.453 239.313 228.807 1.00 0.00 C +ATOM 29 CA ALA A 29 243.607 237.264 230.297 1.00 0.00 C +ATOM 30 CA PRO A 30 243.071 235.068 233.364 1.00 0.00 C +ATOM 31 CA SER A 31 243.949 232.690 236.208 1.00 0.00 C +ATOM 32 CA ALA A 32 246.005 232.276 239.390 1.00 0.00 C +TER 33 ALA A 32 +END diff --git a/Viruses/Q08IW4/Q08IW4.dcd b/Viruses/Q08IW4/Q08IW4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..2eff02fe38283b64cc39df47f070baabc8498c9e --- /dev/null +++ b/Viruses/Q08IW4/Q08IW4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7e37c5795e0fc5c6b88abcfa5cd2bd13d215cc5e2f5e61b1665a167fb5b92968 +size 4640276 diff --git a/Viruses/Q08IW4/top.pdb b/Viruses/Q08IW4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..aca38e4dae1cad377de1eaeb592abbb95aff67c4 --- /dev/null +++ b/Viruses/Q08IW4/top.pdb @@ -0,0 +1,36 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LEU A 1 244.890 227.525 266.568 1.00 0.00 C +ATOM 2 CA PRO A 2 247.244 226.919 269.502 1.00 0.00 C +ATOM 3 CA TYR A 3 247.964 230.048 271.554 1.00 0.00 C +ATOM 4 CA ILE A 4 251.729 230.607 271.395 1.00 0.00 C +ATOM 5 CA HIS A 5 254.852 230.741 273.573 1.00 0.00 C +ATOM 6 CA PRO A 6 257.171 233.354 272.053 1.00 0.00 C +ATOM 7 CA THR A 7 257.196 233.373 268.244 1.00 0.00 C +ATOM 8 CA ASN A 8 256.397 233.457 264.519 1.00 0.00 C +ATOM 9 CA PRO A 9 256.723 235.877 261.594 1.00 0.00 C +ATOM 10 CA PHE A 10 260.267 236.109 260.217 1.00 0.00 C +ATOM 11 CA ALA A 11 262.292 239.123 259.063 1.00 0.00 C +ATOM 12 CA ALA A 12 262.613 241.852 256.423 1.00 0.00 C +ATOM 13 CA ASP A 13 263.705 244.860 254.355 1.00 0.00 C +ATOM 14 CA VAL A 14 264.800 248.222 252.936 1.00 0.00 C +ATOM 15 CA ALA A 15 263.406 251.716 252.334 1.00 0.00 C +ATOM 16 CA SER A 16 260.810 251.578 249.548 1.00 0.00 C +ATOM 17 CA GLN A 17 258.971 253.897 247.149 1.00 0.00 C +ATOM 18 CA SER A 18 255.506 255.381 247.702 1.00 0.00 C +ATOM 19 CA GLY A 19 252.591 256.752 245.666 1.00 0.00 C +ATOM 20 CA ALA A 20 250.004 257.398 242.945 1.00 0.00 C +ATOM 21 CA GLY A 21 246.585 258.716 241.901 1.00 0.00 C +ATOM 22 CA THR A 22 243.203 256.989 241.601 1.00 0.00 C +ATOM 23 CA ARG A 23 240.347 259.443 242.181 1.00 0.00 C +ATOM 24 CA PRO A 24 236.748 259.854 240.999 1.00 0.00 C +ATOM 25 CA ARG A 25 235.893 260.980 237.461 1.00 0.00 C +ATOM 26 CA GLN A 26 236.299 264.768 237.521 1.00 0.00 C +ATOM 27 CA PRO A 27 238.470 265.900 234.602 1.00 0.00 C +ATOM 28 CA PRO A 28 241.394 267.822 233.093 1.00 0.00 C +ATOM 29 CA ARG A 29 239.987 269.941 230.257 1.00 0.00 C +ATOM 30 CA PRO A 30 239.826 270.713 226.529 1.00 0.00 C +ATOM 31 CA LEU A 31 236.759 272.159 224.792 1.00 0.00 C +ATOM 32 CA GLY A 32 235.356 273.930 221.724 1.00 0.00 C +TER 33 GLY A 32 +END diff --git a/Viruses/Q08IW8/Q08IW8.dcd b/Viruses/Q08IW8/Q08IW8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e85e1753b49dbe579901d6fe09badd1852417530 --- /dev/null +++ b/Viruses/Q08IW8/Q08IW8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6570b92a01fcbcad1450f6fe222f05bdab59b424e464d0917fab395b6cef4631 +size 4640276 diff --git a/Viruses/Q08IW8/top.pdb b/Viruses/Q08IW8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e9a39f509be71c743d535cd11ac34fb3d2a228d1 --- /dev/null +++ b/Viruses/Q08IW8/top.pdb @@ -0,0 +1,36 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LEU A 1 233.967 253.200 257.442 1.00 0.00 C +ATOM 2 CA PRO A 2 237.384 254.812 256.952 1.00 0.00 C +ATOM 3 CA TYR A 3 239.120 258.181 257.351 1.00 0.00 C +ATOM 4 CA ILE A 4 242.495 259.284 258.731 1.00 0.00 C +ATOM 5 CA HIS A 5 244.331 256.644 260.776 1.00 0.00 C +ATOM 6 CA PRO A 6 244.456 252.836 260.707 1.00 0.00 C +ATOM 7 CA THR A 7 247.258 250.259 260.560 1.00 0.00 C +ATOM 8 CA ASN A 8 249.688 248.992 257.913 1.00 0.00 C +ATOM 9 CA PRO A 9 252.093 246.427 259.380 1.00 0.00 C +ATOM 10 CA PHE A 10 250.186 243.291 260.401 1.00 0.00 C +ATOM 11 CA ALA A 11 246.517 243.329 259.376 1.00 0.00 C +ATOM 12 CA ALA A 12 242.777 243.074 258.692 1.00 0.00 C +ATOM 13 CA ASP A 13 240.235 245.883 258.294 1.00 0.00 C +ATOM 14 CA VAL A 14 238.117 246.927 255.304 1.00 0.00 C +ATOM 15 CA VAL A 15 240.069 249.742 253.636 1.00 0.00 C +ATOM 16 CA SER A 16 243.239 250.252 251.585 1.00 0.00 C +ATOM 17 CA GLN A 17 242.651 251.754 248.134 1.00 0.00 C +ATOM 18 CA PRO A 18 242.682 250.843 244.434 1.00 0.00 C +ATOM 19 CA GLY A 19 245.498 251.916 242.103 1.00 0.00 C +ATOM 20 CA ALA A 20 247.247 250.624 238.974 1.00 0.00 C +ATOM 21 CA GLY A 21 250.094 249.910 236.545 1.00 0.00 C +ATOM 22 CA ALA A 22 253.273 249.911 238.646 1.00 0.00 C +ATOM 23 CA ARG A 23 257.083 249.909 238.693 1.00 0.00 C +ATOM 24 CA PRO A 24 258.169 246.260 238.543 1.00 0.00 C +ATOM 25 CA ARG A 25 260.838 243.585 239.029 1.00 0.00 C +ATOM 26 CA GLN A 26 264.282 245.214 239.062 1.00 0.00 C +ATOM 27 CA PRO A 27 266.792 247.132 241.192 1.00 0.00 C +ATOM 28 CA SER A 28 265.381 250.582 241.984 1.00 0.00 C +ATOM 29 CA ARG A 29 266.797 253.520 243.954 1.00 0.00 C +ATOM 30 CA PRO A 30 264.112 254.715 246.377 1.00 0.00 C +ATOM 31 CA LEU A 31 262.928 251.653 248.312 1.00 0.00 C +ATOM 32 CA GLY A 32 260.241 249.340 246.918 1.00 0.00 C +TER 33 GLY A 32 +END diff --git a/Viruses/Q08IX5/Q08IX5.dcd b/Viruses/Q08IX5/Q08IX5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..84fd9e6bc6e2908d49afbec6194bd955578583c1 --- /dev/null +++ b/Viruses/Q08IX5/Q08IX5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f26d98fb2b417f60ae83e90211de35e40efc10f29bca3b9d8c617a4b922b0c23 +size 4640276 diff --git a/Viruses/Q08IX5/top.pdb b/Viruses/Q08IX5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a3140160a99ed85f1bec6bd25df8586f7844f7f1 --- /dev/null +++ b/Viruses/Q08IX5/top.pdb @@ -0,0 +1,36 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA SER A 1 249.397 261.579 261.748 1.00 0.00 C +ATOM 2 CA PRO A 2 247.666 258.544 263.268 1.00 0.00 C +ATOM 3 CA ILE A 3 250.164 255.847 264.272 1.00 0.00 C +ATOM 4 CA PHE A 4 253.750 254.741 263.613 1.00 0.00 C +ATOM 5 CA ILE A 5 257.279 255.321 262.301 1.00 0.00 C +ATOM 6 CA GLN A 6 258.258 256.745 258.905 1.00 0.00 C +ATOM 7 CA PRO A 7 258.978 255.773 255.292 1.00 0.00 C +ATOM 8 CA THR A 8 259.797 252.221 254.184 1.00 0.00 C +ATOM 9 CA PRO A 9 260.382 249.525 251.556 1.00 0.00 C +ATOM 10 CA SER A 10 262.680 247.809 249.049 1.00 0.00 C +ATOM 11 CA PRO A 11 263.438 246.782 245.459 1.00 0.00 C +ATOM 12 CA PRO A 12 260.434 246.278 243.171 1.00 0.00 C +ATOM 13 CA MET A 13 256.801 245.267 243.717 1.00 0.00 C +ATOM 14 CA SER A 14 254.367 242.704 242.294 1.00 0.00 C +ATOM 15 CA PHE A 15 250.783 243.996 242.368 1.00 0.00 C +ATOM 16 CA HIS A 16 248.466 246.964 241.789 1.00 0.00 C +ATOM 17 CA ASN A 17 246.186 249.927 241.052 1.00 0.00 C +ATOM 18 CA PRO A 18 247.161 253.475 242.039 1.00 0.00 C +ATOM 19 CA GLY A 19 244.704 256.261 241.190 1.00 0.00 C +ATOM 20 CA LEU A 20 241.629 256.601 238.967 1.00 0.00 C +ATOM 21 CA GLU A 21 238.424 254.769 239.911 1.00 0.00 C +ATOM 22 CA LEU A 22 236.169 251.715 240.233 1.00 0.00 C +ATOM 23 CA ALA A 23 236.999 249.977 243.520 1.00 0.00 C +ATOM 24 CA LEU A 24 239.002 246.757 243.152 1.00 0.00 C +ATOM 25 CA ASP A 25 238.444 244.495 246.168 1.00 0.00 C +ATOM 26 CA SER A 26 239.520 243.705 249.736 1.00 0.00 C +ATOM 27 CA ARG A 27 242.496 245.478 251.322 1.00 0.00 C +ATOM 28 CA PRO A 28 245.909 243.787 251.415 1.00 0.00 C +ATOM 29 CA ALA A 29 248.883 244.288 253.742 1.00 0.00 C +ATOM 30 CA PRO A 30 251.469 245.204 256.386 1.00 0.00 C +ATOM 31 CA LEU A 31 255.048 246.156 257.281 1.00 0.00 C +ATOM 32 CA VAL A 32 255.319 247.312 260.901 1.00 0.00 C +TER 33 VAL A 32 +END diff --git a/Viruses/Q08J01/Q08J01.dcd b/Viruses/Q08J01/Q08J01.dcd new file mode 100644 index 0000000000000000000000000000000000000000..4bd5c5d01b7e261d27e1fb6d5845e0d7162e47ba --- /dev/null +++ b/Viruses/Q08J01/Q08J01.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:380c45bf55f55405c0893cf98d380edb89fd81428ebca7201a26aa0e76a85d8b +size 4640276 diff --git a/Viruses/Q08J01/top.pdb b/Viruses/Q08J01/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8ea9746b12885c0121034502579b2a97c6a78bbc --- /dev/null +++ b/Viruses/Q08J01/top.pdb @@ -0,0 +1,36 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA SER A 1 251.550 251.796 263.702 1.00 0.00 C +ATOM 2 CA PRO A 2 252.323 248.541 261.881 1.00 0.00 C +ATOM 3 CA ILE A 3 253.122 245.669 264.254 1.00 0.00 C +ATOM 4 CA PHE A 4 254.782 245.407 267.673 1.00 0.00 C +ATOM 5 CA ILE A 5 256.344 246.188 271.059 1.00 0.00 C +ATOM 6 CA GLN A 6 256.369 249.339 273.202 1.00 0.00 C +ATOM 7 CA PRO A 7 258.983 251.771 274.532 1.00 0.00 C +ATOM 8 CA THR A 8 262.450 251.593 272.962 1.00 0.00 C +ATOM 9 CA PRO A 9 261.903 252.083 269.224 1.00 0.00 C +ATOM 10 CA SER A 10 260.835 248.997 267.261 1.00 0.00 C +ATOM 11 CA PRO A 11 259.176 249.178 263.836 1.00 0.00 C +ATOM 12 CA PRO A 12 258.508 249.490 260.098 1.00 0.00 C +ATOM 13 CA MET A 13 256.028 251.426 257.950 1.00 0.00 C +ATOM 14 CA SER A 14 255.016 253.714 255.076 1.00 0.00 C +ATOM 15 CA PRO A 15 255.153 251.556 251.939 1.00 0.00 C +ATOM 16 CA LEU A 16 252.968 248.490 251.358 1.00 0.00 C +ATOM 17 CA ARG A 17 249.435 249.225 250.134 1.00 0.00 C +ATOM 18 CA PRO A 18 247.063 251.564 248.287 1.00 0.00 C +ATOM 19 CA GLY A 19 243.327 251.578 247.538 1.00 0.00 C +ATOM 20 CA LEU A 20 240.974 252.776 244.791 1.00 0.00 C +ATOM 21 CA ASP A 21 239.989 251.809 241.240 1.00 0.00 C +ATOM 22 CA LEU A 22 243.219 251.233 239.302 1.00 0.00 C +ATOM 23 CA VAL A 23 246.980 251.529 238.773 1.00 0.00 C +ATOM 24 CA PHE A 24 249.223 250.150 236.019 1.00 0.00 C +ATOM 25 CA ALA A 25 247.513 251.116 232.754 1.00 0.00 C +ATOM 26 CA ASN A 26 247.163 250.807 228.973 1.00 0.00 C +ATOM 27 CA PRO A 27 245.264 253.192 226.688 1.00 0.00 C +ATOM 28 CA PRO A 28 242.319 252.178 224.493 1.00 0.00 C +ATOM 29 CA ASP A 29 240.380 249.049 225.476 1.00 0.00 C +ATOM 30 CA HIS A 30 237.892 246.271 226.252 1.00 0.00 C +ATOM 31 CA SER A 31 236.711 245.610 229.813 1.00 0.00 C +ATOM 32 CA ALA A 32 237.038 246.673 233.458 1.00 0.00 C +TER 33 ALA A 32 +END diff --git a/Viruses/Q08J02/Q08J02.dcd b/Viruses/Q08J02/Q08J02.dcd new file mode 100644 index 0000000000000000000000000000000000000000..1dfbde402702e94c2b42d89f420072df5a875c99 --- /dev/null +++ b/Viruses/Q08J02/Q08J02.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0a4f24efa6ea543926853e0310f438cefa5abdc68d43c441ea8ef56f5fa6796d +size 4640276 diff --git a/Viruses/Q08J02/top.pdb b/Viruses/Q08J02/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..45054210d9a8bf44413ba9a083bbbe1eff5e7e1e --- /dev/null +++ b/Viruses/Q08J02/top.pdb @@ -0,0 +1,36 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ILE A 1 234.232 260.798 249.138 1.00 0.00 C +ATOM 2 CA PRO A 2 237.566 259.273 248.103 1.00 0.00 C +ATOM 3 CA TYR A 3 241.111 257.995 248.667 1.00 0.00 C +ATOM 4 CA ILE A 4 242.984 254.798 249.554 1.00 0.00 C +ATOM 5 CA HIS A 5 244.192 253.482 252.919 1.00 0.00 C +ATOM 6 CA PRO A 6 241.900 253.181 255.948 1.00 0.00 C +ATOM 7 CA THR A 7 240.840 256.332 257.810 1.00 0.00 C +ATOM 8 CA ASN A 8 241.157 259.094 255.204 1.00 0.00 C +ATOM 9 CA PRO A 9 244.146 261.235 254.207 1.00 0.00 C +ATOM 10 CA PHE A 10 247.104 259.135 253.041 1.00 0.00 C +ATOM 11 CA ALA A 11 248.772 257.485 250.040 1.00 0.00 C +ATOM 12 CA PRO A 12 252.528 256.852 249.978 1.00 0.00 C +ATOM 13 CA ASP A 13 255.618 258.732 248.780 1.00 0.00 C +ATOM 14 CA VAL A 14 256.993 260.827 245.910 1.00 0.00 C +ATOM 15 CA THR A 15 258.255 259.422 242.601 1.00 0.00 C +ATOM 16 CA ALA A 16 258.935 255.863 241.424 1.00 0.00 C +ATOM 17 CA ALA A 17 259.982 252.211 241.716 1.00 0.00 C +ATOM 18 CA ALA A 18 259.134 248.903 240.027 1.00 0.00 C +ATOM 19 CA GLY A 19 255.561 247.590 239.882 1.00 0.00 C +ATOM 20 CA ALA A 20 252.658 245.988 241.760 1.00 0.00 C +ATOM 21 CA GLY A 21 250.505 242.995 242.720 1.00 0.00 C +ATOM 22 CA PRO A 22 249.905 239.512 244.143 1.00 0.00 C +ATOM 23 CA ARG A 23 247.923 236.521 245.423 1.00 0.00 C +ATOM 24 CA VAL A 24 250.012 234.257 247.664 1.00 0.00 C +ATOM 25 CA ARG A 25 253.458 233.311 248.987 1.00 0.00 C +ATOM 26 CA GLN A 26 255.217 234.244 252.235 1.00 0.00 C +ATOM 27 CA PRO A 27 254.016 236.735 254.856 1.00 0.00 C +ATOM 28 CA ALA A 28 252.941 240.379 254.572 1.00 0.00 C +ATOM 29 CA ARG A 29 254.497 242.670 257.189 1.00 0.00 C +ATOM 30 CA PRO A 30 252.785 245.915 258.215 1.00 0.00 C +ATOM 31 CA LEU A 31 252.770 246.168 262.017 1.00 0.00 C +ATOM 32 CA GLY A 32 252.304 248.097 265.269 1.00 0.00 C +TER 33 GLY A 32 +END diff --git a/Viruses/Q0GGW6/Q0GGW6.dcd b/Viruses/Q0GGW6/Q0GGW6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c4e8fabba889d5ccbb43c523cd01dd3aa5c17417 --- /dev/null +++ b/Viruses/Q0GGW6/Q0GGW6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5f2cdb1666ee92cd0ae5c2a10b92992d21700f267cd85cff73065262f4397f95 +size 37920276 diff --git a/Viruses/Q0GGW6/top.pdb b/Viruses/Q0GGW6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..cba4344938df0f6354df2b524d2a61d381bddab8 --- /dev/null +++ b/Viruses/Q0GGW6/top.pdb @@ -0,0 +1,208 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLY A 1 272.587 293.371 230.976 1.00 0.00 C +ATOM 2 CA SER A 2 269.563 293.737 233.264 1.00 0.00 C +ATOM 3 CA PHE A 3 266.364 292.936 235.172 1.00 0.00 C +ATOM 4 CA ILE A 4 266.242 294.687 238.553 1.00 0.00 C +ATOM 5 CA ARG A 5 267.776 294.741 242.041 1.00 0.00 C +ATOM 6 CA MET A 6 269.479 293.100 245.028 1.00 0.00 C +ATOM 7 CA ALA A 7 271.340 293.873 248.261 1.00 0.00 C +ATOM 8 CA ARG A 8 271.430 297.088 250.304 1.00 0.00 C +ATOM 9 CA PRO A 9 269.046 298.186 253.066 1.00 0.00 C +ATOM 10 CA THR A 10 266.357 297.721 255.724 1.00 0.00 C +ATOM 11 CA GLU A 11 267.474 296.968 259.288 1.00 0.00 C +ATOM 12 CA ASP A 12 269.894 296.199 262.128 1.00 0.00 C +ATOM 13 CA VAL A 13 273.277 295.095 263.488 1.00 0.00 C +ATOM 14 CA GLY A 14 274.603 291.663 264.478 1.00 0.00 C +ATOM 15 CA VAL A 15 275.605 288.523 262.566 1.00 0.00 C +ATOM 16 CA LEU A 16 279.334 287.981 262.005 1.00 0.00 C +ATOM 17 CA PRO A 17 282.435 286.044 260.934 1.00 0.00 C +ATOM 18 CA PRO A 18 284.847 283.365 259.701 1.00 0.00 C +ATOM 19 CA HIS A 19 286.645 280.392 258.137 1.00 0.00 C +ATOM 20 CA TRP A 20 289.113 280.685 255.250 1.00 0.00 C +ATOM 21 CA ALA A 21 292.868 280.051 255.113 1.00 0.00 C +ATOM 22 CA PRO A 22 296.378 280.744 253.803 1.00 0.00 C +ATOM 23 CA GLY A 23 299.871 279.784 252.623 1.00 0.00 C +ATOM 24 CA ALA A 24 299.541 277.119 249.919 1.00 0.00 C +ATOM 25 CA LEU A 25 298.869 273.748 251.561 1.00 0.00 C +ATOM 26 CA ASP A 26 301.792 272.147 253.408 1.00 0.00 C +ATOM 27 CA ASP A 27 301.024 268.438 253.819 1.00 0.00 C +ATOM 28 CA GLY A 28 300.600 266.940 250.341 1.00 0.00 C +ATOM 29 CA PRO A 29 300.635 264.215 247.679 1.00 0.00 C +ATOM 30 CA TYR A 30 297.130 264.120 246.188 1.00 0.00 C +ATOM 31 CA ALA A 31 294.303 266.514 247.077 1.00 0.00 C +ATOM 32 CA PRO A 32 293.378 269.793 245.371 1.00 0.00 C +ATOM 33 CA PHE A 33 291.067 270.396 242.402 1.00 0.00 C +ATOM 34 CA PRO A 34 291.327 271.342 238.721 1.00 0.00 C +ATOM 35 CA PRO A 35 290.645 270.487 235.071 1.00 0.00 C +ATOM 36 CA ARG A 36 290.172 272.262 231.733 1.00 0.00 C +ATOM 37 CA PRO A 37 287.519 274.959 231.278 1.00 0.00 C +ATOM 38 CA ARG A 38 283.910 275.637 230.262 1.00 0.00 C +ATOM 39 CA PHE A 39 282.044 276.876 227.181 1.00 0.00 C +ATOM 40 CA ARG A 40 280.075 276.094 224.014 1.00 0.00 C +ATOM 41 CA ARG A 41 279.066 273.105 221.877 1.00 0.00 C +ATOM 42 CA ALA A 42 279.940 269.399 221.995 1.00 0.00 C +ATOM 43 CA LEU A 43 283.618 268.876 222.843 1.00 0.00 C +ATOM 44 CA ARG A 44 286.529 266.421 222.950 1.00 0.00 C +ATOM 45 CA THR A 45 289.003 267.758 225.522 1.00 0.00 C +ATOM 46 CA ASP A 46 292.330 266.106 224.675 1.00 0.00 C +ATOM 47 CA PRO A 47 295.310 264.725 226.606 1.00 0.00 C +ATOM 48 CA GLU A 48 296.465 261.095 226.646 1.00 0.00 C +ATOM 49 CA GLY A 49 296.948 259.776 230.188 1.00 0.00 C +ATOM 50 CA VAL A 50 298.570 262.659 232.078 1.00 0.00 C +ATOM 51 CA ASP A 51 301.096 262.896 234.920 1.00 0.00 C +ATOM 52 CA PRO A 52 303.630 261.767 237.531 1.00 0.00 C +ATOM 53 CA ASP A 53 303.892 258.035 238.250 1.00 0.00 C +ATOM 54 CA VAL A 54 300.708 256.555 239.730 1.00 0.00 C +ATOM 55 CA ARG A 55 296.958 256.816 239.109 1.00 0.00 C +ATOM 56 CA ALA A 56 293.695 255.099 238.149 1.00 0.00 C +ATOM 57 CA PRO A 57 290.963 254.939 240.800 1.00 0.00 C +ATOM 58 CA ARG A 58 290.667 255.081 244.596 1.00 0.00 C +ATOM 59 CA THR A 59 293.674 254.985 246.934 1.00 0.00 C +ATOM 60 CA GLY A 60 292.971 254.917 250.678 1.00 0.00 C +ATOM 61 CA ARG A 61 292.022 252.759 253.671 1.00 0.00 C +ATOM 62 CA ARG A 62 292.129 249.062 252.756 1.00 0.00 C +ATOM 63 CA LEU A 63 291.617 246.516 255.543 1.00 0.00 C +ATOM 64 CA MET A 64 289.396 243.699 254.259 1.00 0.00 C +ATOM 65 CA ALA A 65 288.594 242.266 250.820 1.00 0.00 C +ATOM 66 CA LEU A 66 289.746 242.904 247.245 1.00 0.00 C +ATOM 67 CA THR A 67 288.034 243.032 243.844 1.00 0.00 C +ATOM 68 CA GLU A 68 286.108 239.750 243.645 1.00 0.00 C +ATOM 69 CA ASP A 69 283.747 236.944 244.678 1.00 0.00 C +ATOM 70 CA ALA A 70 281.190 234.120 244.632 1.00 0.00 C +ATOM 71 CA SER A 71 278.776 231.185 244.900 1.00 0.00 C +ATOM 72 CA SER A 72 278.825 228.692 247.781 1.00 0.00 C +ATOM 73 CA ASP A 73 275.173 228.170 248.732 1.00 0.00 C +ATOM 74 CA SER A 74 274.013 228.833 252.300 1.00 0.00 C +ATOM 75 CA PRO A 75 271.473 228.260 255.081 1.00 0.00 C +ATOM 76 CA THR A 76 272.765 227.455 258.574 1.00 0.00 C +ATOM 77 CA SER A 77 274.670 229.381 261.253 1.00 0.00 C +ATOM 78 CA ALA A 78 277.908 228.301 262.946 1.00 0.00 C +ATOM 79 CA PRO A 79 278.582 226.944 266.442 1.00 0.00 C +ATOM 80 CA GLU A 80 277.039 224.379 268.799 1.00 0.00 C +ATOM 81 CA LYS A 81 275.198 226.479 271.391 1.00 0.00 C +ATOM 82 CA THR A 82 272.809 227.072 274.299 1.00 0.00 C +ATOM 83 CA PRO A 83 270.470 230.001 274.982 1.00 0.00 C +ATOM 84 CA LEU A 84 267.136 229.226 273.309 1.00 0.00 C +ATOM 85 CA PRO A 85 265.761 231.392 270.493 1.00 0.00 C +ATOM 86 CA VAL A 86 262.258 232.538 269.527 1.00 0.00 C +ATOM 87 CA SER A 87 262.105 235.464 267.092 1.00 0.00 C +ATOM 88 CA ALA A 88 260.947 238.261 264.779 1.00 0.00 C +ATOM 89 CA THR A 89 260.564 239.146 261.093 1.00 0.00 C +ATOM 90 CA ALA A 90 263.141 238.792 258.308 1.00 0.00 C +ATOM 91 CA MET A 91 266.344 239.888 256.562 1.00 0.00 C +ATOM 92 CA ALA A 92 265.274 240.886 253.044 1.00 0.00 C +ATOM 93 CA PRO A 93 261.591 241.771 252.637 1.00 0.00 C +ATOM 94 CA SER A 94 259.441 243.963 254.893 1.00 0.00 C +ATOM 95 CA VAL A 95 256.129 242.303 255.786 1.00 0.00 C +ATOM 96 CA ASP A 96 252.789 240.856 254.661 1.00 0.00 C +ATOM 97 CA PRO A 97 249.720 242.737 253.412 1.00 0.00 C +ATOM 98 CA SER A 98 249.703 245.873 251.249 1.00 0.00 C +ATOM 99 CA ALA A 99 249.049 248.853 253.531 1.00 0.00 C +ATOM 100 CA GLU A 100 249.684 251.203 256.462 1.00 0.00 C +ATOM 101 CA PRO A 101 250.059 251.492 260.243 1.00 0.00 C +ATOM 102 CA THR A 102 246.910 250.408 262.094 1.00 0.00 C +ATOM 103 CA ALA A 103 243.186 251.128 262.457 1.00 0.00 C +ATOM 104 CA PRO A 104 242.217 251.056 266.141 1.00 0.00 C +ATOM 105 CA ALA A 105 240.607 253.777 268.267 1.00 0.00 C +ATOM 106 CA THR A 106 237.857 256.103 267.027 1.00 0.00 C +ATOM 107 CA THR A 107 234.272 254.911 266.532 1.00 0.00 C +ATOM 108 CA THR A 108 231.753 255.536 269.321 1.00 0.00 C +ATOM 109 CA PRO A 109 231.668 252.940 272.110 1.00 0.00 C +ATOM 110 CA PRO A 110 229.890 249.580 272.358 1.00 0.00 C +ATOM 111 CA ASP A 111 229.256 248.320 268.818 1.00 0.00 C +ATOM 112 CA GLU A 112 226.033 248.987 266.899 1.00 0.00 C +ATOM 113 CA MET A 113 222.755 249.127 264.962 1.00 0.00 C +ATOM 114 CA THR A 114 219.175 249.921 265.995 1.00 0.00 C +ATOM 115 CA THR A 115 217.523 253.264 266.775 1.00 0.00 C +ATOM 116 CA GLN A 116 215.004 253.842 263.976 1.00 0.00 C +ATOM 117 CA ALA A 117 214.806 256.688 261.451 1.00 0.00 C +ATOM 118 CA ALA A 118 217.416 257.452 258.783 1.00 0.00 C +ATOM 119 CA THR A 119 220.282 256.736 256.375 1.00 0.00 C +ATOM 120 CA VAL A 120 223.536 257.827 254.721 1.00 0.00 C +ATOM 121 CA ALA A 121 227.072 257.030 255.894 1.00 0.00 C +ATOM 122 CA VAL A 122 229.274 254.709 253.825 1.00 0.00 C +ATOM 123 CA THR A 123 232.139 253.248 251.782 1.00 0.00 C +ATOM 124 CA PRO A 124 233.118 253.034 248.106 1.00 0.00 C +ATOM 125 CA GLU A 125 236.317 252.017 246.304 1.00 0.00 C +ATOM 126 CA GLU A 126 238.409 249.134 247.656 1.00 0.00 C +ATOM 127 CA THR A 127 240.009 245.836 248.694 1.00 0.00 C +ATOM 128 CA ALA A 128 242.760 243.212 248.438 1.00 0.00 C +ATOM 129 CA VAL A 129 243.731 239.880 246.866 1.00 0.00 C +ATOM 130 CA ALA A 130 242.112 236.545 245.987 1.00 0.00 C +ATOM 131 CA SER A 131 239.626 233.781 246.818 1.00 0.00 C +ATOM 132 CA PRO A 132 237.906 230.477 246.015 1.00 0.00 C +ATOM 133 CA PRO A 133 234.639 228.526 246.210 1.00 0.00 C +ATOM 134 CA ALA A 134 232.350 228.019 243.207 1.00 0.00 C +ATOM 135 CA THR A 135 228.749 228.708 244.244 1.00 0.00 C +ATOM 136 CA ALA A 136 228.490 227.870 247.952 1.00 0.00 C +ATOM 137 CA SER A 137 230.151 226.060 250.864 1.00 0.00 C +ATOM 138 CA VAL A 138 229.867 225.740 254.650 1.00 0.00 C +ATOM 139 CA GLU A 139 230.161 223.676 257.839 1.00 0.00 C +ATOM 140 CA SER A 140 230.602 220.875 260.384 1.00 0.00 C +ATOM 141 CA SER A 141 228.171 218.691 262.342 1.00 0.00 C +ATOM 142 CA PRO A 142 226.446 216.819 265.177 1.00 0.00 C +ATOM 143 CA LEU A 143 223.528 214.440 264.594 1.00 0.00 C +ATOM 144 CA PRO A 144 220.110 215.596 263.369 1.00 0.00 C +ATOM 145 CA ALA A 145 219.341 218.568 261.114 1.00 0.00 C +ATOM 146 CA ALA A 146 216.729 220.635 259.263 1.00 0.00 C +ATOM 147 CA ALA A 147 216.907 224.406 259.779 1.00 0.00 C +ATOM 148 CA ALA A 148 213.894 226.712 259.432 1.00 0.00 C +ATOM 149 CA THR A 149 211.002 225.324 257.375 1.00 0.00 C +ATOM 150 CA PRO A 150 208.669 222.459 256.446 1.00 0.00 C +ATOM 151 CA GLY A 151 207.563 220.142 253.631 1.00 0.00 C +ATOM 152 CA ALA A 152 203.923 219.017 253.614 1.00 0.00 C +ATOM 153 CA GLY A 153 201.388 218.247 256.352 1.00 0.00 C +ATOM 154 CA HIS A 154 197.850 219.564 256.872 1.00 0.00 C +ATOM 155 CA THR A 155 196.029 219.322 253.534 1.00 0.00 C +ATOM 156 CA ASN A 156 195.910 221.725 250.580 1.00 0.00 C +ATOM 157 CA THR A 157 196.020 220.307 247.046 1.00 0.00 C +ATOM 158 CA SER A 158 199.479 219.700 245.566 1.00 0.00 C +ATOM 159 CA SER A 159 203.254 219.312 245.897 1.00 0.00 C +ATOM 160 CA ALA A 160 205.141 222.611 245.625 1.00 0.00 C +ATOM 161 CA PRO A 161 207.058 225.237 247.610 1.00 0.00 C +ATOM 162 CA ALA A 162 210.807 225.700 247.109 1.00 0.00 C +ATOM 163 CA ALA A 163 211.283 227.988 244.099 1.00 0.00 C +ATOM 164 CA LYS A 164 212.793 231.480 244.288 1.00 0.00 C +ATOM 165 CA THR A 165 214.434 234.175 246.424 1.00 0.00 C +ATOM 166 CA PRO A 166 218.045 235.300 246.884 1.00 0.00 C +ATOM 167 CA PRO A 167 221.787 235.702 246.288 1.00 0.00 C +ATOM 168 CA THR A 168 223.259 239.177 245.764 1.00 0.00 C +ATOM 169 CA THR A 169 225.464 239.178 242.656 1.00 0.00 C +ATOM 170 CA PRO A 170 225.112 239.574 238.883 1.00 0.00 C +ATOM 171 CA ALA A 171 223.333 240.776 235.736 1.00 0.00 C +ATOM 172 CA PRO A 172 225.444 243.467 234.058 1.00 0.00 C +ATOM 173 CA THR A 173 224.002 246.637 232.513 1.00 0.00 C +ATOM 174 CA THR A 174 220.212 246.987 232.329 1.00 0.00 C +ATOM 175 CA PRO A 175 217.222 249.037 233.501 1.00 0.00 C +ATOM 176 CA PRO A 176 213.967 247.065 233.672 1.00 0.00 C +ATOM 177 CA PRO A 177 210.997 246.961 236.055 1.00 0.00 C +ATOM 178 CA THR A 178 209.648 248.970 238.998 1.00 0.00 C +ATOM 179 CA SER A 179 210.200 252.202 240.939 1.00 0.00 C +ATOM 180 CA THR A 180 207.125 254.320 241.695 1.00 0.00 C +ATOM 181 CA HIS A 181 203.685 252.689 241.538 1.00 0.00 C +ATOM 182 CA ALA A 182 201.710 249.573 240.588 1.00 0.00 C +ATOM 183 CA THR A 183 200.131 248.099 243.727 1.00 0.00 C +ATOM 184 CA PRO A 184 196.856 248.638 245.597 1.00 0.00 C +ATOM 185 CA ARG A 185 194.224 251.376 245.291 1.00 0.00 C +ATOM 186 CA PRO A 186 195.383 254.799 244.085 1.00 0.00 C +ATOM 187 CA THR A 187 197.561 257.539 245.590 1.00 0.00 C +ATOM 188 CA THR A 188 201.369 257.504 245.728 1.00 0.00 C +ATOM 189 CA PRO A 189 204.584 256.727 247.618 1.00 0.00 C +ATOM 190 CA GLY A 190 203.499 254.971 250.820 1.00 0.00 C +ATOM 191 CA PRO A 191 206.388 254.125 253.156 1.00 0.00 C +ATOM 192 CA GLN A 192 209.870 254.325 251.623 1.00 0.00 C +ATOM 193 CA THR A 193 212.095 251.342 252.440 1.00 0.00 C +ATOM 194 CA THR A 194 214.959 250.851 249.975 1.00 0.00 C +ATOM 195 CA PRO A 195 215.755 247.625 248.111 1.00 0.00 C +ATOM 196 CA PRO A 196 219.402 246.558 248.394 1.00 0.00 C +ATOM 197 CA GLY A 197 223.062 245.823 247.633 1.00 0.00 C +ATOM 198 CA PRO A 198 226.277 245.383 245.637 1.00 0.00 C +ATOM 199 CA ALA A 199 229.920 245.341 244.520 1.00 0.00 C +ATOM 200 CA THR A 200 233.567 244.902 245.530 1.00 0.00 C +ATOM 201 CA PRO A 201 235.725 241.973 246.663 1.00 0.00 C +ATOM 202 CA GLY A 202 234.228 238.543 247.378 1.00 0.00 C +ATOM 203 CA PRO A 203 231.203 236.625 246.078 1.00 0.00 C +ATOM 204 CA VAL A 204 228.798 235.279 248.709 1.00 0.00 C +TER 205 VAL A 204 +END diff --git a/Viruses/Q0GYC4/Q0GYC4.dcd b/Viruses/Q0GYC4/Q0GYC4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..fce7c316f5bdcf1b1b7903f9ccb0c081cf3c3d36 --- /dev/null +++ b/Viruses/Q0GYC4/Q0GYC4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d10a7019d0f5ec75cb5a2f173129c9d3ebfbdb5c0063889b05d351ee678e8cf6 +size 7400276 diff --git a/Viruses/Q0GYC4/top.pdb b/Viruses/Q0GYC4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..67c56ddbb55694bbf80100e46787923d610b768f --- /dev/null +++ b/Viruses/Q0GYC4/top.pdb @@ -0,0 +1,59 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 271.846 263.864 242.383 1.00 0.00 C +ATOM 2 CA VAL A 2 271.491 267.530 243.357 1.00 0.00 C +ATOM 3 CA TYR A 3 273.811 270.493 243.956 1.00 0.00 C +ATOM 4 CA ARG A 4 272.440 273.688 242.397 1.00 0.00 C +ATOM 5 CA ARG A 5 269.350 274.953 240.562 1.00 0.00 C +ATOM 6 CA ARG A 6 266.340 272.706 239.924 1.00 0.00 C +ATOM 7 CA ARG A 7 267.389 269.319 238.530 1.00 0.00 C +ATOM 8 CA ARG A 8 265.553 266.477 240.281 1.00 0.00 C +ATOM 9 CA SER A 9 263.155 264.357 238.213 1.00 0.00 C +ATOM 10 CA SER A 10 260.523 262.323 240.071 1.00 0.00 C +ATOM 11 CA THR A 11 257.088 260.713 239.723 1.00 0.00 C +ATOM 12 CA GLY A 12 254.449 260.768 236.975 1.00 0.00 C +ATOM 13 CA THR A 13 255.894 262.797 234.092 1.00 0.00 C +ATOM 14 CA THR A 14 255.419 265.461 231.410 1.00 0.00 C +ATOM 15 CA TYR A 15 253.965 268.983 231.399 1.00 0.00 C +ATOM 16 CA GLY A 16 253.287 269.902 235.034 1.00 0.00 C +ATOM 17 CA SER A 17 250.159 269.166 237.081 1.00 0.00 C +ATOM 18 CA THR A 18 249.341 265.471 237.522 1.00 0.00 C +ATOM 19 CA ARG A 19 248.909 262.967 240.361 1.00 0.00 C +ATOM 20 CA ARG A 20 246.802 260.168 238.863 1.00 0.00 C +ATOM 21 CA ARG A 21 244.933 257.574 240.936 1.00 0.00 C +ATOM 22 CA ARG A 22 247.000 254.384 241.204 1.00 0.00 C +ATOM 23 CA SER A 23 245.783 251.929 243.852 1.00 0.00 C +ATOM 24 CA SER A 24 242.311 251.818 245.418 1.00 0.00 C +ATOM 25 CA GLY A 25 240.256 249.444 243.260 1.00 0.00 C +ATOM 26 CA TYR A 26 238.933 245.905 242.772 1.00 0.00 C +ATOM 27 CA ARG A 27 238.228 243.098 240.294 1.00 0.00 C +ATOM 28 CA ARG A 28 236.166 239.984 241.043 1.00 0.00 C +ATOM 29 CA ARG A 29 236.976 237.700 243.983 1.00 0.00 C +ATOM 30 CA PRO A 30 239.742 235.547 245.477 1.00 0.00 C +ATOM 31 CA GLY A 31 240.748 234.925 249.099 1.00 0.00 C +ATOM 32 CA ARG A 32 238.056 235.028 251.794 1.00 0.00 C +ATOM 33 CA PRO A 33 235.925 234.056 254.799 1.00 0.00 C +ATOM 34 CA ARG A 34 238.097 231.724 256.889 1.00 0.00 C +ATOM 35 CA THR A 35 241.730 232.636 256.196 1.00 0.00 C +ATOM 36 CA TYR A 36 244.893 234.516 255.205 1.00 0.00 C +ATOM 37 CA ARG A 37 246.336 236.558 258.080 1.00 0.00 C +ATOM 38 CA ARG A 38 249.795 238.154 258.074 1.00 0.00 C +ATOM 39 CA SER A 39 251.042 240.776 255.607 1.00 0.00 C +ATOM 40 CA ARG A 40 254.839 241.070 255.718 1.00 0.00 C +ATOM 41 CA SER A 41 257.232 240.479 258.623 1.00 0.00 C +ATOM 42 CA ARG A 42 257.845 238.552 261.852 1.00 0.00 C +ATOM 43 CA SER A 43 256.058 235.222 261.368 1.00 0.00 C +ATOM 44 CA SER A 44 253.766 234.209 264.238 1.00 0.00 C +ATOM 45 CA THR A 45 250.533 232.430 265.188 1.00 0.00 C +ATOM 46 CA GLY A 46 248.733 231.616 268.446 1.00 0.00 C +ATOM 47 CA ARG A 47 245.350 230.988 270.081 1.00 0.00 C +ATOM 48 CA ARG A 48 243.662 234.402 270.200 1.00 0.00 C +ATOM 49 CA SER A 49 240.664 236.430 269.011 1.00 0.00 C +ATOM 50 CA TYR A 50 239.383 239.722 267.584 1.00 0.00 C +ATOM 51 CA ARG A 51 237.132 242.327 269.217 1.00 0.00 C +ATOM 52 CA THR A 52 236.057 245.643 267.679 1.00 0.00 C +ATOM 53 CA ARG A 53 239.080 247.521 266.318 1.00 0.00 C +ATOM 54 CA TYR A 54 241.606 249.448 268.421 1.00 0.00 C +ATOM 55 CA TYR A 55 243.901 252.083 269.939 1.00 0.00 C +TER 56 TYR A 55 +END diff --git a/Viruses/Q0IL14/Q0IL14.dcd b/Viruses/Q0IL14/Q0IL14.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d09949c794a2dd3d3f3eeb4cd6715bbd2a35a844 --- /dev/null +++ b/Viruses/Q0IL14/Q0IL14.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:772bd12376d27f3f6afc85e000d64a3538b16f1d73d756a9d6b176261e5e0684 +size 14360276 diff --git a/Viruses/Q0IL14/top.pdb b/Viruses/Q0IL14/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..811374715022e045bf4c3580059285d605a4deff --- /dev/null +++ b/Viruses/Q0IL14/top.pdb @@ -0,0 +1,117 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 207.603 273.361 211.223 1.00 0.00 C +ATOM 2 CA VAL A 2 207.166 269.658 210.439 1.00 0.00 C +ATOM 3 CA MET A 3 207.118 265.924 209.687 1.00 0.00 C +ATOM 4 CA ARG A 4 207.379 263.598 212.693 1.00 0.00 C +ATOM 5 CA ARG A 5 210.281 261.404 213.825 1.00 0.00 C +ATOM 6 CA ARG A 6 210.340 259.018 216.794 1.00 0.00 C +ATOM 7 CA SER A 7 212.919 256.335 215.975 1.00 0.00 C +ATOM 8 CA SER A 8 214.506 254.301 213.172 1.00 0.00 C +ATOM 9 CA SER A 9 215.418 252.159 210.156 1.00 0.00 C +ATOM 10 CA GLY A 10 218.197 253.162 207.751 1.00 0.00 C +ATOM 11 CA GLY A 11 219.788 251.938 204.513 1.00 0.00 C +ATOM 12 CA ARG A 12 218.561 248.771 202.787 1.00 0.00 C +ATOM 13 CA VAL A 13 216.682 246.037 200.913 1.00 0.00 C +ATOM 14 CA ARG A 14 215.493 242.768 202.466 1.00 0.00 C +ATOM 15 CA ARG A 15 217.182 241.287 205.544 1.00 0.00 C +ATOM 16 CA ARG A 16 219.258 238.097 205.374 1.00 0.00 C +ATOM 17 CA SER A 17 223.017 238.701 205.223 1.00 0.00 C +ATOM 18 CA SER A 18 225.721 240.767 206.937 1.00 0.00 C +ATOM 19 CA ALA A 19 225.902 243.035 209.992 1.00 0.00 C +ATOM 20 CA GLY A 20 225.025 244.556 213.374 1.00 0.00 C +ATOM 21 CA ARG A 21 223.066 246.704 215.836 1.00 0.00 C +ATOM 22 CA ARG A 22 223.677 250.324 216.857 1.00 0.00 C +ATOM 23 CA ARG A 23 221.247 252.213 219.103 1.00 0.00 C +ATOM 24 CA SER A 24 221.490 250.414 222.453 1.00 0.00 C +ATOM 25 CA SER A 25 221.053 246.706 221.693 1.00 0.00 C +ATOM 26 CA ALA A 26 224.094 244.731 222.864 1.00 0.00 C +ATOM 27 CA GLY A 27 227.334 245.283 224.791 1.00 0.00 C +ATOM 28 CA ARG A 28 230.767 243.668 225.133 1.00 0.00 C +ATOM 29 CA ARG A 29 234.574 243.770 225.017 1.00 0.00 C +ATOM 30 CA ARG A 30 237.135 244.109 227.818 1.00 0.00 C +ATOM 31 CA SER A 31 236.908 245.813 231.218 1.00 0.00 C +ATOM 32 CA SER A 32 233.430 244.921 232.491 1.00 0.00 C +ATOM 33 CA GLY A 33 233.661 242.093 235.034 1.00 0.00 C +ATOM 34 CA GLY A 34 237.402 241.498 235.440 1.00 0.00 C +ATOM 35 CA ARG A 35 239.036 239.260 232.825 1.00 0.00 C +ATOM 36 CA ARG A 36 242.103 237.728 234.486 1.00 0.00 C +ATOM 37 CA ARG A 37 245.723 238.918 234.467 1.00 0.00 C +ATOM 38 CA ARG A 38 246.421 242.100 236.443 1.00 0.00 C +ATOM 39 CA VAL A 39 247.537 244.795 238.894 1.00 0.00 C +ATOM 40 CA GLY A 40 251.308 245.156 239.298 1.00 0.00 C +ATOM 41 CA ARG A 41 253.803 242.287 239.050 1.00 0.00 C +ATOM 42 CA PRO A 42 252.522 238.804 238.190 1.00 0.00 C +ATOM 43 CA ARG A 43 249.721 237.903 240.610 1.00 0.00 C +ATOM 44 CA GLY A 44 248.058 234.641 241.665 1.00 0.00 C +ATOM 45 CA SER A 45 244.970 234.043 243.816 1.00 0.00 C +ATOM 46 CA THR A 46 244.052 232.429 247.142 1.00 0.00 C +ATOM 47 CA THR A 47 243.613 234.996 249.923 1.00 0.00 C +ATOM 48 CA ARG A 48 244.370 238.631 249.072 1.00 0.00 C +ATOM 49 CA ARG A 49 246.516 239.686 246.106 1.00 0.00 C +ATOM 50 CA ARG A 50 249.898 240.665 247.560 1.00 0.00 C +ATOM 51 CA ARG A 51 251.179 243.095 250.201 1.00 0.00 C +ATOM 52 CA SER A 52 252.540 242.223 253.651 1.00 0.00 C +ATOM 53 CA SER A 53 255.001 239.386 254.289 1.00 0.00 C +ATOM 54 CA ALA A 54 257.523 240.134 257.046 1.00 0.00 C +ATOM 55 CA TYR A 55 260.386 241.170 259.335 1.00 0.00 C +ATOM 56 CA ARG A 56 263.442 243.423 259.012 1.00 0.00 C +ATOM 57 CA ARG A 57 267.237 243.344 259.343 1.00 0.00 C +ATOM 58 CA ARG A 58 270.139 241.425 257.789 1.00 0.00 C +ATOM 59 CA SER A 59 271.723 242.484 254.490 1.00 0.00 C +ATOM 60 CA SER A 60 274.290 244.371 252.401 1.00 0.00 C +ATOM 61 CA SER A 61 277.772 243.486 251.132 1.00 0.00 C +ATOM 62 CA GLY A 62 281.007 244.441 249.360 1.00 0.00 C +ATOM 63 CA GLY A 63 281.383 248.231 249.250 1.00 0.00 C +ATOM 64 CA VAL A 64 281.239 252.025 249.567 1.00 0.00 C +ATOM 65 CA ARG A 65 283.494 253.989 251.927 1.00 0.00 C +ATOM 66 CA ARG A 66 286.571 255.567 253.527 1.00 0.00 C +ATOM 67 CA ARG A 67 290.174 254.384 253.157 1.00 0.00 C +ATOM 68 CA ARG A 68 291.642 253.395 256.531 1.00 0.00 C +ATOM 69 CA ARG A 69 289.998 255.766 259.019 1.00 0.00 C +ATOM 70 CA SER A 70 286.607 257.485 259.267 1.00 0.00 C +ATOM 71 CA SER A 71 284.296 257.459 262.296 1.00 0.00 C +ATOM 72 CA ALA A 72 281.803 257.509 265.176 1.00 0.00 C +ATOM 73 CA GLY A 73 281.124 255.424 268.292 1.00 0.00 C +ATOM 74 CA GLY A 74 282.010 257.283 271.497 1.00 0.00 C +ATOM 75 CA ARG A 75 280.102 259.413 274.015 1.00 0.00 C +ATOM 76 CA ARG A 76 276.572 260.846 274.016 1.00 0.00 C +ATOM 77 CA ARG A 77 272.796 260.422 274.304 1.00 0.00 C +ATOM 78 CA SER A 78 272.139 256.690 274.694 1.00 0.00 C +ATOM 79 CA SER A 79 274.224 253.813 273.316 1.00 0.00 C +ATOM 80 CA ARG A 80 271.708 251.630 271.466 1.00 0.00 C +ATOM 81 CA GLY A 81 268.183 250.204 271.224 1.00 0.00 C +ATOM 82 CA ARG A 82 266.160 247.679 273.235 1.00 0.00 C +ATOM 83 CA ARG A 83 263.460 246.932 275.817 1.00 0.00 C +ATOM 84 CA ARG A 84 261.605 244.689 278.276 1.00 0.00 C +ATOM 85 CA SER A 85 261.720 243.483 281.888 1.00 0.00 C +ATOM 86 CA SER A 86 263.702 245.667 284.300 1.00 0.00 C +ATOM 87 CA ARG A 87 262.061 247.732 287.050 1.00 0.00 C +ATOM 88 CA GLY A 88 259.433 248.925 289.538 1.00 0.00 C +ATOM 89 CA ARG A 89 257.048 251.895 289.469 1.00 0.00 C +ATOM 90 CA ARG A 90 256.269 255.529 288.629 1.00 0.00 C +ATOM 91 CA ARG A 91 258.641 257.868 290.479 1.00 0.00 C +ATOM 92 CA SER A 92 258.693 261.588 289.656 1.00 0.00 C +ATOM 93 CA SER A 93 260.595 263.750 287.162 1.00 0.00 C +ATOM 94 CA ALA A 94 263.920 265.570 286.781 1.00 0.00 C +ATOM 95 CA GLY A 95 267.474 264.644 287.796 1.00 0.00 C +ATOM 96 CA GLY A 96 268.987 261.157 287.547 1.00 0.00 C +ATOM 97 CA ARG A 97 269.919 259.703 284.151 1.00 0.00 C +ATOM 98 CA ARG A 98 268.440 258.561 280.831 1.00 0.00 C +ATOM 99 CA ARG A 99 267.006 255.056 280.410 1.00 0.00 C +ATOM 100 CA SER A 100 263.807 254.749 282.457 1.00 0.00 C +ATOM 101 CA GLY A 101 260.572 252.738 282.520 1.00 0.00 C +ATOM 102 CA HIS A 102 257.014 251.376 282.506 1.00 0.00 C +ATOM 103 CA TYR A 103 255.192 250.515 279.273 1.00 0.00 C +ATOM 104 CA ASN A 104 255.857 252.761 276.268 1.00 0.00 C +ATOM 105 CA PRO A 105 256.133 253.876 272.635 1.00 0.00 C +ATOM 106 CA TYR A 106 254.287 256.034 270.095 1.00 0.00 C +ATOM 107 CA GLY A 107 250.831 254.629 269.323 1.00 0.00 C +ATOM 108 CA TYR A 108 247.654 256.723 269.516 1.00 0.00 C +ATOM 109 CA THR A 109 247.666 258.311 272.979 1.00 0.00 C +ATOM 110 CA HIS A 110 245.879 259.526 276.117 1.00 0.00 C +ATOM 111 CA ARG A 111 243.998 262.832 276.332 1.00 0.00 C +ATOM 112 CA MET A 112 243.673 266.599 275.864 1.00 0.00 C +ATOM 113 CA TYR A 113 240.952 269.216 276.380 1.00 0.00 C +TER 114 TYR A 113 +END diff --git a/Viruses/Q0IL90/Q0IL90.dcd b/Viruses/Q0IL90/Q0IL90.dcd new file mode 100644 index 0000000000000000000000000000000000000000..5b35597402d56873cf97f6fdfa5bc5a684b9494d --- /dev/null +++ b/Viruses/Q0IL90/Q0IL90.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6c3f4a821c7e5efeb8c4417e62546dc17f61d49c1e1bf21eba7628a03e1ba764 +size 11000276 diff --git a/Viruses/Q0IL90/top.pdb b/Viruses/Q0IL90/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4262c1b81eab32897174ed2b0d3a4196b93a8308 --- /dev/null +++ b/Viruses/Q0IL90/top.pdb @@ -0,0 +1,89 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 275.166 247.874 251.960 1.00 0.00 C +ATOM 2 CA ARG A 2 273.016 251.002 251.634 1.00 0.00 C +ATOM 3 CA PRO A 3 270.074 252.511 253.526 1.00 0.00 C +ATOM 4 CA ARG A 4 270.501 255.234 256.157 1.00 0.00 C +ATOM 5 CA LEU A 5 269.762 255.298 259.894 1.00 0.00 C +ATOM 6 CA ASP A 6 269.834 254.291 263.568 1.00 0.00 C +ATOM 7 CA VAL A 7 267.990 253.577 266.825 1.00 0.00 C +ATOM 8 CA ARG A 8 264.673 251.824 266.165 1.00 0.00 C +ATOM 9 CA VAL A 9 260.953 251.379 266.861 1.00 0.00 C +ATOM 10 CA PHE A 10 257.969 252.497 268.949 1.00 0.00 C +ATOM 11 CA LEU A 11 254.955 252.542 266.619 1.00 0.00 C +ATOM 12 CA GLY A 12 252.932 250.544 264.084 1.00 0.00 C +ATOM 13 CA PRO A 13 251.040 249.647 260.900 1.00 0.00 C +ATOM 14 CA THR A 14 249.318 248.338 257.765 1.00 0.00 C +ATOM 15 CA HIS A 15 247.086 247.430 254.813 1.00 0.00 C +ATOM 16 CA ASN A 16 246.104 243.804 255.444 1.00 0.00 C +ATOM 17 CA GLY A 17 244.117 242.454 258.402 1.00 0.00 C +ATOM 18 CA GLN A 18 243.924 238.699 257.784 1.00 0.00 C +ATOM 19 CA GLU A 19 240.677 237.058 258.917 1.00 0.00 C +ATOM 20 CA GLU A 20 240.364 236.543 262.679 1.00 0.00 C +ATOM 21 CA HIS A 21 243.210 234.359 263.961 1.00 0.00 C +ATOM 22 CA ARG A 22 245.654 231.529 263.228 1.00 0.00 C +ATOM 23 CA THR A 23 248.513 232.042 265.693 1.00 0.00 C +ATOM 24 CA PRO A 24 248.918 232.188 269.479 1.00 0.00 C +ATOM 25 CA THR A 25 249.963 229.840 272.291 1.00 0.00 C +ATOM 26 CA LEU A 26 250.448 226.069 272.046 1.00 0.00 C +ATOM 27 CA GLY A 27 252.650 223.311 273.483 1.00 0.00 C +ATOM 28 CA HIS A 28 255.738 224.156 275.547 1.00 0.00 C +ATOM 29 CA ASN A 29 258.244 226.571 273.995 1.00 0.00 C +ATOM 30 CA GLY A 30 258.353 230.329 273.372 1.00 0.00 C +ATOM 31 CA GLY A 31 259.022 231.338 269.760 1.00 0.00 C +ATOM 32 CA GLU A 32 259.490 233.694 266.803 1.00 0.00 C +ATOM 33 CA ALA A 33 261.651 236.830 266.916 1.00 0.00 C +ATOM 34 CA ALA A 34 261.492 238.768 263.640 1.00 0.00 C +ATOM 35 CA VAL A 35 260.558 236.401 260.805 1.00 0.00 C +ATOM 36 CA GLU A 36 257.787 234.778 258.754 1.00 0.00 C +ATOM 37 CA ARG A 37 256.374 233.361 255.512 1.00 0.00 C +ATOM 38 CA GLN A 38 254.016 233.457 252.520 1.00 0.00 C +ATOM 39 CA ASN A 39 253.587 230.642 249.988 1.00 0.00 C +ATOM 40 CA ARG A 40 255.399 228.463 247.443 1.00 0.00 C +ATOM 41 CA SER A 41 253.674 225.705 245.459 1.00 0.00 C +ATOM 42 CA SER A 42 251.508 226.525 242.434 1.00 0.00 C +ATOM 43 CA ARG A 43 249.355 229.668 242.375 1.00 0.00 C +ATOM 44 CA THR A 44 246.007 229.285 240.599 1.00 0.00 C +ATOM 45 CA ALA A 45 244.628 228.321 237.180 1.00 0.00 C +ATOM 46 CA SER A 46 241.929 230.073 235.140 1.00 0.00 C +ATOM 47 CA GLN A 47 240.407 232.775 237.353 1.00 0.00 C +ATOM 48 CA ASP A 48 241.880 235.309 239.787 1.00 0.00 C +ATOM 49 CA HIS A 49 244.494 235.947 242.484 1.00 0.00 C +ATOM 50 CA GLN A 50 247.472 238.309 242.753 1.00 0.00 C +ATOM 51 CA GLU A 51 248.581 241.651 244.207 1.00 0.00 C +ATOM 52 CA GLN A 52 250.625 244.360 242.475 1.00 0.00 C +ATOM 53 CA ARG A 53 248.449 246.925 240.686 1.00 0.00 C +ATOM 54 CA ARG A 54 250.015 250.330 240.001 1.00 0.00 C +ATOM 55 CA THR A 55 251.928 252.272 242.663 1.00 0.00 C +ATOM 56 CA ASP A 56 251.005 255.955 242.985 1.00 0.00 C +ATOM 57 CA GLN A 57 254.241 257.758 243.871 1.00 0.00 C +ATOM 58 CA HIS A 58 254.649 261.417 242.890 1.00 0.00 C +ATOM 59 CA ARG A 59 252.388 264.239 241.690 1.00 0.00 C +ATOM 60 CA PRO A 60 250.496 267.536 241.952 1.00 0.00 C +ATOM 61 CA SER A 61 248.166 269.390 239.575 1.00 0.00 C +ATOM 62 CA THR A 62 247.805 272.977 238.345 1.00 0.00 C +ATOM 63 CA VAL A 63 249.401 276.433 238.512 1.00 0.00 C +ATOM 64 CA HIS A 64 248.558 280.135 238.199 1.00 0.00 C +ATOM 65 CA ALA A 65 247.190 281.080 241.627 1.00 0.00 C +ATOM 66 CA LYS A 66 244.094 279.023 242.462 1.00 0.00 C +ATOM 67 CA ASN A 67 241.736 276.970 240.284 1.00 0.00 C +ATOM 68 CA ALA A 68 238.115 276.654 241.426 1.00 0.00 C +ATOM 69 CA VAL A 69 235.579 273.924 242.223 1.00 0.00 C +ATOM 70 CA SER A 70 232.965 275.258 244.652 1.00 0.00 C +ATOM 71 CA ARG A 71 229.401 274.169 245.444 1.00 0.00 C +ATOM 72 CA VAL A 72 227.399 275.117 242.344 1.00 0.00 C +ATOM 73 CA ARG A 73 228.584 275.171 238.723 1.00 0.00 C +ATOM 74 CA GLN A 74 231.561 273.020 237.710 1.00 0.00 C +ATOM 75 CA GLN A 75 234.563 274.716 236.088 1.00 0.00 C +ATOM 76 CA LYS A 76 237.635 272.466 236.208 1.00 0.00 C +ATOM 77 CA LEU A 77 241.370 272.621 235.475 1.00 0.00 C +ATOM 78 CA LEU A 78 243.090 272.385 232.084 1.00 0.00 C +ATOM 79 CA SER A 79 243.158 271.812 228.318 1.00 0.00 C +ATOM 80 CA GLU A 80 245.813 269.298 227.249 1.00 0.00 C +ATOM 81 CA THR A 81 246.280 265.517 227.175 1.00 0.00 C +ATOM 82 CA LEU A 82 247.613 262.163 228.395 1.00 0.00 C +ATOM 83 CA SER A 83 246.647 259.117 230.470 1.00 0.00 C +ATOM 84 CA LYS A 84 249.113 258.865 233.363 1.00 0.00 C +ATOM 85 CA ILE A 85 248.914 256.684 236.480 1.00 0.00 C +TER 86 ILE A 85 +END diff --git a/Viruses/Q0NQ56/Q0NQ56.dcd b/Viruses/Q0NQ56/Q0NQ56.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f8796d052eca1cc94ae857681c360d163fa2c131 --- /dev/null +++ b/Viruses/Q0NQ56/Q0NQ56.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9f7f131967625ed5942ce86802fc6d6cac32dbff7eba9ae546a8adfabad70db4 +size 8600276 diff --git a/Viruses/Q0NQ56/top.pdb b/Viruses/Q0NQ56/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ae850ba27b5d0f442ee5a984a31265425d0da471 --- /dev/null +++ b/Viruses/Q0NQ56/top.pdb @@ -0,0 +1,69 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 258.897 248.982 237.866 1.00 0.00 C +ATOM 2 CA SER A 2 260.009 252.562 237.183 1.00 0.00 C +ATOM 3 CA SER A 3 261.458 256.024 237.838 1.00 0.00 C +ATOM 4 CA LYS A 4 259.669 258.532 240.080 1.00 0.00 C +ATOM 5 CA GLY A 5 257.207 261.148 241.348 1.00 0.00 C +ATOM 6 CA GLY A 6 256.458 263.380 238.353 1.00 0.00 C +ATOM 7 CA SER A 7 258.330 264.243 235.148 1.00 0.00 C +ATOM 8 CA SER A 8 258.459 262.310 231.868 1.00 0.00 C +ATOM 9 CA GLY A 9 261.172 260.418 229.977 1.00 0.00 C +ATOM 10 CA SER A 10 261.706 256.647 229.874 1.00 0.00 C +ATOM 11 CA GLY A 11 262.172 253.018 230.934 1.00 0.00 C +ATOM 12 CA GLY A 12 265.101 250.664 230.303 1.00 0.00 C +ATOM 13 CA MET A 13 266.005 249.663 226.739 1.00 0.00 C +ATOM 14 CA TRP A 14 267.198 246.776 224.558 1.00 0.00 C +ATOM 15 CA SER A 15 269.880 244.235 223.625 1.00 0.00 C +ATOM 16 CA VAL A 16 272.648 243.456 226.124 1.00 0.00 C +ATOM 17 CA PHE A 17 274.716 240.428 227.159 1.00 0.00 C +ATOM 18 CA ILE A 18 276.867 239.491 230.161 1.00 0.00 C +ATOM 19 CA HIS A 19 276.837 237.967 233.653 1.00 0.00 C +ATOM 20 CA GLY A 20 273.166 237.681 234.632 1.00 0.00 C +ATOM 21 CA HIS A 21 272.050 235.243 237.339 1.00 0.00 C +ATOM 22 CA ASP A 22 273.688 235.730 240.744 1.00 0.00 C +ATOM 23 CA GLY A 23 274.407 236.232 244.452 1.00 0.00 C +ATOM 24 CA GLY A 24 275.075 233.519 247.042 1.00 0.00 C +ATOM 25 CA SER A 25 277.896 234.688 249.320 1.00 0.00 C +ATOM 26 CA LYS A 26 277.178 236.947 252.303 1.00 0.00 C +ATOM 27 CA GLY A 27 276.111 235.187 255.509 1.00 0.00 C +ATOM 28 CA SER A 28 276.975 236.840 258.831 1.00 0.00 C +ATOM 29 CA LYS A 29 276.871 238.529 262.245 1.00 0.00 C +ATOM 30 CA THR A 30 274.079 237.893 264.758 1.00 0.00 C +ATOM 31 CA TYR A 31 270.557 238.579 266.040 1.00 0.00 C +ATOM 32 CA THR A 32 267.148 236.928 266.454 1.00 0.00 C +ATOM 33 CA SER A 33 266.624 233.752 268.492 1.00 0.00 C +ATOM 34 CA GLY A 34 263.383 234.291 270.422 1.00 0.00 C +ATOM 35 CA GLY A 35 260.753 232.832 272.760 1.00 0.00 C +ATOM 36 CA GLY A 36 257.217 234.250 272.839 1.00 0.00 C +ATOM 37 CA GLY A 37 253.972 236.142 272.202 1.00 0.00 C +ATOM 38 CA MET A 38 250.522 237.447 271.247 1.00 0.00 C +ATOM 39 CA TRP A 39 249.430 240.779 269.759 1.00 0.00 C +ATOM 40 CA GLY A 40 246.613 243.343 269.850 1.00 0.00 C +ATOM 41 CA GLY A 41 243.411 241.451 270.677 1.00 0.00 C +ATOM 42 CA SER A 42 239.959 242.280 269.294 1.00 0.00 C +ATOM 43 CA SER A 43 240.276 244.234 266.038 1.00 0.00 C +ATOM 44 CA SER A 44 239.349 246.994 263.581 1.00 0.00 C +ATOM 45 CA GLY A 45 237.754 250.363 262.792 1.00 0.00 C +ATOM 46 CA VAL A 46 238.678 252.280 259.632 1.00 0.00 C +ATOM 47 CA LYS A 47 238.176 255.997 260.303 1.00 0.00 C +ATOM 48 CA SER A 48 238.664 258.460 257.438 1.00 0.00 C +ATOM 49 CA GLY A 49 236.741 259.785 254.428 1.00 0.00 C +ATOM 50 CA VAL A 50 233.044 260.351 253.702 1.00 0.00 C +ATOM 51 CA ASN A 51 229.902 258.204 253.496 1.00 0.00 C +ATOM 52 CA GLY A 52 226.247 257.731 252.533 1.00 0.00 C +ATOM 53 CA GLY A 53 223.856 260.496 251.457 1.00 0.00 C +ATOM 54 CA VAL A 54 222.560 261.300 247.966 1.00 0.00 C +ATOM 55 CA ASN A 55 220.481 262.657 245.076 1.00 0.00 C +ATOM 56 CA GLY A 56 217.324 263.992 243.412 1.00 0.00 C +ATOM 57 CA GLY A 57 215.434 266.993 242.021 1.00 0.00 C +ATOM 58 CA VAL A 58 213.785 269.637 244.214 1.00 0.00 C +ATOM 59 CA LYS A 59 213.642 271.271 247.653 1.00 0.00 C +ATOM 60 CA SER A 60 211.551 270.180 250.645 1.00 0.00 C +ATOM 61 CA GLY A 61 208.772 269.238 253.075 1.00 0.00 C +ATOM 62 CA LEU A 62 207.852 269.493 256.764 1.00 0.00 C +ATOM 63 CA GLY A 63 207.628 268.484 260.431 1.00 0.00 C +ATOM 64 CA LYS A 64 204.076 267.218 260.971 1.00 0.00 C +ATOM 65 CA ILE A 65 202.332 264.133 262.369 1.00 0.00 C +TER 66 ILE A 65 +END diff --git a/Viruses/Q0PEK1/Q0PEK1.dcd b/Viruses/Q0PEK1/Q0PEK1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..37ec0cb13faa451ec4b8da0d99f00ad953f1009b --- /dev/null +++ b/Viruses/Q0PEK1/Q0PEK1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bed9dc57296772de8481318df5e814570e39d0347078cdf1f8ddc989271b0c69 +size 10400276 diff --git a/Viruses/Q0PEK1/top.pdb b/Viruses/Q0PEK1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..eca1e5b688fee3a7d997fd759d8c29e7f9907069 --- /dev/null +++ b/Viruses/Q0PEK1/top.pdb @@ -0,0 +1,84 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ARG A 1 231.543 252.522 281.099 1.00 0.00 C +ATOM 2 CA ASN A 2 233.936 254.143 278.616 1.00 0.00 C +ATOM 3 CA ASN A 3 237.402 253.126 279.828 1.00 0.00 C +ATOM 4 CA GLN A 4 240.451 253.682 282.045 1.00 0.00 C +ATOM 5 CA PRO A 5 242.487 256.158 284.104 1.00 0.00 C +ATOM 6 CA PRO A 6 244.267 258.523 281.705 1.00 0.00 C +ATOM 7 CA ARG A 7 244.301 260.658 278.550 1.00 0.00 C +ATOM 8 CA GLN A 8 244.951 264.382 279.029 1.00 0.00 C +ATOM 9 CA GLN A 9 244.114 267.310 276.740 1.00 0.00 C +ATOM 10 CA PRO A 10 242.049 266.078 273.785 1.00 0.00 C +ATOM 11 CA GLN A 11 241.084 265.118 270.227 1.00 0.00 C +ATOM 12 CA ARG A 12 240.723 261.714 268.554 1.00 0.00 C +ATOM 13 CA ARG A 13 238.427 260.917 265.620 1.00 0.00 C +ATOM 14 CA GLN A 14 237.606 257.197 265.681 1.00 0.00 C +ATOM 15 CA GLN A 15 234.890 254.525 265.731 1.00 0.00 C +ATOM 16 CA PRO A 16 231.205 254.665 266.688 1.00 0.00 C +ATOM 17 CA ARG A 17 230.032 257.879 268.365 1.00 0.00 C +ATOM 18 CA ARG A 18 231.551 260.781 266.418 1.00 0.00 C +ATOM 19 CA THR A 19 230.991 262.779 263.223 1.00 0.00 C +ATOM 20 CA GLY A 20 232.539 265.226 260.746 1.00 0.00 C +ATOM 21 CA ASN A 21 236.122 265.634 259.517 1.00 0.00 C +ATOM 22 CA GLN A 22 236.651 264.682 255.866 1.00 0.00 C +ATOM 23 CA GLU A 23 238.640 264.748 252.616 1.00 0.00 C +ATOM 24 CA GLU A 24 238.944 267.972 250.607 1.00 0.00 C +ATOM 25 CA ARG A 25 241.992 269.858 249.317 1.00 0.00 C +ATOM 26 CA GLY A 26 245.535 268.553 249.822 1.00 0.00 C +ATOM 27 CA GLN A 27 248.540 270.509 251.111 1.00 0.00 C +ATOM 28 CA ARG A 28 251.315 268.074 252.051 1.00 0.00 C +ATOM 29 CA ASN A 29 250.195 264.619 250.899 1.00 0.00 C +ATOM 30 CA ARG A 30 248.906 261.676 248.851 1.00 0.00 C +ATOM 31 CA GLY A 31 245.956 259.601 247.623 1.00 0.00 C +ATOM 32 CA ARG A 32 243.441 261.622 245.595 1.00 0.00 C +ATOM 33 CA GLN A 33 239.649 261.296 245.768 1.00 0.00 C +ATOM 34 CA ASN A 34 237.914 262.452 242.579 1.00 0.00 C +ATOM 35 CA ALA A 35 237.241 261.126 239.071 1.00 0.00 C +ATOM 36 CA GLN A 36 237.783 257.913 237.097 1.00 0.00 C +ATOM 37 CA THR A 37 236.997 255.687 234.107 1.00 0.00 C +ATOM 38 CA PRO A 38 239.218 252.627 233.637 1.00 0.00 C +ATOM 39 CA ARG A 39 241.048 249.398 234.500 1.00 0.00 C +ATOM 40 CA GLN A 40 241.836 245.682 234.792 1.00 0.00 C +ATOM 41 CA GLU A 41 241.216 242.872 232.295 1.00 0.00 C +ATOM 42 CA GLY A 42 244.504 240.976 231.974 1.00 0.00 C +ATOM 43 CA ASN A 43 247.751 240.400 230.066 1.00 0.00 C +ATOM 44 CA ARG A 44 248.744 243.659 228.360 1.00 0.00 C +ATOM 45 CA LEU A 45 247.537 247.206 229.048 1.00 0.00 C +ATOM 46 CA GLN A 46 248.708 247.994 232.587 1.00 0.00 C +ATOM 47 CA ASN A 47 248.579 244.718 234.527 1.00 0.00 C +ATOM 48 CA SER A 48 247.530 242.804 237.650 1.00 0.00 C +ATOM 49 CA GLN A 49 245.301 244.592 240.171 1.00 0.00 C +ATOM 50 CA LEU A 50 245.506 248.228 241.289 1.00 0.00 C +ATOM 51 CA PRO A 51 242.446 250.148 242.501 1.00 0.00 C +ATOM 52 CA GLY A 52 241.755 253.389 244.383 1.00 0.00 C +ATOM 53 CA PRO A 53 243.900 253.202 247.526 1.00 0.00 C +ATOM 54 CA ARG A 54 247.384 252.103 248.610 1.00 0.00 C +ATOM 55 CA ASP A 55 250.078 252.156 245.916 1.00 0.00 C +ATOM 56 CA TYR A 56 253.841 252.377 246.467 1.00 0.00 C +ATOM 57 CA PRO A 57 256.699 253.582 244.254 1.00 0.00 C +ATOM 58 CA ASN A 58 258.263 251.508 241.467 1.00 0.00 C +ATOM 59 CA ASN A 59 261.121 250.221 239.300 1.00 0.00 C +ATOM 60 CA SER A 60 261.574 248.543 235.910 1.00 0.00 C +ATOM 61 CA ASN A 61 262.360 245.725 233.469 1.00 0.00 C +ATOM 62 CA GLN A 62 263.019 241.997 233.893 1.00 0.00 C +ATOM 63 CA PRO A 63 266.199 240.005 234.551 1.00 0.00 C +ATOM 64 CA ARG A 64 266.586 236.502 235.999 1.00 0.00 C +ATOM 65 CA TYR A 65 269.183 233.769 235.449 1.00 0.00 C +ATOM 66 CA PRO A 66 268.830 229.988 235.136 1.00 0.00 C +ATOM 67 CA LEU A 67 265.689 228.046 236.071 1.00 0.00 C +ATOM 68 CA ARG A 68 264.527 227.617 239.674 1.00 0.00 C +ATOM 69 CA PRO A 69 261.832 225.047 240.483 1.00 0.00 C +ATOM 70 CA ASN A 70 262.890 222.930 243.469 1.00 0.00 C +ATOM 71 CA PRO A 71 264.641 222.450 246.818 1.00 0.00 C +ATOM 72 CA GLN A 72 266.858 223.532 249.722 1.00 0.00 C +ATOM 73 CA GLN A 73 269.222 226.515 249.548 1.00 0.00 C +ATOM 74 CA PRO A 74 273.000 226.609 249.065 1.00 0.00 C +ATOM 75 CA GLN A 75 276.369 227.657 250.503 1.00 0.00 C +ATOM 76 CA ARG A 76 278.937 229.599 248.466 1.00 0.00 C +ATOM 77 CA TYR A 77 282.562 230.130 249.511 1.00 0.00 C +ATOM 78 CA GLY A 78 283.925 233.083 247.526 1.00 0.00 C +ATOM 79 CA GLN A 79 287.647 232.445 247.024 1.00 0.00 C +ATOM 80 CA GLU A 80 290.813 234.562 247.144 1.00 0.00 C +TER 81 GLU A 80 +END diff --git a/Viruses/Q0PF77/Q0PF77.dcd b/Viruses/Q0PF77/Q0PF77.dcd new file mode 100644 index 0000000000000000000000000000000000000000..316593b0302ca7842b86622412010fbf3adc047a --- /dev/null +++ b/Viruses/Q0PF77/Q0PF77.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c090e6bc36babae1c4d05a57786bdc65b268555e3239f1b4b490c29b7a896812 +size 10880276 diff --git a/Viruses/Q0PF77/top.pdb b/Viruses/Q0PF77/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..eb3bb9548a90996ccbc8cf8d988e86338ae84c1b --- /dev/null +++ b/Viruses/Q0PF77/top.pdb @@ -0,0 +1,88 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA PHE A 1 243.571 249.635 276.473 1.00 0.00 C +ATOM 2 CA LEU A 2 245.263 252.470 274.571 1.00 0.00 C +ATOM 3 CA GLN A 3 246.324 255.971 273.508 1.00 0.00 C +ATOM 4 CA HIS A 4 245.286 259.571 272.816 1.00 0.00 C +ATOM 5 CA GLN A 5 248.258 261.914 272.380 1.00 0.00 C +ATOM 6 CA THR A 6 251.501 259.924 272.182 1.00 0.00 C +ATOM 7 CA GLY A 7 255.277 260.426 272.070 1.00 0.00 C +ATOM 8 CA GLY A 8 256.490 258.612 268.947 1.00 0.00 C +ATOM 9 CA GLY A 9 255.635 260.489 265.744 1.00 0.00 C +ATOM 10 CA GLU A 10 255.440 260.947 261.966 1.00 0.00 C +ATOM 11 CA SER A 11 255.865 264.588 260.928 1.00 0.00 C +ATOM 12 CA SER A 12 252.571 265.510 259.250 1.00 0.00 C +ATOM 13 CA ALA A 13 252.107 263.074 256.357 1.00 0.00 C +ATOM 14 CA PRO A 14 249.114 262.857 254.009 1.00 0.00 C +ATOM 15 CA ALA A 15 246.649 263.596 251.200 1.00 0.00 C +ATOM 16 CA THR A 16 245.351 266.207 248.748 1.00 0.00 C +ATOM 17 CA ARG A 17 244.614 265.194 245.150 1.00 0.00 C +ATOM 18 CA GLU A 18 247.355 264.816 242.530 1.00 0.00 C +ATOM 19 CA GLY A 19 250.862 264.036 243.798 1.00 0.00 C +ATOM 20 CA VAL A 20 252.426 267.225 245.177 1.00 0.00 C +ATOM 21 CA LYS A 21 255.564 266.468 247.201 1.00 0.00 C +ATOM 22 CA ALA A 22 258.592 267.068 244.968 1.00 0.00 C +ATOM 23 CA ALA A 23 261.270 264.685 243.678 1.00 0.00 C +ATOM 24 CA ILE A 24 261.574 264.158 239.917 1.00 0.00 C +ATOM 25 CA PRO A 25 260.114 261.625 237.473 1.00 0.00 C +ATOM 26 CA ASN A 26 256.748 260.285 238.652 1.00 0.00 C +ATOM 27 CA GLY A 27 257.496 257.029 240.483 1.00 0.00 C +ATOM 28 CA SER A 28 259.656 254.741 242.631 1.00 0.00 C +ATOM 29 CA GLU A 29 261.591 252.658 245.168 1.00 0.00 C +ATOM 30 CA GLU A 30 265.119 251.280 244.755 1.00 0.00 C +ATOM 31 CA ARG A 31 267.404 251.169 247.802 1.00 0.00 C +ATOM 32 CA ASP A 32 267.333 251.903 251.540 1.00 0.00 C +ATOM 33 CA ARG A 33 265.090 249.978 253.944 1.00 0.00 C +ATOM 34 CA LYS A 34 263.466 247.905 256.697 1.00 0.00 C +ATOM 35 CA GLN A 35 261.058 247.999 259.649 1.00 0.00 C +ATOM 36 CA THR A 36 262.634 249.597 262.727 1.00 0.00 C +ATOM 37 CA ARG A 37 264.806 252.411 264.100 1.00 0.00 C +ATOM 38 CA PRO A 38 267.970 253.730 262.438 1.00 0.00 C +ATOM 39 CA GLY A 39 267.368 256.033 259.464 1.00 0.00 C +ATOM 40 CA ARG A 40 263.676 256.195 258.538 1.00 0.00 C +ATOM 41 CA PRO A 41 260.992 257.090 261.090 1.00 0.00 C +ATOM 42 CA ARG A 42 258.282 254.445 261.506 1.00 0.00 C +ATOM 43 CA GLY A 43 254.559 253.723 261.876 1.00 0.00 C +ATOM 44 CA GLU A 44 251.850 252.861 264.413 1.00 0.00 C +ATOM 45 CA THR A 45 248.726 254.978 264.936 1.00 0.00 C +ATOM 46 CA PRO A 46 246.134 257.765 265.102 1.00 0.00 C +ATOM 47 CA GLY A 47 243.821 257.419 262.095 1.00 0.00 C +ATOM 48 CA GLN A 48 243.320 255.117 259.100 1.00 0.00 C +ATOM 49 CA LEU A 49 243.694 255.029 255.310 1.00 0.00 C +ATOM 50 CA LEU A 50 243.805 251.867 253.188 1.00 0.00 C +ATOM 51 CA LEU A 51 247.233 250.337 253.842 1.00 0.00 C +ATOM 52 CA ASP A 52 250.396 248.421 252.926 1.00 0.00 C +ATOM 53 CA ILE A 53 252.651 247.161 255.726 1.00 0.00 C +ATOM 54 CA MET A 54 254.978 244.145 255.805 1.00 0.00 C +ATOM 55 CA PRO A 55 252.955 241.009 255.033 1.00 0.00 C +ATOM 56 CA GLU A 56 250.894 241.023 251.829 1.00 0.00 C +ATOM 57 CA ASP A 57 247.093 240.809 251.987 1.00 0.00 C +ATOM 58 CA GLU A 58 243.912 239.982 250.060 1.00 0.00 C +ATOM 59 CA VAL A 59 241.015 241.863 248.453 1.00 0.00 C +ATOM 60 CA SER A 60 237.672 240.952 246.868 1.00 0.00 C +ATOM 61 CA ARG A 61 238.082 238.178 244.289 1.00 0.00 C +ATOM 62 CA GLU A 62 236.553 237.196 240.940 1.00 0.00 C +ATOM 63 CA SER A 63 234.843 238.487 237.789 1.00 0.00 C +ATOM 64 CA GLY A 64 236.388 237.819 234.371 1.00 0.00 C +ATOM 65 CA GLN A 65 234.348 236.372 231.498 1.00 0.00 C +ATOM 66 CA ASN A 66 231.668 236.350 228.790 1.00 0.00 C +ATOM 67 CA PRO A 67 233.171 234.339 225.924 1.00 0.00 C +ATOM 68 CA ARG A 68 236.539 232.744 226.720 1.00 0.00 C +ATOM 69 CA GLU A 69 237.193 229.010 226.346 1.00 0.00 C +ATOM 70 CA ALA A 70 237.742 225.610 227.976 1.00 0.00 C +ATOM 71 CA GLN A 71 239.307 225.648 231.450 1.00 0.00 C +ATOM 72 CA ARG A 72 242.932 226.005 232.568 1.00 0.00 C +ATOM 73 CA SER A 73 244.372 227.179 235.895 1.00 0.00 C +ATOM 74 CA ALA A 74 243.589 230.337 237.876 1.00 0.00 C +ATOM 75 CA GLU A 75 246.747 231.098 239.868 1.00 0.00 C +ATOM 76 CA ALA A 76 247.924 234.368 241.428 1.00 0.00 C +ATOM 77 CA LEU A 77 245.644 237.237 242.472 1.00 0.00 C +ATOM 78 CA PHE A 78 246.131 241.008 242.241 1.00 0.00 C +ATOM 79 CA ARG A 79 243.658 243.906 242.279 1.00 0.00 C +ATOM 80 CA LEU A 80 241.514 245.495 239.559 1.00 0.00 C +ATOM 81 CA GLN A 81 241.522 243.650 236.225 1.00 0.00 C +ATOM 82 CA ALA A 82 245.138 242.938 235.257 1.00 0.00 C +ATOM 83 CA MET A 83 246.165 245.792 232.952 1.00 0.00 C +ATOM 84 CA ALA A 84 246.363 249.261 234.515 1.00 0.00 C +TER 85 ALA A 84 +END diff --git a/Viruses/Q0PF82/Q0PF82.dcd b/Viruses/Q0PF82/Q0PF82.dcd new file mode 100644 index 0000000000000000000000000000000000000000..21dcba6d8d422e0d68424133eb9db14a543950aa --- /dev/null +++ b/Viruses/Q0PF82/Q0PF82.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:74269dcf4db208064f9eb0b134125f3eec159e1562fdb26a772a58fe683498fb +size 10880276 diff --git a/Viruses/Q0PF82/top.pdb b/Viruses/Q0PF82/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..58c535b2d1eca689ae720a5683e83cee0d6db6e0 --- /dev/null +++ b/Viruses/Q0PF82/top.pdb @@ -0,0 +1,88 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA PHE A 1 307.367 192.764 240.776 1.00 0.00 C +ATOM 2 CA LEU A 2 303.615 192.187 241.094 1.00 0.00 C +ATOM 3 CA GLN A 3 300.385 194.174 240.724 1.00 0.00 C +ATOM 4 CA ARG A 4 297.381 191.939 241.432 1.00 0.00 C +ATOM 5 CA LYS A 5 294.355 192.989 239.368 1.00 0.00 C +ATOM 6 CA ILE A 6 293.975 191.661 235.817 1.00 0.00 C +ATOM 7 CA GLY A 7 294.509 193.090 232.325 1.00 0.00 C +ATOM 8 CA GLU A 8 291.385 195.086 231.446 1.00 0.00 C +ATOM 9 CA GLY A 9 290.106 196.733 234.634 1.00 0.00 C +ATOM 10 CA GLU A 10 288.908 199.320 237.161 1.00 0.00 C +ATOM 11 CA SER A 11 291.928 200.639 239.074 1.00 0.00 C +ATOM 12 CA PRO A 12 292.427 204.413 238.944 1.00 0.00 C +ATOM 13 CA THR A 13 291.951 208.174 239.329 1.00 0.00 C +ATOM 14 CA PRO A 14 291.059 210.769 241.972 1.00 0.00 C +ATOM 15 CA ALA A 15 287.849 212.823 241.953 1.00 0.00 C +ATOM 16 CA THR A 16 284.141 213.516 241.425 1.00 0.00 C +ATOM 17 CA LYS A 17 283.492 216.452 239.084 1.00 0.00 C +ATOM 18 CA GLU A 18 280.159 218.015 240.067 1.00 0.00 C +ATOM 19 CA GLU A 19 277.495 218.970 242.618 1.00 0.00 C +ATOM 20 CA VAL A 20 273.693 219.149 242.456 1.00 0.00 C +ATOM 21 CA LYS A 21 270.174 219.849 243.739 1.00 0.00 C +ATOM 22 CA ALA A 22 268.918 223.335 244.627 1.00 0.00 C +ATOM 23 CA ALA A 23 265.156 223.930 244.502 1.00 0.00 C +ATOM 24 CA ILE A 24 262.563 226.561 245.433 1.00 0.00 C +ATOM 25 CA PRO A 25 259.947 227.151 248.140 1.00 0.00 C +ATOM 26 CA ASN A 26 256.552 228.776 248.731 1.00 0.00 C +ATOM 27 CA GLY A 27 254.967 231.914 250.199 1.00 0.00 C +ATOM 28 CA SER A 28 257.112 234.900 251.198 1.00 0.00 C +ATOM 29 CA GLU A 29 254.976 238.047 250.972 1.00 0.00 C +ATOM 30 CA GLY A 30 254.387 241.775 251.490 1.00 0.00 C +ATOM 31 CA ARG A 31 255.312 245.184 252.918 1.00 0.00 C +ATOM 32 CA ASP A 32 252.982 246.717 255.513 1.00 0.00 C +ATOM 33 CA MET A 33 249.299 247.272 254.710 1.00 0.00 C +ATOM 34 CA LYS A 34 247.015 244.374 253.759 1.00 0.00 C +ATOM 35 CA ARG A 35 243.300 243.554 253.547 1.00 0.00 C +ATOM 36 CA THR A 36 240.726 245.537 255.536 1.00 0.00 C +ATOM 37 CA ARG A 37 239.022 248.250 257.598 1.00 0.00 C +ATOM 38 CA PRO A 38 239.693 251.691 256.106 1.00 0.00 C +ATOM 39 CA GLY A 39 240.790 252.825 252.638 1.00 0.00 C +ATOM 40 CA LYS A 40 242.650 254.643 249.854 1.00 0.00 C +ATOM 41 CA PRO A 41 242.047 252.791 246.580 1.00 0.00 C +ATOM 42 CA ARG A 42 244.614 254.100 244.088 1.00 0.00 C +ATOM 43 CA GLY A 43 244.039 255.890 240.774 1.00 0.00 C +ATOM 44 CA GLU A 44 240.717 255.774 238.911 1.00 0.00 C +ATOM 45 CA THR A 45 238.839 259.042 239.466 1.00 0.00 C +ATOM 46 CA PRO A 46 238.867 262.511 237.889 1.00 0.00 C +ATOM 47 CA GLY A 47 241.900 264.628 236.976 1.00 0.00 C +ATOM 48 CA GLN A 48 241.237 268.310 236.253 1.00 0.00 C +ATOM 49 CA LEU A 49 241.588 271.527 238.264 1.00 0.00 C +ATOM 50 CA LEU A 50 242.361 270.416 241.825 1.00 0.00 C +ATOM 51 CA LEU A 51 244.567 267.851 243.578 1.00 0.00 C +ATOM 52 CA GLU A 52 246.221 268.022 247.006 1.00 0.00 C +ATOM 53 CA ILE A 53 246.623 265.951 250.178 1.00 0.00 C +ATOM 54 CA MET A 54 244.314 263.033 250.998 1.00 0.00 C +ATOM 55 CA PRO A 55 240.559 263.276 251.591 1.00 0.00 C +ATOM 56 CA GLU A 56 237.839 262.689 254.194 1.00 0.00 C +ATOM 57 CA ASP A 57 235.314 259.870 254.633 1.00 0.00 C +ATOM 58 CA GLU A 58 234.327 256.611 256.342 1.00 0.00 C +ATOM 59 CA VAL A 59 230.576 256.154 255.849 1.00 0.00 C +ATOM 60 CA SER A 60 228.915 259.581 255.969 1.00 0.00 C +ATOM 61 CA ARG A 61 226.008 261.246 257.782 1.00 0.00 C +ATOM 62 CA GLU A 62 225.267 263.738 260.567 1.00 0.00 C +ATOM 63 CA SER A 63 226.631 265.891 263.399 1.00 0.00 C +ATOM 64 CA GLY A 64 227.894 267.402 266.661 1.00 0.00 C +ATOM 65 CA GLN A 65 226.365 270.574 268.114 1.00 0.00 C +ATOM 66 CA ASN A 66 224.713 273.992 268.443 1.00 0.00 C +ATOM 67 CA PRO A 67 226.494 277.220 267.483 1.00 0.00 C +ATOM 68 CA ARG A 68 227.463 280.498 269.165 1.00 0.00 C +ATOM 69 CA GLU A 69 224.581 281.325 271.515 1.00 0.00 C +ATOM 70 CA ALA A 70 222.049 283.789 270.088 1.00 0.00 C +ATOM 71 CA GLN A 71 222.436 285.140 266.547 1.00 0.00 C +ATOM 72 CA ARG A 72 224.322 288.269 265.467 1.00 0.00 C +ATOM 73 CA SER A 73 222.937 289.697 262.217 1.00 0.00 C +ATOM 74 CA ALA A 74 219.283 290.771 262.313 1.00 0.00 C +ATOM 75 CA GLU A 75 216.256 291.218 260.043 1.00 0.00 C +ATOM 76 CA ALA A 76 216.126 294.788 258.720 1.00 0.00 C +ATOM 77 CA LEU A 77 214.184 297.976 259.487 1.00 0.00 C +ATOM 78 CA PHE A 78 215.796 301.104 258.026 1.00 0.00 C +ATOM 79 CA ARG A 79 217.932 304.254 258.204 1.00 0.00 C +ATOM 80 CA LEU A 80 216.998 307.873 257.460 1.00 0.00 C +ATOM 81 CA GLN A 81 219.902 309.266 255.426 1.00 0.00 C +ATOM 82 CA ALA A 82 220.631 309.484 251.693 1.00 0.00 C +ATOM 83 CA MET A 83 219.486 311.819 248.909 1.00 0.00 C +ATOM 84 CA ALA A 84 219.064 315.494 247.995 1.00 0.00 C +TER 85 ALA A 84 +END diff --git a/Viruses/Q0PF92/Q0PF92.dcd b/Viruses/Q0PF92/Q0PF92.dcd new file mode 100644 index 0000000000000000000000000000000000000000..7a32974ba431af7cf7721d126522c6f7a4b83b84 --- /dev/null +++ b/Viruses/Q0PF92/Q0PF92.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d88196a1b90db14c55ccf7b45896689c599589328e2e7ff2f215faa2e5e68da1 +size 10880276 diff --git a/Viruses/Q0PF92/top.pdb b/Viruses/Q0PF92/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..61478e4fbb9046fbbe8ff66030383d5a26d0682e --- /dev/null +++ b/Viruses/Q0PF92/top.pdb @@ -0,0 +1,88 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA PHE A 1 285.138 248.187 227.653 1.00 0.00 C +ATOM 2 CA LEU A 2 283.413 251.533 228.239 1.00 0.00 C +ATOM 3 CA GLN A 3 281.553 253.711 225.727 1.00 0.00 C +ATOM 4 CA HIS A 4 282.438 257.228 224.561 1.00 0.00 C +ATOM 5 CA LYS A 5 279.587 259.751 224.727 1.00 0.00 C +ATOM 6 CA ILE A 6 276.558 260.181 226.997 1.00 0.00 C +ATOM 7 CA GLY A 7 275.073 263.628 227.655 1.00 0.00 C +ATOM 8 CA GLU A 8 276.452 266.014 225.024 1.00 0.00 C +ATOM 9 CA GLY A 9 279.606 265.842 222.894 1.00 0.00 C +ATOM 10 CA GLU A 10 282.796 265.187 220.916 1.00 0.00 C +ATOM 11 CA SER A 11 285.449 264.134 223.440 1.00 0.00 C +ATOM 12 CA HIS A 12 287.236 265.724 226.405 1.00 0.00 C +ATOM 13 CA ALA A 13 285.431 265.212 229.721 1.00 0.00 C +ATOM 14 CA SER A 14 283.013 264.313 232.525 1.00 0.00 C +ATOM 15 CA ALA A 15 279.820 262.237 232.635 1.00 0.00 C +ATOM 16 CA THR A 16 276.267 261.729 233.913 1.00 0.00 C +ATOM 17 CA ARG A 17 272.802 263.310 234.033 1.00 0.00 C +ATOM 18 CA GLU A 18 269.958 264.164 236.419 1.00 0.00 C +ATOM 19 CA GLU A 19 269.149 267.886 236.303 1.00 0.00 C +ATOM 20 CA VAL A 20 266.530 270.029 238.053 1.00 0.00 C +ATOM 21 CA LYS A 21 264.171 271.351 235.369 1.00 0.00 C +ATOM 22 CA ALA A 22 264.357 275.008 234.317 1.00 0.00 C +ATOM 23 CA ALA A 23 261.906 275.993 231.571 1.00 0.00 C +ATOM 24 CA THR A 24 259.068 273.820 230.252 1.00 0.00 C +ATOM 25 CA PRO A 25 258.394 270.695 228.179 1.00 0.00 C +ATOM 26 CA HIS A 26 259.555 267.482 229.867 1.00 0.00 C +ATOM 27 CA GLY A 27 258.420 266.183 233.263 1.00 0.00 C +ATOM 28 CA PRO A 28 258.776 264.455 236.640 1.00 0.00 C +ATOM 29 CA ASP A 29 257.969 263.033 240.082 1.00 0.00 C +ATOM 30 CA GLU A 30 259.986 263.962 243.178 1.00 0.00 C +ATOM 31 CA LYS A 31 258.715 265.487 246.430 1.00 0.00 C +ATOM 32 CA GLY A 32 257.600 266.953 249.765 1.00 0.00 C +ATOM 33 CA LYS A 33 259.222 264.939 252.563 1.00 0.00 C +ATOM 34 CA THR A 34 258.587 261.187 252.752 1.00 0.00 C +ATOM 35 CA ARG A 35 255.420 259.109 253.158 1.00 0.00 C +ATOM 36 CA ALA A 36 252.427 257.902 251.133 1.00 0.00 C +ATOM 37 CA ARG A 37 250.801 257.189 247.762 1.00 0.00 C +ATOM 38 CA SER A 38 249.384 256.270 244.347 1.00 0.00 C +ATOM 39 CA GLY A 39 246.161 257.778 242.986 1.00 0.00 C +ATOM 40 CA ARG A 40 244.071 254.900 241.618 1.00 0.00 C +ATOM 41 CA PRO A 41 243.687 252.152 239.007 1.00 0.00 C +ATOM 42 CA ARG A 42 242.282 248.987 240.596 1.00 0.00 C +ATOM 43 CA GLY A 43 242.783 245.526 242.107 1.00 0.00 C +ATOM 44 CA GLY A 44 244.338 245.643 245.584 1.00 0.00 C +ATOM 45 CA THR A 45 245.390 243.782 248.737 1.00 0.00 C +ATOM 46 CA PRO A 46 245.570 240.100 249.699 1.00 0.00 C +ATOM 47 CA ASP A 47 245.930 236.579 248.287 1.00 0.00 C +ATOM 48 CA GLN A 48 242.453 235.285 247.420 1.00 0.00 C +ATOM 49 CA LEU A 49 239.501 233.450 248.982 1.00 0.00 C +ATOM 50 CA LEU A 50 238.687 232.456 252.568 1.00 0.00 C +ATOM 51 CA LEU A 51 237.582 234.668 255.468 1.00 0.00 C +ATOM 52 CA GLU A 52 235.962 238.092 255.876 1.00 0.00 C +ATOM 53 CA ILE A 53 232.264 238.858 255.373 1.00 0.00 C +ATOM 54 CA MET A 54 230.312 237.588 252.357 1.00 0.00 C +ATOM 55 CA PRO A 55 228.710 235.747 249.431 1.00 0.00 C +ATOM 56 CA GLU A 56 228.301 231.986 248.982 1.00 0.00 C +ATOM 57 CA ASP A 57 226.193 230.262 251.647 1.00 0.00 C +ATOM 58 CA GLU A 58 227.637 227.646 254.010 1.00 0.00 C +ATOM 59 CA VAL A 59 230.204 225.446 255.767 1.00 0.00 C +ATOM 60 CA PRO A 60 232.089 224.076 258.781 1.00 0.00 C +ATOM 61 CA ARG A 61 229.856 222.482 261.426 1.00 0.00 C +ATOM 62 CA GLY A 62 228.143 222.077 264.805 1.00 0.00 C +ATOM 63 CA SER A 63 227.774 219.648 267.716 1.00 0.00 C +ATOM 64 CA GLY A 64 231.127 219.615 269.526 1.00 0.00 C +ATOM 65 CA GLN A 65 230.874 221.727 272.687 1.00 0.00 C +ATOM 66 CA ASN A 66 228.654 222.016 275.770 1.00 0.00 C +ATOM 67 CA PRO A 67 229.440 225.388 277.359 1.00 0.00 C +ATOM 68 CA ARG A 68 228.977 227.253 280.649 1.00 0.00 C +ATOM 69 CA GLU A 69 227.465 229.212 283.545 1.00 0.00 C +ATOM 70 CA ALA A 70 226.113 232.517 284.875 1.00 0.00 C +ATOM 71 CA GLN A 71 225.565 235.363 282.402 1.00 0.00 C +ATOM 72 CA ARG A 72 227.767 234.904 279.327 1.00 0.00 C +ATOM 73 CA SER A 73 230.298 237.531 278.226 1.00 0.00 C +ATOM 74 CA ALA A 74 230.360 240.806 276.280 1.00 0.00 C +ATOM 75 CA GLU A 75 228.875 242.694 273.322 1.00 0.00 C +ATOM 76 CA ALA A 76 226.603 245.695 273.913 1.00 0.00 C +ATOM 77 CA LEU A 77 228.647 248.212 275.913 1.00 0.00 C +ATOM 78 CA PHE A 78 232.395 248.220 275.226 1.00 0.00 C +ATOM 79 CA ARG A 79 233.427 251.818 274.513 1.00 0.00 C +ATOM 80 CA LEU A 80 235.625 254.580 273.079 1.00 0.00 C +ATOM 81 CA GLN A 81 237.903 257.279 271.650 1.00 0.00 C +ATOM 82 CA ALA A 82 238.839 260.027 274.117 1.00 0.00 C +ATOM 83 CA MET A 83 240.317 263.016 275.960 1.00 0.00 C +ATOM 84 CA ALA A 84 241.820 265.891 273.963 1.00 0.00 C +TER 85 ALA A 84 +END diff --git a/Viruses/Q0PFA4/Q0PFA4.dcd b/Viruses/Q0PFA4/Q0PFA4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..22e4dc69a360c3af7b8c4a5ee889c08c9f12c912 --- /dev/null +++ b/Viruses/Q0PFA4/Q0PFA4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d2aa80ec474badf975f3014a88826f4fd545b82d0e519f349db9a0ee7f8f3bc6 +size 10880276 diff --git a/Viruses/Q0PFA4/top.pdb b/Viruses/Q0PFA4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b893a940c7ce63a0873db1c9d5c94c4d9a742afe --- /dev/null +++ b/Viruses/Q0PFA4/top.pdb @@ -0,0 +1,88 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA PHE A 1 268.403 259.343 298.413 1.00 0.00 C +ATOM 2 CA LEU A 2 268.397 262.632 296.491 1.00 0.00 C +ATOM 3 CA GLN A 3 268.514 261.799 292.775 1.00 0.00 C +ATOM 4 CA HIS A 4 266.569 264.293 290.651 1.00 0.00 C +ATOM 5 CA LYS A 5 266.561 263.677 286.891 1.00 0.00 C +ATOM 6 CA THR A 6 267.264 262.839 283.241 1.00 0.00 C +ATOM 7 CA VAL A 7 265.853 265.450 280.852 1.00 0.00 C +ATOM 8 CA GLU A 8 262.077 265.544 280.353 1.00 0.00 C +ATOM 9 CA GLY A 9 260.545 268.781 281.654 1.00 0.00 C +ATOM 10 CA GLU A 10 257.330 269.236 279.660 1.00 0.00 C +ATOM 11 CA SER A 11 254.910 268.576 276.792 1.00 0.00 C +ATOM 12 CA SER A 12 252.339 265.765 276.894 1.00 0.00 C +ATOM 13 CA ALA A 13 249.901 263.170 278.247 1.00 0.00 C +ATOM 14 CA PRO A 14 248.686 259.586 278.689 1.00 0.00 C +ATOM 15 CA VAL A 15 245.795 257.130 279.039 1.00 0.00 C +ATOM 16 CA THR A 16 245.609 255.431 282.444 1.00 0.00 C +ATOM 17 CA ARG A 17 248.111 254.008 284.940 1.00 0.00 C +ATOM 18 CA GLU A 18 249.984 250.793 284.118 1.00 0.00 C +ATOM 19 CA GLU A 19 251.923 250.622 280.843 1.00 0.00 C +ATOM 20 CA VAL A 20 251.189 247.348 279.038 1.00 0.00 C +ATOM 21 CA LYS A 21 250.925 246.516 275.330 1.00 0.00 C +ATOM 22 CA ALA A 22 252.317 248.353 272.296 1.00 0.00 C +ATOM 23 CA ALA A 23 255.814 249.828 272.637 1.00 0.00 C +ATOM 24 CA ILE A 24 258.538 252.427 273.222 1.00 0.00 C +ATOM 25 CA PRO A 25 261.047 253.920 270.775 1.00 0.00 C +ATOM 26 CA ASN A 26 261.090 256.426 267.906 1.00 0.00 C +ATOM 27 CA GLY A 27 260.779 256.955 264.145 1.00 0.00 C +ATOM 28 CA SER A 28 261.917 254.112 261.878 1.00 0.00 C +ATOM 29 CA GLU A 29 259.366 253.333 259.157 1.00 0.00 C +ATOM 30 CA GLU A 30 257.861 254.368 255.814 1.00 0.00 C +ATOM 31 CA ARG A 31 258.773 255.594 252.323 1.00 0.00 C +ATOM 32 CA ASP A 32 257.747 256.147 248.696 1.00 0.00 C +ATOM 33 CA LYS A 33 254.589 256.365 246.576 1.00 0.00 C +ATOM 34 CA ARG A 34 253.245 253.983 243.923 1.00 0.00 C +ATOM 35 CA ARG A 35 251.754 250.484 244.147 1.00 0.00 C +ATOM 36 CA THR A 36 249.540 247.384 244.099 1.00 0.00 C +ATOM 37 CA ARG A 37 249.457 245.910 247.611 1.00 0.00 C +ATOM 38 CA PRO A 38 247.501 242.664 248.001 1.00 0.00 C +ATOM 39 CA GLY A 39 243.693 242.548 247.941 1.00 0.00 C +ATOM 40 CA ARG A 40 242.828 239.881 245.362 1.00 0.00 C +ATOM 41 CA PRO A 41 240.182 237.213 245.991 1.00 0.00 C +ATOM 42 CA ARG A 42 240.679 233.980 244.038 1.00 0.00 C +ATOM 43 CA GLY A 43 241.338 230.286 243.376 1.00 0.00 C +ATOM 44 CA GLU A 44 239.045 227.310 242.743 1.00 0.00 C +ATOM 45 CA THR A 45 238.411 224.479 240.273 1.00 0.00 C +ATOM 46 CA PRO A 46 235.678 224.427 237.619 1.00 0.00 C +ATOM 47 CA SER A 47 236.778 225.323 234.084 1.00 0.00 C +ATOM 48 CA GLN A 48 237.141 229.055 233.403 1.00 0.00 C +ATOM 49 CA PRO A 49 235.451 232.423 233.964 1.00 0.00 C +ATOM 50 CA LEU A 50 234.086 235.926 233.346 1.00 0.00 C +ATOM 51 CA LEU A 51 231.570 237.277 230.825 1.00 0.00 C +ATOM 52 CA GLU A 52 229.879 238.846 227.793 1.00 0.00 C +ATOM 53 CA ILE A 53 232.514 239.834 225.224 1.00 0.00 C +ATOM 54 CA MET A 54 235.998 241.097 226.109 1.00 0.00 C +ATOM 55 CA PRO A 55 237.017 243.549 228.842 1.00 0.00 C +ATOM 56 CA GLU A 56 240.023 245.815 229.428 1.00 0.00 C +ATOM 57 CA ASP A 57 241.677 248.934 227.995 1.00 0.00 C +ATOM 58 CA GLU A 58 240.031 251.850 226.179 1.00 0.00 C +ATOM 59 CA ALA A 59 238.544 254.837 228.018 1.00 0.00 C +ATOM 60 CA SER A 60 241.072 257.687 227.933 1.00 0.00 C +ATOM 61 CA ARG A 61 244.002 259.117 229.904 1.00 0.00 C +ATOM 62 CA GLU A 62 247.804 258.945 230.084 1.00 0.00 C +ATOM 63 CA SER A 63 251.355 260.164 229.434 1.00 0.00 C +ATOM 64 CA GLY A 64 252.334 263.022 227.114 1.00 0.00 C +ATOM 65 CA GLN A 65 254.579 265.296 229.188 1.00 0.00 C +ATOM 66 CA THR A 66 257.232 264.247 231.714 1.00 0.00 C +ATOM 67 CA SER A 67 256.373 260.668 232.699 1.00 0.00 C +ATOM 68 CA ARG A 68 254.789 257.679 234.451 1.00 0.00 C +ATOM 69 CA GLU A 69 253.972 254.428 232.638 1.00 0.00 C +ATOM 70 CA ALA A 70 251.635 251.608 233.687 1.00 0.00 C +ATOM 71 CA GLN A 71 251.052 248.447 235.732 1.00 0.00 C +ATOM 72 CA ARG A 72 249.192 245.266 236.702 1.00 0.00 C +ATOM 73 CA SER A 73 250.322 241.837 237.918 1.00 0.00 C +ATOM 74 CA ALA A 74 251.743 239.176 235.591 1.00 0.00 C +ATOM 75 CA GLU A 75 253.050 238.784 232.034 1.00 0.00 C +ATOM 76 CA ALA A 76 252.514 241.933 229.957 1.00 0.00 C +ATOM 77 CA LEU A 77 251.961 244.454 227.155 1.00 0.00 C +ATOM 78 CA PHE A 78 251.126 247.407 224.897 1.00 0.00 C +ATOM 79 CA ARG A 79 249.584 249.604 222.192 1.00 0.00 C +ATOM 80 CA LEU A 80 247.054 247.436 220.344 1.00 0.00 C +ATOM 81 CA GLN A 81 246.611 243.896 221.682 1.00 0.00 C +ATOM 82 CA ALA A 82 244.673 242.259 224.524 1.00 0.00 C +ATOM 83 CA MET A 83 244.625 240.833 228.057 1.00 0.00 C +ATOM 84 CA ALA A 84 246.568 240.119 231.256 1.00 0.00 C +TER 85 ALA A 84 +END diff --git a/Viruses/Q0PFA9/Q0PFA9.dcd b/Viruses/Q0PFA9/Q0PFA9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a72dd45bce3763a959745a6b471602a95b66308c --- /dev/null +++ b/Viruses/Q0PFA9/Q0PFA9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c4f934b27d1b76ae5d80dc159c5954e57d542a832f3d923bbf951cd1d01587a8 +size 10880276 diff --git a/Viruses/Q0PFA9/top.pdb b/Viruses/Q0PFA9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5943c5c65cb0ea8dc95b3efe493e6508d4f3e2ae --- /dev/null +++ b/Viruses/Q0PFA9/top.pdb @@ -0,0 +1,88 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA PHE A 1 221.519 253.256 258.418 1.00 0.00 C +ATOM 2 CA LEU A 2 222.503 250.856 261.208 1.00 0.00 C +ATOM 3 CA GLN A 3 225.574 248.733 260.446 1.00 0.00 C +ATOM 4 CA HIS A 4 229.329 249.290 260.771 1.00 0.00 C +ATOM 5 CA LYS A 5 230.317 251.391 257.750 1.00 0.00 C +ATOM 6 CA ILE A 6 227.874 254.315 257.790 1.00 0.00 C +ATOM 7 CA ASP A 7 227.816 256.351 254.571 1.00 0.00 C +ATOM 8 CA GLU A 8 225.152 258.597 253.030 1.00 0.00 C +ATOM 9 CA GLY A 9 223.219 256.446 250.549 1.00 0.00 C +ATOM 10 CA ASP A 10 221.007 257.330 247.575 1.00 0.00 C +ATOM 11 CA ALA A 11 221.797 260.532 245.667 1.00 0.00 C +ATOM 12 CA PRO A 12 221.523 263.509 243.306 1.00 0.00 C +ATOM 13 CA THR A 13 222.191 267.185 244.052 1.00 0.00 C +ATOM 14 CA PRO A 14 220.930 269.807 246.511 1.00 0.00 C +ATOM 15 CA ALA A 15 220.352 273.573 246.567 1.00 0.00 C +ATOM 16 CA THR A 16 220.136 274.983 243.034 1.00 0.00 C +ATOM 17 CA ARG A 17 220.278 272.834 239.892 1.00 0.00 C +ATOM 18 CA GLU A 18 218.166 270.857 237.413 1.00 0.00 C +ATOM 19 CA GLU A 19 214.663 269.461 237.962 1.00 0.00 C +ATOM 20 CA VAL A 20 212.931 266.310 236.702 1.00 0.00 C +ATOM 21 CA LYS A 21 211.821 264.633 233.466 1.00 0.00 C +ATOM 22 CA ALA A 22 214.442 265.566 230.863 1.00 0.00 C +ATOM 23 CA ALA A 23 216.766 268.306 229.596 1.00 0.00 C +ATOM 24 CA ILE A 24 220.520 267.874 229.109 1.00 0.00 C +ATOM 25 CA PRO A 25 222.366 266.681 232.221 1.00 0.00 C +ATOM 26 CA ASN A 26 225.707 267.362 233.921 1.00 0.00 C +ATOM 27 CA GLY A 27 228.523 269.897 234.322 1.00 0.00 C +ATOM 28 CA SER A 28 229.594 271.879 237.394 1.00 0.00 C +ATOM 29 CA GLU A 29 232.100 271.721 240.260 1.00 0.00 C +ATOM 30 CA GLY A 30 235.632 270.443 240.898 1.00 0.00 C +ATOM 31 CA ARG A 31 237.094 267.152 242.142 1.00 0.00 C +ATOM 32 CA GLU A 32 236.081 264.441 244.620 1.00 0.00 C +ATOM 33 CA PRO A 33 235.905 261.748 247.309 1.00 0.00 C +ATOM 34 CA LYS A 34 234.145 262.639 250.569 1.00 0.00 C +ATOM 35 CA ARG A 35 236.820 262.703 253.281 1.00 0.00 C +ATOM 36 CA THR A 36 240.564 262.104 252.910 1.00 0.00 C +ATOM 37 CA ARG A 37 243.610 260.650 251.141 1.00 0.00 C +ATOM 38 CA SER A 38 243.956 256.963 250.244 1.00 0.00 C +ATOM 39 CA GLY A 39 244.951 253.385 249.396 1.00 0.00 C +ATOM 40 CA LYS A 40 242.574 250.427 249.734 1.00 0.00 C +ATOM 41 CA PRO A 41 243.432 248.515 252.916 1.00 0.00 C +ATOM 42 CA ARG A 42 247.041 247.318 252.664 1.00 0.00 C +ATOM 43 CA GLY A 43 249.604 245.834 255.061 1.00 0.00 C +ATOM 44 CA GLU A 44 253.316 245.840 255.917 1.00 0.00 C +ATOM 45 CA THR A 45 255.726 244.167 253.486 1.00 0.00 C +ATOM 46 CA PRO A 46 258.896 245.803 252.146 1.00 0.00 C +ATOM 47 CA GLY A 47 262.356 244.978 250.782 1.00 0.00 C +ATOM 48 CA GLN A 48 262.672 246.765 247.432 1.00 0.00 C +ATOM 49 CA LEU A 49 261.098 249.606 245.439 1.00 0.00 C +ATOM 50 CA LEU A 50 262.402 249.332 241.869 1.00 0.00 C +ATOM 51 CA LEU A 51 263.458 246.800 239.225 1.00 0.00 C +ATOM 52 CA GLU A 52 265.242 243.943 241.005 1.00 0.00 C +ATOM 53 CA ILE A 53 266.821 241.824 243.750 1.00 0.00 C +ATOM 54 CA MET A 54 266.309 239.625 246.819 1.00 0.00 C +ATOM 55 CA PRO A 55 266.818 236.069 245.551 1.00 0.00 C +ATOM 56 CA GLU A 56 264.904 232.775 245.605 1.00 0.00 C +ATOM 57 CA ASP A 57 266.861 230.209 247.631 1.00 0.00 C +ATOM 58 CA GLU A 58 268.609 231.560 250.736 1.00 0.00 C +ATOM 59 CA VAL A 59 267.271 234.810 252.207 1.00 0.00 C +ATOM 60 CA SER A 60 266.659 234.087 255.897 1.00 0.00 C +ATOM 61 CA ARG A 61 266.497 230.669 257.573 1.00 0.00 C +ATOM 62 CA GLU A 62 269.200 228.196 256.528 1.00 0.00 C +ATOM 63 CA SER A 63 272.005 226.690 254.434 1.00 0.00 C +ATOM 64 CA SER A 64 273.628 223.948 256.523 1.00 0.00 C +ATOM 65 CA GLN A 65 274.140 225.379 260.017 1.00 0.00 C +ATOM 66 CA ASN A 66 274.354 228.338 262.407 1.00 0.00 C +ATOM 67 CA PRO A 67 273.425 231.632 260.732 1.00 0.00 C +ATOM 68 CA ARG A 68 274.521 234.700 258.756 1.00 0.00 C +ATOM 69 CA GLU A 69 275.431 235.500 255.144 1.00 0.00 C +ATOM 70 CA ALA A 70 276.458 236.812 251.718 1.00 0.00 C +ATOM 71 CA GLN A 71 278.449 239.831 250.518 1.00 0.00 C +ATOM 72 CA ARG A 72 280.550 242.763 249.291 1.00 0.00 C +ATOM 73 CA SER A 73 283.941 242.839 247.555 1.00 0.00 C +ATOM 74 CA ALA A 74 286.670 242.001 250.078 1.00 0.00 C +ATOM 75 CA GLU A 75 288.206 240.366 253.158 1.00 0.00 C +ATOM 76 CA ALA A 76 290.220 241.785 256.064 1.00 0.00 C +ATOM 77 CA LEU A 77 289.439 241.222 259.750 1.00 0.00 C +ATOM 78 CA PHE A 78 286.695 242.669 261.961 1.00 0.00 C +ATOM 79 CA ARG A 79 285.193 241.684 265.322 1.00 0.00 C +ATOM 80 CA LEU A 80 284.370 238.415 267.097 1.00 0.00 C +ATOM 81 CA GLN A 81 281.775 237.460 269.718 1.00 0.00 C +ATOM 82 CA ALA A 82 279.250 234.951 268.359 1.00 0.00 C +ATOM 83 CA MET A 83 277.838 231.850 266.655 1.00 0.00 C +ATOM 84 CA ALA A 84 277.798 228.247 267.894 1.00 0.00 C +TER 85 ALA A 84 +END diff --git a/Viruses/Q0QZD2/Q0QZD2.dcd b/Viruses/Q0QZD2/Q0QZD2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..575552c48d4baf46806745e00652a4f45eb2575d --- /dev/null +++ b/Viruses/Q0QZD2/Q0QZD2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e183e396d6694286acf89d3b83778da9f555a3e8e96bda74b48c7183bdfb563b +size 6560276 diff --git a/Viruses/Q0QZD2/top.pdb b/Viruses/Q0QZD2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..482af58d9561b820b2b02737a949f259d181ead3 --- /dev/null +++ b/Viruses/Q0QZD2/top.pdb @@ -0,0 +1,52 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 251.833 262.835 258.711 1.00 0.00 C +ATOM 2 CA ALA A 2 252.366 259.067 258.894 1.00 0.00 C +ATOM 3 CA THR A 3 253.318 256.487 256.257 1.00 0.00 C +ATOM 4 CA ARG A 4 252.250 253.624 253.981 1.00 0.00 C +ATOM 5 CA SER A 5 248.852 254.066 252.315 1.00 0.00 C +ATOM 6 CA LYS A 6 248.421 255.377 248.764 1.00 0.00 C +ATOM 7 CA SER A 7 249.426 257.774 245.978 1.00 0.00 C +ATOM 8 CA LEU A 8 250.372 261.003 244.191 1.00 0.00 C +ATOM 9 CA SER A 9 253.453 262.372 245.965 1.00 0.00 C +ATOM 10 CA GLY A 10 254.611 264.298 249.041 1.00 0.00 C +ATOM 11 CA GLY A 11 252.849 263.217 252.241 1.00 0.00 C +ATOM 12 CA LYS A 12 249.142 262.338 252.175 1.00 0.00 C +ATOM 13 CA LEU A 13 245.556 263.319 253.009 1.00 0.00 C +ATOM 14 CA ILE A 14 242.827 261.620 250.965 1.00 0.00 C +ATOM 15 CA GLU A 15 240.009 263.281 249.011 1.00 0.00 C +ATOM 16 CA SER A 16 237.177 262.355 246.637 1.00 0.00 C +ATOM 17 CA LYS A 17 236.207 258.763 245.816 1.00 0.00 C +ATOM 18 CA PRO A 18 233.840 258.114 242.902 1.00 0.00 C +ATOM 19 CA LYS A 19 233.157 256.910 239.352 1.00 0.00 C +ATOM 20 CA LYS A 20 233.988 253.214 238.951 1.00 0.00 C +ATOM 21 CA THR A 21 231.314 251.166 237.169 1.00 0.00 C +ATOM 22 CA ARG A 22 232.868 248.173 235.396 1.00 0.00 C +ATOM 23 CA GLN A 23 235.935 246.185 234.321 1.00 0.00 C +ATOM 24 CA GLY A 24 238.464 245.247 237.013 1.00 0.00 C +ATOM 25 CA MET A 25 236.545 244.893 240.285 1.00 0.00 C +ATOM 26 CA GLY A 26 233.851 243.495 242.587 1.00 0.00 C +ATOM 27 CA GLN A 27 233.936 239.982 244.058 1.00 0.00 C +ATOM 28 CA HIS A 28 237.168 239.124 245.886 1.00 0.00 C +ATOM 29 CA THR A 29 238.888 242.467 246.503 1.00 0.00 C +ATOM 30 CA LYS A 30 240.829 243.662 249.555 1.00 0.00 C +ATOM 31 CA LEU A 31 241.484 247.390 249.994 1.00 0.00 C +ATOM 32 CA SER A 32 245.081 248.574 249.567 1.00 0.00 C +ATOM 33 CA ALA A 33 248.074 248.602 247.210 1.00 0.00 C +ATOM 34 CA THR A 34 251.777 249.197 247.881 1.00 0.00 C +ATOM 35 CA SER A 35 255.392 250.152 248.613 1.00 0.00 C +ATOM 36 CA ARG A 36 257.926 252.996 248.600 1.00 0.00 C +ATOM 37 CA ASN A 37 261.163 252.738 250.593 1.00 0.00 C +ATOM 38 CA GLY A 38 262.536 249.764 252.538 1.00 0.00 C +ATOM 39 CA ALA A 39 262.204 246.576 254.599 1.00 0.00 C +ATOM 40 CA LYS A 40 262.594 243.082 256.066 1.00 0.00 C +ATOM 41 CA LYS A 41 264.948 240.088 256.168 1.00 0.00 C +ATOM 42 CA ARG A 42 267.407 237.625 257.719 1.00 0.00 C +ATOM 43 CA TYR A 43 269.060 237.265 261.133 1.00 0.00 C +ATOM 44 CA ARG A 44 269.931 234.126 263.110 1.00 0.00 C +ATOM 45 CA GLY A 45 271.334 233.028 266.477 1.00 0.00 C +ATOM 46 CA GLN A 46 274.467 230.872 266.237 1.00 0.00 C +ATOM 47 CA GLY A 47 277.876 231.105 264.553 1.00 0.00 C +ATOM 48 CA LYS A 48 277.293 232.392 261.014 1.00 0.00 C +TER 49 LYS A 48 +END diff --git a/Viruses/Q0QZH2/Q0QZH2.dcd b/Viruses/Q0QZH2/Q0QZH2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c2e9c306bd88b035a85e8eb4865ee2420c04cfe5 --- /dev/null +++ b/Viruses/Q0QZH2/Q0QZH2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:466942e19ba28bd36d196400d28684270cc02a3a36a8940b62c98b12506c21fe +size 8240276 diff --git a/Viruses/Q0QZH2/top.pdb b/Viruses/Q0QZH2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8523e9439e9d5e81bb03d7e4f7b42b05ba71d317 --- /dev/null +++ b/Viruses/Q0QZH2/top.pdb @@ -0,0 +1,66 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 241.984 277.901 212.034 1.00 0.00 C +ATOM 2 CA GLY A 2 239.066 278.684 214.355 1.00 0.00 C +ATOM 3 CA LYS A 3 238.168 282.181 215.571 1.00 0.00 C +ATOM 4 CA THR A 4 237.980 282.234 219.376 1.00 0.00 C +ATOM 5 CA PHE A 5 239.573 279.930 221.959 1.00 0.00 C +ATOM 6 CA ARG A 6 240.136 276.301 220.944 1.00 0.00 C +ATOM 7 CA ARG A 7 241.805 274.002 223.482 1.00 0.00 C +ATOM 8 CA GLY A 8 239.453 271.113 224.282 1.00 0.00 C +ATOM 9 CA GLY A 9 236.652 270.030 226.626 1.00 0.00 C +ATOM 10 CA ASN A 10 237.566 268.396 229.944 1.00 0.00 C +ATOM 11 CA GLU A 11 239.020 265.905 232.433 1.00 0.00 C +ATOM 12 CA ARG A 12 242.764 265.386 231.957 1.00 0.00 C +ATOM 13 CA GLY A 13 245.590 264.949 229.439 1.00 0.00 C +ATOM 14 CA TYR A 14 249.018 263.489 228.643 1.00 0.00 C +ATOM 15 CA TYR A 15 252.107 262.588 226.603 1.00 0.00 C +ATOM 16 CA SER A 16 253.257 259.248 228.030 1.00 0.00 C +ATOM 17 CA PRO A 17 251.426 255.991 227.282 1.00 0.00 C +ATOM 18 CA GLY A 18 249.493 255.052 230.428 1.00 0.00 C +ATOM 19 CA LYS A 19 248.513 256.864 233.633 1.00 0.00 C +ATOM 20 CA SER A 20 250.625 256.974 236.802 1.00 0.00 C +ATOM 21 CA LEU A 21 254.204 256.021 235.906 1.00 0.00 C +ATOM 22 CA ARG A 22 257.447 258.018 235.818 1.00 0.00 C +ATOM 23 CA ASP A 23 259.771 256.983 238.654 1.00 0.00 C +ATOM 24 CA LYS A 24 259.655 255.887 242.302 1.00 0.00 C +ATOM 25 CA ARG A 25 261.603 256.690 245.476 1.00 0.00 C +ATOM 26 CA GLN A 26 261.049 259.148 248.334 1.00 0.00 C +ATOM 27 CA ARG A 27 261.947 257.830 251.794 1.00 0.00 C +ATOM 28 CA GLY A 28 265.343 258.748 253.258 1.00 0.00 C +ATOM 29 CA THR A 29 266.708 255.837 255.302 1.00 0.00 C +ATOM 30 CA ASN A 30 264.600 252.678 254.995 1.00 0.00 C +ATOM 31 CA ARG A 31 265.119 250.924 251.653 1.00 0.00 C +ATOM 32 CA ASN A 32 266.272 247.479 250.503 1.00 0.00 C +ATOM 33 CA TRP A 33 265.758 245.437 247.328 1.00 0.00 C +ATOM 34 CA GLU A 34 264.618 241.816 247.651 1.00 0.00 C +ATOM 35 CA TYR A 35 262.169 239.143 248.825 1.00 0.00 C +ATOM 36 CA ASP A 36 259.117 239.310 251.100 1.00 0.00 C +ATOM 37 CA GLU A 37 258.771 239.266 254.894 1.00 0.00 C +ATOM 38 CA SER A 38 257.925 236.049 256.751 1.00 0.00 C +ATOM 39 CA SER A 39 260.355 234.230 259.054 1.00 0.00 C +ATOM 40 CA TYR A 40 262.919 231.538 259.886 1.00 0.00 C +ATOM 41 CA SER A 41 261.833 229.010 262.521 1.00 0.00 C +ATOM 42 CA MET A 42 259.461 226.422 264.003 1.00 0.00 C +ATOM 43 CA LYS A 43 257.810 223.832 261.748 1.00 0.00 C +ATOM 44 CA ASP A 44 254.272 222.420 261.698 1.00 0.00 C +ATOM 45 CA THR A 45 250.943 220.865 260.690 1.00 0.00 C +ATOM 46 CA SER A 46 248.217 222.389 262.873 1.00 0.00 C +ATOM 47 CA LYS A 47 249.208 224.769 265.679 1.00 0.00 C +ATOM 48 CA LYS A 48 251.197 228.014 265.518 1.00 0.00 C +ATOM 49 CA LYS A 49 252.173 231.108 267.515 1.00 0.00 C +ATOM 50 CA LYS A 50 251.430 233.910 269.988 1.00 0.00 C +ATOM 51 CA TYR A 51 248.962 235.975 272.028 1.00 0.00 C +ATOM 52 CA LYS A 52 246.187 237.670 274.014 1.00 0.00 C +ATOM 53 CA ASP A 53 247.841 240.709 275.610 1.00 0.00 C +ATOM 54 CA SER A 54 246.714 243.950 277.266 1.00 0.00 C +ATOM 55 CA MET A 55 244.481 244.821 280.227 1.00 0.00 C +ATOM 56 CA ASP A 56 240.738 244.133 280.406 1.00 0.00 C +ATOM 57 CA ILE A 57 238.476 241.297 281.569 1.00 0.00 C +ATOM 58 CA GLU A 58 234.823 241.394 282.646 1.00 0.00 C +ATOM 59 CA GLU A 59 231.138 240.525 283.077 1.00 0.00 C +ATOM 60 CA GLY A 60 228.227 242.828 283.937 1.00 0.00 C +ATOM 61 CA TRP A 61 224.667 241.839 283.007 1.00 0.00 C +ATOM 62 CA ALA A 62 221.654 241.871 280.676 1.00 0.00 C +TER 63 ALA A 62 +END diff --git a/Viruses/Q0WY62/Q0WY62.dcd b/Viruses/Q0WY62/Q0WY62.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e9cbfe70cb5629a181184adcc238082198c02c9e --- /dev/null +++ b/Viruses/Q0WY62/Q0WY62.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0916ca4e3d9cc75d72c2224a0e6c18aa1cd48a6d2e1a82f22612ef99ec7ec00e +size 4880276 diff --git a/Viruses/Q0WY62/top.pdb b/Viruses/Q0WY62/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..650caed63b70cd00db39029a83103223a3af6a00 --- /dev/null +++ b/Viruses/Q0WY62/top.pdb @@ -0,0 +1,38 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 250.899 245.621 251.126 1.00 0.00 C +ATOM 2 CA LYS A 2 249.101 245.847 254.477 1.00 0.00 C +ATOM 3 CA MET A 3 249.783 242.539 256.239 1.00 0.00 C +ATOM 4 CA ALA A 4 252.596 240.215 257.335 1.00 0.00 C +ATOM 5 CA SER A 5 255.003 237.621 255.923 1.00 0.00 C +ATOM 6 CA ASN A 6 258.655 237.962 256.951 1.00 0.00 C +ATOM 7 CA ASP A 7 262.305 237.035 257.534 1.00 0.00 C +ATOM 8 CA ALA A 8 264.499 234.038 256.687 1.00 0.00 C +ATOM 9 CA THR A 9 263.502 230.361 256.775 1.00 0.00 C +ATOM 10 CA PRO A 10 260.695 228.482 255.012 1.00 0.00 C +ATOM 11 CA SER A 11 259.699 230.230 251.777 1.00 0.00 C +ATOM 12 CA ASN A 12 260.531 233.355 249.762 1.00 0.00 C +ATOM 13 CA ASP A 13 259.515 236.825 248.561 1.00 0.00 C +ATOM 14 CA GLY A 14 259.999 240.386 247.296 1.00 0.00 C +ATOM 15 CA ALA A 15 258.013 243.569 247.960 1.00 0.00 C +ATOM 16 CA ALA A 16 259.217 246.859 246.463 1.00 0.00 C +ATOM 17 CA GLY A 17 257.045 249.949 245.962 1.00 0.00 C +ATOM 18 CA LEU A 18 254.038 250.727 243.756 1.00 0.00 C +ATOM 19 CA VAL A 19 250.295 250.060 244.002 1.00 0.00 C +ATOM 20 CA PRO A 20 247.177 248.965 242.106 1.00 0.00 C +ATOM 21 CA GLU A 21 244.185 250.512 243.888 1.00 0.00 C +ATOM 22 CA SER A 22 245.117 252.484 247.012 1.00 0.00 C +ATOM 23 CA ASN A 23 242.844 253.152 249.996 1.00 0.00 C +ATOM 24 CA ASN A 24 244.218 256.095 251.989 1.00 0.00 C +ATOM 25 CA GLU A 25 245.338 259.519 250.748 1.00 0.00 C +ATOM 26 CA ALA A 26 242.841 261.814 249.012 1.00 0.00 C +ATOM 27 CA MET A 27 244.562 265.168 248.457 1.00 0.00 C +ATOM 28 CA ALA A 28 243.455 268.711 249.315 1.00 0.00 C +ATOM 29 CA LEU A 29 241.174 271.230 247.593 1.00 0.00 C +ATOM 30 CA GLU A 30 238.233 273.142 249.081 1.00 0.00 C +ATOM 31 CA PRO A 31 234.645 273.578 247.876 1.00 0.00 C +ATOM 32 CA VAL A 32 232.047 270.800 247.654 1.00 0.00 C +ATOM 33 CA VAL A 33 232.715 267.245 246.457 1.00 0.00 C +ATOM 34 CA GLY A 34 236.059 265.907 245.214 1.00 0.00 C +TER 35 GLY A 34 +END diff --git a/Viruses/Q102Z0/Q102Z0.dcd b/Viruses/Q102Z0/Q102Z0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..70def9a7c17ebe8c7672171ffd5e5b28da94221f --- /dev/null +++ b/Viruses/Q102Z0/Q102Z0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:40f0dead3bff9e88af74ebe39970a36e519b0d137e3229702d77a8994171d795 +size 4760276 diff --git a/Viruses/Q102Z0/top.pdb b/Viruses/Q102Z0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..57849481bdb849409e1383eff09799ee5ed9759d --- /dev/null +++ b/Viruses/Q102Z0/top.pdb @@ -0,0 +1,37 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLN A 1 249.778 259.101 261.134 1.00 0.00 C +ATOM 2 CA HIS A 2 251.910 261.962 259.799 1.00 0.00 C +ATOM 3 CA PRO A 3 253.324 263.811 262.815 1.00 0.00 C +ATOM 4 CA ALA A 4 254.583 264.998 266.209 1.00 0.00 C +ATOM 5 CA CYS A 5 252.003 264.566 268.979 1.00 0.00 C +ATOM 6 CA LEU A 6 251.713 260.821 269.613 1.00 0.00 C +ATOM 7 CA HIS A 7 252.433 258.413 266.749 1.00 0.00 C +ATOM 8 CA ARG A 8 255.669 257.608 264.906 1.00 0.00 C +ATOM 9 CA VAL A 9 255.964 253.841 264.411 1.00 0.00 C +ATOM 10 CA ILE A 10 253.659 250.810 264.284 1.00 0.00 C +ATOM 11 CA SER A 11 252.144 247.581 262.947 1.00 0.00 C +ATOM 12 CA ASN A 12 253.747 245.742 260.020 1.00 0.00 C +ATOM 13 CA PRO A 13 254.684 243.683 256.954 1.00 0.00 C +ATOM 14 CA PRO A 14 256.650 245.949 254.605 1.00 0.00 C +ATOM 15 CA PRO A 15 255.232 245.477 251.100 1.00 0.00 C +ATOM 16 CA LYS A 16 251.799 244.161 250.103 1.00 0.00 C +ATOM 17 CA THR A 17 250.518 245.268 246.689 1.00 0.00 C +ATOM 18 CA LEU A 18 250.524 244.006 243.095 1.00 0.00 C +ATOM 19 CA PRO A 19 248.073 243.384 240.245 1.00 0.00 C +ATOM 20 CA HIS A 20 246.555 240.628 238.095 1.00 0.00 C +ATOM 21 CA SER A 21 242.915 239.798 237.334 1.00 0.00 C +ATOM 22 CA PRO A 22 240.055 241.645 235.624 1.00 0.00 C +ATOM 23 CA THR A 23 238.718 245.201 235.906 1.00 0.00 C +ATOM 24 CA HIS A 24 239.175 246.202 239.554 1.00 0.00 C +ATOM 25 CA ASN A 25 239.272 249.810 240.774 1.00 0.00 C +ATOM 26 CA PRO A 26 241.555 251.585 243.255 1.00 0.00 C +ATOM 27 CA ALA A 27 245.125 251.210 241.978 1.00 0.00 C +ATOM 28 CA TRP A 28 247.961 249.809 239.854 1.00 0.00 C +ATOM 29 CA PRO A 29 247.635 249.289 236.094 1.00 0.00 C +ATOM 30 CA ASN A 30 251.135 249.192 234.592 1.00 0.00 C +ATOM 31 CA GLN A 31 254.022 247.536 236.448 1.00 0.00 C +ATOM 32 CA GLN A 32 255.107 244.907 238.982 1.00 0.00 C +ATOM 33 CA GLU A 33 256.363 242.007 236.854 1.00 0.00 C +TER 34 GLU A 33 +END diff --git a/Viruses/Q102Z1/Q102Z1.dcd b/Viruses/Q102Z1/Q102Z1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e8edb412a9f7d089ee4a39397c26f42be97225b1 --- /dev/null +++ b/Viruses/Q102Z1/Q102Z1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a94282a655ef42d80e77ed332e6b58458964a78eb9c1605d657175ca940e9922 +size 4760276 diff --git a/Viruses/Q102Z1/top.pdb b/Viruses/Q102Z1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b949803e718758db2fd59ef7417f09c57cce8125 --- /dev/null +++ b/Viruses/Q102Z1/top.pdb @@ -0,0 +1,37 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ASN A 1 248.977 252.407 240.740 1.00 0.00 C +ATOM 2 CA THR A 2 247.422 255.656 239.496 1.00 0.00 C +ATOM 3 CA GLN A 3 244.022 257.335 239.869 1.00 0.00 C +ATOM 4 CA PRO A 4 241.772 257.371 242.944 1.00 0.00 C +ATOM 5 CA ALA A 5 242.448 254.217 244.971 1.00 0.00 C +ATOM 6 CA LEU A 6 243.696 252.186 247.943 1.00 0.00 C +ATOM 7 CA THR A 7 243.523 254.298 251.110 1.00 0.00 C +ATOM 8 CA GLY A 8 241.249 252.792 253.770 1.00 0.00 C +ATOM 9 CA PRO A 9 237.871 254.554 253.741 1.00 0.00 C +ATOM 10 CA SER A 10 236.119 257.287 255.735 1.00 0.00 C +ATOM 11 CA GLN A 11 236.766 257.784 259.456 1.00 0.00 C +ATOM 12 CA THR A 12 238.144 254.977 261.633 1.00 0.00 C +ATOM 13 CA LEU A 13 241.435 253.741 263.101 1.00 0.00 C +ATOM 14 CA CYS A 14 244.541 253.686 260.895 1.00 0.00 C +ATOM 15 CA PRO A 15 246.235 254.258 257.531 1.00 0.00 C +ATOM 16 CA LYS A 16 248.652 256.390 255.499 1.00 0.00 C +ATOM 17 CA LEU A 17 250.704 258.087 252.774 1.00 0.00 C +ATOM 18 CA SER A 18 250.445 256.937 249.152 1.00 0.00 C +ATOM 19 CA HIS A 19 249.887 253.455 247.708 1.00 0.00 C +ATOM 20 CA THR A 20 249.345 249.944 246.331 1.00 0.00 C +ATOM 21 CA PRO A 21 251.139 247.186 248.251 1.00 0.00 C +ATOM 22 CA GLN A 22 250.389 243.618 249.357 1.00 0.00 C +ATOM 23 CA LEU A 23 248.361 240.429 248.873 1.00 0.00 C +ATOM 24 CA THR A 24 250.041 238.372 246.140 1.00 0.00 C +ATOM 25 CA ILE A 25 252.288 237.279 243.264 1.00 0.00 C +ATOM 26 CA PRO A 26 255.423 239.443 243.284 1.00 0.00 C +ATOM 27 CA HIS A 27 258.998 240.273 242.262 1.00 0.00 C +ATOM 28 CA ASN A 28 261.622 242.230 244.212 1.00 0.00 C +ATOM 29 CA LYS A 29 263.182 244.655 246.702 1.00 0.00 C +ATOM 30 CA THR A 30 265.005 245.633 249.901 1.00 0.00 C +ATOM 31 CA LYS A 31 267.895 245.151 252.337 1.00 0.00 C +ATOM 32 CA LYS A 32 271.423 244.888 253.752 1.00 0.00 C +ATOM 33 CA SER A 33 270.980 243.481 257.265 1.00 0.00 C +TER 34 SER A 33 +END diff --git a/Viruses/Q102Z2/Q102Z2.dcd b/Viruses/Q102Z2/Q102Z2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..1b4320b74d0f440d0cc836fe320ed71d18bf8e4c --- /dev/null +++ b/Viruses/Q102Z2/Q102Z2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:95e245b486dfebbbcb7c4227906c15ac9bb8dc91374e4246fead52d4bf966b35 +size 4760276 diff --git a/Viruses/Q102Z2/top.pdb b/Viruses/Q102Z2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..17d3f3fe8b08d5d3b1e0ad80e4ad18a0ad75fa7b --- /dev/null +++ b/Viruses/Q102Z2/top.pdb @@ -0,0 +1,37 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ASN A 1 236.930 258.515 240.859 1.00 0.00 C +ATOM 2 CA THR A 2 235.329 255.383 239.397 1.00 0.00 C +ATOM 3 CA GLN A 3 237.153 252.517 241.123 1.00 0.00 C +ATOM 4 CA PRO A 4 240.888 252.971 240.522 1.00 0.00 C +ATOM 5 CA ALA A 5 244.153 251.900 242.166 1.00 0.00 C +ATOM 6 CA PHE A 6 244.160 251.980 245.975 1.00 0.00 C +ATOM 7 CA THR A 7 241.104 252.172 248.242 1.00 0.00 C +ATOM 8 CA GLY A 8 241.910 252.613 251.939 1.00 0.00 C +ATOM 9 CA SER A 9 244.736 251.845 254.376 1.00 0.00 C +ATOM 10 CA HIS A 10 247.715 253.305 256.252 1.00 0.00 C +ATOM 11 CA GLN A 11 249.178 254.763 259.453 1.00 0.00 C +ATOM 12 CA THR A 12 252.582 256.363 260.064 1.00 0.00 C +ATOM 13 CA LEU A 13 255.971 256.238 258.328 1.00 0.00 C +ATOM 14 CA ARG A 14 256.303 256.748 254.567 1.00 0.00 C +ATOM 15 CA SER A 15 258.906 257.939 252.052 1.00 0.00 C +ATOM 16 CA LYS A 16 261.331 256.010 249.836 1.00 0.00 C +ATOM 17 CA PRO A 17 264.023 253.337 250.188 1.00 0.00 C +ATOM 18 CA SER A 18 264.420 249.721 249.055 1.00 0.00 C +ATOM 19 CA HIS A 19 266.206 249.005 245.767 1.00 0.00 C +ATOM 20 CA THR A 20 266.329 246.281 243.105 1.00 0.00 C +ATOM 21 CA PRO A 21 263.991 245.389 240.232 1.00 0.00 C +ATOM 22 CA ARG A 22 261.845 242.371 241.127 1.00 0.00 C +ATOM 23 CA PRO A 23 260.624 242.926 244.693 1.00 0.00 C +ATOM 24 CA THR A 24 258.549 244.974 247.146 1.00 0.00 C +ATOM 25 CA ILE A 25 256.680 243.291 250.008 1.00 0.00 C +ATOM 26 CA PRO A 26 253.134 244.153 251.101 1.00 0.00 C +ATOM 27 CA HIS A 27 249.739 245.624 252.012 1.00 0.00 C +ATOM 28 CA ASP A 28 245.967 245.797 252.517 1.00 0.00 C +ATOM 29 CA HIS A 29 243.860 244.538 255.432 1.00 0.00 C +ATOM 30 CA THR A 30 240.158 244.801 254.571 1.00 0.00 C +ATOM 31 CA ASN A 31 236.744 245.511 256.105 1.00 0.00 C +ATOM 32 CA LYS A 32 235.088 246.576 259.367 1.00 0.00 C +ATOM 33 CA SER A 33 234.295 244.443 262.423 1.00 0.00 C +TER 34 SER A 33 +END diff --git a/Viruses/Q102Z3/Q102Z3.dcd b/Viruses/Q102Z3/Q102Z3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d53a6f63b63e2f212c09893645dc3abc00350c6a --- /dev/null +++ b/Viruses/Q102Z3/Q102Z3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:71d3a9cddabb7e57515150368e0140d61d49d6408ea46087203baa2e77cbb58a +size 4760276 diff --git a/Viruses/Q102Z3/top.pdb b/Viruses/Q102Z3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f5793bc41d3852d949ba5d5e01766b343610b930 --- /dev/null +++ b/Viruses/Q102Z3/top.pdb @@ -0,0 +1,37 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLN A 1 253.195 244.114 222.761 1.00 0.00 C +ATOM 2 CA HIS A 2 250.336 246.575 223.292 1.00 0.00 C +ATOM 3 CA SER A 3 249.384 247.319 226.905 1.00 0.00 C +ATOM 4 CA ALA A 4 247.164 247.397 230.000 1.00 0.00 C +ATOM 5 CA CYS A 5 246.374 250.751 231.625 1.00 0.00 C +ATOM 6 CA LEU A 6 249.370 251.827 233.719 1.00 0.00 C +ATOM 7 CA HIS A 7 249.048 250.928 237.408 1.00 0.00 C +ATOM 8 CA ARG A 8 250.624 252.265 240.608 1.00 0.00 C +ATOM 9 CA VAL A 9 248.848 254.581 243.057 1.00 0.00 C +ATOM 10 CA ILE A 10 246.357 257.378 242.358 1.00 0.00 C +ATOM 11 CA PRO A 11 243.079 258.310 240.653 1.00 0.00 C +ATOM 12 CA ASN A 12 241.840 256.341 237.635 1.00 0.00 C +ATOM 13 CA LEU A 13 240.892 252.777 238.592 1.00 0.00 C +ATOM 14 CA PRO A 14 239.563 250.120 240.977 1.00 0.00 C +ATOM 15 CA PRO A 15 240.063 249.266 244.656 1.00 0.00 C +ATOM 16 CA GLU A 16 242.641 250.599 247.125 1.00 0.00 C +ATOM 17 CA PRO A 17 245.524 250.893 249.598 1.00 0.00 C +ATOM 18 CA LEU A 18 244.051 251.275 253.091 1.00 0.00 C +ATOM 19 CA PRO A 19 243.736 254.803 254.494 1.00 0.00 C +ATOM 20 CA ASN A 20 245.757 256.022 257.486 1.00 0.00 C +ATOM 21 CA SER A 21 245.313 256.815 261.185 1.00 0.00 C +ATOM 22 CA PRO A 22 246.527 254.259 263.737 1.00 0.00 C +ATOM 23 CA ILE A 23 245.661 251.685 266.408 1.00 0.00 C +ATOM 24 CA HIS A 24 247.718 248.559 265.692 1.00 0.00 C +ATOM 25 CA SER A 25 247.969 245.462 267.896 1.00 0.00 C +ATOM 26 CA PRO A 26 251.453 244.032 268.470 1.00 0.00 C +ATOM 27 CA ALA A 27 254.661 246.084 268.359 1.00 0.00 C +ATOM 28 CA TRP A 28 258.387 245.709 267.654 1.00 0.00 C +ATOM 29 CA PRO A 29 260.634 245.140 264.631 1.00 0.00 C +ATOM 30 CA ASN A 30 263.995 246.304 263.265 1.00 0.00 C +ATOM 31 CA GLN A 31 267.174 245.946 265.335 1.00 0.00 C +ATOM 32 CA GLN A 32 270.847 244.972 265.061 1.00 0.00 C +ATOM 33 CA GLU A 33 271.817 241.489 266.263 1.00 0.00 C +TER 34 GLU A 33 +END diff --git a/Viruses/Q102Z5/Q102Z5.dcd b/Viruses/Q102Z5/Q102Z5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..90f5d9db09116cf7d33c8d1988fc86be6a149a1e --- /dev/null +++ b/Viruses/Q102Z5/Q102Z5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:afd6291c0ffb9ecaa9aa542e01f874addccfedf35d6450eaa30e93c82b299c0a +size 4760276 diff --git a/Viruses/Q102Z5/top.pdb b/Viruses/Q102Z5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..454755ac2f2fc5ab79d8165acc37696847d2be8b --- /dev/null +++ b/Viruses/Q102Z5/top.pdb @@ -0,0 +1,37 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLN A 1 247.358 238.323 266.082 1.00 0.00 C +ATOM 2 CA HIS A 2 247.624 234.707 264.912 1.00 0.00 C +ATOM 3 CA PRO A 3 248.611 234.747 261.232 1.00 0.00 C +ATOM 4 CA ALA A 4 248.406 237.901 259.105 1.00 0.00 C +ATOM 5 CA ARG A 5 248.300 238.597 255.360 1.00 0.00 C +ATOM 6 CA PRO A 6 247.669 242.167 254.189 1.00 0.00 C +ATOM 7 CA HIS A 7 247.454 244.049 250.884 1.00 0.00 C +ATOM 8 CA ARG A 8 246.203 241.796 248.078 1.00 0.00 C +ATOM 9 CA ALA A 9 247.622 240.987 244.636 1.00 0.00 C +ATOM 10 CA ALA A 10 249.311 244.053 243.133 1.00 0.00 C +ATOM 11 CA PRO A 11 251.276 245.757 240.348 1.00 0.00 C +ATOM 12 CA ASN A 12 253.807 248.398 239.285 1.00 0.00 C +ATOM 13 CA HIS A 13 256.130 250.773 241.150 1.00 0.00 C +ATOM 14 CA PRO A 14 257.385 253.654 238.996 1.00 0.00 C +ATOM 15 CA PRO A 15 256.044 257.122 239.825 1.00 0.00 C +ATOM 16 CA ARG A 16 257.830 260.452 239.336 1.00 0.00 C +ATOM 17 CA PRO A 17 259.191 262.678 242.112 1.00 0.00 C +ATOM 18 CA LEU A 18 257.715 264.988 244.759 1.00 0.00 C +ATOM 19 CA PRO A 19 257.269 264.778 248.537 1.00 0.00 C +ATOM 20 CA ASN A 20 256.966 261.509 250.470 1.00 0.00 C +ATOM 21 CA HIS A 21 256.146 260.038 253.888 1.00 0.00 C +ATOM 22 CA PRO A 22 257.127 256.596 255.195 1.00 0.00 C +ATOM 23 CA THR A 23 254.317 254.768 257.006 1.00 0.00 C +ATOM 24 CA HIS A 24 252.417 251.494 257.437 1.00 0.00 C +ATOM 25 CA ARG A 25 248.622 251.831 257.458 1.00 0.00 C +ATOM 26 CA PRO A 26 246.005 254.291 258.727 1.00 0.00 C +ATOM 27 CA THR A 27 242.580 253.517 257.248 1.00 0.00 C +ATOM 28 CA TRP A 28 243.003 251.222 254.236 1.00 0.00 C +ATOM 29 CA PRO A 29 244.383 249.473 251.145 1.00 0.00 C +ATOM 30 CA ASN A 30 243.260 251.314 248.005 1.00 0.00 C +ATOM 31 CA ARG A 31 240.704 251.505 245.185 1.00 0.00 C +ATOM 32 CA LYS A 32 240.811 249.348 242.047 1.00 0.00 C +ATOM 33 CA GLU A 33 238.452 247.169 239.996 1.00 0.00 C +TER 34 GLU A 33 +END diff --git a/Viruses/Q102Z6/Q102Z6.dcd b/Viruses/Q102Z6/Q102Z6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d4e9b72b2af9a66681ab1f944572c2ebebb71bcb --- /dev/null +++ b/Viruses/Q102Z6/Q102Z6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:770960477217abc7ccd52dcaf5d52791a3ed37c9bbfb09c75358e2e33abe9400 +size 4760276 diff --git a/Viruses/Q102Z6/top.pdb b/Viruses/Q102Z6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8a5332ba4528f98914e2ed2f5aceecc2bf102de4 --- /dev/null +++ b/Viruses/Q102Z6/top.pdb @@ -0,0 +1,37 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLN A 1 231.370 231.487 250.081 1.00 0.00 C +ATOM 2 CA HIS A 2 234.755 230.040 249.100 1.00 0.00 C +ATOM 3 CA SER A 3 236.765 232.874 247.538 1.00 0.00 C +ATOM 4 CA VAL A 4 238.257 236.380 247.512 1.00 0.00 C +ATOM 5 CA CYS A 5 241.189 238.168 245.862 1.00 0.00 C +ATOM 6 CA LEU A 6 243.292 238.748 242.738 1.00 0.00 C +ATOM 7 CA HIS A 7 246.028 240.972 241.293 1.00 0.00 C +ATOM 8 CA ARG A 8 247.830 242.749 238.446 1.00 0.00 C +ATOM 9 CA VAL A 9 245.383 244.743 236.312 1.00 0.00 C +ATOM 10 CA ILE A 10 244.981 246.835 233.153 1.00 0.00 C +ATOM 11 CA PRO A 11 245.467 250.613 233.248 1.00 0.00 C +ATOM 12 CA ASN A 12 242.550 252.111 235.188 1.00 0.00 C +ATOM 13 CA PRO A 13 243.413 253.292 238.706 1.00 0.00 C +ATOM 14 CA PRO A 14 242.885 253.151 242.476 1.00 0.00 C +ATOM 15 CA PRO A 15 245.093 254.598 245.224 1.00 0.00 C +ATOM 16 CA GLU A 16 246.915 252.583 247.895 1.00 0.00 C +ATOM 17 CA PRO A 17 249.417 249.760 247.364 1.00 0.00 C +ATOM 18 CA PHE A 18 250.998 250.554 243.990 1.00 0.00 C +ATOM 19 CA PRO A 19 251.317 254.224 243.017 1.00 0.00 C +ATOM 20 CA ASP A 20 253.480 256.865 244.709 1.00 0.00 C +ATOM 21 CA SER A 21 255.618 259.841 245.752 1.00 0.00 C +ATOM 22 CA PRO A 22 258.915 260.219 247.625 1.00 0.00 C +ATOM 23 CA ILE A 23 261.198 258.622 250.224 1.00 0.00 C +ATOM 24 CA HIS A 24 259.944 255.329 251.671 1.00 0.00 C +ATOM 25 CA ARG A 25 258.123 255.110 255.010 1.00 0.00 C +ATOM 26 CA CYS A 26 259.452 256.369 258.352 1.00 0.00 C +ATOM 27 CA ALA A 27 261.485 256.013 261.554 1.00 0.00 C +ATOM 28 CA ARG A 28 261.366 258.704 264.248 1.00 0.00 C +ATOM 29 CA PRO A 29 262.128 257.011 267.575 1.00 0.00 C +ATOM 30 CA ASN A 30 259.376 254.546 268.505 1.00 0.00 C +ATOM 31 CA GLN A 31 257.365 254.344 271.734 1.00 0.00 C +ATOM 32 CA GLN A 32 257.037 256.031 275.135 1.00 0.00 C +ATOM 33 CA GLU A 33 256.609 257.114 278.763 1.00 0.00 C +TER 34 GLU A 33 +END diff --git a/Viruses/Q102Z7/Q102Z7.dcd b/Viruses/Q102Z7/Q102Z7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..15cbe8f87ef0646e7a34646b88d77fefb2302a54 --- /dev/null +++ b/Viruses/Q102Z7/Q102Z7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9d5967a676e2f4583dff218e114ed2a919ee530227c5ed71f28921b9a10da925 +size 4760276 diff --git a/Viruses/Q102Z7/top.pdb b/Viruses/Q102Z7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7a1a5854417d26a209f334665c557345689075be --- /dev/null +++ b/Viruses/Q102Z7/top.pdb @@ -0,0 +1,37 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLN A 1 259.287 252.815 227.274 1.00 0.00 C +ATOM 2 CA HIS A 2 256.349 252.699 229.697 1.00 0.00 C +ATOM 3 CA SER A 3 253.220 254.463 228.427 1.00 0.00 C +ATOM 4 CA ALA A 4 250.607 255.766 230.875 1.00 0.00 C +ATOM 5 CA CYS A 5 248.515 258.003 233.141 1.00 0.00 C +ATOM 6 CA SER A 6 247.709 255.848 236.178 1.00 0.00 C +ATOM 7 CA HIS A 7 245.864 256.689 239.403 1.00 0.00 C +ATOM 8 CA ARG A 8 247.080 259.478 241.696 1.00 0.00 C +ATOM 9 CA VAL A 9 244.811 259.427 244.756 1.00 0.00 C +ATOM 10 CA ALA A 10 242.758 262.193 246.385 1.00 0.00 C +ATOM 11 CA PRO A 11 239.540 263.729 245.044 1.00 0.00 C +ATOM 12 CA ASN A 12 236.702 261.261 245.655 1.00 0.00 C +ATOM 13 CA PRO A 13 233.544 259.130 245.708 1.00 0.00 C +ATOM 14 CA PRO A 14 232.520 256.175 247.884 1.00 0.00 C +ATOM 15 CA PRO A 15 232.193 254.641 251.356 1.00 0.00 C +ATOM 16 CA GLU A 16 232.812 251.532 253.470 1.00 0.00 C +ATOM 17 CA PRO A 17 236.258 250.875 254.956 1.00 0.00 C +ATOM 18 CA LEU A 18 239.436 249.036 253.938 1.00 0.00 C +ATOM 19 CA PRO A 19 242.314 247.806 256.111 1.00 0.00 C +ATOM 20 CA HIS A 20 245.460 249.955 256.091 1.00 0.00 C +ATOM 21 CA SER A 21 248.386 249.342 253.729 1.00 0.00 C +ATOM 22 CA PRO A 22 251.398 247.295 252.609 1.00 0.00 C +ATOM 23 CA THR A 23 254.966 247.997 253.746 1.00 0.00 C +ATOM 24 CA HIS A 24 257.530 245.184 253.917 1.00 0.00 C +ATOM 25 CA SER A 25 260.332 245.788 256.427 1.00 0.00 C +ATOM 26 CA LEU A 26 262.948 244.929 259.060 1.00 0.00 C +ATOM 27 CA ALA A 27 263.412 243.601 262.601 1.00 0.00 C +ATOM 28 CA TRP A 28 265.203 242.824 265.873 1.00 0.00 C +ATOM 29 CA PRO A 29 263.422 239.862 267.476 1.00 0.00 C +ATOM 30 CA SER A 30 261.815 236.422 267.163 1.00 0.00 C +ATOM 31 CA GLN A 31 263.213 232.972 266.351 1.00 0.00 C +ATOM 32 CA GLN A 32 265.137 231.919 263.235 1.00 0.00 C +ATOM 33 CA LYS A 33 265.259 230.346 259.767 1.00 0.00 C +TER 34 LYS A 33 +END diff --git a/Viruses/Q102Z8/Q102Z8.dcd b/Viruses/Q102Z8/Q102Z8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..bb5b0f6d37843ab3b0c39b69c5c484bb2cc121cb --- /dev/null +++ b/Viruses/Q102Z8/Q102Z8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:878e48d1b22c93633f15cf3b7f3b7d9001b16605e60af98f98f00897a6c0d4eb +size 4760276 diff --git a/Viruses/Q102Z8/top.pdb b/Viruses/Q102Z8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..bdc1f541fb43a3ae3ecccd4b2b518866d789985e --- /dev/null +++ b/Viruses/Q102Z8/top.pdb @@ -0,0 +1,37 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLN A 1 216.070 253.541 249.559 1.00 0.00 C +ATOM 2 CA HIS A 2 219.145 252.321 247.670 1.00 0.00 C +ATOM 3 CA PRO A 3 220.364 248.790 246.920 1.00 0.00 C +ATOM 4 CA ALA A 4 222.142 246.734 249.590 1.00 0.00 C +ATOM 5 CA CYS A 5 225.905 246.739 248.989 1.00 0.00 C +ATOM 6 CA PRO A 6 229.102 244.890 249.927 1.00 0.00 C +ATOM 7 CA ASN A 7 231.488 242.447 251.617 1.00 0.00 C +ATOM 8 CA ARG A 8 234.296 243.880 253.755 1.00 0.00 C +ATOM 9 CA VAL A 9 234.748 247.663 253.749 1.00 0.00 C +ATOM 10 CA ALA A 10 235.619 248.614 250.164 1.00 0.00 C +ATOM 11 CA PRO A 11 234.518 250.865 247.294 1.00 0.00 C +ATOM 12 CA ASN A 12 237.368 251.425 244.827 1.00 0.00 C +ATOM 13 CA PRO A 13 239.473 254.192 246.387 1.00 0.00 C +ATOM 14 CA PRO A 14 242.714 256.191 246.262 1.00 0.00 C +ATOM 15 CA PRO A 15 243.911 257.594 249.596 1.00 0.00 C +ATOM 16 CA GLU A 16 243.618 255.847 252.970 1.00 0.00 C +ATOM 17 CA PRO A 17 246.320 255.747 255.655 1.00 0.00 C +ATOM 18 CA LEU A 18 250.004 255.178 254.868 1.00 0.00 C +ATOM 19 CA PRO A 19 253.671 255.837 254.072 1.00 0.00 C +ATOM 20 CA HIS A 20 257.178 256.157 252.618 1.00 0.00 C +ATOM 21 CA SER A 21 259.246 254.119 250.151 1.00 0.00 C +ATOM 22 CA PRO A 22 261.369 251.111 251.133 1.00 0.00 C +ATOM 23 CA THR A 23 263.121 248.770 253.576 1.00 0.00 C +ATOM 24 CA HIS A 24 264.108 248.761 257.256 1.00 0.00 C +ATOM 25 CA SER A 25 267.906 249.022 257.411 1.00 0.00 C +ATOM 26 CA LEU A 26 270.908 249.995 255.278 1.00 0.00 C +ATOM 27 CA ALA A 27 273.548 250.569 252.591 1.00 0.00 C +ATOM 28 CA ARG A 28 275.343 249.293 249.482 1.00 0.00 C +ATOM 29 CA PRO A 29 278.529 247.331 248.761 1.00 0.00 C +ATOM 30 CA SER A 30 279.616 247.641 245.123 1.00 0.00 C +ATOM 31 CA GLN A 31 278.157 245.174 242.613 1.00 0.00 C +ATOM 32 CA GLN A 32 278.459 242.432 239.985 1.00 0.00 C +ATOM 33 CA LYS A 33 282.036 241.129 240.150 1.00 0.00 C +TER 34 LYS A 33 +END diff --git a/Viruses/Q102Z9/Q102Z9.dcd b/Viruses/Q102Z9/Q102Z9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..cc7bf13b513bed7ca2610ff7216d2db6a7d72678 --- /dev/null +++ b/Viruses/Q102Z9/Q102Z9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c040960c28eb07ab8615083acbaf3191b2b1dbc509bb1f2c4ff224b197736003 +size 4760276 diff --git a/Viruses/Q102Z9/top.pdb b/Viruses/Q102Z9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..df7c1f302aff774021811cc7639a35e298dda8ee --- /dev/null +++ b/Viruses/Q102Z9/top.pdb @@ -0,0 +1,37 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LEU A 1 235.857 246.406 254.844 1.00 0.00 C +ATOM 2 CA ARG A 2 234.977 244.513 251.657 1.00 0.00 C +ATOM 3 CA PRO A 3 235.230 243.275 248.062 1.00 0.00 C +ATOM 4 CA ALA A 4 238.928 242.699 247.348 1.00 0.00 C +ATOM 5 CA CYS A 5 242.357 243.578 245.940 1.00 0.00 C +ATOM 6 CA PRO A 6 242.693 244.363 242.227 1.00 0.00 C +ATOM 7 CA TYR A 7 242.351 241.891 239.348 1.00 0.00 C +ATOM 8 CA ARG A 8 241.833 238.514 241.033 1.00 0.00 C +ATOM 9 CA VAL A 9 244.796 236.856 242.762 1.00 0.00 C +ATOM 10 CA ALA A 10 247.184 234.214 244.117 1.00 0.00 C +ATOM 11 CA PRO A 11 249.662 234.031 247.005 1.00 0.00 C +ATOM 12 CA ASN A 12 253.125 233.787 248.575 1.00 0.00 C +ATOM 13 CA PRO A 13 253.840 237.231 250.038 1.00 0.00 C +ATOM 14 CA PRO A 14 253.092 240.417 251.989 1.00 0.00 C +ATOM 15 CA SER A 15 251.446 242.967 254.292 1.00 0.00 C +ATOM 16 CA GLU A 16 251.293 246.590 255.460 1.00 0.00 C +ATOM 17 CA SER A 17 249.859 250.007 254.574 1.00 0.00 C +ATOM 18 CA PHE A 18 251.020 251.266 251.171 1.00 0.00 C +ATOM 19 CA PRO A 19 254.680 250.747 250.250 1.00 0.00 C +ATOM 20 CA HIS A 20 256.814 253.109 248.156 1.00 0.00 C +ATOM 21 CA SER A 21 259.948 254.765 246.760 1.00 0.00 C +ATOM 22 CA PRO A 22 262.364 255.527 249.606 1.00 0.00 C +ATOM 23 CA THR A 23 264.776 254.431 252.345 1.00 0.00 C +ATOM 24 CA HIS A 24 264.186 255.660 255.903 1.00 0.00 C +ATOM 25 CA SER A 25 261.705 258.538 256.179 1.00 0.00 C +ATOM 26 CA SER A 26 261.521 262.081 257.569 1.00 0.00 C +ATOM 27 CA ALA A 27 258.481 264.047 256.383 1.00 0.00 C +ATOM 28 CA TRP A 28 255.276 264.845 254.484 1.00 0.00 C +ATOM 29 CA PRO A 29 253.022 264.973 251.415 1.00 0.00 C +ATOM 30 CA SER A 30 249.388 265.632 250.480 1.00 0.00 C +ATOM 31 CA GLN A 31 245.714 266.361 251.177 1.00 0.00 C +ATOM 32 CA GLN A 32 242.544 264.399 250.393 1.00 0.00 C +ATOM 33 CA LYS A 33 240.038 262.278 248.458 1.00 0.00 C +TER 34 LYS A 33 +END diff --git a/Viruses/Q103A0/Q103A0.dcd b/Viruses/Q103A0/Q103A0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a8ab273896a0f6ae058f6dd34ef8a0ed5154a64f --- /dev/null +++ b/Viruses/Q103A0/Q103A0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:09aae98cf95b1bf837017a27516279611b3cb59cbded8f8da02c3c7cea204a78 +size 4760276 diff --git a/Viruses/Q103A0/top.pdb b/Viruses/Q103A0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..786f3faa8f279933497c699c34ca1948626eaf94 --- /dev/null +++ b/Viruses/Q103A0/top.pdb @@ -0,0 +1,37 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLN A 1 252.884 230.357 227.486 1.00 0.00 C +ATOM 2 CA HIS A 2 256.568 229.454 227.131 1.00 0.00 C +ATOM 3 CA SER A 3 258.716 230.308 230.159 1.00 0.00 C +ATOM 4 CA ALA A 4 256.638 230.477 233.348 1.00 0.00 C +ATOM 5 CA CYS A 5 253.413 230.499 235.377 1.00 0.00 C +ATOM 6 CA PRO A 6 250.841 232.852 236.915 1.00 0.00 C +ATOM 7 CA HIS A 7 249.369 234.877 239.787 1.00 0.00 C +ATOM 8 CA ARG A 8 249.954 236.994 242.900 1.00 0.00 C +ATOM 9 CA VAL A 9 251.614 238.318 246.064 1.00 0.00 C +ATOM 10 CA ALA A 10 253.447 238.547 249.396 1.00 0.00 C +ATOM 11 CA PRO A 11 252.424 240.532 252.483 1.00 0.00 C +ATOM 12 CA ASN A 12 250.822 239.108 255.633 1.00 0.00 C +ATOM 13 CA PRO A 13 252.892 239.452 258.812 1.00 0.00 C +ATOM 14 CA LEU A 14 250.427 239.197 261.706 1.00 0.00 C +ATOM 15 CA SER A 15 248.247 242.060 262.958 1.00 0.00 C +ATOM 16 CA GLU A 16 249.473 244.943 265.127 1.00 0.00 C +ATOM 17 CA PRO A 17 250.498 248.595 265.484 1.00 0.00 C +ATOM 18 CA LEU A 18 249.837 250.745 262.408 1.00 0.00 C +ATOM 19 CA PRO A 19 247.171 253.219 263.544 1.00 0.00 C +ATOM 20 CA TYR A 20 245.157 256.018 265.165 1.00 0.00 C +ATOM 21 CA SER A 21 242.395 256.745 262.644 1.00 0.00 C +ATOM 22 CA PRO A 22 241.684 259.935 260.685 1.00 0.00 C +ATOM 23 CA THR A 23 239.747 262.734 258.973 1.00 0.00 C +ATOM 24 CA HIS A 24 241.376 263.722 255.673 1.00 0.00 C +ATOM 25 CA SER A 25 240.876 267.105 253.994 1.00 0.00 C +ATOM 26 CA LEU A 26 243.563 268.306 251.575 1.00 0.00 C +ATOM 27 CA ALA A 27 245.326 268.051 248.207 1.00 0.00 C +ATOM 28 CA ARG A 28 248.821 267.644 246.747 1.00 0.00 C +ATOM 29 CA PRO A 29 249.994 271.138 245.783 1.00 0.00 C +ATOM 30 CA SER A 30 253.518 272.317 244.942 1.00 0.00 C +ATOM 31 CA GLN A 31 257.259 271.655 245.230 1.00 0.00 C +ATOM 32 CA GLN A 32 258.753 268.234 245.992 1.00 0.00 C +ATOM 33 CA LYS A 33 256.292 265.860 247.672 1.00 0.00 C +TER 34 LYS A 33 +END diff --git a/Viruses/Q103A1/Q103A1.dcd b/Viruses/Q103A1/Q103A1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..ea68d1648824e38badc58062f579f12e92f5667a --- /dev/null +++ b/Viruses/Q103A1/Q103A1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e0433ae1673bd17e106c1ae937a524e4c72516e5bd5435bea7b6b187a3bdbab5 +size 4760276 diff --git a/Viruses/Q103A1/top.pdb b/Viruses/Q103A1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..05331070a3b19c4478c0425dd2a0339d5153bc9d --- /dev/null +++ b/Viruses/Q103A1/top.pdb @@ -0,0 +1,37 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ASN A 1 278.678 276.493 259.266 1.00 0.00 C +ATOM 2 CA THR A 2 276.794 277.153 256.021 1.00 0.00 C +ATOM 3 CA GLN A 3 273.207 275.870 256.102 1.00 0.00 C +ATOM 4 CA PRO A 4 272.905 273.791 259.281 1.00 0.00 C +ATOM 5 CA ALA A 5 269.524 272.037 259.398 1.00 0.00 C +ATOM 6 CA PRO A 6 268.332 271.713 255.794 1.00 0.00 C +ATOM 7 CA THR A 7 265.414 269.264 255.735 1.00 0.00 C +ATOM 8 CA GLY A 8 266.123 265.948 253.998 1.00 0.00 C +ATOM 9 CA SER A 9 263.821 263.174 252.763 1.00 0.00 C +ATOM 10 CA PRO A 10 261.107 261.908 255.118 1.00 0.00 C +ATOM 11 CA GLN A 11 258.102 260.945 252.983 1.00 0.00 C +ATOM 12 CA ILE A 12 255.101 258.601 253.115 1.00 0.00 C +ATOM 13 CA PRO A 13 251.404 258.379 254.008 1.00 0.00 C +ATOM 14 CA ARG A 14 248.887 256.435 251.909 1.00 0.00 C +ATOM 15 CA PRO A 15 246.265 254.500 249.936 1.00 0.00 C +ATOM 16 CA ASN A 16 242.604 255.051 249.036 1.00 0.00 C +ATOM 17 CA PRO A 17 240.926 252.726 246.527 1.00 0.00 C +ATOM 18 CA SER A 18 242.191 249.799 244.443 1.00 0.00 C +ATOM 19 CA PRO A 19 244.913 247.137 244.282 1.00 0.00 C +ATOM 20 CA THR A 20 246.512 245.159 241.446 1.00 0.00 C +ATOM 21 CA PRO A 21 245.533 241.881 239.769 1.00 0.00 C +ATOM 22 CA ARG A 22 241.995 241.035 240.903 1.00 0.00 C +ATOM 23 CA PRO A 23 242.023 237.841 242.979 1.00 0.00 C +ATOM 24 CA THR A 24 242.998 234.220 243.652 1.00 0.00 C +ATOM 25 CA ALA A 25 244.309 230.647 243.841 1.00 0.00 C +ATOM 26 CA SER A 26 241.679 228.288 242.416 1.00 0.00 C +ATOM 27 CA HIS A 27 238.614 226.375 243.624 1.00 0.00 C +ATOM 28 CA GLY A 28 237.452 227.475 247.081 1.00 0.00 C +ATOM 29 CA ARG A 29 235.416 226.613 250.184 1.00 0.00 C +ATOM 30 CA ALA A 30 231.973 228.244 250.183 1.00 0.00 C +ATOM 31 CA ASN A 31 228.331 227.136 250.351 1.00 0.00 C +ATOM 32 CA ASP A 32 225.051 228.080 252.044 1.00 0.00 C +ATOM 33 CA SER A 33 221.816 226.081 251.814 1.00 0.00 C +TER 34 SER A 33 +END diff --git a/Viruses/Q103A2/Q103A2.dcd b/Viruses/Q103A2/Q103A2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..9be249b10aba37ada7768ea7469c5b746d41e184 --- /dev/null +++ b/Viruses/Q103A2/Q103A2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4c929ef1f96e95de188bdf45d05df8ae15f61444b0ed7a9d24d3744e556e37a9 +size 4760276 diff --git a/Viruses/Q103A2/top.pdb b/Viruses/Q103A2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f1d07e043af0f46d45736621f89fd6293607c9d2 --- /dev/null +++ b/Viruses/Q103A2/top.pdb @@ -0,0 +1,37 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLN A 1 231.271 237.728 243.361 1.00 0.00 C +ATOM 2 CA HIS A 2 231.515 234.714 241.044 1.00 0.00 C +ATOM 3 CA PRO A 3 233.486 233.615 237.974 1.00 0.00 C +ATOM 4 CA VAL A 4 237.140 234.418 238.696 1.00 0.00 C +ATOM 5 CA CYS A 5 238.476 235.448 242.112 1.00 0.00 C +ATOM 6 CA PRO A 6 240.804 236.219 245.028 1.00 0.00 C +ATOM 7 CA HIS A 7 242.409 239.385 246.413 1.00 0.00 C +ATOM 8 CA ARG A 8 244.550 242.478 245.806 1.00 0.00 C +ATOM 9 CA ALA A 9 245.730 245.922 244.683 1.00 0.00 C +ATOM 10 CA THR A 10 246.947 249.278 246.014 1.00 0.00 C +ATOM 11 CA PRO A 11 248.849 251.555 248.404 1.00 0.00 C +ATOM 12 CA ASN A 12 250.227 255.107 248.434 1.00 0.00 C +ATOM 13 CA PRO A 13 250.553 258.427 246.594 1.00 0.00 C +ATOM 14 CA PRO A 14 251.107 262.110 245.791 1.00 0.00 C +ATOM 15 CA PRO A 15 249.384 264.362 248.336 1.00 0.00 C +ATOM 16 CA GLU A 16 250.435 264.256 251.997 1.00 0.00 C +ATOM 17 CA PRO A 17 249.665 260.996 253.812 1.00 0.00 C +ATOM 18 CA LEU A 18 246.808 258.636 252.927 1.00 0.00 C +ATOM 19 CA PRO A 19 245.094 255.342 253.781 1.00 0.00 C +ATOM 20 CA HIS A 20 246.680 252.531 255.805 1.00 0.00 C +ATOM 21 CA PRO A 21 246.674 252.186 259.599 1.00 0.00 C +ATOM 22 CA PRO A 22 248.916 249.258 260.558 1.00 0.00 C +ATOM 23 CA THR A 23 251.473 248.899 257.756 1.00 0.00 C +ATOM 24 CA HIS A 24 254.510 246.609 257.539 1.00 0.00 C +ATOM 25 CA SER A 25 257.712 247.301 255.594 1.00 0.00 C +ATOM 26 CA PRO A 26 259.062 248.699 252.317 1.00 0.00 C +ATOM 27 CA THR A 27 258.461 252.441 251.925 1.00 0.00 C +ATOM 28 CA ARG A 28 261.021 254.273 249.778 1.00 0.00 C +ATOM 29 CA PRO A 29 264.278 254.578 247.826 1.00 0.00 C +ATOM 30 CA ASN A 30 267.216 254.610 250.251 1.00 0.00 C +ATOM 31 CA GLN A 31 267.500 256.533 253.528 1.00 0.00 C +ATOM 32 CA ARG A 32 265.195 255.776 256.466 1.00 0.00 C +ATOM 33 CA LYS A 33 266.856 256.306 259.853 1.00 0.00 C +TER 34 LYS A 33 +END diff --git a/Viruses/Q103A3/Q103A3.dcd b/Viruses/Q103A3/Q103A3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d150eba20233155ddbf0045a3e5271367607fa27 --- /dev/null +++ b/Viruses/Q103A3/Q103A3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:39b6811b372385139fad0ccbe8027f897d1deb7d5db29eb7871e05b6ebef9c93 +size 4520276 diff --git a/Viruses/Q103A3/top.pdb b/Viruses/Q103A3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1df2c39ee1bbe1753c08df836a3f195568a6f01d --- /dev/null +++ b/Viruses/Q103A3/top.pdb @@ -0,0 +1,35 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLN A 1 280.660 252.504 241.559 1.00 0.00 C +ATOM 2 CA ARG A 2 277.167 253.656 242.554 1.00 0.00 C +ATOM 3 CA PRO A 3 274.597 256.384 243.239 1.00 0.00 C +ATOM 4 CA ALA A 4 273.444 259.748 241.872 1.00 0.00 C +ATOM 5 CA CYS A 5 270.965 262.449 242.910 1.00 0.00 C +ATOM 6 CA LEU A 6 268.154 263.567 240.593 1.00 0.00 C +ATOM 7 CA HIS A 7 264.613 264.503 239.545 1.00 0.00 C +ATOM 8 CA LYS A 8 262.957 262.314 236.902 1.00 0.00 C +ATOM 9 CA THR A 9 261.349 259.625 234.735 1.00 0.00 C +ATOM 10 CA THR A 10 257.583 259.200 234.342 1.00 0.00 C +ATOM 11 CA PRO A 11 254.676 257.677 236.277 1.00 0.00 C +ATOM 12 CA THR A 12 254.501 253.884 235.965 1.00 0.00 C +ATOM 13 CA PRO A 13 252.473 250.834 237.015 1.00 0.00 C +ATOM 14 CA LEU A 14 250.424 250.051 240.131 1.00 0.00 C +ATOM 15 CA PRO A 15 250.604 247.784 243.187 1.00 0.00 C +ATOM 16 CA ALA A 16 249.566 247.636 246.850 1.00 0.00 C +ATOM 17 CA SER A 17 246.987 248.095 249.617 1.00 0.00 C +ATOM 18 CA TYR A 18 244.712 249.771 252.172 1.00 0.00 C +ATOM 19 CA LEU A 19 241.254 249.088 253.618 1.00 0.00 C +ATOM 20 CA SER A 20 238.119 247.048 254.344 1.00 0.00 C +ATOM 21 CA ILE A 21 235.097 244.732 254.486 1.00 0.00 C +ATOM 22 CA ARG A 22 231.525 244.999 253.185 1.00 0.00 C +ATOM 23 CA SER A 23 228.900 244.436 255.889 1.00 0.00 C +ATOM 24 CA PRO A 24 229.719 242.472 259.049 1.00 0.00 C +ATOM 25 CA ALA A 25 232.429 241.594 261.579 1.00 0.00 C +ATOM 26 CA TRP A 26 232.136 243.771 264.692 1.00 0.00 C +ATOM 27 CA PRO A 27 232.868 242.876 268.323 1.00 0.00 C +ATOM 28 CA ASN A 28 234.430 239.465 268.989 1.00 0.00 C +ATOM 29 CA PRO A 29 237.241 236.920 269.358 1.00 0.00 C +ATOM 30 CA GLN A 30 239.565 235.572 272.059 1.00 0.00 C +ATOM 31 CA LYS A 31 241.284 237.344 274.961 1.00 0.00 C +TER 32 LYS A 31 +END diff --git a/Viruses/Q103A4/Q103A4.dcd b/Viruses/Q103A4/Q103A4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..57b7cd14d624342b4914f1dd6686a2fe3d3cff73 --- /dev/null +++ b/Viruses/Q103A4/Q103A4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:afabdabd576dbaaececd1fbd0f6baef27fdd45408c472d5964b151a9e8136a48 +size 4520276 diff --git a/Viruses/Q103A4/top.pdb b/Viruses/Q103A4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..107855accf27907790761e9bcdd9fe4dcd150acb --- /dev/null +++ b/Viruses/Q103A4/top.pdb @@ -0,0 +1,35 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ASN A 1 243.777 242.274 254.790 1.00 0.00 C +ATOM 2 CA THR A 2 247.301 243.516 254.045 1.00 0.00 C +ATOM 3 CA GLN A 3 248.513 246.961 255.132 1.00 0.00 C +ATOM 4 CA ARG A 4 250.480 247.593 258.333 1.00 0.00 C +ATOM 5 CA ALA A 5 252.621 247.153 261.453 1.00 0.00 C +ATOM 6 CA SER A 6 255.528 248.239 263.664 1.00 0.00 C +ATOM 7 CA THR A 7 258.476 250.294 264.931 1.00 0.00 C +ATOM 8 CA GLY A 8 259.974 252.471 262.186 1.00 0.00 C +ATOM 9 CA PRO A 9 258.837 255.406 260.040 1.00 0.00 C +ATOM 10 CA THR A 10 259.841 256.645 256.580 1.00 0.00 C +ATOM 11 CA GLN A 11 262.326 259.447 257.280 1.00 0.00 C +ATOM 12 CA PRO A 12 260.251 262.558 258.009 1.00 0.00 C +ATOM 13 CA LEU A 13 256.715 263.410 259.143 1.00 0.00 C +ATOM 14 CA ARG A 14 254.181 260.589 258.770 1.00 0.00 C +ATOM 15 CA PRO A 15 253.732 258.079 255.939 1.00 0.00 C +ATOM 16 CA GLN A 16 254.258 254.315 255.679 1.00 0.00 C +ATOM 17 CA PRO A 17 253.420 252.480 252.447 1.00 0.00 C +ATOM 18 CA ALA A 18 254.825 253.593 249.085 1.00 0.00 C +ATOM 19 CA SER A 19 257.044 251.734 246.608 1.00 0.00 C +ATOM 20 CA ARG A 20 255.870 248.483 245.005 1.00 0.00 C +ATOM 21 CA SER A 21 255.154 249.045 241.305 1.00 0.00 C +ATOM 22 CA THR A 22 253.540 248.086 237.990 1.00 0.00 C +ATOM 23 CA THR A 23 250.394 246.228 236.910 1.00 0.00 C +ATOM 24 CA LEU A 24 246.781 245.760 238.026 1.00 0.00 C +ATOM 25 CA PRO A 25 245.002 245.036 241.316 1.00 0.00 C +ATOM 26 CA GLY A 26 241.305 245.495 240.519 1.00 0.00 C +ATOM 27 CA PRO A 27 237.831 244.094 239.822 1.00 0.00 C +ATOM 28 CA ILE A 28 234.075 244.039 239.187 1.00 0.00 C +ATOM 29 CA HIS A 29 230.542 244.671 237.909 1.00 0.00 C +ATOM 30 CA LYS A 30 229.559 241.910 235.474 1.00 0.00 C +ATOM 31 CA GLU A 31 227.846 240.396 232.426 1.00 0.00 C +TER 32 GLU A 31 +END diff --git a/Viruses/Q103A5/Q103A5.dcd b/Viruses/Q103A5/Q103A5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8079a0bbf1c7373a98ce58894f08160a9725bce7 --- /dev/null +++ b/Viruses/Q103A5/Q103A5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8640dc43dfc908fd3d921c690b87e8ee2c7e7062242398d23c2a649530cba4e3 +size 4520276 diff --git a/Viruses/Q103A5/top.pdb b/Viruses/Q103A5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..fdbba86823aa8ef538de72b21cf7a21f3780ccfa --- /dev/null +++ b/Viruses/Q103A5/top.pdb @@ -0,0 +1,35 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLN A 1 250.532 226.932 249.527 1.00 0.00 C +ATOM 2 CA HIS A 2 247.824 228.280 251.843 1.00 0.00 C +ATOM 3 CA PRO A 3 249.392 230.974 254.033 1.00 0.00 C +ATOM 4 CA VAL A 4 248.971 234.720 253.479 1.00 0.00 C +ATOM 5 CA TYR A 5 249.882 238.377 252.919 1.00 0.00 C +ATOM 6 CA PRO A 6 253.287 239.597 251.722 1.00 0.00 C +ATOM 7 CA TYR A 7 254.830 239.853 248.248 1.00 0.00 C +ATOM 8 CA ARG A 8 253.581 241.800 245.220 1.00 0.00 C +ATOM 9 CA THR A 9 251.306 244.728 246.098 1.00 0.00 C +ATOM 10 CA ALA A 10 249.023 245.440 249.063 1.00 0.00 C +ATOM 11 CA GLN A 11 249.561 245.422 252.835 1.00 0.00 C +ATOM 12 CA THR A 12 246.312 244.897 254.754 1.00 0.00 C +ATOM 13 CA PRO A 13 243.533 245.388 252.194 1.00 0.00 C +ATOM 14 CA LEU A 14 243.649 248.253 249.686 1.00 0.00 C +ATOM 15 CA SER A 15 245.909 251.257 249.067 1.00 0.00 C +ATOM 16 CA THR A 16 246.949 254.457 247.281 1.00 0.00 C +ATOM 17 CA THR A 17 245.941 257.615 245.402 1.00 0.00 C +ATOM 18 CA HIS A 18 248.091 260.157 243.549 1.00 0.00 C +ATOM 19 CA SER A 19 247.673 263.724 244.821 1.00 0.00 C +ATOM 20 CA PRO A 20 246.167 265.085 248.045 1.00 0.00 C +ATOM 21 CA THR A 21 245.062 265.144 251.691 1.00 0.00 C +ATOM 22 CA ARG A 22 246.905 262.852 254.113 1.00 0.00 C +ATOM 23 CA SER A 23 248.040 260.336 256.739 1.00 0.00 C +ATOM 24 CA PRO A 24 251.687 260.859 257.710 1.00 0.00 C +ATOM 25 CA THR A 25 254.892 262.052 256.031 1.00 0.00 C +ATOM 26 CA ARG A 26 256.463 258.968 254.438 1.00 0.00 C +ATOM 27 CA PRO A 27 256.467 256.887 251.246 1.00 0.00 C +ATOM 28 CA ASN A 28 256.670 257.569 247.503 1.00 0.00 C +ATOM 29 CA PRO A 29 254.132 255.589 245.467 1.00 0.00 C +ATOM 30 CA GLN A 30 254.941 252.335 243.658 1.00 0.00 C +ATOM 31 CA ARG A 31 252.328 250.455 241.619 1.00 0.00 C +TER 32 ARG A 31 +END diff --git a/Viruses/Q103A6/Q103A6.dcd b/Viruses/Q103A6/Q103A6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..35741a6feaf342b8b01e2456a0edeaaf2f9963a6 --- /dev/null +++ b/Viruses/Q103A6/Q103A6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:533218fae59aa351e2a2d7e2af20460941f7433308b9a597b35f5c71d36992b9 +size 4400276 diff --git a/Viruses/Q103A6/top.pdb b/Viruses/Q103A6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..eea1fcdcd281fe6f3736ee9765b6c87febe7c1c7 --- /dev/null +++ b/Viruses/Q103A6/top.pdb @@ -0,0 +1,34 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA THR A 1 258.394 226.999 238.619 1.00 0.00 C +ATOM 2 CA LEU A 2 260.816 227.919 241.412 1.00 0.00 C +ATOM 3 CA SER A 3 264.423 226.813 241.950 1.00 0.00 C +ATOM 4 CA LEU A 4 266.477 229.951 242.623 1.00 0.00 C +ATOM 5 CA PRO A 5 265.859 233.213 244.492 1.00 0.00 C +ATOM 6 CA PRO A 6 264.781 236.388 242.683 1.00 0.00 C +ATOM 7 CA SER A 7 266.198 239.889 242.181 1.00 0.00 C +ATOM 8 CA ASN A 8 263.586 242.597 242.781 1.00 0.00 C +ATOM 9 CA TYR A 9 262.484 242.758 246.425 1.00 0.00 C +ATOM 10 CA LEU A 10 264.448 245.369 248.384 1.00 0.00 C +ATOM 11 CA ASP A 11 265.242 247.933 251.088 1.00 0.00 C +ATOM 12 CA SER A 12 263.548 250.746 253.020 1.00 0.00 C +ATOM 13 CA SER A 13 260.812 251.001 255.660 1.00 0.00 C +ATOM 14 CA ALA A 14 261.322 252.806 258.976 1.00 0.00 C +ATOM 15 CA CYS A 15 258.750 255.022 260.705 1.00 0.00 C +ATOM 16 CA ASN A 16 255.475 255.785 258.913 1.00 0.00 C +ATOM 17 CA LEU A 17 252.301 255.764 261.020 1.00 0.00 C +ATOM 18 CA THR A 18 249.519 258.047 259.768 1.00 0.00 C +ATOM 19 CA PRO A 19 247.895 257.120 256.449 1.00 0.00 C +ATOM 20 CA GLY A 20 245.775 258.040 253.420 1.00 0.00 C +ATOM 21 CA PRO A 21 242.278 259.392 252.744 1.00 0.00 C +ATOM 22 CA GLN A 22 238.997 261.294 253.114 1.00 0.00 C +ATOM 23 CA SER A 23 235.528 262.869 253.147 1.00 0.00 C +ATOM 24 CA HIS A 24 232.016 262.146 251.861 1.00 0.00 C +ATOM 25 CA THR A 25 229.178 259.614 251.625 1.00 0.00 C +ATOM 26 CA ALA A 26 225.406 259.079 251.663 1.00 0.00 C +ATOM 27 CA LYS A 27 223.812 262.138 250.044 1.00 0.00 C +ATOM 28 CA PRO A 28 225.413 262.716 246.636 1.00 0.00 C +ATOM 29 CA ALA A 29 225.818 259.786 244.235 1.00 0.00 C +ATOM 30 CA ASN A 30 223.450 256.804 244.363 1.00 0.00 C +TER 31 ASN A 30 +END diff --git a/Viruses/Q103A7/Q103A7.dcd b/Viruses/Q103A7/Q103A7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..edc1a1135e3ab466d2be5f38d05903a50cbd812f --- /dev/null +++ b/Viruses/Q103A7/Q103A7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3c4813d8d1c4ce7008acd7bed30832f8c7ddf0ddbdd1de3d75c787ae00ff0bfc +size 4520276 diff --git a/Viruses/Q103A7/top.pdb b/Viruses/Q103A7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..97f152cea5b196fd7b8bae09579338b5f9b7e156 --- /dev/null +++ b/Viruses/Q103A7/top.pdb @@ -0,0 +1,35 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LYS A 1 245.320 256.310 237.012 1.00 0.00 C +ATOM 2 CA ASN A 2 248.079 258.432 238.562 1.00 0.00 C +ATOM 3 CA GLN A 3 250.551 256.183 240.392 1.00 0.00 C +ATOM 4 CA LEU A 4 252.540 253.296 241.883 1.00 0.00 C +ATOM 5 CA ALA A 5 256.139 252.457 242.810 1.00 0.00 C +ATOM 6 CA SER A 6 257.624 249.391 244.516 1.00 0.00 C +ATOM 7 CA ILE A 7 258.834 250.299 248.013 1.00 0.00 C +ATOM 8 CA THR A 8 260.724 251.163 251.206 1.00 0.00 C +ATOM 9 CA SER A 9 264.436 252.011 251.059 1.00 0.00 C +ATOM 10 CA SER A 10 267.433 250.997 253.182 1.00 0.00 C +ATOM 11 CA PRO A 11 267.917 250.270 256.890 1.00 0.00 C +ATOM 12 CA HIS A 12 264.906 251.771 258.678 1.00 0.00 C +ATOM 13 CA PHE A 13 264.114 255.169 260.208 1.00 0.00 C +ATOM 14 CA CYS A 14 260.923 255.964 262.130 1.00 0.00 C +ATOM 15 CA PRO A 15 257.143 255.734 262.551 1.00 0.00 C +ATOM 16 CA GLN A 16 255.198 254.875 259.389 1.00 0.00 C +ATOM 17 CA PRO A 17 252.923 251.914 260.147 1.00 0.00 C +ATOM 18 CA THR A 18 251.091 249.152 262.025 1.00 0.00 C +ATOM 19 CA PRO A 19 248.259 246.902 263.223 1.00 0.00 C +ATOM 20 CA ARG A 20 246.036 244.814 260.939 1.00 0.00 C +ATOM 21 CA SER A 21 245.975 245.602 257.212 1.00 0.00 C +ATOM 22 CA MET A 22 244.872 244.427 253.759 1.00 0.00 C +ATOM 23 CA VAL A 23 241.871 244.778 251.438 1.00 0.00 C +ATOM 24 CA GLN A 24 238.169 244.998 250.564 1.00 0.00 C +ATOM 25 CA HIS A 25 235.691 245.447 247.706 1.00 0.00 C +ATOM 26 CA GLY A 26 236.385 243.340 244.608 1.00 0.00 C +ATOM 27 CA GLN A 27 238.884 243.178 241.737 1.00 0.00 C +ATOM 28 CA THR A 28 238.318 246.188 239.470 1.00 0.00 C +ATOM 29 CA HIS A 29 234.545 246.257 238.941 1.00 0.00 C +ATOM 30 CA LYS A 30 233.869 248.358 235.835 1.00 0.00 C +ATOM 31 CA ARG A 31 231.230 250.323 233.914 1.00 0.00 C +TER 32 ARG A 31 +END diff --git a/Viruses/Q103A8/Q103A8.dcd b/Viruses/Q103A8/Q103A8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..dc34850d40d877320e7377ad6c23168375b2d87d --- /dev/null +++ b/Viruses/Q103A8/Q103A8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1760ac0b7238898daafc272d159faa9c233cecc5f0a0d0cc72d76b831dfdf6d3 +size 4520276 diff --git a/Viruses/Q103A8/top.pdb b/Viruses/Q103A8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a5441eceb66c546f41cac6f2c96869dc41fccbf3 --- /dev/null +++ b/Viruses/Q103A8/top.pdb @@ -0,0 +1,35 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLN A 1 246.155 269.405 271.498 1.00 0.00 C +ATOM 2 CA HIS A 2 244.273 266.110 271.840 1.00 0.00 C +ATOM 3 CA PRO A 3 244.332 262.536 273.160 1.00 0.00 C +ATOM 4 CA ALA A 4 241.745 259.812 272.524 1.00 0.00 C +ATOM 5 CA CYS A 5 242.053 257.823 269.289 1.00 0.00 C +ATOM 6 CA LEU A 6 244.310 255.360 267.457 1.00 0.00 C +ATOM 7 CA TYR A 7 248.083 255.671 267.024 1.00 0.00 C +ATOM 8 CA GLU A 8 248.993 253.385 264.116 1.00 0.00 C +ATOM 9 CA ILE A 9 248.343 253.695 260.374 1.00 0.00 C +ATOM 10 CA ILE A 10 246.152 252.379 257.549 1.00 0.00 C +ATOM 11 CA PRO A 11 248.429 251.695 254.571 1.00 0.00 C +ATOM 12 CA THR A 12 246.449 251.961 251.327 1.00 0.00 C +ATOM 13 CA PRO A 13 247.410 253.101 247.821 1.00 0.00 C +ATOM 14 CA PRO A 14 245.942 252.762 244.321 1.00 0.00 C +ATOM 15 CA LEU A 15 247.830 254.163 241.323 1.00 0.00 C +ATOM 16 CA ALA A 16 251.497 253.612 242.196 1.00 0.00 C +ATOM 17 CA PRO A 17 252.590 250.789 244.510 1.00 0.00 C +ATOM 18 CA HIS A 18 255.679 248.649 243.880 1.00 0.00 C +ATOM 19 CA PRO A 19 258.962 248.984 241.975 1.00 0.00 C +ATOM 20 CA PRO A 20 258.766 246.658 238.964 1.00 0.00 C +ATOM 21 CA VAL A 21 259.408 243.287 237.309 1.00 0.00 C +ATOM 22 CA ARG A 22 260.965 241.135 234.578 1.00 0.00 C +ATOM 23 CA SER A 23 259.690 238.083 232.687 1.00 0.00 C +ATOM 24 CA PRO A 24 256.084 236.981 232.142 1.00 0.00 C +ATOM 25 CA THR A 25 252.715 238.160 233.476 1.00 0.00 C +ATOM 26 CA ARG A 26 251.956 238.527 237.191 1.00 0.00 C +ATOM 27 CA PRO A 27 249.251 238.721 239.867 1.00 0.00 C +ATOM 28 CA ASN A 28 246.739 241.400 240.883 1.00 0.00 C +ATOM 29 CA PRO A 29 246.167 244.343 243.234 1.00 0.00 C +ATOM 30 CA GLN A 30 247.885 246.289 246.023 1.00 0.00 C +ATOM 31 CA THR A 31 251.149 244.526 246.889 1.00 0.00 C +TER 32 THR A 31 +END diff --git a/Viruses/Q103A9/Q103A9.dcd b/Viruses/Q103A9/Q103A9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..734ba7b8ef2ac33d5d193704b9ae7178f045e22c --- /dev/null +++ b/Viruses/Q103A9/Q103A9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:348b9a095bc5946eebc058d6b5b02d913c059b6cefd40aea5b856d4c542c34eb +size 4400276 diff --git a/Viruses/Q103A9/top.pdb b/Viruses/Q103A9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ef824e318b765f2aafaf1d29e9d32df96be32077 --- /dev/null +++ b/Viruses/Q103A9/top.pdb @@ -0,0 +1,34 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LYS A 1 243.546 263.859 265.299 1.00 0.00 C +ATOM 2 CA PRO A 2 244.398 261.098 262.816 1.00 0.00 C +ATOM 3 CA SER A 3 247.396 261.284 260.471 1.00 0.00 C +ATOM 4 CA LEU A 4 247.954 258.069 258.505 1.00 0.00 C +ATOM 5 CA LEU A 5 251.682 257.288 258.602 1.00 0.00 C +ATOM 6 CA PRO A 6 255.044 258.173 260.161 1.00 0.00 C +ATOM 7 CA GLN A 7 257.405 256.405 262.573 1.00 0.00 C +ATOM 8 CA ILE A 8 257.429 255.967 266.357 1.00 0.00 C +ATOM 9 CA HIS A 9 254.024 254.505 267.242 1.00 0.00 C +ATOM 10 CA PRO A 10 253.983 250.788 266.406 1.00 0.00 C +ATOM 11 CA ASN A 11 250.521 249.200 266.303 1.00 0.00 C +ATOM 12 CA THR A 12 248.725 249.054 262.946 1.00 0.00 C +ATOM 13 CA LEU A 13 246.725 246.570 260.861 1.00 0.00 C +ATOM 14 CA THR A 14 248.714 244.559 258.308 1.00 0.00 C +ATOM 15 CA ARG A 15 251.868 242.453 257.942 1.00 0.00 C +ATOM 16 CA SER A 16 253.440 241.880 254.519 1.00 0.00 C +ATOM 17 CA ARG A 17 255.108 244.806 252.738 1.00 0.00 C +ATOM 18 CA PRO A 18 255.266 245.422 248.982 1.00 0.00 C +ATOM 19 CA LEU A 19 253.631 244.948 245.573 1.00 0.00 C +ATOM 20 CA ASP A 20 250.154 244.586 244.058 1.00 0.00 C +ATOM 21 CA LEU A 21 248.144 246.463 241.422 1.00 0.00 C +ATOM 22 CA ARG A 22 244.556 247.518 240.692 1.00 0.00 C +ATOM 23 CA PRO A 23 243.977 246.373 237.105 1.00 0.00 C +ATOM 24 CA TYR A 24 242.451 243.874 234.666 1.00 0.00 C +ATOM 25 CA MET A 25 243.359 245.119 231.182 1.00 0.00 C +ATOM 26 CA THR A 26 246.135 244.105 228.778 1.00 0.00 C +ATOM 27 CA THR A 27 249.862 244.885 228.923 1.00 0.00 C +ATOM 28 CA PRO A 28 251.726 248.128 228.201 1.00 0.00 C +ATOM 29 CA SER A 29 251.212 249.479 224.676 1.00 0.00 C +ATOM 30 CA ASN A 30 251.567 253.143 223.693 1.00 0.00 C +TER 31 ASN A 30 +END diff --git a/Viruses/Q107X9/Q107X9.dcd b/Viruses/Q107X9/Q107X9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..430af7d45d2df9a67d2caac7ce6d7be1ab480e3b --- /dev/null +++ b/Viruses/Q107X9/Q107X9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ed76b7708b474fe10341439b5e1f52a968f227113ad6c8628c684635f4c3dc3d +size 13520276 diff --git a/Viruses/Q107X9/top.pdb b/Viruses/Q107X9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b836d2fcac337145dafd8d2cba82cd8e149752c5 --- /dev/null +++ b/Viruses/Q107X9/top.pdb @@ -0,0 +1,110 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 250.704 193.479 236.601 1.00 0.00 C +ATOM 2 CA ALA A 2 252.469 191.103 239.001 1.00 0.00 C +ATOM 3 CA SER A 3 254.976 190.922 241.864 1.00 0.00 C +ATOM 4 CA THR A 4 256.781 194.167 242.720 1.00 0.00 C +ATOM 5 CA THR A 5 255.821 196.025 245.904 1.00 0.00 C +ATOM 6 CA PRO A 6 254.206 194.768 249.118 1.00 0.00 C +ATOM 7 CA ILE A 7 254.534 196.288 252.596 1.00 0.00 C +ATOM 8 CA THR A 8 253.106 199.614 253.787 1.00 0.00 C +ATOM 9 CA MET A 9 254.841 202.813 252.661 1.00 0.00 C +ATOM 10 CA GLU A 10 255.875 205.457 255.202 1.00 0.00 C +ATOM 11 CA ASP A 11 255.812 209.263 255.370 1.00 0.00 C +ATOM 12 CA LEU A 12 259.054 211.025 254.422 1.00 0.00 C +ATOM 13 CA GLN A 13 260.881 212.700 257.316 1.00 0.00 C +ATOM 14 CA LYS A 14 263.844 214.977 256.575 1.00 0.00 C +ATOM 15 CA ALA A 15 264.986 217.554 254.012 1.00 0.00 C +ATOM 16 CA LEU A 16 262.650 220.541 253.642 1.00 0.00 C +ATOM 17 CA GLU A 17 259.132 219.164 254.132 1.00 0.00 C +ATOM 18 CA ALA A 18 255.768 220.836 253.493 1.00 0.00 C +ATOM 19 CA GLN A 19 255.515 223.688 250.980 1.00 0.00 C +ATOM 20 CA SER A 20 252.681 226.213 251.310 1.00 0.00 C +ATOM 21 CA ARG A 21 252.469 229.529 253.173 1.00 0.00 C +ATOM 22 CA ALA A 22 250.784 232.914 253.643 1.00 0.00 C +ATOM 23 CA LEU A 23 251.542 235.930 255.845 1.00 0.00 C +ATOM 24 CA ARG A 24 254.434 236.685 258.208 1.00 0.00 C +ATOM 25 CA ALA A 25 257.231 234.421 259.459 1.00 0.00 C +ATOM 26 CA GLU A 26 255.811 231.553 261.527 1.00 0.00 C +ATOM 27 CA LEU A 27 252.012 231.349 261.745 1.00 0.00 C +ATOM 28 CA ALA A 28 249.932 228.643 263.437 1.00 0.00 C +ATOM 29 CA ALA A 29 246.785 228.001 261.388 1.00 0.00 C +ATOM 30 CA GLY A 30 246.562 230.113 258.225 1.00 0.00 C +ATOM 31 CA ALA A 31 243.125 231.726 257.899 1.00 0.00 C +ATOM 32 CA SER A 32 240.004 231.480 255.727 1.00 0.00 C +ATOM 33 CA GLN A 33 239.454 231.171 251.970 1.00 0.00 C +ATOM 34 CA THR A 34 241.836 233.374 249.973 1.00 0.00 C +ATOM 35 CA ARG A 35 243.332 236.605 251.329 1.00 0.00 C +ATOM 36 CA ARG A 36 243.037 239.867 249.383 1.00 0.00 C +ATOM 37 CA PRO A 37 240.413 242.461 250.334 1.00 0.00 C +ATOM 38 CA ARG A 38 241.446 245.229 252.739 1.00 0.00 C +ATOM 39 CA PRO A 39 242.725 246.246 256.181 1.00 0.00 C +ATOM 40 CA PRO A 40 243.816 247.943 259.413 1.00 0.00 C +ATOM 41 CA ARG A 41 245.914 250.408 261.422 1.00 0.00 C +ATOM 42 CA GLN A 42 248.768 252.904 261.795 1.00 0.00 C +ATOM 43 CA ARG A 43 249.065 256.655 262.395 1.00 0.00 C +ATOM 44 CA ASP A 44 249.522 259.245 259.639 1.00 0.00 C +ATOM 45 CA SER A 45 252.755 258.663 257.709 1.00 0.00 C +ATOM 46 CA SER A 46 256.545 259.024 257.582 1.00 0.00 C +ATOM 47 CA THR A 47 257.863 256.671 254.890 1.00 0.00 C +ATOM 48 CA SER A 48 257.869 255.961 251.147 1.00 0.00 C +ATOM 49 CA GLY A 49 258.733 254.194 247.884 1.00 0.00 C +ATOM 50 CA ASP A 50 258.384 250.408 247.637 1.00 0.00 C +ATOM 51 CA ASP A 51 260.594 247.417 246.805 1.00 0.00 C +ATOM 52 CA SER A 52 260.305 243.985 245.176 1.00 0.00 C +ATOM 53 CA GLY A 53 258.654 241.338 242.989 1.00 0.00 C +ATOM 54 CA ARG A 54 259.692 237.983 241.511 1.00 0.00 C +ATOM 55 CA ASP A 55 263.211 237.278 240.230 1.00 0.00 C +ATOM 56 CA SER A 56 263.815 234.910 237.308 1.00 0.00 C +ATOM 57 CA GLY A 57 263.321 234.990 233.531 1.00 0.00 C +ATOM 58 CA GLY A 58 260.061 234.651 231.588 1.00 0.00 C +ATOM 59 CA PRO A 59 256.282 234.991 231.249 1.00 0.00 C +ATOM 60 CA ARG A 60 253.108 235.553 233.280 1.00 0.00 C +ATOM 61 CA ARG A 61 252.496 239.252 233.955 1.00 0.00 C +ATOM 62 CA ARG A 62 254.331 242.590 234.029 1.00 0.00 C +ATOM 63 CA ARG A 63 256.649 245.315 235.339 1.00 0.00 C +ATOM 64 CA GLY A 64 254.575 248.252 236.599 1.00 0.00 C +ATOM 65 CA ASN A 65 250.900 247.962 237.561 1.00 0.00 C +ATOM 66 CA ARG A 66 248.342 245.139 237.481 1.00 0.00 C +ATOM 67 CA GLY A 67 247.522 243.813 240.957 1.00 0.00 C +ATOM 68 CA ARG A 68 246.916 245.376 244.378 1.00 0.00 C +ATOM 69 CA GLY A 69 244.789 248.461 245.070 1.00 0.00 C +ATOM 70 CA GLN A 70 241.525 249.660 243.513 1.00 0.00 C +ATOM 71 CA ARG A 71 239.328 251.968 245.603 1.00 0.00 C +ATOM 72 CA ARG A 72 241.244 253.583 248.473 1.00 0.00 C +ATOM 73 CA ASP A 73 243.202 256.780 249.152 1.00 0.00 C +ATOM 74 CA TRP A 74 240.850 259.385 250.633 1.00 0.00 C +ATOM 75 CA SER A 75 238.813 262.378 251.820 1.00 0.00 C +ATOM 76 CA ARG A 76 236.217 262.986 254.542 1.00 0.00 C +ATOM 77 CA ALA A 77 236.100 266.309 256.402 1.00 0.00 C +ATOM 78 CA PRO A 78 235.664 269.881 255.149 1.00 0.00 C +ATOM 79 CA PRO A 79 238.373 272.266 256.370 1.00 0.00 C +ATOM 80 CA PRO A 80 241.399 274.580 256.436 1.00 0.00 C +ATOM 81 CA PRO A 81 242.064 276.247 259.797 1.00 0.00 C +ATOM 82 CA GLU A 82 243.473 278.618 262.425 1.00 0.00 C +ATOM 83 CA GLU A 83 244.736 282.202 262.704 1.00 0.00 C +ATOM 84 CA ARG A 84 245.173 283.420 266.288 1.00 0.00 C +ATOM 85 CA GLN A 85 245.186 286.763 268.116 1.00 0.00 C +ATOM 86 CA GLU A 86 246.948 290.023 267.232 1.00 0.00 C +ATOM 87 CA SER A 87 244.781 293.004 266.265 1.00 0.00 C +ATOM 88 CA ARG A 88 244.085 295.660 263.623 1.00 0.00 C +ATOM 89 CA SER A 89 246.361 296.336 260.643 1.00 0.00 C +ATOM 90 CA GLN A 90 244.404 297.922 257.784 1.00 0.00 C +ATOM 91 CA THR A 91 244.479 300.078 254.643 1.00 0.00 C +ATOM 92 CA PRO A 92 246.553 300.901 251.556 1.00 0.00 C +ATOM 93 CA ALA A 93 246.415 304.517 250.362 1.00 0.00 C +ATOM 94 CA PRO A 94 245.530 306.472 247.214 1.00 0.00 C +ATOM 95 CA LYS A 95 246.601 308.352 244.078 1.00 0.00 C +ATOM 96 CA PRO A 96 248.317 305.801 241.828 1.00 0.00 C +ATOM 97 CA PRO A 97 249.996 302.473 242.617 1.00 0.00 C +ATOM 98 CA ARG A 98 249.698 299.582 245.080 1.00 0.00 C +ATOM 99 CA ALA A 99 248.631 295.932 244.852 1.00 0.00 C +ATOM 100 CA PRO A 100 250.709 294.537 241.979 1.00 0.00 C +ATOM 101 CA PRO A 101 252.241 293.074 238.813 1.00 0.00 C +ATOM 102 CA GLN A 102 249.474 292.169 236.355 1.00 0.00 C +ATOM 103 CA GLN A 103 247.001 289.844 234.623 1.00 0.00 C +ATOM 104 CA PRO A 104 243.938 287.900 235.787 1.00 0.00 C +ATOM 105 CA GLN A 105 243.714 284.792 233.594 1.00 0.00 C +ATOM 106 CA PRO A 106 245.414 284.380 230.209 1.00 0.00 C +TER 107 PRO A 106 +END diff --git a/Viruses/Q14UX9/Q14UX9.dcd b/Viruses/Q14UX9/Q14UX9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..0bfea0d3151233d43efbb2ce75442dd5d6436816 --- /dev/null +++ b/Viruses/Q14UX9/Q14UX9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:47f9d40b6d2ced5c1d05ab94724d33885ada0a55def8f1e6703283e0fe459486 +size 5840276 diff --git a/Viruses/Q14UX9/top.pdb b/Viruses/Q14UX9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..eb8f5e8a8bbba4b11cdc88a8e38e7e1d4d76acca --- /dev/null +++ b/Viruses/Q14UX9/top.pdb @@ -0,0 +1,46 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 247.230 263.728 288.907 1.00 0.00 C +ATOM 2 CA ILE A 2 247.109 260.101 287.746 1.00 0.00 C +ATOM 3 CA ASP A 3 244.037 258.708 285.976 1.00 0.00 C +ATOM 4 CA PRO A 4 244.879 256.573 282.934 1.00 0.00 C +ATOM 5 CA GLY A 5 243.445 255.178 279.692 1.00 0.00 C +ATOM 6 CA GLU A 6 240.428 252.932 280.299 1.00 0.00 C +ATOM 7 CA VAL A 7 240.565 249.127 280.437 1.00 0.00 C +ATOM 8 CA TYR A 8 242.728 247.778 277.606 1.00 0.00 C +ATOM 9 CA ASP A 9 244.274 244.296 277.602 1.00 0.00 C +ATOM 10 CA ASP A 10 247.501 243.623 275.691 1.00 0.00 C +ATOM 11 CA PRO A 11 249.005 242.772 272.296 1.00 0.00 C +ATOM 12 CA VAL A 12 250.029 241.913 268.728 1.00 0.00 C +ATOM 13 CA ASP A 13 247.705 240.802 265.920 1.00 0.00 C +ATOM 14 CA PRO A 14 245.914 238.934 263.124 1.00 0.00 C +ATOM 15 CA ILE A 15 248.193 236.523 261.251 1.00 0.00 C +ATOM 16 CA GLU A 16 250.653 234.537 259.125 1.00 0.00 C +ATOM 17 CA THR A 17 250.013 233.926 255.420 1.00 0.00 C +ATOM 18 CA GLU A 18 250.513 235.926 252.215 1.00 0.00 C +ATOM 19 CA ALA A 19 252.118 239.372 252.459 1.00 0.00 C +ATOM 20 CA GLU A 20 252.741 241.431 249.314 1.00 0.00 C +ATOM 21 CA PRO A 21 251.145 242.154 245.931 1.00 0.00 C +ATOM 22 CA ARG A 22 247.697 243.281 244.766 1.00 0.00 C +ATOM 23 CA GLY A 23 248.133 246.095 242.234 1.00 0.00 C +ATOM 24 CA THR A 24 246.569 248.263 239.520 1.00 0.00 C +ATOM 25 CA PRO A 25 246.592 247.764 235.743 1.00 0.00 C +ATOM 26 CA THR A 26 247.885 251.068 234.356 1.00 0.00 C +ATOM 27 CA VAL A 27 246.023 254.382 234.105 1.00 0.00 C +ATOM 28 CA PRO A 28 248.083 257.586 234.022 1.00 0.00 C +ATOM 29 CA ASN A 29 250.348 259.211 231.425 1.00 0.00 C +ATOM 30 CA ILE A 30 252.978 256.655 230.392 1.00 0.00 C +ATOM 31 CA LEU A 31 254.694 253.259 230.586 1.00 0.00 C +ATOM 32 CA ARG A 32 257.162 250.629 231.814 1.00 0.00 C +ATOM 33 CA ASN A 33 260.776 249.469 232.147 1.00 0.00 C +ATOM 34 CA SER A 34 263.231 252.364 232.482 1.00 0.00 C +ATOM 35 CA ASP A 35 262.487 255.701 230.801 1.00 0.00 C +ATOM 36 CA TYR A 36 259.721 255.568 228.185 1.00 0.00 C +ATOM 37 CA ASN A 37 258.134 254.345 224.943 1.00 0.00 C +ATOM 38 CA LEU A 38 256.222 256.878 222.836 1.00 0.00 C +ATOM 39 CA ASN A 39 253.891 259.847 223.358 1.00 0.00 C +ATOM 40 CA SER A 40 251.767 260.329 220.232 1.00 0.00 C +ATOM 41 CA PRO A 41 249.716 262.158 217.593 1.00 0.00 C +ATOM 42 CA LEU A 42 247.669 264.816 215.787 1.00 0.00 C +TER 43 LEU A 42 +END diff --git a/Viruses/Q14UY3/Q14UY3.dcd b/Viruses/Q14UY3/Q14UY3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..0467423808fe8395d78a3e6929d397ede335aedb --- /dev/null +++ b/Viruses/Q14UY3/Q14UY3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c881dac07957fa5aa7cf3e4aaa96885a5d641748346e02fde9d39a8d3db71eac +size 5960276 diff --git a/Viruses/Q14UY3/top.pdb b/Viruses/Q14UY3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f2d3c97dfd72a51baa8612ba8e9ef6200fdc9ae8 --- /dev/null +++ b/Viruses/Q14UY3/top.pdb @@ -0,0 +1,47 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 264.659 267.644 236.139 1.00 0.00 C +ATOM 2 CA LEU A 2 266.618 270.878 235.675 1.00 0.00 C +ATOM 3 CA ILE A 3 267.891 273.764 237.812 1.00 0.00 C +ATOM 4 CA ASP A 4 267.789 274.605 241.527 1.00 0.00 C +ATOM 5 CA SER A 5 264.367 275.998 242.459 1.00 0.00 C +ATOM 6 CA GLY A 6 263.584 275.400 246.139 1.00 0.00 C +ATOM 7 CA GLU A 7 261.153 277.013 248.589 1.00 0.00 C +ATOM 8 CA VAL A 8 257.632 278.384 248.100 1.00 0.00 C +ATOM 9 CA TYR A 9 254.596 276.246 248.954 1.00 0.00 C +ATOM 10 CA ASP A 10 252.870 273.769 251.278 1.00 0.00 C +ATOM 11 CA ASP A 11 251.946 273.590 254.970 1.00 0.00 C +ATOM 12 CA PRO A 12 249.857 271.030 256.865 1.00 0.00 C +ATOM 13 CA VAL A 13 249.953 267.620 258.563 1.00 0.00 C +ATOM 14 CA ASP A 14 250.562 266.294 262.082 1.00 0.00 C +ATOM 15 CA PRO A 15 250.822 263.818 264.967 1.00 0.00 C +ATOM 16 CA ILE A 16 247.368 262.224 265.167 1.00 0.00 C +ATOM 17 CA GLU A 17 246.406 259.241 267.333 1.00 0.00 C +ATOM 18 CA SER A 18 245.341 255.708 266.383 1.00 0.00 C +ATOM 19 CA GLU A 19 245.949 252.712 268.655 1.00 0.00 C +ATOM 20 CA ALA A 20 245.936 249.193 267.194 1.00 0.00 C +ATOM 21 CA GLU A 21 243.317 246.851 265.721 1.00 0.00 C +ATOM 22 CA PRO A 22 242.655 243.426 264.189 1.00 0.00 C +ATOM 23 CA ARG A 23 244.878 241.605 261.687 1.00 0.00 C +ATOM 24 CA GLY A 24 245.421 240.700 258.026 1.00 0.00 C +ATOM 25 CA SER A 25 244.871 240.600 254.257 1.00 0.00 C +ATOM 26 CA PRO A 26 241.343 239.484 253.351 1.00 0.00 C +ATOM 27 CA SER A 27 240.238 237.181 250.524 1.00 0.00 C +ATOM 28 CA VAL A 28 237.012 235.288 249.799 1.00 0.00 C +ATOM 29 CA PRO A 29 236.445 231.780 248.425 1.00 0.00 C +ATOM 30 CA ASN A 30 239.338 229.354 247.910 1.00 0.00 C +ATOM 31 CA ILE A 31 242.371 227.572 246.448 1.00 0.00 C +ATOM 32 CA LEU A 32 244.506 228.981 243.624 1.00 0.00 C +ATOM 33 CA ARG A 33 245.572 229.784 240.055 1.00 0.00 C +ATOM 34 CA ASN A 34 247.317 227.629 237.442 1.00 0.00 C +ATOM 35 CA SER A 35 249.244 224.545 238.575 1.00 0.00 C +ATOM 36 CA ASP A 36 252.152 224.189 241.011 1.00 0.00 C +ATOM 37 CA TYR A 37 254.665 226.802 239.838 1.00 0.00 C +ATOM 38 CA ASN A 38 254.218 230.067 237.926 1.00 0.00 C +ATOM 39 CA LEU A 39 253.497 233.021 240.223 1.00 0.00 C +ATOM 40 CA ASN A 40 251.081 235.964 240.344 1.00 0.00 C +ATOM 41 CA SER A 41 248.050 237.621 241.952 1.00 0.00 C +ATOM 42 CA PRO A 42 244.881 237.205 239.879 1.00 0.00 C +ATOM 43 CA LEU A 43 241.631 235.218 239.942 1.00 0.00 C +TER 44 LEU A 43 +END diff --git a/Viruses/Q152W2/Q152W2.dcd b/Viruses/Q152W2/Q152W2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..cf2c62cb6d89ca0e61ed69808400cd9d776361aa --- /dev/null +++ b/Viruses/Q152W2/Q152W2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ee7ac3a05d571383c965999807eb2539dcd9fdceb597822b2af04ce8dbe73163 +size 4880276 diff --git a/Viruses/Q152W2/top.pdb b/Viruses/Q152W2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..178893ba6b503e314a9452ad4d5831d579defa3d --- /dev/null +++ b/Viruses/Q152W2/top.pdb @@ -0,0 +1,38 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ARG A 1 260.982 264.720 218.573 1.00 0.00 C +ATOM 2 CA GLY A 2 257.595 263.897 220.112 1.00 0.00 C +ATOM 3 CA LYS A 3 256.321 265.618 223.263 1.00 0.00 C +ATOM 4 CA ARG A 4 258.814 266.178 226.089 1.00 0.00 C +ATOM 5 CA HIS A 5 257.080 264.713 229.149 1.00 0.00 C +ATOM 6 CA SER A 6 255.131 261.566 230.052 1.00 0.00 C +ATOM 7 CA LYS A 7 254.047 259.776 233.236 1.00 0.00 C +ATOM 8 CA PRO A 8 251.662 258.972 236.096 1.00 0.00 C +ATOM 9 CA PRO A 9 250.666 262.313 237.634 1.00 0.00 C +ATOM 10 CA ASN A 10 250.068 263.788 241.095 1.00 0.00 C +ATOM 11 CA ARG A 11 252.391 264.896 243.905 1.00 0.00 C +ATOM 12 CA ARG A 12 253.050 263.642 247.441 1.00 0.00 C +ATOM 13 CA LEU A 13 255.532 261.783 249.654 1.00 0.00 C +ATOM 14 CA ASP A 14 255.437 258.706 251.899 1.00 0.00 C +ATOM 15 CA SER A 15 256.682 255.996 254.271 1.00 0.00 C +ATOM 16 CA ALA A 16 254.481 254.912 257.186 1.00 0.00 C +ATOM 17 CA SER A 17 251.624 254.559 259.682 1.00 0.00 C +ATOM 18 CA GLU A 18 248.035 255.089 258.519 1.00 0.00 C +ATOM 19 CA GLU A 19 244.548 256.237 257.501 1.00 0.00 C +ATOM 20 CA SER A 20 242.275 253.493 256.153 1.00 0.00 C +ATOM 21 CA SER A 21 243.551 252.131 252.831 1.00 0.00 C +ATOM 22 CA SER A 22 245.846 249.510 251.289 1.00 0.00 C +ATOM 23 CA VAL A 23 246.201 245.743 251.745 1.00 0.00 C +ATOM 24 CA SER A 24 245.636 243.782 254.962 1.00 0.00 C +ATOM 25 CA PHE A 25 246.981 240.529 256.419 1.00 0.00 C +ATOM 26 CA GLU A 26 244.095 238.475 257.824 1.00 0.00 C +ATOM 27 CA ASP A 27 245.640 235.546 259.707 1.00 0.00 C +ATOM 28 CA GLY A 28 245.823 234.625 263.400 1.00 0.00 C +ATOM 29 CA LEU A 29 246.164 230.937 264.293 1.00 0.00 C +ATOM 30 CA GLN A 30 245.209 227.803 266.237 1.00 0.00 C +ATOM 31 CA SER A 31 245.400 224.308 267.741 1.00 0.00 C +ATOM 32 CA ASP A 32 246.107 223.907 271.464 1.00 0.00 C +ATOM 33 CA HIS A 33 243.980 221.545 273.564 1.00 0.00 C +ATOM 34 CA THR A 34 242.944 220.308 277.016 1.00 0.00 C +TER 35 THR A 34 +END diff --git a/Viruses/Q159G2/Q159G2.dcd b/Viruses/Q159G2/Q159G2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..0ac950942ec6cdaa333e2f8d9a8cb398b78a2bd8 --- /dev/null +++ b/Viruses/Q159G2/Q159G2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:62cd63505434a97282da32774bd89a48c19f25fe16e96dc27dd0774540d8793f +size 7040276 diff --git a/Viruses/Q159G2/top.pdb b/Viruses/Q159G2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..54dab361b27d9ea71d6cd27614d6dd0f75218358 --- /dev/null +++ b/Viruses/Q159G2/top.pdb @@ -0,0 +1,56 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 269.654 267.036 240.251 1.00 0.00 C +ATOM 2 CA PRO A 2 267.528 264.213 238.827 1.00 0.00 C +ATOM 3 CA SER A 3 268.098 261.067 240.901 1.00 0.00 C +ATOM 4 CA GLY A 4 265.022 260.777 243.129 1.00 0.00 C +ATOM 5 CA ASP A 5 262.058 262.526 244.765 1.00 0.00 C +ATOM 6 CA GLY A 6 259.693 265.318 243.703 1.00 0.00 C +ATOM 7 CA GLY A 7 256.888 267.883 243.437 1.00 0.00 C +ATOM 8 CA TRP A 8 253.435 266.796 242.248 1.00 0.00 C +ATOM 9 CA GLY A 9 250.875 264.071 242.980 1.00 0.00 C +ATOM 10 CA GLY A 10 247.350 264.287 244.411 1.00 0.00 C +ATOM 11 CA GLN A 11 247.487 264.153 248.216 1.00 0.00 C +ATOM 12 CA LYS A 12 248.465 260.932 250.000 1.00 0.00 C +ATOM 13 CA ARG A 13 250.709 258.980 247.618 1.00 0.00 C +ATOM 14 CA GLU A 14 252.542 256.132 245.873 1.00 0.00 C +ATOM 15 CA TRP A 15 255.465 254.759 243.852 1.00 0.00 C +ATOM 16 CA GLY A 16 258.977 253.300 243.619 1.00 0.00 C +ATOM 17 CA VAL A 17 259.512 251.157 240.515 1.00 0.00 C +ATOM 18 CA GLN A 18 261.531 248.650 238.476 1.00 0.00 C +ATOM 19 CA MET A 19 265.253 249.044 239.191 1.00 0.00 C +ATOM 20 CA GLY A 20 267.562 248.683 236.183 1.00 0.00 C +ATOM 21 CA GLY A 21 269.313 248.908 232.807 1.00 0.00 C +ATOM 22 CA GLY A 22 268.382 246.034 230.485 1.00 0.00 C +ATOM 23 CA GLY A 23 266.197 243.446 232.229 1.00 0.00 C +ATOM 24 CA VAL A 24 263.568 241.325 230.466 1.00 0.00 C +ATOM 25 CA GLU A 25 260.692 239.512 232.185 1.00 0.00 C +ATOM 26 CA GLN A 26 256.982 239.487 231.315 1.00 0.00 C +ATOM 27 CA SER A 27 254.084 240.353 233.632 1.00 0.00 C +ATOM 28 CA TRP A 28 255.125 240.464 237.295 1.00 0.00 C +ATOM 29 CA ALA A 29 254.400 243.230 239.813 1.00 0.00 C +ATOM 30 CA GLN A 30 254.773 246.876 240.854 1.00 0.00 C +ATOM 31 CA SER A 31 252.680 250.005 240.273 1.00 0.00 C +ATOM 32 CA SER A 32 249.438 250.835 242.095 1.00 0.00 C +ATOM 33 CA SER A 33 247.416 254.063 242.182 1.00 0.00 C +ATOM 34 CA ALA A 34 244.020 254.013 243.908 1.00 0.00 C +ATOM 35 CA SER A 35 241.546 253.643 246.782 1.00 0.00 C +ATOM 36 CA GLY A 36 241.773 251.280 249.763 1.00 0.00 C +ATOM 37 CA GLY A 37 241.225 247.973 251.573 1.00 0.00 C +ATOM 38 CA GLY A 38 241.396 247.939 255.379 1.00 0.00 C +ATOM 39 CA GLY A 39 241.891 249.629 258.758 1.00 0.00 C +ATOM 40 CA VAL A 40 239.546 248.088 261.336 1.00 0.00 C +ATOM 41 CA GLN A 41 240.209 245.072 263.567 1.00 0.00 C +ATOM 42 CA ILE A 42 238.033 243.132 266.021 1.00 0.00 C +ATOM 43 CA GLY A 43 235.689 242.731 268.998 1.00 0.00 C +ATOM 44 CA GLY A 44 232.909 240.303 268.053 1.00 0.00 C +ATOM 45 CA TRP A 45 229.842 238.323 269.144 1.00 0.00 C +ATOM 46 CA ARG A 46 227.921 237.515 272.333 1.00 0.00 C +ATOM 47 CA GLY A 47 229.456 235.871 275.409 1.00 0.00 C +ATOM 48 CA GLU A 48 231.138 237.678 278.311 1.00 0.00 C +ATOM 49 CA GLY A 49 231.427 237.534 282.107 1.00 0.00 C +ATOM 50 CA PRO A 50 228.913 238.645 284.747 1.00 0.00 C +ATOM 51 CA GLY A 51 230.160 237.940 288.277 1.00 0.00 C +ATOM 52 CA ALA A 52 231.751 238.391 291.710 1.00 0.00 C +TER 53 ALA A 52 +END diff --git a/Viruses/Q159G5/Q159G5.dcd b/Viruses/Q159G5/Q159G5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..afee45f7ee8f3a5daa77aec4713f679bec95b6a0 --- /dev/null +++ b/Viruses/Q159G5/Q159G5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:87086b9bb5f332a5cd75382faf178a4275e7e331893538f6b746655af0192769 +size 9800276 diff --git a/Viruses/Q159G5/top.pdb b/Viruses/Q159G5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2292d3b82ebd1154cbdc4fd4d0080d812e773dde --- /dev/null +++ b/Viruses/Q159G5/top.pdb @@ -0,0 +1,79 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 269.159 250.951 265.066 1.00 0.00 C +ATOM 2 CA GLY A 2 269.774 253.102 261.982 1.00 0.00 C +ATOM 3 CA GLY A 3 268.098 255.692 259.746 1.00 0.00 C +ATOM 4 CA GLY A 4 265.341 258.322 259.764 1.00 0.00 C +ATOM 5 CA GLY A 5 262.237 257.941 261.939 1.00 0.00 C +ATOM 6 CA VAL A 6 260.227 258.531 265.122 1.00 0.00 C +ATOM 7 CA GLU A 7 259.078 261.876 266.536 1.00 0.00 C +ATOM 8 CA GLN A 8 256.393 264.494 267.210 1.00 0.00 C +ATOM 9 CA SER A 9 252.863 263.672 268.386 1.00 0.00 C +ATOM 10 CA TRP A 10 249.515 261.905 267.959 1.00 0.00 C +ATOM 11 CA ALA A 11 249.440 258.285 269.146 1.00 0.00 C +ATOM 12 CA GLN A 12 247.828 256.514 272.109 1.00 0.00 C +ATOM 13 CA SER A 13 247.567 255.735 275.829 1.00 0.00 C +ATOM 14 CA SER A 14 247.417 254.950 279.555 1.00 0.00 C +ATOM 15 CA SER A 15 247.824 254.723 283.336 1.00 0.00 C +ATOM 16 CA VAL A 16 247.401 252.335 286.274 1.00 0.00 C +ATOM 17 CA SER A 17 245.064 249.410 286.984 1.00 0.00 C +ATOM 18 CA GLY A 18 245.632 246.316 289.133 1.00 0.00 C +ATOM 19 CA GLY A 19 244.009 243.141 287.792 1.00 0.00 C +ATOM 20 CA GLY A 20 241.963 240.976 285.416 1.00 0.00 C +ATOM 21 CA GLY A 21 240.524 239.899 282.056 1.00 0.00 C +ATOM 22 CA VAL A 22 239.969 240.661 278.365 1.00 0.00 C +ATOM 23 CA GLN A 23 242.828 240.139 275.901 1.00 0.00 C +ATOM 24 CA ILE A 24 243.535 239.798 272.173 1.00 0.00 C +ATOM 25 CA GLY A 25 243.431 236.095 271.284 1.00 0.00 C +ATOM 26 CA GLY A 26 246.347 234.040 269.946 1.00 0.00 C +ATOM 27 CA TRP A 27 248.724 231.456 268.467 1.00 0.00 C +ATOM 28 CA GLU A 28 249.144 232.183 264.751 1.00 0.00 C +ATOM 29 CA PRO A 29 252.473 233.564 263.514 1.00 0.00 C +ATOM 30 CA GLU A 30 252.767 237.143 262.242 1.00 0.00 C +ATOM 31 CA GLN A 31 254.846 240.162 263.282 1.00 0.00 C +ATOM 32 CA CYS A 32 257.245 242.034 260.990 1.00 0.00 C +ATOM 33 CA GLY A 33 258.874 240.510 257.901 1.00 0.00 C +ATOM 34 CA ALA A 34 257.791 241.149 254.305 1.00 0.00 C +ATOM 35 CA LEU A 35 258.538 242.360 250.770 1.00 0.00 C +ATOM 36 CA GLY A 36 258.079 245.353 248.458 1.00 0.00 C +ATOM 37 CA SER A 37 260.410 245.794 245.477 1.00 0.00 C +ATOM 38 CA SER A 38 263.404 243.970 243.985 1.00 0.00 C +ATOM 39 CA GLY A 39 264.479 240.617 245.441 1.00 0.00 C +ATOM 40 CA GLU A 40 265.538 237.285 243.928 1.00 0.00 C +ATOM 41 CA GLY A 41 262.679 235.123 242.635 1.00 0.00 C +ATOM 42 CA GLY A 42 260.545 234.481 239.545 1.00 0.00 C +ATOM 43 CA GLY A 43 260.541 231.602 237.049 1.00 0.00 C +ATOM 44 CA GLY A 44 257.329 232.017 235.043 1.00 0.00 C +ATOM 45 CA VAL A 45 254.889 234.453 233.421 1.00 0.00 C +ATOM 46 CA GLN A 46 256.731 237.787 233.483 1.00 0.00 C +ATOM 47 CA MET A 47 260.094 238.986 232.153 1.00 0.00 C +ATOM 48 CA GLY A 48 262.248 238.904 229.012 1.00 0.00 C +ATOM 49 CA GLY A 49 259.875 238.597 226.048 1.00 0.00 C +ATOM 50 CA SER A 50 256.593 240.369 226.824 1.00 0.00 C +ATOM 51 CA GLY A 51 253.088 239.637 225.522 1.00 0.00 C +ATOM 52 CA THR A 52 250.910 242.264 227.216 1.00 0.00 C +ATOM 53 CA GLY A 53 248.266 244.742 226.040 1.00 0.00 C +ATOM 54 CA SER A 54 246.999 247.070 223.303 1.00 0.00 C +ATOM 55 CA CYS A 55 245.165 249.991 224.923 1.00 0.00 C +ATOM 56 CA GLY A 56 242.373 249.758 227.504 1.00 0.00 C +ATOM 57 CA VAL A 57 239.870 252.236 228.957 1.00 0.00 C +ATOM 58 CA VAL A 58 237.431 254.631 230.641 1.00 0.00 C +ATOM 59 CA SER A 59 235.431 256.022 233.570 1.00 0.00 C +ATOM 60 CA SER A 60 235.756 259.281 235.517 1.00 0.00 C +ATOM 61 CA PRO A 61 236.464 262.989 236.033 1.00 0.00 C +ATOM 62 CA ARG A 62 238.728 265.996 235.443 1.00 0.00 C +ATOM 63 CA VAL A 63 238.026 268.894 233.071 1.00 0.00 C +ATOM 64 CA THR A 64 235.571 270.851 230.912 1.00 0.00 C +ATOM 65 CA VAL A 65 232.485 272.114 229.070 1.00 0.00 C +ATOM 66 CA ARG A 66 231.803 271.553 225.364 1.00 0.00 C +ATOM 67 CA GLY A 67 232.612 267.908 224.603 1.00 0.00 C +ATOM 68 CA THR A 68 235.326 267.994 221.930 1.00 0.00 C +ATOM 69 CA ALA A 69 238.839 268.994 223.014 1.00 0.00 C +ATOM 70 CA ILE A 70 240.509 266.342 225.180 1.00 0.00 C +ATOM 71 CA GLY A 71 241.986 265.828 228.655 1.00 0.00 C +ATOM 72 CA GLN A 72 244.542 267.293 231.070 1.00 0.00 C +ATOM 73 CA THR A 73 245.599 267.190 234.730 1.00 0.00 C +ATOM 74 CA GLY A 74 247.148 264.006 236.135 1.00 0.00 C +ATOM 75 CA SER A 75 247.772 261.011 233.864 1.00 0.00 C +TER 76 SER A 75 +END diff --git a/Viruses/Q159M3/Q159M3.dcd b/Viruses/Q159M3/Q159M3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..07602520e3c7381e2f94df86b97125c7c314a4b1 --- /dev/null +++ b/Viruses/Q159M3/Q159M3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:215fe6725a8fcf6c64791264ca97cefcaa1f1dfc90aabdfb53c8a9f9a510b9ed +size 5480276 diff --git a/Viruses/Q159M3/top.pdb b/Viruses/Q159M3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5981d6589d8a4e10912d7f61fd7d1c6e68add148 --- /dev/null +++ b/Viruses/Q159M3/top.pdb @@ -0,0 +1,43 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 259.073 255.442 245.136 1.00 0.00 C +ATOM 2 CA GLY A 2 259.368 258.154 247.795 1.00 0.00 C +ATOM 3 CA GLY A 3 255.943 259.823 247.822 1.00 0.00 C +ATOM 4 CA GLY A 4 252.899 259.548 250.096 1.00 0.00 C +ATOM 5 CA GLY A 5 252.491 258.209 253.639 1.00 0.00 C +ATOM 6 CA VAL A 6 250.094 258.991 256.496 1.00 0.00 C +ATOM 7 CA GLU A 7 251.908 257.877 259.656 1.00 0.00 C +ATOM 8 CA GLN A 8 251.546 257.221 263.391 1.00 0.00 C +ATOM 9 CA SER A 9 251.809 254.763 266.291 1.00 0.00 C +ATOM 10 CA TRP A 10 255.214 253.065 266.095 1.00 0.00 C +ATOM 11 CA ALA A 11 256.042 249.593 267.427 1.00 0.00 C +ATOM 12 CA GLN A 12 258.698 247.280 268.880 1.00 0.00 C +ATOM 13 CA SER A 13 262.332 247.629 267.791 1.00 0.00 C +ATOM 14 CA SER A 14 264.319 244.536 268.791 1.00 0.00 C +ATOM 15 CA SER A 15 267.153 244.229 266.263 1.00 0.00 C +ATOM 16 CA VAL A 16 266.604 241.922 263.281 1.00 0.00 C +ATOM 17 CA SER A 17 263.277 242.172 261.440 1.00 0.00 C +ATOM 18 CA GLY A 18 262.177 243.711 258.133 1.00 0.00 C +ATOM 19 CA GLY A 19 261.485 244.768 254.538 1.00 0.00 C +ATOM 20 CA GLY A 20 258.885 247.553 254.583 1.00 0.00 C +ATOM 21 CA GLY A 21 256.206 249.682 252.909 1.00 0.00 C +ATOM 22 CA GLY A 22 252.966 250.501 251.079 1.00 0.00 C +ATOM 23 CA THR A 23 249.463 251.797 250.328 1.00 0.00 C +ATOM 24 CA ASP A 24 247.978 253.785 247.437 1.00 0.00 C +ATOM 25 CA ARG A 25 247.333 255.901 244.335 1.00 0.00 C +ATOM 26 CA ARG A 26 248.373 256.323 240.694 1.00 0.00 C +ATOM 27 CA LEU A 27 245.194 256.051 238.612 1.00 0.00 C +ATOM 28 CA GLY A 28 241.447 255.427 238.320 1.00 0.00 C +ATOM 29 CA THR A 29 237.937 256.860 237.940 1.00 0.00 C +ATOM 30 CA GLY A 30 235.803 254.469 235.879 1.00 0.00 C +ATOM 31 CA ALA A 31 233.169 253.127 233.475 1.00 0.00 C +ATOM 32 CA MET A 32 230.814 250.138 233.662 1.00 0.00 C +ATOM 33 CA TRP A 33 230.560 247.174 236.043 1.00 0.00 C +ATOM 34 CA SER A 34 232.741 244.338 234.733 1.00 0.00 C +ATOM 35 CA VAL A 35 234.920 241.893 236.681 1.00 0.00 C +ATOM 36 CA ARG A 36 237.460 239.126 237.316 1.00 0.00 C +ATOM 37 CA PHE A 37 241.252 238.822 237.109 1.00 0.00 C +ATOM 38 CA ILE A 38 242.311 235.219 236.465 1.00 0.00 C +ATOM 39 CA ARG A 39 242.756 232.882 239.441 1.00 0.00 C +TER 40 ARG A 39 +END diff --git a/Viruses/Q19B12/Q19B12.dcd b/Viruses/Q19B12/Q19B12.dcd new file mode 100644 index 0000000000000000000000000000000000000000..0d344d7247e615e4ebec19c8550186a62419af65 --- /dev/null +++ b/Viruses/Q19B12/Q19B12.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:05ad706b0e2059a6b0f1307f9cb1851d7778f3cfb7f3cf6efb3143905deb4a17 +size 7760276 diff --git a/Viruses/Q19B12/top.pdb b/Viruses/Q19B12/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8dbd3387606897ff7bf540b0896b7943c60f0751 --- /dev/null +++ b/Viruses/Q19B12/top.pdb @@ -0,0 +1,62 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 225.974 242.123 200.804 1.00 0.00 C +ATOM 2 CA GLY A 2 225.543 242.865 204.516 1.00 0.00 C +ATOM 3 CA LYS A 3 225.825 244.278 208.043 1.00 0.00 C +ATOM 4 CA TYR A 4 226.831 245.223 211.594 1.00 0.00 C +ATOM 5 CA SER A 5 228.841 247.840 213.499 1.00 0.00 C +ATOM 6 CA ARG A 6 229.046 248.333 217.271 1.00 0.00 C +ATOM 7 CA SER A 7 226.776 248.679 220.311 1.00 0.00 C +ATOM 8 CA HIS A 8 227.811 251.253 222.923 1.00 0.00 C +ATOM 9 CA LYS A 9 228.835 254.496 224.640 1.00 0.00 C +ATOM 10 CA ILE A 10 232.012 256.272 223.514 1.00 0.00 C +ATOM 11 CA ASN A 11 233.645 258.700 225.954 1.00 0.00 C +ATOM 12 CA THR A 12 236.093 258.805 228.872 1.00 0.00 C +ATOM 13 CA ASN A 13 238.501 257.599 231.567 1.00 0.00 C +ATOM 14 CA HIS A 14 241.947 258.583 230.274 1.00 0.00 C +ATOM 15 CA PRO A 15 244.231 255.537 230.131 1.00 0.00 C +ATOM 16 CA VAL A 16 246.710 253.832 232.468 1.00 0.00 C +ATOM 17 CA PHE A 17 250.171 254.813 233.725 1.00 0.00 C +ATOM 18 CA PRO A 18 253.146 255.549 235.988 1.00 0.00 C +ATOM 19 CA HIS A 19 254.299 259.166 235.671 1.00 0.00 C +ATOM 20 CA GLN A 20 255.107 262.847 236.231 1.00 0.00 C +ATOM 21 CA LYS A 21 253.327 264.622 239.094 1.00 0.00 C +ATOM 22 CA SER A 22 249.895 263.268 240.046 1.00 0.00 C +ATOM 23 CA PRO A 23 249.431 263.979 243.761 1.00 0.00 C +ATOM 24 CA CYS A 24 250.878 263.320 247.223 1.00 0.00 C +ATOM 25 CA ARG A 25 254.250 261.545 247.234 1.00 0.00 C +ATOM 26 CA GLU A 26 256.854 259.319 245.568 1.00 0.00 C +ATOM 27 CA ASP A 27 260.571 258.489 245.692 1.00 0.00 C +ATOM 28 CA GLY A 28 262.580 256.441 248.198 1.00 0.00 C +ATOM 29 CA PHE A 29 264.990 253.541 248.746 1.00 0.00 C +ATOM 30 CA GLU A 30 266.925 253.665 252.026 1.00 0.00 C +ATOM 31 CA ASP A 31 266.582 250.701 254.395 1.00 0.00 C +ATOM 32 CA ARG A 32 263.718 248.565 255.718 1.00 0.00 C +ATOM 33 CA ARG A 33 260.935 246.224 256.857 1.00 0.00 C +ATOM 34 CA LEU A 34 259.216 247.918 259.805 1.00 0.00 C +ATOM 35 CA ASP A 35 255.711 249.383 260.103 1.00 0.00 C +ATOM 36 CA ARG A 36 254.701 248.850 263.737 1.00 0.00 C +ATOM 37 CA GLU A 37 255.269 251.746 266.147 1.00 0.00 C +ATOM 38 CA ARG A 38 254.448 253.436 269.461 1.00 0.00 C +ATOM 39 CA ALA A 39 255.517 254.778 272.863 1.00 0.00 C +ATOM 40 CA GLN A 40 254.289 252.194 275.379 1.00 0.00 C +ATOM 41 CA LYS A 41 253.225 249.944 278.263 1.00 0.00 C +ATOM 42 CA LYS A 42 249.809 248.546 277.318 1.00 0.00 C +ATOM 43 CA LYS A 43 246.030 248.365 276.866 1.00 0.00 C +ATOM 44 CA LYS A 44 245.085 244.861 278.026 1.00 0.00 C +ATOM 45 CA LYS A 45 246.550 242.157 275.778 1.00 0.00 C +ATOM 46 CA ASN A 46 247.773 241.036 272.348 1.00 0.00 C +ATOM 47 CA GLY A 47 249.304 243.398 269.780 1.00 0.00 C +ATOM 48 CA GLY A 48 251.823 244.757 267.264 1.00 0.00 C +ATOM 49 CA MET A 49 254.092 241.899 266.168 1.00 0.00 C +ATOM 50 CA GLY A 50 256.361 238.883 265.650 1.00 0.00 C +ATOM 51 CA LEU A 51 259.836 239.133 267.193 1.00 0.00 C +ATOM 52 CA TYR A 52 259.957 240.282 270.824 1.00 0.00 C +ATOM 53 CA SER A 53 263.511 239.691 272.063 1.00 0.00 C +ATOM 54 CA LYS A 54 263.525 237.492 275.175 1.00 0.00 C +ATOM 55 CA LYS A 55 264.102 235.306 278.242 1.00 0.00 C +ATOM 56 CA CYS A 56 267.454 235.121 280.043 1.00 0.00 C +ATOM 57 CA LYS A 57 268.979 234.068 283.372 1.00 0.00 C +ATOM 58 CA ARG A 58 271.156 236.284 285.578 1.00 0.00 C +TER 59 ARG A 58 +END diff --git a/Viruses/Q19B37/Q19B37.dcd b/Viruses/Q19B37/Q19B37.dcd new file mode 100644 index 0000000000000000000000000000000000000000..3e9abb6dbc0b242b022bccd8eaccddcdbfe69296 --- /dev/null +++ b/Viruses/Q19B37/Q19B37.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1a46e4445966e52f25544824539df9775d7c56da7f63e589fcb2baa381825e0d +size 5240276 diff --git a/Viruses/Q19B37/top.pdb b/Viruses/Q19B37/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b3a361fd85438a55075288ed4afcbc0b04882c23 --- /dev/null +++ b/Viruses/Q19B37/top.pdb @@ -0,0 +1,41 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 245.804 270.777 264.922 1.00 0.00 C +ATOM 2 CA GLN A 2 242.966 271.977 262.681 1.00 0.00 C +ATOM 3 CA THR A 3 244.234 273.535 259.444 1.00 0.00 C +ATOM 4 CA ARG A 4 246.895 271.430 257.711 1.00 0.00 C +ATOM 5 CA CYS A 5 249.601 269.206 256.211 1.00 0.00 C +ATOM 6 CA CYS A 6 250.934 265.882 257.509 1.00 0.00 C +ATOM 7 CA ARG A 7 249.611 262.883 259.451 1.00 0.00 C +ATOM 8 CA GLY A 8 251.358 259.825 257.997 1.00 0.00 C +ATOM 9 CA LYS A 9 252.364 257.381 255.252 1.00 0.00 C +ATOM 10 CA LYS A 10 249.922 257.852 252.366 1.00 0.00 C +ATOM 11 CA ARG A 11 251.853 258.689 249.190 1.00 0.00 C +ATOM 12 CA GLY A 12 254.909 259.740 247.172 1.00 0.00 C +ATOM 13 CA THR A 13 254.732 260.892 243.545 1.00 0.00 C +ATOM 14 CA VAL A 14 251.078 260.387 242.592 1.00 0.00 C +ATOM 15 CA PRO A 15 247.887 261.596 244.289 1.00 0.00 C +ATOM 16 CA PHE A 16 245.652 259.685 246.711 1.00 0.00 C +ATOM 17 CA SER A 17 242.044 259.213 247.840 1.00 0.00 C +ATOM 18 CA THR A 18 239.310 258.451 250.382 1.00 0.00 C +ATOM 19 CA GLN A 19 240.603 256.115 253.100 1.00 0.00 C +ATOM 20 CA MET A 20 240.967 252.503 251.942 1.00 0.00 C +ATOM 21 CA GLY A 21 242.923 249.646 253.531 1.00 0.00 C +ATOM 22 CA PRO A 22 244.342 246.171 254.186 1.00 0.00 C +ATOM 23 CA PRO A 23 245.740 243.811 256.830 1.00 0.00 C +ATOM 24 CA PRO A 24 248.941 242.211 255.525 1.00 0.00 C +ATOM 25 CA PRO A 25 252.727 242.179 255.092 1.00 0.00 C +ATOM 26 CA LYS A 26 254.357 239.717 252.685 1.00 0.00 C +ATOM 27 CA LYS A 27 252.865 237.443 250.017 1.00 0.00 C +ATOM 28 CA LYS A 28 253.273 237.231 246.234 1.00 0.00 C +ATOM 29 CA LYS A 29 253.038 233.820 244.553 1.00 0.00 C +ATOM 30 CA GLU A 30 251.939 230.356 245.696 1.00 0.00 C +ATOM 31 CA PRO A 31 252.171 226.570 246.053 1.00 0.00 C +ATOM 32 CA CYS A 32 253.185 225.020 242.724 1.00 0.00 C +ATOM 33 CA LEU A 33 253.177 226.418 239.179 1.00 0.00 C +ATOM 34 CA PRO A 34 255.249 228.018 236.412 1.00 0.00 C +ATOM 35 CA PRO A 35 259.001 228.673 236.305 1.00 0.00 C +ATOM 36 CA ARG A 36 261.539 231.463 235.773 1.00 0.00 C +ATOM 37 CA LYS A 37 262.809 233.235 238.897 1.00 0.00 C +TER 38 LYS A 37 +END diff --git a/Viruses/Q19CE6/Q19CE6.dcd b/Viruses/Q19CE6/Q19CE6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..6aafbe0c531a0b1bfe86c60e4a3945531f10d63f --- /dev/null +++ b/Viruses/Q19CE6/Q19CE6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b947ef471577d7c2eb01014ab54c55e5f3aefe0b7e505b5d2125a48d00e04c0e +size 5600276 diff --git a/Viruses/Q19CE6/top.pdb b/Viruses/Q19CE6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d45d3e4f189a7c82172a0e59c08210344e8f546f --- /dev/null +++ b/Viruses/Q19CE6/top.pdb @@ -0,0 +1,44 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 261.903 244.665 226.606 1.00 0.00 C +ATOM 2 CA ASN A 2 258.807 244.287 224.417 1.00 0.00 C +ATOM 3 CA PRO A 3 255.625 242.659 225.736 1.00 0.00 C +ATOM 4 CA VAL A 4 252.421 242.769 227.794 1.00 0.00 C +ATOM 5 CA ALA A 5 249.128 242.080 229.584 1.00 0.00 C +ATOM 6 CA LYS A 6 246.089 244.005 230.837 1.00 0.00 C +ATOM 7 CA HIS A 7 242.766 242.210 231.340 1.00 0.00 C +ATOM 8 CA ASP A 8 240.685 240.171 233.795 1.00 0.00 C +ATOM 9 CA PHE A 9 241.321 238.708 237.255 1.00 0.00 C +ATOM 10 CA ASN A 10 238.717 236.917 239.384 1.00 0.00 C +ATOM 11 CA LYS A 11 235.828 238.571 241.238 1.00 0.00 C +ATOM 12 CA GLY A 12 234.015 241.811 240.384 1.00 0.00 C +ATOM 13 CA GLY A 13 232.889 245.434 240.734 1.00 0.00 C +ATOM 14 CA ALA A 14 232.576 247.305 244.038 1.00 0.00 C +ATOM 15 CA HIS A 15 231.237 244.900 246.672 1.00 0.00 C +ATOM 16 CA VAL A 16 233.467 245.085 249.755 1.00 0.00 C +ATOM 17 CA ASP A 17 237.008 244.670 248.409 1.00 0.00 C +ATOM 18 CA LYS A 18 240.173 245.600 246.504 1.00 0.00 C +ATOM 19 CA LYS A 19 240.650 248.031 243.609 1.00 0.00 C +ATOM 20 CA ARG A 20 242.878 250.927 244.688 1.00 0.00 C +ATOM 21 CA ARG A 21 246.050 252.660 245.891 1.00 0.00 C +ATOM 22 CA LEU A 22 245.468 256.043 247.545 1.00 0.00 C +ATOM 23 CA LYS A 23 248.410 258.275 246.609 1.00 0.00 C +ATOM 24 CA GLU A 24 252.121 258.200 247.469 1.00 0.00 C +ATOM 25 CA LYS A 25 254.633 255.614 248.701 1.00 0.00 C +ATOM 26 CA ARG A 26 257.036 255.285 251.639 1.00 0.00 C +ATOM 27 CA LYS A 27 255.342 253.105 254.264 1.00 0.00 C +ATOM 28 CA GLN A 28 252.578 255.008 256.068 1.00 0.00 C +ATOM 29 CA LYS A 29 252.969 256.567 259.522 1.00 0.00 C +ATOM 30 CA HIS A 30 251.202 254.981 262.502 1.00 0.00 C +ATOM 31 CA LYS A 31 252.410 254.501 266.084 1.00 0.00 C +ATOM 32 CA LYS A 32 255.682 252.609 266.559 1.00 0.00 C +ATOM 33 CA VAL A 33 258.672 252.437 268.914 1.00 0.00 C +ATOM 34 CA TYR A 34 260.607 254.671 271.319 1.00 0.00 C +ATOM 35 CA ASN A 35 264.284 255.288 272.103 1.00 0.00 C +ATOM 36 CA ASP A 36 267.833 256.666 272.258 1.00 0.00 C +ATOM 37 CA GLY A 37 269.428 258.714 275.047 1.00 0.00 C +ATOM 38 CA THR A 38 267.461 260.119 277.992 1.00 0.00 C +ATOM 39 CA ASN A 39 268.103 263.727 279.035 1.00 0.00 C +ATOM 40 CA TYR A 40 271.528 264.726 277.699 1.00 0.00 C +TER 41 TYR A 40 +END diff --git a/Viruses/Q19CW0/Q19CW0.dcd b/Viruses/Q19CW0/Q19CW0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..493d0230fc2f61b90fc6ed9083fcfeafed6c4e50 --- /dev/null +++ b/Viruses/Q19CW0/Q19CW0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fa0c203595724e8ad4691565251fbf535e28b6094507405bbb3c6e8e3aef9ee5 +size 4760276 diff --git a/Viruses/Q19CW0/top.pdb b/Viruses/Q19CW0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..db88c9769e88461d01071e8cd5793356a0473a9e --- /dev/null +++ b/Viruses/Q19CW0/top.pdb @@ -0,0 +1,37 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 263.968 266.206 252.361 1.00 0.00 C +ATOM 2 CA GLU A 2 260.658 266.688 250.537 1.00 0.00 C +ATOM 3 CA GLY A 3 257.628 267.674 248.448 1.00 0.00 C +ATOM 4 CA TYR A 4 256.709 266.138 245.084 1.00 0.00 C +ATOM 5 CA ILE A 5 254.147 263.333 245.377 1.00 0.00 C +ATOM 6 CA VAL A 6 251.195 262.839 247.734 1.00 0.00 C +ATOM 7 CA GLN A 7 249.798 259.747 249.467 1.00 0.00 C +ATOM 8 CA GLN A 8 250.445 256.327 251.017 1.00 0.00 C +ATOM 9 CA LYS A 9 249.137 255.446 254.486 1.00 0.00 C +ATOM 10 CA PHE A 10 246.321 257.926 255.144 1.00 0.00 C +ATOM 11 CA VAL A 11 243.205 259.069 253.273 1.00 0.00 C +ATOM 12 CA ARG A 12 239.663 258.664 254.616 1.00 0.00 C +ATOM 13 CA THR A 13 236.862 257.093 252.565 1.00 0.00 C +ATOM 14 CA ASP A 14 237.473 255.947 248.983 1.00 0.00 C +ATOM 15 CA ILE A 15 240.883 255.011 247.566 1.00 0.00 C +ATOM 16 CA PRO A 16 242.745 252.573 249.826 1.00 0.00 C +ATOM 17 CA ALA A 17 245.471 250.066 248.932 1.00 0.00 C +ATOM 18 CA PRO A 18 248.897 249.058 247.603 1.00 0.00 C +ATOM 19 CA GLU A 19 251.892 248.800 245.262 1.00 0.00 C +ATOM 20 CA PRO A 20 252.113 246.358 242.346 1.00 0.00 C +ATOM 21 CA GLU A 21 251.075 243.512 240.036 1.00 0.00 C +ATOM 22 CA LYS A 22 247.680 242.338 241.307 1.00 0.00 C +ATOM 23 CA GLU A 23 245.214 239.434 241.264 1.00 0.00 C +ATOM 24 CA ASP A 24 242.431 239.784 243.843 1.00 0.00 C +ATOM 25 CA GLU A 25 244.110 239.635 247.260 1.00 0.00 C +ATOM 26 CA SER A 26 246.981 237.968 249.128 1.00 0.00 C +ATOM 27 CA GLU A 27 249.913 237.297 251.467 1.00 0.00 C +ATOM 28 CA ASN A 28 250.834 235.166 254.488 1.00 0.00 C +ATOM 29 CA PRO A 29 254.228 233.466 254.165 1.00 0.00 C +ATOM 30 CA LYS A 30 257.450 234.823 255.678 1.00 0.00 C +ATOM 31 CA THR A 31 260.124 234.501 258.373 1.00 0.00 C +ATOM 32 CA ASP A 32 260.152 236.692 261.490 1.00 0.00 C +ATOM 33 CA GLU A 33 260.598 240.426 260.876 1.00 0.00 C +TER 34 GLU A 33 +END diff --git a/Viruses/Q19D16/Q19D16.dcd b/Viruses/Q19D16/Q19D16.dcd new file mode 100644 index 0000000000000000000000000000000000000000..73da54b99a9a91ead49d6cb09fa9fedc879e5154 --- /dev/null +++ b/Viruses/Q19D16/Q19D16.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:722d5a98431f9bed8e367138ab3fd5a749ebf85bf76b63421ca5a7d4966bd6cb +size 4520276 diff --git a/Viruses/Q19D16/top.pdb b/Viruses/Q19D16/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..77876a54f6ec4da807ff52011f63e34a93954865 --- /dev/null +++ b/Viruses/Q19D16/top.pdb @@ -0,0 +1,35 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 242.589 257.380 258.747 1.00 0.00 C +ATOM 2 CA LYS A 2 241.007 254.419 256.947 1.00 0.00 C +ATOM 3 CA ALA A 3 238.673 253.417 254.107 1.00 0.00 C +ATOM 4 CA ARG A 4 235.245 252.602 255.555 1.00 0.00 C +ATOM 5 CA PHE A 5 233.156 251.234 258.433 1.00 0.00 C +ATOM 6 CA LYS A 6 232.596 247.566 259.296 1.00 0.00 C +ATOM 7 CA SER A 7 231.927 245.554 262.462 1.00 0.00 C +ATOM 8 CA GLU A 8 235.023 243.723 263.718 1.00 0.00 C +ATOM 9 CA ARG A 9 238.452 244.919 262.566 1.00 0.00 C +ATOM 10 CA SER A 10 241.986 246.088 261.754 1.00 0.00 C +ATOM 11 CA THR A 11 245.789 246.208 261.942 1.00 0.00 C +ATOM 12 CA PRO A 12 249.322 247.614 262.180 1.00 0.00 C +ATOM 13 CA ALA A 13 252.187 246.919 259.766 1.00 0.00 C +ATOM 14 CA VAL A 14 251.983 244.014 257.310 1.00 0.00 C +ATOM 15 CA HIS A 15 253.346 244.643 253.808 1.00 0.00 C +ATOM 16 CA GLN A 16 254.571 245.693 250.356 1.00 0.00 C +ATOM 17 CA LEU A 17 253.940 245.192 246.632 1.00 0.00 C +ATOM 18 CA ARG A 18 251.959 241.958 246.267 1.00 0.00 C +ATOM 19 CA ARG A 19 248.779 242.257 244.190 1.00 0.00 C +ATOM 20 CA LYS A 20 247.949 245.614 242.591 1.00 0.00 C +ATOM 21 CA ALA A 21 247.871 248.714 244.806 1.00 0.00 C +ATOM 22 CA LEU A 22 250.391 251.125 246.339 1.00 0.00 C +ATOM 23 CA GLY A 23 253.788 252.348 245.122 1.00 0.00 C +ATOM 24 CA ASN A 24 254.621 254.176 241.884 1.00 0.00 C +ATOM 25 CA TRP A 25 257.985 253.342 240.303 1.00 0.00 C +ATOM 26 CA SER A 26 259.976 256.446 239.347 1.00 0.00 C +ATOM 27 CA SER A 27 261.868 257.492 236.210 1.00 0.00 C +ATOM 28 CA GLY A 28 265.564 257.193 235.334 1.00 0.00 C +ATOM 29 CA ARG A 29 269.277 257.542 234.551 1.00 0.00 C +ATOM 30 CA HIS A 30 272.843 258.731 233.933 1.00 0.00 C +ATOM 31 CA LYS A 31 275.338 255.877 233.545 1.00 0.00 C +TER 32 LYS A 31 +END diff --git a/Viruses/Q19NX3/Q19NX3.dcd b/Viruses/Q19NX3/Q19NX3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..ef2a595f6bca01a65b0dc9c8e6c79992ba8dcea2 --- /dev/null +++ b/Viruses/Q19NX3/Q19NX3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:304cb980b09e6679b699ea39100a2cb1ee2b004590c62ac4c39c884872fbd369 +size 11480276 diff --git a/Viruses/Q19NX3/top.pdb b/Viruses/Q19NX3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..220f17a7061a50ecdb3f72d24aef5ebf3eee6210 --- /dev/null +++ b/Viruses/Q19NX3/top.pdb @@ -0,0 +1,93 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA SER A 1 273.678 253.419 240.679 1.00 0.00 C +ATOM 2 CA SER A 2 277.448 253.843 240.326 1.00 0.00 C +ATOM 3 CA SER A 3 279.881 256.354 238.811 1.00 0.00 C +ATOM 4 CA SER A 4 281.080 258.869 241.410 1.00 0.00 C +ATOM 5 CA GLY A 5 281.088 261.135 244.472 1.00 0.00 C +ATOM 6 CA SER A 6 283.421 264.133 244.772 1.00 0.00 C +ATOM 7 CA PRO A 7 284.801 264.759 248.268 1.00 0.00 C +ATOM 8 CA PRO A 8 284.097 268.295 249.501 1.00 0.00 C +ATOM 9 CA ARG A 9 285.412 269.270 252.942 1.00 0.00 C +ATOM 10 CA ARG A 10 286.307 267.234 256.035 1.00 0.00 C +ATOM 11 CA PRO A 11 285.630 263.540 255.394 1.00 0.00 C +ATOM 12 CA PRO A 12 286.026 259.881 256.377 1.00 0.00 C +ATOM 13 CA PRO A 13 286.881 256.360 255.199 1.00 0.00 C +ATOM 14 CA GLY A 14 289.273 253.395 255.152 1.00 0.00 C +ATOM 15 CA ARG A 15 292.244 254.160 252.893 1.00 0.00 C +ATOM 16 CA ARG A 16 291.265 254.069 249.212 1.00 0.00 C +ATOM 17 CA PRO A 17 288.127 255.641 247.728 1.00 0.00 C +ATOM 18 CA PHE A 18 285.909 253.605 245.393 1.00 0.00 C +ATOM 19 CA PHE A 19 283.898 250.766 246.945 1.00 0.00 C +ATOM 20 CA HIS A 20 282.044 252.332 249.882 1.00 0.00 C +ATOM 21 CA PRO A 21 281.172 251.695 253.536 1.00 0.00 C +ATOM 22 CA VAL A 22 277.515 251.888 254.588 1.00 0.00 C +ATOM 23 CA GLY A 23 277.432 254.202 257.614 1.00 0.00 C +ATOM 24 CA ASP A 24 277.263 256.871 260.327 1.00 0.00 C +ATOM 25 CA ALA A 25 273.998 256.455 262.245 1.00 0.00 C +ATOM 26 CA ASP A 26 271.077 256.292 259.804 1.00 0.00 C +ATOM 27 CA TYR A 27 269.450 256.479 256.364 1.00 0.00 C +ATOM 28 CA PHE A 28 266.682 253.964 255.636 1.00 0.00 C +ATOM 29 CA GLU A 29 267.697 250.297 255.450 1.00 0.00 C +ATOM 30 CA TYR A 30 265.043 247.718 254.540 1.00 0.00 C +ATOM 31 CA LEU A 31 263.460 244.673 252.886 1.00 0.00 C +ATOM 32 CA GLN A 32 263.437 243.873 249.161 1.00 0.00 C +ATOM 33 CA GLU A 33 265.796 244.712 246.290 1.00 0.00 C +ATOM 34 CA GLY A 34 266.078 245.676 242.614 1.00 0.00 C +ATOM 35 CA GLY A 35 264.219 247.608 239.908 1.00 0.00 C +ATOM 36 CA PRO A 36 263.775 249.860 236.867 1.00 0.00 C +ATOM 37 CA ASP A 37 262.731 253.007 234.990 1.00 0.00 C +ATOM 38 CA GLY A 38 261.952 256.601 233.993 1.00 0.00 C +ATOM 39 CA GLU A 39 259.841 256.493 230.823 1.00 0.00 C +ATOM 40 CA PRO A 40 258.468 256.470 227.269 1.00 0.00 C +ATOM 41 CA ASP A 41 255.231 256.577 225.263 1.00 0.00 C +ATOM 42 CA VAL A 42 252.255 255.837 227.524 1.00 0.00 C +ATOM 43 CA PRO A 43 248.757 256.802 228.684 1.00 0.00 C +ATOM 44 CA PRO A 44 245.356 257.953 227.410 1.00 0.00 C +ATOM 45 CA GLY A 45 243.118 255.844 225.162 1.00 0.00 C +ATOM 46 CA ALA A 46 240.660 258.268 223.549 1.00 0.00 C +ATOM 47 CA ILE A 47 237.565 257.019 221.711 1.00 0.00 C +ATOM 48 CA GLU A 48 235.504 255.346 218.978 1.00 0.00 C +ATOM 49 CA GLN A 49 236.793 254.233 215.570 1.00 0.00 C +ATOM 50 CA GLY A 50 239.803 256.475 214.914 1.00 0.00 C +ATOM 51 CA PRO A 51 242.935 254.524 215.860 1.00 0.00 C +ATOM 52 CA THR A 52 243.876 253.200 219.307 1.00 0.00 C +ATOM 53 CA ASP A 53 243.140 249.726 220.686 1.00 0.00 C +ATOM 54 CA ASP A 54 243.179 246.296 222.344 1.00 0.00 C +ATOM 55 CA PRO A 55 241.934 243.114 224.030 1.00 0.00 C +ATOM 56 CA GLY A 56 241.321 242.988 227.789 1.00 0.00 C +ATOM 57 CA GLU A 57 242.362 245.425 230.526 1.00 0.00 C +ATOM 58 CA GLY A 58 241.840 245.589 234.296 1.00 0.00 C +ATOM 59 CA PRO A 59 241.679 241.934 235.360 1.00 0.00 C +ATOM 60 CA SER A 60 238.465 239.904 235.624 1.00 0.00 C +ATOM 61 CA THR A 61 234.925 241.265 235.266 1.00 0.00 C +ATOM 62 CA GLY A 62 233.201 243.796 237.534 1.00 0.00 C +ATOM 63 CA PRO A 63 233.303 243.095 241.277 1.00 0.00 C +ATOM 64 CA ARG A 64 233.264 243.850 245.012 1.00 0.00 C +ATOM 65 CA GLY A 65 231.080 244.094 248.124 1.00 0.00 C +ATOM 66 CA GLN A 66 227.661 245.568 247.317 1.00 0.00 C +ATOM 67 CA GLY A 67 227.133 249.277 248.008 1.00 0.00 C +ATOM 68 CA ASP A 68 223.940 249.627 250.056 1.00 0.00 C +ATOM 69 CA GLY A 69 223.273 248.747 253.703 1.00 0.00 C +ATOM 70 CA GLY A 70 220.404 249.750 256.000 1.00 0.00 C +ATOM 71 CA ARG A 71 216.812 248.516 255.708 1.00 0.00 C +ATOM 72 CA ARG A 72 213.479 248.632 257.551 1.00 0.00 C +ATOM 73 CA LYS A 73 213.627 246.151 260.439 1.00 0.00 C +ATOM 74 CA LYS A 74 211.873 243.402 262.408 1.00 0.00 C +ATOM 75 CA GLY A 75 210.193 240.945 264.787 1.00 0.00 C +ATOM 76 CA GLY A 76 210.121 240.331 268.547 1.00 0.00 C +ATOM 77 CA TRP A 77 211.466 239.380 271.983 1.00 0.00 C +ATOM 78 CA PHE A 78 212.519 239.959 275.598 1.00 0.00 C +ATOM 79 CA GLY A 79 212.482 239.732 279.401 1.00 0.00 C +ATOM 80 CA LYS A 80 212.735 238.883 283.107 1.00 0.00 C +ATOM 81 CA HIS A 81 211.435 237.294 286.316 1.00 0.00 C +ATOM 82 CA ARG A 82 213.301 238.655 289.347 1.00 0.00 C +ATOM 83 CA GLY A 83 214.158 236.741 292.528 1.00 0.00 C +ATOM 84 CA GLN A 84 213.254 236.281 296.200 1.00 0.00 C +ATOM 85 CA GLY A 85 214.605 233.351 298.228 1.00 0.00 C +ATOM 86 CA GLY A 86 215.192 232.884 301.963 1.00 0.00 C +ATOM 87 CA SER A 87 215.275 236.381 303.472 1.00 0.00 C +ATOM 88 CA ASN A 88 218.148 238.882 303.546 1.00 0.00 C +ATOM 89 CA PRO A 89 219.768 241.582 305.691 1.00 0.00 C +TER 90 PRO A 89 +END diff --git a/Viruses/Q19UQ1/Q19UQ1.dcd b/Viruses/Q19UQ1/Q19UQ1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f08e700dec233078d0c9cbb84706f1d43a708bdd --- /dev/null +++ b/Viruses/Q19UQ1/Q19UQ1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:56132f725660d400f525c1a85b6d48f8aa7af6f87c0639a15b68a9b862c120d2 +size 7040276 diff --git a/Viruses/Q19UQ1/top.pdb b/Viruses/Q19UQ1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..21a001627b7cb02fffa84a05703c6db538adde0f --- /dev/null +++ b/Viruses/Q19UQ1/top.pdb @@ -0,0 +1,56 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 243.815 241.920 289.541 1.00 0.00 C +ATOM 2 CA ARG A 2 245.751 242.203 286.271 1.00 0.00 C +ATOM 3 CA ASN A 3 249.451 242.590 285.451 1.00 0.00 C +ATOM 4 CA LYS A 4 250.484 245.547 283.281 1.00 0.00 C +ATOM 5 CA ASP A 5 252.596 246.538 280.269 1.00 0.00 C +ATOM 6 CA ASN A 6 255.778 244.633 279.397 1.00 0.00 C +ATOM 7 CA THR A 7 258.700 243.495 281.562 1.00 0.00 C +ATOM 8 CA ALA A 8 261.470 242.794 284.082 1.00 0.00 C +ATOM 9 CA SER A 9 263.461 245.951 284.848 1.00 0.00 C +ATOM 10 CA LYS A 10 265.808 247.222 282.128 1.00 0.00 C +ATOM 11 CA GLN A 11 268.423 246.040 279.623 1.00 0.00 C +ATOM 12 CA ALA A 12 268.591 242.307 278.880 1.00 0.00 C +ATOM 13 CA SER A 13 270.032 239.891 276.311 1.00 0.00 C +ATOM 14 CA LYS A 14 269.497 240.047 272.542 1.00 0.00 C +ATOM 15 CA GLN A 15 266.225 241.799 271.679 1.00 0.00 C +ATOM 16 CA ALA A 16 265.871 242.317 267.921 1.00 0.00 C +ATOM 17 CA SER A 17 265.995 240.101 264.824 1.00 0.00 C +ATOM 18 CA LYS A 18 266.379 240.248 261.036 1.00 0.00 C +ATOM 19 CA GLN A 19 264.961 240.444 257.506 1.00 0.00 C +ATOM 20 CA ALA A 20 263.741 240.049 253.918 1.00 0.00 C +ATOM 21 CA SER A 21 262.305 242.835 251.753 1.00 0.00 C +ATOM 22 CA LYS A 22 264.303 244.061 248.750 1.00 0.00 C +ATOM 23 CA GLN A 23 263.370 244.404 245.072 1.00 0.00 C +ATOM 24 CA ALA A 24 260.296 246.483 244.209 1.00 0.00 C +ATOM 25 CA SER A 25 256.833 246.145 242.657 1.00 0.00 C +ATOM 26 CA LYS A 26 253.866 244.319 241.115 1.00 0.00 C +ATOM 27 CA GLN A 27 253.520 244.822 237.355 1.00 0.00 C +ATOM 28 CA ALA A 28 253.199 245.720 233.666 1.00 0.00 C +ATOM 29 CA SER A 29 253.216 248.885 231.546 1.00 0.00 C +ATOM 30 CA LYS A 30 255.080 251.600 229.629 1.00 0.00 C +ATOM 31 CA GLN A 31 253.645 254.050 227.089 1.00 0.00 C +ATOM 32 CA ALA A 32 249.947 254.196 226.183 1.00 0.00 C +ATOM 33 CA SER A 33 248.926 255.731 222.849 1.00 0.00 C +ATOM 34 CA LYS A 34 247.474 259.253 222.882 1.00 0.00 C +ATOM 35 CA GLN A 35 243.781 259.240 221.946 1.00 0.00 C +ATOM 36 CA ALA A 36 242.565 262.821 221.482 1.00 0.00 C +ATOM 37 CA SER A 37 239.568 264.070 219.488 1.00 0.00 C +ATOM 38 CA LYS A 38 236.041 262.909 220.342 1.00 0.00 C +ATOM 39 CA GLN A 39 233.971 265.501 222.216 1.00 0.00 C +ATOM 40 CA ALA A 40 232.969 266.435 225.771 1.00 0.00 C +ATOM 41 CA SER A 41 234.797 266.391 229.114 1.00 0.00 C +ATOM 42 CA LYS A 42 234.868 263.302 231.342 1.00 0.00 C +ATOM 43 CA GLN A 43 233.134 260.232 232.785 1.00 0.00 C +ATOM 44 CA ALA A 44 229.604 260.744 234.125 1.00 0.00 C +ATOM 45 CA SER A 45 227.502 260.336 237.276 1.00 0.00 C +ATOM 46 CA LYS A 46 228.577 261.093 240.853 1.00 0.00 C +ATOM 47 CA GLN A 47 229.267 258.121 243.134 1.00 0.00 C +ATOM 48 CA ALA A 48 230.571 254.575 242.642 1.00 0.00 C +ATOM 49 CA SER A 49 230.778 250.790 242.263 1.00 0.00 C +ATOM 50 CA LYS A 50 233.070 249.530 239.492 1.00 0.00 C +ATOM 51 CA GLN A 51 232.278 249.211 235.779 1.00 0.00 C +ATOM 52 CA VAL A 52 233.650 246.061 234.132 1.00 0.00 C +TER 53 VAL A 52 +END diff --git a/Viruses/Q19XC2/Q19XC2.dcd b/Viruses/Q19XC2/Q19XC2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..429dae272d891863bab13ab03866497e5257435d --- /dev/null +++ b/Viruses/Q19XC2/Q19XC2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:234995fb4684a38713da6c29ccfcee15c05793ab2b73bb773ed1d68816c52a41 +size 6440276 diff --git a/Viruses/Q19XC2/top.pdb b/Viruses/Q19XC2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..16e4d064ed8f9a94a72aab1c79f29e284e915499 --- /dev/null +++ b/Viruses/Q19XC2/top.pdb @@ -0,0 +1,51 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 218.060 235.042 267.697 1.00 0.00 C +ATOM 2 CA ASN A 2 221.395 235.190 265.861 1.00 0.00 C +ATOM 3 CA ALA A 3 224.024 234.367 263.229 1.00 0.00 C +ATOM 4 CA THR A 4 223.337 234.908 259.520 1.00 0.00 C +ATOM 5 CA ALA A 5 224.536 234.807 255.905 1.00 0.00 C +ATOM 6 CA ASN A 6 226.583 237.714 254.537 1.00 0.00 C +ATOM 7 CA LEU A 7 228.043 237.541 251.022 1.00 0.00 C +ATOM 8 CA ASP A 8 228.890 235.693 247.800 1.00 0.00 C +ATOM 9 CA ARG A 9 232.317 234.683 246.476 1.00 0.00 C +ATOM 10 CA VAL A 10 234.632 237.600 247.281 1.00 0.00 C +ATOM 11 CA ARG A 11 236.461 239.729 244.705 1.00 0.00 C +ATOM 12 CA ALA A 12 238.012 240.700 241.363 1.00 0.00 C +ATOM 13 CA ASP A 13 241.196 241.252 239.346 1.00 0.00 C +ATOM 14 CA GLN A 14 244.589 240.401 237.834 1.00 0.00 C +ATOM 15 CA GLU A 15 247.809 240.927 235.867 1.00 0.00 C +ATOM 16 CA ARG A 16 251.334 240.741 234.435 1.00 0.00 C +ATOM 17 CA ARG A 17 255.133 240.456 234.343 1.00 0.00 C +ATOM 18 CA ARG A 18 257.017 239.248 237.427 1.00 0.00 C +ATOM 19 CA SER A 19 257.421 236.612 240.147 1.00 0.00 C +ATOM 20 CA GLY A 20 259.731 235.515 242.972 1.00 0.00 C +ATOM 21 CA ALA A 21 262.646 237.038 244.895 1.00 0.00 C +ATOM 22 CA ALA A 22 261.766 239.046 248.011 1.00 0.00 C +ATOM 23 CA THR A 23 257.983 239.500 248.061 1.00 0.00 C +ATOM 24 CA LYS A 24 254.238 240.196 248.142 1.00 0.00 C +ATOM 25 CA VAL A 25 250.868 241.458 246.890 1.00 0.00 C +ATOM 26 CA GLN A 26 249.166 242.483 243.639 1.00 0.00 C +ATOM 27 CA GLY A 27 251.354 243.950 240.887 1.00 0.00 C +ATOM 28 CA ALA A 28 253.464 245.549 238.147 1.00 0.00 C +ATOM 29 CA LYS A 29 254.407 248.954 239.573 1.00 0.00 C +ATOM 30 CA LEU A 30 254.019 252.552 240.762 1.00 0.00 C +ATOM 31 CA LYS A 31 255.318 255.985 241.784 1.00 0.00 C +ATOM 32 CA ALA A 32 256.724 259.146 243.381 1.00 0.00 C +ATOM 33 CA LYS A 33 257.889 260.669 246.673 1.00 0.00 C +ATOM 34 CA HIS A 34 261.356 260.216 248.186 1.00 0.00 C +ATOM 35 CA ASN A 35 263.797 262.975 247.214 1.00 0.00 C +ATOM 36 CA ARG A 36 263.951 266.677 248.102 1.00 0.00 C +ATOM 37 CA SER A 37 263.843 270.364 249.056 1.00 0.00 C +ATOM 38 CA VAL A 38 260.747 271.569 250.922 1.00 0.00 C +ATOM 39 CA ALA A 39 258.656 273.857 253.137 1.00 0.00 C +ATOM 40 CA LYS A 40 259.396 273.360 256.841 1.00 0.00 C +ATOM 41 CA ARG A 41 262.753 272.940 258.593 1.00 0.00 C +ATOM 42 CA GLN A 42 262.535 272.262 262.335 1.00 0.00 C +ATOM 43 CA TRP A 43 265.448 272.903 264.706 1.00 0.00 C +ATOM 44 CA LYS A 44 264.591 272.211 268.353 1.00 0.00 C +ATOM 45 CA LYS A 45 263.748 274.165 271.514 1.00 0.00 C +ATOM 46 CA GLU A 46 263.169 274.516 275.263 1.00 0.00 C +ATOM 47 CA PHE A 47 265.646 272.335 277.166 1.00 0.00 C +TER 48 PHE A 47 +END diff --git a/Viruses/Q19XF8/Q19XF8.dcd b/Viruses/Q19XF8/Q19XF8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..cc2761f4fdc7fe0c4f574f49de5fae5c9b343f9d --- /dev/null +++ b/Viruses/Q19XF8/Q19XF8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:60fe44370e443b5e28ae5f6f3cffe8c09be791203a8a8f8d631a37cc2afe899d +size 5480276 diff --git a/Viruses/Q19XF8/top.pdb b/Viruses/Q19XF8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a5050790b7f8af82f7ad91fd0752a16c95bf12bf --- /dev/null +++ b/Viruses/Q19XF8/top.pdb @@ -0,0 +1,43 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 267.398 262.286 245.139 1.00 0.00 C +ATOM 2 CA ASN A 2 268.752 263.994 242.014 1.00 0.00 C +ATOM 3 CA PRO A 3 267.195 265.537 238.898 1.00 0.00 C +ATOM 4 CA LYS A 4 263.742 267.048 238.343 1.00 0.00 C +ATOM 5 CA ALA A 5 261.567 269.647 240.083 1.00 0.00 C +ATOM 6 CA GLN A 6 259.835 272.519 241.891 1.00 0.00 C +ATOM 7 CA MET A 7 258.874 275.621 243.884 1.00 0.00 C +ATOM 8 CA MET A 8 256.633 275.437 246.959 1.00 0.00 C +ATOM 9 CA SER A 9 257.040 272.153 248.849 1.00 0.00 C +ATOM 10 CA ALA A 10 255.526 268.817 249.893 1.00 0.00 C +ATOM 11 CA THR A 11 251.860 268.014 250.550 1.00 0.00 C +ATOM 12 CA GLY A 12 249.206 270.305 249.059 1.00 0.00 C +ATOM 13 CA TYR A 13 247.471 268.382 246.265 1.00 0.00 C +ATOM 14 CA VAL A 14 247.743 264.914 244.711 1.00 0.00 C +ATOM 15 CA LYS A 15 247.099 261.373 243.462 1.00 0.00 C +ATOM 16 CA ARG A 16 249.131 258.403 242.209 1.00 0.00 C +ATOM 17 CA PRO A 17 248.635 255.807 239.464 1.00 0.00 C +ATOM 18 CA ASN A 18 248.916 252.453 241.249 1.00 0.00 C +ATOM 19 CA LYS A 19 248.845 248.679 241.767 1.00 0.00 C +ATOM 20 CA ALA A 20 249.383 246.693 244.974 1.00 0.00 C +ATOM 21 CA THR A 21 248.219 243.127 244.307 1.00 0.00 C +ATOM 22 CA ARG A 22 244.700 242.613 245.675 1.00 0.00 C +ATOM 23 CA ALA A 23 241.626 242.622 247.926 1.00 0.00 C +ATOM 24 CA LYS A 24 239.846 243.589 251.153 1.00 0.00 C +ATOM 25 CA GLU A 25 239.868 240.424 253.273 1.00 0.00 C +ATOM 26 CA ALA A 26 242.280 237.942 254.867 1.00 0.00 C +ATOM 27 CA ARG A 27 242.097 238.256 258.660 1.00 0.00 C +ATOM 28 CA ALA A 28 241.356 237.979 262.387 1.00 0.00 C +ATOM 29 CA TRP A 29 242.038 237.591 266.115 1.00 0.00 C +ATOM 30 CA LYS A 30 244.386 235.944 268.624 1.00 0.00 C +ATOM 31 CA ARG A 31 246.111 232.823 267.282 1.00 0.00 C +ATOM 32 CA ASP A 32 247.779 229.496 266.464 1.00 0.00 C +ATOM 33 CA GLN A 33 245.959 228.222 263.369 1.00 0.00 C +ATOM 34 CA GLU A 34 245.231 230.989 260.853 1.00 0.00 C +ATOM 35 CA ILE A 35 245.838 231.145 257.095 1.00 0.00 C +ATOM 36 CA SER A 36 244.528 230.548 253.568 1.00 0.00 C +ATOM 37 CA ARG A 37 245.916 228.836 250.460 1.00 0.00 C +ATOM 38 CA TYR A 38 248.219 226.591 248.418 1.00 0.00 C +ATOM 39 CA ARG A 39 249.153 223.182 249.841 1.00 0.00 C +TER 40 ARG A 39 +END diff --git a/Viruses/Q19XJ8/Q19XJ8.dcd b/Viruses/Q19XJ8/Q19XJ8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a8110e69c3e63adab5138f52876f4c41e5c1933f --- /dev/null +++ b/Viruses/Q19XJ8/Q19XJ8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a919268c6cd0b8bb8279796db8204366037c867d1c40196f12795a0de7f3069b +size 4400276 diff --git a/Viruses/Q19XJ8/top.pdb b/Viruses/Q19XJ8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..72645c0a813a9d57a6680a9557ea614774faa250 --- /dev/null +++ b/Viruses/Q19XJ8/top.pdb @@ -0,0 +1,34 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 247.221 236.947 264.311 1.00 0.00 C +ATOM 2 CA GLY A 2 245.774 233.735 262.858 1.00 0.00 C +ATOM 3 CA THR A 3 246.762 231.183 260.208 1.00 0.00 C +ATOM 4 CA SER A 4 245.706 231.691 256.583 1.00 0.00 C +ATOM 5 CA PRO A 5 245.017 233.244 253.173 1.00 0.00 C +ATOM 6 CA ARG A 6 247.851 235.680 252.431 1.00 0.00 C +ATOM 7 CA GLU A 7 247.525 237.513 249.107 1.00 0.00 C +ATOM 8 CA ALA A 8 249.020 235.748 246.079 1.00 0.00 C +ATOM 9 CA GLY A 9 252.144 235.432 243.922 1.00 0.00 C +ATOM 10 CA ASP A 10 253.656 234.762 240.490 1.00 0.00 C +ATOM 11 CA GLY A 11 255.994 236.764 238.244 1.00 0.00 C +ATOM 12 CA CYS A 12 256.039 240.401 239.376 1.00 0.00 C +ATOM 13 CA GLU A 13 253.064 240.969 241.687 1.00 0.00 C +ATOM 14 CA ALA A 14 253.527 241.450 245.439 1.00 0.00 C +ATOM 15 CA THR A 15 251.385 244.398 246.548 1.00 0.00 C +ATOM 16 CA PRO A 16 249.876 247.583 245.100 1.00 0.00 C +ATOM 17 CA GLU A 17 246.760 249.620 245.910 1.00 0.00 C +ATOM 18 CA ARG A 18 244.288 252.396 246.746 1.00 0.00 C +ATOM 19 CA ARG A 19 242.654 255.130 248.836 1.00 0.00 C +ATOM 20 CA ASP A 20 241.034 257.958 250.812 1.00 0.00 C +ATOM 21 CA VAL A 21 239.972 261.510 251.688 1.00 0.00 C +ATOM 22 CA GLU A 22 242.681 264.163 251.315 1.00 0.00 C +ATOM 23 CA GLY A 23 246.217 264.838 250.067 1.00 0.00 C +ATOM 24 CA GLU A 24 249.143 267.277 250.132 1.00 0.00 C +ATOM 25 CA ILE A 25 250.393 270.811 250.814 1.00 0.00 C +ATOM 26 CA ARG A 26 253.499 271.843 252.766 1.00 0.00 C +ATOM 27 CA ARG A 27 256.592 269.694 253.341 1.00 0.00 C +ATOM 28 CA GLU A 28 260.159 270.051 254.631 1.00 0.00 C +ATOM 29 CA ARG A 29 263.313 272.169 254.912 1.00 0.00 C +ATOM 30 CA ARG A 30 262.735 275.040 252.475 1.00 0.00 C +TER 31 ARG A 30 +END diff --git a/Viruses/Q19XN7/Q19XN7.dcd b/Viruses/Q19XN7/Q19XN7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..1ef89aa4b0cf9dc1c903d7691b382745b0564646 --- /dev/null +++ b/Viruses/Q19XN7/Q19XN7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:843c05083505f115a1a4e3a20affde838a74144d4a6db193f0810847ebfe812e +size 5000276 diff --git a/Viruses/Q19XN7/top.pdb b/Viruses/Q19XN7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..14bdf5037811a34d3dd29dd34141ac6378d937e2 --- /dev/null +++ b/Viruses/Q19XN7/top.pdb @@ -0,0 +1,39 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 260.436 269.760 255.550 1.00 0.00 C +ATOM 2 CA ASN A 2 262.116 270.773 258.816 1.00 0.00 C +ATOM 3 CA ARG A 3 260.615 271.262 262.283 1.00 0.00 C +ATOM 4 CA HIS A 4 259.179 273.010 265.349 1.00 0.00 C +ATOM 5 CA ASP A 5 255.424 272.663 265.894 1.00 0.00 C +ATOM 6 CA PRO A 6 254.247 269.324 267.301 1.00 0.00 C +ATOM 7 CA GLU A 7 252.089 267.561 269.900 1.00 0.00 C +ATOM 8 CA GLN A 8 249.827 264.501 269.724 1.00 0.00 C +ATOM 9 CA ASP A 9 250.132 261.948 266.912 1.00 0.00 C +ATOM 10 CA GLU A 10 252.226 263.487 264.125 1.00 0.00 C +ATOM 11 CA GLN A 11 253.727 264.575 260.797 1.00 0.00 C +ATOM 12 CA GLN A 12 251.436 264.984 257.780 1.00 0.00 C +ATOM 13 CA SER A 13 250.806 261.488 256.402 1.00 0.00 C +ATOM 14 CA SER A 14 252.510 261.308 252.999 1.00 0.00 C +ATOM 15 CA ASP A 15 251.484 259.646 249.728 1.00 0.00 C +ATOM 16 CA ALA A 16 249.762 256.833 247.821 1.00 0.00 C +ATOM 17 CA THR A 17 250.560 253.586 249.646 1.00 0.00 C +ATOM 18 CA ALA A 18 248.548 250.351 249.723 1.00 0.00 C +ATOM 19 CA PHE A 19 249.161 247.186 247.694 1.00 0.00 C +ATOM 20 CA THR A 20 246.159 245.246 246.376 1.00 0.00 C +ATOM 21 CA ILE A 21 245.478 243.087 243.311 1.00 0.00 C +ATOM 22 CA PRO A 22 247.216 244.790 240.380 1.00 0.00 C +ATOM 23 CA ARG A 23 247.421 243.461 236.815 1.00 0.00 C +ATOM 24 CA TRP A 24 244.050 241.994 235.815 1.00 0.00 C +ATOM 25 CA GLU A 25 241.533 241.082 238.527 1.00 0.00 C +ATOM 26 CA THR A 26 242.378 237.558 239.703 1.00 0.00 C +ATOM 27 CA PHE A 27 242.349 233.749 239.643 1.00 0.00 C +ATOM 28 CA SER A 28 243.649 232.239 242.891 1.00 0.00 C +ATOM 29 CA VAL A 29 247.204 231.260 243.848 1.00 0.00 C +ATOM 30 CA GLY A 30 249.377 228.992 241.690 1.00 0.00 C +ATOM 31 CA GLU A 31 250.650 225.404 241.815 1.00 0.00 C +ATOM 32 CA GLU A 32 249.389 223.261 238.929 1.00 0.00 C +ATOM 33 CA ASP A 33 248.603 225.444 235.907 1.00 0.00 C +ATOM 34 CA SER A 34 247.003 224.264 232.657 1.00 0.00 C +ATOM 35 CA ASN A 35 243.255 223.923 233.251 1.00 0.00 C +TER 36 ASN A 35 +END diff --git a/Viruses/Q19XV8/Q19XV8.dcd b/Viruses/Q19XV8/Q19XV8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..ed523cab2006496d21d45ac83468ccee305fc868 --- /dev/null +++ b/Viruses/Q19XV8/Q19XV8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:87f2e5d430914082c9a9888d161f06ca97420a8c875f6bdbd36862934ef03445 +size 7640276 diff --git a/Viruses/Q19XV8/top.pdb b/Viruses/Q19XV8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d95050f221e03747922abb7103a652d5d270246b --- /dev/null +++ b/Viruses/Q19XV8/top.pdb @@ -0,0 +1,61 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 247.710 227.781 277.920 1.00 0.00 C +ATOM 2 CA ALA A 2 250.784 225.912 276.665 1.00 0.00 C +ATOM 3 CA ASP A 3 253.193 227.823 274.416 1.00 0.00 C +ATOM 4 CA THR A 4 254.160 226.874 270.855 1.00 0.00 C +ATOM 5 CA ARG A 5 254.953 229.918 268.705 1.00 0.00 C +ATOM 6 CA TYR A 6 255.308 233.257 270.505 1.00 0.00 C +ATOM 7 CA TYR A 7 256.672 236.002 268.243 1.00 0.00 C +ATOM 8 CA GLY A 8 259.454 237.819 266.378 1.00 0.00 C +ATOM 9 CA THR A 9 259.185 240.834 264.064 1.00 0.00 C +ATOM 10 CA ALA A 10 258.201 244.512 263.909 1.00 0.00 C +ATOM 11 CA GLU A 11 257.115 247.909 262.569 1.00 0.00 C +ATOM 12 CA LEU A 12 255.168 249.727 265.293 1.00 0.00 C +ATOM 13 CA SER A 13 251.766 251.023 266.415 1.00 0.00 C +ATOM 14 CA LYS A 14 249.075 249.663 264.086 1.00 0.00 C +ATOM 15 CA ALA A 15 249.530 248.686 260.432 1.00 0.00 C +ATOM 16 CA ALA A 16 248.045 247.430 257.156 1.00 0.00 C +ATOM 17 CA GLN A 17 248.600 247.061 253.405 1.00 0.00 C +ATOM 18 CA GLU A 18 249.834 246.918 249.803 1.00 0.00 C +ATOM 19 CA LYS A 19 248.566 244.169 247.489 1.00 0.00 C +ATOM 20 CA LEU A 20 245.831 241.843 246.216 1.00 0.00 C +ATOM 21 CA GLU A 21 244.474 240.543 242.901 1.00 0.00 C +ATOM 22 CA ALA A 22 243.691 241.049 239.207 1.00 0.00 C +ATOM 23 CA LYS A 23 240.246 242.144 238.004 1.00 0.00 C +ATOM 24 CA LYS A 24 237.871 241.317 235.142 1.00 0.00 C +ATOM 25 CA ASN A 25 236.248 242.591 231.939 1.00 0.00 C +ATOM 26 CA PRO A 26 236.130 245.828 229.933 1.00 0.00 C +ATOM 27 CA LYS A 27 236.138 245.182 226.178 1.00 0.00 C +ATOM 28 CA PRO A 28 238.664 247.260 224.225 1.00 0.00 C +ATOM 29 CA LYS A 29 241.261 249.084 226.334 1.00 0.00 C +ATOM 30 CA VAL A 30 241.778 249.291 230.103 1.00 0.00 C +ATOM 31 CA ALA A 31 244.163 248.107 232.828 1.00 0.00 C +ATOM 32 CA PRO A 32 247.373 250.158 232.911 1.00 0.00 C +ATOM 33 CA ARG A 33 248.803 252.740 230.502 1.00 0.00 C +ATOM 34 CA PRO A 34 252.170 254.198 231.530 1.00 0.00 C +ATOM 35 CA GLU A 35 255.086 254.524 233.961 1.00 0.00 C +ATOM 36 CA PRO A 36 253.621 255.719 237.269 1.00 0.00 C +ATOM 37 CA LYS A 37 254.154 255.265 241.014 1.00 0.00 C +ATOM 38 CA PRO A 38 252.601 255.594 244.477 1.00 0.00 C +ATOM 39 CA VAL A 39 249.855 254.283 246.770 1.00 0.00 C +ATOM 40 CA ALA A 40 246.678 255.433 248.531 1.00 0.00 C +ATOM 41 CA PRO A 41 244.002 255.656 245.827 1.00 0.00 C +ATOM 42 CA LYS A 42 242.952 258.513 243.537 1.00 0.00 C +ATOM 43 CA VAL A 43 241.678 262.100 243.702 1.00 0.00 C +ATOM 44 CA GLU A 44 244.091 265.046 243.828 1.00 0.00 C +ATOM 45 CA ALA A 45 247.780 265.931 244.182 1.00 0.00 C +ATOM 46 CA ALA A 46 250.069 266.408 247.189 1.00 0.00 C +ATOM 47 CA LYS A 47 253.611 267.667 247.810 1.00 0.00 C +ATOM 48 CA LEU A 48 255.867 265.589 250.071 1.00 0.00 C +ATOM 49 CA PRO A 49 254.344 264.414 253.359 1.00 0.00 C +ATOM 50 CA GLU A 50 250.686 263.403 253.698 1.00 0.00 C +ATOM 51 CA LYS A 51 250.016 260.154 255.571 1.00 0.00 C +ATOM 52 CA ARG A 52 253.071 258.178 256.700 1.00 0.00 C +ATOM 53 CA ASP A 53 256.563 259.689 256.908 1.00 0.00 C +ATOM 54 CA GLU A 54 259.194 261.810 258.665 1.00 0.00 C +ATOM 55 CA LYS A 55 261.123 264.813 257.331 1.00 0.00 C +ATOM 56 CA LYS A 56 264.896 264.382 257.022 1.00 0.00 C +ATOM 57 CA ASP A 57 265.902 260.776 256.314 1.00 0.00 C +TER 58 ASP A 57 +END diff --git a/Viruses/Q19XW1/Q19XW1.dcd b/Viruses/Q19XW1/Q19XW1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d5c11c9a8690bcb8b67f018a188b8d052cbc706f --- /dev/null +++ b/Viruses/Q19XW1/Q19XW1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a0d995c104d1b24caf0e98fb9028b907b32c97a23391c5c93b31fd436ed57091 +size 7280276 diff --git a/Viruses/Q19XW1/top.pdb b/Viruses/Q19XW1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ec65011aa01009b5536463d9345459430e5ef813 --- /dev/null +++ b/Viruses/Q19XW1/top.pdb @@ -0,0 +1,58 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 248.398 252.792 252.186 1.00 0.00 C +ATOM 2 CA ALA A 2 251.842 254.401 251.937 1.00 0.00 C +ATOM 3 CA ARG A 3 255.592 254.643 252.570 1.00 0.00 C +ATOM 4 CA ARG A 4 257.247 254.202 249.167 1.00 0.00 C +ATOM 5 CA GLY A 5 257.932 251.186 246.942 1.00 0.00 C +ATOM 6 CA LYS A 6 261.073 249.150 247.650 1.00 0.00 C +ATOM 7 CA LYS A 7 264.048 250.702 245.847 1.00 0.00 C +ATOM 8 CA ARG A 8 267.456 251.714 247.218 1.00 0.00 C +ATOM 9 CA LYS A 9 268.779 255.264 247.619 1.00 0.00 C +ATOM 10 CA GLY A 10 270.339 257.679 250.119 1.00 0.00 C +ATOM 11 CA THR A 11 273.118 260.023 248.978 1.00 0.00 C +ATOM 12 CA ARG A 12 275.649 259.048 246.303 1.00 0.00 C +ATOM 13 CA LYS A 13 278.019 256.602 248.011 1.00 0.00 C +ATOM 14 CA SER A 14 276.435 253.138 247.894 1.00 0.00 C +ATOM 15 CA LEU A 15 277.794 249.616 247.384 1.00 0.00 C +ATOM 16 CA LYS A 16 276.511 246.037 247.141 1.00 0.00 C +ATOM 17 CA LYS A 17 277.506 242.530 248.249 1.00 0.00 C +ATOM 18 CA PRO A 18 274.356 240.397 248.449 1.00 0.00 C +ATOM 19 CA ARG A 19 271.518 241.844 250.538 1.00 0.00 C +ATOM 20 CA LEU A 20 268.884 243.221 248.155 1.00 0.00 C +ATOM 21 CA TYR A 21 265.182 242.351 248.393 1.00 0.00 C +ATOM 22 CA ASP A 22 264.180 240.310 251.449 1.00 0.00 C +ATOM 23 CA LYS A 23 263.835 238.739 254.903 1.00 0.00 C +ATOM 24 CA LEU A 24 266.024 239.039 258.007 1.00 0.00 C +ATOM 25 CA ARG A 25 264.562 239.537 261.490 1.00 0.00 C +ATOM 26 CA ARG A 26 260.927 238.403 261.610 1.00 0.00 C +ATOM 27 CA LYS A 27 258.860 239.739 258.702 1.00 0.00 C +ATOM 28 CA GLY A 28 256.352 239.064 255.914 1.00 0.00 C +ATOM 29 CA TYR A 29 254.220 242.033 254.839 1.00 0.00 C +ATOM 30 CA SER A 30 252.315 243.179 251.744 1.00 0.00 C +ATOM 31 CA LYS A 31 253.454 246.707 250.869 1.00 0.00 C +ATOM 32 CA GLU A 32 250.862 248.232 248.530 1.00 0.00 C +ATOM 33 CA LYS A 33 248.124 249.631 246.279 1.00 0.00 C +ATOM 34 CA ALA A 34 246.030 250.971 243.392 1.00 0.00 C +ATOM 35 CA ALA A 35 243.308 253.633 243.520 1.00 0.00 C +ATOM 36 CA ARG A 36 239.941 253.962 241.766 1.00 0.00 C +ATOM 37 CA ILE A 37 236.577 255.172 243.082 1.00 0.00 C +ATOM 38 CA SER A 38 234.520 256.217 240.050 1.00 0.00 C +ATOM 39 CA ASN A 39 231.842 256.904 237.429 1.00 0.00 C +ATOM 40 CA ALA A 40 229.585 259.831 238.354 1.00 0.00 C +ATOM 41 CA VAL A 41 226.458 258.980 240.356 1.00 0.00 C +ATOM 42 CA ALA A 42 226.961 258.556 244.109 1.00 0.00 C +ATOM 43 CA ASN A 43 223.659 258.558 246.012 1.00 0.00 C +ATOM 44 CA GLY A 44 220.771 256.668 244.399 1.00 0.00 C +ATOM 45 CA THR A 45 221.062 252.957 245.213 1.00 0.00 C +ATOM 46 CA ILE A 46 220.630 252.041 248.885 1.00 0.00 C +ATOM 47 CA ASP A 47 221.890 253.664 252.094 1.00 0.00 C +ATOM 48 CA ARG A 48 219.796 255.301 254.825 1.00 0.00 C +ATOM 49 CA ARG A 49 222.029 255.283 257.912 1.00 0.00 C +ATOM 50 CA ARG A 50 221.842 251.888 259.632 1.00 0.00 C +ATOM 51 CA ARG A 51 221.727 248.107 260.089 1.00 0.00 C +ATOM 52 CA LYS A 52 223.651 245.206 261.638 1.00 0.00 C +ATOM 53 CA ARG A 53 227.393 245.735 261.157 1.00 0.00 C +ATOM 54 CA ARG A 54 228.937 249.215 261.003 1.00 0.00 C +TER 55 ARG A 54 +END diff --git a/Viruses/Q19YI2/Q19YI2.dcd b/Viruses/Q19YI2/Q19YI2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e21eaa3a0e4a24ae157281c04658a5ec7dfbf22c --- /dev/null +++ b/Viruses/Q19YI2/Q19YI2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2edba63f52089dd16333baac44bf2c82cf937d922d4b721ac2652f5c81fd28d7 +size 4400276 diff --git a/Viruses/Q19YI2/top.pdb b/Viruses/Q19YI2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f5f04ccc93860777d40bd3f7195dd295d3afd32f --- /dev/null +++ b/Viruses/Q19YI2/top.pdb @@ -0,0 +1,34 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 226.842 252.671 240.938 1.00 0.00 C +ATOM 2 CA SER A 2 225.386 256.189 240.815 1.00 0.00 C +ATOM 3 CA ALA A 3 227.055 259.534 241.551 1.00 0.00 C +ATOM 4 CA ASP A 4 224.957 261.855 243.724 1.00 0.00 C +ATOM 5 CA ASP A 5 226.391 261.988 247.252 1.00 0.00 C +ATOM 6 CA THR A 6 229.532 262.094 249.406 1.00 0.00 C +ATOM 7 CA ARG A 7 230.904 259.903 252.205 1.00 0.00 C +ATOM 8 CA ASP A 8 232.664 256.610 252.963 1.00 0.00 C +ATOM 9 CA ALA A 9 232.441 252.906 252.101 1.00 0.00 C +ATOM 10 CA LEU A 10 233.821 249.418 251.432 1.00 0.00 C +ATOM 11 CA LYS A 11 237.603 249.858 251.576 1.00 0.00 C +ATOM 12 CA VAL A 12 241.266 250.099 252.597 1.00 0.00 C +ATOM 13 CA ALA A 13 244.995 250.629 252.025 1.00 0.00 C +ATOM 14 CA PRO A 14 247.848 248.151 251.535 1.00 0.00 C +ATOM 15 CA ARG A 15 251.657 248.146 251.611 1.00 0.00 C +ATOM 16 CA GLY A 16 254.776 245.969 251.387 1.00 0.00 C +ATOM 17 CA ALA A 17 258.415 244.875 251.120 1.00 0.00 C +ATOM 18 CA GLN A 18 261.924 244.507 249.682 1.00 0.00 C +ATOM 19 CA PRO A 19 262.841 240.955 248.651 1.00 0.00 C +ATOM 20 CA PRO A 20 266.039 240.909 246.582 1.00 0.00 C +ATOM 21 CA GLN A 21 269.144 240.176 244.498 1.00 0.00 C +ATOM 22 CA SER A 22 270.866 242.936 242.516 1.00 0.00 C +ATOM 23 CA THR A 23 270.695 246.682 243.192 1.00 0.00 C +ATOM 24 CA PRO A 24 268.222 247.761 245.882 1.00 0.00 C +ATOM 25 CA GLY A 25 267.457 247.266 249.582 1.00 0.00 C +ATOM 26 CA ASP A 26 268.370 244.718 252.264 1.00 0.00 C +ATOM 27 CA GLU A 27 267.986 245.902 255.865 1.00 0.00 C +ATOM 28 CA ARG A 28 267.869 247.552 259.297 1.00 0.00 C +ATOM 29 CA ASN A 29 266.181 248.478 262.585 1.00 0.00 C +ATOM 30 CA GLY A 30 265.853 251.260 265.167 1.00 0.00 C +TER 31 GLY A 30 +END diff --git a/Viruses/Q19YS5/Q19YS5.dcd b/Viruses/Q19YS5/Q19YS5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..02a25949756e8a5de02af715f7338acf6cf52a5e --- /dev/null +++ b/Viruses/Q19YS5/Q19YS5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a1af0bdf554f14b43eebbc857243a0b88cf8cc064885842745108d59659a0788 +size 8240276 diff --git a/Viruses/Q19YS5/top.pdb b/Viruses/Q19YS5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b8253ca39d5402a058b02a3a48519c29d2996d56 --- /dev/null +++ b/Viruses/Q19YS5/top.pdb @@ -0,0 +1,66 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 257.327 252.370 258.920 1.00 0.00 C +ATOM 2 CA ALA A 2 254.856 252.534 261.816 1.00 0.00 C +ATOM 3 CA ARG A 3 251.295 253.259 262.960 1.00 0.00 C +ATOM 4 CA GLN A 4 248.541 251.826 260.752 1.00 0.00 C +ATOM 5 CA PRO A 5 244.737 251.958 260.913 1.00 0.00 C +ATOM 6 CA GLY A 6 242.648 249.453 258.943 1.00 0.00 C +ATOM 7 CA ARG A 7 244.198 248.128 255.725 1.00 0.00 C +ATOM 8 CA SER A 8 242.565 248.004 252.285 1.00 0.00 C +ATOM 9 CA LYS A 9 244.261 246.756 249.110 1.00 0.00 C +ATOM 10 CA SER A 10 246.259 244.812 246.513 1.00 0.00 C +ATOM 11 CA LEU A 11 246.833 242.838 243.305 1.00 0.00 C +ATOM 12 CA LYS A 12 245.317 239.452 242.436 1.00 0.00 C +ATOM 13 CA ARG A 13 245.675 235.752 241.602 1.00 0.00 C +ATOM 14 CA PRO A 14 247.773 234.287 238.779 1.00 0.00 C +ATOM 15 CA ASP A 15 248.625 230.597 238.367 1.00 0.00 C +ATOM 16 CA ILE A 16 247.347 227.306 236.933 1.00 0.00 C +ATOM 17 CA TYR A 17 248.846 224.287 235.159 1.00 0.00 C +ATOM 18 CA ASP A 18 252.169 222.882 233.933 1.00 0.00 C +ATOM 19 CA ALA A 19 255.670 221.498 234.520 1.00 0.00 C +ATOM 20 CA LEU A 20 258.738 223.598 235.351 1.00 0.00 C +ATOM 21 CA ARG A 21 259.095 226.849 237.305 1.00 0.00 C +ATOM 22 CA ARG A 22 257.095 230.034 236.696 1.00 0.00 C +ATOM 23 CA LYS A 23 254.607 230.155 239.580 1.00 0.00 C +ATOM 24 CA GLY A 24 254.370 233.324 241.682 1.00 0.00 C +ATOM 25 CA MET A 25 255.738 236.289 243.644 1.00 0.00 C +ATOM 26 CA SER A 26 258.054 238.082 241.207 1.00 0.00 C +ATOM 27 CA LYS A 27 261.565 238.350 239.753 1.00 0.00 C +ATOM 28 CA ARG A 28 262.637 241.055 237.293 1.00 0.00 C +ATOM 29 CA LYS A 29 261.443 244.378 238.724 1.00 0.00 C +ATOM 30 CA ALA A 30 258.010 244.980 237.185 1.00 0.00 C +ATOM 31 CA ALA A 31 255.418 243.631 239.629 1.00 0.00 C +ATOM 32 CA ARG A 32 253.595 242.186 242.647 1.00 0.00 C +ATOM 33 CA ILE A 33 253.106 245.111 245.039 1.00 0.00 C +ATOM 34 CA SER A 34 255.674 247.902 245.404 1.00 0.00 C +ATOM 35 CA ASN A 35 257.574 251.146 246.020 1.00 0.00 C +ATOM 36 CA ALA A 36 254.946 253.904 245.974 1.00 0.00 C +ATOM 37 CA VAL A 37 253.623 254.808 242.518 1.00 0.00 C +ATOM 38 CA ALA A 38 251.767 257.378 240.404 1.00 0.00 C +ATOM 39 CA ASN A 39 248.348 258.290 241.816 1.00 0.00 C +ATOM 40 CA LYS A 40 247.702 258.532 245.563 1.00 0.00 C +ATOM 41 CA THR A 41 250.189 260.341 247.813 1.00 0.00 C +ATOM 42 CA VAL A 42 252.495 263.316 248.401 1.00 0.00 C +ATOM 43 CA ARG A 43 254.017 264.810 251.558 1.00 0.00 C +ATOM 44 CA HIS A 44 252.827 267.919 253.411 1.00 0.00 C +ATOM 45 CA ARG A 45 249.324 268.733 254.669 1.00 0.00 C +ATOM 46 CA GLY A 46 247.703 271.397 256.858 1.00 0.00 C +ATOM 47 CA GLY A 47 245.244 270.747 259.695 1.00 0.00 C +ATOM 48 CA ASN A 48 246.050 267.194 260.809 1.00 0.00 C +ATOM 49 CA LYS A 49 248.403 264.268 260.160 1.00 0.00 C +ATOM 50 CA GLY A 50 251.240 261.926 259.170 1.00 0.00 C +ATOM 51 CA ARG A 51 250.151 259.582 256.372 1.00 0.00 C +ATOM 52 CA LYS A 52 246.360 259.437 256.022 1.00 0.00 C +ATOM 53 CA HIS A 53 243.377 261.806 255.924 1.00 0.00 C +ATOM 54 CA LYS A 54 240.173 263.727 256.671 1.00 0.00 C +ATOM 55 CA ARG A 55 239.126 266.979 258.359 1.00 0.00 C +ATOM 56 CA GLY A 56 239.665 268.382 261.859 1.00 0.00 C +ATOM 57 CA ARG A 57 241.474 269.736 264.927 1.00 0.00 C +ATOM 58 CA GLY A 58 243.444 268.213 267.810 1.00 0.00 C +ATOM 59 CA LYS A 59 243.367 265.055 269.941 1.00 0.00 C +ATOM 60 CA ARG A 60 242.038 261.796 271.400 1.00 0.00 C +ATOM 61 CA ARG A 61 242.370 259.608 274.501 1.00 0.00 C +ATOM 62 CA ALA A 62 242.916 257.045 277.266 1.00 0.00 C +TER 63 ALA A 62 +END diff --git a/Viruses/Q19YU1/Q19YU1.dcd b/Viruses/Q19YU1/Q19YU1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..064a5a527908a5bb2520954f947f28a1e313d5e5 --- /dev/null +++ b/Viruses/Q19YU1/Q19YU1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:86ac0244698926c7f0242e024c30971c25188631db4caeb750838f3f1928c668 +size 6800276 diff --git a/Viruses/Q19YU1/top.pdb b/Viruses/Q19YU1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..652bb7f0a895afa3dfc869a6d2442877fcb98e5b --- /dev/null +++ b/Viruses/Q19YU1/top.pdb @@ -0,0 +1,54 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 251.845 239.721 221.804 1.00 0.00 C +ATOM 2 CA GLY A 2 253.436 239.777 225.266 1.00 0.00 C +ATOM 3 CA ILE A 3 256.498 237.509 225.256 1.00 0.00 C +ATOM 4 CA ALA A 4 258.224 234.133 225.629 1.00 0.00 C +ATOM 5 CA GLN A 5 258.483 231.032 227.828 1.00 0.00 C +ATOM 6 CA GLY A 6 259.688 230.326 231.373 1.00 0.00 C +ATOM 7 CA ALA A 7 257.144 231.685 233.863 1.00 0.00 C +ATOM 8 CA VAL A 8 253.992 231.118 235.927 1.00 0.00 C +ATOM 9 CA VAL A 9 254.054 231.009 239.735 1.00 0.00 C +ATOM 10 CA ASP A 10 252.882 229.906 243.188 1.00 0.00 C +ATOM 11 CA PRO A 11 255.649 229.450 245.767 1.00 0.00 C +ATOM 12 CA PRO A 12 257.515 232.674 246.567 1.00 0.00 C +ATOM 13 CA VAL A 13 257.815 235.920 244.594 1.00 0.00 C +ATOM 14 CA PRO A 14 260.010 238.751 245.892 1.00 0.00 C +ATOM 15 CA SER A 15 259.645 241.413 248.593 1.00 0.00 C +ATOM 16 CA SER A 16 260.860 243.964 251.150 1.00 0.00 C +ATOM 17 CA GLY A 17 261.261 246.250 254.171 1.00 0.00 C +ATOM 18 CA VAL A 18 257.972 247.281 255.795 1.00 0.00 C +ATOM 19 CA SER A 19 254.262 247.511 256.631 1.00 0.00 C +ATOM 20 CA ASP A 20 251.077 245.428 256.800 1.00 0.00 C +ATOM 21 CA MET A 21 249.261 242.080 256.916 1.00 0.00 C +ATOM 22 CA PRO A 22 247.052 239.006 257.349 1.00 0.00 C +ATOM 23 CA PRO A 23 248.918 235.695 257.617 1.00 0.00 C +ATOM 24 CA ILE A 24 251.564 235.650 254.876 1.00 0.00 C +ATOM 25 CA ASP A 25 251.976 237.229 251.433 1.00 0.00 C +ATOM 26 CA LEU A 26 252.051 241.028 251.703 1.00 0.00 C +ATOM 27 CA ASP A 27 253.793 244.290 250.786 1.00 0.00 C +ATOM 28 CA GLY A 28 255.521 247.148 248.951 1.00 0.00 C +ATOM 29 CA GLY A 29 253.656 250.470 249.005 1.00 0.00 C +ATOM 30 CA ALA A 30 252.902 254.187 249.361 1.00 0.00 C +ATOM 31 CA ILE A 31 249.916 256.369 250.278 1.00 0.00 C +ATOM 32 CA ARG A 32 247.568 258.108 252.724 1.00 0.00 C +ATOM 33 CA VAL A 33 248.900 259.577 255.977 1.00 0.00 C +ATOM 34 CA GLY A 34 249.685 263.226 256.739 1.00 0.00 C +ATOM 35 CA ARG A 35 253.090 264.456 257.928 1.00 0.00 C +ATOM 36 CA SER A 36 252.539 267.991 259.237 1.00 0.00 C +ATOM 37 CA THR A 37 250.070 270.883 259.003 1.00 0.00 C +ATOM 38 CA VAL A 38 249.865 272.290 262.537 1.00 0.00 C +ATOM 39 CA THR A 39 248.585 269.692 265.014 1.00 0.00 C +ATOM 40 CA THR A 40 246.040 268.272 267.467 1.00 0.00 C +ATOM 41 CA THR A 41 242.351 269.128 267.881 1.00 0.00 C +ATOM 42 CA THR A 42 239.819 269.259 265.037 1.00 0.00 C +ATOM 43 CA GLU A 43 241.370 269.090 261.561 1.00 0.00 C +ATOM 44 CA GLU A 44 238.714 268.896 258.836 1.00 0.00 C +ATOM 45 CA ARG A 45 238.272 268.667 255.059 1.00 0.00 C +ATOM 46 CA LYS A 46 236.449 265.371 254.487 1.00 0.00 C +ATOM 47 CA LYS A 47 232.650 265.377 254.779 1.00 0.00 C +ATOM 48 CA GLY A 48 231.290 268.008 252.381 1.00 0.00 C +ATOM 49 CA GLY A 49 227.942 266.618 251.209 1.00 0.00 C +ATOM 50 CA ARG A 50 225.879 267.079 248.039 1.00 0.00 C +TER 51 ARG A 50 +END diff --git a/Viruses/Q19Z22/Q19Z22.dcd b/Viruses/Q19Z22/Q19Z22.dcd new file mode 100644 index 0000000000000000000000000000000000000000..1b6e8568fd4c184bfda0dafc36749669e3b503f3 --- /dev/null +++ b/Viruses/Q19Z22/Q19Z22.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ecbf8a0eda26cbf7b0168f8d8bb112d57ac11ec0a8e3d50f9688ac3a556ebe95 +size 15320276 diff --git a/Viruses/Q19Z22/top.pdb b/Viruses/Q19Z22/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..85661b95ad9fd4b6c495efffc374a69c044123d7 --- /dev/null +++ b/Viruses/Q19Z22/top.pdb @@ -0,0 +1,125 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 318.520 172.352 256.583 1.00 0.00 C +ATOM 2 CA ALA A 2 318.089 175.833 255.096 1.00 0.00 C +ATOM 3 CA THR A 3 319.959 176.313 251.811 1.00 0.00 C +ATOM 4 CA MET A 4 320.979 179.487 249.968 1.00 0.00 C +ATOM 5 CA SER A 5 318.915 181.951 247.922 1.00 0.00 C +ATOM 6 CA LYS A 6 317.779 183.724 244.747 1.00 0.00 C +ATOM 7 CA PRO A 7 314.760 185.836 245.717 1.00 0.00 C +ATOM 8 CA ARG A 8 312.925 189.106 245.040 1.00 0.00 C +ATOM 9 CA ILE A 9 312.060 191.455 247.913 1.00 0.00 C +ATOM 10 CA GLU A 10 308.370 192.296 248.354 1.00 0.00 C +ATOM 11 CA ALA A 11 307.863 194.617 251.333 1.00 0.00 C +ATOM 12 CA GLN A 12 304.783 194.029 253.497 1.00 0.00 C +ATOM 13 CA ARG A 13 303.381 196.688 255.838 1.00 0.00 C +ATOM 14 CA GLY A 14 299.578 196.785 255.620 1.00 0.00 C +ATOM 15 CA THR A 15 296.032 195.888 254.557 1.00 0.00 C +ATOM 16 CA SER A 16 293.468 193.313 255.704 1.00 0.00 C +ATOM 17 CA ARG A 17 289.968 193.621 254.230 1.00 0.00 C +ATOM 18 CA HIS A 18 286.251 194.131 254.893 1.00 0.00 C +ATOM 19 CA GLY A 19 284.022 197.005 256.027 1.00 0.00 C +ATOM 20 CA PRO A 20 280.437 195.755 255.706 1.00 0.00 C +ATOM 21 CA SER A 21 277.020 195.944 254.032 1.00 0.00 C +ATOM 22 CA ILE A 22 273.477 197.001 254.952 1.00 0.00 C +ATOM 23 CA LYS A 23 271.012 199.893 254.673 1.00 0.00 C +ATOM 24 CA ALA A 24 272.122 203.499 254.141 1.00 0.00 C +ATOM 25 CA PRO A 25 270.004 206.636 253.714 1.00 0.00 C +ATOM 26 CA ARG A 26 268.622 210.176 253.999 1.00 0.00 C +ATOM 27 CA MET A 27 265.239 210.005 252.257 1.00 0.00 C +ATOM 28 CA TYR A 28 263.810 213.086 250.529 1.00 0.00 C +ATOM 29 CA GLU A 29 264.896 216.523 251.763 1.00 0.00 C +ATOM 30 CA ALA A 30 265.036 220.294 252.288 1.00 0.00 C +ATOM 31 CA LEU A 31 265.803 221.501 255.819 1.00 0.00 C +ATOM 32 CA ARG A 32 266.380 224.649 257.886 1.00 0.00 C +ATOM 33 CA ARG A 33 264.573 227.895 258.732 1.00 0.00 C +ATOM 34 CA LYS A 34 265.994 230.697 256.576 1.00 0.00 C +ATOM 35 CA GLY A 35 264.365 234.134 256.343 1.00 0.00 C +ATOM 36 CA TYR A 36 260.680 234.478 255.438 1.00 0.00 C +ATOM 37 CA SER A 37 257.271 232.902 256.078 1.00 0.00 C +ATOM 38 CA LYS A 38 253.524 232.213 256.114 1.00 0.00 C +ATOM 39 CA GLU A 39 249.996 231.594 257.412 1.00 0.00 C +ATOM 40 CA LYS A 40 246.370 230.658 256.708 1.00 0.00 C +ATOM 41 CA ALA A 41 243.287 228.903 255.318 1.00 0.00 C +ATOM 42 CA ALA A 42 240.377 230.183 253.218 1.00 0.00 C +ATOM 43 CA ARG A 43 237.878 232.538 254.870 1.00 0.00 C +ATOM 44 CA ILE A 44 238.072 236.247 254.020 1.00 0.00 C +ATOM 45 CA SER A 45 240.827 238.802 253.385 1.00 0.00 C +ATOM 46 CA ASN A 46 243.718 237.628 255.571 1.00 0.00 C +ATOM 47 CA ALA A 47 247.054 237.163 257.353 1.00 0.00 C +ATOM 48 CA ALA A 48 248.860 240.505 257.645 1.00 0.00 C +ATOM 49 CA ALA A 49 250.060 243.593 255.765 1.00 0.00 C +ATOM 50 CA ASN A 50 250.884 247.196 254.838 1.00 0.00 C +ATOM 51 CA GLY A 51 251.528 249.648 251.995 1.00 0.00 C +ATOM 52 CA THR A 52 250.652 252.426 249.539 1.00 0.00 C +ATOM 53 CA LEU A 53 249.421 255.820 248.321 1.00 0.00 C +ATOM 54 CA ASP A 54 245.893 255.196 247.024 1.00 0.00 C +ATOM 55 CA ARG A 55 243.384 253.491 249.330 1.00 0.00 C +ATOM 56 CA SER A 56 241.996 250.125 250.450 1.00 0.00 C +ATOM 57 CA ARG A 57 241.537 249.906 254.226 1.00 0.00 C +ATOM 58 CA ARG A 58 240.056 252.884 256.084 1.00 0.00 C +ATOM 59 CA GLY A 59 239.480 254.516 259.478 1.00 0.00 C +ATOM 60 CA LYS A 60 237.138 255.312 262.376 1.00 0.00 C +ATOM 61 CA LYS A 61 234.145 257.661 262.564 1.00 0.00 C +ATOM 62 CA GLY A 62 232.615 260.101 265.059 1.00 0.00 C +ATOM 63 CA GLY A 63 230.253 258.855 267.777 1.00 0.00 C +ATOM 64 CA ARG A 64 231.834 259.247 271.221 1.00 0.00 C +ATOM 65 CA GLY A 65 233.418 256.734 273.607 1.00 0.00 C +ATOM 66 CA LYS A 66 236.559 254.603 273.932 1.00 0.00 C +ATOM 67 CA PHE A 67 237.604 253.839 270.348 1.00 0.00 C +ATOM 68 CA ALA A 68 236.464 250.928 268.170 1.00 0.00 C +ATOM 69 CA LEU A 69 233.029 251.312 266.569 1.00 0.00 C +ATOM 70 CA ALA A 70 232.570 250.915 262.807 1.00 0.00 C +ATOM 71 CA SER A 71 232.969 247.196 262.083 1.00 0.00 C +ATOM 72 CA ALA A 72 231.751 246.658 258.514 1.00 0.00 C +ATOM 73 CA GLY A 73 228.321 246.432 256.870 1.00 0.00 C +ATOM 74 CA SER A 74 227.008 248.091 253.702 1.00 0.00 C +ATOM 75 CA ARG A 75 225.217 251.450 253.870 1.00 0.00 C +ATOM 76 CA VAL A 76 226.677 254.409 255.774 1.00 0.00 C +ATOM 77 CA ARG A 77 224.968 257.697 254.886 1.00 0.00 C +ATOM 78 CA HIS A 78 226.831 260.281 252.796 1.00 0.00 C +ATOM 79 CA GLY A 79 228.360 263.766 252.975 1.00 0.00 C +ATOM 80 CA ALA A 80 231.306 266.181 252.913 1.00 0.00 C +ATOM 81 CA GLY A 81 230.499 269.689 251.665 1.00 0.00 C +ATOM 82 CA GLY A 82 232.936 270.288 248.797 1.00 0.00 C +ATOM 83 CA ASN A 83 234.842 271.197 245.626 1.00 0.00 C +ATOM 84 CA ARG A 84 238.218 269.714 244.666 1.00 0.00 C +ATOM 85 CA ARG A 85 239.698 268.525 247.969 1.00 0.00 C +ATOM 86 CA GLY A 86 239.203 271.308 250.524 1.00 0.00 C +ATOM 87 CA SER A 87 236.790 274.119 251.414 1.00 0.00 C +ATOM 88 CA GLY A 88 235.466 276.357 248.629 1.00 0.00 C +ATOM 89 CA GLY A 89 233.065 279.172 247.720 1.00 0.00 C +ATOM 90 CA ARG A 90 230.774 279.647 250.727 1.00 0.00 C +ATOM 91 CA ALA A 91 227.224 280.858 250.062 1.00 0.00 C +ATOM 92 CA LYS A 92 225.781 282.532 246.959 1.00 0.00 C +ATOM 93 CA ALA A 93 226.765 284.710 243.991 1.00 0.00 C +ATOM 94 CA SER A 94 229.445 287.278 244.848 1.00 0.00 C +ATOM 95 CA THR A 95 232.360 289.642 245.507 1.00 0.00 C +ATOM 96 CA ARG A 96 233.333 293.302 245.925 1.00 0.00 C +ATOM 97 CA GLY A 97 234.456 295.150 242.788 1.00 0.00 C +ATOM 98 CA ALA A 98 233.167 295.593 239.230 1.00 0.00 C +ATOM 99 CA VAL A 99 231.993 297.864 236.406 1.00 0.00 C +ATOM 100 CA ARG A 100 232.917 298.566 232.777 1.00 0.00 C +ATOM 101 CA GLY A 101 232.317 301.662 230.639 1.00 0.00 C +ATOM 102 CA GLY A 102 232.835 303.405 227.291 1.00 0.00 C +ATOM 103 CA ASN A 103 229.935 305.129 225.522 1.00 0.00 C +ATOM 104 CA ARG A 104 227.204 306.924 223.563 1.00 0.00 C +ATOM 105 CA ARG A 105 224.403 309.195 224.792 1.00 0.00 C +ATOM 106 CA GLY A 106 222.418 312.246 225.919 1.00 0.00 C +ATOM 107 CA ASN A 107 220.127 311.993 228.952 1.00 0.00 C +ATOM 108 CA ALA A 108 220.674 308.583 230.560 1.00 0.00 C +ATOM 109 CA SER A 109 220.747 304.793 230.172 1.00 0.00 C +ATOM 110 CA ARG A 110 224.071 303.299 229.063 1.00 0.00 C +ATOM 111 CA ALA A 111 225.936 300.111 229.997 1.00 0.00 C +ATOM 112 CA THR A 112 226.021 298.927 233.618 1.00 0.00 C +ATOM 113 CA GLY A 113 225.148 299.225 237.315 1.00 0.00 C +ATOM 114 CA ARG A 114 224.270 302.746 238.475 1.00 0.00 C +ATOM 115 CA ALA A 115 221.792 304.900 236.541 1.00 0.00 C +ATOM 116 CA MET A 116 219.684 307.335 238.576 1.00 0.00 C +ATOM 117 CA THR A 117 217.410 309.602 236.525 1.00 0.00 C +ATOM 118 CA ARG A 118 218.653 313.083 235.603 1.00 0.00 C +ATOM 119 CA ARG A 119 218.485 316.501 237.279 1.00 0.00 C +ATOM 120 CA ARG A 120 219.675 319.684 239.003 1.00 0.00 C +ATOM 121 CA ARG A 121 220.934 322.744 237.115 1.00 0.00 C +TER 122 ARG A 121 +END diff --git a/Viruses/Q19ZG3/Q19ZG3.dcd b/Viruses/Q19ZG3/Q19ZG3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..9ad92068d8f1f1f7b678cafd2ee85df00b7d7be3 --- /dev/null +++ b/Viruses/Q19ZG3/Q19ZG3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a6a3ddf83043d5ea8a533f124290619ab53d9f04886101a1ab2ba489c5efcd4b +size 7280276 diff --git a/Viruses/Q19ZG3/top.pdb b/Viruses/Q19ZG3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..115acebc1d65b01fb6eeb765a57d03a02e7a0977 --- /dev/null +++ b/Viruses/Q19ZG3/top.pdb @@ -0,0 +1,58 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 242.979 225.334 298.342 1.00 0.00 C +ATOM 2 CA ALA A 2 244.612 227.724 295.865 1.00 0.00 C +ATOM 3 CA LYS A 3 243.391 230.805 293.986 1.00 0.00 C +ATOM 4 CA GLY A 4 241.742 232.643 291.084 1.00 0.00 C +ATOM 5 CA VAL A 5 243.899 232.043 288.001 1.00 0.00 C +ATOM 6 CA LYS A 6 242.309 231.588 284.569 1.00 0.00 C +ATOM 7 CA LYS A 7 240.801 234.471 282.586 1.00 0.00 C +ATOM 8 CA LEU A 8 239.678 236.860 279.840 1.00 0.00 C +ATOM 9 CA PRO A 9 237.804 235.611 276.766 1.00 0.00 C +ATOM 10 CA LYS A 10 234.535 237.407 275.993 1.00 0.00 C +ATOM 11 CA ARG A 11 232.539 235.918 273.109 1.00 0.00 C +ATOM 12 CA LYS A 12 229.499 237.151 271.171 1.00 0.00 C +ATOM 13 CA GLY A 13 230.292 238.851 267.855 1.00 0.00 C +ATOM 14 CA THR A 14 233.120 237.306 265.822 1.00 0.00 C +ATOM 15 CA ASN A 15 234.311 239.905 263.304 1.00 0.00 C +ATOM 16 CA PRO A 16 235.432 243.403 262.292 1.00 0.00 C +ATOM 17 CA ILE A 17 238.067 245.605 263.943 1.00 0.00 C +ATOM 18 CA PRO A 18 241.643 244.453 264.572 1.00 0.00 C +ATOM 19 CA ARG A 19 243.966 247.317 263.615 1.00 0.00 C +ATOM 20 CA ASP A 20 243.506 249.425 260.474 1.00 0.00 C +ATOM 21 CA LYS A 21 245.663 252.046 258.745 1.00 0.00 C +ATOM 22 CA TRP A 22 249.021 253.797 258.326 1.00 0.00 C +ATOM 23 CA ASN A 23 251.886 252.228 256.365 1.00 0.00 C +ATOM 24 CA SER A 24 254.006 253.262 253.373 1.00 0.00 C +ATOM 25 CA ASP A 25 256.276 255.607 251.406 1.00 0.00 C +ATOM 26 CA ASP A 26 255.422 258.710 249.367 1.00 0.00 C +ATOM 27 CA ILE A 27 256.970 261.867 247.901 1.00 0.00 C +ATOM 28 CA ALA A 28 260.297 263.694 247.563 1.00 0.00 C +ATOM 29 CA ARG A 29 259.343 267.219 246.477 1.00 0.00 C +ATOM 30 CA ARG A 30 259.166 269.495 243.427 1.00 0.00 C +ATOM 31 CA GLN A 31 257.675 269.517 239.921 1.00 0.00 C +ATOM 32 CA LEU A 32 260.467 268.334 237.616 1.00 0.00 C +ATOM 33 CA GLU A 33 263.818 267.188 239.022 1.00 0.00 C +ATOM 34 CA GLN A 34 265.546 263.794 239.124 1.00 0.00 C +ATOM 35 CA ASP A 35 265.649 260.016 238.640 1.00 0.00 C +ATOM 36 CA GLN A 36 262.570 258.792 236.759 1.00 0.00 C +ATOM 37 CA LYS A 37 260.275 256.042 235.460 1.00 0.00 C +ATOM 38 CA LEU A 38 257.559 256.797 232.898 1.00 0.00 C +ATOM 39 CA HIS A 39 254.490 257.795 230.872 1.00 0.00 C +ATOM 40 CA LEU A 40 254.207 260.988 228.813 1.00 0.00 C +ATOM 41 CA THR A 41 252.143 263.475 226.795 1.00 0.00 C +ATOM 42 CA THR A 42 253.395 264.464 223.335 1.00 0.00 C +ATOM 43 CA LYS A 43 251.504 265.058 220.081 1.00 0.00 C +ATOM 44 CA GLY A 44 251.468 262.629 217.147 1.00 0.00 C +ATOM 45 CA PRO A 45 253.948 259.785 216.619 1.00 0.00 C +ATOM 46 CA HIS A 46 255.861 257.409 218.901 1.00 0.00 C +ATOM 47 CA THR A 47 254.994 256.315 222.446 1.00 0.00 C +ATOM 48 CA GLY A 48 252.867 253.165 222.713 1.00 0.00 C +ATOM 49 CA THR A 49 254.184 249.847 221.380 1.00 0.00 C +ATOM 50 CA ASN A 50 253.537 246.116 221.797 1.00 0.00 C +ATOM 51 CA ASP A 51 255.696 243.275 223.131 1.00 0.00 C +ATOM 52 CA SER A 52 258.927 242.702 225.067 1.00 0.00 C +ATOM 53 CA PHE A 53 262.440 241.637 224.045 1.00 0.00 C +ATOM 54 CA LYS A 54 264.601 243.116 221.279 1.00 0.00 C +TER 55 LYS A 54 +END diff --git a/Viruses/Q1A0D0/Q1A0D0.dcd b/Viruses/Q1A0D0/Q1A0D0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d16336e504396815bd36baa836116716f4a55b15 --- /dev/null +++ b/Viruses/Q1A0D0/Q1A0D0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2410a6129c85be2262716fae55156da99d8bc022d7a181c73f0bfe02723486c2 +size 6200276 diff --git a/Viruses/Q1A0D0/top.pdb b/Viruses/Q1A0D0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..12e1eb1a16b0809a4c8d9c2b655a3d598a6cb11f --- /dev/null +++ b/Viruses/Q1A0D0/top.pdb @@ -0,0 +1,49 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 287.688 236.039 252.923 1.00 0.00 C +ATOM 2 CA SER A 2 284.742 236.844 250.645 1.00 0.00 C +ATOM 3 CA THR A 3 283.238 236.708 247.147 1.00 0.00 C +ATOM 4 CA ASN A 4 281.795 237.643 243.747 1.00 0.00 C +ATOM 5 CA PRO A 5 281.669 237.759 239.941 1.00 0.00 C +ATOM 6 CA GLY A 6 278.232 236.595 238.780 1.00 0.00 C +ATOM 7 CA ARG A 7 276.144 235.116 241.603 1.00 0.00 C +ATOM 8 CA GLU A 8 272.598 234.310 242.741 1.00 0.00 C +ATOM 9 CA HIS A 9 269.951 234.932 240.072 1.00 0.00 C +ATOM 10 CA ALA A 10 267.476 235.628 237.260 1.00 0.00 C +ATOM 11 CA GLU A 11 265.023 234.373 234.629 1.00 0.00 C +ATOM 12 CA LYS A 12 262.231 235.574 232.332 1.00 0.00 C +ATOM 13 CA ARG A 13 259.871 238.565 232.372 1.00 0.00 C +ATOM 14 CA ALA A 14 257.302 240.683 230.520 1.00 0.00 C +ATOM 15 CA ALA A 15 254.333 240.523 228.138 1.00 0.00 C +ATOM 16 CA GLN A 16 250.953 242.085 228.947 1.00 0.00 C +ATOM 17 CA ALA A 17 248.836 245.130 229.819 1.00 0.00 C +ATOM 18 CA ALA A 18 246.507 245.743 232.771 1.00 0.00 C +ATOM 19 CA ALA A 19 245.419 247.811 235.780 1.00 0.00 C +ATOM 20 CA ALA A 20 244.428 246.507 239.221 1.00 0.00 C +ATOM 21 CA ARG A 21 240.893 246.024 240.557 1.00 0.00 C +ATOM 22 CA LYS A 22 238.724 244.914 243.486 1.00 0.00 C +ATOM 23 CA HIS A 23 236.284 244.418 246.370 1.00 0.00 C +ATOM 24 CA ARG A 24 233.465 244.143 248.917 1.00 0.00 C +ATOM 25 CA ASN A 25 232.264 246.938 251.211 1.00 0.00 C +ATOM 26 CA ARG A 26 232.483 250.409 249.655 1.00 0.00 C +ATOM 27 CA ILE A 27 229.406 252.612 249.210 1.00 0.00 C +ATOM 28 CA ARG A 28 229.608 256.217 250.425 1.00 0.00 C +ATOM 29 CA GLU A 29 229.650 258.197 253.680 1.00 0.00 C +ATOM 30 CA MET A 30 232.881 258.646 255.649 1.00 0.00 C +ATOM 31 CA LYS A 31 234.591 261.906 256.630 1.00 0.00 C +ATOM 32 CA ARG A 32 237.647 261.202 258.795 1.00 0.00 C +ATOM 33 CA PRO A 33 240.560 262.879 260.589 1.00 0.00 C +ATOM 34 CA GLY A 34 239.247 264.903 263.538 1.00 0.00 C +ATOM 35 CA LYS A 35 236.094 263.418 265.077 1.00 0.00 C +ATOM 36 CA GLY A 36 233.609 262.647 267.860 1.00 0.00 C +ATOM 37 CA ASN A 37 230.947 263.737 270.359 1.00 0.00 C +ATOM 38 CA ARG A 38 232.178 266.316 272.879 1.00 0.00 C +ATOM 39 CA ASN A 39 234.940 268.458 271.361 1.00 0.00 C +ATOM 40 CA ASN A 40 238.019 268.576 269.121 1.00 0.00 C +ATOM 41 CA TRP A 41 240.602 265.807 269.544 1.00 0.00 C +ATOM 42 CA LYS A 42 243.803 264.560 267.897 1.00 0.00 C +ATOM 43 CA LYS A 43 247.523 264.479 268.718 1.00 0.00 C +ATOM 44 CA GLU A 44 251.235 265.248 269.100 1.00 0.00 C +ATOM 45 CA HIS A 45 254.911 264.777 269.984 1.00 0.00 C +TER 46 HIS A 45 +END diff --git a/Viruses/Q1A4M9/Q1A4M9.dcd b/Viruses/Q1A4M9/Q1A4M9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f47359ebe4e023b63e2b9f5825db0c8191c0faae --- /dev/null +++ b/Viruses/Q1A4M9/Q1A4M9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:307a64941a0f045db3a01a9d63b54268664c612d7de1bba0b8b31f9ec8ef7959 +size 7640276 diff --git a/Viruses/Q1A4M9/top.pdb b/Viruses/Q1A4M9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..56bf7a8f48343f58be8ee7aa2a01c54b90a2697d --- /dev/null +++ b/Viruses/Q1A4M9/top.pdb @@ -0,0 +1,61 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 238.146 241.220 257.142 1.00 0.00 C +ATOM 2 CA VAL A 2 236.743 241.083 253.602 1.00 0.00 C +ATOM 3 CA TYR A 3 237.864 240.175 250.076 1.00 0.00 C +ATOM 4 CA ARG A 4 240.649 237.575 250.148 1.00 0.00 C +ATOM 5 CA ARG A 5 242.510 236.138 247.151 1.00 0.00 C +ATOM 6 CA ARG A 6 245.018 234.972 244.530 1.00 0.00 C +ATOM 7 CA PRO A 7 246.929 235.573 241.289 1.00 0.00 C +ATOM 8 CA GLY A 8 248.654 233.068 238.996 1.00 0.00 C +ATOM 9 CA ARG A 9 251.906 231.810 237.459 1.00 0.00 C +ATOM 10 CA PRO A 10 251.136 228.307 236.175 1.00 0.00 C +ATOM 11 CA ARG A 11 253.031 225.823 238.356 1.00 0.00 C +ATOM 12 CA SER A 12 250.904 223.319 240.286 1.00 0.00 C +ATOM 13 CA ARG A 13 250.581 222.244 243.927 1.00 0.00 C +ATOM 14 CA SER A 14 248.898 224.916 246.058 1.00 0.00 C +ATOM 15 CA ARG A 15 248.304 225.443 249.785 1.00 0.00 C +ATOM 16 CA SER A 16 247.105 223.832 253.022 1.00 0.00 C +ATOM 17 CA ARG A 17 247.388 222.495 256.578 1.00 0.00 C +ATOM 18 CA SER A 18 250.325 224.412 258.065 1.00 0.00 C +ATOM 19 CA ARG A 19 251.941 227.768 257.261 1.00 0.00 C +ATOM 20 CA SER A 20 253.533 230.271 259.651 1.00 0.00 C +ATOM 21 CA TYR A 21 253.483 233.365 261.874 1.00 0.00 C +ATOM 22 CA SER A 22 252.045 236.301 259.917 1.00 0.00 C +ATOM 23 CA ARG A 23 250.502 239.510 258.562 1.00 0.00 C +ATOM 24 CA THR A 24 247.986 241.943 260.069 1.00 0.00 C +ATOM 25 CA ALA A 25 245.553 244.873 260.182 1.00 0.00 C +ATOM 26 CA ALA A 26 245.477 248.028 258.047 1.00 0.00 C +ATOM 27 CA ARG A 27 242.796 250.548 259.037 1.00 0.00 C +ATOM 28 CA ALA A 28 241.193 252.899 261.569 1.00 0.00 C +ATOM 29 CA ARG A 29 237.837 254.615 261.013 1.00 0.00 C +ATOM 30 CA SER A 30 238.662 258.258 260.263 1.00 0.00 C +ATOM 31 CA ARG A 31 239.901 260.826 257.736 1.00 0.00 C +ATOM 32 CA SER A 32 239.436 264.321 256.290 1.00 0.00 C +ATOM 33 CA ARG A 33 242.617 264.960 254.294 1.00 0.00 C +ATOM 34 CA SER A 34 243.758 263.849 250.833 1.00 0.00 C +ATOM 35 CA ARG A 35 247.046 262.753 249.250 1.00 0.00 C +ATOM 36 CA SER A 36 249.898 261.362 247.141 1.00 0.00 C +ATOM 37 CA ARG A 37 253.204 259.635 247.918 1.00 0.00 C +ATOM 38 CA SER A 38 256.544 257.868 247.427 1.00 0.00 C +ATOM 39 CA ARG A 39 260.062 257.150 246.154 1.00 0.00 C +ATOM 40 CA SER A 40 263.302 259.076 245.600 1.00 0.00 C +ATOM 41 CA ARG A 41 265.827 261.344 247.332 1.00 0.00 C +ATOM 42 CA SER A 42 265.199 264.931 248.451 1.00 0.00 C +ATOM 43 CA PRO A 43 262.368 264.994 251.000 1.00 0.00 C +ATOM 44 CA TYR A 44 260.497 267.727 252.883 1.00 0.00 C +ATOM 45 CA ARG A 45 259.291 271.341 252.882 1.00 0.00 C +ATOM 46 CA ARG A 46 259.565 275.115 253.332 1.00 0.00 C +ATOM 47 CA ARG A 47 256.053 276.392 252.593 1.00 0.00 C +ATOM 48 CA SER A 48 254.488 275.509 249.233 1.00 0.00 C +ATOM 49 CA HIS A 49 253.303 275.795 245.624 1.00 0.00 C +ATOM 50 CA GLN A 50 250.000 275.113 243.851 1.00 0.00 C +ATOM 51 CA TYR A 51 248.175 271.818 243.277 1.00 0.00 C +ATOM 52 CA HIS A 52 246.777 268.719 241.557 1.00 0.00 C +ATOM 53 CA VAL A 53 248.430 265.319 241.084 1.00 0.00 C +ATOM 54 CA ASN A 54 251.471 263.225 240.146 1.00 0.00 C +ATOM 55 CA GLN A 55 255.196 263.953 240.478 1.00 0.00 C +ATOM 56 CA TYR A 56 258.410 262.625 242.034 1.00 0.00 C +ATOM 57 CA VAL A 57 262.083 263.496 241.512 1.00 0.00 C +TER 58 VAL A 57 +END diff --git a/Viruses/Q1A4P9/Q1A4P9.dcd b/Viruses/Q1A4P9/Q1A4P9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..68c1f66e96bea3a36749b35ffc23432b26c53794 --- /dev/null +++ b/Viruses/Q1A4P9/Q1A4P9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:32f10ff1b963875df349ba3c52dbb785c29b88f3a06d4ee2f392d02b3971acb3 +size 15200276 diff --git a/Viruses/Q1A4P9/top.pdb b/Viruses/Q1A4P9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c78308a00b1c42c0e75956f3db8ae0ffc9f6c7f2 --- /dev/null +++ b/Viruses/Q1A4P9/top.pdb @@ -0,0 +1,124 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 247.336 198.377 252.226 1.00 0.00 C +ATOM 2 CA SER A 2 250.422 198.549 254.454 1.00 0.00 C +ATOM 3 CA LYS A 3 249.813 201.195 257.127 1.00 0.00 C +ATOM 4 CA ARG A 4 250.899 202.043 260.679 1.00 0.00 C +ATOM 5 CA ARG A 5 251.375 200.098 263.921 1.00 0.00 C +ATOM 6 CA PRO A 6 248.774 201.350 266.408 1.00 0.00 C +ATOM 7 CA LEU A 7 248.223 199.989 269.924 1.00 0.00 C +ATOM 8 CA ARG A 8 250.182 202.237 272.295 1.00 0.00 C +ATOM 9 CA ASP A 9 250.768 203.130 275.952 1.00 0.00 C +ATOM 10 CA ILE A 10 251.288 205.488 278.899 1.00 0.00 C +ATOM 11 CA THR A 11 252.365 208.601 280.814 1.00 0.00 C +ATOM 12 CA ASN A 12 252.101 212.395 281.045 1.00 0.00 C +ATOM 13 CA ASN A 13 254.282 215.375 280.105 1.00 0.00 C +ATOM 14 CA PRO A 14 256.547 217.917 278.395 1.00 0.00 C +ATOM 15 CA ASP A 15 257.478 221.093 276.508 1.00 0.00 C +ATOM 16 CA PRO A 16 259.266 224.415 275.977 1.00 0.00 C +ATOM 17 CA GLU A 17 260.900 227.690 274.919 1.00 0.00 C +ATOM 18 CA TYR A 18 261.857 230.205 277.616 1.00 0.00 C +ATOM 19 CA THR A 19 262.413 233.356 279.684 1.00 0.00 C +ATOM 20 CA TYR A 20 262.851 237.137 279.508 1.00 0.00 C +ATOM 21 CA GLU A 21 259.425 238.635 278.778 1.00 0.00 C +ATOM 22 CA TYR A 22 257.169 241.602 277.988 1.00 0.00 C +ATOM 23 CA ASP A 23 258.153 244.845 276.246 1.00 0.00 C +ATOM 24 CA SER A 24 260.904 247.274 275.224 1.00 0.00 C +ATOM 25 CA GLU A 25 263.183 250.060 276.474 1.00 0.00 C +ATOM 26 CA ASP A 26 265.463 252.720 277.973 1.00 0.00 C +ATOM 27 CA ASN A 27 268.010 254.213 275.566 1.00 0.00 C +ATOM 28 CA TYR A 28 271.385 255.192 277.037 1.00 0.00 C +ATOM 29 CA GLU A 29 274.725 256.763 277.982 1.00 0.00 C +ATOM 30 CA TYR A 30 277.727 254.878 276.584 1.00 0.00 C +ATOM 31 CA PRO A 31 278.259 255.116 272.819 1.00 0.00 C +ATOM 32 CA ASN A 32 277.862 254.777 269.045 1.00 0.00 C +ATOM 33 CA SER A 33 278.911 253.631 265.566 1.00 0.00 C +ATOM 34 CA ILE A 34 278.740 252.551 261.916 1.00 0.00 C +ATOM 35 CA MET A 35 280.524 249.190 261.733 1.00 0.00 C +ATOM 36 CA ASN A 36 280.136 247.130 264.915 1.00 0.00 C +ATOM 37 CA ARG A 37 281.477 244.766 267.585 1.00 0.00 C +ATOM 38 CA ASN A 38 282.443 246.232 270.966 1.00 0.00 C +ATOM 39 CA HIS A 39 284.662 249.066 272.216 1.00 0.00 C +ATOM 40 CA ARG A 40 286.705 252.121 271.212 1.00 0.00 C +ATOM 41 CA SER A 41 286.114 255.858 271.661 1.00 0.00 C +ATOM 42 CA ARG A 42 284.694 259.258 272.628 1.00 0.00 C +ATOM 43 CA ARG A 43 286.989 262.086 271.508 1.00 0.00 C +ATOM 44 CA SER A 44 287.175 264.409 268.494 1.00 0.00 C +ATOM 45 CA THR A 45 288.447 266.349 265.472 1.00 0.00 C +ATOM 46 CA PRO A 46 289.922 269.844 265.121 1.00 0.00 C +ATOM 47 CA ARG A 47 287.098 272.289 265.871 1.00 0.00 C +ATOM 48 CA ASN A 48 284.970 270.830 268.675 1.00 0.00 C +ATOM 49 CA PRO A 49 282.352 273.229 270.055 1.00 0.00 C +ATOM 50 CA SER A 50 280.829 275.099 267.106 1.00 0.00 C +ATOM 51 CA ARG A 51 280.204 278.353 265.226 1.00 0.00 C +ATOM 52 CA SER A 52 277.775 281.283 265.046 1.00 0.00 C +ATOM 53 CA PRO A 53 274.648 280.486 263.021 1.00 0.00 C +ATOM 54 CA SER A 54 271.077 281.634 262.355 1.00 0.00 C +ATOM 55 CA ARG A 55 268.803 279.595 264.633 1.00 0.00 C +ATOM 56 CA SER A 56 266.416 278.858 267.510 1.00 0.00 C +ATOM 57 CA PRO A 57 264.271 275.782 268.180 1.00 0.00 C +ATOM 58 CA SER A 58 263.829 272.765 265.895 1.00 0.00 C +ATOM 59 CA PRO A 59 265.715 273.686 262.715 1.00 0.00 C +ATOM 60 CA GLN A 60 263.044 274.908 260.289 1.00 0.00 C +ATOM 61 CA ARG A 61 260.016 272.629 259.894 1.00 0.00 C +ATOM 62 CA GLN A 62 260.746 268.927 259.363 1.00 0.00 C +ATOM 63 CA ARG A 63 259.160 266.003 261.221 1.00 0.00 C +ATOM 64 CA SER A 64 256.176 263.782 262.045 1.00 0.00 C +ATOM 65 CA ARG A 65 255.516 262.268 265.478 1.00 0.00 C +ATOM 66 CA SER A 66 255.651 260.172 268.657 1.00 0.00 C +ATOM 67 CA ARG A 67 257.483 256.838 268.872 1.00 0.00 C +ATOM 68 CA SER A 68 257.981 253.453 267.196 1.00 0.00 C +ATOM 69 CA ARG A 69 257.266 253.387 263.454 1.00 0.00 C +ATOM 70 CA SER A 70 259.972 253.774 260.800 1.00 0.00 C +ATOM 71 CA ARG A 71 260.305 252.768 257.140 1.00 0.00 C +ATOM 72 CA SER A 72 259.939 254.482 253.757 1.00 0.00 C +ATOM 73 CA ILE A 73 257.746 254.385 250.643 1.00 0.00 C +ATOM 74 CA ASP A 74 254.111 253.454 251.301 1.00 0.00 C +ATOM 75 CA TYR A 75 250.788 254.415 249.704 1.00 0.00 C +ATOM 76 CA SER A 76 247.417 253.958 251.420 1.00 0.00 C +ATOM 77 CA PRO A 77 244.731 255.770 249.415 1.00 0.00 C +ATOM 78 CA VAL A 78 244.189 254.728 245.790 1.00 0.00 C +ATOM 79 CA ARG A 79 244.139 252.947 242.423 1.00 0.00 C +ATOM 80 CA ARG A 80 244.985 253.212 238.717 1.00 0.00 C +ATOM 81 CA SER A 81 246.084 252.217 235.208 1.00 0.00 C +ATOM 82 CA ARG A 82 249.744 251.767 234.249 1.00 0.00 C +ATOM 83 CA SER A 83 251.413 248.957 236.208 1.00 0.00 C +ATOM 84 CA ARG A 84 252.372 245.826 234.261 1.00 0.00 C +ATOM 85 CA SER A 85 249.716 245.511 231.547 1.00 0.00 C +ATOM 86 CA ARG A 86 250.054 246.124 227.802 1.00 0.00 C +ATOM 87 CA SER A 87 250.658 246.954 224.133 1.00 0.00 C +ATOM 88 CA ILE A 88 247.766 246.096 221.806 1.00 0.00 C +ATOM 89 CA ASP A 89 248.020 245.897 218.010 1.00 0.00 C +ATOM 90 CA TYR A 90 245.548 244.525 215.456 1.00 0.00 C +ATOM 91 CA SER A 91 243.229 243.557 212.592 1.00 0.00 C +ATOM 92 CA PRO A 92 240.140 245.701 211.980 1.00 0.00 C +ATOM 93 CA VAL A 93 239.059 244.822 208.434 1.00 0.00 C +ATOM 94 CA ARG A 94 238.654 244.527 204.657 1.00 0.00 C +ATOM 95 CA ARG A 95 235.172 245.842 203.842 1.00 0.00 C +ATOM 96 CA SER A 96 232.384 243.701 202.372 1.00 0.00 C +ATOM 97 CA ARG A 97 229.188 243.052 204.342 1.00 0.00 C +ATOM 98 CA SER A 98 226.267 245.289 205.332 1.00 0.00 C +ATOM 99 CA ARG A 99 222.541 245.229 206.126 1.00 0.00 C +ATOM 100 CA SER A 100 219.486 246.995 207.564 1.00 0.00 C +ATOM 101 CA PRO A 101 216.068 248.626 207.153 1.00 0.00 C +ATOM 102 CA ILE A 102 213.212 251.051 207.847 1.00 0.00 C +ATOM 103 CA ASN A 103 211.670 254.218 209.300 1.00 0.00 C +ATOM 104 CA ARG A 104 209.489 256.724 211.165 1.00 0.00 C +ATOM 105 CA ARG A 105 205.717 257.142 210.834 1.00 0.00 C +ATOM 106 CA SER A 106 202.328 256.955 212.565 1.00 0.00 C +ATOM 107 CA ARG A 107 200.568 254.733 215.111 1.00 0.00 C +ATOM 108 CA SER A 108 199.185 255.971 218.439 1.00 0.00 C +ATOM 109 CA ARG A 109 195.922 257.925 218.662 1.00 0.00 C +ATOM 110 CA SER A 110 193.331 260.215 217.062 1.00 0.00 C +ATOM 111 CA ILE A 111 190.753 262.234 215.114 1.00 0.00 C +ATOM 112 CA GLN A 112 191.446 262.479 211.375 1.00 0.00 C +ATOM 113 CA SER A 113 193.212 265.517 209.903 1.00 0.00 C +ATOM 114 CA ASP A 114 195.664 266.870 212.486 1.00 0.00 C +ATOM 115 CA ASP A 115 195.928 266.982 216.285 1.00 0.00 C +ATOM 116 CA THR A 116 196.419 269.640 218.970 1.00 0.00 C +ATOM 117 CA LEU A 117 196.899 273.342 219.733 1.00 0.00 C +ATOM 118 CA ILE A 118 197.039 273.659 223.527 1.00 0.00 C +ATOM 119 CA LEU A 119 196.714 272.215 227.038 1.00 0.00 C +ATOM 120 CA ASP A 120 193.247 271.556 228.474 1.00 0.00 C +TER 121 ASP A 120 +END diff --git a/Viruses/Q1EGY8/Q1EGY8.dcd b/Viruses/Q1EGY8/Q1EGY8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..7d100f73b3426aec0170431e12ef3bd9ec180fbc --- /dev/null +++ b/Viruses/Q1EGY8/Q1EGY8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:14b30391eaf9a8b7b30fa22e157c4955f6f8bc72e4cf4a59a9a889778d4419d4 +size 13040276 diff --git a/Viruses/Q1EGY8/top.pdb b/Viruses/Q1EGY8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..84744995c7eec0ddf79ade3e553d21486fa93b70 --- /dev/null +++ b/Viruses/Q1EGY8/top.pdb @@ -0,0 +1,106 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ASN A 1 258.505 266.674 251.817 1.00 0.00 C +ATOM 2 CA LEU A 2 258.687 263.911 249.200 1.00 0.00 C +ATOM 3 CA ARG A 3 258.417 260.544 247.437 1.00 0.00 C +ATOM 4 CA ALA A 4 257.768 260.991 243.710 1.00 0.00 C +ATOM 5 CA PRO A 5 256.994 263.839 241.300 1.00 0.00 C +ATOM 6 CA GLY A 6 255.459 265.366 238.165 1.00 0.00 C +ATOM 7 CA GLY A 7 258.000 266.945 235.805 1.00 0.00 C +ATOM 8 CA GLY A 8 260.831 264.707 234.583 1.00 0.00 C +ATOM 9 CA PRO A 9 264.233 264.748 232.868 1.00 0.00 C +ATOM 10 CA ASN A 10 267.336 264.120 230.749 1.00 0.00 C +ATOM 11 CA ASN A 11 268.201 267.175 228.643 1.00 0.00 C +ATOM 12 CA GLY A 12 266.284 267.772 225.405 1.00 0.00 C +ATOM 13 CA PRO A 13 262.619 267.303 224.477 1.00 0.00 C +ATOM 14 CA GLN A 14 261.063 270.158 222.492 1.00 0.00 C +ATOM 15 CA ASP A 15 261.337 272.287 219.344 1.00 0.00 C +ATOM 16 CA PRO A 16 258.801 275.130 219.328 1.00 0.00 C +ATOM 17 CA ASP A 17 257.902 277.488 222.183 1.00 0.00 C +ATOM 18 CA ASN A 18 259.036 281.060 221.500 1.00 0.00 C +ATOM 19 CA THR A 19 261.139 284.055 222.559 1.00 0.00 C +ATOM 20 CA ASP A 20 263.292 286.200 224.858 1.00 0.00 C +ATOM 21 CA ASP A 21 264.210 284.144 227.932 1.00 0.00 C +ATOM 22 CA ASN A 22 263.017 284.612 231.520 1.00 0.00 C +ATOM 23 CA GLY A 23 261.768 281.749 233.702 1.00 0.00 C +ATOM 24 CA PRO A 24 260.599 280.403 237.069 1.00 0.00 C +ATOM 25 CA GLN A 25 257.595 278.069 236.873 1.00 0.00 C +ATOM 26 CA ASP A 26 257.617 274.928 239.030 1.00 0.00 C +ATOM 27 CA PRO A 27 259.274 272.620 241.568 1.00 0.00 C +ATOM 28 CA ASP A 28 261.366 270.043 239.698 1.00 0.00 C +ATOM 29 CA ASN A 29 265.034 269.240 239.048 1.00 0.00 C +ATOM 30 CA THR A 30 267.087 270.542 236.115 1.00 0.00 C +ATOM 31 CA ASP A 31 266.165 271.697 232.603 1.00 0.00 C +ATOM 32 CA ASP A 32 262.733 273.334 232.373 1.00 0.00 C +ATOM 33 CA ASN A 33 258.940 273.474 232.703 1.00 0.00 C +ATOM 34 CA SER A 34 255.207 272.764 232.420 1.00 0.00 C +ATOM 35 CA PRO A 35 252.303 270.614 233.630 1.00 0.00 C +ATOM 36 CA GLN A 36 250.106 269.339 236.469 1.00 0.00 C +ATOM 37 CA GLY A 37 246.675 268.594 234.989 1.00 0.00 C +ATOM 38 CA PRO A 38 243.193 267.363 234.054 1.00 0.00 C +ATOM 39 CA ASP A 39 241.878 265.595 237.162 1.00 0.00 C +ATOM 40 CA ASN A 40 238.701 265.689 239.264 1.00 0.00 C +ATOM 41 CA THR A 41 239.653 266.819 242.776 1.00 0.00 C +ATOM 42 CA ASP A 42 237.391 268.997 244.934 1.00 0.00 C +ATOM 43 CA ASP A 43 235.689 266.535 247.291 1.00 0.00 C +ATOM 44 CA ASN A 44 233.549 265.861 250.371 1.00 0.00 C +ATOM 45 CA SER A 45 230.370 263.762 250.305 1.00 0.00 C +ATOM 46 CA PRO A 46 230.451 261.993 246.931 1.00 0.00 C +ATOM 47 CA GLN A 47 232.172 262.327 243.549 1.00 0.00 C +ATOM 48 CA GLY A 48 234.997 261.012 241.357 1.00 0.00 C +ATOM 49 CA PRO A 49 237.538 259.479 243.747 1.00 0.00 C +ATOM 50 CA ASP A 50 239.453 260.409 246.907 1.00 0.00 C +ATOM 51 CA ASN A 51 243.216 259.998 246.470 1.00 0.00 C +ATOM 52 CA THR A 52 245.523 261.071 249.305 1.00 0.00 C +ATOM 53 CA ASP A 53 248.860 259.524 250.296 1.00 0.00 C +ATOM 54 CA ASP A 54 249.996 259.055 253.903 1.00 0.00 C +ATOM 55 CA ASN A 55 248.136 256.976 256.497 1.00 0.00 C +ATOM 56 CA GLY A 56 246.217 253.932 255.246 1.00 0.00 C +ATOM 57 CA PRO A 57 246.493 251.204 252.600 1.00 0.00 C +ATOM 58 CA HIS A 58 248.951 252.294 249.900 1.00 0.00 C +ATOM 59 CA ASP A 59 252.372 250.639 250.165 1.00 0.00 C +ATOM 60 CA PRO A 60 255.879 249.153 250.270 1.00 0.00 C +ATOM 61 CA LEU A 61 257.798 249.811 253.495 1.00 0.00 C +ATOM 62 CA PRO A 62 256.497 249.818 257.075 1.00 0.00 C +ATOM 63 CA GLN A 63 255.344 252.424 259.604 1.00 0.00 C +ATOM 64 CA ASN A 64 254.362 250.689 262.851 1.00 0.00 C +ATOM 65 CA PRO A 65 254.123 246.939 262.221 1.00 0.00 C +ATOM 66 CA CYS A 66 256.431 244.048 261.311 1.00 0.00 C +ATOM 67 CA ASP A 67 254.674 240.696 260.868 1.00 0.00 C +ATOM 68 CA SER A 68 251.104 240.174 262.092 1.00 0.00 C +ATOM 69 CA ALA A 69 248.302 242.685 261.489 1.00 0.00 C +ATOM 70 CA GLY A 70 244.967 240.850 261.642 1.00 0.00 C +ATOM 71 CA ASN A 71 245.251 237.942 264.088 1.00 0.00 C +ATOM 72 CA ASP A 72 247.482 237.928 267.177 1.00 0.00 C +ATOM 73 CA ALA A 73 250.913 236.336 266.722 1.00 0.00 C +ATOM 74 CA GLY A 74 252.142 235.384 270.200 1.00 0.00 C +ATOM 75 CA PRO A 75 253.277 232.311 272.145 1.00 0.00 C +ATOM 76 CA PRO A 76 250.389 229.920 272.820 1.00 0.00 C +ATOM 77 CA PRO A 77 248.272 229.966 275.987 1.00 0.00 C +ATOM 78 CA LEU A 78 247.668 233.440 277.430 1.00 0.00 C +ATOM 79 CA THR A 79 243.888 233.698 277.835 1.00 0.00 C +ATOM 80 CA ASP A 80 240.228 232.711 277.453 1.00 0.00 C +ATOM 81 CA GLY A 81 238.625 229.572 276.006 1.00 0.00 C +ATOM 82 CA GLY A 82 239.871 227.005 273.482 1.00 0.00 C +ATOM 83 CA GLY A 83 238.341 223.571 274.099 1.00 0.00 C +ATOM 84 CA GLY A 84 235.380 224.267 276.394 1.00 0.00 C +ATOM 85 CA HIS A 85 233.181 221.160 276.561 1.00 0.00 C +ATOM 86 CA SER A 86 234.356 218.540 274.056 1.00 0.00 C +ATOM 87 CA HIS A 87 235.364 215.350 275.879 1.00 0.00 C +ATOM 88 CA ASP A 88 235.716 211.922 277.506 1.00 0.00 C +ATOM 89 CA SER A 89 237.625 208.963 278.960 1.00 0.00 C +ATOM 90 CA GLY A 90 240.544 207.707 276.860 1.00 0.00 C +ATOM 91 CA HIS A 91 241.470 204.817 274.556 1.00 0.00 C +ATOM 92 CA GLY A 92 243.448 202.788 272.009 1.00 0.00 C +ATOM 93 CA GLY A 93 242.699 200.789 268.853 1.00 0.00 C +ATOM 94 CA GLY A 94 244.685 202.371 266.012 1.00 0.00 C +ATOM 95 CA ASP A 95 245.977 203.511 262.614 1.00 0.00 C +ATOM 96 CA PRO A 96 246.542 206.703 260.611 1.00 0.00 C +ATOM 97 CA PRO A 97 244.626 206.655 257.318 1.00 0.00 C +ATOM 98 CA LEU A 98 244.181 207.531 253.637 1.00 0.00 C +ATOM 99 CA PRO A 99 244.487 209.129 250.192 1.00 0.00 C +ATOM 100 CA THR A 100 245.245 206.854 247.231 1.00 0.00 C +ATOM 101 CA LEU A 101 245.135 206.958 243.424 1.00 0.00 C +ATOM 102 CA LEU A 102 243.115 209.737 241.776 1.00 0.00 C +TER 103 LEU A 102 +END diff --git a/Viruses/Q1EGZ1/Q1EGZ1.dcd b/Viruses/Q1EGZ1/Q1EGZ1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..54fcfbfff0f4555078d8719fbdf49f401d78c5c7 --- /dev/null +++ b/Viruses/Q1EGZ1/Q1EGZ1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2608408c8d1d50c7a3bd88589e55875d365ad8866718a4b78db2f17cc32b9375 +size 13640276 diff --git a/Viruses/Q1EGZ1/top.pdb b/Viruses/Q1EGZ1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..413ad7641690d87bb179ae3ffb866555aa2610a0 --- /dev/null +++ b/Viruses/Q1EGZ1/top.pdb @@ -0,0 +1,111 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ASN A 1 240.287 281.684 255.891 1.00 0.00 C +ATOM 2 CA LEU A 2 237.505 280.991 258.400 1.00 0.00 C +ATOM 3 CA LEU A 3 234.608 282.093 260.616 1.00 0.00 C +ATOM 4 CA ALA A 4 231.104 283.132 259.538 1.00 0.00 C +ATOM 5 CA PRO A 5 228.488 280.764 258.102 1.00 0.00 C +ATOM 6 CA GLY A 6 227.455 277.168 258.826 1.00 0.00 C +ATOM 7 CA GLY A 7 227.913 273.521 257.825 1.00 0.00 C +ATOM 8 CA GLY A 8 230.557 271.499 255.970 1.00 0.00 C +ATOM 9 CA PRO A 9 231.760 267.999 256.874 1.00 0.00 C +ATOM 10 CA ASP A 10 234.277 268.475 259.695 1.00 0.00 C +ATOM 11 CA ASN A 11 236.432 266.434 262.083 1.00 0.00 C +ATOM 12 CA GLY A 12 236.975 264.137 265.074 1.00 0.00 C +ATOM 13 CA PRO A 13 239.146 262.631 267.819 1.00 0.00 C +ATOM 14 CA GLN A 14 239.632 258.857 268.012 1.00 0.00 C +ATOM 15 CA ASP A 15 237.852 255.799 266.599 1.00 0.00 C +ATOM 16 CA PRO A 16 239.574 254.322 263.538 1.00 0.00 C +ATOM 17 CA ASP A 17 242.439 256.541 262.361 1.00 0.00 C +ATOM 18 CA ASN A 18 245.082 254.890 260.169 1.00 0.00 C +ATOM 19 CA THR A 19 248.727 255.025 261.270 1.00 0.00 C +ATOM 20 CA ASP A 20 251.353 253.308 263.432 1.00 0.00 C +ATOM 21 CA ASP A 21 250.006 250.298 265.341 1.00 0.00 C +ATOM 22 CA ASN A 22 248.195 251.069 268.603 1.00 0.00 C +ATOM 23 CA GLY A 23 246.783 253.565 271.111 1.00 0.00 C +ATOM 24 CA PRO A 24 246.460 257.320 271.666 1.00 0.00 C +ATOM 25 CA GLN A 25 249.977 258.726 271.253 1.00 0.00 C +ATOM 26 CA ASP A 26 249.834 261.769 268.966 1.00 0.00 C +ATOM 27 CA PRO A 27 249.604 265.126 270.754 1.00 0.00 C +ATOM 28 CA ASP A 28 248.571 268.239 268.816 1.00 0.00 C +ATOM 29 CA ASN A 29 251.259 268.604 266.140 1.00 0.00 C +ATOM 30 CA THR A 30 252.725 271.311 263.896 1.00 0.00 C +ATOM 31 CA ASP A 31 254.742 274.092 262.248 1.00 0.00 C +ATOM 32 CA ASP A 32 258.468 274.884 262.145 1.00 0.00 C +ATOM 33 CA ASN A 33 261.902 273.240 262.018 1.00 0.00 C +ATOM 34 CA GLY A 34 263.653 270.468 260.077 1.00 0.00 C +ATOM 35 CA PRO A 35 265.967 268.752 257.584 1.00 0.00 C +ATOM 36 CA GLN A 36 266.641 265.455 255.798 1.00 0.00 C +ATOM 37 CA ASP A 37 268.931 265.977 252.798 1.00 0.00 C +ATOM 38 CA PRO A 38 271.792 268.374 252.033 1.00 0.00 C +ATOM 39 CA ASP A 39 274.356 266.677 249.783 1.00 0.00 C +ATOM 40 CA ASN A 40 277.860 265.440 248.944 1.00 0.00 C +ATOM 41 CA THR A 41 278.054 261.642 248.714 1.00 0.00 C +ATOM 42 CA ASP A 42 274.520 260.258 249.041 1.00 0.00 C +ATOM 43 CA ASP A 43 270.970 259.989 247.684 1.00 0.00 C +ATOM 44 CA ASN A 44 267.796 261.954 248.446 1.00 0.00 C +ATOM 45 CA GLY A 45 266.373 260.308 251.574 1.00 0.00 C +ATOM 46 CA PRO A 46 263.403 258.446 253.068 1.00 0.00 C +ATOM 47 CA HIS A 47 259.988 259.482 254.400 1.00 0.00 C +ATOM 48 CA ASP A 48 256.882 261.678 254.170 1.00 0.00 C +ATOM 49 CA PRO A 49 254.285 262.325 251.458 1.00 0.00 C +ATOM 50 CA LEU A 50 252.703 265.479 250.020 1.00 0.00 C +ATOM 51 CA PRO A 51 249.428 266.812 248.603 1.00 0.00 C +ATOM 52 CA HIS A 52 245.815 266.834 247.393 1.00 0.00 C +ATOM 53 CA ASN A 53 242.347 268.038 248.413 1.00 0.00 C +ATOM 54 CA PRO A 54 239.784 265.819 250.152 1.00 0.00 C +ATOM 55 CA CYS A 55 237.184 263.586 251.816 1.00 0.00 C +ATOM 56 CA ASP A 56 234.121 261.808 253.220 1.00 0.00 C +ATOM 57 CA SER A 57 231.424 261.999 250.535 1.00 0.00 C +ATOM 58 CA ALA A 58 228.600 260.750 248.303 1.00 0.00 C +ATOM 59 CA GLY A 59 226.739 257.562 247.362 1.00 0.00 C +ATOM 60 CA ASN A 60 225.809 256.717 243.765 1.00 0.00 C +ATOM 61 CA ASP A 61 224.349 255.161 240.609 1.00 0.00 C +ATOM 62 CA ALA A 62 223.880 251.767 238.943 1.00 0.00 C +ATOM 63 CA GLY A 63 223.222 249.187 236.217 1.00 0.00 C +ATOM 64 CA PRO A 64 224.724 248.766 232.741 1.00 0.00 C +ATOM 65 CA PRO A 65 228.482 248.467 233.294 1.00 0.00 C +ATOM 66 CA ASN A 66 230.755 245.997 235.095 1.00 0.00 C +ATOM 67 CA PHE A 67 234.277 247.372 234.620 1.00 0.00 C +ATOM 68 CA THR A 68 237.640 247.716 236.376 1.00 0.00 C +ATOM 69 CA GLU A 69 240.540 245.414 235.478 1.00 0.00 C +ATOM 70 CA GLU A 70 242.860 242.614 234.341 1.00 0.00 C +ATOM 71 CA ALA A 71 246.309 241.981 235.830 1.00 0.00 C +ATOM 72 CA GLU A 72 249.705 242.375 237.511 1.00 0.00 C +ATOM 73 CA ASN A 73 253.093 243.185 239.054 1.00 0.00 C +ATOM 74 CA LYS A 74 256.121 245.188 240.209 1.00 0.00 C +ATOM 75 CA GLY A 75 256.128 248.118 242.645 1.00 0.00 C +ATOM 76 CA GLY A 76 254.466 246.904 245.851 1.00 0.00 C +ATOM 77 CA ASP A 77 253.851 244.427 248.680 1.00 0.00 C +ATOM 78 CA GLN A 78 252.784 240.794 248.257 1.00 0.00 C +ATOM 79 CA GLY A 79 254.381 238.592 250.924 1.00 0.00 C +ATOM 80 CA PRO A 80 256.172 236.560 253.604 1.00 0.00 C +ATOM 81 CA PRO A 81 258.194 237.386 256.726 1.00 0.00 C +ATOM 82 CA PRO A 82 258.193 234.297 258.957 1.00 0.00 C +ATOM 83 CA MET A 83 257.656 231.019 257.091 1.00 0.00 C +ATOM 84 CA THR A 84 255.705 228.245 258.828 1.00 0.00 C +ATOM 85 CA ASP A 85 253.775 225.376 257.228 1.00 0.00 C +ATOM 86 CA GLY A 86 255.183 223.129 254.492 1.00 0.00 C +ATOM 87 CA GLY A 87 256.988 220.365 256.395 1.00 0.00 C +ATOM 88 CA GLY A 88 260.143 218.533 255.297 1.00 0.00 C +ATOM 89 CA GLY A 89 262.937 218.828 252.723 1.00 0.00 C +ATOM 90 CA HIS A 90 263.663 219.779 249.106 1.00 0.00 C +ATOM 91 CA SER A 91 265.450 222.947 247.970 1.00 0.00 C +ATOM 92 CA HIS A 92 264.518 226.495 246.939 1.00 0.00 C +ATOM 93 CA ASP A 93 263.938 226.627 243.176 1.00 0.00 C +ATOM 94 CA SER A 94 262.542 223.921 240.886 1.00 0.00 C +ATOM 95 CA GLY A 95 263.793 220.399 240.147 1.00 0.00 C +ATOM 96 CA HIS A 96 262.098 218.348 237.420 1.00 0.00 C +ATOM 97 CA ASP A 97 262.396 214.809 236.041 1.00 0.00 C +ATOM 98 CA GLY A 98 261.768 215.121 232.296 1.00 0.00 C +ATOM 99 CA GLY A 99 260.224 212.543 229.954 1.00 0.00 C +ATOM 100 CA ASP A 100 261.147 210.634 226.789 1.00 0.00 C +ATOM 101 CA PRO A 101 259.478 207.817 224.840 1.00 0.00 C +ATOM 102 CA PRO A 102 259.263 209.020 221.231 1.00 0.00 C +ATOM 103 CA LEU A 103 257.089 210.719 218.603 1.00 0.00 C +ATOM 104 CA PRO A 104 254.127 213.115 218.549 1.00 0.00 C +ATOM 105 CA THR A 105 254.508 216.739 217.435 1.00 0.00 C +ATOM 106 CA LEU A 106 253.827 219.916 219.424 1.00 0.00 C +ATOM 107 CA LEU A 107 252.537 223.151 220.970 1.00 0.00 C +TER 108 LEU A 107 +END diff --git a/Viruses/Q1EGZ2/Q1EGZ2.dcd b/Viruses/Q1EGZ2/Q1EGZ2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b7d1817d360923ff51743c1b89478d3a09a4489b --- /dev/null +++ b/Viruses/Q1EGZ2/Q1EGZ2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:784a721629850f2db718ffdcd5f76756710da6a2722996dc1d316b9d23a1706e +size 14960276 diff --git a/Viruses/Q1EGZ2/top.pdb b/Viruses/Q1EGZ2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..6566c397f0519879fce731228bc5d1e691ededd0 --- /dev/null +++ b/Viruses/Q1EGZ2/top.pdb @@ -0,0 +1,122 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ASN A 1 280.884 212.734 283.700 1.00 0.00 C +ATOM 2 CA LEU A 2 279.687 216.169 284.832 1.00 0.00 C +ATOM 3 CA GLY A 3 277.066 216.733 287.539 1.00 0.00 C +ATOM 4 CA ALA A 4 273.628 216.872 285.904 1.00 0.00 C +ATOM 5 CA PRO A 5 274.029 217.327 282.143 1.00 0.00 C +ATOM 6 CA GLY A 6 273.250 220.628 280.407 1.00 0.00 C +ATOM 7 CA GLY A 7 272.874 222.832 277.323 1.00 0.00 C +ATOM 8 CA GLY A 8 273.489 223.163 273.577 1.00 0.00 C +ATOM 9 CA PRO A 9 270.830 222.567 270.915 1.00 0.00 C +ATOM 10 CA ASN A 10 268.151 219.882 270.562 1.00 0.00 C +ATOM 11 CA ASN A 11 265.788 217.749 272.655 1.00 0.00 C +ATOM 12 CA GLY A 12 262.802 215.429 272.189 1.00 0.00 C +ATOM 13 CA PRO A 13 262.285 213.141 269.186 1.00 0.00 C +ATOM 14 CA GLN A 14 264.817 213.891 266.439 1.00 0.00 C +ATOM 15 CA GLY A 15 265.376 213.834 262.671 1.00 0.00 C +ATOM 16 CA PRO A 16 263.738 212.960 259.344 1.00 0.00 C +ATOM 17 CA ASP A 17 266.106 210.638 257.468 1.00 0.00 C +ATOM 18 CA ASN A 18 267.502 207.535 259.182 1.00 0.00 C +ATOM 19 CA THR A 19 270.954 206.132 258.388 1.00 0.00 C +ATOM 20 CA ASP A 20 271.645 207.058 254.758 1.00 0.00 C +ATOM 21 CA ASP A 21 271.986 210.097 252.486 1.00 0.00 C +ATOM 22 CA ASN A 22 269.641 211.898 250.084 1.00 0.00 C +ATOM 23 CA SER A 23 269.007 215.194 248.279 1.00 0.00 C +ATOM 24 CA PRO A 24 271.895 215.547 245.819 1.00 0.00 C +ATOM 25 CA GLN A 25 275.312 214.117 244.925 1.00 0.00 C +ATOM 26 CA GLY A 26 278.688 215.742 244.238 1.00 0.00 C +ATOM 27 CA PRO A 27 280.752 217.722 241.720 1.00 0.00 C +ATOM 28 CA ASP A 28 284.334 216.429 241.606 1.00 0.00 C +ATOM 29 CA ASN A 29 287.910 217.516 242.346 1.00 0.00 C +ATOM 30 CA THR A 30 289.472 220.974 242.005 1.00 0.00 C +ATOM 31 CA ASP A 31 287.855 222.599 238.961 1.00 0.00 C +ATOM 32 CA ASP A 32 284.802 224.552 240.138 1.00 0.00 C +ATOM 33 CA ASN A 33 282.236 227.286 240.815 1.00 0.00 C +ATOM 34 CA SER A 34 279.687 227.143 243.643 1.00 0.00 C +ATOM 35 CA PRO A 35 277.123 228.507 246.108 1.00 0.00 C +ATOM 36 CA GLN A 36 276.210 232.194 245.812 1.00 0.00 C +ATOM 37 CA GLY A 37 274.878 233.671 242.562 1.00 0.00 C +ATOM 38 CA PRO A 38 271.691 232.761 240.683 1.00 0.00 C +ATOM 39 CA ASP A 39 268.381 231.697 239.125 1.00 0.00 C +ATOM 40 CA ASN A 40 264.623 232.326 239.112 1.00 0.00 C +ATOM 41 CA THR A 41 261.353 233.784 240.416 1.00 0.00 C +ATOM 42 CA ASP A 42 260.174 237.047 241.990 1.00 0.00 C +ATOM 43 CA ASP A 43 260.286 240.157 244.188 1.00 0.00 C +ATOM 44 CA ASN A 44 258.320 243.331 243.429 1.00 0.00 C +ATOM 45 CA SER A 45 258.940 244.164 239.763 1.00 0.00 C +ATOM 46 CA PRO A 46 257.863 243.048 236.283 1.00 0.00 C +ATOM 47 CA GLN A 47 257.062 239.408 235.492 1.00 0.00 C +ATOM 48 CA GLY A 48 254.310 236.803 235.882 1.00 0.00 C +ATOM 49 CA PRO A 49 251.924 238.118 238.545 1.00 0.00 C +ATOM 50 CA ASP A 50 250.993 241.653 239.621 1.00 0.00 C +ATOM 51 CA ASN A 51 247.868 242.573 237.646 1.00 0.00 C +ATOM 52 CA THR A 52 244.928 240.978 239.470 1.00 0.00 C +ATOM 53 CA ASP A 53 245.539 241.804 243.139 1.00 0.00 C +ATOM 54 CA ASP A 54 248.042 244.050 244.930 1.00 0.00 C +ATOM 55 CA ASN A 55 246.302 246.511 247.261 1.00 0.00 C +ATOM 56 CA GLY A 56 245.942 249.740 245.270 1.00 0.00 C +ATOM 57 CA PRO A 57 245.953 249.069 241.520 1.00 0.00 C +ATOM 58 CA HIS A 58 242.646 250.033 239.892 1.00 0.00 C +ATOM 59 CA ASP A 59 241.977 253.651 238.901 1.00 0.00 C +ATOM 60 CA PRO A 60 241.274 257.395 238.968 1.00 0.00 C +ATOM 61 CA LEU A 61 243.919 260.136 239.003 1.00 0.00 C +ATOM 62 CA PRO A 62 245.222 262.945 241.223 1.00 0.00 C +ATOM 63 CA GLN A 63 248.263 265.169 241.791 1.00 0.00 C +ATOM 64 CA ASN A 64 249.491 268.705 242.501 1.00 0.00 C +ATOM 65 CA PRO A 65 250.464 272.335 241.874 1.00 0.00 C +ATOM 66 CA CYS A 66 250.205 275.429 244.081 1.00 0.00 C +ATOM 67 CA ASP A 67 251.538 276.695 247.419 1.00 0.00 C +ATOM 68 CA SER A 68 249.260 278.628 249.784 1.00 0.00 C +ATOM 69 CA ALA A 69 248.190 277.179 253.141 1.00 0.00 C +ATOM 70 CA GLY A 70 248.651 279.082 256.409 1.00 0.00 C +ATOM 71 CA ASN A 71 250.419 282.406 255.822 1.00 0.00 C +ATOM 72 CA ASP A 72 251.470 285.997 256.543 1.00 0.00 C +ATOM 73 CA ALA A 73 249.087 288.949 256.899 1.00 0.00 C +ATOM 74 CA GLY A 74 247.031 290.591 254.143 1.00 0.00 C +ATOM 75 CA PRO A 75 244.604 293.011 252.479 1.00 0.00 C +ATOM 76 CA PRO A 76 241.410 294.118 250.720 1.00 0.00 C +ATOM 77 CA ASN A 77 240.848 292.105 247.535 1.00 0.00 C +ATOM 78 CA LEU A 78 244.136 290.289 246.893 1.00 0.00 C +ATOM 79 CA THR A 79 246.738 291.013 244.205 1.00 0.00 C +ATOM 80 CA GLU A 80 245.655 288.864 241.252 1.00 0.00 C +ATOM 81 CA GLN A 81 243.083 286.072 240.924 1.00 0.00 C +ATOM 82 CA VAL A 82 240.602 285.154 238.182 1.00 0.00 C +ATOM 83 CA GLU A 83 241.000 281.708 236.606 1.00 0.00 C +ATOM 84 CA ASN A 84 241.333 277.959 237.200 1.00 0.00 C +ATOM 85 CA LYS A 85 238.973 275.385 235.677 1.00 0.00 C +ATOM 86 CA GLY A 86 235.734 276.887 234.346 1.00 0.00 C +ATOM 87 CA GLY A 87 234.156 275.952 231.006 1.00 0.00 C +ATOM 88 CA ASP A 88 230.873 277.343 229.662 1.00 0.00 C +ATOM 89 CA GLN A 89 227.353 278.462 230.595 1.00 0.00 C +ATOM 90 CA GLY A 90 223.695 277.553 231.152 1.00 0.00 C +ATOM 91 CA PRO A 91 223.433 276.973 234.908 1.00 0.00 C +ATOM 92 CA PRO A 92 219.956 276.324 236.326 1.00 0.00 C +ATOM 93 CA PRO A 93 220.150 273.594 238.977 1.00 0.00 C +ATOM 94 CA MET A 94 222.178 273.582 242.203 1.00 0.00 C +ATOM 95 CA THR A 95 225.236 274.789 244.129 1.00 0.00 C +ATOM 96 CA ASP A 96 227.496 272.536 246.211 1.00 0.00 C +ATOM 97 CA GLY A 97 228.586 268.974 247.009 1.00 0.00 C +ATOM 98 CA GLY A 98 230.014 266.095 249.056 1.00 0.00 C +ATOM 99 CA GLY A 99 230.404 264.335 252.412 1.00 0.00 C +ATOM 100 CA GLY A 100 227.624 265.454 254.765 1.00 0.00 C +ATOM 101 CA HIS A 101 228.101 264.239 258.344 1.00 0.00 C +ATOM 102 CA SER A 102 226.938 265.985 261.525 1.00 0.00 C +ATOM 103 CA HIS A 103 227.220 269.619 262.634 1.00 0.00 C +ATOM 104 CA ASP A 104 226.557 273.256 261.715 1.00 0.00 C +ATOM 105 CA SER A 105 225.419 275.008 264.901 1.00 0.00 C +ATOM 106 CA GLY A 106 222.065 276.567 265.817 1.00 0.00 C +ATOM 107 CA HIS A 107 219.357 274.280 264.419 1.00 0.00 C +ATOM 108 CA GLY A 108 218.237 270.657 264.052 1.00 0.00 C +ATOM 109 CA GLY A 109 216.892 267.788 261.936 1.00 0.00 C +ATOM 110 CA GLY A 110 216.609 265.586 258.840 1.00 0.00 C +ATOM 111 CA ASP A 111 215.785 262.201 257.299 1.00 0.00 C +ATOM 112 CA PRO A 112 216.175 260.801 253.777 1.00 0.00 C +ATOM 113 CA PRO A 113 214.650 257.316 253.999 1.00 0.00 C +ATOM 114 CA LEU A 114 216.943 254.822 252.256 1.00 0.00 C +ATOM 115 CA PRO A 115 220.590 253.785 251.879 1.00 0.00 C +ATOM 116 CA THR A 116 221.865 254.096 248.302 1.00 0.00 C +ATOM 117 CA LEU A 117 219.411 253.540 245.441 1.00 0.00 C +ATOM 118 CA LEU A 118 215.626 253.119 245.543 1.00 0.00 C +TER 119 LEU A 118 +END diff --git a/Viruses/Q1EH05/Q1EH05.dcd b/Viruses/Q1EH05/Q1EH05.dcd new file mode 100644 index 0000000000000000000000000000000000000000..de144167d46f525beb1a68c53e595858b5995faf --- /dev/null +++ b/Viruses/Q1EH05/Q1EH05.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2e77e2d9799f1d42dd49a168aabaf33684e3cbee1c251b083a7463e592f4dc1e +size 17600276 diff --git a/Viruses/Q1EH05/top.pdb b/Viruses/Q1EH05/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..99ad9a5118f6070b6ff44f2497e1554b9f53cd18 --- /dev/null +++ b/Viruses/Q1EH05/top.pdb @@ -0,0 +1,144 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ASN A 1 266.314 199.974 235.467 1.00 0.00 C +ATOM 2 CA LEU A 2 269.124 198.577 237.628 1.00 0.00 C +ATOM 3 CA GLY A 3 272.756 199.386 238.446 1.00 0.00 C +ATOM 4 CA ALA A 4 276.246 200.897 238.210 1.00 0.00 C +ATOM 5 CA PRO A 5 279.602 200.247 239.893 1.00 0.00 C +ATOM 6 CA GLY A 6 280.559 203.204 242.096 1.00 0.00 C +ATOM 7 CA GLY A 7 278.447 206.156 243.254 1.00 0.00 C +ATOM 8 CA GLY A 8 274.874 205.634 242.038 1.00 0.00 C +ATOM 9 CA PRO A 9 273.406 209.088 241.382 1.00 0.00 C +ATOM 10 CA ASP A 10 274.552 212.207 239.519 1.00 0.00 C +ATOM 11 CA ASN A 11 277.348 214.081 241.306 1.00 0.00 C +ATOM 12 CA ALA A 12 280.725 215.540 240.315 1.00 0.00 C +ATOM 13 CA PRO A 13 282.191 218.839 239.098 1.00 0.00 C +ATOM 14 CA GLN A 14 283.636 222.220 238.099 1.00 0.00 C +ATOM 15 CA ASP A 15 286.838 224.171 238.774 1.00 0.00 C +ATOM 16 CA PRO A 16 289.717 225.040 241.113 1.00 0.00 C +ATOM 17 CA ASP A 17 292.481 227.123 242.706 1.00 0.00 C +ATOM 18 CA ASN A 18 295.383 228.815 244.504 1.00 0.00 C +ATOM 19 CA THR A 19 298.550 227.645 246.270 1.00 0.00 C +ATOM 20 CA ASP A 20 299.961 224.116 246.532 1.00 0.00 C +ATOM 21 CA ASP A 21 301.780 220.890 245.637 1.00 0.00 C +ATOM 22 CA ASN A 22 302.809 218.509 248.427 1.00 0.00 C +ATOM 23 CA GLY A 23 305.918 217.204 250.201 1.00 0.00 C +ATOM 24 CA PRO A 24 305.640 216.880 253.987 1.00 0.00 C +ATOM 25 CA GLN A 25 306.855 215.696 257.399 1.00 0.00 C +ATOM 26 CA ASP A 26 304.012 216.182 259.888 1.00 0.00 C +ATOM 27 CA PRO A 27 304.769 217.521 263.374 1.00 0.00 C +ATOM 28 CA ASP A 28 302.614 217.679 266.512 1.00 0.00 C +ATOM 29 CA ASN A 29 301.654 219.756 269.558 1.00 0.00 C +ATOM 30 CA THR A 30 302.039 222.747 271.886 1.00 0.00 C +ATOM 31 CA ASP A 31 299.567 223.552 274.672 1.00 0.00 C +ATOM 32 CA ASP A 32 300.252 224.273 278.350 1.00 0.00 C +ATOM 33 CA ASN A 33 297.776 225.053 281.139 1.00 0.00 C +ATOM 34 CA GLY A 34 294.334 223.576 281.836 1.00 0.00 C +ATOM 35 CA PRO A 35 291.681 225.938 280.457 1.00 0.00 C +ATOM 36 CA GLN A 36 290.790 225.901 276.753 1.00 0.00 C +ATOM 37 CA ASP A 37 288.052 223.448 275.752 1.00 0.00 C +ATOM 38 CA PRO A 38 286.118 223.397 272.470 1.00 0.00 C +ATOM 39 CA ASP A 39 286.243 225.964 269.657 1.00 0.00 C +ATOM 40 CA ASN A 40 283.491 227.139 267.298 1.00 0.00 C +ATOM 41 CA THR A 41 281.786 227.691 263.937 1.00 0.00 C +ATOM 42 CA ASP A 42 277.983 227.831 263.746 1.00 0.00 C +ATOM 43 CA ASP A 43 275.564 229.897 265.843 1.00 0.00 C +ATOM 44 CA ASN A 44 272.283 229.467 267.731 1.00 0.00 C +ATOM 45 CA GLY A 45 269.792 226.682 268.477 1.00 0.00 C +ATOM 46 CA PRO A 46 266.563 226.152 270.428 1.00 0.00 C +ATOM 47 CA GLN A 47 263.189 227.152 271.888 1.00 0.00 C +ATOM 48 CA ASP A 48 259.481 228.028 271.965 1.00 0.00 C +ATOM 49 CA PRO A 49 258.083 230.510 269.435 1.00 0.00 C +ATOM 50 CA ASP A 50 259.851 233.612 268.105 1.00 0.00 C +ATOM 51 CA ASN A 51 259.961 235.224 264.654 1.00 0.00 C +ATOM 52 CA THR A 52 259.115 238.937 264.763 1.00 0.00 C +ATOM 53 CA ASP A 53 256.431 241.313 263.471 1.00 0.00 C +ATOM 54 CA ASP A 54 253.750 243.890 264.297 1.00 0.00 C +ATOM 55 CA ASN A 55 250.037 243.062 264.076 1.00 0.00 C +ATOM 56 CA GLY A 56 247.604 244.251 261.396 1.00 0.00 C +ATOM 57 CA PRO A 57 245.540 247.384 262.059 1.00 0.00 C +ATOM 58 CA GLN A 58 241.738 247.628 262.034 1.00 0.00 C +ATOM 59 CA ASP A 59 239.235 247.168 259.198 1.00 0.00 C +ATOM 60 CA PRO A 60 236.763 244.274 259.359 1.00 0.00 C +ATOM 61 CA ASP A 61 237.847 240.919 257.915 1.00 0.00 C +ATOM 62 CA ASN A 62 236.620 239.181 254.754 1.00 0.00 C +ATOM 63 CA THR A 63 234.326 237.631 252.137 1.00 0.00 C +ATOM 64 CA ASP A 64 234.029 237.078 248.379 1.00 0.00 C +ATOM 65 CA ASP A 65 233.459 238.500 244.891 1.00 0.00 C +ATOM 66 CA ASN A 66 231.118 240.545 242.688 1.00 0.00 C +ATOM 67 CA GLY A 67 229.931 242.918 239.953 1.00 0.00 C +ATOM 68 CA PRO A 68 229.895 246.098 237.855 1.00 0.00 C +ATOM 69 CA GLN A 69 226.830 245.775 235.615 1.00 0.00 C +ATOM 70 CA ASP A 70 223.685 246.892 233.777 1.00 0.00 C +ATOM 71 CA PRO A 71 222.072 244.122 231.718 1.00 0.00 C +ATOM 72 CA ASP A 72 221.282 245.413 228.221 1.00 0.00 C +ATOM 73 CA ASN A 73 219.810 248.892 228.713 1.00 0.00 C +ATOM 74 CA THR A 74 221.177 251.317 226.112 1.00 0.00 C +ATOM 75 CA ASP A 75 224.783 251.629 224.920 1.00 0.00 C +ATOM 76 CA ASP A 76 227.052 254.586 224.129 1.00 0.00 C +ATOM 77 CA ASN A 77 229.242 254.068 221.054 1.00 0.00 C +ATOM 78 CA GLY A 78 231.844 251.297 221.308 1.00 0.00 C +ATOM 79 CA PRO A 79 235.120 250.310 222.983 1.00 0.00 C +ATOM 80 CA HIS A 80 236.111 246.710 223.741 1.00 0.00 C +ATOM 81 CA ASP A 81 233.454 245.309 226.084 1.00 0.00 C +ATOM 82 CA PRO A 82 234.046 245.512 229.842 1.00 0.00 C +ATOM 83 CA LEU A 83 235.256 248.169 232.290 1.00 0.00 C +ATOM 84 CA PRO A 84 236.566 251.668 233.033 1.00 0.00 C +ATOM 85 CA HIS A 85 237.363 255.325 232.320 1.00 0.00 C +ATOM 86 CA ASN A 86 239.236 256.906 235.237 1.00 0.00 C +ATOM 87 CA PRO A 87 241.057 260.239 235.535 1.00 0.00 C +ATOM 88 CA SER A 88 242.633 261.927 232.505 1.00 0.00 C +ATOM 89 CA ASP A 89 245.355 259.496 231.413 1.00 0.00 C +ATOM 90 CA SER A 90 247.134 257.671 234.246 1.00 0.00 C +ATOM 91 CA ALA A 91 248.276 256.371 237.640 1.00 0.00 C +ATOM 92 CA GLY A 92 246.828 253.387 239.516 1.00 0.00 C +ATOM 93 CA ASN A 93 243.149 252.829 238.699 1.00 0.00 C +ATOM 94 CA ASP A 94 241.224 255.402 240.747 1.00 0.00 C +ATOM 95 CA GLY A 95 240.748 258.630 242.713 1.00 0.00 C +ATOM 96 CA GLY A 96 239.131 261.987 241.920 1.00 0.00 C +ATOM 97 CA PRO A 97 240.809 265.366 242.452 1.00 0.00 C +ATOM 98 CA PRO A 98 241.197 266.196 246.150 1.00 0.00 C +ATOM 99 CA GLU A 99 239.805 264.716 249.373 1.00 0.00 C +ATOM 100 CA LEU A 100 237.968 261.800 250.997 1.00 0.00 C +ATOM 101 CA THR A 101 237.515 259.224 248.227 1.00 0.00 C +ATOM 102 CA GLU A 102 234.466 260.118 246.123 1.00 0.00 C +ATOM 103 CA GLU A 103 231.525 262.187 247.383 1.00 0.00 C +ATOM 104 CA VAL A 104 229.346 265.310 247.505 1.00 0.00 C +ATOM 105 CA GLU A 105 230.946 267.860 249.840 1.00 0.00 C +ATOM 106 CA ASN A 106 231.581 271.477 250.857 1.00 0.00 C +ATOM 107 CA LYS A 107 233.841 274.373 249.849 1.00 0.00 C +ATOM 108 CA GLY A 108 235.800 275.928 252.724 1.00 0.00 C +ATOM 109 CA GLY A 109 234.079 278.048 255.380 1.00 0.00 C +ATOM 110 CA ASP A 110 230.272 278.198 255.432 1.00 0.00 C +ATOM 111 CA ARG A 111 228.456 279.734 258.409 1.00 0.00 C +ATOM 112 CA GLY A 112 227.781 283.462 258.811 1.00 0.00 C +ATOM 113 CA PRO A 113 227.850 286.264 256.231 1.00 0.00 C +ATOM 114 CA PRO A 114 224.565 288.192 256.143 1.00 0.00 C +ATOM 115 CA SER A 115 221.112 286.668 255.619 1.00 0.00 C +ATOM 116 CA MET A 116 220.558 282.952 256.251 1.00 0.00 C +ATOM 117 CA THR A 117 220.923 280.499 259.143 1.00 0.00 C +ATOM 118 CA ASP A 118 217.865 279.654 261.252 1.00 0.00 C +ATOM 119 CA GLY A 119 216.161 278.407 264.424 1.00 0.00 C +ATOM 120 CA GLY A 120 212.976 276.710 263.201 1.00 0.00 C +ATOM 121 CA GLY A 121 211.874 277.917 259.759 1.00 0.00 C +ATOM 122 CA GLY A 122 210.678 280.948 257.785 1.00 0.00 C +ATOM 123 CA HIS A 123 210.824 282.195 254.188 1.00 0.00 C +ATOM 124 CA SER A 124 209.959 285.402 252.320 1.00 0.00 C +ATOM 125 CA HIS A 125 211.292 288.708 253.665 1.00 0.00 C +ATOM 126 CA ASP A 126 208.462 291.203 253.135 1.00 0.00 C +ATOM 127 CA SER A 127 209.100 294.959 253.201 1.00 0.00 C +ATOM 128 CA GLY A 128 211.110 296.418 250.312 1.00 0.00 C +ATOM 129 CA ARG A 129 209.657 299.893 249.735 1.00 0.00 C +ATOM 130 CA GLY A 130 209.901 303.545 250.793 1.00 0.00 C +ATOM 131 CA GLY A 131 212.017 306.685 251.214 1.00 0.00 C +ATOM 132 CA CYS A 132 215.697 307.583 250.798 1.00 0.00 C +ATOM 133 CA ASP A 133 219.190 308.399 249.515 1.00 0.00 C +ATOM 134 CA PRO A 134 222.061 309.471 247.252 1.00 0.00 C +ATOM 135 CA HIS A 135 223.874 312.091 245.162 1.00 0.00 C +ATOM 136 CA LEU A 136 223.071 315.527 243.726 1.00 0.00 C +ATOM 137 CA PRO A 137 219.910 317.569 243.130 1.00 0.00 C +ATOM 138 CA THR A 138 218.597 316.490 239.720 1.00 0.00 C +ATOM 139 CA LEU A 139 218.130 312.709 239.697 1.00 0.00 C +ATOM 140 CA LEU A 140 215.650 309.817 239.758 1.00 0.00 C +TER 141 LEU A 140 +END diff --git a/Viruses/Q1EH28/Q1EH28.dcd b/Viruses/Q1EH28/Q1EH28.dcd new file mode 100644 index 0000000000000000000000000000000000000000..bbfc1bed916f8c5e7bcae6cbc75d9395021d1eed --- /dev/null +++ b/Viruses/Q1EH28/Q1EH28.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3b3ceb0b8b7d89d81cbf5c375d45f04a6077b2d3862efa2c512738d261e0447c +size 13640276 diff --git a/Viruses/Q1EH28/top.pdb b/Viruses/Q1EH28/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e02b56200120be18d94b69908a5f946f779ccdc2 --- /dev/null +++ b/Viruses/Q1EH28/top.pdb @@ -0,0 +1,111 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ASN A 1 277.571 229.286 251.394 1.00 0.00 C +ATOM 2 CA LEU A 2 278.278 230.100 255.048 1.00 0.00 C +ATOM 3 CA GLY A 3 274.907 230.742 256.704 1.00 0.00 C +ATOM 4 CA ALA A 4 272.135 233.316 256.251 1.00 0.00 C +ATOM 5 CA PRO A 5 270.631 232.938 252.771 1.00 0.00 C +ATOM 6 CA GLY A 6 272.909 234.687 250.267 1.00 0.00 C +ATOM 7 CA GLY A 7 274.930 233.093 247.458 1.00 0.00 C +ATOM 8 CA GLY A 8 274.959 230.325 244.841 1.00 0.00 C +ATOM 9 CA PRO A 9 272.359 228.506 242.732 1.00 0.00 C +ATOM 10 CA ASP A 10 269.820 231.177 241.764 1.00 0.00 C +ATOM 11 CA ASN A 11 266.657 232.234 243.605 1.00 0.00 C +ATOM 12 CA GLY A 12 266.248 232.416 247.389 1.00 0.00 C +ATOM 13 CA PRO A 13 266.450 235.987 248.702 1.00 0.00 C +ATOM 14 CA GLN A 14 264.981 239.406 249.520 1.00 0.00 C +ATOM 15 CA ASP A 15 265.991 242.611 247.725 1.00 0.00 C +ATOM 16 CA PRO A 16 269.137 243.906 249.441 1.00 0.00 C +ATOM 17 CA ASP A 17 268.521 246.791 251.851 1.00 0.00 C +ATOM 18 CA ASN A 18 264.911 247.805 251.176 1.00 0.00 C +ATOM 19 CA THR A 19 261.751 247.986 249.056 1.00 0.00 C +ATOM 20 CA ASP A 20 258.963 249.760 247.159 1.00 0.00 C +ATOM 21 CA ASP A 21 258.743 253.405 246.071 1.00 0.00 C +ATOM 22 CA ASN A 22 258.147 257.127 246.623 1.00 0.00 C +ATOM 23 CA GLY A 23 260.856 258.986 244.694 1.00 0.00 C +ATOM 24 CA PRO A 24 263.275 259.899 241.896 1.00 0.00 C +ATOM 25 CA GLN A 25 266.408 261.071 243.722 1.00 0.00 C +ATOM 26 CA GLY A 26 268.879 262.162 246.409 1.00 0.00 C +ATOM 27 CA PRO A 27 270.178 261.559 249.939 1.00 0.00 C +ATOM 28 CA ASP A 28 271.000 264.051 252.701 1.00 0.00 C +ATOM 29 CA ASN A 29 270.848 267.180 254.871 1.00 0.00 C +ATOM 30 CA THR A 30 269.179 270.605 254.892 1.00 0.00 C +ATOM 31 CA ASP A 31 267.194 272.343 257.640 1.00 0.00 C +ATOM 32 CA ASP A 32 264.538 274.975 258.371 1.00 0.00 C +ATOM 33 CA ASN A 33 260.798 275.120 259.084 1.00 0.00 C +ATOM 34 CA GLY A 34 259.092 273.039 261.782 1.00 0.00 C +ATOM 35 CA PRO A 35 260.279 272.036 265.260 1.00 0.00 C +ATOM 36 CA GLN A 36 260.404 268.951 267.492 1.00 0.00 C +ATOM 37 CA GLY A 37 261.133 265.819 265.448 1.00 0.00 C +ATOM 38 CA PRO A 38 258.866 262.807 266.000 1.00 0.00 C +ATOM 39 CA ASP A 39 255.944 262.080 263.665 1.00 0.00 C +ATOM 40 CA ASN A 40 254.167 259.005 262.285 1.00 0.00 C +ATOM 41 CA THR A 41 250.749 258.751 260.622 1.00 0.00 C +ATOM 42 CA ASP A 42 247.237 257.714 261.673 1.00 0.00 C +ATOM 43 CA ASP A 43 246.494 254.155 260.535 1.00 0.00 C +ATOM 44 CA ASN A 44 244.408 252.696 257.700 1.00 0.00 C +ATOM 45 CA GLY A 45 242.768 252.711 254.261 1.00 0.00 C +ATOM 46 CA PRO A 46 245.426 253.738 251.732 1.00 0.00 C +ATOM 47 CA HIS A 47 248.945 254.698 250.635 1.00 0.00 C +ATOM 48 CA ASP A 48 252.241 253.384 249.245 1.00 0.00 C +ATOM 49 CA PRO A 49 251.771 252.735 245.520 1.00 0.00 C +ATOM 50 CA LEU A 50 253.883 250.229 243.576 1.00 0.00 C +ATOM 51 CA PRO A 51 255.210 250.788 240.049 1.00 0.00 C +ATOM 52 CA HIS A 52 256.241 249.099 236.793 1.00 0.00 C +ATOM 53 CA ASN A 53 259.182 246.688 237.026 1.00 0.00 C +ATOM 54 CA PRO A 54 259.622 245.773 240.699 1.00 0.00 C +ATOM 55 CA SER A 55 256.824 243.442 241.818 1.00 0.00 C +ATOM 56 CA ASP A 56 255.738 240.406 239.788 1.00 0.00 C +ATOM 57 CA SER A 57 257.827 239.644 236.695 1.00 0.00 C +ATOM 58 CA ALA A 58 257.578 236.573 234.454 1.00 0.00 C +ATOM 59 CA GLY A 59 254.992 233.825 233.924 1.00 0.00 C +ATOM 60 CA ASN A 60 251.581 234.321 235.547 1.00 0.00 C +ATOM 61 CA ASP A 61 251.126 235.812 239.023 1.00 0.00 C +ATOM 62 CA GLY A 62 247.953 237.042 240.736 1.00 0.00 C +ATOM 63 CA GLY A 63 246.087 236.798 244.049 1.00 0.00 C +ATOM 64 CA PRO A 64 246.041 240.219 245.726 1.00 0.00 C +ATOM 65 CA PRO A 65 243.528 243.037 246.233 1.00 0.00 C +ATOM 66 CA GLU A 66 240.330 245.013 246.852 1.00 0.00 C +ATOM 67 CA LEU A 67 238.689 246.312 250.036 1.00 0.00 C +ATOM 68 CA THR A 68 237.258 243.296 251.873 1.00 0.00 C +ATOM 69 CA GLU A 69 238.428 243.353 255.499 1.00 0.00 C +ATOM 70 CA GLU A 70 240.366 245.598 257.890 1.00 0.00 C +ATOM 71 CA VAL A 71 240.815 245.610 261.673 1.00 0.00 C +ATOM 72 CA GLU A 72 243.056 246.192 264.700 1.00 0.00 C +ATOM 73 CA ASN A 73 241.809 246.855 268.239 1.00 0.00 C +ATOM 74 CA LYS A 74 239.090 249.482 268.707 1.00 0.00 C +ATOM 75 CA GLY A 75 236.840 251.123 266.107 1.00 0.00 C +ATOM 76 CA GLY A 76 233.355 249.583 266.050 1.00 0.00 C +ATOM 77 CA ASP A 77 231.698 249.882 262.632 1.00 0.00 C +ATOM 78 CA ARG A 78 227.935 250.464 262.500 1.00 0.00 C +ATOM 79 CA GLY A 79 224.177 250.557 263.121 1.00 0.00 C +ATOM 80 CA PRO A 80 221.169 252.656 262.093 1.00 0.00 C +ATOM 81 CA PRO A 81 218.708 254.785 264.074 1.00 0.00 C +ATOM 82 CA SER A 82 214.909 255.075 264.136 1.00 0.00 C +ATOM 83 CA MET A 83 213.575 251.680 263.034 1.00 0.00 C +ATOM 84 CA THR A 84 214.389 250.005 259.711 1.00 0.00 C +ATOM 85 CA ASP A 85 217.696 248.515 258.543 1.00 0.00 C +ATOM 86 CA GLY A 86 220.183 248.941 255.689 1.00 0.00 C +ATOM 87 CA GLY A 87 222.501 251.952 255.969 1.00 0.00 C +ATOM 88 CA GLY A 88 226.280 252.270 256.340 1.00 0.00 C +ATOM 89 CA GLY A 89 229.725 250.778 255.694 1.00 0.00 C +ATOM 90 CA HIS A 90 232.168 252.731 253.518 1.00 0.00 C +ATOM 91 CA SER A 91 232.370 254.466 250.132 1.00 0.00 C +ATOM 92 CA HIS A 92 231.640 254.115 246.409 1.00 0.00 C +ATOM 93 CA ASP A 93 230.616 257.469 244.921 1.00 0.00 C +ATOM 94 CA SER A 94 229.581 257.173 241.266 1.00 0.00 C +ATOM 95 CA GLY A 95 229.700 254.358 238.701 1.00 0.00 C +ATOM 96 CA ARG A 96 233.018 252.578 239.286 1.00 0.00 C +ATOM 97 CA GLY A 97 234.564 251.476 235.982 1.00 0.00 C +ATOM 98 CA GLY A 98 234.868 253.642 232.863 1.00 0.00 C +ATOM 99 CA GLY A 99 236.898 256.822 232.333 1.00 0.00 C +ATOM 100 CA ASP A 100 239.916 259.132 232.061 1.00 0.00 C +ATOM 101 CA PRO A 101 243.100 261.201 231.750 1.00 0.00 C +ATOM 102 CA HIS A 102 246.445 259.446 232.247 1.00 0.00 C +ATOM 103 CA LEU A 103 247.092 256.698 234.806 1.00 0.00 C +ATOM 104 CA PRO A 104 248.490 253.934 237.024 1.00 0.00 C +ATOM 105 CA THR A 105 248.436 250.138 237.341 1.00 0.00 C +ATOM 106 CA LEU A 106 250.051 248.391 234.365 1.00 0.00 C +ATOM 107 CA LEU A 107 252.573 246.680 232.079 1.00 0.00 C +TER 108 LEU A 107 +END diff --git a/Viruses/Q1EH30/Q1EH30.dcd b/Viruses/Q1EH30/Q1EH30.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f44eabf2e067e2406b771f9d66e0c0694ed0e4f6 --- /dev/null +++ b/Viruses/Q1EH30/Q1EH30.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7029f6f8bb173ebbdba2abcde003541079f42fd6b11f34574d0695cd270d3837 +size 13640276 diff --git a/Viruses/Q1EH30/top.pdb b/Viruses/Q1EH30/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0d0fc21992320dffb113a3c652142f778c34596d --- /dev/null +++ b/Viruses/Q1EH30/top.pdb @@ -0,0 +1,111 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ASN A 1 257.168 223.577 254.008 1.00 0.00 C +ATOM 2 CA LEU A 2 257.204 227.251 255.016 1.00 0.00 C +ATOM 3 CA GLY A 3 256.860 230.238 252.675 1.00 0.00 C +ATOM 4 CA ALA A 4 259.571 232.090 250.742 1.00 0.00 C +ATOM 5 CA PRO A 5 260.014 235.676 249.532 1.00 0.00 C +ATOM 6 CA GLY A 6 257.638 237.208 246.979 1.00 0.00 C +ATOM 7 CA GLY A 7 257.482 240.979 247.498 1.00 0.00 C +ATOM 8 CA GLY A 8 256.152 243.878 249.583 1.00 0.00 C +ATOM 9 CA PRO A 9 255.239 246.490 252.202 1.00 0.00 C +ATOM 10 CA ASN A 10 257.205 248.892 254.411 1.00 0.00 C +ATOM 11 CA ASN A 11 257.086 252.051 256.538 1.00 0.00 C +ATOM 12 CA GLY A 12 255.408 252.966 259.834 1.00 0.00 C +ATOM 13 CA PRO A 13 253.683 249.787 261.031 1.00 0.00 C +ATOM 14 CA GLN A 14 252.015 246.602 262.291 1.00 0.00 C +ATOM 15 CA ASP A 15 253.731 243.615 260.664 1.00 0.00 C +ATOM 16 CA PRO A 16 252.291 241.284 258.017 1.00 0.00 C +ATOM 17 CA ASP A 17 248.800 239.769 257.820 1.00 0.00 C +ATOM 18 CA ASN A 18 245.309 241.169 257.210 1.00 0.00 C +ATOM 19 CA THR A 19 243.470 244.253 258.483 1.00 0.00 C +ATOM 20 CA ASN A 20 241.261 245.464 255.625 1.00 0.00 C +ATOM 21 CA ASP A 21 239.310 248.729 255.407 1.00 0.00 C +ATOM 22 CA ASN A 22 236.925 251.381 256.746 1.00 0.00 C +ATOM 23 CA GLY A 23 233.930 250.382 258.878 1.00 0.00 C +ATOM 24 CA PRO A 24 231.835 252.950 260.758 1.00 0.00 C +ATOM 25 CA GLN A 25 229.414 255.781 259.958 1.00 0.00 C +ATOM 26 CA ASP A 26 225.786 256.904 260.273 1.00 0.00 C +ATOM 27 CA PRO A 27 223.161 254.180 259.823 1.00 0.00 C +ATOM 28 CA ASP A 28 221.401 254.724 256.488 1.00 0.00 C +ATOM 29 CA ASN A 29 219.156 252.263 254.639 1.00 0.00 C +ATOM 30 CA THR A 30 218.489 249.952 251.684 1.00 0.00 C +ATOM 31 CA ASP A 31 221.004 247.772 249.830 1.00 0.00 C +ATOM 32 CA ASP A 32 224.022 246.408 247.947 1.00 0.00 C +ATOM 33 CA ASN A 33 226.710 243.839 248.778 1.00 0.00 C +ATOM 34 CA GLY A 34 228.024 240.267 248.617 1.00 0.00 C +ATOM 35 CA PRO A 35 228.321 238.478 245.266 1.00 0.00 C +ATOM 36 CA GLN A 36 231.457 239.742 243.509 1.00 0.00 C +ATOM 37 CA ASP A 37 235.016 241.025 243.959 1.00 0.00 C +ATOM 38 CA PRO A 38 238.105 238.919 244.693 1.00 0.00 C +ATOM 39 CA ASP A 39 240.870 239.342 247.280 1.00 0.00 C +ATOM 40 CA ASN A 40 242.315 242.741 248.215 1.00 0.00 C +ATOM 41 CA THR A 41 244.194 246.008 248.773 1.00 0.00 C +ATOM 42 CA ASP A 42 242.519 249.409 248.399 1.00 0.00 C +ATOM 43 CA ASP A 43 238.858 248.899 247.473 1.00 0.00 C +ATOM 44 CA ASN A 44 236.027 251.086 246.162 1.00 0.00 C +ATOM 45 CA GLY A 45 235.967 253.678 243.371 1.00 0.00 C +ATOM 46 CA PRO A 46 234.180 254.631 240.144 1.00 0.00 C +ATOM 47 CA HIS A 47 230.734 253.254 239.282 1.00 0.00 C +ATOM 48 CA ASP A 48 229.313 253.781 235.786 1.00 0.00 C +ATOM 49 CA PRO A 49 226.212 251.873 234.664 1.00 0.00 C +ATOM 50 CA GLN A 50 226.599 250.475 231.141 1.00 0.00 C +ATOM 51 CA PRO A 51 229.148 248.434 229.179 1.00 0.00 C +ATOM 52 CA HIS A 52 230.764 245.236 230.473 1.00 0.00 C +ATOM 53 CA ASN A 53 233.985 243.653 231.752 1.00 0.00 C +ATOM 54 CA PRO A 54 234.898 244.285 235.397 1.00 0.00 C +ATOM 55 CA SER A 55 237.881 242.433 236.876 1.00 0.00 C +ATOM 56 CA ASP A 56 241.670 242.837 236.890 1.00 0.00 C +ATOM 57 CA PRO A 57 244.822 244.860 236.187 1.00 0.00 C +ATOM 58 CA ALA A 58 248.036 242.933 236.874 1.00 0.00 C +ATOM 59 CA GLY A 59 248.590 240.829 240.002 1.00 0.00 C +ATOM 60 CA ASN A 60 249.320 242.397 243.396 1.00 0.00 C +ATOM 61 CA ASP A 61 248.958 241.824 247.146 1.00 0.00 C +ATOM 62 CA GLY A 62 249.616 243.764 250.358 1.00 0.00 C +ATOM 63 CA GLY A 63 248.627 246.372 252.953 1.00 0.00 C +ATOM 64 CA PRO A 64 250.262 248.935 255.251 1.00 0.00 C +ATOM 65 CA PRO A 65 251.582 251.942 253.319 1.00 0.00 C +ATOM 66 CA THR A 66 250.560 255.590 252.914 1.00 0.00 C +ATOM 67 CA LEU A 67 246.964 256.535 252.083 1.00 0.00 C +ATOM 68 CA THR A 68 243.476 255.356 253.062 1.00 0.00 C +ATOM 69 CA GLU A 69 240.121 256.870 254.047 1.00 0.00 C +ATOM 70 CA GLU A 70 238.378 260.241 253.710 1.00 0.00 C +ATOM 71 CA VAL A 71 239.221 263.881 254.457 1.00 0.00 C +ATOM 72 CA GLU A 72 239.023 267.670 254.804 1.00 0.00 C +ATOM 73 CA ASN A 73 242.476 268.806 255.946 1.00 0.00 C +ATOM 74 CA LYS A 74 245.053 266.089 256.647 1.00 0.00 C +ATOM 75 CA GLN A 75 247.897 266.802 259.080 1.00 0.00 C +ATOM 76 CA GLY A 76 251.669 266.269 259.101 1.00 0.00 C +ATOM 77 CA ASP A 77 254.663 268.026 260.672 1.00 0.00 C +ATOM 78 CA GLN A 78 256.776 265.812 262.941 1.00 0.00 C +ATOM 79 CA GLY A 79 254.527 265.110 265.935 1.00 0.00 C +ATOM 80 CA PRO A 80 254.456 262.434 268.647 1.00 0.00 C +ATOM 81 CA PRO A 81 257.957 260.932 268.604 1.00 0.00 C +ATOM 82 CA PRO A 82 260.619 258.610 270.033 1.00 0.00 C +ATOM 83 CA MET A 83 264.143 258.009 268.714 1.00 0.00 C +ATOM 84 CA THR A 84 267.864 257.502 268.076 1.00 0.00 C +ATOM 85 CA ASP A 85 270.826 258.491 265.893 1.00 0.00 C +ATOM 86 CA GLY A 86 273.022 256.709 263.340 1.00 0.00 C +ATOM 87 CA GLY A 87 275.489 253.955 262.421 1.00 0.00 C +ATOM 88 CA GLY A 88 276.651 254.461 258.828 1.00 0.00 C +ATOM 89 CA GLY A 89 277.191 258.168 258.132 1.00 0.00 C +ATOM 90 CA HIS A 90 277.974 260.714 255.408 1.00 0.00 C +ATOM 91 CA SER A 91 280.660 262.022 253.043 1.00 0.00 C +ATOM 92 CA HIS A 92 279.291 264.249 250.272 1.00 0.00 C +ATOM 93 CA ASP A 93 277.009 264.310 247.221 1.00 0.00 C +ATOM 94 CA SER A 94 276.209 261.405 244.890 1.00 0.00 C +ATOM 95 CA GLY A 95 274.790 257.878 245.142 1.00 0.00 C +ATOM 96 CA ASN A 96 276.514 254.780 246.536 1.00 0.00 C +ATOM 97 CA GLY A 97 276.360 251.013 247.088 1.00 0.00 C +ATOM 98 CA GLY A 98 277.674 248.824 244.260 1.00 0.00 C +ATOM 99 CA GLY A 99 279.290 247.815 240.961 1.00 0.00 C +ATOM 100 CA ASP A 100 280.326 245.236 238.355 1.00 0.00 C +ATOM 101 CA PRO A 101 278.855 242.389 236.293 1.00 0.00 C +ATOM 102 CA PRO A 102 275.224 242.571 235.153 1.00 0.00 C +ATOM 103 CA LEU A 103 273.786 242.978 231.648 1.00 0.00 C +ATOM 104 CA PRO A 104 270.823 245.374 231.647 1.00 0.00 C +ATOM 105 CA THR A 105 269.387 246.335 228.252 1.00 0.00 C +ATOM 106 CA LEU A 106 265.837 247.376 227.340 1.00 0.00 C +ATOM 107 CA LEU A 107 265.369 249.559 224.253 1.00 0.00 C +TER 108 LEU A 107 +END diff --git a/Viruses/Q1EH36/Q1EH36.dcd b/Viruses/Q1EH36/Q1EH36.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a166e50afef29fc5514e3e02e4197c41ccc8e5a1 --- /dev/null +++ b/Viruses/Q1EH36/Q1EH36.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e9956935b230b93d341119048328f290359b4f39741bc8a29eb65b904c5ee248 +size 13640276 diff --git a/Viruses/Q1EH36/top.pdb b/Viruses/Q1EH36/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4ca2433b0c3a37e5cbd2ab0f5cafedbe9ee27e6b --- /dev/null +++ b/Viruses/Q1EH36/top.pdb @@ -0,0 +1,111 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ASN A 1 276.557 232.843 271.398 1.00 0.00 C +ATOM 2 CA LEU A 2 275.024 236.088 270.118 1.00 0.00 C +ATOM 3 CA GLY A 3 273.199 239.331 270.934 1.00 0.00 C +ATOM 4 CA ALA A 4 270.369 240.574 273.163 1.00 0.00 C +ATOM 5 CA HIS A 5 268.966 244.111 273.357 1.00 0.00 C +ATOM 6 CA GLY A 6 271.595 246.866 273.485 1.00 0.00 C +ATOM 7 CA GLY A 7 271.285 249.687 270.943 1.00 0.00 C +ATOM 8 CA GLY A 8 269.016 252.487 269.707 1.00 0.00 C +ATOM 9 CA PRO A 9 266.804 250.913 267.033 1.00 0.00 C +ATOM 10 CA ASP A 10 263.089 251.744 266.857 1.00 0.00 C +ATOM 11 CA ASN A 11 259.747 252.684 265.288 1.00 0.00 C +ATOM 12 CA ALA A 12 258.900 251.648 261.721 1.00 0.00 C +ATOM 13 CA PRO A 13 259.292 253.812 258.609 1.00 0.00 C +ATOM 14 CA HIS A 14 261.467 256.779 259.599 1.00 0.00 C +ATOM 15 CA ASP A 15 262.644 260.210 258.432 1.00 0.00 C +ATOM 16 CA PRO A 16 262.442 261.065 254.725 1.00 0.00 C +ATOM 17 CA ASP A 17 262.376 263.755 252.028 1.00 0.00 C +ATOM 18 CA ASN A 18 263.789 267.156 253.002 1.00 0.00 C +ATOM 19 CA THR A 19 263.401 269.409 256.050 1.00 0.00 C +ATOM 20 CA ASP A 20 262.456 270.147 259.667 1.00 0.00 C +ATOM 21 CA ASP A 21 261.846 273.732 260.804 1.00 0.00 C +ATOM 22 CA ASN A 22 259.244 276.228 259.573 1.00 0.00 C +ATOM 23 CA GLY A 23 258.729 277.425 255.993 1.00 0.00 C +ATOM 24 CA PRO A 24 256.112 277.503 253.224 1.00 0.00 C +ATOM 25 CA GLN A 25 254.081 278.215 250.081 1.00 0.00 C +ATOM 26 CA ASP A 26 251.092 277.881 247.742 1.00 0.00 C +ATOM 27 CA PRO A 27 247.693 278.759 246.262 1.00 0.00 C +ATOM 28 CA ASP A 28 245.040 276.192 247.205 1.00 0.00 C +ATOM 29 CA ASN A 29 243.185 273.241 245.665 1.00 0.00 C +ATOM 30 CA THR A 30 242.759 273.169 241.880 1.00 0.00 C +ATOM 31 CA ASP A 31 243.865 273.966 238.322 1.00 0.00 C +ATOM 32 CA ASP A 32 243.156 272.435 234.906 1.00 0.00 C +ATOM 33 CA ASN A 33 240.437 271.138 232.573 1.00 0.00 C +ATOM 34 CA GLY A 34 239.253 273.861 230.186 1.00 0.00 C +ATOM 35 CA PRO A 35 241.852 276.609 229.731 1.00 0.00 C +ATOM 36 CA GLN A 36 242.419 277.133 226.000 1.00 0.00 C +ATOM 37 CA ASP A 37 245.668 279.099 225.686 1.00 0.00 C +ATOM 38 CA PRO A 38 247.643 278.311 222.525 1.00 0.00 C +ATOM 39 CA ASP A 39 246.080 276.483 219.570 1.00 0.00 C +ATOM 40 CA ASN A 40 247.241 272.873 219.937 1.00 0.00 C +ATOM 41 CA THR A 41 244.625 270.204 219.195 1.00 0.00 C +ATOM 42 CA ASP A 42 240.956 271.053 218.616 1.00 0.00 C +ATOM 43 CA ASP A 43 238.199 269.409 220.668 1.00 0.00 C +ATOM 44 CA ASN A 44 235.899 266.616 221.862 1.00 0.00 C +ATOM 45 CA GLY A 45 236.437 263.562 219.649 1.00 0.00 C +ATOM 46 CA PRO A 46 235.435 263.019 216.014 1.00 0.00 C +ATOM 47 CA HIS A 47 235.855 261.871 212.405 1.00 0.00 C +ATOM 48 CA ASP A 48 236.000 259.704 209.275 1.00 0.00 C +ATOM 49 CA PRO A 49 239.604 259.115 208.191 1.00 0.00 C +ATOM 50 CA LEU A 50 243.256 258.117 208.618 1.00 0.00 C +ATOM 51 CA PRO A 51 245.272 257.343 211.757 1.00 0.00 C +ATOM 52 CA HIS A 52 243.700 258.490 215.033 1.00 0.00 C +ATOM 53 CA ASN A 53 245.476 259.035 218.359 1.00 0.00 C +ATOM 54 CA PRO A 54 247.975 259.821 221.125 1.00 0.00 C +ATOM 55 CA SER A 55 246.961 260.778 224.671 1.00 0.00 C +ATOM 56 CA ASP A 56 249.217 259.601 227.506 1.00 0.00 C +ATOM 57 CA SER A 57 250.148 262.672 229.560 1.00 0.00 C +ATOM 58 CA ALA A 58 250.727 261.959 233.257 1.00 0.00 C +ATOM 59 CA GLY A 59 252.183 264.115 236.041 1.00 0.00 C +ATOM 60 CA ASN A 60 253.577 262.593 239.244 1.00 0.00 C +ATOM 61 CA TYR A 61 256.376 262.235 241.804 1.00 0.00 C +ATOM 62 CA GLY A 62 255.282 261.801 245.427 1.00 0.00 C +ATOM 63 CA GLY A 63 253.235 263.520 248.143 1.00 0.00 C +ATOM 64 CA PRO A 64 255.722 264.987 250.628 1.00 0.00 C +ATOM 65 CA PRO A 65 256.043 262.579 253.564 1.00 0.00 C +ATOM 66 CA GLN A 66 256.333 261.850 257.292 1.00 0.00 C +ATOM 67 CA LEU A 67 255.760 262.746 260.950 1.00 0.00 C +ATOM 68 CA THR A 68 254.535 259.766 262.985 1.00 0.00 C +ATOM 69 CA GLU A 69 253.061 257.124 265.300 1.00 0.00 C +ATOM 70 CA GLU A 70 249.704 255.439 264.662 1.00 0.00 C +ATOM 71 CA VAL A 71 246.674 253.592 263.275 1.00 0.00 C +ATOM 72 CA GLU A 72 246.680 250.074 261.813 1.00 0.00 C +ATOM 73 CA ASN A 73 244.549 248.357 259.161 1.00 0.00 C +ATOM 74 CA LYS A 74 242.498 245.349 260.285 1.00 0.00 C +ATOM 75 CA GLN A 75 243.485 241.705 259.774 1.00 0.00 C +ATOM 76 CA GLY A 76 245.642 240.381 262.622 1.00 0.00 C +ATOM 77 CA ASP A 77 249.134 241.904 262.644 1.00 0.00 C +ATOM 78 CA GLN A 78 251.176 241.062 265.749 1.00 0.00 C +ATOM 79 CA GLY A 79 252.808 238.249 267.734 1.00 0.00 C +ATOM 80 CA PRO A 80 252.015 234.748 269.012 1.00 0.00 C +ATOM 81 CA PRO A 81 251.232 233.740 272.601 1.00 0.00 C +ATOM 82 CA PRO A 82 249.570 230.320 272.363 1.00 0.00 C +ATOM 83 CA MET A 83 249.445 228.992 275.932 1.00 0.00 C +ATOM 84 CA THR A 84 246.728 227.020 277.734 1.00 0.00 C +ATOM 85 CA ASP A 85 244.662 223.858 277.238 1.00 0.00 C +ATOM 86 CA GLY A 86 244.514 220.123 276.499 1.00 0.00 C +ATOM 87 CA GLY A 87 242.478 218.912 273.515 1.00 0.00 C +ATOM 88 CA ASP A 88 242.972 216.318 270.768 1.00 0.00 C +ATOM 89 CA GLY A 89 244.922 214.021 268.436 1.00 0.00 C +ATOM 90 CA HIS A 90 248.260 214.990 266.875 1.00 0.00 C +ATOM 91 CA SER A 91 249.856 214.392 263.468 1.00 0.00 C +ATOM 92 CA HIS A 92 248.993 214.761 259.775 1.00 0.00 C +ATOM 93 CA ASP A 93 247.519 211.653 258.136 1.00 0.00 C +ATOM 94 CA SER A 94 244.789 209.005 258.358 1.00 0.00 C +ATOM 95 CA GLY A 95 243.100 208.385 254.999 1.00 0.00 C +ATOM 96 CA HIS A 96 241.984 206.426 251.929 1.00 0.00 C +ATOM 97 CA GLY A 97 239.978 205.973 248.721 1.00 0.00 C +ATOM 98 CA GLY A 98 236.238 206.690 248.822 1.00 0.00 C +ATOM 99 CA ALA A 99 235.155 209.206 251.470 1.00 0.00 C +ATOM 100 CA ASP A 100 237.600 212.106 251.116 1.00 0.00 C +ATOM 101 CA PRO A 101 238.745 215.317 252.818 1.00 0.00 C +ATOM 102 CA HIS A 102 237.300 217.392 255.668 1.00 0.00 C +ATOM 103 CA LEU A 103 239.099 220.693 256.288 1.00 0.00 C +ATOM 104 CA PRO A 104 241.045 223.967 256.191 1.00 0.00 C +ATOM 105 CA THR A 105 242.623 227.129 257.615 1.00 0.00 C +ATOM 106 CA LEU A 106 243.178 227.496 261.366 1.00 0.00 C +ATOM 107 CA LEU A 107 245.987 229.013 263.446 1.00 0.00 C +TER 108 LEU A 107 +END diff --git a/Viruses/Q1EH45/Q1EH45.dcd b/Viruses/Q1EH45/Q1EH45.dcd new file mode 100644 index 0000000000000000000000000000000000000000..5548f28eeec1d6da7edb943fc95b67cb22e05b42 --- /dev/null +++ b/Viruses/Q1EH45/Q1EH45.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6b2fc90d610ae64ebaea1501d2b4a381550cff5cc6a4244e0b731b57d85da0d5 +size 16280276 diff --git a/Viruses/Q1EH45/top.pdb b/Viruses/Q1EH45/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3d1255b52d501b3cb723ff74d118158a0ef41cd6 --- /dev/null +++ b/Viruses/Q1EH45/top.pdb @@ -0,0 +1,133 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ASN A 1 194.254 287.356 267.415 1.00 0.00 C +ATOM 2 CA LEU A 2 191.822 288.580 270.080 1.00 0.00 C +ATOM 3 CA GLY A 3 190.114 291.947 269.568 1.00 0.00 C +ATOM 4 CA ALA A 4 187.221 293.997 270.963 1.00 0.00 C +ATOM 5 CA HIS A 5 185.247 293.512 274.185 1.00 0.00 C +ATOM 6 CA GLY A 6 183.276 290.875 276.103 1.00 0.00 C +ATOM 7 CA GLY A 7 180.547 288.237 276.436 1.00 0.00 C +ATOM 8 CA GLY A 8 178.355 286.154 278.753 1.00 0.00 C +ATOM 9 CA THR A 9 174.955 284.445 278.561 1.00 0.00 C +ATOM 10 CA ASP A 10 172.064 284.767 276.100 1.00 0.00 C +ATOM 11 CA SER A 11 168.643 284.952 274.434 1.00 0.00 C +ATOM 12 CA ASP A 12 166.554 281.877 275.269 1.00 0.00 C +ATOM 13 CA PRO A 13 166.053 278.101 275.355 1.00 0.00 C +ATOM 14 CA GLN A 14 166.502 275.608 278.200 1.00 0.00 C +ATOM 15 CA ASP A 15 169.938 273.978 278.435 1.00 0.00 C +ATOM 16 CA PRO A 16 173.427 275.219 279.329 1.00 0.00 C +ATOM 17 CA ASP A 17 175.461 278.317 280.212 1.00 0.00 C +ATOM 18 CA ASN A 18 178.794 279.167 278.574 1.00 0.00 C +ATOM 19 CA THR A 19 180.576 278.183 275.353 1.00 0.00 C +ATOM 20 CA ASP A 20 182.859 279.160 272.464 1.00 0.00 C +ATOM 21 CA ASP A 21 186.094 277.148 272.410 1.00 0.00 C +ATOM 22 CA ASN A 22 185.546 273.667 270.960 1.00 0.00 C +ATOM 23 CA GLY A 23 184.590 270.436 272.738 1.00 0.00 C +ATOM 24 CA PRO A 24 184.543 267.349 274.970 1.00 0.00 C +ATOM 25 CA GLN A 25 187.768 265.434 275.639 1.00 0.00 C +ATOM 26 CA ASP A 26 189.624 265.418 272.311 1.00 0.00 C +ATOM 27 CA PRO A 27 193.189 266.390 273.239 1.00 0.00 C +ATOM 28 CA ASP A 28 195.013 265.376 276.426 1.00 0.00 C +ATOM 29 CA ASN A 29 197.640 262.970 277.777 1.00 0.00 C +ATOM 30 CA THR A 30 201.306 263.874 277.268 1.00 0.00 C +ATOM 31 CA ASP A 31 202.189 264.866 273.697 1.00 0.00 C +ATOM 32 CA ASP A 32 203.154 268.112 271.952 1.00 0.00 C +ATOM 33 CA ASN A 33 205.166 268.275 268.720 1.00 0.00 C +ATOM 34 CA GLY A 34 208.149 270.312 267.509 1.00 0.00 C +ATOM 35 CA PRO A 35 210.736 271.808 265.145 1.00 0.00 C +ATOM 36 CA GLN A 36 211.907 274.173 262.398 1.00 0.00 C +ATOM 37 CA ASP A 37 214.606 276.013 260.436 1.00 0.00 C +ATOM 38 CA PRO A 38 218.385 275.570 260.627 1.00 0.00 C +ATOM 39 CA ASP A 39 222.089 274.758 260.261 1.00 0.00 C +ATOM 40 CA ASN A 40 223.116 271.183 261.089 1.00 0.00 C +ATOM 41 CA THR A 41 225.680 269.862 263.579 1.00 0.00 C +ATOM 42 CA ASP A 42 228.134 266.948 263.553 1.00 0.00 C +ATOM 43 CA ASP A 43 228.597 264.961 260.335 1.00 0.00 C +ATOM 44 CA ASN A 44 232.323 264.717 259.579 1.00 0.00 C +ATOM 45 CA GLY A 45 234.621 265.156 256.572 1.00 0.00 C +ATOM 46 CA PRO A 46 238.356 264.726 255.956 1.00 0.00 C +ATOM 47 CA GLN A 47 241.442 263.353 254.191 1.00 0.00 C +ATOM 48 CA ASP A 48 243.947 260.519 254.644 1.00 0.00 C +ATOM 49 CA PRO A 49 246.425 258.817 252.303 1.00 0.00 C +ATOM 50 CA ASP A 50 249.618 260.809 251.708 1.00 0.00 C +ATOM 51 CA ASN A 51 252.025 258.824 249.522 1.00 0.00 C +ATOM 52 CA THR A 52 253.454 257.094 246.443 1.00 0.00 C +ATOM 53 CA ASP A 53 255.778 254.297 245.304 1.00 0.00 C +ATOM 54 CA ASP A 54 259.359 254.933 244.171 1.00 0.00 C +ATOM 55 CA ASN A 55 261.034 258.115 245.432 1.00 0.00 C +ATOM 56 CA GLY A 56 260.686 258.625 249.191 1.00 0.00 C +ATOM 57 CA PRO A 57 258.964 256.135 251.505 1.00 0.00 C +ATOM 58 CA GLN A 58 259.062 254.501 254.945 1.00 0.00 C +ATOM 59 CA ASP A 59 260.967 253.284 258.012 1.00 0.00 C +ATOM 60 CA PRO A 60 262.566 250.487 260.046 1.00 0.00 C +ATOM 61 CA ASP A 61 265.269 248.765 262.107 1.00 0.00 C +ATOM 62 CA ASN A 62 266.456 246.031 264.481 1.00 0.00 C +ATOM 63 CA THR A 63 267.600 242.398 264.537 1.00 0.00 C +ATOM 64 CA ASP A 64 265.564 239.829 262.595 1.00 0.00 C +ATOM 65 CA ASP A 65 264.430 239.090 259.034 1.00 0.00 C +ATOM 66 CA ASN A 66 262.106 237.724 256.341 1.00 0.00 C +ATOM 67 CA GLY A 67 258.911 235.667 256.059 1.00 0.00 C +ATOM 68 CA PRO A 68 259.019 234.214 252.538 1.00 0.00 C +ATOM 69 CA HIS A 69 260.105 232.422 249.357 1.00 0.00 C +ATOM 70 CA ASP A 70 259.076 229.420 247.249 1.00 0.00 C +ATOM 71 CA PRO A 71 259.938 226.317 249.285 1.00 0.00 C +ATOM 72 CA LEU A 72 263.108 225.799 251.334 1.00 0.00 C +ATOM 73 CA PRO A 73 266.023 225.445 248.908 1.00 0.00 C +ATOM 74 CA HIS A 74 269.744 226.211 249.198 1.00 0.00 C +ATOM 75 CA ASN A 75 271.774 223.023 248.712 1.00 0.00 C +ATOM 76 CA PRO A 76 273.398 221.930 251.980 1.00 0.00 C +ATOM 77 CA SER A 77 272.657 220.839 255.555 1.00 0.00 C +ATOM 78 CA ASP A 78 273.111 217.113 256.209 1.00 0.00 C +ATOM 79 CA PHE A 79 275.903 214.815 255.010 1.00 0.00 C +ATOM 80 CA ALA A 80 277.126 213.267 251.750 1.00 0.00 C +ATOM 81 CA GLY A 81 280.000 210.768 251.628 1.00 0.00 C +ATOM 82 CA ASN A 82 283.331 209.329 250.468 1.00 0.00 C +ATOM 83 CA ASP A 83 285.302 211.973 248.561 1.00 0.00 C +ATOM 84 CA GLY A 84 284.053 215.369 247.367 1.00 0.00 C +ATOM 85 CA GLY A 85 281.015 216.153 245.204 1.00 0.00 C +ATOM 86 CA PRO A 86 281.609 218.894 242.626 1.00 0.00 C +ATOM 87 CA PRO A 87 284.798 220.971 242.432 1.00 0.00 C +ATOM 88 CA GLN A 88 286.395 220.465 239.010 1.00 0.00 C +ATOM 89 CA LEU A 89 289.019 220.010 236.286 1.00 0.00 C +ATOM 90 CA THR A 90 292.749 220.704 235.931 1.00 0.00 C +ATOM 91 CA GLU A 91 295.388 221.349 238.601 1.00 0.00 C +ATOM 92 CA GLU A 92 298.138 223.480 237.047 1.00 0.00 C +ATOM 93 CA VAL A 93 301.856 222.679 236.822 1.00 0.00 C +ATOM 94 CA GLU A 94 303.550 226.074 237.165 1.00 0.00 C +ATOM 95 CA ASN A 95 306.505 227.542 235.260 1.00 0.00 C +ATOM 96 CA LYS A 96 309.598 227.734 233.043 1.00 0.00 C +ATOM 97 CA GLN A 97 308.286 228.117 229.487 1.00 0.00 C +ATOM 98 CA GLY A 98 304.719 228.714 228.288 1.00 0.00 C +ATOM 99 CA ASP A 99 301.616 226.908 227.014 1.00 0.00 C +ATOM 100 CA GLN A 100 298.434 225.849 228.822 1.00 0.00 C +ATOM 101 CA GLY A 101 294.912 226.282 230.208 1.00 0.00 C +ATOM 102 CA PRO A 102 291.269 227.178 230.876 1.00 0.00 C +ATOM 103 CA PRO A 103 289.133 226.513 233.959 1.00 0.00 C +ATOM 104 CA PRO A 104 286.239 228.294 235.682 1.00 0.00 C +ATOM 105 CA MET A 105 285.132 231.089 238.024 1.00 0.00 C +ATOM 106 CA THR A 106 285.446 234.858 237.563 1.00 0.00 C +ATOM 107 CA ASP A 107 283.886 236.830 234.701 1.00 0.00 C +ATOM 108 CA GLY A 108 285.259 240.384 234.636 1.00 0.00 C +ATOM 109 CA GLY A 109 288.345 240.780 232.437 1.00 0.00 C +ATOM 110 CA ASP A 110 287.503 239.442 228.971 1.00 0.00 C +ATOM 111 CA GLY A 111 286.949 237.851 225.553 1.00 0.00 C +ATOM 112 CA HIS A 112 283.376 238.642 224.495 1.00 0.00 C +ATOM 113 CA SER A 113 282.239 238.787 220.861 1.00 0.00 C +ATOM 114 CA HIS A 114 283.062 236.856 217.681 1.00 0.00 C +ATOM 115 CA ASP A 115 286.451 235.123 217.519 1.00 0.00 C +ATOM 116 CA SER A 116 289.923 236.692 217.507 1.00 0.00 C +ATOM 117 CA GLY A 117 291.304 240.002 218.792 1.00 0.00 C +ATOM 118 CA HIS A 118 293.141 239.250 222.045 1.00 0.00 C +ATOM 119 CA GLY A 119 296.888 239.834 222.409 1.00 0.00 C +ATOM 120 CA GLY A 120 298.901 240.438 219.231 1.00 0.00 C +ATOM 121 CA ALA A 121 298.098 243.357 216.918 1.00 0.00 C +ATOM 122 CA ASP A 122 299.285 246.161 214.628 1.00 0.00 C +ATOM 123 CA PRO A 123 301.678 248.529 212.845 1.00 0.00 C +ATOM 124 CA HIS A 124 304.001 250.502 210.558 1.00 0.00 C +ATOM 125 CA LEU A 125 305.121 249.074 207.208 1.00 0.00 C +ATOM 126 CA HIS A 126 307.032 251.414 204.886 1.00 0.00 C +ATOM 127 CA THR A 127 306.302 251.019 201.168 1.00 0.00 C +ATOM 128 CA LEU A 128 303.080 252.571 199.856 1.00 0.00 C +ATOM 129 CA LEU A 129 303.858 255.118 197.131 1.00 0.00 C +TER 130 LEU A 129 +END diff --git a/Viruses/Q1EH47/Q1EH47.dcd b/Viruses/Q1EH47/Q1EH47.dcd new file mode 100644 index 0000000000000000000000000000000000000000..5bdc35a1c205b2e00105628b61c10412d4bd9ed0 --- /dev/null +++ b/Viruses/Q1EH47/Q1EH47.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bc1d34417f0d269c99567264e006859c461a08a7eabc2697210ef313e7a1ed19 +size 19040276 diff --git a/Viruses/Q1EH47/top.pdb b/Viruses/Q1EH47/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..bb33ea2302b663e4dbdc5e75caac512f9b3cc173 --- /dev/null +++ b/Viruses/Q1EH47/top.pdb @@ -0,0 +1,156 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ASN A 1 223.428 296.230 251.400 1.00 0.00 C +ATOM 2 CA LEU A 2 221.963 292.769 250.775 1.00 0.00 C +ATOM 3 CA GLY A 3 219.923 291.437 253.705 1.00 0.00 C +ATOM 4 CA ALA A 4 216.154 290.994 254.047 1.00 0.00 C +ATOM 5 CA PRO A 5 213.269 288.571 254.615 1.00 0.00 C +ATOM 6 CA GLY A 6 214.691 285.088 254.013 1.00 0.00 C +ATOM 7 CA GLY A 7 215.615 282.587 256.735 1.00 0.00 C +ATOM 8 CA GLY A 8 218.764 283.190 258.792 1.00 0.00 C +ATOM 9 CA PRO A 9 221.414 284.784 256.566 1.00 0.00 C +ATOM 10 CA ASP A 10 224.055 287.269 255.397 1.00 0.00 C +ATOM 11 CA ASN A 11 227.493 286.570 253.911 1.00 0.00 C +ATOM 12 CA GLY A 12 231.292 286.286 253.869 1.00 0.00 C +ATOM 13 CA PRO A 13 234.415 284.249 254.649 1.00 0.00 C +ATOM 14 CA GLN A 14 236.715 281.884 252.742 1.00 0.00 C +ATOM 15 CA ASP A 15 239.052 280.357 250.150 1.00 0.00 C +ATOM 16 CA PRO A 16 238.286 276.764 249.139 1.00 0.00 C +ATOM 17 CA ASP A 17 237.327 276.512 245.460 1.00 0.00 C +ATOM 18 CA ASN A 18 237.603 279.899 243.738 1.00 0.00 C +ATOM 19 CA THR A 19 235.429 281.744 241.211 1.00 0.00 C +ATOM 20 CA ASP A 20 235.432 280.453 237.626 1.00 0.00 C +ATOM 21 CA ASP A 21 236.236 279.311 234.081 1.00 0.00 C +ATOM 22 CA ASN A 22 237.217 278.638 230.462 1.00 0.00 C +ATOM 23 CA GLY A 23 239.968 276.123 229.671 1.00 0.00 C +ATOM 24 CA PRO A 24 242.658 275.583 232.313 1.00 0.00 C +ATOM 25 CA GLN A 25 245.334 277.382 234.343 1.00 0.00 C +ATOM 26 CA ASP A 26 248.307 278.195 232.104 1.00 0.00 C +ATOM 27 CA PRO A 27 248.894 279.468 228.561 1.00 0.00 C +ATOM 28 CA ASP A 28 247.677 281.841 225.841 1.00 0.00 C +ATOM 29 CA ASN A 29 248.330 282.381 222.126 1.00 0.00 C +ATOM 30 CA THR A 30 249.813 280.317 219.287 1.00 0.00 C +ATOM 31 CA ASP A 31 250.552 277.436 216.906 1.00 0.00 C +ATOM 32 CA ASP A 32 250.491 273.679 216.273 1.00 0.00 C +ATOM 33 CA ASN A 33 251.824 270.159 216.864 1.00 0.00 C +ATOM 34 CA GLY A 34 249.631 267.187 215.931 1.00 0.00 C +ATOM 35 CA PRO A 35 247.481 264.043 216.006 1.00 0.00 C +ATOM 36 CA GLN A 36 248.219 261.207 218.442 1.00 0.00 C +ATOM 37 CA ASP A 37 248.199 257.747 216.848 1.00 0.00 C +ATOM 38 CA PRO A 38 248.826 254.744 219.107 1.00 0.00 C +ATOM 39 CA ASP A 39 245.947 252.682 220.511 1.00 0.00 C +ATOM 40 CA ASN A 40 244.225 249.730 222.196 1.00 0.00 C +ATOM 41 CA THR A 41 245.801 246.279 221.851 1.00 0.00 C +ATOM 42 CA ASP A 42 249.593 246.628 221.957 1.00 0.00 C +ATOM 43 CA ASP A 43 252.615 247.723 219.911 1.00 0.00 C +ATOM 44 CA ASN A 44 252.437 245.882 216.580 1.00 0.00 C +ATOM 45 CA GLY A 45 252.185 244.569 213.012 1.00 0.00 C +ATOM 46 CA PRO A 46 249.662 245.770 210.423 1.00 0.00 C +ATOM 47 CA GLN A 47 246.319 243.993 210.850 1.00 0.00 C +ATOM 48 CA ASP A 48 244.121 241.437 209.075 1.00 0.00 C +ATOM 49 CA PRO A 49 243.802 237.663 208.659 1.00 0.00 C +ATOM 50 CA ASP A 50 247.291 236.143 208.471 1.00 0.00 C +ATOM 51 CA ASN A 51 250.006 234.480 206.379 1.00 0.00 C +ATOM 52 CA THR A 52 251.011 230.847 205.824 1.00 0.00 C +ATOM 53 CA ASP A 53 254.054 229.352 204.086 1.00 0.00 C +ATOM 54 CA ASP A 54 252.925 226.488 201.842 1.00 0.00 C +ATOM 55 CA ASN A 55 254.776 223.185 202.263 1.00 0.00 C +ATOM 56 CA GLY A 56 258.469 223.516 201.383 1.00 0.00 C +ATOM 57 CA PRO A 57 261.220 225.737 202.803 1.00 0.00 C +ATOM 58 CA GLN A 58 264.153 224.934 205.098 1.00 0.00 C +ATOM 59 CA ASP A 59 264.076 225.417 208.876 1.00 0.00 C +ATOM 60 CA PRO A 60 262.096 224.872 212.085 1.00 0.00 C +ATOM 61 CA ASP A 61 258.435 225.127 211.061 1.00 0.00 C +ATOM 62 CA ASN A 62 255.232 227.029 211.862 1.00 0.00 C +ATOM 63 CA THR A 63 252.984 227.445 214.910 1.00 0.00 C +ATOM 64 CA ASP A 64 250.828 226.673 217.955 1.00 0.00 C +ATOM 65 CA ASP A 65 251.351 229.660 220.262 1.00 0.00 C +ATOM 66 CA ASN A 66 254.524 231.738 219.895 1.00 0.00 C +ATOM 67 CA GLY A 67 256.635 230.930 222.962 1.00 0.00 C +ATOM 68 CA PRO A 68 259.511 230.782 225.457 1.00 0.00 C +ATOM 69 CA GLN A 69 261.202 233.593 227.394 1.00 0.00 C +ATOM 70 CA ASP A 70 261.134 233.560 231.203 1.00 0.00 C +ATOM 71 CA PRO A 71 261.452 236.437 233.681 1.00 0.00 C +ATOM 72 CA ASP A 72 261.100 240.117 232.759 1.00 0.00 C +ATOM 73 CA ASN A 73 263.324 242.992 231.614 1.00 0.00 C +ATOM 74 CA THR A 74 263.515 242.646 227.825 1.00 0.00 C +ATOM 75 CA ASP A 75 263.679 246.077 226.177 1.00 0.00 C +ATOM 76 CA ASP A 76 266.800 247.186 224.294 1.00 0.00 C +ATOM 77 CA ASN A 77 269.064 250.192 224.887 1.00 0.00 C +ATOM 78 CA GLY A 78 270.056 251.982 228.101 1.00 0.00 C +ATOM 79 CA PRO A 79 272.567 250.590 230.605 1.00 0.00 C +ATOM 80 CA GLN A 80 272.307 248.907 234.013 1.00 0.00 C +ATOM 81 CA ASP A 81 270.282 247.001 236.617 1.00 0.00 C +ATOM 82 CA PRO A 82 268.340 248.033 239.728 1.00 0.00 C +ATOM 83 CA ASP A 83 266.520 246.668 242.784 1.00 0.00 C +ATOM 84 CA ASN A 84 266.188 244.182 245.652 1.00 0.00 C +ATOM 85 CA THR A 85 267.325 242.242 248.728 1.00 0.00 C +ATOM 86 CA ASP A 86 266.951 242.166 252.519 1.00 0.00 C +ATOM 87 CA ASP A 87 264.112 243.571 254.636 1.00 0.00 C +ATOM 88 CA ASN A 88 262.626 247.024 255.257 1.00 0.00 C +ATOM 89 CA GLY A 89 259.092 247.295 256.656 1.00 0.00 C +ATOM 90 CA PRO A 90 256.532 244.600 257.491 1.00 0.00 C +ATOM 91 CA GLN A 91 257.405 240.907 257.835 1.00 0.00 C +ATOM 92 CA ASP A 92 258.246 237.944 255.593 1.00 0.00 C +ATOM 93 CA PRO A 93 260.953 235.303 256.053 1.00 0.00 C +ATOM 94 CA ASP A 94 263.294 232.500 257.140 1.00 0.00 C +ATOM 95 CA ASN A 95 262.177 231.090 260.498 1.00 0.00 C +ATOM 96 CA THR A 96 261.553 227.344 260.195 1.00 0.00 C +ATOM 97 CA ASP A 97 261.776 225.002 263.193 1.00 0.00 C +ATOM 98 CA ASP A 98 263.472 224.752 266.595 1.00 0.00 C +ATOM 99 CA ASN A 99 261.786 224.698 270.012 1.00 0.00 C +ATOM 100 CA GLY A 100 261.085 227.799 272.111 1.00 0.00 C +ATOM 101 CA PRO A 101 260.108 231.182 270.658 1.00 0.00 C +ATOM 102 CA HIS A 102 256.961 232.943 271.888 1.00 0.00 C +ATOM 103 CA ASP A 103 254.766 232.942 275.003 1.00 0.00 C +ATOM 104 CA PRO A 104 252.410 235.018 277.160 1.00 0.00 C +ATOM 105 CA LEU A 105 254.247 238.050 278.555 1.00 0.00 C +ATOM 106 CA PRO A 106 256.575 241.060 278.363 1.00 0.00 C +ATOM 107 CA HIS A 107 254.999 243.929 280.314 1.00 0.00 C +ATOM 108 CA ASN A 108 251.200 244.077 280.057 1.00 0.00 C +ATOM 109 CA PRO A 109 249.932 246.667 282.546 1.00 0.00 C +ATOM 110 CA SER A 110 252.550 247.163 285.269 1.00 0.00 C +ATOM 111 CA ASP A 111 254.941 246.941 288.228 1.00 0.00 C +ATOM 112 CA SER A 112 256.286 250.002 290.053 1.00 0.00 C +ATOM 113 CA ALA A 113 259.377 251.035 288.079 1.00 0.00 C +ATOM 114 CA GLY A 114 261.047 251.377 284.672 1.00 0.00 C +ATOM 115 CA ASN A 115 263.271 249.942 281.931 1.00 0.00 C +ATOM 116 CA ASP A 116 264.918 248.759 278.705 1.00 0.00 C +ATOM 117 CA GLY A 117 267.515 250.220 276.331 1.00 0.00 C +ATOM 118 CA GLY A 118 268.031 252.411 273.257 1.00 0.00 C +ATOM 119 CA PRO A 119 267.017 255.747 271.722 1.00 0.00 C +ATOM 120 CA PRO A 120 268.022 259.294 270.760 1.00 0.00 C +ATOM 121 CA ASN A 121 267.381 263.034 271.109 1.00 0.00 C +ATOM 122 CA LEU A 122 263.814 263.959 270.141 1.00 0.00 C +ATOM 123 CA THR A 123 260.516 262.770 271.631 1.00 0.00 C +ATOM 124 CA GLU A 124 257.827 260.168 272.351 1.00 0.00 C +ATOM 125 CA GLU A 125 257.423 256.429 271.745 1.00 0.00 C +ATOM 126 CA VAL A 126 260.112 253.731 271.652 1.00 0.00 C +ATOM 127 CA ASP A 127 261.873 250.368 271.966 1.00 0.00 C +ATOM 128 CA ASN A 128 259.405 247.466 271.938 1.00 0.00 C +ATOM 129 CA LYS A 129 256.549 248.284 274.324 1.00 0.00 C +ATOM 130 CA GLY A 130 252.982 247.524 275.426 1.00 0.00 C +ATOM 131 CA GLY A 131 250.587 249.852 277.260 1.00 0.00 C +ATOM 132 CA ASP A 132 247.051 251.251 277.022 1.00 0.00 C +ATOM 133 CA ARG A 133 243.348 250.436 276.652 1.00 0.00 C +ATOM 134 CA GLY A 134 241.051 249.632 279.583 1.00 0.00 C +ATOM 135 CA PRO A 135 238.165 249.927 282.054 1.00 0.00 C +ATOM 136 CA PRO A 136 234.983 250.765 283.973 1.00 0.00 C +ATOM 137 CA SER A 137 233.666 247.417 285.229 1.00 0.00 C +ATOM 138 CA MET A 138 235.086 245.874 288.411 1.00 0.00 C +ATOM 139 CA THR A 139 233.335 244.457 291.483 1.00 0.00 C +ATOM 140 CA ASP A 140 232.273 240.939 292.489 1.00 0.00 C +ATOM 141 CA GLY A 141 235.004 238.535 291.356 1.00 0.00 C +ATOM 142 CA GLY A 142 235.469 234.978 292.639 1.00 0.00 C +ATOM 143 CA GLY A 143 234.743 232.253 290.077 1.00 0.00 C +ATOM 144 CA GLY A 144 233.054 228.840 289.973 1.00 0.00 C +ATOM 145 CA ASP A 145 234.481 225.390 290.733 1.00 0.00 C +ATOM 146 CA PRO A 146 234.312 222.069 292.593 1.00 0.00 C +ATOM 147 CA HIS A 147 234.989 220.041 295.747 1.00 0.00 C +ATOM 148 CA LEU A 148 236.600 219.329 299.125 1.00 0.00 C +ATOM 149 CA PRO A 149 236.720 221.221 302.430 1.00 0.00 C +ATOM 150 CA THR A 150 235.609 223.507 305.269 1.00 0.00 C +ATOM 151 CA LEU A 151 236.774 226.611 307.145 1.00 0.00 C +ATOM 152 CA LEU A 152 236.472 229.995 308.870 1.00 0.00 C +TER 153 LEU A 152 +END diff --git a/Viruses/Q1EH77/Q1EH77.dcd b/Viruses/Q1EH77/Q1EH77.dcd new file mode 100644 index 0000000000000000000000000000000000000000..6531b4b20cf417616d44f31f933cf18337a959da --- /dev/null +++ b/Viruses/Q1EH77/Q1EH77.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e6382130159ac8a579767b59d07391972aec15a49eb74a2889649312ed40b271 +size 15080276 diff --git a/Viruses/Q1EH77/top.pdb b/Viruses/Q1EH77/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..bd937601dd2a64037a3314be87a55e5c33dc5824 --- /dev/null +++ b/Viruses/Q1EH77/top.pdb @@ -0,0 +1,123 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ASN A 1 264.635 274.759 295.804 1.00 0.00 C +ATOM 2 CA LEU A 2 266.274 275.550 299.151 1.00 0.00 C +ATOM 3 CA GLY A 3 267.444 274.093 302.471 1.00 0.00 C +ATOM 4 CA ALA A 4 267.645 274.390 306.264 1.00 0.00 C +ATOM 5 CA PRO A 5 271.030 273.524 307.785 1.00 0.00 C +ATOM 6 CA GLY A 6 271.706 269.778 307.628 1.00 0.00 C +ATOM 7 CA GLY A 7 274.235 268.342 310.089 1.00 0.00 C +ATOM 8 CA GLY A 8 276.876 270.804 311.306 1.00 0.00 C +ATOM 9 CA PRO A 9 280.041 270.147 309.290 1.00 0.00 C +ATOM 10 CA ASP A 10 283.103 268.715 307.532 1.00 0.00 C +ATOM 11 CA ASN A 11 285.187 268.397 304.358 1.00 0.00 C +ATOM 12 CA GLY A 12 288.152 270.428 303.095 1.00 0.00 C +ATOM 13 CA PRO A 13 291.369 269.140 301.510 1.00 0.00 C +ATOM 14 CA GLN A 14 292.985 265.697 301.731 1.00 0.00 C +ATOM 15 CA ASP A 15 295.675 263.709 299.906 1.00 0.00 C +ATOM 16 CA PRO A 16 294.511 260.082 299.875 1.00 0.00 C +ATOM 17 CA ASP A 17 292.323 257.474 298.164 1.00 0.00 C +ATOM 18 CA ASN A 18 292.227 255.145 295.151 1.00 0.00 C +ATOM 19 CA THR A 19 290.053 252.114 295.927 1.00 0.00 C +ATOM 20 CA ASP A 20 288.433 250.293 298.855 1.00 0.00 C +ATOM 21 CA ASP A 21 285.025 249.908 300.514 1.00 0.00 C +ATOM 22 CA ASN A 22 281.907 250.820 298.524 1.00 0.00 C +ATOM 23 CA GLY A 23 282.983 252.759 295.425 1.00 0.00 C +ATOM 24 CA PRO A 24 280.134 254.692 293.793 1.00 0.00 C +ATOM 25 CA GLN A 25 279.846 256.456 290.427 1.00 0.00 C +ATOM 26 CA ASP A 26 276.693 256.365 288.291 1.00 0.00 C +ATOM 27 CA PRO A 27 274.321 255.295 285.507 1.00 0.00 C +ATOM 28 CA ASP A 28 271.140 255.713 283.452 1.00 0.00 C +ATOM 29 CA ASN A 29 268.233 258.048 284.235 1.00 0.00 C +ATOM 30 CA THR A 30 267.644 258.220 287.996 1.00 0.00 C +ATOM 31 CA ASP A 31 269.399 260.309 290.655 1.00 0.00 C +ATOM 32 CA ASP A 32 267.850 263.625 291.715 1.00 0.00 C +ATOM 33 CA ASN A 33 268.112 266.706 289.489 1.00 0.00 C +ATOM 34 CA GLY A 34 270.953 269.115 290.292 1.00 0.00 C +ATOM 35 CA PRO A 35 274.038 268.766 288.084 1.00 0.00 C +ATOM 36 CA GLN A 36 275.489 269.960 284.769 1.00 0.00 C +ATOM 37 CA ASP A 37 274.398 268.160 281.593 1.00 0.00 C +ATOM 38 CA PRO A 38 270.699 267.315 281.242 1.00 0.00 C +ATOM 39 CA ASP A 39 269.938 264.821 278.464 1.00 0.00 C +ATOM 40 CA ASN A 40 266.636 263.067 277.732 1.00 0.00 C +ATOM 41 CA THR A 41 265.057 264.768 274.711 1.00 0.00 C +ATOM 42 CA ASP A 42 261.946 265.856 272.798 1.00 0.00 C +ATOM 43 CA ASP A 43 259.746 266.310 269.721 1.00 0.00 C +ATOM 44 CA ASN A 44 260.815 267.986 266.471 1.00 0.00 C +ATOM 45 CA GLY A 45 259.968 265.974 263.348 1.00 0.00 C +ATOM 46 CA PRO A 46 261.954 262.854 262.430 1.00 0.00 C +ATOM 47 CA GLN A 47 261.695 259.219 263.541 1.00 0.00 C +ATOM 48 CA ASP A 48 261.563 256.346 261.042 1.00 0.00 C +ATOM 49 CA PRO A 49 261.975 253.031 259.210 1.00 0.00 C +ATOM 50 CA ASP A 50 264.048 249.963 260.110 1.00 0.00 C +ATOM 51 CA ASN A 51 265.030 246.341 259.449 1.00 0.00 C +ATOM 52 CA THR A 52 262.885 243.390 258.352 1.00 0.00 C +ATOM 53 CA ASP A 53 261.635 239.863 257.635 1.00 0.00 C +ATOM 54 CA ASP A 54 258.810 239.515 255.102 1.00 0.00 C +ATOM 55 CA ASN A 55 256.233 242.222 255.840 1.00 0.00 C +ATOM 56 CA GLY A 56 258.049 245.554 255.501 1.00 0.00 C +ATOM 57 CA PRO A 57 260.987 247.774 254.522 1.00 0.00 C +ATOM 58 CA HIS A 58 261.848 250.862 252.463 1.00 0.00 C +ATOM 59 CA PRO A 59 263.650 254.165 253.062 1.00 0.00 C +ATOM 60 CA ASP A 60 263.864 256.051 249.759 1.00 0.00 C +ATOM 61 CA ASN A 61 262.452 256.899 246.323 1.00 0.00 C +ATOM 62 CA THR A 62 261.315 256.378 242.725 1.00 0.00 C +ATOM 63 CA ASP A 63 258.493 253.822 242.856 1.00 0.00 C +ATOM 64 CA ASP A 64 255.251 252.292 241.566 1.00 0.00 C +ATOM 65 CA ASN A 65 252.497 250.047 240.188 1.00 0.00 C +ATOM 66 CA GLY A 66 249.242 251.969 240.660 1.00 0.00 C +ATOM 67 CA PRO A 67 247.734 254.818 238.629 1.00 0.00 C +ATOM 68 CA HIS A 68 246.713 255.044 234.965 1.00 0.00 C +ATOM 69 CA ASP A 69 247.750 251.774 233.307 1.00 0.00 C +ATOM 70 CA PRO A 70 246.418 249.457 230.591 1.00 0.00 C +ATOM 71 CA LEU A 71 246.744 245.727 231.295 1.00 0.00 C +ATOM 72 CA PRO A 72 247.893 242.395 229.848 1.00 0.00 C +ATOM 73 CA LEU A 73 246.789 238.750 229.922 1.00 0.00 C +ATOM 74 CA ILE A 74 243.941 238.460 227.408 1.00 0.00 C +ATOM 75 CA THR A 75 240.819 236.278 227.522 1.00 0.00 C +ATOM 76 CA LEU A 76 238.115 234.734 229.718 1.00 0.00 C +ATOM 77 CA ALA A 77 235.313 235.682 232.119 1.00 0.00 C +ATOM 78 CA THR A 78 233.386 237.989 234.460 1.00 0.00 C +ATOM 79 CA LEU A 79 231.826 241.464 234.394 1.00 0.00 C +ATOM 80 CA ALA A 80 234.540 244.075 233.814 1.00 0.00 C +ATOM 81 CA GLY A 81 236.446 247.334 234.328 1.00 0.00 C +ATOM 82 CA ASN A 82 238.226 249.031 231.418 1.00 0.00 C +ATOM 83 CA ASP A 83 236.999 252.636 231.537 1.00 0.00 C +ATOM 84 CA GLY A 84 234.938 255.532 230.165 1.00 0.00 C +ATOM 85 CA GLY A 85 231.621 255.932 231.996 1.00 0.00 C +ATOM 86 CA PRO A 86 228.260 257.714 232.210 1.00 0.00 C +ATOM 87 CA PRO A 87 224.705 258.095 233.528 1.00 0.00 C +ATOM 88 CA ASN A 88 221.242 256.509 233.429 1.00 0.00 C +ATOM 89 CA LEU A 89 217.762 254.960 233.379 1.00 0.00 C +ATOM 90 CA THR A 90 217.671 252.791 230.248 1.00 0.00 C +ATOM 91 CA GLU A 91 218.461 253.835 226.670 1.00 0.00 C +ATOM 92 CA GLU A 92 217.295 255.698 223.558 1.00 0.00 C +ATOM 93 CA VAL A 93 213.772 254.996 222.287 1.00 0.00 C +ATOM 94 CA GLU A 94 212.546 254.063 218.803 1.00 0.00 C +ATOM 95 CA ASN A 95 213.239 252.438 215.427 1.00 0.00 C +ATOM 96 CA LYS A 96 212.755 250.395 212.248 1.00 0.00 C +ATOM 97 CA GLY A 97 214.173 246.894 211.752 1.00 0.00 C +ATOM 98 CA GLY A 98 214.433 243.096 211.595 1.00 0.00 C +ATOM 99 CA ASP A 99 216.442 239.861 211.705 1.00 0.00 C +ATOM 100 CA ARG A 100 217.680 236.834 209.750 1.00 0.00 C +ATOM 101 CA GLY A 101 216.378 234.305 207.215 1.00 0.00 C +ATOM 102 CA PRO A 102 216.318 232.469 203.877 1.00 0.00 C +ATOM 103 CA PRO A 103 215.164 229.634 201.608 1.00 0.00 C +ATOM 104 CA SER A 104 215.139 228.774 197.897 1.00 0.00 C +ATOM 105 CA MET A 105 217.852 226.193 197.191 1.00 0.00 C +ATOM 106 CA THR A 106 218.763 226.170 193.491 1.00 0.00 C +ATOM 107 CA ASP A 107 216.816 223.477 191.627 1.00 0.00 C +ATOM 108 CA GLY A 108 217.660 221.283 188.629 1.00 0.00 C +ATOM 109 CA GLY A 109 217.842 217.546 187.910 1.00 0.00 C +ATOM 110 CA GLY A 110 219.018 214.501 185.945 1.00 0.00 C +ATOM 111 CA GLY A 111 216.167 213.342 183.699 1.00 0.00 C +ATOM 112 CA ASP A 112 212.675 213.576 185.204 1.00 0.00 C +ATOM 113 CA PRO A 113 210.275 212.424 182.478 1.00 0.00 C +ATOM 114 CA HIS A 114 209.162 213.800 179.104 1.00 0.00 C +ATOM 115 CA LEU A 115 206.608 214.796 176.459 1.00 0.00 C +ATOM 116 CA PRO A 116 204.950 215.072 173.040 1.00 0.00 C +ATOM 117 CA THR A 117 203.036 213.469 170.161 1.00 0.00 C +ATOM 118 CA LEU A 118 202.995 210.731 167.512 1.00 0.00 C +ATOM 119 CA LEU A 119 206.185 210.995 165.444 1.00 0.00 C +TER 120 LEU A 119 +END diff --git a/Viruses/Q1KWA0/Q1KWA0.dcd b/Viruses/Q1KWA0/Q1KWA0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..4a45e950b25a479f916e67c5482c974324ffdba7 --- /dev/null +++ b/Viruses/Q1KWA0/Q1KWA0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:981e64d56195acda96e4049436db1ce09c1bb48da50de54bb7340496c4d1784c +size 9080276 diff --git a/Viruses/Q1KWA0/top.pdb b/Viruses/Q1KWA0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c038d2c54ce59e2ae91f687df3318636a2feb11a --- /dev/null +++ b/Viruses/Q1KWA0/top.pdb @@ -0,0 +1,73 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA PHE A 1 261.661 286.233 225.451 1.00 0.00 C +ATOM 2 CA PHE A 2 264.519 283.828 226.202 1.00 0.00 C +ATOM 3 CA ARG A 3 263.606 280.233 227.069 1.00 0.00 C +ATOM 4 CA GLU A 4 262.522 276.682 226.215 1.00 0.00 C +ATOM 5 CA ILE A 5 262.105 274.131 223.415 1.00 0.00 C +ATOM 6 CA TRP A 6 262.610 271.953 220.330 1.00 0.00 C +ATOM 7 CA PRO A 7 259.824 272.084 217.734 1.00 0.00 C +ATOM 8 CA SER A 8 256.572 273.694 218.898 1.00 0.00 C +ATOM 9 CA HIS A 9 255.148 277.226 218.819 1.00 0.00 C +ATOM 10 CA LYS A 10 253.467 280.216 220.477 1.00 0.00 C +ATOM 11 CA GLY A 11 251.055 283.164 220.585 1.00 0.00 C +ATOM 12 CA ARG A 12 248.034 282.003 222.596 1.00 0.00 C +ATOM 13 CA PRO A 13 246.539 278.806 221.161 1.00 0.00 C +ATOM 14 CA GLY A 14 243.294 277.216 222.369 1.00 0.00 C +ATOM 15 CA ASN A 15 242.397 273.574 221.698 1.00 0.00 C +ATOM 16 CA PHE A 16 245.386 271.221 221.490 1.00 0.00 C +ATOM 17 CA LEU A 17 248.752 269.523 220.938 1.00 0.00 C +ATOM 18 CA GLN A 18 251.333 267.280 219.256 1.00 0.00 C +ATOM 19 CA SER A 19 250.108 265.480 216.130 1.00 0.00 C +ATOM 20 CA ARG A 20 249.214 261.989 217.367 1.00 0.00 C +ATOM 21 CA PRO A 21 251.713 260.686 219.932 1.00 0.00 C +ATOM 22 CA GLU A 22 253.668 261.909 222.965 1.00 0.00 C +ATOM 23 CA PRO A 23 251.508 262.669 226.010 1.00 0.00 C +ATOM 24 CA THR A 24 250.611 259.256 227.448 1.00 0.00 C +ATOM 25 CA ALA A 25 252.047 255.958 228.703 1.00 0.00 C +ATOM 26 CA PRO A 26 251.620 252.985 231.047 1.00 0.00 C +ATOM 27 CA LEU A 27 250.594 249.497 232.184 1.00 0.00 C +ATOM 28 CA GLN A 28 251.162 247.846 235.571 1.00 0.00 C +ATOM 29 CA PRO A 29 253.388 248.704 238.541 1.00 0.00 C +ATOM 30 CA THR A 30 256.864 247.719 239.749 1.00 0.00 C +ATOM 31 CA ALA A 31 257.248 244.256 241.291 1.00 0.00 C +ATOM 32 CA PRO A 32 255.548 244.085 244.697 1.00 0.00 C +ATOM 33 CA PRO A 33 255.929 245.504 248.212 1.00 0.00 C +ATOM 34 CA ALA A 34 254.161 248.721 249.233 1.00 0.00 C +ATOM 35 CA GLU A 35 253.160 251.803 247.229 1.00 0.00 C +ATOM 36 CA SER A 36 251.381 255.120 246.640 1.00 0.00 C +ATOM 37 CA PHE A 37 251.973 257.894 249.183 1.00 0.00 C +ATOM 38 CA ARG A 38 251.180 260.068 252.210 1.00 0.00 C +ATOM 39 CA GLU A 39 250.923 257.870 255.312 1.00 0.00 C +ATOM 40 CA THR A 40 248.561 255.204 256.665 1.00 0.00 C +ATOM 41 CA THR A 41 245.127 253.573 256.912 1.00 0.00 C +ATOM 42 CA PRO A 42 243.450 251.258 259.430 1.00 0.00 C +ATOM 43 CA THR A 43 245.787 248.785 261.144 1.00 0.00 C +ATOM 44 CA PRO A 44 247.248 249.431 264.604 1.00 0.00 C +ATOM 45 CA LYS A 45 247.822 246.587 267.073 1.00 0.00 C +ATOM 46 CA GLN A 46 245.639 243.599 266.165 1.00 0.00 C +ATOM 47 CA GLU A 47 243.659 240.364 266.529 1.00 0.00 C +ATOM 48 CA LEU A 48 241.403 237.327 266.976 1.00 0.00 C +ATOM 49 CA LYS A 49 242.204 233.839 268.283 1.00 0.00 C +ATOM 50 CA ASP A 50 241.508 230.452 266.684 1.00 0.00 C +ATOM 51 CA ARG A 51 239.423 227.275 266.402 1.00 0.00 C +ATOM 52 CA GLU A 52 238.529 224.179 268.435 1.00 0.00 C +ATOM 53 CA PRO A 53 241.207 221.505 268.876 1.00 0.00 C +ATOM 54 CA PRO A 54 239.687 218.015 269.046 1.00 0.00 C +ATOM 55 CA LEU A 55 239.814 216.755 272.639 1.00 0.00 C +ATOM 56 CA ILE A 56 242.042 215.135 275.271 1.00 0.00 C +ATOM 57 CA SER A 57 245.529 214.711 276.747 1.00 0.00 C +ATOM 58 CA LEU A 58 247.505 217.040 279.025 1.00 0.00 C +ATOM 59 CA LYS A 59 248.251 219.450 281.880 1.00 0.00 C +ATOM 60 CA SER A 60 246.943 222.932 281.057 1.00 0.00 C +ATOM 61 CA LEU A 61 246.494 225.435 283.895 1.00 0.00 C +ATOM 62 CA PHE A 62 248.833 225.711 286.890 1.00 0.00 C +ATOM 63 CA GLY A 63 252.143 227.597 286.911 1.00 0.00 C +ATOM 64 CA SER A 64 253.152 227.667 290.585 1.00 0.00 C +ATOM 65 CA ASP A 65 253.276 228.988 294.156 1.00 0.00 C +ATOM 66 CA PRO A 66 250.504 228.118 296.621 1.00 0.00 C +ATOM 67 CA LEU A 67 247.961 228.662 299.405 1.00 0.00 C +ATOM 68 CA SER A 68 246.329 227.072 302.459 1.00 0.00 C +ATOM 69 CA GLN A 69 247.150 224.247 304.880 1.00 0.00 C +TER 70 GLN A 69 +END diff --git a/Viruses/Q1MWN9/Q1MWN9.dcd b/Viruses/Q1MWN9/Q1MWN9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..ed74e3dc4427b58c628f33ed497086680c53d5f6 --- /dev/null +++ b/Viruses/Q1MWN9/Q1MWN9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:283f5cd4fedd6333d527b147e8f778fbc25e52efad36ec8023f2256488bbb3ad +size 18440276 diff --git a/Viruses/Q1MWN9/top.pdb b/Viruses/Q1MWN9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a9ac8f7a46f4b5034741eb4f414dc018603a0ffa --- /dev/null +++ b/Viruses/Q1MWN9/top.pdb @@ -0,0 +1,151 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 265.128 284.841 225.441 1.00 0.00 C +ATOM 2 CA ALA A 2 267.553 282.906 227.651 1.00 0.00 C +ATOM 3 CA SER A 3 266.599 279.227 227.388 1.00 0.00 C +ATOM 4 CA ALA A 4 262.805 279.210 227.041 1.00 0.00 C +ATOM 5 CA ALA A 5 260.878 279.022 223.760 1.00 0.00 C +ATOM 6 CA PRO A 6 260.388 282.156 221.648 1.00 0.00 C +ATOM 7 CA SER A 7 261.334 283.295 218.138 1.00 0.00 C +ATOM 8 CA PRO A 8 263.567 281.809 215.432 1.00 0.00 C +ATOM 9 CA ARG A 9 263.795 283.754 212.163 1.00 0.00 C +ATOM 10 CA PRO A 10 261.963 282.782 208.967 1.00 0.00 C +ATOM 11 CA ARG A 11 258.488 283.187 207.458 1.00 0.00 C +ATOM 12 CA ALA A 12 256.467 280.362 205.892 1.00 0.00 C +ATOM 13 CA PRO A 13 257.284 277.152 204.009 1.00 0.00 C +ATOM 14 CA ALA A 14 259.960 274.441 204.107 1.00 0.00 C +ATOM 15 CA ALA A 15 262.667 275.695 201.738 1.00 0.00 C +ATOM 16 CA PRO A 16 265.607 277.620 200.265 1.00 0.00 C +ATOM 17 CA ALA A 17 267.568 275.119 198.163 1.00 0.00 C +ATOM 18 CA LEU A 18 269.975 272.168 198.278 1.00 0.00 C +ATOM 19 CA ASN A 19 269.860 269.146 200.596 1.00 0.00 C +ATOM 20 CA SER A 20 270.610 269.401 204.323 1.00 0.00 C +ATOM 21 CA HIS A 21 272.073 272.708 205.523 1.00 0.00 C +ATOM 22 CA ARG A 22 269.530 274.312 207.863 1.00 0.00 C +ATOM 23 CA GLU A 23 268.388 276.212 210.962 1.00 0.00 C +ATOM 24 CA LEU A 24 269.899 278.303 213.766 1.00 0.00 C +ATOM 25 CA PRO A 25 270.914 281.963 214.065 1.00 0.00 C +ATOM 26 CA ARG A 26 270.268 282.909 217.698 1.00 0.00 C +ATOM 27 CA PRO A 27 272.440 285.696 219.124 1.00 0.00 C +ATOM 28 CA ARG A 28 274.581 287.018 221.985 1.00 0.00 C +ATOM 29 CA ALA A 29 278.204 286.207 222.840 1.00 0.00 C +ATOM 30 CA ALA A 30 281.893 286.728 223.637 1.00 0.00 C +ATOM 31 CA ALA A 31 284.172 289.306 225.273 1.00 0.00 C +ATOM 32 CA GLY A 32 284.003 289.683 229.060 1.00 0.00 C +ATOM 33 CA PRO A 33 285.100 289.674 232.709 1.00 0.00 C +ATOM 34 CA PRO A 34 284.151 292.322 235.279 1.00 0.00 C +ATOM 35 CA THR A 35 282.032 293.429 238.246 1.00 0.00 C +ATOM 36 CA PRO A 36 278.242 293.039 238.214 1.00 0.00 C +ATOM 37 CA ALA A 37 275.739 292.698 235.361 1.00 0.00 C +ATOM 38 CA PHE A 38 274.621 289.600 233.445 1.00 0.00 C +ATOM 39 CA ALA A 39 273.668 285.960 232.844 1.00 0.00 C +ATOM 40 CA ALA A 40 272.423 282.552 234.005 1.00 0.00 C +ATOM 41 CA ALA A 41 270.161 279.622 234.910 1.00 0.00 C +ATOM 42 CA PRO A 42 269.109 279.153 238.541 1.00 0.00 C +ATOM 43 CA GLY A 43 266.146 281.489 239.071 1.00 0.00 C +ATOM 44 CA PRO A 44 263.280 280.029 237.028 1.00 0.00 C +ATOM 45 CA ALA A 45 259.861 279.765 238.688 1.00 0.00 C +ATOM 46 CA ALA A 46 257.284 277.458 237.090 1.00 0.00 C +ATOM 47 CA ARG A 47 256.134 274.191 238.679 1.00 0.00 C +ATOM 48 CA CYS A 48 253.049 272.281 239.842 1.00 0.00 C +ATOM 49 CA ASP A 49 253.471 269.043 241.806 1.00 0.00 C +ATOM 50 CA ASP A 50 253.855 267.385 245.214 1.00 0.00 C +ATOM 51 CA ASP A 51 255.125 264.559 247.431 1.00 0.00 C +ATOM 52 CA ARG A 52 254.202 260.954 248.248 1.00 0.00 C +ATOM 53 CA VAL A 53 251.462 258.525 249.299 1.00 0.00 C +ATOM 54 CA PRO A 54 249.514 260.411 251.975 1.00 0.00 C +ATOM 55 CA GLN A 55 249.845 263.282 254.458 1.00 0.00 C +ATOM 56 CA GLY A 56 249.443 265.600 257.455 1.00 0.00 C +ATOM 57 CA ARG A 57 248.082 269.004 258.494 1.00 0.00 C +ATOM 58 CA GLY A 58 249.003 271.407 255.685 1.00 0.00 C +ATOM 59 CA ASP A 59 249.823 274.479 253.586 1.00 0.00 C +ATOM 60 CA ALA A 60 253.074 274.604 251.602 1.00 0.00 C +ATOM 61 CA PRO A 61 253.908 272.453 248.570 1.00 0.00 C +ATOM 62 CA PRO A 62 251.191 272.902 245.938 1.00 0.00 C +ATOM 63 CA SER A 63 247.896 271.518 247.258 1.00 0.00 C +ATOM 64 CA ALA A 64 246.201 268.441 245.783 1.00 0.00 C +ATOM 65 CA GLU A 65 246.471 264.675 246.295 1.00 0.00 C +ATOM 66 CA VAL A 66 243.158 263.666 247.885 1.00 0.00 C +ATOM 67 CA GLY A 67 239.451 262.972 247.346 1.00 0.00 C +ATOM 68 CA ARG A 68 238.663 263.731 243.697 1.00 0.00 C +ATOM 69 CA PRO A 69 235.537 264.490 241.656 1.00 0.00 C +ATOM 70 CA PRO A 70 233.490 267.410 242.997 1.00 0.00 C +ATOM 71 CA ARG A 71 231.132 267.573 245.985 1.00 0.00 C +ATOM 72 CA ALA A 72 227.609 268.865 246.647 1.00 0.00 C +ATOM 73 CA PRO A 73 227.028 272.630 246.672 1.00 0.00 C +ATOM 74 CA ARG A 74 229.663 275.350 247.095 1.00 0.00 C +ATOM 75 CA GLU A 75 232.229 273.909 249.515 1.00 0.00 C +ATOM 76 CA PRO A 76 234.104 272.390 252.464 1.00 0.00 C +ATOM 77 CA ARG A 77 235.175 273.006 256.068 1.00 0.00 C +ATOM 78 CA THR A 78 238.183 270.845 256.959 1.00 0.00 C +ATOM 79 CA PRO A 79 239.776 268.036 254.936 1.00 0.00 C +ATOM 80 CA ARG A 80 240.708 264.488 255.964 1.00 0.00 C +ATOM 81 CA GLU A 81 242.466 261.505 257.554 1.00 0.00 C +ATOM 82 CA PRO A 82 241.393 258.206 255.979 1.00 0.00 C +ATOM 83 CA ARG A 83 240.697 254.885 254.245 1.00 0.00 C +ATOM 84 CA VAL A 84 243.687 252.884 252.993 1.00 0.00 C +ATOM 85 CA PRO A 85 246.792 255.067 252.664 1.00 0.00 C +ATOM 86 CA ARG A 86 250.290 254.281 253.955 1.00 0.00 C +ATOM 87 CA ARG A 87 253.127 255.856 255.950 1.00 0.00 C +ATOM 88 CA PRO A 88 256.706 255.923 254.646 1.00 0.00 C +ATOM 89 CA ARG A 89 258.653 253.443 252.506 1.00 0.00 C +ATOM 90 CA GLU A 90 258.053 252.003 249.031 1.00 0.00 C +ATOM 91 CA PRO A 91 254.725 250.154 249.185 1.00 0.00 C +ATOM 92 CA ARG A 92 254.515 247.073 251.416 1.00 0.00 C +ATOM 93 CA ARG A 93 257.118 245.685 253.827 1.00 0.00 C +ATOM 94 CA PRO A 94 257.085 245.052 257.584 1.00 0.00 C +ATOM 95 CA ARG A 95 255.027 246.864 260.230 1.00 0.00 C +ATOM 96 CA GLU A 96 254.166 250.462 259.321 1.00 0.00 C +ATOM 97 CA PRO A 97 252.035 252.682 261.568 1.00 0.00 C +ATOM 98 CA ARG A 98 248.378 252.033 260.719 1.00 0.00 C +ATOM 99 CA ASP A 99 247.477 248.381 260.112 1.00 0.00 C +ATOM 100 CA PRO A 100 244.837 247.706 257.449 1.00 0.00 C +ATOM 101 CA ARG A 101 245.510 244.636 255.295 1.00 0.00 C +ATOM 102 CA GLU A 102 246.977 241.472 253.759 1.00 0.00 C +ATOM 103 CA PRO A 103 245.115 238.371 254.954 1.00 0.00 C +ATOM 104 CA ARG A 104 242.813 236.905 257.613 1.00 0.00 C +ATOM 105 CA GLU A 105 239.302 235.740 258.524 1.00 0.00 C +ATOM 106 CA PRO A 106 238.381 232.243 259.723 1.00 0.00 C +ATOM 107 CA ARG A 107 236.576 232.424 263.074 1.00 0.00 C +ATOM 108 CA GLN A 108 238.162 230.232 265.756 1.00 0.00 C +ATOM 109 CA PRO A 109 237.618 226.699 267.074 1.00 0.00 C +ATOM 110 CA ARG A 110 238.822 223.830 269.273 1.00 0.00 C +ATOM 111 CA GLU A 111 239.676 220.991 266.880 1.00 0.00 C +ATOM 112 CA PRO A 112 242.060 218.631 265.073 1.00 0.00 C +ATOM 113 CA ARG A 113 242.640 214.937 264.344 1.00 0.00 C +ATOM 114 CA ARG A 114 242.967 211.248 263.451 1.00 0.00 C +ATOM 115 CA PRO A 115 242.698 207.457 263.728 1.00 0.00 C +ATOM 116 CA ARG A 116 241.152 204.511 265.583 1.00 0.00 C +ATOM 117 CA GLU A 117 242.103 201.785 268.070 1.00 0.00 C +ATOM 118 CA PRO A 118 239.373 199.719 269.742 1.00 0.00 C +ATOM 119 CA ARG A 119 240.464 197.758 272.821 1.00 0.00 C +ATOM 120 CA ARG A 120 242.174 194.991 274.806 1.00 0.00 C +ATOM 121 CA PRO A 121 240.965 195.182 278.414 1.00 0.00 C +ATOM 122 CA ARG A 122 238.180 197.500 279.593 1.00 0.00 C +ATOM 123 CA ASP A 123 235.499 195.463 281.377 1.00 0.00 C +ATOM 124 CA PRO A 124 236.230 193.354 284.465 1.00 0.00 C +ATOM 125 CA ARG A 125 239.419 193.803 286.501 1.00 0.00 C +ATOM 126 CA GLN A 126 240.156 192.603 290.041 1.00 0.00 C +ATOM 127 CA PRO A 127 238.074 190.636 292.554 1.00 0.00 C +ATOM 128 CA ARG A 128 239.553 187.216 293.351 1.00 0.00 C +ATOM 129 CA GLU A 129 239.694 185.303 290.059 1.00 0.00 C +ATOM 130 CA PRO A 130 238.320 187.189 287.047 1.00 0.00 C +ATOM 131 CA ARG A 131 235.353 185.341 285.533 1.00 0.00 C +ATOM 132 CA THR A 132 232.422 183.155 286.605 1.00 0.00 C +ATOM 133 CA PRO A 133 229.092 181.426 287.267 1.00 0.00 C +ATOM 134 CA ARG A 134 226.484 184.201 287.149 1.00 0.00 C +ATOM 135 CA HIS A 135 227.585 187.538 288.622 1.00 0.00 C +ATOM 136 CA TYR A 136 228.387 188.256 292.277 1.00 0.00 C +ATOM 137 CA VAL A 137 230.490 190.625 294.393 1.00 0.00 C +ATOM 138 CA GLN A 138 230.243 194.306 293.441 1.00 0.00 C +ATOM 139 CA PRO A 139 232.213 195.254 290.321 1.00 0.00 C +ATOM 140 CA PRO A 140 230.486 196.965 287.388 1.00 0.00 C +ATOM 141 CA ALA A 141 226.716 197.515 287.362 1.00 0.00 C +ATOM 142 CA PRO A 142 226.179 201.183 286.484 1.00 0.00 C +ATOM 143 CA ARG A 143 223.200 203.551 286.677 1.00 0.00 C +ATOM 144 CA VAL A 144 220.130 201.918 285.121 1.00 0.00 C +ATOM 145 CA PRO A 145 217.901 201.968 282.030 1.00 0.00 C +ATOM 146 CA ARG A 146 214.993 199.507 281.987 1.00 0.00 C +ATOM 147 CA GLY A 147 211.888 198.115 280.273 1.00 0.00 C +TER 148 GLY A 147 +END diff --git a/Viruses/Q1WIU5/Q1WIU5.dcd b/Viruses/Q1WIU5/Q1WIU5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8fec2a2127dbaec2e2eb340db7a0fb3534771b21 --- /dev/null +++ b/Viruses/Q1WIU5/Q1WIU5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:84444ed457d125f64ec3fc7cfc30494770a31ef4693e346d01796651c13cc952 +size 10160276 diff --git a/Viruses/Q1WIU5/top.pdb b/Viruses/Q1WIU5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..dfbd94c86c204e6cdae646c32e4da0b559a819ad --- /dev/null +++ b/Viruses/Q1WIU5/top.pdb @@ -0,0 +1,82 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA THR A 1 244.298 233.045 263.185 1.00 0.00 C +ATOM 2 CA LYS A 2 243.384 233.443 259.507 1.00 0.00 C +ATOM 3 CA PRO A 3 240.764 235.541 257.704 1.00 0.00 C +ATOM 4 CA LYS A 4 241.154 236.839 254.143 1.00 0.00 C +ATOM 5 CA GLU A 5 243.538 235.485 251.498 1.00 0.00 C +ATOM 6 CA VAL A 6 246.613 234.666 249.403 1.00 0.00 C +ATOM 7 CA LEU A 7 247.895 233.632 245.967 1.00 0.00 C +ATOM 8 CA THR A 8 250.813 235.421 244.293 1.00 0.00 C +ATOM 9 CA THR A 9 254.170 236.146 245.941 1.00 0.00 C +ATOM 10 CA LYS A 10 257.073 234.599 244.019 1.00 0.00 C +ATOM 11 CA PRO A 11 256.782 230.819 243.648 1.00 0.00 C +ATOM 12 CA THR A 12 258.831 229.378 246.519 1.00 0.00 C +ATOM 13 CA GLU A 13 260.608 228.189 249.672 1.00 0.00 C +ATOM 14 CA LYS A 14 259.664 227.647 253.323 1.00 0.00 C +ATOM 15 CA PRO A 15 258.867 226.957 256.984 1.00 0.00 C +ATOM 16 CA THR A 16 259.986 230.021 258.952 1.00 0.00 C +ATOM 17 CA ILE A 17 260.147 233.741 259.760 1.00 0.00 C +ATOM 18 CA ASN A 18 263.067 235.699 258.291 1.00 0.00 C +ATOM 19 CA SER A 19 261.596 237.779 255.458 1.00 0.00 C +ATOM 20 CA THR A 20 262.422 237.348 251.764 1.00 0.00 C +ATOM 21 CA LYS A 21 262.717 233.801 250.405 1.00 0.00 C +ATOM 22 CA THR A 22 263.804 233.777 246.754 1.00 0.00 C +ATOM 23 CA ASN A 23 265.866 236.598 245.235 1.00 0.00 C +ATOM 24 CA ILE A 24 264.414 238.181 242.088 1.00 0.00 C +ATOM 25 CA LYS A 25 262.825 240.316 239.362 1.00 0.00 C +ATOM 26 CA ILE A 26 260.962 243.241 237.786 1.00 0.00 C +ATOM 27 CA THR A 27 257.860 244.111 235.752 1.00 0.00 C +ATOM 28 CA LEU A 28 256.443 245.187 232.382 1.00 0.00 C +ATOM 29 CA LEU A 29 252.643 245.056 232.619 1.00 0.00 C +ATOM 30 CA THR A 30 249.136 246.516 232.915 1.00 0.00 C +ATOM 31 CA SER A 31 248.086 249.716 234.696 1.00 0.00 C +ATOM 32 CA SER A 32 249.280 252.019 237.486 1.00 0.00 C +ATOM 33 CA THR A 33 249.947 253.928 240.715 1.00 0.00 C +ATOM 34 CA THR A 34 248.755 252.697 244.118 1.00 0.00 C +ATOM 35 CA GLU A 35 246.168 253.414 246.821 1.00 0.00 C +ATOM 36 CA ASN A 36 243.571 255.349 248.828 1.00 0.00 C +ATOM 37 CA PRO A 37 240.132 253.754 248.445 1.00 0.00 C +ATOM 38 CA GLU A 38 238.340 252.576 251.594 1.00 0.00 C +ATOM 39 CA HIS A 39 235.805 253.143 254.381 1.00 0.00 C +ATOM 40 CA THR A 40 232.860 254.875 256.068 1.00 0.00 C +ATOM 41 CA SER A 41 233.283 258.014 258.187 1.00 0.00 C +ATOM 42 CA GLN A 42 233.597 257.848 261.980 1.00 0.00 C +ATOM 43 CA GLU A 43 231.764 259.927 264.595 1.00 0.00 C +ATOM 44 CA GLU A 44 228.660 262.046 263.972 1.00 0.00 C +ATOM 45 CA THR A 45 225.497 260.026 264.627 1.00 0.00 C +ATOM 46 CA LEU A 46 224.349 258.559 267.951 1.00 0.00 C +ATOM 47 CA HIS A 47 227.098 259.190 270.512 1.00 0.00 C +ATOM 48 CA SER A 48 227.642 262.698 271.894 1.00 0.00 C +ATOM 49 CA THR A 49 227.217 266.399 271.095 1.00 0.00 C +ATOM 50 CA THR A 50 229.390 268.196 273.657 1.00 0.00 C +ATOM 51 CA SER A 51 232.961 267.600 272.468 1.00 0.00 C +ATOM 52 CA GLU A 52 236.378 266.202 273.408 1.00 0.00 C +ATOM 53 CA GLY A 53 238.252 263.990 270.936 1.00 0.00 C +ATOM 54 CA ASN A 54 241.103 264.840 268.556 1.00 0.00 C +ATOM 55 CA PRO A 55 244.125 265.178 266.260 1.00 0.00 C +ATOM 56 CA SER A 56 246.136 266.196 263.189 1.00 0.00 C +ATOM 57 CA PRO A 57 247.720 264.437 260.203 1.00 0.00 C +ATOM 58 CA SER A 58 249.504 261.291 259.005 1.00 0.00 C +ATOM 59 CA GLN A 59 252.687 260.559 257.043 1.00 0.00 C +ATOM 60 CA VAL A 60 254.100 259.565 253.647 1.00 0.00 C +ATOM 61 CA TYR A 61 257.319 260.304 251.748 1.00 0.00 C +ATOM 62 CA THR A 62 258.374 261.732 248.377 1.00 0.00 C +ATOM 63 CA THR A 63 260.434 264.830 247.558 1.00 0.00 C +ATOM 64 CA SER A 64 262.374 264.431 244.304 1.00 0.00 C +ATOM 65 CA LYS A 65 263.477 263.320 240.830 1.00 0.00 C +ATOM 66 CA TYR A 66 261.093 260.571 239.702 1.00 0.00 C +ATOM 67 CA LEU A 67 259.373 260.947 236.322 1.00 0.00 C +ATOM 68 CA SER A 68 259.985 261.260 232.575 1.00 0.00 C +ATOM 69 CA GLN A 69 257.700 259.580 230.031 1.00 0.00 C +ATOM 70 CA SER A 70 255.977 256.183 229.968 1.00 0.00 C +ATOM 71 CA LEU A 71 253.273 254.829 232.286 1.00 0.00 C +ATOM 72 CA SER A 72 254.253 256.166 235.716 1.00 0.00 C +ATOM 73 CA PRO A 73 256.465 255.088 238.625 1.00 0.00 C +ATOM 74 CA SER A 74 257.156 251.393 238.003 1.00 0.00 C +ATOM 75 CA ASN A 75 260.171 250.710 235.776 1.00 0.00 C +ATOM 76 CA THR A 76 261.412 250.943 232.181 1.00 0.00 C +ATOM 77 CA THR A 77 263.650 253.778 230.969 1.00 0.00 C +ATOM 78 CA LYS A 78 264.766 256.523 233.364 1.00 0.00 C +TER 79 LYS A 78 +END diff --git a/Viruses/Q1WIU7/Q1WIU7.dcd b/Viruses/Q1WIU7/Q1WIU7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8b70410f761ab280607ee0282ee0eaa1dc1df732 --- /dev/null +++ b/Viruses/Q1WIU7/Q1WIU7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:29c93306090ad16ea1d6b7b3d78a3549327867f5586249faee0a4532febe49ee +size 10280276 diff --git a/Viruses/Q1WIU7/top.pdb b/Viruses/Q1WIU7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..cf21ceda6dd648431e1679125165a3548ef35b7e --- /dev/null +++ b/Viruses/Q1WIU7/top.pdb @@ -0,0 +1,83 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA THR A 1 238.238 216.458 281.896 1.00 0.00 C +ATOM 2 CA LYS A 2 234.908 214.616 282.088 1.00 0.00 C +ATOM 3 CA PRO A 3 231.722 216.655 282.543 1.00 0.00 C +ATOM 4 CA LYS A 4 229.108 218.674 284.441 1.00 0.00 C +ATOM 5 CA GLU A 5 225.442 218.733 285.479 1.00 0.00 C +ATOM 6 CA ALA A 6 222.410 220.447 283.935 1.00 0.00 C +ATOM 7 CA PRO A 7 222.658 223.625 281.849 1.00 0.00 C +ATOM 8 CA THR A 8 223.916 227.032 282.998 1.00 0.00 C +ATOM 9 CA THR A 9 226.572 229.412 284.339 1.00 0.00 C +ATOM 10 CA LYS A 10 229.466 231.720 285.243 1.00 0.00 C +ATOM 11 CA PRO A 11 232.303 231.454 282.714 1.00 0.00 C +ATOM 12 CA THR A 12 235.229 229.041 283.081 1.00 0.00 C +ATOM 13 CA ASP A 13 238.211 229.524 285.403 1.00 0.00 C +ATOM 14 CA LYS A 14 238.835 231.289 288.722 1.00 0.00 C +ATOM 15 CA PRO A 15 240.766 234.570 288.570 1.00 0.00 C +ATOM 16 CA THR A 16 240.776 236.357 285.205 1.00 0.00 C +ATOM 17 CA ILE A 17 239.975 240.046 284.688 1.00 0.00 C +ATOM 18 CA ASN A 18 241.978 241.148 281.640 1.00 0.00 C +ATOM 19 CA THR A 19 243.667 244.423 280.672 1.00 0.00 C +ATOM 20 CA THR A 20 244.593 247.494 282.726 1.00 0.00 C +ATOM 21 CA LYS A 21 242.053 250.330 282.575 1.00 0.00 C +ATOM 22 CA PRO A 22 239.370 252.095 280.526 1.00 0.00 C +ATOM 23 CA ASN A 23 239.403 254.297 277.417 1.00 0.00 C +ATOM 24 CA ILE A 24 238.598 257.837 276.261 1.00 0.00 C +ATOM 25 CA ARG A 25 238.819 258.859 272.597 1.00 0.00 C +ATOM 26 CA ILE A 26 241.108 257.930 269.697 1.00 0.00 C +ATOM 27 CA THR A 27 243.595 257.549 266.835 1.00 0.00 C +ATOM 28 CA LEU A 28 244.483 255.315 263.879 1.00 0.00 C +ATOM 29 CA LEU A 29 245.794 252.814 261.322 1.00 0.00 C +ATOM 30 CA THR A 30 248.540 253.574 258.793 1.00 0.00 C +ATOM 31 CA ASN A 31 248.501 251.683 255.486 1.00 0.00 C +ATOM 32 CA SER A 32 247.284 252.480 251.964 1.00 0.00 C +ATOM 33 CA THR A 33 248.068 251.480 248.373 1.00 0.00 C +ATOM 34 CA THR A 34 245.724 249.604 246.026 1.00 0.00 C +ATOM 35 CA GLU A 35 243.188 250.753 243.425 1.00 0.00 C +ATOM 36 CA ASN A 36 239.521 251.553 244.079 1.00 0.00 C +ATOM 37 CA PRO A 37 239.043 254.410 246.554 1.00 0.00 C +ATOM 38 CA GLU A 38 241.045 257.352 245.194 1.00 0.00 C +ATOM 39 CA HIS A 39 239.241 259.833 242.934 1.00 0.00 C +ATOM 40 CA THR A 40 241.398 261.960 240.623 1.00 0.00 C +ATOM 41 CA SER A 41 243.648 264.914 239.770 1.00 0.00 C +ATOM 42 CA GLN A 42 242.407 268.095 238.080 1.00 0.00 C +ATOM 43 CA GLU A 43 241.355 271.383 236.468 1.00 0.00 C +ATOM 44 CA GLU A 44 243.115 274.575 235.360 1.00 0.00 C +ATOM 45 CA THR A 45 245.455 277.498 234.650 1.00 0.00 C +ATOM 46 CA LEU A 46 247.708 277.494 231.578 1.00 0.00 C +ATOM 47 CA HIS A 47 248.792 274.321 229.770 1.00 0.00 C +ATOM 48 CA SER A 48 249.633 271.844 232.541 1.00 0.00 C +ATOM 49 CA THR A 49 249.948 269.488 235.519 1.00 0.00 C +ATOM 50 CA SER A 50 249.599 267.098 238.465 1.00 0.00 C +ATOM 51 CA SER A 51 252.832 265.380 239.519 1.00 0.00 C +ATOM 52 CA GLU A 52 256.162 263.784 238.580 1.00 0.00 C +ATOM 53 CA GLY A 53 257.292 260.980 236.261 1.00 0.00 C +ATOM 54 CA ASN A 54 255.512 260.832 232.895 1.00 0.00 C +ATOM 55 CA THR A 55 256.537 263.245 230.131 1.00 0.00 C +ATOM 56 CA SER A 56 259.233 265.700 229.028 1.00 0.00 C +ATOM 57 CA PRO A 57 261.964 263.941 227.037 1.00 0.00 C +ATOM 58 CA SER A 58 263.639 260.521 226.914 1.00 0.00 C +ATOM 59 CA GLN A 59 264.358 257.373 224.893 1.00 0.00 C +ATOM 60 CA ILE A 60 266.448 257.045 221.724 1.00 0.00 C +ATOM 61 CA TYR A 61 266.781 256.623 217.952 1.00 0.00 C +ATOM 62 CA THR A 62 269.576 258.361 216.033 1.00 0.00 C +ATOM 63 CA THR A 63 272.744 257.665 218.032 1.00 0.00 C +ATOM 64 CA SER A 64 272.666 257.856 221.836 1.00 0.00 C +ATOM 65 CA LYS A 65 272.071 257.378 225.569 1.00 0.00 C +ATOM 66 CA TYR A 66 272.562 254.891 228.412 1.00 0.00 C +ATOM 67 CA LEU A 67 273.324 251.575 230.128 1.00 0.00 C +ATOM 68 CA SER A 68 273.600 248.241 231.952 1.00 0.00 C +ATOM 69 CA GLN A 69 270.667 245.990 232.872 1.00 0.00 C +ATOM 70 CA PRO A 70 270.312 242.242 232.291 1.00 0.00 C +ATOM 71 CA PRO A 71 273.232 240.113 231.085 1.00 0.00 C +ATOM 72 CA SER A 72 274.836 241.847 228.095 1.00 0.00 C +ATOM 73 CA PRO A 73 276.224 242.171 224.562 1.00 0.00 C +ATOM 74 CA SER A 74 273.732 244.248 222.564 1.00 0.00 C +ATOM 75 CA ASN A 75 272.784 247.524 220.866 1.00 0.00 C +ATOM 76 CA ILE A 76 271.704 247.472 217.213 1.00 0.00 C +ATOM 77 CA THR A 77 269.922 246.608 213.958 1.00 0.00 C +ATOM 78 CA ASP A 78 267.790 249.631 213.044 1.00 0.00 C +ATOM 79 CA GLN A 79 264.281 249.624 211.560 1.00 0.00 C +TER 80 GLN A 79 +END diff --git a/Viruses/Q1XDV1/Q1XDV1.dcd b/Viruses/Q1XDV1/Q1XDV1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f320204128e595a3775b999d4c0886b594ba5b30 --- /dev/null +++ b/Viruses/Q1XDV1/Q1XDV1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2dd5ff0a69e633372ddf772917b680d27e5c7a640b97671644219e8b45bd67d5 +size 4400276 diff --git a/Viruses/Q1XDV1/top.pdb b/Viruses/Q1XDV1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..cb4c4caf5a859b593e17c3f0555dddb503391e2d --- /dev/null +++ b/Viruses/Q1XDV1/top.pdb @@ -0,0 +1,34 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA PRO A 1 256.556 260.873 268.096 1.00 0.00 C +ATOM 2 CA ALA A 2 253.592 261.629 265.824 1.00 0.00 C +ATOM 3 CA ASN A 3 252.250 259.712 262.818 1.00 0.00 C +ATOM 4 CA PRO A 4 251.941 260.261 259.060 1.00 0.00 C +ATOM 5 CA ASN A 5 251.618 261.366 255.429 1.00 0.00 C +ATOM 6 CA THR A 6 253.361 264.148 253.495 1.00 0.00 C +ATOM 7 CA THR A 7 252.942 263.513 249.762 1.00 0.00 C +ATOM 8 CA VAL A 8 249.286 263.967 248.793 1.00 0.00 C +ATOM 9 CA THR A 9 246.177 261.989 247.823 1.00 0.00 C +ATOM 10 CA THR A 10 244.867 260.243 250.945 1.00 0.00 C +ATOM 11 CA ASN A 11 244.947 257.145 253.162 1.00 0.00 C +ATOM 12 CA GLN A 12 247.664 254.475 253.242 1.00 0.00 C +ATOM 13 CA GLY A 13 249.524 251.913 255.362 1.00 0.00 C +ATOM 14 CA SER A 14 252.861 250.516 254.168 1.00 0.00 C +ATOM 15 CA THR A 15 254.654 247.169 253.857 1.00 0.00 C +ATOM 16 CA THR A 16 253.471 243.757 252.642 1.00 0.00 C +ATOM 17 CA THR A 17 254.348 240.771 250.444 1.00 0.00 C +ATOM 18 CA THR A 18 256.770 238.598 248.463 1.00 0.00 C +ATOM 19 CA LYS A 19 258.222 239.843 245.168 1.00 0.00 C +ATOM 20 CA ALA A 20 257.380 237.920 241.988 1.00 0.00 C +ATOM 21 CA ASN A 21 253.693 238.660 241.380 1.00 0.00 C +ATOM 22 CA THR A 22 250.837 240.874 240.172 1.00 0.00 C +ATOM 23 CA GLY A 23 247.471 239.290 239.350 1.00 0.00 C +ATOM 24 CA SER A 24 244.363 241.479 239.614 1.00 0.00 C +ATOM 25 CA THR A 25 244.670 245.277 239.670 1.00 0.00 C +ATOM 26 CA LEU A 26 246.598 246.781 242.592 1.00 0.00 C +ATOM 27 CA GLU A 27 246.766 244.298 245.476 1.00 0.00 C +ATOM 28 CA GLU A 28 244.387 241.940 247.292 1.00 0.00 C +ATOM 29 CA ASP A 29 240.703 241.488 248.153 1.00 0.00 C +ATOM 30 CA LEU A 30 238.080 240.108 245.760 1.00 0.00 C +TER 31 LEU A 30 +END diff --git a/Viruses/Q1ZYP5/Q1ZYP5.dcd b/Viruses/Q1ZYP5/Q1ZYP5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d1d171e22b0e03721c3c9dbf6e5a1e067df38dd9 --- /dev/null +++ b/Viruses/Q1ZYP5/Q1ZYP5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a14ef72f24578a2878ee68e12b1d292502b9ec4d218d894a96347bedbfba2698 +size 6800276 diff --git a/Viruses/Q1ZYP5/top.pdb b/Viruses/Q1ZYP5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f6e73a9199836c762ef0d11fdb8099d3730da8d0 --- /dev/null +++ b/Viruses/Q1ZYP5/top.pdb @@ -0,0 +1,54 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ARG A 1 262.846 259.047 219.467 1.00 0.00 C +ATOM 2 CA ARG A 2 261.005 261.197 216.917 1.00 0.00 C +ATOM 3 CA GLN A 3 258.318 262.315 214.459 1.00 0.00 C +ATOM 4 CA ARG A 4 255.415 264.691 215.126 1.00 0.00 C +ATOM 5 CA ARG A 5 252.109 265.136 216.967 1.00 0.00 C +ATOM 6 CA SER A 6 248.944 265.736 219.002 1.00 0.00 C +ATOM 7 CA ALA A 7 247.591 265.647 222.562 1.00 0.00 C +ATOM 8 CA PRO A 8 246.070 263.959 225.621 1.00 0.00 C +ATOM 9 CA PRO A 9 247.930 261.860 228.199 1.00 0.00 C +ATOM 10 CA SER A 10 251.689 262.436 228.440 1.00 0.00 C +ATOM 11 CA SER A 11 254.078 260.485 230.677 1.00 0.00 C +ATOM 12 CA GLU A 12 254.001 256.875 231.891 1.00 0.00 C +ATOM 13 CA ASP A 13 254.878 255.738 235.420 1.00 0.00 C +ATOM 14 CA HIS A 14 254.703 252.206 236.839 1.00 0.00 C +ATOM 15 CA GLN A 15 251.463 251.167 238.553 1.00 0.00 C +ATOM 16 CA ASN A 16 251.775 249.941 242.147 1.00 0.00 C +ATOM 17 CA LEU A 17 252.332 251.662 245.500 1.00 0.00 C +ATOM 18 CA VAL A 18 252.569 248.831 248.040 1.00 0.00 C +ATOM 19 CA SER A 19 249.882 246.749 249.762 1.00 0.00 C +ATOM 20 CA LYS A 20 249.448 243.186 251.039 1.00 0.00 C +ATOM 21 CA GLN A 21 247.332 240.083 250.403 1.00 0.00 C +ATOM 22 CA PRO A 22 248.713 237.148 252.402 1.00 0.00 C +ATOM 23 CA LEU A 23 252.428 236.725 253.130 1.00 0.00 C +ATOM 24 CA SER A 24 255.266 239.205 252.569 1.00 0.00 C +ATOM 25 CA GLN A 25 258.774 240.315 251.580 1.00 0.00 C +ATOM 26 CA THR A 26 261.544 240.771 254.156 1.00 0.00 C +ATOM 27 CA ARG A 27 261.035 243.460 256.806 1.00 0.00 C +ATOM 28 CA GLY A 28 260.393 242.268 260.367 1.00 0.00 C +ATOM 29 CA GLY A 29 258.265 242.213 263.527 1.00 0.00 C +ATOM 30 CA PRO A 30 255.498 243.583 265.759 1.00 0.00 C +ATOM 31 CA THR A 31 254.101 240.540 267.577 1.00 0.00 C +ATOM 32 CA GLY A 32 252.807 240.539 271.161 1.00 0.00 C +ATOM 33 CA SER A 33 249.281 241.335 272.365 1.00 0.00 C +ATOM 34 CA LYS A 34 245.897 243.075 272.559 1.00 0.00 C +ATOM 35 CA GLU A 35 243.001 241.895 270.382 1.00 0.00 C +ATOM 36 CA SER A 36 240.565 242.646 267.551 1.00 0.00 C +ATOM 37 CA LYS A 37 241.289 245.031 264.670 1.00 0.00 C +ATOM 38 CA LYS A 38 242.577 245.635 261.135 1.00 0.00 C +ATOM 39 CA LYS A 39 246.105 246.303 259.863 1.00 0.00 C +ATOM 40 CA VAL A 40 249.215 247.113 261.909 1.00 0.00 C +ATOM 41 CA GLU A 41 249.635 246.577 265.658 1.00 0.00 C +ATOM 42 CA SER A 42 250.712 248.432 268.807 1.00 0.00 C +ATOM 43 CA LYS A 43 248.500 251.446 269.540 1.00 0.00 C +ATOM 44 CA THR A 44 244.732 250.939 269.794 1.00 0.00 C +ATOM 45 CA LYS A 45 241.210 252.361 270.092 1.00 0.00 C +ATOM 46 CA THR A 46 237.936 252.927 268.227 1.00 0.00 C +ATOM 47 CA ASP A 47 238.172 253.934 264.560 1.00 0.00 C +ATOM 48 CA GLN A 48 238.374 252.833 260.918 1.00 0.00 C +ATOM 49 CA PHE A 49 234.985 251.559 259.732 1.00 0.00 C +ATOM 50 CA ASP A 50 234.613 250.242 256.176 1.00 0.00 C +TER 51 ASP A 50 +END diff --git a/Viruses/Q20BU0/Q20BU0.dcd b/Viruses/Q20BU0/Q20BU0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..20c7d7a4827ef9794fc06dfed92475ef60aad031 --- /dev/null +++ b/Viruses/Q20BU0/Q20BU0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:01c1b57b6f10af7c9a0430265d35e40041f8018860b637dcbe36512c1876e88f +size 5600276 diff --git a/Viruses/Q20BU0/top.pdb b/Viruses/Q20BU0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2f9599d59dfd4a3e0726bb4fe1c2a462f56bd8b5 --- /dev/null +++ b/Viruses/Q20BU0/top.pdb @@ -0,0 +1,44 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 228.209 237.261 243.543 1.00 0.00 C +ATOM 2 CA GLN A 2 228.763 234.185 245.721 1.00 0.00 C +ATOM 3 CA TRP A 3 227.247 230.754 245.052 1.00 0.00 C +ATOM 4 CA ASN A 4 227.845 227.101 244.149 1.00 0.00 C +ATOM 5 CA SER A 5 231.042 225.719 245.693 1.00 0.00 C +ATOM 6 CA THR A 6 230.987 224.386 249.262 1.00 0.00 C +ATOM 7 CA ILE A 7 231.232 225.632 252.854 1.00 0.00 C +ATOM 8 CA PRO A 8 231.779 226.970 256.379 1.00 0.00 C +ATOM 9 CA ALA A 9 233.159 230.289 257.642 1.00 0.00 C +ATOM 10 CA GLY A 10 232.893 233.777 259.151 1.00 0.00 C +ATOM 11 CA GLY A 11 232.680 237.567 258.820 1.00 0.00 C +ATOM 12 CA SER A 12 230.930 239.967 261.207 1.00 0.00 C +ATOM 13 CA SER A 13 228.639 242.730 262.483 1.00 0.00 C +ATOM 14 CA SER A 14 228.694 246.507 261.981 1.00 0.00 C +ATOM 15 CA GLY A 15 231.675 248.879 262.002 1.00 0.00 C +ATOM 16 CA THR A 16 232.944 252.189 260.603 1.00 0.00 C +ATOM 17 CA VAL A 17 233.981 255.210 258.527 1.00 0.00 C +ATOM 18 CA ASN A 18 236.662 256.724 256.283 1.00 0.00 C +ATOM 19 CA PRO A 19 239.891 258.353 257.482 1.00 0.00 C +ATOM 20 CA VAL A 20 241.248 261.559 255.933 1.00 0.00 C +ATOM 21 CA PRO A 21 244.502 260.967 254.041 1.00 0.00 C +ATOM 22 CA THR A 22 247.974 261.719 252.665 1.00 0.00 C +ATOM 23 CA THR A 23 249.762 260.566 249.505 1.00 0.00 C +ATOM 24 CA ALA A 24 253.557 260.274 249.336 1.00 0.00 C +ATOM 25 CA SER A 25 255.384 259.222 252.510 1.00 0.00 C +ATOM 26 CA PRO A 26 258.888 260.712 252.368 1.00 0.00 C +ATOM 27 CA ILE A 27 260.552 259.731 249.084 1.00 0.00 C +ATOM 28 CA SER A 28 261.525 257.244 246.366 1.00 0.00 C +ATOM 29 CA SER A 29 263.865 257.079 243.364 1.00 0.00 C +ATOM 30 CA ILE A 30 265.265 258.187 239.998 1.00 0.00 C +ATOM 31 CA PHE A 31 268.092 258.889 237.543 1.00 0.00 C +ATOM 32 CA SER A 32 269.495 262.336 238.359 1.00 0.00 C +ATOM 33 CA ARG A 33 272.578 264.462 239.060 1.00 0.00 C +ATOM 34 CA THR A 34 276.278 265.270 239.477 1.00 0.00 C +ATOM 35 CA GLY A 35 278.334 262.863 241.597 1.00 0.00 C +ATOM 36 CA ASP A 36 280.424 259.722 242.129 1.00 0.00 C +ATOM 37 CA PRO A 37 283.734 257.909 241.609 1.00 0.00 C +ATOM 38 CA ALA A 38 287.285 258.363 242.915 1.00 0.00 C +ATOM 39 CA PRO A 39 289.253 258.803 246.147 1.00 0.00 C +ATOM 40 CA ASN A 40 292.752 259.922 247.160 1.00 0.00 C +TER 41 ASN A 40 +END diff --git a/Viruses/Q20BW6/Q20BW6.dcd b/Viruses/Q20BW6/Q20BW6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c365ac069c7dba1ba3eadc1e7a5821fe397e946c --- /dev/null +++ b/Viruses/Q20BW6/Q20BW6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:383dfb6f0258a82bbab15daf7c18bb27b5d5f46d49eb196fe347df7b8f418513 +size 7040276 diff --git a/Viruses/Q20BW6/top.pdb b/Viruses/Q20BW6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..341535fed78fd3c2f46feab9b544a4dea6d4e05a --- /dev/null +++ b/Viruses/Q20BW6/top.pdb @@ -0,0 +1,56 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 237.917 256.091 264.606 1.00 0.00 C +ATOM 2 CA GLN A 2 238.112 253.927 261.476 1.00 0.00 C +ATOM 3 CA TRP A 3 239.039 250.232 261.468 1.00 0.00 C +ATOM 4 CA ASN A 4 236.556 248.439 263.735 1.00 0.00 C +ATOM 5 CA SER A 5 236.579 244.957 265.281 1.00 0.00 C +ATOM 6 CA ILE A 6 238.134 244.271 268.690 1.00 0.00 C +ATOM 7 CA HIS A 7 240.283 243.971 271.822 1.00 0.00 C +ATOM 8 CA PRO A 8 242.106 244.526 275.121 1.00 0.00 C +ATOM 9 CA GLN A 9 245.758 243.765 274.343 1.00 0.00 C +ATOM 10 CA PRO A 10 247.488 243.287 270.983 1.00 0.00 C +ATOM 11 CA MET A 11 247.217 245.817 268.147 1.00 0.00 C +ATOM 12 CA GLN A 12 245.047 246.455 265.081 1.00 0.00 C +ATOM 13 CA TRP A 13 246.389 245.561 261.629 1.00 0.00 C +ATOM 14 CA ASN A 14 244.105 243.491 259.390 1.00 0.00 C +ATOM 15 CA SER A 15 242.890 241.435 256.422 1.00 0.00 C +ATOM 16 CA THR A 16 239.683 243.022 255.115 1.00 0.00 C +ATOM 17 CA THR A 17 237.118 242.918 252.300 1.00 0.00 C +ATOM 18 CA PHE A 18 235.414 240.124 250.349 1.00 0.00 C +ATOM 19 CA HIS A 19 236.643 239.368 246.823 1.00 0.00 C +ATOM 20 CA GLN A 20 239.050 242.195 245.971 1.00 0.00 C +ATOM 21 CA ALA A 21 241.542 244.094 248.139 1.00 0.00 C +ATOM 22 CA LEU A 22 243.307 247.121 249.635 1.00 0.00 C +ATOM 23 CA PRO A 23 246.213 247.659 252.039 1.00 0.00 C +ATOM 24 CA ALA A 24 245.375 248.553 255.647 1.00 0.00 C +ATOM 25 CA GLY A 25 244.396 251.085 258.320 1.00 0.00 C +ATOM 26 CA GLY A 26 243.710 254.792 258.874 1.00 0.00 C +ATOM 27 CA SER A 27 246.658 257.164 258.430 1.00 0.00 C +ATOM 28 CA SER A 28 249.488 259.434 257.266 1.00 0.00 C +ATOM 29 CA SER A 29 252.903 259.309 255.580 1.00 0.00 C +ATOM 30 CA GLY A 30 255.392 257.626 257.923 1.00 0.00 C +ATOM 31 CA THR A 31 254.509 253.930 258.189 1.00 0.00 C +ATOM 32 CA VAL A 32 251.847 251.699 256.622 1.00 0.00 C +ATOM 33 CA ASN A 33 251.946 249.592 253.450 1.00 0.00 C +ATOM 34 CA PRO A 34 255.129 247.744 252.463 1.00 0.00 C +ATOM 35 CA VAL A 35 256.251 248.189 248.849 1.00 0.00 C +ATOM 36 CA PRO A 36 257.722 245.246 246.927 1.00 0.00 C +ATOM 37 CA THR A 37 260.070 243.301 244.642 1.00 0.00 C +ATOM 38 CA THR A 38 262.476 244.275 241.853 1.00 0.00 C +ATOM 39 CA ALA A 39 260.818 245.415 238.618 1.00 0.00 C +ATOM 40 CA SER A 40 262.394 248.698 237.497 1.00 0.00 C +ATOM 41 CA PRO A 41 260.294 250.622 234.966 1.00 0.00 C +ATOM 42 CA ILE A 42 262.718 251.454 232.147 1.00 0.00 C +ATOM 43 CA SER A 43 263.662 251.670 228.462 1.00 0.00 C +ATOM 44 CA SER A 44 264.223 255.225 227.211 1.00 0.00 C +ATOM 45 CA VAL A 45 264.968 255.631 223.497 1.00 0.00 C +ATOM 46 CA PHE A 46 266.524 258.004 220.954 1.00 0.00 C +ATOM 47 CA SER A 47 265.624 261.477 222.239 1.00 0.00 C +ATOM 48 CA ARG A 48 262.655 263.146 223.947 1.00 0.00 C +ATOM 49 CA THR A 49 261.503 264.718 227.220 1.00 0.00 C +ATOM 50 CA GLY A 50 259.149 262.227 228.884 1.00 0.00 C +ATOM 51 CA GLU A 51 257.227 259.059 229.770 1.00 0.00 C +ATOM 52 CA PRO A 52 253.780 257.984 230.988 1.00 0.00 C +TER 53 PRO A 52 +END diff --git a/Viruses/Q20HY6/Q20HY6.dcd b/Viruses/Q20HY6/Q20HY6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..372bab4f7aac17152523cafa29c1998907dbe933 --- /dev/null +++ b/Viruses/Q20HY6/Q20HY6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4eb988a1b45cb78509ddd02d592ba2338454fef3ff7321c8833fdee77b1713f0 +size 18800276 diff --git a/Viruses/Q20HY6/top.pdb b/Viruses/Q20HY6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..467b457e0bc3a31764ac6148850603d37335992a --- /dev/null +++ b/Viruses/Q20HY6/top.pdb @@ -0,0 +1,154 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 251.173 274.944 276.972 1.00 0.00 C +ATOM 2 CA GLU A 2 252.204 277.583 274.424 1.00 0.00 C +ATOM 3 CA THR A 3 255.399 279.658 274.376 1.00 0.00 C +ATOM 4 CA PRO A 4 258.604 279.990 272.343 1.00 0.00 C +ATOM 5 CA MET A 5 259.808 279.542 268.756 1.00 0.00 C +ATOM 6 CA GLU A 6 260.880 279.135 265.123 1.00 0.00 C +ATOM 7 CA THR A 7 264.250 280.660 264.209 1.00 0.00 C +ATOM 8 CA ASP A 8 267.603 281.895 265.533 1.00 0.00 C +ATOM 9 CA ALA A 9 267.225 285.670 265.887 1.00 0.00 C +ATOM 10 CA GLY A 10 268.959 288.499 267.760 1.00 0.00 C +ATOM 11 CA PRO A 11 272.744 288.431 267.329 1.00 0.00 C +ATOM 12 CA GLY A 12 274.831 291.618 267.301 1.00 0.00 C +ATOM 13 CA ALA A 13 274.350 295.143 268.663 1.00 0.00 C +ATOM 14 CA THR A 14 276.727 297.058 270.943 1.00 0.00 C +ATOM 15 CA PRO A 15 279.869 296.430 273.004 1.00 0.00 C +ATOM 16 CA VAL A 16 283.656 296.767 272.764 1.00 0.00 C +ATOM 17 CA GLY A 17 287.062 296.045 274.312 1.00 0.00 C +ATOM 18 CA SER A 18 289.673 295.944 277.085 1.00 0.00 C +ATOM 19 CA GLU A 19 289.290 297.644 280.473 1.00 0.00 C +ATOM 20 CA THR A 20 286.420 296.558 282.732 1.00 0.00 C +ATOM 21 CA SER A 21 285.411 292.894 282.470 1.00 0.00 C +ATOM 22 CA ASN A 22 286.161 290.988 285.683 1.00 0.00 C +ATOM 23 CA SER A 23 285.382 287.268 285.415 1.00 0.00 C +ATOM 24 CA SER A 24 285.554 284.282 287.775 1.00 0.00 C +ATOM 25 CA PRO A 25 282.601 282.061 286.845 1.00 0.00 C +ATOM 26 CA GLN A 26 278.817 281.702 287.105 1.00 0.00 C +ATOM 27 CA PRO A 27 276.037 282.907 284.795 1.00 0.00 C +ATOM 28 CA PRO A 28 274.600 279.978 282.826 1.00 0.00 C +ATOM 29 CA THR A 29 271.117 278.975 284.001 1.00 0.00 C +ATOM 30 CA PRO A 30 271.206 275.239 284.740 1.00 0.00 C +ATOM 31 CA GLY A 31 268.747 273.442 282.449 1.00 0.00 C +ATOM 32 CA ARG A 32 266.116 272.336 279.925 1.00 0.00 C +ATOM 33 CA SER A 33 266.185 270.352 276.674 1.00 0.00 C +ATOM 34 CA PRO A 34 267.749 266.880 276.558 1.00 0.00 C +ATOM 35 CA GLY A 35 267.205 264.254 279.265 1.00 0.00 C +ATOM 36 CA ALA A 36 270.420 262.214 279.394 1.00 0.00 C +ATOM 37 CA PRO A 37 269.979 258.514 278.601 1.00 0.00 C +ATOM 38 CA GLN A 38 270.718 254.839 279.286 1.00 0.00 C +ATOM 39 CA GLU A 39 268.613 251.701 278.798 1.00 0.00 C +ATOM 40 CA GLN A 40 265.029 252.095 280.031 1.00 0.00 C +ATOM 41 CA PRO A 41 262.290 251.228 282.533 1.00 0.00 C +ATOM 42 CA ALA A 42 259.982 248.596 284.038 1.00 0.00 C +ATOM 43 CA ALA A 43 256.736 247.015 285.256 1.00 0.00 C +ATOM 44 CA GLU A 44 255.362 243.907 283.533 1.00 0.00 C +ATOM 45 CA GLY A 45 254.187 240.294 283.247 1.00 0.00 C +ATOM 46 CA GLY A 46 253.259 239.216 279.713 1.00 0.00 C +ATOM 47 CA ASN A 47 255.339 240.372 276.737 1.00 0.00 C +ATOM 48 CA THR A 48 255.973 240.896 273.017 1.00 0.00 C +ATOM 49 CA ASP A 49 252.536 241.280 271.417 1.00 0.00 C +ATOM 50 CA HIS A 50 250.758 242.772 268.395 1.00 0.00 C +ATOM 51 CA GLY A 51 251.916 244.561 265.237 1.00 0.00 C +ATOM 52 CA ALA A 52 254.936 246.881 265.117 1.00 0.00 C +ATOM 53 CA THR A 53 254.992 249.262 268.091 1.00 0.00 C +ATOM 54 CA PRO A 54 252.460 250.499 270.655 1.00 0.00 C +ATOM 55 CA THR A 55 254.057 253.194 272.824 1.00 0.00 C +ATOM 56 CA ALA A 56 257.330 252.664 274.701 1.00 0.00 C +ATOM 57 CA THR A 57 260.573 252.821 272.707 1.00 0.00 C +ATOM 58 CA PRO A 58 263.891 251.608 271.283 1.00 0.00 C +ATOM 59 CA SER A 59 267.166 251.355 269.351 1.00 0.00 C +ATOM 60 CA SER A 60 266.290 251.409 265.644 1.00 0.00 C +ATOM 61 CA SER A 61 266.509 247.885 264.213 1.00 0.00 C +ATOM 62 CA GLU A 62 266.969 245.477 261.296 1.00 0.00 C +ATOM 63 CA THR A 63 265.683 246.344 257.816 1.00 0.00 C +ATOM 64 CA THR A 64 261.925 246.336 257.187 1.00 0.00 C +ATOM 65 CA SER A 65 259.258 244.535 255.148 1.00 0.00 C +ATOM 66 CA ARG A 66 258.280 241.018 256.239 1.00 0.00 C +ATOM 67 CA PRO A 67 256.278 238.648 254.027 1.00 0.00 C +ATOM 68 CA LYS A 68 256.679 238.166 250.269 1.00 0.00 C +ATOM 69 CA ALA A 69 254.273 240.371 248.304 1.00 0.00 C +ATOM 70 CA ASP A 70 254.798 239.877 244.563 1.00 0.00 C +ATOM 71 CA ALA A 71 253.764 236.676 242.774 1.00 0.00 C +ATOM 72 CA VAL A 72 251.320 234.611 244.843 1.00 0.00 C +ATOM 73 CA SER A 73 248.528 232.262 245.937 1.00 0.00 C +ATOM 74 CA THR A 74 246.302 233.863 248.582 1.00 0.00 C +ATOM 75 CA SER A 75 242.717 233.772 249.870 1.00 0.00 C +ATOM 76 CA THR A 76 242.470 235.122 253.424 1.00 0.00 C +ATOM 77 CA ASP A 77 242.842 238.410 255.313 1.00 0.00 C +ATOM 78 CA GLY A 78 244.345 241.891 255.693 1.00 0.00 C +ATOM 79 CA ARG A 79 246.233 243.500 258.585 1.00 0.00 C +ATOM 80 CA THR A 80 247.697 246.757 259.914 1.00 0.00 C +ATOM 81 CA THR A 81 251.087 247.885 258.592 1.00 0.00 C +ATOM 82 CA SER A 82 253.781 250.579 258.580 1.00 0.00 C +ATOM 83 CA GLU A 83 253.827 252.742 255.443 1.00 0.00 C +ATOM 84 CA THR A 84 251.975 254.370 252.539 1.00 0.00 C +ATOM 85 CA LEU A 85 249.740 256.052 249.952 1.00 0.00 C +ATOM 86 CA THR A 86 246.367 254.324 249.560 1.00 0.00 C +ATOM 87 CA PRO A 87 242.595 254.069 250.032 1.00 0.00 C +ATOM 88 CA GLN A 88 241.693 253.190 253.628 1.00 0.00 C +ATOM 89 CA SER A 89 243.540 250.725 255.871 1.00 0.00 C +ATOM 90 CA SER A 90 244.958 248.034 253.576 1.00 0.00 C +ATOM 91 CA PRO A 91 245.933 247.798 249.900 1.00 0.00 C +ATOM 92 CA SER A 92 246.234 248.550 246.177 1.00 0.00 C +ATOM 93 CA ASN A 93 244.068 249.971 243.384 1.00 0.00 C +ATOM 94 CA ILE A 94 241.870 248.240 240.798 1.00 0.00 C +ATOM 95 CA ASP A 95 241.157 247.975 237.064 1.00 0.00 C +ATOM 96 CA SER A 96 241.039 246.578 233.521 1.00 0.00 C +ATOM 97 CA PRO A 97 242.514 249.193 231.175 1.00 0.00 C +ATOM 98 CA PRO A 98 246.148 249.646 230.123 1.00 0.00 C +ATOM 99 CA SER A 99 246.874 251.766 227.042 1.00 0.00 C +ATOM 100 CA SER A 100 248.672 252.962 223.903 1.00 0.00 C +ATOM 101 CA PRO A 101 246.907 252.090 220.641 1.00 0.00 C +ATOM 102 CA ASP A 102 245.097 248.737 220.633 1.00 0.00 C +ATOM 103 CA LEU A 103 241.794 247.236 219.468 1.00 0.00 C +ATOM 104 CA HIS A 104 238.262 245.810 219.547 1.00 0.00 C +ATOM 105 CA ASP A 105 235.515 247.786 221.298 1.00 0.00 C +ATOM 106 CA LEU A 106 232.881 250.479 221.867 1.00 0.00 C +ATOM 107 CA PRO A 107 229.512 250.914 223.593 1.00 0.00 C +ATOM 108 CA ALA A 108 228.851 251.343 227.321 1.00 0.00 C +ATOM 109 CA PRO A 109 225.584 252.987 228.389 1.00 0.00 C +ATOM 110 CA SER A 110 222.149 254.250 229.448 1.00 0.00 C +ATOM 111 CA TYR A 111 219.084 251.988 229.480 1.00 0.00 C +ATOM 112 CA GLU A 112 216.925 249.694 231.624 1.00 0.00 C +ATOM 113 CA GLY A 113 217.322 246.610 233.826 1.00 0.00 C +ATOM 114 CA SER A 114 219.952 243.903 233.306 1.00 0.00 C +ATOM 115 CA CYS A 115 222.856 241.993 234.865 1.00 0.00 C +ATOM 116 CA THR A 116 226.161 241.225 233.132 1.00 0.00 C +ATOM 117 CA CYS A 117 229.874 240.501 233.585 1.00 0.00 C +ATOM 118 CA THR A 118 231.359 240.386 237.092 1.00 0.00 C +ATOM 119 CA PHE A 119 232.854 243.179 239.209 1.00 0.00 C +ATOM 120 CA SER A 120 236.507 243.452 238.162 1.00 0.00 C +ATOM 121 CA LEU A 121 238.712 240.400 237.581 1.00 0.00 C +ATOM 122 CA ARG A 122 236.573 237.307 236.974 1.00 0.00 C +ATOM 123 CA ALA A 123 237.904 234.874 234.361 1.00 0.00 C +ATOM 124 CA SER A 124 236.112 232.915 231.629 1.00 0.00 C +ATOM 125 CA TYR A 125 233.243 232.643 229.137 1.00 0.00 C +ATOM 126 CA ASP A 126 231.319 233.135 225.885 1.00 0.00 C +ATOM 127 CA GLY A 127 229.268 232.095 222.847 1.00 0.00 C +ATOM 128 CA ARG A 128 227.078 229.016 222.356 1.00 0.00 C +ATOM 129 CA ASP A 129 226.545 228.403 218.633 1.00 0.00 C +ATOM 130 CA HIS A 130 223.702 225.994 217.840 1.00 0.00 C +ATOM 131 CA SER A 131 224.669 223.251 215.380 1.00 0.00 C +ATOM 132 CA TYR A 132 223.945 224.067 211.729 1.00 0.00 C +ATOM 133 CA ARG A 133 225.670 223.357 208.407 1.00 0.00 C +ATOM 134 CA PRO A 134 225.631 220.151 206.348 1.00 0.00 C +ATOM 135 CA ARG A 135 224.799 216.755 204.835 1.00 0.00 C +ATOM 136 CA ASN A 136 222.712 215.348 201.974 1.00 0.00 C +ATOM 137 CA PRO A 137 223.817 216.135 198.414 1.00 0.00 C +ATOM 138 CA PRO A 138 225.258 217.656 195.231 1.00 0.00 C +ATOM 139 CA GLU A 139 227.886 215.139 194.102 1.00 0.00 C +ATOM 140 CA THR A 140 231.641 215.321 194.721 1.00 0.00 C +ATOM 141 CA PRO A 141 232.931 214.100 198.092 1.00 0.00 C +ATOM 142 CA ALA A 142 230.346 211.823 199.721 1.00 0.00 C +ATOM 143 CA ARG A 143 230.693 210.670 203.336 1.00 0.00 C +ATOM 144 CA THR A 144 229.584 207.975 205.790 1.00 0.00 C +ATOM 145 CA SER A 145 228.451 206.107 208.912 1.00 0.00 C +ATOM 146 CA ARG A 146 230.347 203.788 211.266 1.00 0.00 C +ATOM 147 CA SER A 147 231.460 203.020 214.828 1.00 0.00 C +ATOM 148 CA ARG A 148 230.414 200.512 217.499 1.00 0.00 C +ATOM 149 CA ALA A 149 226.732 199.939 218.293 1.00 0.00 C +ATOM 150 CA THR A 150 223.760 201.404 216.413 1.00 0.00 C +TER 151 THR A 150 +END diff --git a/Viruses/Q27Q61/Q27Q61.dcd b/Viruses/Q27Q61/Q27Q61.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8b22def0b7bbcbc1ebc766089d106f1d3a5f2477 --- /dev/null +++ b/Viruses/Q27Q61/Q27Q61.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f7085554a4dc7c7eee685559c0b996cadb93c32ba19b423f8cfd12ddaac55d3b +size 6920276 diff --git a/Viruses/Q27Q61/top.pdb b/Viruses/Q27Q61/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0cc562622a1dc7272471ed8811309feee8b348c7 --- /dev/null +++ b/Viruses/Q27Q61/top.pdb @@ -0,0 +1,55 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ARG A 1 276.310 247.213 264.288 1.00 0.00 C +ATOM 2 CA ARG A 2 272.696 248.085 265.121 1.00 0.00 C +ATOM 3 CA GLN A 3 271.745 248.933 268.711 1.00 0.00 C +ATOM 4 CA ARG A 4 268.382 247.359 269.565 1.00 0.00 C +ATOM 5 CA ARG A 5 265.051 249.174 269.918 1.00 0.00 C +ATOM 6 CA ARG A 6 261.785 250.864 268.923 1.00 0.00 C +ATOM 7 CA SER A 7 260.567 253.933 270.825 1.00 0.00 C +ATOM 8 CA ALA A 8 259.322 257.255 272.213 1.00 0.00 C +ATOM 9 CA PRO A 9 256.246 258.628 273.993 1.00 0.00 C +ATOM 10 CA PRO A 10 252.878 257.219 275.083 1.00 0.00 C +ATOM 11 CA SER A 11 250.145 257.532 272.447 1.00 0.00 C +ATOM 12 CA SER A 12 250.837 259.118 269.052 1.00 0.00 C +ATOM 13 CA GLU A 13 253.529 258.639 266.399 1.00 0.00 C +ATOM 14 CA ASP A 14 256.787 256.983 265.321 1.00 0.00 C +ATOM 15 CA HIS A 15 257.580 253.509 263.973 1.00 0.00 C +ATOM 16 CA GLN A 16 255.976 253.435 260.518 1.00 0.00 C +ATOM 17 CA ASN A 17 253.934 252.759 257.373 1.00 0.00 C +ATOM 18 CA PRO A 18 255.244 254.448 254.220 1.00 0.00 C +ATOM 19 CA ILE A 19 257.123 253.342 251.095 1.00 0.00 C +ATOM 20 CA SER A 20 258.455 252.357 247.664 1.00 0.00 C +ATOM 21 CA LYS A 21 259.364 250.351 244.555 1.00 0.00 C +ATOM 22 CA GLN A 22 256.209 250.009 242.447 1.00 0.00 C +ATOM 23 CA PRO A 23 255.443 252.394 239.576 1.00 0.00 C +ATOM 24 CA LEU A 24 256.312 251.124 236.091 1.00 0.00 C +ATOM 25 CA PRO A 25 253.439 249.267 234.413 1.00 0.00 C +ATOM 26 CA GLN A 26 250.487 246.904 234.874 1.00 0.00 C +ATOM 27 CA THR A 27 248.160 244.526 233.017 1.00 0.00 C +ATOM 28 CA ARG A 28 244.716 246.103 232.610 1.00 0.00 C +ATOM 29 CA GLY A 29 242.327 243.726 230.833 1.00 0.00 C +ATOM 30 CA ASP A 30 239.664 242.395 228.455 1.00 0.00 C +ATOM 31 CA GLN A 31 235.871 242.678 228.670 1.00 0.00 C +ATOM 32 CA THR A 32 234.002 243.625 231.853 1.00 0.00 C +ATOM 33 CA GLY A 33 235.936 244.774 234.928 1.00 0.00 C +ATOM 34 CA SER A 34 235.485 248.495 235.608 1.00 0.00 C +ATOM 35 CA GLU A 35 237.843 250.763 237.559 1.00 0.00 C +ATOM 36 CA GLU A 36 241.309 252.163 236.822 1.00 0.00 C +ATOM 37 CA SER A 37 244.623 254.027 236.571 1.00 0.00 C +ATOM 38 CA LYS A 38 247.599 252.391 238.298 1.00 0.00 C +ATOM 39 CA LYS A 39 248.333 252.625 242.029 1.00 0.00 C +ATOM 40 CA LYS A 40 247.066 250.674 245.046 1.00 0.00 C +ATOM 41 CA VAL A 41 245.405 247.373 244.118 1.00 0.00 C +ATOM 42 CA GLU A 42 243.259 246.218 241.189 1.00 0.00 C +ATOM 43 CA SER A 43 240.162 244.447 239.854 1.00 0.00 C +ATOM 44 CA LYS A 44 237.670 242.983 242.337 1.00 0.00 C +ATOM 45 CA THR A 45 234.593 245.188 242.764 1.00 0.00 C +ATOM 46 CA LYS A 46 234.153 247.045 246.062 1.00 0.00 C +ATOM 47 CA THR A 47 236.505 248.836 248.465 1.00 0.00 C +ATOM 48 CA ASN A 48 238.308 249.498 251.755 1.00 0.00 C +ATOM 49 CA PRO A 49 240.925 248.109 254.152 1.00 0.00 C +ATOM 50 CA GLY A 50 243.970 246.159 252.954 1.00 0.00 C +ATOM 51 CA ASP A 51 246.272 244.346 255.390 1.00 0.00 C +TER 52 ASP A 51 +END diff --git a/Viruses/Q27Q66/Q27Q66.dcd b/Viruses/Q27Q66/Q27Q66.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b43b7caa66aa611aff2e957c38539cd0f376a250 --- /dev/null +++ b/Viruses/Q27Q66/Q27Q66.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5948e95dfab45f132c149f546e9ef634f1e4a26ca6eda0753f27b02488e3ff95 +size 6920276 diff --git a/Viruses/Q27Q66/top.pdb b/Viruses/Q27Q66/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2ea16f2d0c2a47e2681313126820707faf35674b --- /dev/null +++ b/Viruses/Q27Q66/top.pdb @@ -0,0 +1,55 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ARG A 1 245.980 245.450 254.304 1.00 0.00 C +ATOM 2 CA ARG A 2 247.610 244.458 257.602 1.00 0.00 C +ATOM 3 CA GLN A 3 251.154 243.067 257.476 1.00 0.00 C +ATOM 4 CA ARG A 4 251.714 239.753 259.270 1.00 0.00 C +ATOM 5 CA ARG A 5 251.262 238.611 262.877 1.00 0.00 C +ATOM 6 CA ARG A 6 248.397 236.252 263.738 1.00 0.00 C +ATOM 7 CA THR A 7 245.493 234.164 265.051 1.00 0.00 C +ATOM 8 CA PRO A 8 242.177 235.236 263.511 1.00 0.00 C +ATOM 9 CA PRO A 9 242.385 239.024 263.158 1.00 0.00 C +ATOM 10 CA SER A 10 241.972 242.684 262.183 1.00 0.00 C +ATOM 11 CA ARG A 11 239.569 245.154 263.807 1.00 0.00 C +ATOM 12 CA GLU A 12 236.021 244.695 265.118 1.00 0.00 C +ATOM 13 CA ASP A 13 232.656 243.574 263.726 1.00 0.00 C +ATOM 14 CA HIS A 14 232.374 244.408 260.019 1.00 0.00 C +ATOM 15 CA GLN A 15 229.704 243.471 257.468 1.00 0.00 C +ATOM 16 CA ASP A 16 230.879 245.084 254.223 1.00 0.00 C +ATOM 17 CA LEU A 17 234.013 247.151 254.871 1.00 0.00 C +ATOM 18 CA VAL A 18 237.768 247.199 254.224 1.00 0.00 C +ATOM 19 CA SER A 19 238.417 244.552 251.561 1.00 0.00 C +ATOM 20 CA LYS A 20 240.791 244.375 248.586 1.00 0.00 C +ATOM 21 CA GLN A 21 243.787 244.079 246.251 1.00 0.00 C +ATOM 22 CA PRO A 22 245.106 247.554 245.413 1.00 0.00 C +ATOM 23 CA LEU A 23 244.064 249.855 242.561 1.00 0.00 C +ATOM 24 CA PRO A 24 247.180 251.524 241.139 1.00 0.00 C +ATOM 25 CA GLN A 25 249.828 253.698 239.472 1.00 0.00 C +ATOM 26 CA THR A 26 252.131 254.972 242.226 1.00 0.00 C +ATOM 27 CA ARG A 27 252.379 257.633 244.942 1.00 0.00 C +ATOM 28 CA GLY A 28 250.415 260.870 245.374 1.00 0.00 C +ATOM 29 CA ASN A 29 249.349 264.521 245.591 1.00 0.00 C +ATOM 30 CA SER A 30 249.122 267.611 247.808 1.00 0.00 C +ATOM 31 CA THR A 31 247.535 267.370 251.263 1.00 0.00 C +ATOM 32 CA GLY A 32 246.792 266.143 254.793 1.00 0.00 C +ATOM 33 CA SER A 33 249.205 265.596 257.690 1.00 0.00 C +ATOM 34 CA GLU A 34 251.347 262.513 257.043 1.00 0.00 C +ATOM 35 CA GLU A 35 255.124 262.246 257.468 1.00 0.00 C +ATOM 36 CA SER A 36 258.038 261.573 255.108 1.00 0.00 C +ATOM 37 CA LYS A 37 259.181 258.626 252.980 1.00 0.00 C +ATOM 38 CA LYS A 38 260.438 258.048 249.430 1.00 0.00 C +ATOM 39 CA LYS A 39 262.493 257.375 246.293 1.00 0.00 C +ATOM 40 CA VAL A 40 260.603 257.930 243.032 1.00 0.00 C +ATOM 41 CA GLU A 41 262.938 259.074 240.247 1.00 0.00 C +ATOM 42 CA SER A 42 265.749 256.631 239.443 1.00 0.00 C +ATOM 43 CA LYS A 43 267.760 253.565 240.479 1.00 0.00 C +ATOM 44 CA THR A 44 268.603 249.945 239.639 1.00 0.00 C +ATOM 45 CA GLU A 45 268.562 246.427 238.177 1.00 0.00 C +ATOM 46 CA ALA A 46 267.344 245.868 234.611 1.00 0.00 C +ATOM 47 CA ASP A 47 264.523 247.588 232.713 1.00 0.00 C +ATOM 48 CA PRO A 48 261.708 245.205 231.758 1.00 0.00 C +ATOM 49 CA PHE A 49 258.244 245.190 233.345 1.00 0.00 C +ATOM 50 CA ASP A 50 255.611 242.608 234.306 1.00 0.00 C +ATOM 51 CA TRP A 51 254.510 239.801 236.634 1.00 0.00 C +TER 52 TRP A 51 +END diff --git a/Viruses/Q27Q71/Q27Q71.dcd b/Viruses/Q27Q71/Q27Q71.dcd new file mode 100644 index 0000000000000000000000000000000000000000..527eb8fa6b419c4bcb308b4c19f2da83ff0cd0fa --- /dev/null +++ b/Viruses/Q27Q71/Q27Q71.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:00c51802d9eaa899e535a134a373e5930ebb56db34a2cd61aa7b061f6a82b63d +size 6800276 diff --git a/Viruses/Q27Q71/top.pdb b/Viruses/Q27Q71/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ec0a33c1913631b1e8bd2cd2579c8eda9d6c5e6f --- /dev/null +++ b/Viruses/Q27Q71/top.pdb @@ -0,0 +1,54 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ARG A 1 222.351 256.234 218.362 1.00 0.00 C +ATOM 2 CA ARG A 2 221.559 255.945 222.077 1.00 0.00 C +ATOM 3 CA GLN A 3 219.835 254.849 225.293 1.00 0.00 C +ATOM 4 CA ARG A 4 221.539 253.025 228.171 1.00 0.00 C +ATOM 5 CA ARG A 5 223.206 254.793 231.106 1.00 0.00 C +ATOM 6 CA SER A 6 222.735 257.422 233.823 1.00 0.00 C +ATOM 7 CA ALA A 7 225.522 258.006 236.355 1.00 0.00 C +ATOM 8 CA PRO A 8 229.153 256.961 236.848 1.00 0.00 C +ATOM 9 CA PRO A 9 229.426 254.017 239.251 1.00 0.00 C +ATOM 10 CA SER A 10 230.710 250.854 237.559 1.00 0.00 C +ATOM 11 CA SER A 11 234.020 249.166 238.401 1.00 0.00 C +ATOM 12 CA GLU A 12 236.352 246.810 236.525 1.00 0.00 C +ATOM 13 CA ASP A 13 239.893 245.550 237.151 1.00 0.00 C +ATOM 14 CA HIS A 14 241.511 243.568 234.328 1.00 0.00 C +ATOM 15 CA GLN A 15 243.419 240.320 234.896 1.00 0.00 C +ATOM 16 CA ASN A 16 244.842 237.712 237.282 1.00 0.00 C +ATOM 17 CA SER A 17 246.488 234.277 237.378 1.00 0.00 C +ATOM 18 CA ILE A 18 246.728 233.106 240.995 1.00 0.00 C +ATOM 19 CA SER A 19 248.429 232.062 244.240 1.00 0.00 C +ATOM 20 CA LYS A 20 248.950 234.807 246.831 1.00 0.00 C +ATOM 21 CA GLN A 21 251.132 233.158 249.485 1.00 0.00 C +ATOM 22 CA PRO A 22 253.051 234.859 252.302 1.00 0.00 C +ATOM 23 CA LEU A 23 255.370 237.079 254.355 1.00 0.00 C +ATOM 24 CA SER A 24 258.648 235.522 255.514 1.00 0.00 C +ATOM 25 CA GLN A 25 257.813 232.951 258.198 1.00 0.00 C +ATOM 26 CA THR A 26 258.960 233.676 261.758 1.00 0.00 C +ATOM 27 CA ARG A 27 258.745 237.060 263.495 1.00 0.00 C +ATOM 28 CA GLY A 28 260.819 240.081 262.449 1.00 0.00 C +ATOM 29 CA ASP A 29 261.824 243.753 262.317 1.00 0.00 C +ATOM 30 CA PRO A 30 263.190 246.945 263.886 1.00 0.00 C +ATOM 31 CA THR A 31 261.453 250.308 264.330 1.00 0.00 C +ATOM 32 CA GLY A 32 258.736 252.950 264.716 1.00 0.00 C +ATOM 33 CA PRO A 33 256.818 256.102 265.665 1.00 0.00 C +ATOM 34 CA GLU A 34 259.316 258.776 266.726 1.00 0.00 C +ATOM 35 CA GLU A 35 262.063 259.167 269.338 1.00 0.00 C +ATOM 36 CA SER A 36 263.356 260.773 272.541 1.00 0.00 C +ATOM 37 CA LYS A 37 263.741 264.533 272.057 1.00 0.00 C +ATOM 38 CA LYS A 38 265.044 267.964 271.035 1.00 0.00 C +ATOM 39 CA LYS A 39 266.931 267.910 267.725 1.00 0.00 C +ATOM 40 CA VAL A 40 265.550 266.945 264.308 1.00 0.00 C +ATOM 41 CA GLU A 41 265.266 263.757 262.241 1.00 0.00 C +ATOM 42 CA SER A 42 265.627 260.580 260.170 1.00 0.00 C +ATOM 43 CA LYS A 43 264.322 257.821 257.890 1.00 0.00 C +ATOM 44 CA THR A 44 264.033 255.382 254.977 1.00 0.00 C +ATOM 45 CA LYS A 45 261.327 252.989 253.766 1.00 0.00 C +ATOM 46 CA THR A 46 261.576 251.495 250.270 1.00 0.00 C +ATOM 47 CA ASP A 47 261.414 253.955 247.365 1.00 0.00 C +ATOM 48 CA PRO A 48 261.725 257.440 248.872 1.00 0.00 C +ATOM 49 CA ARG A 49 258.674 258.178 251.031 1.00 0.00 C +ATOM 50 CA ASP A 50 256.808 258.404 254.345 1.00 0.00 C +TER 51 ASP A 50 +END diff --git a/Viruses/Q27Q76/Q27Q76.dcd b/Viruses/Q27Q76/Q27Q76.dcd new file mode 100644 index 0000000000000000000000000000000000000000..93e87af97b3b4be766393fccb560740a9d600bce --- /dev/null +++ b/Viruses/Q27Q76/Q27Q76.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c862a9b7239fcc701ee9a48858c388700aae657b309f269d186d919fde138176 +size 6800276 diff --git a/Viruses/Q27Q76/top.pdb b/Viruses/Q27Q76/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..81665517061dd03092db05d0392ca600f03c926a --- /dev/null +++ b/Viruses/Q27Q76/top.pdb @@ -0,0 +1,54 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ARG A 1 229.287 243.745 252.680 1.00 0.00 C +ATOM 2 CA ARG A 2 232.202 245.562 251.030 1.00 0.00 C +ATOM 3 CA GLN A 3 235.770 246.729 250.383 1.00 0.00 C +ATOM 4 CA ARG A 4 239.210 246.957 248.760 1.00 0.00 C +ATOM 5 CA ARG A 5 242.392 245.621 247.147 1.00 0.00 C +ATOM 6 CA SER A 6 242.855 247.304 243.761 1.00 0.00 C +ATOM 7 CA THR A 7 240.092 248.644 241.506 1.00 0.00 C +ATOM 8 CA PRO A 8 237.009 249.025 239.300 1.00 0.00 C +ATOM 9 CA PRO A 9 234.482 246.450 238.076 1.00 0.00 C +ATOM 10 CA SER A 10 231.236 246.749 240.048 1.00 0.00 C +ATOM 11 CA SER A 11 229.805 249.004 242.766 1.00 0.00 C +ATOM 12 CA GLU A 12 231.103 249.296 246.336 1.00 0.00 C +ATOM 13 CA ASP A 13 230.432 252.358 248.502 1.00 0.00 C +ATOM 14 CA HIS A 14 231.467 255.972 247.884 1.00 0.00 C +ATOM 15 CA GLN A 15 235.268 256.205 247.748 1.00 0.00 C +ATOM 16 CA ASN A 16 238.194 254.855 249.779 1.00 0.00 C +ATOM 17 CA LEU A 17 241.116 252.594 250.711 1.00 0.00 C +ATOM 18 CA ILE A 18 244.342 251.454 252.387 1.00 0.00 C +ATOM 19 CA SER A 19 247.499 250.364 250.554 1.00 0.00 C +ATOM 20 CA LYS A 20 249.071 247.385 252.333 1.00 0.00 C +ATOM 21 CA GLN A 21 252.134 245.151 251.952 1.00 0.00 C +ATOM 22 CA SER A 22 253.855 241.769 251.613 1.00 0.00 C +ATOM 23 CA LEU A 23 257.207 241.040 253.270 1.00 0.00 C +ATOM 24 CA PRO A 24 260.051 243.383 254.239 1.00 0.00 C +ATOM 25 CA GLN A 25 261.718 243.217 257.661 1.00 0.00 C +ATOM 26 CA THR A 26 261.937 240.283 260.082 1.00 0.00 C +ATOM 27 CA ARG A 27 264.334 240.534 263.033 1.00 0.00 C +ATOM 28 CA GLY A 28 263.415 243.787 264.791 1.00 0.00 C +ATOM 29 CA ASP A 29 263.197 246.315 267.634 1.00 0.00 C +ATOM 30 CA PRO A 30 262.801 250.102 267.768 1.00 0.00 C +ATOM 31 CA THR A 31 261.069 251.654 264.750 1.00 0.00 C +ATOM 32 CA GLY A 32 259.161 250.544 261.645 1.00 0.00 C +ATOM 33 CA SER A 33 261.486 250.042 258.669 1.00 0.00 C +ATOM 34 CA GLU A 34 261.528 250.266 254.866 1.00 0.00 C +ATOM 35 CA GLU A 35 264.751 251.592 253.327 1.00 0.00 C +ATOM 36 CA SER A 36 266.428 250.458 250.099 1.00 0.00 C +ATOM 37 CA LYS A 37 267.386 246.946 248.975 1.00 0.00 C +ATOM 38 CA LYS A 38 266.511 246.442 245.302 1.00 0.00 C +ATOM 39 CA LYS A 39 264.195 246.385 242.277 1.00 0.00 C +ATOM 40 CA VAL A 40 261.522 248.971 241.450 1.00 0.00 C +ATOM 41 CA GLU A 41 258.323 248.266 243.395 1.00 0.00 C +ATOM 42 CA SER A 42 255.866 250.816 244.802 1.00 0.00 C +ATOM 43 CA LYS A 43 252.859 252.780 243.531 1.00 0.00 C +ATOM 44 CA THR A 44 253.087 254.466 240.122 1.00 0.00 C +ATOM 45 CA GLU A 45 254.156 258.094 239.659 1.00 0.00 C +ATOM 46 CA THR A 46 253.579 260.840 242.236 1.00 0.00 C +ATOM 47 CA ASP A 47 252.201 263.869 244.091 1.00 0.00 C +ATOM 48 CA PRO A 48 249.241 265.528 245.825 1.00 0.00 C +ATOM 49 CA CYS A 49 246.844 265.533 248.786 1.00 0.00 C +ATOM 50 CA ASP A 50 246.325 264.657 252.458 1.00 0.00 C +TER 51 ASP A 50 +END diff --git a/Viruses/Q27Q84/Q27Q84.dcd b/Viruses/Q27Q84/Q27Q84.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b8fd25bcb1f250552b1898b0611048e6724dafe0 --- /dev/null +++ b/Viruses/Q27Q84/Q27Q84.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cd096dc1d7670f123aea5e308d7f9a9d5af5c490bc6cb05fa2b061a3def79000 +size 4760276 diff --git a/Viruses/Q27Q84/top.pdb b/Viruses/Q27Q84/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2212f34b028e34514b041b753b0a4db360ee8646 --- /dev/null +++ b/Viruses/Q27Q84/top.pdb @@ -0,0 +1,37 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 264.876 226.720 262.887 1.00 0.00 C +ATOM 2 CA PRO A 2 263.745 226.722 266.526 1.00 0.00 C +ATOM 3 CA LYS A 3 260.217 226.513 267.947 1.00 0.00 C +ATOM 4 CA ARG A 4 257.526 227.594 265.476 1.00 0.00 C +ATOM 5 CA ASP A 5 254.637 229.681 266.823 1.00 0.00 C +ATOM 6 CA ALA A 6 251.611 231.841 265.988 1.00 0.00 C +ATOM 7 CA PRO A 7 249.820 234.290 263.684 1.00 0.00 C +ATOM 8 CA TRP A 8 251.699 235.177 260.490 1.00 0.00 C +ATOM 9 CA ARG A 9 251.813 238.982 260.315 1.00 0.00 C +ATOM 10 CA THR A 10 254.731 240.096 258.134 1.00 0.00 C +ATOM 11 CA PRO A 11 258.238 239.291 256.879 1.00 0.00 C +ATOM 12 CA SER A 12 258.093 238.904 253.092 1.00 0.00 C +ATOM 13 CA GLY A 13 260.654 241.418 251.811 1.00 0.00 C +ATOM 14 CA THR A 14 258.778 243.776 249.479 1.00 0.00 C +ATOM 15 CA THR A 15 255.694 245.300 247.841 1.00 0.00 C +ATOM 16 CA LYS A 16 253.395 247.675 249.737 1.00 0.00 C +ATOM 17 CA VAL A 17 254.342 251.140 251.005 1.00 0.00 C +ATOM 18 CA SER A 18 253.173 254.547 252.247 1.00 0.00 C +ATOM 19 CA ARG A 19 251.801 258.101 252.326 1.00 0.00 C +ATOM 20 CA ASN A 20 248.831 258.773 250.036 1.00 0.00 C +ATOM 21 CA ALA A 21 245.526 258.748 248.141 1.00 0.00 C +ATOM 22 CA ASN A 22 243.036 257.296 245.649 1.00 0.00 C +ATOM 23 CA TYR A 23 242.416 259.290 242.462 1.00 0.00 C +ATOM 24 CA ASP A 24 241.969 260.425 238.853 1.00 0.00 C +ATOM 25 CA PRO A 25 243.745 263.194 236.931 1.00 0.00 C +ATOM 26 CA ARG A 26 244.961 264.551 233.585 1.00 0.00 C +ATOM 27 CA GLY A 27 245.407 266.501 230.343 1.00 0.00 C +ATOM 28 CA GLY A 28 242.264 268.606 229.890 1.00 0.00 C +ATOM 29 CA THR A 29 239.713 270.151 232.261 1.00 0.00 C +ATOM 30 CA GLY A 30 238.027 268.897 235.440 1.00 0.00 C +ATOM 31 CA SER A 31 235.954 271.279 237.571 1.00 0.00 C +ATOM 32 CA ARG A 32 236.563 271.514 241.325 1.00 0.00 C +ATOM 33 CA PRO A 33 236.745 273.004 244.827 1.00 0.00 C +TER 34 PRO A 33 +END diff --git a/Viruses/Q287B2/Q287B2.dcd b/Viruses/Q287B2/Q287B2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..2abc4edd9665fde8c1c81efe9e7d247eb45b5778 --- /dev/null +++ b/Viruses/Q287B2/Q287B2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3bcf20452778b0ff1cc0cc4f39d526aef87a64a9c9d1f8ec97ca6c9f16402f95 +size 8960276 diff --git a/Viruses/Q287B2/top.pdb b/Viruses/Q287B2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8411d0e0485a134bbac8e89db0a119510ce360ec --- /dev/null +++ b/Viruses/Q287B2/top.pdb @@ -0,0 +1,72 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 201.285 257.099 246.229 1.00 0.00 C +ATOM 2 CA CYS A 2 202.496 256.489 242.668 1.00 0.00 C +ATOM 3 CA MET A 3 203.509 253.586 240.418 1.00 0.00 C +ATOM 4 CA GLY A 4 207.064 252.272 240.032 1.00 0.00 C +ATOM 5 CA SER A 5 209.409 254.064 242.442 1.00 0.00 C +ATOM 6 CA SER A 6 211.521 256.299 244.691 1.00 0.00 C +ATOM 7 CA PRO A 7 213.451 256.042 247.966 1.00 0.00 C +ATOM 8 CA SER A 8 215.593 257.735 250.623 1.00 0.00 C +ATOM 9 CA VAL A 9 219.005 257.432 252.292 1.00 0.00 C +ATOM 10 CA PRO A 10 220.924 257.166 255.573 1.00 0.00 C +ATOM 11 CA ALA A 11 223.681 255.140 257.250 1.00 0.00 C +ATOM 12 CA THR A 12 227.472 254.858 256.998 1.00 0.00 C +ATOM 13 CA PRO A 13 228.663 255.180 260.602 1.00 0.00 C +ATOM 14 CA GLU A 14 232.171 256.638 260.886 1.00 0.00 C +ATOM 15 CA VAL A 15 235.898 257.427 260.832 1.00 0.00 C +ATOM 16 CA GLN A 16 238.487 259.936 259.599 1.00 0.00 C +ATOM 17 CA ALA A 17 242.103 260.936 258.938 1.00 0.00 C +ATOM 18 CA ALA A 18 243.309 260.225 255.394 1.00 0.00 C +ATOM 19 CA PRO A 19 244.933 258.748 252.280 1.00 0.00 C +ATOM 20 CA GLN A 20 245.559 261.725 249.986 1.00 0.00 C +ATOM 21 CA GLU A 21 242.974 261.981 247.199 1.00 0.00 C +ATOM 22 CA GLN A 22 241.790 260.327 243.977 1.00 0.00 C +ATOM 23 CA ASP A 23 243.689 257.476 242.310 1.00 0.00 C +ATOM 24 CA ALA A 24 243.098 253.892 241.158 1.00 0.00 C +ATOM 25 CA ALA A 25 245.244 251.021 242.450 1.00 0.00 C +ATOM 26 CA VAL A 26 248.181 248.595 242.438 1.00 0.00 C +ATOM 27 CA VAL A 27 250.185 245.533 243.500 1.00 0.00 C +ATOM 28 CA ASP A 28 253.482 243.852 242.590 1.00 0.00 C +ATOM 29 CA ALA A 29 255.950 240.950 242.601 1.00 0.00 C +ATOM 30 CA ARG A 30 256.551 240.216 238.911 1.00 0.00 C +ATOM 31 CA ASP A 31 259.026 237.779 237.345 1.00 0.00 C +ATOM 32 CA GLU A 32 261.540 238.774 234.660 1.00 0.00 C +ATOM 33 CA GLU A 33 263.261 242.042 235.597 1.00 0.00 C +ATOM 34 CA THR A 34 266.845 241.146 236.529 1.00 0.00 C +ATOM 35 CA ARG A 35 268.897 242.587 239.398 1.00 0.00 C +ATOM 36 CA ARG A 36 271.892 244.917 239.735 1.00 0.00 C +ATOM 37 CA ARG A 37 271.827 247.400 242.625 1.00 0.00 C +ATOM 38 CA ARG A 38 275.025 249.081 243.832 1.00 0.00 C +ATOM 39 CA ALA A 39 278.254 247.059 243.811 1.00 0.00 C +ATOM 40 CA ALA A 40 277.649 243.320 243.393 1.00 0.00 C +ATOM 41 CA ALA A 41 276.168 239.921 244.269 1.00 0.00 C +ATOM 42 CA GLY A 42 278.223 237.452 246.317 1.00 0.00 C +ATOM 43 CA ARG A 43 281.406 237.444 248.412 1.00 0.00 C +ATOM 44 CA SER A 44 285.022 238.519 247.881 1.00 0.00 C +ATOM 45 CA SER A 45 285.492 242.136 246.783 1.00 0.00 C +ATOM 46 CA THR A 46 283.228 244.873 248.161 1.00 0.00 C +ATOM 47 CA LEU A 47 283.362 245.305 251.944 1.00 0.00 C +ATOM 48 CA LEU A 48 281.167 246.496 254.821 1.00 0.00 C +ATOM 49 CA THR A 49 279.576 246.016 258.249 1.00 0.00 C +ATOM 50 CA GLY A 50 278.567 246.875 261.822 1.00 0.00 C +ATOM 51 CA SER A 51 275.088 246.949 263.373 1.00 0.00 C +ATOM 52 CA GLN A 52 271.594 246.524 261.914 1.00 0.00 C +ATOM 53 CA GLY A 53 268.472 244.651 260.791 1.00 0.00 C +ATOM 54 CA ASP A 54 264.955 243.496 261.691 1.00 0.00 C +ATOM 55 CA THR A 55 261.930 245.144 263.320 1.00 0.00 C +ATOM 56 CA SER A 56 261.845 248.807 262.277 1.00 0.00 C +ATOM 57 CA THR A 57 260.463 251.176 259.633 1.00 0.00 C +ATOM 58 CA ALA A 58 257.008 250.235 258.330 1.00 0.00 C +ATOM 59 CA ASN A 59 253.453 251.098 257.265 1.00 0.00 C +ATOM 60 CA THR A 60 250.158 252.395 258.672 1.00 0.00 C +ATOM 61 CA SER A 61 246.418 252.771 258.051 1.00 0.00 C +ATOM 62 CA GLY A 62 243.408 253.609 260.231 1.00 0.00 C +ATOM 63 CA LYS A 63 240.361 253.631 257.944 1.00 0.00 C +ATOM 64 CA THR A 64 239.980 253.953 254.167 1.00 0.00 C +ATOM 65 CA LEU A 65 236.683 254.001 252.259 1.00 0.00 C +ATOM 66 CA LEU A 66 235.680 252.033 249.154 1.00 0.00 C +ATOM 67 CA GLY A 67 238.458 250.110 247.393 1.00 0.00 C +ATOM 68 CA GLN A 68 239.939 247.435 245.121 1.00 0.00 C +TER 69 GLN A 68 +END diff --git a/Viruses/Q287K0/Q287K0.dcd b/Viruses/Q287K0/Q287K0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a8e519e4662dd231d13df61fb71abc8c5e8f302e --- /dev/null +++ b/Viruses/Q287K0/Q287K0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0b193ea9a6e121fb337edca5e5683f9f933b3db74fbb7bd419828044952dd574 +size 10400276 diff --git a/Viruses/Q287K0/top.pdb b/Viruses/Q287K0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b51fb42744182854576b2dce20a2ca6b98b7d459 --- /dev/null +++ b/Viruses/Q287K0/top.pdb @@ -0,0 +1,84 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 267.679 285.527 259.460 1.00 0.00 C +ATOM 2 CA VAL A 2 266.911 281.850 260.096 1.00 0.00 C +ATOM 3 CA TYR A 3 264.211 279.400 258.990 1.00 0.00 C +ATOM 4 CA SER A 4 264.092 276.023 257.230 1.00 0.00 C +ATOM 5 CA ARG A 5 260.991 274.678 255.472 1.00 0.00 C +ATOM 6 CA SER A 6 258.653 273.526 252.693 1.00 0.00 C +ATOM 7 CA GLY A 7 260.959 271.976 250.086 1.00 0.00 C +ATOM 8 CA ASP A 8 258.677 269.680 248.077 1.00 0.00 C +ATOM 9 CA ARG A 9 255.231 269.337 249.666 1.00 0.00 C +ATOM 10 CA ARG A 10 251.786 269.235 251.290 1.00 0.00 C +ATOM 11 CA ARG A 11 248.491 267.351 250.967 1.00 0.00 C +ATOM 12 CA SER A 12 245.705 264.752 250.903 1.00 0.00 C +ATOM 13 CA SER A 13 243.743 261.906 249.303 1.00 0.00 C +ATOM 14 CA ARG A 14 242.937 258.673 251.153 1.00 0.00 C +ATOM 15 CA GLY A 15 240.523 255.776 251.693 1.00 0.00 C +ATOM 16 CA ARG A 16 237.345 254.994 253.644 1.00 0.00 C +ATOM 17 CA ARG A 17 234.083 255.238 255.597 1.00 0.00 C +ATOM 18 CA ARG A 18 231.356 254.132 258.017 1.00 0.00 C +ATOM 19 CA SER A 19 230.220 256.902 260.374 1.00 0.00 C +ATOM 20 CA SER A 20 228.881 258.768 263.413 1.00 0.00 C +ATOM 21 CA ARG A 21 226.321 261.588 263.333 1.00 0.00 C +ATOM 22 CA ARG A 22 224.785 263.632 260.508 1.00 0.00 C +ATOM 23 CA ARG A 23 225.077 262.580 256.857 1.00 0.00 C +ATOM 24 CA SER A 24 228.461 262.311 255.127 1.00 0.00 C +ATOM 25 CA SER A 25 230.216 259.571 253.145 1.00 0.00 C +ATOM 26 CA GLY A 26 227.807 256.866 251.962 1.00 0.00 C +ATOM 27 CA GLY A 27 226.513 253.547 250.610 1.00 0.00 C +ATOM 28 CA ARG A 28 225.221 249.972 250.854 1.00 0.00 C +ATOM 29 CA ARG A 29 222.768 249.016 253.609 1.00 0.00 C +ATOM 30 CA ARG A 30 219.253 248.992 255.079 1.00 0.00 C +ATOM 31 CA SER A 31 216.855 247.165 257.409 1.00 0.00 C +ATOM 32 CA SER A 32 216.542 243.380 257.715 1.00 0.00 C +ATOM 33 CA GLY A 33 216.182 239.702 256.787 1.00 0.00 C +ATOM 34 CA GLY A 34 216.847 238.607 253.199 1.00 0.00 C +ATOM 35 CA ARG A 35 219.222 241.191 251.717 1.00 0.00 C +ATOM 36 CA ARG A 36 222.201 239.733 249.842 1.00 0.00 C +ATOM 37 CA ARG A 37 225.192 241.614 248.416 1.00 0.00 C +ATOM 38 CA SER A 38 226.708 239.783 245.438 1.00 0.00 C +ATOM 39 CA ARG A 39 227.229 236.467 243.636 1.00 0.00 C +ATOM 40 CA SER A 40 229.769 233.628 243.556 1.00 0.00 C +ATOM 41 CA TYR A 41 232.514 234.098 246.157 1.00 0.00 C +ATOM 42 CA ARG A 42 233.491 234.502 249.817 1.00 0.00 C +ATOM 43 CA ARG A 43 234.054 237.971 251.288 1.00 0.00 C +ATOM 44 CA SER A 44 233.363 238.139 255.031 1.00 0.00 C +ATOM 45 CA SER A 45 235.672 237.870 258.050 1.00 0.00 C +ATOM 46 CA GLY A 46 239.075 237.217 259.635 1.00 0.00 C +ATOM 47 CA GLY A 47 241.917 236.815 257.130 1.00 0.00 C +ATOM 48 CA TYR A 48 244.883 236.371 254.780 1.00 0.00 C +ATOM 49 CA HIS A 49 247.971 235.605 252.684 1.00 0.00 C +ATOM 50 CA ARG A 50 251.508 236.188 251.392 1.00 0.00 C +ATOM 51 CA ARG A 51 251.647 236.669 247.616 1.00 0.00 C +ATOM 52 CA PRO A 52 254.948 237.915 246.177 1.00 0.00 C +ATOM 53 CA GLY A 53 256.743 241.247 246.615 1.00 0.00 C +ATOM 54 CA ARG A 54 258.196 242.255 249.990 1.00 0.00 C +ATOM 55 CA PRO A 55 259.362 245.777 250.857 1.00 0.00 C +ATOM 56 CA ARG A 56 260.847 249.264 251.247 1.00 0.00 C +ATOM 57 CA ARG A 57 263.588 251.055 253.194 1.00 0.00 C +ATOM 58 CA ARG A 58 267.122 250.937 254.612 1.00 0.00 C +ATOM 59 CA ARG A 59 269.599 249.435 252.137 1.00 0.00 C +ATOM 60 CA SER A 60 270.593 250.142 248.528 1.00 0.00 C +ATOM 61 CA SER A 61 272.416 250.496 245.201 1.00 0.00 C +ATOM 62 CA ARG A 62 274.022 250.299 241.751 1.00 0.00 C +ATOM 63 CA ARG A 63 274.008 249.587 238.008 1.00 0.00 C +ATOM 64 CA GLY A 64 273.990 250.627 234.343 1.00 0.00 C +ATOM 65 CA SER A 65 273.951 248.738 231.034 1.00 0.00 C +ATOM 66 CA ARG A 66 273.359 245.001 231.481 1.00 0.00 C +ATOM 67 CA ARG A 67 271.775 243.781 234.724 1.00 0.00 C +ATOM 68 CA GLY A 68 270.211 240.690 236.309 1.00 0.00 C +ATOM 69 CA SER A 69 270.929 239.325 239.793 1.00 0.00 C +ATOM 70 CA GLY A 70 271.877 239.033 243.472 1.00 0.00 C +ATOM 71 CA ASN A 71 273.126 242.438 244.641 1.00 0.00 C +ATOM 72 CA PRO A 72 274.053 242.484 248.336 1.00 0.00 C +ATOM 73 CA TYR A 73 277.409 240.935 249.259 1.00 0.00 C +ATOM 74 CA GLY A 74 277.206 237.221 248.433 1.00 0.00 C +ATOM 75 CA TYR A 75 280.423 236.264 246.629 1.00 0.00 C +ATOM 76 CA ARG A 76 283.268 238.385 245.243 1.00 0.00 C +ATOM 77 CA SER A 77 283.507 240.068 241.833 1.00 0.00 C +ATOM 78 CA ARG A 78 282.559 242.090 238.746 1.00 0.00 C +ATOM 79 CA ALA A 79 284.865 245.116 238.548 1.00 0.00 C +ATOM 80 CA TYR A 80 284.305 248.880 238.357 1.00 0.00 C +TER 81 TYR A 80 +END diff --git a/Viruses/Q2EQ07/Q2EQ07.dcd b/Viruses/Q2EQ07/Q2EQ07.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a42224bac7ab02acf32c5099bd572e0e2b9be01f --- /dev/null +++ b/Viruses/Q2EQ07/Q2EQ07.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6b11afff25c74fbd4803eaea9fd79794576353cda97884dbe06ccd2459562134 +size 6560276 diff --git a/Viruses/Q2EQ07/top.pdb b/Viruses/Q2EQ07/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5cdcbf364f2c8bdc1fc9c2ca6272aa949cf130d4 --- /dev/null +++ b/Viruses/Q2EQ07/top.pdb @@ -0,0 +1,52 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 245.736 278.459 244.398 1.00 0.00 C +ATOM 2 CA GLY A 2 246.997 276.776 247.576 1.00 0.00 C +ATOM 3 CA SER A 3 246.383 273.108 248.400 1.00 0.00 C +ATOM 4 CA LYS A 4 244.385 270.776 246.145 1.00 0.00 C +ATOM 5 CA TRP A 5 245.092 267.315 244.719 1.00 0.00 C +ATOM 6 CA SER A 6 247.787 264.713 244.020 1.00 0.00 C +ATOM 7 CA LYS A 7 248.606 261.759 246.283 1.00 0.00 C +ATOM 8 CA GLY A 8 250.781 261.278 249.373 1.00 0.00 C +ATOM 9 CA SER A 9 253.097 258.913 251.261 1.00 0.00 C +ATOM 10 CA ILE A 10 254.970 256.174 253.133 1.00 0.00 C +ATOM 11 CA VAL A 11 253.369 253.334 255.102 1.00 0.00 C +ATOM 12 CA GLY A 12 252.927 250.155 257.157 1.00 0.00 C +ATOM 13 CA TRP A 13 256.182 248.208 257.510 1.00 0.00 C +ATOM 14 CA PRO A 14 256.259 244.495 256.659 1.00 0.00 C +ATOM 15 CA GLU A 15 253.805 243.553 253.901 1.00 0.00 C +ATOM 16 CA ILE A 16 250.542 243.634 251.937 1.00 0.00 C +ATOM 17 CA ARG A 17 249.134 246.335 249.649 1.00 0.00 C +ATOM 18 CA ASP A 18 246.702 245.276 246.914 1.00 0.00 C +ATOM 19 CA ARG A 19 245.696 248.223 244.718 1.00 0.00 C +ATOM 20 CA MET A 20 244.023 251.636 244.468 1.00 0.00 C +ATOM 21 CA ARG A 21 245.580 254.310 242.245 1.00 0.00 C +ATOM 22 CA ARG A 22 245.105 258.074 242.585 1.00 0.00 C +ATOM 23 CA THR A 23 242.754 258.694 245.520 1.00 0.00 C +ATOM 24 CA ARG A 24 239.133 259.039 244.388 1.00 0.00 C +ATOM 25 CA ASN A 25 236.240 256.865 245.580 1.00 0.00 C +ATOM 26 CA ARG A 26 232.820 256.218 247.131 1.00 0.00 C +ATOM 27 CA ASN A 27 231.409 252.715 246.630 1.00 0.00 C +ATOM 28 CA ASP A 28 230.572 250.043 249.214 1.00 0.00 C +ATOM 29 CA PRO A 29 233.029 247.199 248.589 1.00 0.00 C +ATOM 30 CA ALA A 30 236.336 245.527 247.705 1.00 0.00 C +ATOM 31 CA ALA A 31 238.081 243.314 250.270 1.00 0.00 C +ATOM 32 CA GLU A 32 237.473 239.877 251.798 1.00 0.00 C +ATOM 33 CA GLY A 33 239.463 236.703 251.105 1.00 0.00 C +ATOM 34 CA ASP A 34 243.163 237.107 251.921 1.00 0.00 C +ATOM 35 CA PRO A 35 245.389 236.059 254.830 1.00 0.00 C +ATOM 36 CA ALA A 36 249.030 237.145 255.120 1.00 0.00 C +ATOM 37 CA ALA A 37 252.469 236.421 253.649 1.00 0.00 C +ATOM 38 CA GLU A 38 255.827 235.339 255.087 1.00 0.00 C +ATOM 39 CA GLY A 39 258.280 236.295 257.840 1.00 0.00 C +ATOM 40 CA VAL A 40 261.895 237.452 258.179 1.00 0.00 C +ATOM 41 CA GLY A 41 265.136 238.988 256.894 1.00 0.00 C +ATOM 42 CA ALA A 42 267.841 238.559 254.245 1.00 0.00 C +ATOM 43 CA ALA A 43 270.450 238.519 251.469 1.00 0.00 C +ATOM 44 CA SER A 44 268.624 239.576 248.297 1.00 0.00 C +ATOM 45 CA ARG A 45 267.965 242.758 246.307 1.00 0.00 C +ATOM 46 CA ASP A 46 268.721 245.597 248.733 1.00 0.00 C +ATOM 47 CA LEU A 47 272.011 246.972 250.073 1.00 0.00 C +ATOM 48 CA GLU A 48 272.733 250.515 251.273 1.00 0.00 C +TER 49 GLU A 48 +END diff --git a/Viruses/Q2EQJ4/Q2EQJ4.dcd b/Viruses/Q2EQJ4/Q2EQJ4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..017cb1f47eda6760aa1c3434519a020c4d754271 --- /dev/null +++ b/Viruses/Q2EQJ4/Q2EQJ4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bc1430bfab5dff346edbff1269e5098e8b83eb227ca3f9cb922834ad42353e2b +size 8960276 diff --git a/Viruses/Q2EQJ4/top.pdb b/Viruses/Q2EQJ4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..add9eec68d35128e20ef1b665177df1e9e9c284c --- /dev/null +++ b/Viruses/Q2EQJ4/top.pdb @@ -0,0 +1,72 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA PHE A 1 269.741 249.847 228.973 1.00 0.00 C +ATOM 2 CA PHE A 2 270.649 253.536 228.692 1.00 0.00 C +ATOM 3 CA ARG A 3 273.247 256.068 229.858 1.00 0.00 C +ATOM 4 CA GLU A 4 276.554 255.514 231.667 1.00 0.00 C +ATOM 5 CA ASN A 5 279.791 256.620 233.345 1.00 0.00 C +ATOM 6 CA LEU A 6 283.127 255.721 231.740 1.00 0.00 C +ATOM 7 CA ALA A 7 285.692 253.402 230.139 1.00 0.00 C +ATOM 8 CA PHE A 8 283.938 250.039 229.777 1.00 0.00 C +ATOM 9 CA PRO A 9 282.209 246.778 228.834 1.00 0.00 C +ATOM 10 CA GLN A 10 278.520 246.150 229.555 1.00 0.00 C +ATOM 11 CA GLY A 11 278.158 245.160 233.216 1.00 0.00 C +ATOM 12 CA GLU A 12 274.577 244.200 234.093 1.00 0.00 C +ATOM 13 CA ALA A 13 273.134 240.679 234.277 1.00 0.00 C +ATOM 14 CA ARG A 14 273.243 238.181 231.402 1.00 0.00 C +ATOM 15 CA GLU A 15 270.720 236.781 228.915 1.00 0.00 C +ATOM 16 CA PHE A 16 269.281 234.149 226.566 1.00 0.00 C +ATOM 17 CA PRO A 17 265.498 233.787 226.847 1.00 0.00 C +ATOM 18 CA SER A 18 262.826 233.422 224.157 1.00 0.00 C +ATOM 19 CA GLU A 19 261.882 232.907 220.502 1.00 0.00 C +ATOM 20 CA GLN A 20 260.713 235.444 217.911 1.00 0.00 C +ATOM 21 CA ILE A 21 257.745 237.709 218.672 1.00 0.00 C +ATOM 22 CA ARG A 22 254.526 235.725 218.203 1.00 0.00 C +ATOM 23 CA ALA A 23 251.185 234.494 219.559 1.00 0.00 C +ATOM 24 CA SER A 24 248.783 234.445 222.516 1.00 0.00 C +ATOM 25 CA ASP A 25 246.067 236.401 224.336 1.00 0.00 C +ATOM 26 CA THR A 26 243.558 239.254 224.629 1.00 0.00 C +ATOM 27 CA ALA A 27 244.657 241.952 222.175 1.00 0.00 C +ATOM 28 CA ASN A 28 243.268 245.263 223.449 1.00 0.00 C +ATOM 29 CA SER A 29 241.554 245.782 226.812 1.00 0.00 C +ATOM 30 CA PRO A 30 238.487 243.536 227.059 1.00 0.00 C +ATOM 31 CA PRO A 31 234.971 244.177 228.379 1.00 0.00 C +ATOM 32 CA ALA A 32 232.116 244.019 230.897 1.00 0.00 C +ATOM 33 CA GLU A 33 232.562 241.209 233.430 1.00 0.00 C +ATOM 34 CA SER A 34 233.468 238.022 235.311 1.00 0.00 C +ATOM 35 CA PHE A 35 235.665 237.451 238.372 1.00 0.00 C +ATOM 36 CA ARG A 36 236.036 235.622 241.693 1.00 0.00 C +ATOM 37 CA PHE A 37 236.000 236.859 245.296 1.00 0.00 C +ATOM 38 CA GLU A 38 235.082 239.216 248.145 1.00 0.00 C +ATOM 39 CA GLU A 39 231.906 239.827 250.160 1.00 0.00 C +ATOM 40 CA THR A 40 229.372 241.605 252.382 1.00 0.00 C +ATOM 41 CA THR A 41 229.790 245.363 251.915 1.00 0.00 C +ATOM 42 CA PRO A 42 233.500 246.172 252.235 1.00 0.00 C +ATOM 43 CA ALA A 43 234.699 246.546 255.832 1.00 0.00 C +ATOM 44 CA PRO A 44 232.133 246.262 258.634 1.00 0.00 C +ATOM 45 CA LYS A 45 230.617 249.710 259.210 1.00 0.00 C +ATOM 46 CA GLN A 46 227.873 251.130 261.439 1.00 0.00 C +ATOM 47 CA GLU A 47 229.281 253.230 264.289 1.00 0.00 C +ATOM 48 CA PRO A 48 229.891 256.834 265.367 1.00 0.00 C +ATOM 49 CA LYS A 49 229.307 258.986 268.456 1.00 0.00 C +ATOM 50 CA ASP A 50 232.684 259.718 270.062 1.00 0.00 C +ATOM 51 CA GLN A 51 232.813 262.179 272.967 1.00 0.00 C +ATOM 52 CA GLU A 52 232.874 264.911 275.622 1.00 0.00 C +ATOM 53 CA PRO A 53 230.000 266.996 277.004 1.00 0.00 C +ATOM 54 CA LEU A 54 231.375 268.956 279.968 1.00 0.00 C +ATOM 55 CA ILE A 55 232.419 269.589 283.577 1.00 0.00 C +ATOM 56 CA SER A 56 236.168 269.777 284.234 1.00 0.00 C +ATOM 57 CA LEU A 57 237.421 266.182 284.089 1.00 0.00 C +ATOM 58 CA LYS A 58 239.720 264.014 286.217 1.00 0.00 C +ATOM 59 CA SER A 59 243.507 264.312 286.513 1.00 0.00 C +ATOM 60 CA LEU A 60 247.275 264.860 286.628 1.00 0.00 C +ATOM 61 CA PHE A 61 250.725 266.386 287.165 1.00 0.00 C +ATOM 62 CA GLY A 62 251.158 268.055 290.562 1.00 0.00 C +ATOM 63 CA SER A 63 254.423 267.730 292.499 1.00 0.00 C +ATOM 64 CA ASP A 64 257.824 269.418 292.822 1.00 0.00 C +ATOM 65 CA PRO A 65 259.135 268.991 296.374 1.00 0.00 C +ATOM 66 CA LEU A 66 259.291 265.907 298.605 1.00 0.00 C +ATOM 67 CA SER A 67 257.023 264.351 301.242 1.00 0.00 C +ATOM 68 CA GLN A 68 256.566 262.487 304.533 1.00 0.00 C +TER 69 GLN A 68 +END diff --git a/Viruses/Q2EX97/Q2EX97.dcd b/Viruses/Q2EX97/Q2EX97.dcd new file mode 100644 index 0000000000000000000000000000000000000000..3d878eb0b2697534630f880b9e66b6efad75e35b --- /dev/null +++ b/Viruses/Q2EX97/Q2EX97.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dc8221b433a611d3f65a80e1a5b577bca26e98c3453ab46e5a0b998517e2add9 +size 12440276 diff --git a/Viruses/Q2EX97/top.pdb b/Viruses/Q2EX97/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d9dad81d6ed52cbce51cfda1de7eb081a24f57b6 --- /dev/null +++ b/Viruses/Q2EX97/top.pdb @@ -0,0 +1,101 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA SER A 1 236.232 272.797 212.203 1.00 0.00 C +ATOM 2 CA LEU A 2 234.083 272.116 209.132 1.00 0.00 C +ATOM 3 CA LEU A 3 231.149 274.516 209.516 1.00 0.00 C +ATOM 4 CA GLY A 4 227.510 273.423 209.801 1.00 0.00 C +ATOM 5 CA TRP A 5 225.596 270.614 211.522 1.00 0.00 C +ATOM 6 CA SER A 6 225.999 269.645 215.184 1.00 0.00 C +ATOM 7 CA PRO A 7 227.135 269.204 218.794 1.00 0.00 C +ATOM 8 CA GLN A 8 227.482 269.299 222.587 1.00 0.00 C +ATOM 9 CA ALA A 9 228.055 266.296 224.861 1.00 0.00 C +ATOM 10 CA GLN A 10 226.656 266.152 228.402 1.00 0.00 C +ATOM 11 CA GLY A 11 223.287 265.235 229.926 1.00 0.00 C +ATOM 12 CA ILE A 12 223.912 263.124 233.035 1.00 0.00 C +ATOM 13 CA LEU A 13 225.029 260.104 235.071 1.00 0.00 C +ATOM 14 CA THR A 14 228.070 257.813 234.929 1.00 0.00 C +ATOM 15 CA THR A 15 229.854 254.657 236.102 1.00 0.00 C +ATOM 16 CA MET A 16 231.769 254.044 239.338 1.00 0.00 C +ATOM 17 CA PRO A 17 233.821 252.672 242.240 1.00 0.00 C +ATOM 18 CA ALA A 18 235.788 255.521 243.830 1.00 0.00 C +ATOM 19 CA ALA A 19 238.202 255.688 246.774 1.00 0.00 C +ATOM 20 CA PRO A 20 238.452 259.203 248.222 1.00 0.00 C +ATOM 21 CA PRO A 21 238.505 262.283 245.980 1.00 0.00 C +ATOM 22 CA PRO A 22 238.067 265.571 247.854 1.00 0.00 C +ATOM 23 CA ALA A 23 237.227 268.787 245.992 1.00 0.00 C +ATOM 24 CA SER A 24 239.700 271.455 244.862 1.00 0.00 C +ATOM 25 CA THR A 25 238.604 273.503 241.842 1.00 0.00 C +ATOM 26 CA LYS A 26 241.116 273.217 238.991 1.00 0.00 C +ATOM 27 CA ARG A 27 239.318 274.430 235.858 1.00 0.00 C +ATOM 28 CA GLN A 28 235.884 275.280 234.443 1.00 0.00 C +ATOM 29 CA SER A 29 233.684 278.376 234.743 1.00 0.00 C +ATOM 30 CA ARG A 30 232.698 280.899 237.422 1.00 0.00 C +ATOM 31 CA ARG A 31 232.121 281.292 241.168 1.00 0.00 C +ATOM 32 CA GLN A 32 229.503 279.486 243.266 1.00 0.00 C +ATOM 33 CA PRO A 33 229.684 280.801 246.837 1.00 0.00 C +ATOM 34 CA THR A 34 229.964 282.822 250.054 1.00 0.00 C +ATOM 35 CA PRO A 35 233.271 282.325 251.879 1.00 0.00 C +ATOM 36 CA ILE A 36 233.261 278.950 253.645 1.00 0.00 C +ATOM 37 CA SER A 37 236.632 278.656 255.395 1.00 0.00 C +ATOM 38 CA PRO A 38 239.875 280.344 254.320 1.00 0.00 C +ATOM 39 CA PRO A 39 242.759 277.939 254.961 1.00 0.00 C +ATOM 40 CA LEU A 40 244.087 275.037 252.879 1.00 0.00 C +ATOM 41 CA ARG A 41 243.064 271.942 250.907 1.00 0.00 C +ATOM 42 CA ASP A 42 243.591 268.193 251.336 1.00 0.00 C +ATOM 43 CA SER A 43 243.949 266.039 254.459 1.00 0.00 C +ATOM 44 CA HIS A 44 242.803 264.615 257.802 1.00 0.00 C +ATOM 45 CA PRO A 45 242.902 261.275 259.632 1.00 0.00 C +ATOM 46 CA GLN A 46 240.843 258.069 259.606 1.00 0.00 C +ATOM 47 CA ALA A 47 241.709 256.318 262.877 1.00 0.00 C +ATOM 48 CA MET A 48 243.168 252.849 263.474 1.00 0.00 C +ATOM 49 CA ARG A 49 245.203 250.068 265.098 1.00 0.00 C +ATOM 50 CA TRP A 50 247.112 247.080 266.493 1.00 0.00 C +ATOM 51 CA ASN A 51 247.807 247.733 270.181 1.00 0.00 C +ATOM 52 CA SER A 52 244.839 249.376 271.916 1.00 0.00 C +ATOM 53 CA SER A 53 241.265 248.228 272.565 1.00 0.00 C +ATOM 54 CA PRO A 54 239.271 245.254 271.263 1.00 0.00 C +ATOM 55 CA ALA A 55 241.108 241.919 271.388 1.00 0.00 C +ATOM 56 CA GLY A 56 244.296 241.565 269.331 1.00 0.00 C +ATOM 57 CA GLY A 57 244.985 237.828 269.053 1.00 0.00 C +ATOM 58 CA SER A 58 242.401 235.030 269.151 1.00 0.00 C +ATOM 59 CA SER A 59 239.989 233.471 266.647 1.00 0.00 C +ATOM 60 CA SER A 60 238.735 231.529 263.619 1.00 0.00 C +ATOM 61 CA GLY A 61 239.110 232.502 259.955 1.00 0.00 C +ATOM 62 CA THR A 62 241.442 229.891 258.452 1.00 0.00 C +ATOM 63 CA VAL A 63 244.650 228.658 260.095 1.00 0.00 C +ATOM 64 CA SER A 64 245.827 229.794 263.537 1.00 0.00 C +ATOM 65 CA PRO A 65 249.434 230.895 264.072 1.00 0.00 C +ATOM 66 CA VAL A 66 251.879 233.716 263.309 1.00 0.00 C +ATOM 67 CA PRO A 67 255.041 232.105 261.923 1.00 0.00 C +ATOM 68 CA THR A 68 258.700 233.167 261.957 1.00 0.00 C +ATOM 69 CA THR A 69 260.129 236.358 263.470 1.00 0.00 C +ATOM 70 CA ALA A 70 263.898 235.944 263.097 1.00 0.00 C +ATOM 71 CA SER A 71 267.262 234.394 263.993 1.00 0.00 C +ATOM 72 CA PRO A 72 270.763 233.663 262.681 1.00 0.00 C +ATOM 73 CA LEU A 73 271.778 234.098 259.034 1.00 0.00 C +ATOM 74 CA SER A 74 272.679 236.272 256.038 1.00 0.00 C +ATOM 75 CA SER A 75 275.836 238.375 255.679 1.00 0.00 C +ATOM 76 CA ILE A 76 277.469 237.260 252.422 1.00 0.00 C +ATOM 77 CA PHE A 77 279.370 237.018 249.130 1.00 0.00 C +ATOM 78 CA SER A 78 277.890 234.286 246.925 1.00 0.00 C +ATOM 79 CA ARG A 79 276.879 231.547 249.373 1.00 0.00 C +ATOM 80 CA THR A 80 274.997 228.389 248.375 1.00 0.00 C +ATOM 81 CA GLY A 81 276.658 225.604 246.374 1.00 0.00 C +ATOM 82 CA ASP A 82 278.862 222.565 247.024 1.00 0.00 C +ATOM 83 CA PRO A 83 279.172 219.728 244.501 1.00 0.00 C +ATOM 84 CA ALA A 84 279.221 216.017 245.363 1.00 0.00 C +ATOM 85 CA PRO A 85 281.785 213.201 245.459 1.00 0.00 C +ATOM 86 CA ASN A 86 284.127 213.032 248.460 1.00 0.00 C +ATOM 87 CA MET A 87 283.429 214.447 251.928 1.00 0.00 C +ATOM 88 CA ASP A 88 282.808 218.201 251.740 1.00 0.00 C +ATOM 89 CA SER A 89 279.984 219.928 253.626 1.00 0.00 C +ATOM 90 CA SER A 90 278.837 219.521 257.236 1.00 0.00 C +ATOM 91 CA THR A 91 281.096 219.504 260.304 1.00 0.00 C +ATOM 92 CA SER A 92 283.879 221.839 261.453 1.00 0.00 C +ATOM 93 CA GLY A 93 286.463 223.461 263.735 1.00 0.00 C +ATOM 94 CA PHE A 94 288.207 225.677 266.297 1.00 0.00 C +ATOM 95 CA LEU A 95 288.208 229.304 265.132 1.00 0.00 C +ATOM 96 CA GLY A 96 288.091 232.672 263.354 1.00 0.00 C +ATOM 97 CA PRO A 97 291.062 235.008 263.835 1.00 0.00 C +TER 98 PRO A 97 +END diff --git a/Viruses/Q2EXS5/Q2EXS5.dcd b/Viruses/Q2EXS5/Q2EXS5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f9378b870602344ebcd6054c5da3f8553b905c55 --- /dev/null +++ b/Viruses/Q2EXS5/Q2EXS5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e5a7a0e1e9417512ff1ed310a3fb26a80cbbbc8d811b7b08b6b3e4668832b137 +size 19760276 diff --git a/Viruses/Q2EXS5/top.pdb b/Viruses/Q2EXS5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..373d9b0cd8f904d06ae972fafbd39acfb2f637ab --- /dev/null +++ b/Viruses/Q2EXS5/top.pdb @@ -0,0 +1,162 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 242.005 268.921 183.504 1.00 0.00 C +ATOM 2 CA GLY A 2 239.809 266.649 181.375 1.00 0.00 C +ATOM 3 CA GLY A 3 240.102 263.105 180.007 1.00 0.00 C +ATOM 4 CA TRP A 4 241.831 259.763 180.608 1.00 0.00 C +ATOM 5 CA SER A 5 239.918 256.616 179.633 1.00 0.00 C +ATOM 6 CA SER A 6 237.244 254.302 181.051 1.00 0.00 C +ATOM 7 CA LYS A 7 236.829 253.230 184.683 1.00 0.00 C +ATOM 8 CA PRO A 8 233.913 251.532 186.454 1.00 0.00 C +ATOM 9 CA ARG A 9 232.600 247.956 186.451 1.00 0.00 C +ATOM 10 CA GLN A 10 231.645 246.702 189.920 1.00 0.00 C +ATOM 11 CA GLY A 11 231.376 243.633 192.162 1.00 0.00 C +ATOM 12 CA MET A 12 228.586 242.981 194.673 1.00 0.00 C +ATOM 13 CA GLY A 13 230.227 242.062 197.987 1.00 0.00 C +ATOM 14 CA THR A 14 230.385 238.256 197.904 1.00 0.00 C +ATOM 15 CA ASN A 15 226.795 236.990 198.053 1.00 0.00 C +ATOM 16 CA LEU A 16 226.239 233.680 199.856 1.00 0.00 C +ATOM 17 CA SER A 17 225.616 233.740 203.615 1.00 0.00 C +ATOM 18 CA VAL A 18 225.742 234.853 207.256 1.00 0.00 C +ATOM 19 CA PRO A 19 226.461 238.486 208.153 1.00 0.00 C +ATOM 20 CA ASN A 20 226.594 242.252 207.594 1.00 0.00 C +ATOM 21 CA PRO A 21 228.163 244.415 204.879 1.00 0.00 C +ATOM 22 CA LEU A 22 229.296 247.725 203.370 1.00 0.00 C +ATOM 23 CA GLY A 23 228.874 249.836 200.226 1.00 0.00 C +ATOM 24 CA PHE A 24 231.559 252.476 199.649 1.00 0.00 C +ATOM 25 CA PHE A 25 234.804 253.887 201.063 1.00 0.00 C +ATOM 26 CA PRO A 26 237.297 251.030 201.438 1.00 0.00 C +ATOM 27 CA GLY A 27 240.244 248.635 201.131 1.00 0.00 C +ATOM 28 CA HIS A 28 242.195 248.451 204.399 1.00 0.00 C +ATOM 29 CA GLN A 29 245.808 247.827 205.433 1.00 0.00 C +ATOM 30 CA LEU A 30 248.248 250.286 203.848 1.00 0.00 C +ATOM 31 CA ASP A 31 250.657 252.223 206.075 1.00 0.00 C +ATOM 32 CA PRO A 32 248.783 254.763 208.208 1.00 0.00 C +ATOM 33 CA ALA A 33 250.598 258.112 208.134 1.00 0.00 C +ATOM 34 CA PHE A 34 249.836 260.560 210.953 1.00 0.00 C +ATOM 35 CA GLY A 35 252.118 262.682 213.145 1.00 0.00 C +ATOM 36 CA ALA A 36 251.576 261.383 216.686 1.00 0.00 C +ATOM 37 CA ASN A 37 252.199 261.141 220.437 1.00 0.00 C +ATOM 38 CA SER A 38 250.470 262.292 223.631 1.00 0.00 C +ATOM 39 CA ASN A 39 247.676 264.877 223.805 1.00 0.00 C +ATOM 40 CA ASN A 40 243.973 265.711 224.131 1.00 0.00 C +ATOM 41 CA PRO A 41 242.245 264.452 220.978 1.00 0.00 C +ATOM 42 CA ASP A 42 241.010 261.669 218.686 1.00 0.00 C +ATOM 43 CA TRP A 43 243.276 259.989 216.125 1.00 0.00 C +ATOM 44 CA ASP A 44 244.686 256.658 214.927 1.00 0.00 C +ATOM 45 CA PHE A 45 243.495 254.000 212.472 1.00 0.00 C +ATOM 46 CA ASN A 46 241.423 251.342 210.694 1.00 0.00 C +ATOM 47 CA PRO A 47 241.531 247.561 211.153 1.00 0.00 C +ATOM 48 CA ASN A 48 244.361 245.020 210.935 1.00 0.00 C +ATOM 49 CA LYS A 49 246.528 244.784 214.060 1.00 0.00 C +ATOM 50 CA ASP A 50 245.337 246.857 217.026 1.00 0.00 C +ATOM 51 CA GLN A 51 244.703 250.483 218.010 1.00 0.00 C +ATOM 52 CA TRP A 52 243.774 251.508 221.560 1.00 0.00 C +ATOM 53 CA PRO A 53 243.877 253.643 224.714 1.00 0.00 C +ATOM 54 CA ALA A 54 245.416 254.464 228.101 1.00 0.00 C +ATOM 55 CA ALA A 55 246.419 255.264 231.688 1.00 0.00 C +ATOM 56 CA ASN A 56 245.511 258.674 233.125 1.00 0.00 C +ATOM 57 CA GLN A 57 245.066 261.453 230.557 1.00 0.00 C +ATOM 58 CA VAL A 58 241.859 263.118 229.349 1.00 0.00 C +ATOM 59 CA GLY A 59 239.318 264.203 231.972 1.00 0.00 C +ATOM 60 CA VAL A 60 237.795 264.207 235.465 1.00 0.00 C +ATOM 61 CA GLY A 61 235.889 263.198 238.605 1.00 0.00 C +ATOM 62 CA SER A 62 236.551 260.558 241.272 1.00 0.00 C +ATOM 63 CA PHE A 63 235.048 257.074 240.926 1.00 0.00 C +ATOM 64 CA GLY A 64 234.549 253.314 240.569 1.00 0.00 C +ATOM 65 CA PRO A 65 232.240 250.991 238.623 1.00 0.00 C +ATOM 66 CA GLY A 66 232.305 247.193 238.915 1.00 0.00 C +ATOM 67 CA PHE A 67 234.375 245.063 241.301 1.00 0.00 C +ATOM 68 CA THR A 68 237.157 243.107 243.018 1.00 0.00 C +ATOM 69 CA PRO A 69 236.246 240.008 245.039 1.00 0.00 C +ATOM 70 CA PRO A 70 237.143 236.819 246.921 1.00 0.00 C +ATOM 71 CA HIS A 71 239.858 236.592 249.583 1.00 0.00 C +ATOM 72 CA GLY A 72 243.418 236.717 248.232 1.00 0.00 C +ATOM 73 CA SER A 73 244.368 239.290 245.587 1.00 0.00 C +ATOM 74 CA LEU A 74 247.241 241.734 245.045 1.00 0.00 C +ATOM 75 CA LEU A 75 250.137 243.955 243.953 1.00 0.00 C +ATOM 76 CA GLY A 76 250.918 247.291 245.620 1.00 0.00 C +ATOM 77 CA TRP A 77 250.273 249.324 248.777 1.00 0.00 C +ATOM 78 CA SER A 78 246.617 250.384 248.612 1.00 0.00 C +ATOM 79 CA PRO A 79 245.241 253.701 249.885 1.00 0.00 C +ATOM 80 CA GLN A 80 242.929 254.189 252.873 1.00 0.00 C +ATOM 81 CA ALA A 81 243.582 251.829 255.793 1.00 0.00 C +ATOM 82 CA GLN A 82 246.292 249.529 257.164 1.00 0.00 C +ATOM 83 CA GLY A 83 248.468 246.466 257.796 1.00 0.00 C +ATOM 84 CA ILE A 84 251.238 245.803 255.266 1.00 0.00 C +ATOM 85 CA LEU A 85 250.674 243.777 252.089 1.00 0.00 C +ATOM 86 CA THR A 86 247.200 242.213 252.040 1.00 0.00 C +ATOM 87 CA THR A 87 246.805 240.065 255.162 1.00 0.00 C +ATOM 88 CA VAL A 88 244.856 239.233 258.328 1.00 0.00 C +ATOM 89 CA PRO A 89 245.939 241.139 261.444 1.00 0.00 C +ATOM 90 CA ALA A 90 244.448 244.488 262.481 1.00 0.00 C +ATOM 91 CA ALA A 91 247.079 246.078 264.731 1.00 0.00 C +ATOM 92 CA PRO A 92 250.194 248.245 265.074 1.00 0.00 C +ATOM 93 CA PRO A 93 253.763 247.213 265.918 1.00 0.00 C +ATOM 94 CA PRO A 94 256.633 248.823 267.838 1.00 0.00 C +ATOM 95 CA ALA A 95 260.313 247.845 267.706 1.00 0.00 C +ATOM 96 CA SER A 96 261.656 244.414 266.737 1.00 0.00 C +ATOM 97 CA THR A 97 263.985 242.560 264.359 1.00 0.00 C +ATOM 98 CA ASN A 98 265.358 240.513 261.453 1.00 0.00 C +ATOM 99 CA ARG A 99 266.308 239.609 257.876 1.00 0.00 C +ATOM 100 CA GLN A 100 268.471 236.480 257.656 1.00 0.00 C +ATOM 101 CA SER A 101 267.138 233.271 256.094 1.00 0.00 C +ATOM 102 CA GLY A 102 266.165 230.175 258.090 1.00 0.00 C +ATOM 103 CA ARG A 103 268.189 228.670 260.945 1.00 0.00 C +ATOM 104 CA GLN A 104 267.484 228.325 264.674 1.00 0.00 C +ATOM 105 CA PRO A 105 264.189 230.117 265.340 1.00 0.00 C +ATOM 106 CA THR A 106 264.265 233.101 267.708 1.00 0.00 C +ATOM 107 CA PRO A 107 264.566 236.011 270.149 1.00 0.00 C +ATOM 108 CA ILE A 108 266.609 235.156 273.248 1.00 0.00 C +ATOM 109 CA SER A 109 266.489 235.902 276.982 1.00 0.00 C +ATOM 110 CA PRO A 110 267.334 236.153 280.689 1.00 0.00 C +ATOM 111 CA PRO A 111 266.773 239.810 281.601 1.00 0.00 C +ATOM 112 CA LEU A 112 268.349 243.148 282.544 1.00 0.00 C +ATOM 113 CA ARG A 113 266.324 245.498 284.756 1.00 0.00 C +ATOM 114 CA GLU A 114 263.142 247.414 285.605 1.00 0.00 C +ATOM 115 CA SER A 115 259.450 246.729 286.253 1.00 0.00 C +ATOM 116 CA HIS A 116 257.812 249.387 288.436 1.00 0.00 C +ATOM 117 CA PRO A 117 257.742 252.492 290.643 1.00 0.00 C +ATOM 118 CA GLN A 118 257.170 251.201 294.181 1.00 0.00 C +ATOM 119 CA ALA A 119 255.969 247.700 295.084 1.00 0.00 C +ATOM 120 CA MET A 120 257.552 244.944 292.983 1.00 0.00 C +ATOM 121 CA GLN A 121 258.689 241.820 294.846 1.00 0.00 C +ATOM 122 CA TRP A 122 260.490 238.729 293.537 1.00 0.00 C +ATOM 123 CA ASN A 123 258.167 236.430 291.579 1.00 0.00 C +ATOM 124 CA SER A 124 254.917 234.600 290.802 1.00 0.00 C +ATOM 125 CA SER A 125 251.219 234.305 289.933 1.00 0.00 C +ATOM 126 CA THR A 126 248.908 236.874 291.538 1.00 0.00 C +ATOM 127 CA PHE A 127 250.699 240.219 291.873 1.00 0.00 C +ATOM 128 CA HIS A 128 253.466 241.470 289.572 1.00 0.00 C +ATOM 129 CA GLN A 129 251.761 243.847 287.130 1.00 0.00 C +ATOM 130 CA ALA A 130 249.682 246.176 289.315 1.00 0.00 C +ATOM 131 CA LEU A 131 251.450 249.476 290.019 1.00 0.00 C +ATOM 132 CA LEU A 132 251.538 253.170 289.089 1.00 0.00 C +ATOM 133 CA ASP A 133 252.146 254.961 285.781 1.00 0.00 C +ATOM 134 CA PRO A 134 254.108 257.302 283.504 1.00 0.00 C +ATOM 135 CA ARG A 135 257.916 257.188 283.488 1.00 0.00 C +ATOM 136 CA VAL A 136 259.914 254.130 282.403 1.00 0.00 C +ATOM 137 CA ARG A 137 263.518 253.039 282.983 1.00 0.00 C +ATOM 138 CA GLY A 138 266.713 254.983 283.710 1.00 0.00 C +ATOM 139 CA LEU A 139 269.619 256.057 285.928 1.00 0.00 C +ATOM 140 CA TYR A 140 269.528 258.385 288.942 1.00 0.00 C +ATOM 141 CA PHE A 141 271.870 259.721 291.634 1.00 0.00 C +ATOM 142 CA PRO A 142 272.643 262.015 294.577 1.00 0.00 C +ATOM 143 CA ALA A 143 273.222 261.314 298.276 1.00 0.00 C +ATOM 144 CA GLY A 144 271.534 261.182 301.689 1.00 0.00 C +ATOM 145 CA GLY A 145 267.726 261.041 301.701 1.00 0.00 C +ATOM 146 CA SER A 146 265.547 260.751 304.812 1.00 0.00 C +ATOM 147 CA SER A 147 264.884 259.148 308.205 1.00 0.00 C +ATOM 148 CA SER A 148 264.659 261.369 311.292 1.00 0.00 C +ATOM 149 CA GLY A 149 265.550 263.365 314.413 1.00 0.00 C +ATOM 150 CA THR A 150 268.172 263.536 317.172 1.00 0.00 C +ATOM 151 CA GLU A 151 270.378 260.805 318.652 1.00 0.00 C +ATOM 152 CA ASN A 152 270.202 260.771 322.458 1.00 0.00 C +ATOM 153 CA PRO A 153 269.672 264.141 324.155 1.00 0.00 C +ATOM 154 CA VAL A 154 268.542 267.752 323.710 1.00 0.00 C +ATOM 155 CA PRO A 155 270.297 271.134 323.680 1.00 0.00 C +ATOM 156 CA THR A 156 268.452 273.234 321.091 1.00 0.00 C +ATOM 157 CA THR A 157 264.973 274.410 322.107 1.00 0.00 C +ATOM 158 CA ALA A 158 262.827 275.752 324.955 1.00 0.00 C +TER 159 ALA A 158 +END diff --git a/Viruses/Q2I7C2/Q2I7C2.dcd b/Viruses/Q2I7C2/Q2I7C2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..37636c5abfc98a504c71bd01773589fd6cfdcd9a --- /dev/null +++ b/Viruses/Q2I7C2/Q2I7C2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:546958e0458fda9286071dadf837cb5f6333293816024699f9310bb49fb52d13 +size 13040276 diff --git a/Viruses/Q2I7C2/top.pdb b/Viruses/Q2I7C2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..198426b26ffbad4ce42bf4bee1b9f58d9be1151a --- /dev/null +++ b/Viruses/Q2I7C2/top.pdb @@ -0,0 +1,106 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LYS A 1 249.474 228.474 257.809 1.00 0.00 C +ATOM 2 CA GLN A 2 248.380 225.627 255.525 1.00 0.00 C +ATOM 3 CA LEU A 3 245.200 226.099 253.479 1.00 0.00 C +ATOM 4 CA ALA A 4 242.877 225.060 250.644 1.00 0.00 C +ATOM 5 CA GLY A 5 239.825 227.305 251.040 1.00 0.00 C +ATOM 6 CA GLY A 6 239.266 230.950 250.083 1.00 0.00 C +ATOM 7 CA GLY A 7 242.004 233.054 248.472 1.00 0.00 C +ATOM 8 CA LYS A 8 243.378 235.604 245.997 1.00 0.00 C +ATOM 9 CA SER A 9 243.020 237.872 242.957 1.00 0.00 C +ATOM 10 CA LEU A 10 242.225 235.804 239.857 1.00 0.00 C +ATOM 11 CA SER A 11 240.757 232.290 239.745 1.00 0.00 C +ATOM 12 CA ARG A 12 237.707 230.241 240.753 1.00 0.00 C +ATOM 13 CA GLU A 13 235.014 230.739 243.402 1.00 0.00 C +ATOM 14 CA GLU A 14 231.982 233.046 243.474 1.00 0.00 C +ATOM 15 CA GLU A 15 228.562 233.923 244.906 1.00 0.00 C +ATOM 16 CA GLU A 16 225.134 232.945 243.562 1.00 0.00 C +ATOM 17 CA GLU A 17 221.792 231.352 242.662 1.00 0.00 C +ATOM 18 CA LEU A 18 218.689 233.433 241.913 1.00 0.00 C +ATOM 19 CA ARG A 19 218.083 236.604 243.937 1.00 0.00 C +ATOM 20 CA LYS A 20 218.185 240.024 242.262 1.00 0.00 C +ATOM 21 CA LEU A 21 216.708 242.717 244.518 1.00 0.00 C +ATOM 22 CA THR A 22 217.106 241.620 248.145 1.00 0.00 C +ATOM 23 CA GLU A 23 219.705 242.904 250.618 1.00 0.00 C +ATOM 24 CA GLU A 24 223.069 243.147 252.390 1.00 0.00 C +ATOM 25 CA ASP A 25 225.732 245.650 253.468 1.00 0.00 C +ATOM 26 CA GLU A 26 224.010 249.002 254.028 1.00 0.00 C +ATOM 27 CA ARG A 27 224.204 251.587 251.235 1.00 0.00 C +ATOM 28 CA ARG A 28 227.501 253.483 251.465 1.00 0.00 C +ATOM 29 CA GLU A 29 229.678 253.258 254.584 1.00 0.00 C +ATOM 30 CA ARG A 30 232.296 252.845 257.321 1.00 0.00 C +ATOM 31 CA ARG A 31 234.852 254.748 259.409 1.00 0.00 C +ATOM 32 CA VAL A 32 237.804 256.985 260.304 1.00 0.00 C +ATOM 33 CA ALA A 33 241.403 255.857 260.840 1.00 0.00 C +ATOM 34 CA GLY A 34 243.288 256.921 257.704 1.00 0.00 C +ATOM 35 CA PRO A 35 242.832 258.376 254.213 1.00 0.00 C +ATOM 36 CA PRO A 36 240.800 257.763 251.049 1.00 0.00 C +ATOM 37 CA THR A 37 243.060 256.825 248.128 1.00 0.00 C +ATOM 38 CA GLY A 38 243.847 257.685 244.501 1.00 0.00 C +ATOM 39 CA GLY A 39 244.668 255.862 241.258 1.00 0.00 C +ATOM 40 CA VAL A 40 243.739 252.214 241.847 1.00 0.00 C +ATOM 41 CA VAL A 41 240.606 250.240 240.951 1.00 0.00 C +ATOM 42 CA PRO A 42 240.259 246.460 240.619 1.00 0.00 C +ATOM 43 CA LEU A 43 243.024 243.845 240.792 1.00 0.00 C +ATOM 44 CA GLU A 44 246.174 244.038 242.927 1.00 0.00 C +ATOM 45 CA GLY A 45 249.478 242.201 243.403 1.00 0.00 C +ATOM 46 CA ASP A 46 252.216 240.952 245.739 1.00 0.00 C +ATOM 47 CA ARG A 47 254.851 238.202 245.835 1.00 0.00 C +ATOM 48 CA ARG A 48 257.476 238.485 243.088 1.00 0.00 C +ATOM 49 CA GLY A 49 261.230 238.243 242.484 1.00 0.00 C +ATOM 50 CA ALA A 50 263.230 241.280 243.620 1.00 0.00 C +ATOM 51 CA PRO A 51 263.920 244.802 242.341 1.00 0.00 C +ATOM 52 CA GLY A 52 267.719 245.014 242.155 1.00 0.00 C +ATOM 53 CA GLY A 53 270.113 247.547 240.616 1.00 0.00 C +ATOM 54 CA GLY A 54 273.539 248.303 239.129 1.00 0.00 C +ATOM 55 CA PHE A 55 277.118 248.215 240.432 1.00 0.00 C +ATOM 56 CA VAL A 56 279.239 249.884 237.743 1.00 0.00 C +ATOM 57 CA PRO A 57 280.368 253.491 238.220 1.00 0.00 C +ATOM 58 CA SER A 58 278.982 255.111 241.378 1.00 0.00 C +ATOM 59 CA MET A 59 275.849 253.762 243.076 1.00 0.00 C +ATOM 60 CA GLN A 60 272.057 254.073 243.261 1.00 0.00 C +ATOM 61 CA GLY A 61 269.473 253.129 245.897 1.00 0.00 C +ATOM 62 CA VAL A 62 269.031 249.455 246.803 1.00 0.00 C +ATOM 63 CA PRO A 63 269.818 247.803 250.145 1.00 0.00 C +ATOM 64 CA GLU A 64 268.695 245.407 252.886 1.00 0.00 C +ATOM 65 CA SER A 65 271.764 244.837 255.071 1.00 0.00 C +ATOM 66 CA PRO A 66 273.875 247.951 255.674 1.00 0.00 C +ATOM 67 CA PHE A 67 275.669 251.020 254.303 1.00 0.00 C +ATOM 68 CA ALA A 68 278.760 252.166 256.214 1.00 0.00 C +ATOM 69 CA ARG A 69 277.514 253.186 259.667 1.00 0.00 C +ATOM 70 CA THR A 70 275.067 256.031 260.327 1.00 0.00 C +ATOM 71 CA GLY A 71 271.424 257.121 260.095 1.00 0.00 C +ATOM 72 CA GLU A 72 268.957 256.490 257.261 1.00 0.00 C +ATOM 73 CA GLY A 73 265.712 255.116 258.707 1.00 0.00 C +ATOM 74 CA LEU A 74 264.364 251.949 257.073 1.00 0.00 C +ATOM 75 CA ASP A 75 266.343 251.120 253.925 1.00 0.00 C +ATOM 76 CA VAL A 76 265.842 253.666 251.135 1.00 0.00 C +ATOM 77 CA ARG A 77 264.827 257.338 251.042 1.00 0.00 C +ATOM 78 CA GLY A 78 262.696 260.414 250.329 1.00 0.00 C +ATOM 79 CA THR A 79 263.961 263.230 248.095 1.00 0.00 C +ATOM 80 CA SER A 80 261.271 265.281 246.343 1.00 0.00 C +ATOM 81 CA GLY A 81 258.161 264.677 244.226 1.00 0.00 C +ATOM 82 CA PHE A 82 254.822 265.547 242.610 1.00 0.00 C +ATOM 83 CA PRO A 83 253.973 267.402 239.392 1.00 0.00 C +ATOM 84 CA TRP A 84 253.253 270.991 238.335 1.00 0.00 C +ATOM 85 CA ASP A 85 252.940 274.640 239.382 1.00 0.00 C +ATOM 86 CA ILE A 86 255.051 276.206 242.141 1.00 0.00 C +ATOM 87 CA LEU A 87 255.374 274.906 245.708 1.00 0.00 C +ATOM 88 CA PHE A 88 256.480 274.439 249.324 1.00 0.00 C +ATOM 89 CA PRO A 89 257.175 271.547 251.704 1.00 0.00 C +ATOM 90 CA SER A 90 258.142 268.163 253.165 1.00 0.00 C +ATOM 91 CA ASP A 91 256.369 265.961 255.719 1.00 0.00 C +ATOM 92 CA PRO A 92 254.194 267.009 258.667 1.00 0.00 C +ATOM 93 CA PRO A 93 253.438 266.402 262.351 1.00 0.00 C +ATOM 94 CA PHE A 94 250.567 264.975 264.409 1.00 0.00 C +ATOM 95 CA SER A 95 247.667 264.558 266.846 1.00 0.00 C +ATOM 96 CA PRO A 96 245.252 264.223 269.773 1.00 0.00 C +ATOM 97 CA GLN A 97 243.142 261.133 270.495 1.00 0.00 C +ATOM 98 CA SER A 98 241.796 257.662 269.687 1.00 0.00 C +ATOM 99 CA CYS A 99 240.124 255.008 267.525 1.00 0.00 C +ATOM 100 CA ARG A 100 238.865 252.000 265.554 1.00 0.00 C +ATOM 101 CA PRO A 101 236.085 249.561 266.470 1.00 0.00 C +ATOM 102 CA GLN A 102 236.764 246.240 268.210 1.00 0.00 C +TER 103 GLN A 102 +END diff --git a/Viruses/Q2I7C9/Q2I7C9.dcd b/Viruses/Q2I7C9/Q2I7C9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..624b943d98a11d592aada2effb41b9900d964627 --- /dev/null +++ b/Viruses/Q2I7C9/Q2I7C9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:57414cb3ce5d512d57ecde0e5355c8b7989d617c0ca299064c529deab6f9b1d8 +size 13040276 diff --git a/Viruses/Q2I7C9/top.pdb b/Viruses/Q2I7C9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..cc24b09cfe6781b1bd1096ce737f7e680342a93e --- /dev/null +++ b/Viruses/Q2I7C9/top.pdb @@ -0,0 +1,106 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LYS A 1 254.537 228.792 280.693 1.00 0.00 C +ATOM 2 CA GLN A 2 254.496 230.607 277.343 1.00 0.00 C +ATOM 3 CA LEU A 3 253.266 234.202 277.070 1.00 0.00 C +ATOM 4 CA ALA A 4 251.386 234.353 273.759 1.00 0.00 C +ATOM 5 CA GLY A 5 248.628 236.041 271.745 1.00 0.00 C +ATOM 6 CA GLY A 6 246.028 237.859 273.855 1.00 0.00 C +ATOM 7 CA GLY A 7 242.639 237.557 272.142 1.00 0.00 C +ATOM 8 CA LYS A 8 239.639 237.459 269.794 1.00 0.00 C +ATOM 9 CA ARG A 9 240.500 235.042 266.978 1.00 0.00 C +ATOM 10 CA LEU A 10 239.445 232.963 263.965 1.00 0.00 C +ATOM 11 CA SER A 11 236.173 234.183 262.442 1.00 0.00 C +ATOM 12 CA GLY A 12 232.743 235.788 262.029 1.00 0.00 C +ATOM 13 CA GLU A 13 229.619 237.550 260.743 1.00 0.00 C +ATOM 14 CA GLU A 14 228.410 241.152 260.460 1.00 0.00 C +ATOM 15 CA GLU A 15 228.144 244.593 262.073 1.00 0.00 C +ATOM 16 CA GLU A 16 228.289 247.650 259.803 1.00 0.00 C +ATOM 17 CA GLU A 17 231.257 249.892 260.627 1.00 0.00 C +ATOM 18 CA LEU A 18 229.816 252.728 262.724 1.00 0.00 C +ATOM 19 CA LYS A 19 228.228 252.182 266.144 1.00 0.00 C +ATOM 20 CA ARG A 20 228.823 253.447 269.688 1.00 0.00 C +ATOM 21 CA LEU A 21 230.272 251.404 272.559 1.00 0.00 C +ATOM 22 CA THR A 22 229.113 247.887 273.453 1.00 0.00 C +ATOM 23 CA ARG A 23 229.056 244.503 275.204 1.00 0.00 C +ATOM 24 CA GLU A 24 229.103 240.782 276.020 1.00 0.00 C +ATOM 25 CA ASP A 25 230.455 237.724 274.194 1.00 0.00 C +ATOM 26 CA GLU A 26 232.021 236.774 270.853 1.00 0.00 C +ATOM 27 CA GLU A 27 231.743 239.723 268.457 1.00 0.00 C +ATOM 28 CA ARG A 28 233.920 242.844 268.260 1.00 0.00 C +ATOM 29 CA GLU A 29 232.655 246.392 268.830 1.00 0.00 C +ATOM 30 CA ARG A 30 235.097 249.232 269.528 1.00 0.00 C +ATOM 31 CA ARG A 31 237.254 252.292 268.822 1.00 0.00 C +ATOM 32 CA THR A 32 238.832 253.468 272.085 1.00 0.00 C +ATOM 33 CA ALA A 33 239.388 255.668 275.145 1.00 0.00 C +ATOM 34 CA GLY A 34 238.925 254.676 278.795 1.00 0.00 C +ATOM 35 CA PRO A 35 238.600 251.756 281.221 1.00 0.00 C +ATOM 36 CA PRO A 36 238.468 248.187 282.548 1.00 0.00 C +ATOM 37 CA THR A 37 238.956 245.476 279.916 1.00 0.00 C +ATOM 38 CA GLY A 38 238.664 246.191 276.185 1.00 0.00 C +ATOM 39 CA GLY A 39 241.485 248.482 275.038 1.00 0.00 C +ATOM 40 CA VAL A 40 244.973 248.562 273.509 1.00 0.00 C +ATOM 41 CA ASN A 41 247.812 250.214 271.578 1.00 0.00 C +ATOM 42 CA PRO A 42 249.009 247.792 268.891 1.00 0.00 C +ATOM 43 CA LEU A 43 251.536 248.984 266.300 1.00 0.00 C +ATOM 44 CA GLU A 44 253.656 248.147 263.248 1.00 0.00 C +ATOM 45 CA GLY A 45 254.301 248.636 259.525 1.00 0.00 C +ATOM 46 CA GLU A 46 253.080 251.707 257.629 1.00 0.00 C +ATOM 47 CA ARG A 47 250.726 254.233 256.018 1.00 0.00 C +ATOM 48 CA ARG A 48 250.716 253.545 252.271 1.00 0.00 C +ATOM 49 CA GLY A 49 251.953 252.623 248.787 1.00 0.00 C +ATOM 50 CA ALA A 50 250.275 251.174 245.688 1.00 0.00 C +ATOM 51 CA PRO A 51 247.141 252.367 243.879 1.00 0.00 C +ATOM 52 CA GLY A 52 244.181 250.968 241.930 1.00 0.00 C +ATOM 53 CA GLY A 53 242.732 251.673 238.477 1.00 0.00 C +ATOM 54 CA GLY A 54 242.696 252.886 234.866 1.00 0.00 C +ATOM 55 CA PHE A 55 244.717 254.207 231.919 1.00 0.00 C +ATOM 56 CA VAL A 56 247.890 255.716 230.445 1.00 0.00 C +ATOM 57 CA PRO A 57 250.609 254.343 228.156 1.00 0.00 C +ATOM 58 CA SER A 58 251.325 250.683 228.933 1.00 0.00 C +ATOM 59 CA MET A 59 251.609 247.551 231.084 1.00 0.00 C +ATOM 60 CA GLN A 60 252.306 246.087 234.532 1.00 0.00 C +ATOM 61 CA GLY A 61 249.042 244.743 235.966 1.00 0.00 C +ATOM 62 CA ILE A 62 247.380 243.880 239.283 1.00 0.00 C +ATOM 63 CA PRO A 63 250.123 244.121 241.916 1.00 0.00 C +ATOM 64 CA GLU A 64 253.126 244.865 244.140 1.00 0.00 C +ATOM 65 CA SER A 65 256.288 244.053 246.105 1.00 0.00 C +ATOM 66 CA PRO A 66 258.331 240.957 246.974 1.00 0.00 C +ATOM 67 CA PHE A 67 258.522 237.471 248.501 1.00 0.00 C +ATOM 68 CA HIS A 68 259.028 233.961 247.109 1.00 0.00 C +ATOM 69 CA ARG A 69 258.395 234.296 243.367 1.00 0.00 C +ATOM 70 CA HIS A 70 259.665 237.565 241.880 1.00 0.00 C +ATOM 71 CA GLY A 71 256.702 239.783 240.978 1.00 0.00 C +ATOM 72 CA GLU A 72 257.360 242.086 238.015 1.00 0.00 C +ATOM 73 CA GLY A 73 260.886 243.185 237.079 1.00 0.00 C +ATOM 74 CA LEU A 74 261.467 244.033 233.411 1.00 0.00 C +ATOM 75 CA ASP A 75 258.744 244.385 230.770 1.00 0.00 C +ATOM 76 CA THR A 76 258.020 243.523 227.130 1.00 0.00 C +ATOM 77 CA ARG A 77 254.346 242.919 226.320 1.00 0.00 C +ATOM 78 CA GLY A 78 251.514 241.975 223.953 1.00 0.00 C +ATOM 79 CA THR A 79 249.971 243.795 220.982 1.00 0.00 C +ATOM 80 CA GLN A 80 251.523 246.845 219.308 1.00 0.00 C +ATOM 81 CA GLY A 81 255.066 248.028 220.061 1.00 0.00 C +ATOM 82 CA PHE A 82 256.422 251.575 219.745 1.00 0.00 C +ATOM 83 CA PRO A 83 258.384 252.724 216.688 1.00 0.00 C +ATOM 84 CA TRP A 84 257.725 256.463 216.369 1.00 0.00 C +ATOM 85 CA ASP A 85 259.383 259.189 218.451 1.00 0.00 C +ATOM 86 CA ILE A 86 259.365 259.931 222.188 1.00 0.00 C +ATOM 87 CA LEU A 87 261.755 262.697 223.261 1.00 0.00 C +ATOM 88 CA PHE A 88 264.480 265.357 223.391 1.00 0.00 C +ATOM 89 CA PRO A 89 268.149 264.339 223.270 1.00 0.00 C +ATOM 90 CA ALA A 90 271.242 264.312 221.045 1.00 0.00 C +ATOM 91 CA ASP A 91 274.638 265.366 222.412 1.00 0.00 C +ATOM 92 CA PRO A 92 275.118 267.648 225.426 1.00 0.00 C +ATOM 93 CA PRO A 93 277.247 270.160 227.342 1.00 0.00 C +ATOM 94 CA PHE A 94 275.473 272.501 229.768 1.00 0.00 C +ATOM 95 CA SER A 95 272.087 273.193 231.371 1.00 0.00 C +ATOM 96 CA PRO A 96 271.885 275.747 234.192 1.00 0.00 C +ATOM 97 CA GLN A 97 272.515 275.686 237.949 1.00 0.00 C +ATOM 98 CA SER A 98 273.494 279.240 238.913 1.00 0.00 C +ATOM 99 CA CYS A 99 275.008 282.623 238.030 1.00 0.00 C +ATOM 100 CA ARG A 100 276.813 285.779 236.893 1.00 0.00 C +ATOM 101 CA PRO A 101 280.446 285.788 235.746 1.00 0.00 C +ATOM 102 CA GLN A 102 283.561 283.614 235.449 1.00 0.00 C +TER 103 GLN A 102 +END diff --git a/Viruses/Q2I7D5/Q2I7D5.dcd b/Viruses/Q2I7D5/Q2I7D5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..7ed6d311b568da6ae21fa0f0bb5a84b0430b8ce7 --- /dev/null +++ b/Viruses/Q2I7D5/Q2I7D5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f468bf71311cb9b25e1b563a77d06a05b3755c8dbbe1745068786b032dcf9f58 +size 13040276 diff --git a/Viruses/Q2I7D5/top.pdb b/Viruses/Q2I7D5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1bdffee8be4bf77675b9cc91294302aa6d0d2bda --- /dev/null +++ b/Viruses/Q2I7D5/top.pdb @@ -0,0 +1,106 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LYS A 1 240.193 235.485 225.844 1.00 0.00 C +ATOM 2 CA GLN A 2 238.616 238.881 226.546 1.00 0.00 C +ATOM 3 CA LEU A 3 240.402 241.150 229.033 1.00 0.00 C +ATOM 4 CA SER A 4 239.327 244.774 228.556 1.00 0.00 C +ATOM 5 CA ALA A 5 237.761 245.729 231.895 1.00 0.00 C +ATOM 6 CA GLY A 6 235.133 244.801 234.494 1.00 0.00 C +ATOM 7 CA GLY A 7 235.070 241.022 234.969 1.00 0.00 C +ATOM 8 CA LYS A 8 231.791 239.636 233.612 1.00 0.00 C +ATOM 9 CA ASN A 9 228.644 238.836 231.619 1.00 0.00 C +ATOM 10 CA LEU A 10 225.459 236.765 231.335 1.00 0.00 C +ATOM 11 CA SER A 11 224.472 233.624 229.419 1.00 0.00 C +ATOM 12 CA LYS A 12 224.709 229.824 229.264 1.00 0.00 C +ATOM 13 CA GLU A 13 224.837 226.807 231.586 1.00 0.00 C +ATOM 14 CA GLU A 14 226.824 223.564 231.352 1.00 0.00 C +ATOM 15 CA GLU A 15 226.161 219.978 230.249 1.00 0.00 C +ATOM 16 CA GLU A 16 226.431 216.574 228.561 1.00 0.00 C +ATOM 17 CA GLU A 17 229.908 215.090 228.083 1.00 0.00 C +ATOM 18 CA LEU A 18 232.296 217.998 227.488 1.00 0.00 C +ATOM 19 CA LYS A 19 235.417 217.637 229.643 1.00 0.00 C +ATOM 20 CA ARG A 20 238.824 217.056 231.246 1.00 0.00 C +ATOM 21 CA LEU A 21 240.009 219.798 233.611 1.00 0.00 C +ATOM 22 CA THR A 22 243.122 221.326 235.190 1.00 0.00 C +ATOM 23 CA LYS A 23 246.182 223.251 233.988 1.00 0.00 C +ATOM 24 CA GLU A 24 244.950 225.766 231.405 1.00 0.00 C +ATOM 25 CA ASP A 25 244.926 229.386 230.216 1.00 0.00 C +ATOM 26 CA GLU A 26 247.100 231.739 232.278 1.00 0.00 C +ATOM 27 CA GLU A 27 246.655 232.039 236.050 1.00 0.00 C +ATOM 28 CA ARG A 28 244.232 231.651 238.964 1.00 0.00 C +ATOM 29 CA LYS A 29 240.529 231.844 239.842 1.00 0.00 C +ATOM 30 CA ARG A 30 238.661 231.298 243.117 1.00 0.00 C +ATOM 31 CA ARG A 31 236.440 233.221 245.543 1.00 0.00 C +ATOM 32 CA VAL A 32 232.744 232.841 244.700 1.00 0.00 C +ATOM 33 CA ALA A 33 230.696 230.543 246.946 1.00 0.00 C +ATOM 34 CA GLY A 34 232.632 229.962 250.176 1.00 0.00 C +ATOM 35 CA PRO A 35 232.735 230.195 253.977 1.00 0.00 C +ATOM 36 CA PRO A 36 236.186 230.569 255.548 1.00 0.00 C +ATOM 37 CA PRO A 37 239.205 232.115 257.284 1.00 0.00 C +ATOM 38 CA GLY A 38 240.893 235.507 257.683 1.00 0.00 C +ATOM 39 CA GLY A 39 242.818 238.746 257.114 1.00 0.00 C +ATOM 40 CA VAL A 40 244.323 241.911 255.621 1.00 0.00 C +ATOM 41 CA ASN A 41 248.120 242.178 255.452 1.00 0.00 C +ATOM 42 CA PRO A 42 251.487 240.396 255.382 1.00 0.00 C +ATOM 43 CA LEU A 43 254.622 239.356 253.483 1.00 0.00 C +ATOM 44 CA GLU A 44 257.888 240.708 252.062 1.00 0.00 C +ATOM 45 CA GLY A 45 261.110 242.741 252.151 1.00 0.00 C +ATOM 46 CA GLY A 46 263.434 240.998 254.617 1.00 0.00 C +ATOM 47 CA SER A 47 265.984 239.006 256.628 1.00 0.00 C +ATOM 48 CA ARG A 48 269.551 239.766 255.526 1.00 0.00 C +ATOM 49 CA GLY A 49 272.478 241.854 254.265 1.00 0.00 C +ATOM 50 CA ALA A 50 274.151 242.337 250.877 1.00 0.00 C +ATOM 51 CA PRO A 51 271.619 242.386 248.031 1.00 0.00 C +ATOM 52 CA GLY A 52 268.433 244.259 247.107 1.00 0.00 C +ATOM 53 CA GLY A 53 268.369 247.980 247.924 1.00 0.00 C +ATOM 54 CA GLY A 54 270.753 250.950 248.043 1.00 0.00 C +ATOM 55 CA PHE A 55 270.165 253.805 250.496 1.00 0.00 C +ATOM 56 CA VAL A 56 271.246 255.358 253.803 1.00 0.00 C +ATOM 57 CA PRO A 57 273.005 254.267 257.001 1.00 0.00 C +ATOM 58 CA SER A 58 275.137 256.417 259.314 1.00 0.00 C +ATOM 59 CA MET A 59 277.145 259.271 260.844 1.00 0.00 C +ATOM 60 CA GLN A 60 279.750 260.103 258.191 1.00 0.00 C +ATOM 61 CA GLY A 61 278.197 262.911 256.137 1.00 0.00 C +ATOM 62 CA VAL A 62 275.333 264.445 258.126 1.00 0.00 C +ATOM 63 CA PRO A 63 273.660 267.367 256.343 1.00 0.00 C +ATOM 64 CA GLU A 64 274.963 270.617 257.845 1.00 0.00 C +ATOM 65 CA SER A 65 277.413 273.310 256.720 1.00 0.00 C +ATOM 66 CA PRO A 66 280.608 274.176 254.835 1.00 0.00 C +ATOM 67 CA PHE A 67 280.223 274.431 251.053 1.00 0.00 C +ATOM 68 CA ALA A 68 278.593 276.881 248.631 1.00 0.00 C +ATOM 69 CA ARG A 69 275.380 277.256 246.619 1.00 0.00 C +ATOM 70 CA THR A 70 272.713 275.242 244.789 1.00 0.00 C +ATOM 71 CA GLY A 71 269.445 274.055 246.346 1.00 0.00 C +ATOM 72 CA GLU A 72 267.975 272.447 249.472 1.00 0.00 C +ATOM 73 CA GLY A 73 264.963 274.532 250.522 1.00 0.00 C +ATOM 74 CA LEU A 74 263.749 275.889 253.868 1.00 0.00 C +ATOM 75 CA ASP A 75 260.439 276.062 255.747 1.00 0.00 C +ATOM 76 CA ILE A 76 257.331 275.462 253.626 1.00 0.00 C +ATOM 77 CA ARG A 77 253.908 273.788 253.657 1.00 0.00 C +ATOM 78 CA GLY A 78 250.696 271.783 253.236 1.00 0.00 C +ATOM 79 CA THR A 79 249.841 269.281 255.979 1.00 0.00 C +ATOM 80 CA GLN A 80 251.536 268.479 259.296 1.00 0.00 C +ATOM 81 CA GLY A 81 251.303 268.895 263.076 1.00 0.00 C +ATOM 82 CA PHE A 82 250.391 271.130 266.024 1.00 0.00 C +ATOM 83 CA PRO A 83 247.591 273.610 265.297 1.00 0.00 C +ATOM 84 CA TRP A 84 246.255 277.146 264.822 1.00 0.00 C +ATOM 85 CA ASP A 85 242.997 276.655 262.909 1.00 0.00 C +ATOM 86 CA ARG A 86 243.986 276.948 259.241 1.00 0.00 C +ATOM 87 CA LEU A 87 243.496 273.800 257.152 1.00 0.00 C +ATOM 88 CA PHE A 88 243.529 270.471 259.005 1.00 0.00 C +ATOM 89 CA PRO A 89 243.778 266.865 260.210 1.00 0.00 C +ATOM 90 CA SER A 90 243.337 263.538 262.012 1.00 0.00 C +ATOM 91 CA ASP A 91 240.536 260.987 262.418 1.00 0.00 C +ATOM 92 CA PRO A 92 237.403 262.566 260.932 1.00 0.00 C +ATOM 93 CA PRO A 93 234.708 264.652 262.634 1.00 0.00 C +ATOM 94 CA PHE A 94 234.962 266.799 265.771 1.00 0.00 C +ATOM 95 CA SER A 95 237.051 267.993 268.725 1.00 0.00 C +ATOM 96 CA PRO A 96 238.591 265.279 270.911 1.00 0.00 C +ATOM 97 CA GLN A 97 240.616 262.221 271.943 1.00 0.00 C +ATOM 98 CA SER A 98 240.728 261.687 275.713 1.00 0.00 C +ATOM 99 CA CYS A 99 243.713 261.220 278.034 1.00 0.00 C +ATOM 100 CA ARG A 100 247.484 260.773 278.343 1.00 0.00 C +ATOM 101 CA PRO A 101 248.975 261.978 281.636 1.00 0.00 C +ATOM 102 CA GLN A 102 249.842 263.302 285.102 1.00 0.00 C +TER 103 GLN A 102 +END diff --git a/Viruses/Q2I7D8/Q2I7D8.dcd b/Viruses/Q2I7D8/Q2I7D8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..df3a786389b587d32292dffaab50bbc78ae1967f --- /dev/null +++ b/Viruses/Q2I7D8/Q2I7D8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:262e980b47938ceac297c6dd16906e2c75d5d316525b866b7cdeaeec191c5a51 +size 13040276 diff --git a/Viruses/Q2I7D8/top.pdb b/Viruses/Q2I7D8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3ea2409a752161dd5cc67e3994fa693b682e26e8 --- /dev/null +++ b/Viruses/Q2I7D8/top.pdb @@ -0,0 +1,106 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ARG A 1 264.688 281.929 246.941 1.00 0.00 C +ATOM 2 CA GLN A 2 263.034 281.515 250.349 1.00 0.00 C +ATOM 3 CA LEU A 3 260.579 281.747 253.253 1.00 0.00 C +ATOM 4 CA SER A 4 261.774 281.725 256.871 1.00 0.00 C +ATOM 5 CA ALA A 5 263.991 281.645 259.968 1.00 0.00 C +ATOM 6 CA GLY A 6 266.478 278.760 260.039 1.00 0.00 C +ATOM 7 CA GLY A 7 268.086 275.390 260.797 1.00 0.00 C +ATOM 8 CA LYS A 8 267.795 273.035 257.816 1.00 0.00 C +ATOM 9 CA SER A 9 266.884 274.547 254.440 1.00 0.00 C +ATOM 10 CA LEU A 10 264.624 274.693 251.376 1.00 0.00 C +ATOM 11 CA SER A 11 263.537 274.728 247.725 1.00 0.00 C +ATOM 12 CA ARG A 12 263.047 273.619 244.113 1.00 0.00 C +ATOM 13 CA GLU A 13 266.248 273.722 242.049 1.00 0.00 C +ATOM 14 CA GLU A 14 268.129 273.109 238.793 1.00 0.00 C +ATOM 15 CA GLU A 15 267.631 272.299 235.104 1.00 0.00 C +ATOM 16 CA GLU A 16 264.145 270.807 234.734 1.00 0.00 C +ATOM 17 CA GLU A 17 260.375 270.301 234.964 1.00 0.00 C +ATOM 18 CA LEU A 18 257.544 268.308 236.555 1.00 0.00 C +ATOM 19 CA GLY A 19 258.772 265.761 239.108 1.00 0.00 C +ATOM 20 CA ARG A 20 260.492 262.367 238.913 1.00 0.00 C +ATOM 21 CA LEU A 21 259.143 258.905 239.757 1.00 0.00 C +ATOM 22 CA THR A 22 258.966 257.909 243.430 1.00 0.00 C +ATOM 23 CA GLU A 23 259.943 254.329 244.295 1.00 0.00 C +ATOM 24 CA GLU A 24 256.843 252.609 245.691 1.00 0.00 C +ATOM 25 CA ASP A 25 257.159 249.045 247.002 1.00 0.00 C +ATOM 26 CA GLU A 26 256.685 245.991 244.774 1.00 0.00 C +ATOM 27 CA LYS A 27 259.255 243.277 245.510 1.00 0.00 C +ATOM 28 CA ARG A 28 257.342 239.991 245.757 1.00 0.00 C +ATOM 29 CA LYS A 29 257.653 236.278 246.555 1.00 0.00 C +ATOM 30 CA ARG A 30 254.810 234.562 248.422 1.00 0.00 C +ATOM 31 CA ARG A 31 252.781 236.510 250.992 1.00 0.00 C +ATOM 32 CA VAL A 32 254.414 239.638 252.429 1.00 0.00 C +ATOM 33 CA ALA A 33 252.162 242.622 251.697 1.00 0.00 C +ATOM 34 CA GLY A 34 250.902 245.630 253.667 1.00 0.00 C +ATOM 35 CA PRO A 35 249.157 249.015 253.775 1.00 0.00 C +ATOM 36 CA SER A 36 250.006 251.936 251.480 1.00 0.00 C +ATOM 37 CA VAL A 37 250.851 253.989 248.383 1.00 0.00 C +ATOM 38 CA GLY A 38 248.340 255.703 246.087 1.00 0.00 C +ATOM 39 CA GLY A 39 244.976 254.364 244.900 1.00 0.00 C +ATOM 40 CA VAL A 40 241.390 253.996 246.133 1.00 0.00 C +ATOM 41 CA ASN A 41 240.610 250.590 247.652 1.00 0.00 C +ATOM 42 CA PRO A 42 238.201 248.184 245.941 1.00 0.00 C +ATOM 43 CA LEU A 43 234.582 247.730 244.840 1.00 0.00 C +ATOM 44 CA GLU A 44 232.234 249.863 246.951 1.00 0.00 C +ATOM 45 CA GLY A 45 231.882 253.478 248.100 1.00 0.00 C +ATOM 46 CA ALA A 46 229.232 254.338 250.699 1.00 0.00 C +ATOM 47 CA PRO A 47 227.056 253.642 253.748 1.00 0.00 C +ATOM 48 CA ARG A 48 223.705 251.869 253.363 1.00 0.00 C +ATOM 49 CA GLY A 49 223.689 250.156 249.960 1.00 0.00 C +ATOM 50 CA ALA A 50 224.416 251.669 246.540 1.00 0.00 C +ATOM 51 CA PRO A 51 226.314 249.853 243.780 1.00 0.00 C +ATOM 52 CA GLY A 52 227.025 246.253 242.754 1.00 0.00 C +ATOM 53 CA GLY A 53 225.585 243.354 244.763 1.00 0.00 C +ATOM 54 CA GLY A 54 222.140 243.218 246.384 1.00 0.00 C +ATOM 55 CA PHE A 55 219.129 241.390 244.934 1.00 0.00 C +ATOM 56 CA VAL A 56 219.650 237.699 244.145 1.00 0.00 C +ATOM 57 CA PRO A 57 219.010 234.545 246.183 1.00 0.00 C +ATOM 58 CA SER A 58 221.255 232.411 248.402 1.00 0.00 C +ATOM 59 CA MET A 59 220.664 230.649 251.728 1.00 0.00 C +ATOM 60 CA GLN A 60 222.346 231.898 254.910 1.00 0.00 C +ATOM 61 CA GLY A 61 220.600 234.883 256.511 1.00 0.00 C +ATOM 62 CA VAL A 62 221.750 237.411 259.119 1.00 0.00 C +ATOM 63 CA PRO A 63 222.075 239.401 262.352 1.00 0.00 C +ATOM 64 CA GLU A 64 225.203 240.438 264.264 1.00 0.00 C +ATOM 65 CA SER A 65 228.080 242.316 265.910 1.00 0.00 C +ATOM 66 CA PRO A 66 230.703 244.217 263.904 1.00 0.00 C +ATOM 67 CA PHE A 67 233.220 242.065 262.020 1.00 0.00 C +ATOM 68 CA HIS A 68 236.085 240.282 260.252 1.00 0.00 C +ATOM 69 CA ARG A 69 238.545 237.431 259.668 1.00 0.00 C +ATOM 70 CA THR A 70 241.577 238.440 257.594 1.00 0.00 C +ATOM 71 CA GLY A 71 243.774 235.853 255.863 1.00 0.00 C +ATOM 72 CA GLU A 72 244.228 232.111 256.416 1.00 0.00 C +ATOM 73 CA GLY A 73 245.706 230.373 253.365 1.00 0.00 C +ATOM 74 CA LEU A 74 246.926 226.850 252.577 1.00 0.00 C +ATOM 75 CA ASP A 75 249.985 224.732 253.399 1.00 0.00 C +ATOM 76 CA THR A 76 252.588 224.711 256.181 1.00 0.00 C +ATOM 77 CA ARG A 77 255.755 226.784 255.743 1.00 0.00 C +ATOM 78 CA GLY A 78 255.972 228.138 252.188 1.00 0.00 C +ATOM 79 CA ASN A 79 258.556 226.521 249.903 1.00 0.00 C +ATOM 80 CA GLN A 80 261.867 228.276 250.590 1.00 0.00 C +ATOM 81 CA GLY A 81 264.935 229.082 248.479 1.00 0.00 C +ATOM 82 CA PHE A 82 264.237 231.375 245.518 1.00 0.00 C +ATOM 83 CA PRO A 83 264.215 234.934 246.877 1.00 0.00 C +ATOM 84 CA TRP A 84 266.918 237.506 246.109 1.00 0.00 C +ATOM 85 CA ASP A 85 268.151 240.075 243.579 1.00 0.00 C +ATOM 86 CA ILE A 86 265.651 242.782 242.611 1.00 0.00 C +ATOM 87 CA LEU A 87 265.135 245.468 245.263 1.00 0.00 C +ATOM 88 CA PHE A 88 263.875 248.927 244.282 1.00 0.00 C +ATOM 89 CA PRO A 89 266.823 251.335 244.450 1.00 0.00 C +ATOM 90 CA SER A 90 268.678 253.159 247.234 1.00 0.00 C +ATOM 91 CA ASP A 91 271.340 254.268 249.724 1.00 0.00 C +ATOM 92 CA PRO A 92 271.698 251.398 252.205 1.00 0.00 C +ATOM 93 CA PRO A 93 272.224 251.933 255.940 1.00 0.00 C +ATOM 94 CA PHE A 94 269.461 250.122 257.839 1.00 0.00 C +ATOM 95 CA SER A 95 266.095 248.678 256.791 1.00 0.00 C +ATOM 96 CA PRO A 96 264.743 251.171 254.247 1.00 0.00 C +ATOM 97 CA GLN A 97 262.437 253.615 256.042 1.00 0.00 C +ATOM 98 CA SER A 98 259.175 255.425 255.265 1.00 0.00 C +ATOM 99 CA CYS A 99 256.199 257.794 255.051 1.00 0.00 C +ATOM 100 CA ARG A 100 255.424 259.087 251.552 1.00 0.00 C +ATOM 101 CA PRO A 101 251.707 259.920 251.569 1.00 0.00 C +ATOM 102 CA GLN A 102 248.325 261.620 251.135 1.00 0.00 C +TER 103 GLN A 102 +END diff --git a/Viruses/Q2I7D9/Q2I7D9.dcd b/Viruses/Q2I7D9/Q2I7D9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..56675d06989c2d55688ffd4cfd0305c9ce713da3 --- /dev/null +++ b/Viruses/Q2I7D9/Q2I7D9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ad71128f3a8e78d93518b2c5f55d5b801a97c20eefd0eb06cae7b81b65b44149 +size 13040276 diff --git a/Viruses/Q2I7D9/top.pdb b/Viruses/Q2I7D9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a984ffdfce338a86a45c8127f2f7689fd7f2dbc3 --- /dev/null +++ b/Viruses/Q2I7D9/top.pdb @@ -0,0 +1,106 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLU A 1 243.778 226.955 252.883 1.00 0.00 C +ATOM 2 CA ALA A 2 243.382 229.709 255.486 1.00 0.00 C +ATOM 3 CA ALA A 3 239.708 229.660 256.492 1.00 0.00 C +ATOM 4 CA GLU A 4 237.739 226.764 257.992 1.00 0.00 C +ATOM 5 CA ARG A 5 234.003 227.371 258.426 1.00 0.00 C +ATOM 6 CA GLY A 6 233.597 231.137 258.014 1.00 0.00 C +ATOM 7 CA ARG A 7 230.633 232.636 256.147 1.00 0.00 C +ATOM 8 CA GLU A 8 227.146 233.740 255.081 1.00 0.00 C +ATOM 9 CA SER A 9 223.862 232.182 253.940 1.00 0.00 C +ATOM 10 CA LEU A 10 222.409 228.872 255.144 1.00 0.00 C +ATOM 11 CA SER A 11 223.933 226.074 253.053 1.00 0.00 C +ATOM 12 CA ARG A 12 225.427 223.801 250.385 1.00 0.00 C +ATOM 13 CA GLU A 13 228.128 222.183 248.240 1.00 0.00 C +ATOM 14 CA GLU A 14 226.360 219.335 246.428 1.00 0.00 C +ATOM 15 CA GLU A 15 222.848 218.707 245.091 1.00 0.00 C +ATOM 16 CA GLU A 16 219.505 218.561 246.911 1.00 0.00 C +ATOM 17 CA GLU A 17 217.852 220.678 249.614 1.00 0.00 C +ATOM 18 CA LEU A 18 218.745 224.363 249.245 1.00 0.00 C +ATOM 19 CA LYS A 19 218.617 226.244 245.934 1.00 0.00 C +ATOM 20 CA ARG A 20 218.182 229.890 244.917 1.00 0.00 C +ATOM 21 CA LEU A 21 216.837 233.320 245.887 1.00 0.00 C +ATOM 22 CA THR A 22 214.656 233.636 248.995 1.00 0.00 C +ATOM 23 CA GLU A 23 215.683 234.578 252.540 1.00 0.00 C +ATOM 24 CA GLU A 24 219.025 236.407 252.614 1.00 0.00 C +ATOM 25 CA ASP A 25 221.920 238.883 252.562 1.00 0.00 C +ATOM 26 CA GLU A 26 224.696 238.925 249.952 1.00 0.00 C +ATOM 27 CA LYS A 27 228.410 238.089 250.089 1.00 0.00 C +ATOM 28 CA ARG A 28 230.089 235.040 248.540 1.00 0.00 C +ATOM 29 CA GLU A 29 233.851 234.444 248.446 1.00 0.00 C +ATOM 30 CA ARG A 30 236.761 234.265 245.993 1.00 0.00 C +ATOM 31 CA ARG A 31 238.615 230.947 245.739 1.00 0.00 C +ATOM 32 CA VAL A 32 240.544 227.910 244.485 1.00 0.00 C +ATOM 33 CA ALA A 33 240.475 224.500 242.786 1.00 0.00 C +ATOM 34 CA GLY A 34 241.019 224.776 239.025 1.00 0.00 C +ATOM 35 CA PRO A 35 241.677 228.076 237.238 1.00 0.00 C +ATOM 36 CA GLN A 36 243.545 230.231 234.712 1.00 0.00 C +ATOM 37 CA VAL A 37 243.685 233.775 233.320 1.00 0.00 C +ATOM 38 CA GLY A 38 240.853 236.157 234.228 1.00 0.00 C +ATOM 39 CA GLY A 39 240.543 239.866 233.417 1.00 0.00 C +ATOM 40 CA VAL A 40 239.761 241.833 230.249 1.00 0.00 C +ATOM 41 CA ASN A 41 237.095 244.232 228.963 1.00 0.00 C +ATOM 42 CA PRO A 42 235.877 246.952 231.336 1.00 0.00 C +ATOM 43 CA LEU A 43 234.036 248.128 234.457 1.00 0.00 C +ATOM 44 CA GLU A 44 235.414 250.362 237.218 1.00 0.00 C +ATOM 45 CA GLY A 45 236.531 253.267 239.416 1.00 0.00 C +ATOM 46 CA SER A 46 238.086 254.870 242.503 1.00 0.00 C +ATOM 47 CA SER A 47 237.491 255.808 246.148 1.00 0.00 C +ATOM 48 CA ARG A 48 236.268 257.145 249.499 1.00 0.00 C +ATOM 49 CA GLY A 49 234.992 254.204 251.558 1.00 0.00 C +ATOM 50 CA ALA A 50 235.774 253.935 255.277 1.00 0.00 C +ATOM 51 CA PRO A 51 237.424 256.316 257.752 1.00 0.00 C +ATOM 52 CA GLY A 52 240.814 257.658 256.646 1.00 0.00 C +ATOM 53 CA GLY A 53 243.971 259.699 256.026 1.00 0.00 C +ATOM 54 CA GLY A 54 244.368 262.441 258.641 1.00 0.00 C +ATOM 55 CA PHE A 55 248.043 262.832 259.564 1.00 0.00 C +ATOM 56 CA VAL A 56 251.762 262.835 260.393 1.00 0.00 C +ATOM 57 CA PRO A 57 253.192 264.874 263.277 1.00 0.00 C +ATOM 58 CA SER A 58 253.616 264.194 267.002 1.00 0.00 C +ATOM 59 CA MET A 59 251.096 264.679 269.818 1.00 0.00 C +ATOM 60 CA GLN A 60 248.564 265.639 272.498 1.00 0.00 C +ATOM 61 CA GLY A 61 248.554 268.141 275.371 1.00 0.00 C +ATOM 62 CA VAL A 62 250.453 269.479 278.391 1.00 0.00 C +ATOM 63 CA PRO A 63 253.900 270.970 277.746 1.00 0.00 C +ATOM 64 CA GLU A 64 256.945 270.553 275.494 1.00 0.00 C +ATOM 65 CA SER A 65 257.848 267.674 273.168 1.00 0.00 C +ATOM 66 CA PRO A 66 259.756 269.154 270.221 1.00 0.00 C +ATOM 67 CA PHE A 67 263.218 269.379 268.645 1.00 0.00 C +ATOM 68 CA ALA A 68 266.665 267.791 268.976 1.00 0.00 C +ATOM 69 CA ARG A 69 269.441 265.689 267.429 1.00 0.00 C +ATOM 70 CA THR A 70 269.601 262.546 269.578 1.00 0.00 C +ATOM 71 CA GLY A 71 271.621 261.992 272.761 1.00 0.00 C +ATOM 72 CA GLU A 72 273.492 265.090 273.950 1.00 0.00 C +ATOM 73 CA GLY A 73 274.408 267.509 271.153 1.00 0.00 C +ATOM 74 CA LEU A 74 277.584 266.029 269.657 1.00 0.00 C +ATOM 75 CA ASP A 75 280.305 268.569 270.469 1.00 0.00 C +ATOM 76 CA ILE A 76 283.282 269.007 268.132 1.00 0.00 C +ATOM 77 CA ARG A 77 285.269 270.857 265.459 1.00 0.00 C +ATOM 78 CA GLY A 78 284.998 271.058 261.664 1.00 0.00 C +ATOM 79 CA THR A 79 286.257 269.843 258.279 1.00 0.00 C +ATOM 80 CA GLN A 80 283.892 271.061 255.552 1.00 0.00 C +ATOM 81 CA GLY A 81 282.640 269.115 252.525 1.00 0.00 C +ATOM 82 CA PHE A 82 281.217 265.844 251.187 1.00 0.00 C +ATOM 83 CA PRO A 83 277.649 265.414 249.922 1.00 0.00 C +ATOM 84 CA TRP A 84 276.218 262.211 248.434 1.00 0.00 C +ATOM 85 CA ASP A 85 278.400 261.132 245.503 1.00 0.00 C +ATOM 86 CA ILE A 86 277.327 259.475 242.244 1.00 0.00 C +ATOM 87 CA LEU A 87 279.244 259.032 238.982 1.00 0.00 C +ATOM 88 CA PHE A 88 281.057 259.104 235.632 1.00 0.00 C +ATOM 89 CA PRO A 89 283.706 261.800 235.155 1.00 0.00 C +ATOM 90 CA SER A 90 284.672 264.586 232.743 1.00 0.00 C +ATOM 91 CA ASP A 91 282.069 266.871 231.155 1.00 0.00 C +ATOM 92 CA PRO A 92 282.404 266.320 227.400 1.00 0.00 C +ATOM 93 CA PRO A 93 281.871 262.887 225.836 1.00 0.00 C +ATOM 94 CA PHE A 94 278.123 262.212 225.735 1.00 0.00 C +ATOM 95 CA SER A 95 275.286 262.140 223.193 1.00 0.00 C +ATOM 96 CA PRO A 96 272.293 260.094 224.363 1.00 0.00 C +ATOM 97 CA GLN A 97 268.830 260.921 225.719 1.00 0.00 C +ATOM 98 CA SER A 98 267.527 260.702 229.293 1.00 0.00 C +ATOM 99 CA CYS A 99 266.658 264.283 230.259 1.00 0.00 C +ATOM 100 CA ARG A 100 264.414 266.917 228.665 1.00 0.00 C +ATOM 101 CA PRO A 101 260.610 266.783 228.484 1.00 0.00 C +ATOM 102 CA GLN A 102 257.386 265.175 227.245 1.00 0.00 C +TER 103 GLN A 102 +END diff --git a/Viruses/Q2KRX9/Q2KRX9.dcd b/Viruses/Q2KRX9/Q2KRX9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..65a15200d3ef192d99cf1ea9691ee860008dd33a --- /dev/null +++ b/Viruses/Q2KRX9/Q2KRX9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:25834127a6a423def9e86de48e3f44860eb1c2046a0dd8175eeac908d3837372 +size 14480276 diff --git a/Viruses/Q2KRX9/top.pdb b/Viruses/Q2KRX9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e34d3415b3926c063ca465918b95525726887545 --- /dev/null +++ b/Viruses/Q2KRX9/top.pdb @@ -0,0 +1,118 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 255.469 311.959 256.740 1.00 0.00 C +ATOM 2 CA SER A 2 256.468 312.962 260.277 1.00 0.00 C +ATOM 3 CA THR A 3 256.278 310.138 262.828 1.00 0.00 C +ATOM 4 CA ALA A 4 258.489 308.856 265.654 1.00 0.00 C +ATOM 5 CA ALA A 5 258.348 311.287 268.584 1.00 0.00 C +ATOM 6 CA SER A 6 255.096 311.291 270.569 1.00 0.00 C +ATOM 7 CA SER A 7 253.190 309.769 273.496 1.00 0.00 C +ATOM 8 CA ARG A 8 250.806 306.803 273.683 1.00 0.00 C +ATOM 9 CA MET A 9 247.179 305.869 274.384 1.00 0.00 C +ATOM 10 CA GLN A 10 244.506 303.761 272.672 1.00 0.00 C +ATOM 11 CA VAL A 11 243.892 301.945 269.380 1.00 0.00 C +ATOM 12 CA PHE A 12 240.366 302.211 267.961 1.00 0.00 C +ATOM 13 CA SER A 13 237.062 302.626 266.110 1.00 0.00 C +ATOM 14 CA GLY A 14 235.021 300.083 264.139 1.00 0.00 C +ATOM 15 CA ARG A 15 234.873 298.733 260.579 1.00 0.00 C +ATOM 16 CA SER A 16 237.424 296.232 259.256 1.00 0.00 C +ATOM 17 CA THR A 17 239.670 293.331 258.227 1.00 0.00 C +ATOM 18 CA ARG A 18 238.345 291.358 255.249 1.00 0.00 C +ATOM 19 CA THR A 19 237.176 287.939 254.038 1.00 0.00 C +ATOM 20 CA TYR A 20 238.873 285.026 252.264 1.00 0.00 C +ATOM 21 CA PRO A 21 241.168 281.986 252.189 1.00 0.00 C +ATOM 22 CA ARG A 22 244.663 280.937 251.096 1.00 0.00 C +ATOM 23 CA ALA A 23 247.683 283.257 250.960 1.00 0.00 C +ATOM 24 CA ALA A 24 250.057 283.284 253.939 1.00 0.00 C +ATOM 25 CA PRO A 25 252.268 283.256 257.042 1.00 0.00 C +ATOM 26 CA THR A 26 251.247 285.911 259.576 1.00 0.00 C +ATOM 27 CA TYR A 27 252.580 284.700 262.934 1.00 0.00 C +ATOM 28 CA HIS A 28 254.120 281.610 264.544 1.00 0.00 C +ATOM 29 CA CYS A 29 255.416 279.279 261.824 1.00 0.00 C +ATOM 30 CA ARG A 30 257.039 279.859 258.426 1.00 0.00 C +ATOM 31 CA PRO A 31 256.765 278.369 254.930 1.00 0.00 C +ATOM 32 CA CYS A 32 254.188 276.917 252.528 1.00 0.00 C +ATOM 33 CA ARG A 33 252.259 274.144 254.291 1.00 0.00 C +ATOM 34 CA ARG A 34 252.772 271.955 257.367 1.00 0.00 C +ATOM 35 CA VAL A 35 251.400 268.425 257.780 1.00 0.00 C +ATOM 36 CA PRO A 36 251.752 264.832 259.000 1.00 0.00 C +ATOM 37 CA SER A 37 249.488 262.421 260.892 1.00 0.00 C +ATOM 38 CA ARG A 38 247.263 259.878 259.132 1.00 0.00 C +ATOM 39 CA PRO A 39 248.662 256.679 257.607 1.00 0.00 C +ATOM 40 CA CYS A 40 252.395 255.922 257.699 1.00 0.00 C +ATOM 41 CA ARG A 41 254.140 253.086 255.847 1.00 0.00 C +ATOM 42 CA PRO A 42 257.034 253.952 253.526 1.00 0.00 C +ATOM 43 CA VAL A 43 258.486 256.870 251.552 1.00 0.00 C +ATOM 44 CA ARG A 44 261.722 256.149 249.676 1.00 0.00 C +ATOM 45 CA ALA A 45 264.392 255.169 252.212 1.00 0.00 C +ATOM 46 CA LEU A 46 264.501 257.138 255.472 1.00 0.00 C +ATOM 47 CA ASP A 47 264.910 254.570 258.258 1.00 0.00 C +ATOM 48 CA THR A 48 267.409 252.818 260.538 1.00 0.00 C +ATOM 49 CA ALA A 49 270.104 251.102 258.463 1.00 0.00 C +ATOM 50 CA SER A 50 272.376 248.080 258.935 1.00 0.00 C +ATOM 51 CA LYS A 51 272.049 245.029 256.675 1.00 0.00 C +ATOM 52 CA HIS A 52 269.150 242.751 257.634 1.00 0.00 C +ATOM 53 CA ALA A 53 266.621 239.954 258.185 1.00 0.00 C +ATOM 54 CA ARG A 54 264.681 238.232 260.975 1.00 0.00 C +ATOM 55 CA SER A 55 265.266 239.375 264.563 1.00 0.00 C +ATOM 56 CA ASN A 56 262.417 241.379 266.107 1.00 0.00 C +ATOM 57 CA ARG A 57 259.621 241.612 263.530 1.00 0.00 C +ATOM 58 CA ALA A 58 257.181 238.973 262.265 1.00 0.00 C +ATOM 59 CA THR A 59 253.603 239.056 260.958 1.00 0.00 C +ATOM 60 CA ALA A 60 253.128 236.749 257.964 1.00 0.00 C +ATOM 61 CA ALA A 61 252.315 233.096 258.682 1.00 0.00 C +ATOM 62 CA GLN A 62 252.241 229.976 256.497 1.00 0.00 C +ATOM 63 CA THR A 63 254.233 229.400 253.300 1.00 0.00 C +ATOM 64 CA GLU A 64 254.396 231.603 250.196 1.00 0.00 C +ATOM 65 CA LYS A 65 253.849 235.367 250.409 1.00 0.00 C +ATOM 66 CA GLN A 66 256.306 238.234 249.896 1.00 0.00 C +ATOM 67 CA GLY A 67 257.883 238.813 246.476 1.00 0.00 C +ATOM 68 CA HIS A 68 259.310 237.975 243.044 1.00 0.00 C +ATOM 69 CA GLY A 69 259.363 237.879 239.236 1.00 0.00 C +ATOM 70 CA GLY A 70 259.753 234.512 237.497 1.00 0.00 C +ATOM 71 CA SER A 71 257.663 231.533 236.368 1.00 0.00 C +ATOM 72 CA ALA A 72 254.111 231.564 234.990 1.00 0.00 C +ATOM 73 CA GLN A 73 251.071 231.928 237.259 1.00 0.00 C +ATOM 74 CA GLY A 74 247.916 230.805 235.442 1.00 0.00 C +ATOM 75 CA ALA A 75 245.395 230.739 232.586 1.00 0.00 C +ATOM 76 CA ARG A 76 243.127 232.414 230.023 1.00 0.00 C +ATOM 77 CA ASN A 77 239.529 232.540 231.270 1.00 0.00 C +ATOM 78 CA PRO A 78 237.435 231.210 234.161 1.00 0.00 C +ATOM 79 CA ALA A 79 233.923 230.006 235.017 1.00 0.00 C +ATOM 80 CA SER A 80 232.815 226.910 236.942 1.00 0.00 C +ATOM 81 CA HIS A 81 231.554 226.412 240.503 1.00 0.00 C +ATOM 82 CA ARG A 82 231.454 223.118 242.415 1.00 0.00 C +ATOM 83 CA HIS A 83 228.863 220.860 244.057 1.00 0.00 C +ATOM 84 CA LEU A 84 229.492 218.353 246.857 1.00 0.00 C +ATOM 85 CA HIS A 85 229.872 219.690 250.404 1.00 0.00 C +ATOM 86 CA GLN A 86 229.241 222.103 253.284 1.00 0.00 C +ATOM 87 CA ARG A 87 229.713 220.793 256.830 1.00 0.00 C +ATOM 88 CA THR A 88 230.812 218.497 259.665 1.00 0.00 C +ATOM 89 CA ARG A 89 232.179 214.955 259.983 1.00 0.00 C +ATOM 90 CA GLY A 90 235.121 213.426 258.106 1.00 0.00 C +ATOM 91 CA ASP A 91 237.382 216.106 256.615 1.00 0.00 C +ATOM 92 CA GLN A 92 239.460 214.962 253.634 1.00 0.00 C +ATOM 93 CA VAL A 93 239.865 213.609 250.095 1.00 0.00 C +ATOM 94 CA PRO A 94 238.093 211.418 247.531 1.00 0.00 C +ATOM 95 CA SER A 95 239.147 210.278 244.052 1.00 0.00 C +ATOM 96 CA GLU A 96 241.840 212.249 242.214 1.00 0.00 C +ATOM 97 CA PRO A 97 243.957 212.982 239.133 1.00 0.00 C +ATOM 98 CA PRO A 98 246.126 210.999 236.707 1.00 0.00 C +ATOM 99 CA SER A 99 245.802 211.031 232.911 1.00 0.00 C +ATOM 100 CA ARG A 100 246.197 214.327 231.041 1.00 0.00 C +ATOM 101 CA PRO A 101 244.183 213.997 227.824 1.00 0.00 C +ATOM 102 CA ARG A 102 245.996 216.033 225.163 1.00 0.00 C +ATOM 103 CA LYS A 103 245.125 219.514 223.880 1.00 0.00 C +ATOM 104 CA ASP A 104 247.663 222.349 223.700 1.00 0.00 C +ATOM 105 CA HIS A 105 250.719 222.579 221.436 1.00 0.00 C +ATOM 106 CA ALA A 106 253.323 221.929 218.732 1.00 0.00 C +ATOM 107 CA SER A 107 253.124 218.239 217.804 1.00 0.00 C +ATOM 108 CA GLN A 108 255.856 216.466 219.781 1.00 0.00 C +ATOM 109 CA SER A 109 255.488 214.324 222.909 1.00 0.00 C +ATOM 110 CA PRO A 110 258.260 211.715 222.751 1.00 0.00 C +ATOM 111 CA ASP A 111 262.024 211.465 223.282 1.00 0.00 C +ATOM 112 CA THR A 112 264.181 211.640 226.418 1.00 0.00 C +ATOM 113 CA ALA A 113 266.897 214.222 227.107 1.00 0.00 C +ATOM 114 CA TYR A 114 267.855 215.017 230.708 1.00 0.00 C +TER 115 TYR A 114 +END diff --git a/Viruses/Q2LGY8/Q2LGY8.dcd b/Viruses/Q2LGY8/Q2LGY8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..456fd32423ffe0c059a43ea4cdd0cfc9d04ce637 --- /dev/null +++ b/Viruses/Q2LGY8/Q2LGY8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:55c1d76b98379166be11a746f044b4cdbc05b8cf3967e5aad5757d62ef09c4b2 +size 20960276 diff --git a/Viruses/Q2LGY8/top.pdb b/Viruses/Q2LGY8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..81a7b265058b53f67251a2ce55bafc2f9bc0deff --- /dev/null +++ b/Viruses/Q2LGY8/top.pdb @@ -0,0 +1,172 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA PRO A 1 249.755 226.764 263.388 1.00 0.00 C +ATOM 2 CA PRO A 2 249.840 228.235 266.902 1.00 0.00 C +ATOM 3 CA VAL A 3 247.553 228.968 269.860 1.00 0.00 C +ATOM 4 CA GLU A 4 248.027 227.978 273.508 1.00 0.00 C +ATOM 5 CA PRO A 5 249.137 230.537 276.104 1.00 0.00 C +ATOM 6 CA SER A 6 249.641 231.621 279.721 1.00 0.00 C +ATOM 7 CA LYS A 7 250.818 230.075 282.999 1.00 0.00 C +ATOM 8 CA LYS A 8 251.547 228.749 286.495 1.00 0.00 C +ATOM 9 CA THR A 9 251.763 224.960 286.832 1.00 0.00 C +ATOM 10 CA PRO A 10 253.831 222.105 285.387 1.00 0.00 C +ATOM 11 CA MET A 11 257.612 221.931 284.952 1.00 0.00 C +ATOM 12 CA THR A 12 259.131 219.896 282.111 1.00 0.00 C +ATOM 13 CA SER A 13 261.210 220.337 278.949 1.00 0.00 C +ATOM 14 CA ALA A 14 261.640 219.234 275.328 1.00 0.00 C +ATOM 15 CA VAL A 15 263.745 216.832 273.251 1.00 0.00 C +ATOM 16 CA ASP A 16 264.477 213.758 271.122 1.00 0.00 C +ATOM 17 CA LEU A 17 265.172 213.497 267.385 1.00 0.00 C +ATOM 18 CA ASN A 18 266.992 216.218 265.435 1.00 0.00 C +ATOM 19 CA THR A 19 266.080 219.088 263.102 1.00 0.00 C +ATOM 20 CA LYS A 20 267.262 222.640 263.812 1.00 0.00 C +ATOM 21 CA PRO A 21 267.126 225.425 261.215 1.00 0.00 C +ATOM 22 CA ASN A 22 269.794 228.020 260.402 1.00 0.00 C +ATOM 23 CA PRO A 23 268.584 231.598 260.902 1.00 0.00 C +ATOM 24 CA GLN A 24 271.289 234.113 261.836 1.00 0.00 C +ATOM 25 CA GLN A 25 269.626 237.456 262.591 1.00 0.00 C +ATOM 26 CA ALA A 26 267.076 240.069 261.500 1.00 0.00 C +ATOM 27 CA THR A 27 263.478 238.827 261.342 1.00 0.00 C +ATOM 28 CA GLN A 28 260.436 236.627 260.689 1.00 0.00 C +ATOM 29 CA LEU A 29 259.593 235.112 257.296 1.00 0.00 C +ATOM 30 CA THR A 30 257.922 231.830 256.319 1.00 0.00 C +ATOM 31 CA THR A 31 255.045 229.924 257.932 1.00 0.00 C +ATOM 32 CA GLU A 32 256.582 227.853 260.736 1.00 0.00 C +ATOM 33 CA ASP A 33 258.689 229.994 263.080 1.00 0.00 C +ATOM 34 CA SER A 34 257.244 232.838 265.163 1.00 0.00 C +ATOM 35 CA THR A 35 253.524 233.341 265.815 1.00 0.00 C +ATOM 36 CA SER A 36 252.364 235.508 268.726 1.00 0.00 C +ATOM 37 CA PRO A 37 251.227 238.989 269.777 1.00 0.00 C +ATOM 38 CA ALA A 38 247.572 239.992 269.382 1.00 0.00 C +ATOM 39 CA ALA A 39 245.605 237.940 266.844 1.00 0.00 C +ATOM 40 CA THR A 40 242.344 238.002 264.876 1.00 0.00 C +ATOM 41 CA LEU A 41 240.836 234.503 264.890 1.00 0.00 C +ATOM 42 CA GLU A 42 243.060 231.410 264.895 1.00 0.00 C +ATOM 43 CA GLY A 43 243.948 227.705 264.866 1.00 0.00 C +ATOM 44 CA HIS A 44 241.946 224.772 266.250 1.00 0.00 C +ATOM 45 CA LEU A 45 239.269 223.291 268.520 1.00 0.00 C +ATOM 46 CA HIS A 46 236.211 222.806 266.298 1.00 0.00 C +ATOM 47 CA THR A 47 234.304 219.508 266.326 1.00 0.00 C +ATOM 48 CA GLY A 48 235.754 216.041 266.952 1.00 0.00 C +ATOM 49 CA THR A 49 237.814 213.179 265.508 1.00 0.00 C +ATOM 50 CA THR A 50 237.213 211.495 262.143 1.00 0.00 C +ATOM 51 CA PRO A 51 237.196 212.490 258.465 1.00 0.00 C +ATOM 52 CA THR A 52 239.482 212.946 255.451 1.00 0.00 C +ATOM 53 CA PRO A 53 238.882 211.941 251.825 1.00 0.00 C +ATOM 54 CA ASP A 54 240.028 208.987 249.709 1.00 0.00 C +ATOM 55 CA ALA A 55 238.353 205.933 248.167 1.00 0.00 C +ATOM 56 CA THR A 56 236.295 202.809 247.445 1.00 0.00 C +ATOM 57 CA VAL A 57 236.513 202.199 243.690 1.00 0.00 C +ATOM 58 CA SER A 58 235.979 202.028 239.922 1.00 0.00 C +ATOM 59 CA GLN A 59 238.107 202.538 236.803 1.00 0.00 C +ATOM 60 CA GLN A 60 239.318 204.404 233.710 1.00 0.00 C +ATOM 61 CA THR A 61 242.431 206.472 234.449 1.00 0.00 C +ATOM 62 CA THR A 62 241.871 208.888 237.342 1.00 0.00 C +ATOM 63 CA ASP A 63 244.817 210.035 239.468 1.00 0.00 C +ATOM 64 CA GLU A 64 246.392 212.336 242.065 1.00 0.00 C +ATOM 65 CA HIS A 65 245.779 213.804 245.527 1.00 0.00 C +ATOM 66 CA THR A 66 247.920 215.571 248.137 1.00 0.00 C +ATOM 67 CA THR A 67 249.456 218.827 246.891 1.00 0.00 C +ATOM 68 CA LEU A 68 248.243 219.260 243.305 1.00 0.00 C +ATOM 69 CA LEU A 69 245.005 219.999 241.439 1.00 0.00 C +ATOM 70 CA ARG A 70 242.202 220.958 243.835 1.00 0.00 C +ATOM 71 CA SER A 71 239.368 220.511 246.343 1.00 0.00 C +ATOM 72 CA ALA A 72 237.030 220.220 249.337 1.00 0.00 C +ATOM 73 CA ASN A 73 235.194 218.477 252.184 1.00 0.00 C +ATOM 74 CA ARG A 74 233.757 218.857 255.692 1.00 0.00 C +ATOM 75 CA GLN A 75 232.899 221.933 257.770 1.00 0.00 C +ATOM 76 CA THR A 76 231.557 222.283 261.319 1.00 0.00 C +ATOM 77 CA THR A 77 228.288 223.120 263.086 1.00 0.00 C +ATOM 78 CA GLN A 78 227.287 222.535 266.715 1.00 0.00 C +ATOM 79 CA THR A 79 227.183 221.593 270.405 1.00 0.00 C +ATOM 80 CA THR A 80 229.745 223.492 272.489 1.00 0.00 C +ATOM 81 CA ALA A 81 229.538 227.294 272.350 1.00 0.00 C +ATOM 82 CA GLU A 82 232.974 228.907 272.018 1.00 0.00 C +ATOM 83 CA LYS A 83 233.822 232.612 271.758 1.00 0.00 C +ATOM 84 CA LYS A 84 234.924 233.582 268.242 1.00 0.00 C +ATOM 85 CA PRO A 85 231.861 234.192 266.059 1.00 0.00 C +ATOM 86 CA THR A 86 228.634 233.985 264.045 1.00 0.00 C +ATOM 87 CA ARG A 87 227.814 231.836 261.008 1.00 0.00 C +ATOM 88 CA ALA A 88 228.015 231.893 257.204 1.00 0.00 C +ATOM 89 CA THR A 89 228.882 233.894 254.079 1.00 0.00 C +ATOM 90 CA THR A 90 229.846 237.552 254.536 1.00 0.00 C +ATOM 91 CA LYS A 91 233.367 238.364 253.329 1.00 0.00 C +ATOM 92 CA LYS A 92 235.840 240.110 251.016 1.00 0.00 C +ATOM 93 CA GLU A 93 236.798 243.723 251.749 1.00 0.00 C +ATOM 94 CA THR A 94 239.717 245.236 253.676 1.00 0.00 C +ATOM 95 CA THR A 95 241.316 248.500 252.533 1.00 0.00 C +ATOM 96 CA THR A 96 242.052 251.839 250.852 1.00 0.00 C +ATOM 97 CA ARG A 97 242.502 255.484 251.863 1.00 0.00 C +ATOM 98 CA THR A 98 242.044 256.582 255.483 1.00 0.00 C +ATOM 99 CA THR A 99 243.733 259.207 257.667 1.00 0.00 C +ATOM 100 CA SER A 100 242.421 262.739 258.238 1.00 0.00 C +ATOM 101 CA THR A 101 243.137 266.223 256.872 1.00 0.00 C +ATOM 102 CA ALA A 102 242.823 266.986 253.153 1.00 0.00 C +ATOM 103 CA ALA A 103 245.338 265.264 250.867 1.00 0.00 C +ATOM 104 CA THR A 104 247.787 267.659 249.199 1.00 0.00 C +ATOM 105 CA GLN A 105 248.430 266.232 245.725 1.00 0.00 C +ATOM 106 CA THR A 106 250.212 265.559 242.426 1.00 0.00 C +ATOM 107 CA LEU A 107 253.174 263.258 243.095 1.00 0.00 C +ATOM 108 CA ASN A 108 256.112 261.012 242.178 1.00 0.00 C +ATOM 109 CA THR A 109 255.667 259.500 238.710 1.00 0.00 C +ATOM 110 CA THR A 110 257.384 257.705 235.820 1.00 0.00 C +ATOM 111 CA ASN A 111 261.139 257.858 236.444 1.00 0.00 C +ATOM 112 CA GLN A 112 262.613 261.371 236.403 1.00 0.00 C +ATOM 113 CA THR A 113 266.397 260.980 236.616 1.00 0.00 C +ATOM 114 CA SER A 114 269.424 263.286 236.423 1.00 0.00 C +ATOM 115 CA ASN A 115 270.899 262.853 232.937 1.00 0.00 C +ATOM 116 CA GLY A 116 274.306 261.176 233.254 1.00 0.00 C +ATOM 117 CA ARG A 117 276.866 263.247 231.338 1.00 0.00 C +ATOM 118 CA GLU A 118 277.410 262.659 227.613 1.00 0.00 C +ATOM 119 CA ALA A 119 276.892 265.966 225.793 1.00 0.00 C +ATOM 120 CA THR A 120 274.374 268.303 227.441 1.00 0.00 C +ATOM 121 CA THR A 121 272.049 271.127 228.510 1.00 0.00 C +ATOM 122 CA THR A 122 269.772 271.090 231.564 1.00 0.00 C +ATOM 123 CA SER A 123 265.965 270.939 231.517 1.00 0.00 C +ATOM 124 CA ALA A 124 263.693 271.718 234.474 1.00 0.00 C +ATOM 125 CA ARG A 125 261.622 274.228 236.455 1.00 0.00 C +ATOM 126 CA SER A 126 258.467 276.333 236.820 1.00 0.00 C +ATOM 127 CA ARG A 127 257.230 279.930 236.598 1.00 0.00 C +ATOM 128 CA ASN A 128 259.503 282.951 237.077 1.00 0.00 C +ATOM 129 CA ASN A 129 261.382 283.998 240.221 1.00 0.00 C +ATOM 130 CA ALA A 130 263.168 287.341 239.829 1.00 0.00 C +ATOM 131 CA THR A 131 266.388 289.072 238.754 1.00 0.00 C +ATOM 132 CA THR A 132 265.684 291.153 235.642 1.00 0.00 C +ATOM 133 CA GLN A 133 263.384 291.128 232.604 1.00 0.00 C +ATOM 134 CA SER A 134 262.359 293.699 229.986 1.00 0.00 C +ATOM 135 CA SER A 135 262.588 297.468 230.494 1.00 0.00 C +ATOM 136 CA ASP A 136 264.008 299.941 227.968 1.00 0.00 C +ATOM 137 CA GLN A 137 267.648 299.493 226.938 1.00 0.00 C +ATOM 138 CA THR A 138 271.352 299.809 227.773 1.00 0.00 C +ATOM 139 CA THR A 139 272.641 301.904 230.682 1.00 0.00 C +ATOM 140 CA GLN A 140 272.751 305.671 231.241 1.00 0.00 C +ATOM 141 CA ALA A 141 269.849 308.092 230.755 1.00 0.00 C +ATOM 142 CA ALA A 142 266.776 310.244 231.419 1.00 0.00 C +ATOM 143 CA ASP A 143 264.242 313.089 231.503 1.00 0.00 C +ATOM 144 CA PRO A 144 262.013 313.181 234.591 1.00 0.00 C +ATOM 145 CA SER A 145 261.231 313.580 238.299 1.00 0.00 C +ATOM 146 CA SER A 146 258.026 311.853 239.423 1.00 0.00 C +ATOM 147 CA GLN A 147 256.469 308.507 240.370 1.00 0.00 C +ATOM 148 CA SER A 148 253.873 305.777 240.937 1.00 0.00 C +ATOM 149 CA GLN A 149 255.821 302.539 240.452 1.00 0.00 C +ATOM 150 CA HIS A 150 258.390 302.203 237.659 1.00 0.00 C +ATOM 151 CA THR A 151 259.191 304.521 234.743 1.00 0.00 C +ATOM 152 CA GLN A 152 256.604 304.799 231.960 1.00 0.00 C +ATOM 153 CA LYS A 153 253.909 302.210 232.702 1.00 0.00 C +ATOM 154 CA SER A 154 250.206 303.094 232.542 1.00 0.00 C +ATOM 155 CA THR A 155 247.806 300.185 233.085 1.00 0.00 C +ATOM 156 CA THR A 156 244.728 298.129 233.986 1.00 0.00 C +ATOM 157 CA THR A 157 241.504 296.793 232.457 1.00 0.00 C +ATOM 158 CA THR A 158 237.850 297.678 231.840 1.00 0.00 C +ATOM 159 CA TYR A 159 237.281 297.576 228.074 1.00 0.00 C +ATOM 160 CA ASN A 160 236.389 294.211 226.525 1.00 0.00 C +ATOM 161 CA THR A 161 236.899 290.659 227.807 1.00 0.00 C +ATOM 162 CA ASP A 162 237.912 288.679 224.714 1.00 0.00 C +ATOM 163 CA THR A 163 236.397 287.079 221.606 1.00 0.00 C +ATOM 164 CA SER A 164 233.664 284.466 222.070 1.00 0.00 C +ATOM 165 CA SER A 165 229.935 284.791 222.782 1.00 0.00 C +ATOM 166 CA GLN A 166 226.589 283.356 223.904 1.00 0.00 C +ATOM 167 CA GLY A 167 225.595 282.884 227.552 1.00 0.00 C +ATOM 168 CA SER A 168 225.425 279.170 228.385 1.00 0.00 C +TER 169 SER A 168 +END diff --git a/Viruses/Q2NNY0/Q2NNY0.dcd b/Viruses/Q2NNY0/Q2NNY0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..7f9d2de42945f20d226d821147e1a64101ef8fb6 --- /dev/null +++ b/Viruses/Q2NNY0/Q2NNY0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5a1a967e77ceedcff6734b505692dbaef1647c9cc56468752ff33c3115214655 +size 7760276 diff --git a/Viruses/Q2NNY0/top.pdb b/Viruses/Q2NNY0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1f203225ad614961991eda233e1dfccce96cf312 --- /dev/null +++ b/Viruses/Q2NNY0/top.pdb @@ -0,0 +1,62 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 251.612 243.191 253.741 1.00 0.00 C +ATOM 2 CA VAL A 2 252.148 246.711 252.385 1.00 0.00 C +ATOM 3 CA TYR A 3 250.444 249.551 254.269 1.00 0.00 C +ATOM 4 CA ARG A 4 246.961 248.389 255.285 1.00 0.00 C +ATOM 5 CA ARG A 5 244.017 246.049 255.898 1.00 0.00 C +ATOM 6 CA ARG A 6 240.769 246.558 257.824 1.00 0.00 C +ATOM 7 CA ARG A 7 237.910 244.190 258.678 1.00 0.00 C +ATOM 8 CA SER A 8 236.417 242.448 255.635 1.00 0.00 C +ATOM 9 CA SER A 9 233.677 240.967 253.441 1.00 0.00 C +ATOM 10 CA ARG A 10 231.112 238.155 253.265 1.00 0.00 C +ATOM 11 CA SER A 11 229.935 236.078 250.296 1.00 0.00 C +ATOM 12 CA VAL A 12 229.468 237.081 246.650 1.00 0.00 C +ATOM 13 CA SER A 13 232.873 237.802 245.101 1.00 0.00 C +ATOM 14 CA GLY A 14 236.105 239.796 244.790 1.00 0.00 C +ATOM 15 CA THR A 15 236.223 243.602 244.909 1.00 0.00 C +ATOM 16 CA TYR A 16 236.798 245.512 248.155 1.00 0.00 C +ATOM 17 CA ARG A 17 239.247 247.765 250.010 1.00 0.00 C +ATOM 18 CA ARG A 18 242.135 248.507 247.638 1.00 0.00 C +ATOM 19 CA ARG A 19 245.883 247.945 248.027 1.00 0.00 C +ATOM 20 CA ARG A 20 248.549 247.112 245.436 1.00 0.00 C +ATOM 21 CA ARG A 21 249.799 244.368 243.106 1.00 0.00 C +ATOM 22 CA SER A 22 247.316 243.897 240.255 1.00 0.00 C +ATOM 23 CA SER A 23 246.903 244.185 236.478 1.00 0.00 C +ATOM 24 CA GLY A 24 249.937 245.994 235.051 1.00 0.00 C +ATOM 25 CA TYR A 25 252.981 246.651 237.246 1.00 0.00 C +ATOM 26 CA ARG A 26 256.079 245.372 235.433 1.00 0.00 C +ATOM 27 CA ARG A 27 259.635 244.268 236.242 1.00 0.00 C +ATOM 28 CA ARG A 28 259.987 243.803 240.007 1.00 0.00 C +ATOM 29 CA PRO A 29 263.587 242.967 240.932 1.00 0.00 C +ATOM 30 CA GLY A 30 265.870 240.474 242.690 1.00 0.00 C +ATOM 31 CA ARG A 31 266.829 238.635 245.886 1.00 0.00 C +ATOM 32 CA PRO A 32 267.988 241.130 248.522 1.00 0.00 C +ATOM 33 CA ARG A 33 266.459 244.620 248.490 1.00 0.00 C +ATOM 34 CA THR A 34 267.219 248.049 249.965 1.00 0.00 C +ATOM 35 CA TYR A 35 266.393 251.455 248.469 1.00 0.00 C +ATOM 36 CA ARG A 36 266.344 255.090 247.330 1.00 0.00 C +ATOM 37 CA ARG A 37 264.707 258.383 246.334 1.00 0.00 C +ATOM 38 CA SER A 38 265.423 261.853 244.931 1.00 0.00 C +ATOM 39 CA GLY A 39 264.194 264.965 246.753 1.00 0.00 C +ATOM 40 CA SER A 40 260.992 264.035 248.597 1.00 0.00 C +ATOM 41 CA ALA A 41 261.772 261.098 250.895 1.00 0.00 C +ATOM 42 CA THR A 42 258.398 259.884 252.183 1.00 0.00 C +ATOM 43 CA ARG A 43 257.154 260.629 255.706 1.00 0.00 C +ATOM 44 CA ARG A 44 254.964 258.455 257.939 1.00 0.00 C +ATOM 45 CA ARG A 45 253.119 255.360 259.181 1.00 0.00 C +ATOM 46 CA SER A 46 251.002 254.083 262.079 1.00 0.00 C +ATOM 47 CA ALA A 47 247.831 252.011 261.666 1.00 0.00 C +ATOM 48 CA SER A 48 244.081 252.435 262.188 1.00 0.00 C +ATOM 49 CA ARG A 49 242.755 255.480 264.056 1.00 0.00 C +ATOM 50 CA ARG A 50 241.924 259.072 265.015 1.00 0.00 C +ATOM 51 CA VAL A 51 242.310 261.246 261.910 1.00 0.00 C +ATOM 52 CA GLY A 52 243.073 262.349 258.343 1.00 0.00 C +ATOM 53 CA TYR A 53 246.836 262.447 257.757 1.00 0.00 C +ATOM 54 CA ARG A 54 248.991 259.930 255.877 1.00 0.00 C +ATOM 55 CA ARG A 55 249.607 258.236 252.520 1.00 0.00 C +ATOM 56 CA ARG A 56 247.369 258.543 249.451 1.00 0.00 C +ATOM 57 CA ARG A 57 247.833 260.170 246.037 1.00 0.00 C +ATOM 58 CA TYR A 58 250.053 260.969 243.046 1.00 0.00 C +TER 59 TYR A 58 +END diff --git a/Viruses/Q2PDL2/Q2PDL2.dcd b/Viruses/Q2PDL2/Q2PDL2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..4c0a65c1189f21d7f85683831674a26023b23da9 --- /dev/null +++ b/Viruses/Q2PDL2/Q2PDL2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5a92ececf93063d4360ff6007c0ef303a6e28174b6bf24779e26a3fb99d07ed3 +size 12320276 diff --git a/Viruses/Q2PDL2/top.pdb b/Viruses/Q2PDL2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..36f64a66fb3dfb1b44cf9092de5d98adc9314154 --- /dev/null +++ b/Viruses/Q2PDL2/top.pdb @@ -0,0 +1,100 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 289.039 220.820 213.515 1.00 0.00 C +ATOM 2 CA GLY A 2 285.921 222.451 214.978 1.00 0.00 C +ATOM 3 CA ALA A 3 285.580 221.252 218.578 1.00 0.00 C +ATOM 4 CA LEU A 4 286.173 217.657 219.694 1.00 0.00 C +ATOM 5 CA ILE A 5 288.053 216.973 222.937 1.00 0.00 C +ATOM 6 CA SER A 6 286.373 219.134 225.588 1.00 0.00 C +ATOM 7 CA THR A 7 286.511 217.893 229.187 1.00 0.00 C +ATOM 8 CA CYS A 8 285.935 217.027 232.852 1.00 0.00 C +ATOM 9 CA LEU A 9 285.645 218.847 236.186 1.00 0.00 C +ATOM 10 CA SER A 10 284.014 221.963 237.653 1.00 0.00 C +ATOM 11 CA ASN A 11 281.276 223.683 235.638 1.00 0.00 C +ATOM 12 CA SER A 12 281.030 226.255 232.838 1.00 0.00 C +ATOM 13 CA ARG A 13 280.565 227.978 229.472 1.00 0.00 C +ATOM 14 CA GLU A 14 277.428 230.120 229.762 1.00 0.00 C +ATOM 15 CA ASN A 15 274.984 229.868 232.674 1.00 0.00 C +ATOM 16 CA THR A 16 273.750 232.797 234.776 1.00 0.00 C +ATOM 17 CA SER A 17 272.837 236.091 236.458 1.00 0.00 C +ATOM 18 CA ALA A 18 272.609 238.452 239.440 1.00 0.00 C +ATOM 19 CA ARG A 19 274.086 237.480 242.815 1.00 0.00 C +ATOM 20 CA SER A 20 271.343 237.289 245.453 1.00 0.00 C +ATOM 21 CA SER A 21 271.131 236.873 249.234 1.00 0.00 C +ATOM 22 CA ASP A 22 270.717 235.614 252.806 1.00 0.00 C +ATOM 23 CA SER A 23 273.600 234.218 254.868 1.00 0.00 C +ATOM 24 CA SER A 24 274.539 234.316 258.560 1.00 0.00 C +ATOM 25 CA THR A 25 274.901 235.215 262.245 1.00 0.00 C +ATOM 26 CA TRP A 26 272.620 237.942 263.615 1.00 0.00 C +ATOM 27 CA TYR A 27 269.532 237.875 261.384 1.00 0.00 C +ATOM 28 CA PRO A 28 266.085 238.997 262.557 1.00 0.00 C +ATOM 29 CA GLN A 29 263.364 241.606 262.005 1.00 0.00 C +ATOM 30 CA PRO A 30 259.837 242.828 261.242 1.00 0.00 C +ATOM 31 CA GLY A 31 257.755 245.874 262.194 1.00 0.00 C +ATOM 32 CA GLN A 32 254.350 246.829 260.777 1.00 0.00 C +ATOM 33 CA HIS A 33 250.989 245.645 262.125 1.00 0.00 C +ATOM 34 CA ILE A 34 247.626 244.652 263.615 1.00 0.00 C +ATOM 35 CA SER A 35 244.066 245.351 262.453 1.00 0.00 C +ATOM 36 CA ILE A 36 240.548 244.937 261.048 1.00 0.00 C +ATOM 37 CA ARG A 37 237.627 246.199 258.953 1.00 0.00 C +ATOM 38 CA THR A 38 236.871 246.754 255.260 1.00 0.00 C +ATOM 39 CA PHE A 39 236.890 246.264 251.482 1.00 0.00 C +ATOM 40 CA ARG A 40 237.968 247.498 248.042 1.00 0.00 C +ATOM 41 CA GLU A 41 237.641 246.953 244.286 1.00 0.00 C +ATOM 42 CA LEU A 42 240.510 247.803 241.928 1.00 0.00 C +ATOM 43 CA ASN A 43 240.557 249.345 238.444 1.00 0.00 C +ATOM 44 CA PRO A 44 238.043 252.095 237.650 1.00 0.00 C +ATOM 45 CA ALA A 45 234.524 250.703 237.209 1.00 0.00 C +ATOM 46 CA PRO A 46 231.431 249.506 239.084 1.00 0.00 C +ATOM 47 CA THR A 47 229.952 246.016 239.465 1.00 0.00 C +ATOM 48 CA SER A 48 226.754 245.371 241.433 1.00 0.00 C +ATOM 49 CA SER A 49 224.439 248.269 242.306 1.00 0.00 C +ATOM 50 CA PRO A 50 223.259 251.176 240.144 1.00 0.00 C +ATOM 51 CA ILE A 51 225.665 253.449 238.258 1.00 0.00 C +ATOM 52 CA SER A 52 226.734 256.751 236.686 1.00 0.00 C +ATOM 53 CA THR A 53 229.587 258.334 238.654 1.00 0.00 C +ATOM 54 CA ARG A 54 230.321 262.063 238.385 1.00 0.00 C +ATOM 55 CA THR A 55 233.505 263.382 236.762 1.00 0.00 C +ATOM 56 CA GLU A 56 236.480 261.068 237.320 1.00 0.00 C +ATOM 57 CA THR A 57 239.994 261.230 235.857 1.00 0.00 C +ATOM 58 CA PRO A 58 241.628 259.690 232.778 1.00 0.00 C +ATOM 59 CA SER A 59 243.519 257.775 230.081 1.00 0.00 C +ATOM 60 CA ASN A 60 243.334 254.012 230.649 1.00 0.00 C +ATOM 61 CA GLY A 61 244.884 252.313 233.687 1.00 0.00 C +ATOM 62 CA GLU A 62 246.765 254.745 235.937 1.00 0.00 C +ATOM 63 CA SER A 63 244.594 256.417 238.585 1.00 0.00 C +ATOM 64 CA PHE A 64 242.811 258.689 241.070 1.00 0.00 C +ATOM 65 CA ARG A 65 243.706 258.203 244.741 1.00 0.00 C +ATOM 66 CA SER A 66 243.252 259.930 248.107 1.00 0.00 C +ATOM 67 CA THR A 67 245.692 261.135 250.774 1.00 0.00 C +ATOM 68 CA GLU A 68 248.259 263.267 252.611 1.00 0.00 C +ATOM 69 CA ASP A 69 249.527 262.635 256.148 1.00 0.00 C +ATOM 70 CA LEU A 70 249.797 258.996 257.244 1.00 0.00 C +ATOM 71 CA GLN A 71 248.122 258.829 260.663 1.00 0.00 C +ATOM 72 CA GLU A 72 246.041 260.405 263.438 1.00 0.00 C +ATOM 73 CA GLY A 73 244.412 258.147 266.038 1.00 0.00 C +ATOM 74 CA ASP A 74 242.757 255.097 267.611 1.00 0.00 C +ATOM 75 CA ASN A 75 241.825 254.453 271.249 1.00 0.00 C +ATOM 76 CA ASN A 76 241.868 255.877 274.783 1.00 0.00 C +ATOM 77 CA GLN A 77 244.017 254.855 277.758 1.00 0.00 C +ATOM 78 CA PRO A 78 244.538 257.704 280.234 1.00 0.00 C +ATOM 79 CA MET A 79 241.146 259.174 281.155 1.00 0.00 C +ATOM 80 CA THR A 80 239.420 260.404 277.990 1.00 0.00 C +ATOM 81 CA LEU A 81 238.963 263.113 275.350 1.00 0.00 C +ATOM 82 CA THR A 82 238.718 266.809 274.455 1.00 0.00 C +ATOM 83 CA PRO A 83 239.611 270.471 275.012 1.00 0.00 C +ATOM 84 CA LYS A 84 238.959 273.805 273.288 1.00 0.00 C +ATOM 85 CA ARG A 85 236.323 275.079 270.850 1.00 0.00 C +ATOM 86 CA LEU A 86 233.734 276.214 268.296 1.00 0.00 C +ATOM 87 CA THR A 87 230.345 276.923 269.887 1.00 0.00 C +ATOM 88 CA GLN A 88 226.895 276.857 271.501 1.00 0.00 C +ATOM 89 CA GLU A 89 224.279 279.497 270.660 1.00 0.00 C +ATOM 90 CA VAL A 90 221.164 281.283 269.386 1.00 0.00 C +ATOM 91 CA SER A 91 219.742 280.441 265.953 1.00 0.00 C +ATOM 92 CA GLN A 92 218.699 278.376 262.926 1.00 0.00 C +ATOM 93 CA ARG A 93 221.731 277.095 261.007 1.00 0.00 C +ATOM 94 CA LEU A 94 224.759 276.661 258.735 1.00 0.00 C +ATOM 95 CA LEU A 95 224.380 279.303 256.016 1.00 0.00 C +ATOM 96 CA MET A 96 226.216 282.285 254.516 1.00 0.00 C +TER 97 MET A 96 +END diff --git a/Viruses/Q2PZ57/Q2PZ57.dcd b/Viruses/Q2PZ57/Q2PZ57.dcd new file mode 100644 index 0000000000000000000000000000000000000000..522e894ead1f62341780511dba50a001cdabdc18 --- /dev/null +++ b/Viruses/Q2PZ57/Q2PZ57.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3ab1cc635e7b230c8a51cc667afa183176d2631fd74c7765f23e6a4bd46262a4 +size 11120276 diff --git a/Viruses/Q2PZ57/top.pdb b/Viruses/Q2PZ57/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1f87b8886c26cb03c6318740cd2df23b614699e5 --- /dev/null +++ b/Viruses/Q2PZ57/top.pdb @@ -0,0 +1,90 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LYS A 1 249.442 221.106 252.354 1.00 0.00 C +ATOM 2 CA LYS A 2 251.047 223.851 250.254 1.00 0.00 C +ATOM 3 CA ASP A 3 254.339 225.454 251.304 1.00 0.00 C +ATOM 4 CA LEU A 4 256.530 227.034 253.991 1.00 0.00 C +ATOM 5 CA LYS A 5 260.232 226.303 254.515 1.00 0.00 C +ATOM 6 CA PRO A 6 261.633 229.206 256.547 1.00 0.00 C +ATOM 7 CA GLN A 7 263.051 231.853 254.202 1.00 0.00 C +ATOM 8 CA THR A 8 262.284 235.154 252.461 1.00 0.00 C +ATOM 9 CA THR A 9 261.095 237.798 254.934 1.00 0.00 C +ATOM 10 CA LYS A 10 259.749 240.886 256.713 1.00 0.00 C +ATOM 11 CA PRO A 11 256.607 242.185 258.433 1.00 0.00 C +ATOM 12 CA LYS A 12 252.881 241.922 259.181 1.00 0.00 C +ATOM 13 CA GLU A 13 251.413 239.978 256.251 1.00 0.00 C +ATOM 14 CA VAL A 14 249.285 236.922 257.054 1.00 0.00 C +ATOM 15 CA PRO A 15 250.024 233.474 255.610 1.00 0.00 C +ATOM 16 CA THR A 16 248.025 230.511 254.289 1.00 0.00 C +ATOM 17 CA THR A 17 245.557 231.441 251.540 1.00 0.00 C +ATOM 18 CA LYS A 18 244.004 232.106 248.125 1.00 0.00 C +ATOM 19 CA PRO A 19 240.277 232.236 247.344 1.00 0.00 C +ATOM 20 CA THR A 20 236.571 232.923 247.899 1.00 0.00 C +ATOM 21 CA GLU A 21 233.886 234.911 246.068 1.00 0.00 C +ATOM 22 CA GLN A 22 234.518 238.287 244.419 1.00 0.00 C +ATOM 23 CA PRO A 23 237.195 240.847 243.526 1.00 0.00 C +ATOM 24 CA THR A 24 237.932 242.970 240.449 1.00 0.00 C +ATOM 25 CA ILE A 25 238.315 243.189 236.665 1.00 0.00 C +ATOM 26 CA TYR A 26 240.555 241.219 234.295 1.00 0.00 C +ATOM 27 CA THR A 27 241.249 243.021 231.011 1.00 0.00 C +ATOM 28 CA SER A 28 244.955 242.908 230.132 1.00 0.00 C +ATOM 29 CA LYS A 29 248.497 244.308 230.224 1.00 0.00 C +ATOM 30 CA THR A 30 250.737 247.310 229.528 1.00 0.00 C +ATOM 31 CA ILE A 31 252.269 250.789 229.262 1.00 0.00 C +ATOM 32 CA ILE A 32 255.403 251.067 231.410 1.00 0.00 C +ATOM 33 CA GLY A 33 255.751 247.959 233.586 1.00 0.00 C +ATOM 34 CA THR A 34 257.932 244.836 233.602 1.00 0.00 C +ATOM 35 CA THR A 35 256.914 241.295 234.572 1.00 0.00 C +ATOM 36 CA LEU A 36 257.828 237.607 234.291 1.00 0.00 C +ATOM 37 CA LEU A 37 258.857 234.130 235.462 1.00 0.00 C +ATOM 38 CA THR A 38 255.911 232.743 237.441 1.00 0.00 C +ATOM 39 CA PHE A 39 252.442 233.894 238.517 1.00 0.00 C +ATOM 40 CA ASN A 40 249.581 235.701 236.767 1.00 0.00 C +ATOM 41 CA THR A 41 249.243 239.442 237.402 1.00 0.00 C +ATOM 42 CA THR A 42 251.291 242.615 236.894 1.00 0.00 C +ATOM 43 CA GLY A 43 249.156 245.753 237.222 1.00 0.00 C +ATOM 44 CA ASN A 44 249.564 247.721 240.459 1.00 0.00 C +ATOM 45 CA PRO A 45 246.641 248.532 242.764 1.00 0.00 C +ATOM 46 CA GLU A 46 244.163 250.431 244.948 1.00 0.00 C +ATOM 47 CA HIS A 47 242.194 253.283 243.366 1.00 0.00 C +ATOM 48 CA THR A 48 240.724 254.430 240.043 1.00 0.00 C +ATOM 49 CA SER A 49 238.497 254.095 236.970 1.00 0.00 C +ATOM 50 CA GLN A 50 239.379 256.594 234.234 1.00 0.00 C +ATOM 51 CA LYS A 51 240.554 260.219 234.241 1.00 0.00 C +ATOM 52 CA GLU A 52 237.901 262.948 234.089 1.00 0.00 C +ATOM 53 CA THR A 53 237.972 266.148 232.021 1.00 0.00 C +ATOM 54 CA LEU A 54 239.754 268.177 229.333 1.00 0.00 C +ATOM 55 CA HIS A 55 241.891 270.848 227.654 1.00 0.00 C +ATOM 56 CA SER A 56 243.128 272.996 230.547 1.00 0.00 C +ATOM 57 CA THR A 57 244.725 270.545 232.988 1.00 0.00 C +ATOM 58 CA THR A 58 243.620 267.975 235.574 1.00 0.00 C +ATOM 59 CA SER A 59 244.419 264.353 236.447 1.00 0.00 C +ATOM 60 CA GLU A 60 247.766 263.639 238.122 1.00 0.00 C +ATOM 61 CA GLY A 61 248.263 263.510 241.897 1.00 0.00 C +ATOM 62 CA ASN A 62 247.424 266.698 243.807 1.00 0.00 C +ATOM 63 CA GLN A 63 247.526 270.420 244.617 1.00 0.00 C +ATOM 64 CA SER A 64 248.622 270.658 248.258 1.00 0.00 C +ATOM 65 CA PRO A 65 251.738 272.069 249.937 1.00 0.00 C +ATOM 66 CA SER A 66 254.034 274.184 252.121 1.00 0.00 C +ATOM 67 CA GLN A 67 254.775 272.954 255.650 1.00 0.00 C +ATOM 68 CA VAL A 68 256.783 273.125 258.884 1.00 0.00 C +ATOM 69 CA TYR A 69 259.041 275.054 261.270 1.00 0.00 C +ATOM 70 CA THR A 70 262.446 275.410 262.942 1.00 0.00 C +ATOM 71 CA THR A 71 264.155 272.996 265.344 1.00 0.00 C +ATOM 72 CA SER A 72 263.499 272.043 268.974 1.00 0.00 C +ATOM 73 CA GLU A 73 263.952 269.336 271.617 1.00 0.00 C +ATOM 74 CA TYR A 74 262.017 270.437 274.708 1.00 0.00 C +ATOM 75 CA LEU A 75 260.242 268.610 277.541 1.00 0.00 C +ATOM 76 CA SER A 76 256.932 266.903 276.734 1.00 0.00 C +ATOM 77 CA GLN A 77 256.391 263.588 278.532 1.00 0.00 C +ATOM 78 CA SER A 78 254.475 261.710 281.237 1.00 0.00 C +ATOM 79 CA LEU A 79 253.311 258.247 280.157 1.00 0.00 C +ATOM 80 CA SER A 80 251.292 256.301 282.736 1.00 0.00 C +ATOM 81 CA PRO A 81 249.563 252.909 282.590 1.00 0.00 C +ATOM 82 CA SER A 82 249.451 249.249 281.537 1.00 0.00 C +ATOM 83 CA ASN A 83 250.280 245.976 283.304 1.00 0.00 C +ATOM 84 CA THR A 84 248.271 243.738 285.643 1.00 0.00 C +ATOM 85 CA THR A 85 249.608 244.406 289.148 1.00 0.00 C +ATOM 86 CA TYR A 86 248.557 247.391 291.270 1.00 0.00 C +TER 87 TYR A 86 +END diff --git a/Viruses/Q2PZ59/Q2PZ59.dcd b/Viruses/Q2PZ59/Q2PZ59.dcd new file mode 100644 index 0000000000000000000000000000000000000000..ab5bc64d1be092320a9fda4724648696ff9c2a77 --- /dev/null +++ b/Viruses/Q2PZ59/Q2PZ59.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1f03df95214341f255f8d02da34b46dc4ce2e240f3dbbc0ed7b2cc138ad1453d +size 11120276 diff --git a/Viruses/Q2PZ59/top.pdb b/Viruses/Q2PZ59/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7308a7cdc897dec285c49b928b00a64217a6afb9 --- /dev/null +++ b/Viruses/Q2PZ59/top.pdb @@ -0,0 +1,90 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LYS A 1 268.728 205.303 265.461 1.00 0.00 C +ATOM 2 CA LYS A 2 271.780 206.117 263.331 1.00 0.00 C +ATOM 3 CA ASP A 3 275.586 206.222 263.457 1.00 0.00 C +ATOM 4 CA PRO A 4 277.974 204.957 266.143 1.00 0.00 C +ATOM 5 CA LYS A 5 277.984 203.476 269.654 1.00 0.00 C +ATOM 6 CA PRO A 6 275.156 201.876 271.642 1.00 0.00 C +ATOM 7 CA GLN A 7 271.732 201.010 273.073 1.00 0.00 C +ATOM 8 CA THR A 8 268.257 201.973 274.302 1.00 0.00 C +ATOM 9 CA THR A 9 265.418 201.462 271.814 1.00 0.00 C +ATOM 10 CA LYS A 10 264.644 199.363 268.730 1.00 0.00 C +ATOM 11 CA PRO A 11 264.904 199.813 264.956 1.00 0.00 C +ATOM 12 CA LYS A 12 265.619 201.171 261.468 1.00 0.00 C +ATOM 13 CA GLU A 13 265.526 201.786 257.710 1.00 0.00 C +ATOM 14 CA VAL A 14 266.188 205.391 256.666 1.00 0.00 C +ATOM 15 CA LEU A 15 265.734 209.162 256.956 1.00 0.00 C +ATOM 16 CA THR A 16 262.671 210.201 258.969 1.00 0.00 C +ATOM 17 CA THR A 17 260.464 213.164 259.898 1.00 0.00 C +ATOM 18 CA LYS A 18 257.365 213.236 262.115 1.00 0.00 C +ATOM 19 CA PRO A 19 253.696 212.822 263.054 1.00 0.00 C +ATOM 20 CA THR A 20 251.996 216.113 263.945 1.00 0.00 C +ATOM 21 CA GLU A 21 251.608 219.703 262.729 1.00 0.00 C +ATOM 22 CA LYS A 22 251.264 223.205 264.189 1.00 0.00 C +ATOM 23 CA PRO A 23 249.901 226.233 266.057 1.00 0.00 C +ATOM 24 CA THR A 24 246.550 227.587 264.851 1.00 0.00 C +ATOM 25 CA ILE A 25 243.743 228.856 262.610 1.00 0.00 C +ATOM 26 CA ASP A 26 241.530 231.420 260.864 1.00 0.00 C +ATOM 27 CA THR A 27 242.607 234.453 258.825 1.00 0.00 C +ATOM 28 CA THR A 28 241.647 236.322 255.646 1.00 0.00 C +ATOM 29 CA LYS A 29 241.286 237.022 251.919 1.00 0.00 C +ATOM 30 CA THR A 30 238.604 237.615 249.278 1.00 0.00 C +ATOM 31 CA ASN A 31 236.143 239.163 246.816 1.00 0.00 C +ATOM 32 CA ILE A 32 233.033 239.226 244.616 1.00 0.00 C +ATOM 33 CA ARG A 33 230.321 241.898 244.757 1.00 0.00 C +ATOM 34 CA THR A 34 227.681 243.970 242.953 1.00 0.00 C +ATOM 35 CA THR A 35 225.099 245.951 240.973 1.00 0.00 C +ATOM 36 CA LEU A 36 222.195 247.558 242.844 1.00 0.00 C +ATOM 37 CA LEU A 37 222.414 251.321 243.402 1.00 0.00 C +ATOM 38 CA THR A 38 224.895 252.515 240.768 1.00 0.00 C +ATOM 39 CA SER A 39 227.678 254.972 241.624 1.00 0.00 C +ATOM 40 CA ASN A 40 228.206 258.429 240.112 1.00 0.00 C +ATOM 41 CA THR A 41 226.305 259.995 237.205 1.00 0.00 C +ATOM 42 CA THR A 42 222.546 260.174 237.802 1.00 0.00 C +ATOM 43 CA GLY A 43 221.820 263.832 238.581 1.00 0.00 C +ATOM 44 CA ASN A 44 223.558 266.445 236.421 1.00 0.00 C +ATOM 45 CA PRO A 45 223.050 266.959 232.681 1.00 0.00 C +ATOM 46 CA GLU A 46 221.271 269.436 230.397 1.00 0.00 C +ATOM 47 CA HIS A 47 217.917 271.234 230.226 1.00 0.00 C +ATOM 48 CA THR A 48 215.407 270.652 227.419 1.00 0.00 C +ATOM 49 CA SER A 49 216.240 268.010 224.804 1.00 0.00 C +ATOM 50 CA GLN A 50 219.902 268.246 223.780 1.00 0.00 C +ATOM 51 CA GLU A 51 222.783 270.542 222.809 1.00 0.00 C +ATOM 52 CA GLU A 52 225.649 272.674 224.134 1.00 0.00 C +ATOM 53 CA THR A 53 229.133 271.230 223.591 1.00 0.00 C +ATOM 54 CA LEU A 54 230.809 271.188 227.012 1.00 0.00 C +ATOM 55 CA HIS A 55 231.228 268.689 229.858 1.00 0.00 C +ATOM 56 CA SER A 56 234.743 267.801 231.029 1.00 0.00 C +ATOM 57 CA THR A 57 238.054 266.540 232.430 1.00 0.00 C +ATOM 58 CA THR A 58 241.421 265.652 230.884 1.00 0.00 C +ATOM 59 CA SER A 59 245.133 264.891 231.281 1.00 0.00 C +ATOM 60 CA GLU A 60 247.147 267.672 232.932 1.00 0.00 C +ATOM 61 CA GLY A 61 248.017 270.685 235.095 1.00 0.00 C +ATOM 62 CA ASN A 62 248.373 274.475 234.926 1.00 0.00 C +ATOM 63 CA LEU A 63 249.732 277.435 236.902 1.00 0.00 C +ATOM 64 CA SER A 64 252.242 279.067 239.259 1.00 0.00 C +ATOM 65 CA ARG A 65 251.784 279.263 243.036 1.00 0.00 C +ATOM 66 CA SER A 66 254.221 280.836 245.507 1.00 0.00 C +ATOM 67 CA ARG A 67 257.530 280.594 247.380 1.00 0.00 C +ATOM 68 CA VAL A 68 261.150 281.446 248.211 1.00 0.00 C +ATOM 69 CA TYR A 69 264.669 281.020 249.608 1.00 0.00 C +ATOM 70 CA THR A 70 267.634 279.945 251.745 1.00 0.00 C +ATOM 71 CA THR A 71 267.429 276.560 253.481 1.00 0.00 C +ATOM 72 CA SER A 72 268.488 273.180 252.075 1.00 0.00 C +ATOM 73 CA GLU A 73 272.097 272.215 251.327 1.00 0.00 C +ATOM 74 CA TYR A 74 274.549 274.955 252.325 1.00 0.00 C +ATOM 75 CA LEU A 75 275.113 278.347 253.967 1.00 0.00 C +ATOM 76 CA SER A 76 275.059 282.156 253.912 1.00 0.00 C +ATOM 77 CA GLN A 77 274.131 283.549 257.335 1.00 0.00 C +ATOM 78 CA SER A 78 271.298 282.890 259.795 1.00 0.00 C +ATOM 79 CA PRO A 79 269.765 285.896 261.564 1.00 0.00 C +ATOM 80 CA SER A 80 266.151 286.447 262.636 1.00 0.00 C +ATOM 81 CA SER A 81 263.839 283.601 261.602 1.00 0.00 C +ATOM 82 CA SER A 82 265.450 280.487 263.093 1.00 0.00 C +ATOM 83 CA ASN A 83 268.413 280.828 265.463 1.00 0.00 C +ATOM 84 CA THR A 84 271.768 279.375 266.537 1.00 0.00 C +ATOM 85 CA THR A 85 273.331 276.847 264.153 1.00 0.00 C +ATOM 86 CA LYS A 86 275.823 274.003 264.614 1.00 0.00 C +TER 87 LYS A 86 +END diff --git a/Viruses/Q2PZ62/Q2PZ62.dcd b/Viruses/Q2PZ62/Q2PZ62.dcd new file mode 100644 index 0000000000000000000000000000000000000000..494e077f3b2f5bc9fa84638ee7426df0e9ad6e2f --- /dev/null +++ b/Viruses/Q2PZ62/Q2PZ62.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dd6cf96cfea9b95979e99e4e6ec19d34482949a9e4732647a40f2e6dbc5d1020 +size 11120276 diff --git a/Viruses/Q2PZ62/top.pdb b/Viruses/Q2PZ62/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2a44c3210cc96cac196cb436e54213a2bc2b5006 --- /dev/null +++ b/Viruses/Q2PZ62/top.pdb @@ -0,0 +1,90 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LYS A 1 231.476 246.258 203.595 1.00 0.00 C +ATOM 2 CA LYS A 2 229.385 247.540 206.510 1.00 0.00 C +ATOM 3 CA ASP A 3 230.438 251.062 207.512 1.00 0.00 C +ATOM 4 CA LEU A 4 232.032 254.026 209.297 1.00 0.00 C +ATOM 5 CA LYS A 5 231.475 253.448 213.022 1.00 0.00 C +ATOM 6 CA PRO A 6 231.174 250.237 215.051 1.00 0.00 C +ATOM 7 CA GLN A 7 229.866 248.998 218.408 1.00 0.00 C +ATOM 8 CA THR A 8 228.389 245.596 219.281 1.00 0.00 C +ATOM 9 CA THR A 9 231.046 243.827 221.362 1.00 0.00 C +ATOM 10 CA LYS A 10 234.217 242.736 223.171 1.00 0.00 C +ATOM 11 CA PRO A 11 237.964 242.138 222.832 1.00 0.00 C +ATOM 12 CA LYS A 12 239.196 238.959 224.532 1.00 0.00 C +ATOM 13 CA GLU A 13 239.817 237.927 228.147 1.00 0.00 C +ATOM 14 CA ILE A 14 238.881 239.959 231.231 1.00 0.00 C +ATOM 15 CA LEU A 15 238.308 239.749 234.991 1.00 0.00 C +ATOM 16 CA THR A 16 238.090 236.946 237.564 1.00 0.00 C +ATOM 17 CA THR A 17 240.044 233.949 236.254 1.00 0.00 C +ATOM 18 CA LYS A 18 243.302 234.025 238.226 1.00 0.00 C +ATOM 19 CA PRO A 19 244.711 236.589 240.666 1.00 0.00 C +ATOM 20 CA THR A 20 247.558 237.059 243.154 1.00 0.00 C +ATOM 21 CA GLU A 21 250.481 236.642 245.562 1.00 0.00 C +ATOM 22 CA LYS A 22 249.317 234.777 248.674 1.00 0.00 C +ATOM 23 CA PRO A 23 252.189 235.153 251.149 1.00 0.00 C +ATOM 24 CA THR A 24 251.889 236.782 254.580 1.00 0.00 C +ATOM 25 CA ILE A 25 251.025 234.535 257.534 1.00 0.00 C +ATOM 26 CA ASN A 26 253.037 232.526 260.070 1.00 0.00 C +ATOM 27 CA THR A 27 251.497 229.097 260.691 1.00 0.00 C +ATOM 28 CA THR A 28 248.901 228.604 263.436 1.00 0.00 C +ATOM 29 CA LYS A 29 246.915 225.353 263.493 1.00 0.00 C +ATOM 30 CA THR A 30 243.651 224.003 264.921 1.00 0.00 C +ATOM 31 CA ASN A 31 241.031 226.266 266.512 1.00 0.00 C +ATOM 32 CA ILE A 32 240.230 229.412 264.518 1.00 0.00 C +ATOM 33 CA ARG A 33 237.684 232.245 264.607 1.00 0.00 C +ATOM 34 CA ILE A 34 235.001 234.946 264.759 1.00 0.00 C +ATOM 35 CA THR A 35 232.446 237.733 264.285 1.00 0.00 C +ATOM 36 CA LEU A 36 229.209 239.688 264.742 1.00 0.00 C +ATOM 37 CA LEU A 37 226.384 241.413 262.855 1.00 0.00 C +ATOM 38 CA THR A 38 223.897 240.857 260.023 1.00 0.00 C +ATOM 39 CA SER A 39 226.023 240.441 256.889 1.00 0.00 C +ATOM 40 CA ASN A 40 229.498 239.709 255.507 1.00 0.00 C +ATOM 41 CA THR A 41 230.795 242.202 252.934 1.00 0.00 C +ATOM 42 CA THR A 42 233.495 241.481 250.344 1.00 0.00 C +ATOM 43 CA GLY A 43 236.821 243.091 249.417 1.00 0.00 C +ATOM 44 CA ASN A 44 238.976 243.416 246.292 1.00 0.00 C +ATOM 45 CA SER A 45 240.686 240.438 244.643 1.00 0.00 C +ATOM 46 CA GLU A 46 242.107 237.913 247.116 1.00 0.00 C +ATOM 47 CA TYR A 47 245.047 239.596 248.860 1.00 0.00 C +ATOM 48 CA THR A 48 248.180 241.055 250.465 1.00 0.00 C +ATOM 49 CA SER A 49 251.072 243.007 248.935 1.00 0.00 C +ATOM 50 CA GLN A 50 252.540 246.498 248.520 1.00 0.00 C +ATOM 51 CA LYS A 51 251.040 249.753 247.228 1.00 0.00 C +ATOM 52 CA GLU A 52 248.840 251.424 244.604 1.00 0.00 C +ATOM 53 CA THR A 53 248.389 255.006 243.386 1.00 0.00 C +ATOM 54 CA LEU A 54 249.643 258.374 244.651 1.00 0.00 C +ATOM 55 CA HIS A 55 251.066 260.783 247.236 1.00 0.00 C +ATOM 56 CA SER A 56 253.091 261.848 250.283 1.00 0.00 C +ATOM 57 CA THR A 57 254.170 265.390 251.181 1.00 0.00 C +ATOM 58 CA THR A 58 251.443 267.517 252.779 1.00 0.00 C +ATOM 59 CA SER A 59 251.928 268.559 256.412 1.00 0.00 C +ATOM 60 CA GLU A 60 252.060 272.314 257.044 1.00 0.00 C +ATOM 61 CA GLY A 61 248.886 273.847 258.491 1.00 0.00 C +ATOM 62 CA ASP A 62 248.303 274.205 262.239 1.00 0.00 C +ATOM 63 CA PRO A 63 251.420 275.581 263.944 1.00 0.00 C +ATOM 64 CA SER A 64 255.207 275.795 263.582 1.00 0.00 C +ATOM 65 CA PRO A 65 257.765 278.556 262.992 1.00 0.00 C +ATOM 66 CA SER A 66 260.971 279.974 264.486 1.00 0.00 C +ATOM 67 CA GLN A 67 262.371 277.113 266.576 1.00 0.00 C +ATOM 68 CA VAL A 68 264.663 274.218 265.637 1.00 0.00 C +ATOM 69 CA TYR A 69 264.488 270.607 264.435 1.00 0.00 C +ATOM 70 CA THR A 70 262.559 268.151 262.252 1.00 0.00 C +ATOM 71 CA THR A 71 263.647 267.990 258.604 1.00 0.00 C +ATOM 72 CA SER A 72 266.977 267.339 256.872 1.00 0.00 C +ATOM 73 CA GLU A 73 270.333 266.715 255.180 1.00 0.00 C +ATOM 74 CA TYR A 74 271.389 263.256 256.379 1.00 0.00 C +ATOM 75 CA LEU A 75 274.392 262.672 258.650 1.00 0.00 C +ATOM 76 CA SER A 76 274.995 258.910 258.611 1.00 0.00 C +ATOM 77 CA GLN A 77 277.354 255.991 259.267 1.00 0.00 C +ATOM 78 CA SER A 78 279.442 255.122 262.333 1.00 0.00 C +ATOM 79 CA LEU A 79 280.726 258.475 263.610 1.00 0.00 C +ATOM 80 CA SER A 80 279.981 260.562 266.710 1.00 0.00 C +ATOM 81 CA PRO A 81 280.882 264.199 267.397 1.00 0.00 C +ATOM 82 CA SER A 82 283.070 265.244 270.335 1.00 0.00 C +ATOM 83 CA ASN A 83 284.496 262.290 272.275 1.00 0.00 C +ATOM 84 CA THR A 84 285.910 259.320 270.354 1.00 0.00 C +ATOM 85 CA THR A 85 289.144 257.865 268.960 1.00 0.00 C +ATOM 86 CA LYS A 86 291.568 255.128 267.888 1.00 0.00 C +TER 87 LYS A 86 +END diff --git a/Viruses/Q2PZ64/Q2PZ64.dcd b/Viruses/Q2PZ64/Q2PZ64.dcd new file mode 100644 index 0000000000000000000000000000000000000000..7992d925a0d5be3acb06ce9486669a8c1d2f87b1 --- /dev/null +++ b/Viruses/Q2PZ64/Q2PZ64.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:763bfd3964fc0e11dd7a325f1725dadea580f3b9887ff3fe624ed6d9285a422f +size 11240276 diff --git a/Viruses/Q2PZ64/top.pdb b/Viruses/Q2PZ64/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d1456da08dca174389090e5268feefb212802abb --- /dev/null +++ b/Viruses/Q2PZ64/top.pdb @@ -0,0 +1,91 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LYS A 1 297.196 246.051 247.899 1.00 0.00 C +ATOM 2 CA GLN A 2 296.097 249.699 247.924 1.00 0.00 C +ATOM 3 CA ASP A 3 296.584 250.968 251.484 1.00 0.00 C +ATOM 4 CA LEU A 4 294.585 249.637 254.442 1.00 0.00 C +ATOM 5 CA LYS A 5 294.958 247.464 257.549 1.00 0.00 C +ATOM 6 CA PRO A 6 294.095 243.835 256.773 1.00 0.00 C +ATOM 7 CA GLN A 7 292.615 240.597 255.416 1.00 0.00 C +ATOM 8 CA THR A 8 293.200 237.773 252.927 1.00 0.00 C +ATOM 9 CA THR A 9 290.161 236.893 250.804 1.00 0.00 C +ATOM 10 CA LYS A 10 288.850 239.767 248.673 1.00 0.00 C +ATOM 11 CA PRO A 11 285.792 238.598 246.723 1.00 0.00 C +ATOM 12 CA ARG A 12 282.006 238.958 246.945 1.00 0.00 C +ATOM 13 CA GLU A 13 281.146 241.355 249.779 1.00 0.00 C +ATOM 14 CA VAL A 14 282.153 245.021 250.027 1.00 0.00 C +ATOM 15 CA LEU A 15 282.900 248.706 250.644 1.00 0.00 C +ATOM 16 CA THR A 16 279.650 250.483 249.753 1.00 0.00 C +ATOM 17 CA THR A 17 276.079 251.811 249.800 1.00 0.00 C +ATOM 18 CA LYS A 18 273.721 252.601 246.913 1.00 0.00 C +ATOM 19 CA PRO A 19 270.680 254.308 248.446 1.00 0.00 C +ATOM 20 CA THR A 20 268.666 253.116 251.452 1.00 0.00 C +ATOM 21 CA GLU A 21 266.438 252.892 254.535 1.00 0.00 C +ATOM 22 CA LYS A 22 265.867 249.886 256.805 1.00 0.00 C +ATOM 23 CA GLN A 23 265.072 246.207 256.209 1.00 0.00 C +ATOM 24 CA THR A 24 267.055 244.542 253.415 1.00 0.00 C +ATOM 25 CA ILE A 25 265.036 245.067 250.227 1.00 0.00 C +ATOM 26 CA ASN A 26 262.229 243.196 248.456 1.00 0.00 C +ATOM 27 CA THR A 27 259.223 243.681 246.166 1.00 0.00 C +ATOM 28 CA THR A 28 256.210 243.639 243.835 1.00 0.00 C +ATOM 29 CA LYS A 29 254.433 241.593 241.156 1.00 0.00 C +ATOM 30 CA THR A 30 254.916 241.635 237.377 1.00 0.00 C +ATOM 31 CA ASN A 31 252.904 239.423 235.016 1.00 0.00 C +ATOM 32 CA ILE A 32 249.187 238.990 234.298 1.00 0.00 C +ATOM 33 CA ARG A 33 248.140 239.771 230.719 1.00 0.00 C +ATOM 34 CA THR A 34 244.916 241.778 231.019 1.00 0.00 C +ATOM 35 CA THR A 35 241.889 242.526 233.209 1.00 0.00 C +ATOM 36 CA LEU A 36 238.767 242.789 235.377 1.00 0.00 C +ATOM 37 CA LEU A 37 236.776 244.780 237.944 1.00 0.00 C +ATOM 38 CA THR A 38 233.753 244.826 240.263 1.00 0.00 C +ATOM 39 CA SER A 39 234.114 243.249 243.712 1.00 0.00 C +ATOM 40 CA ASN A 40 232.339 243.310 247.083 1.00 0.00 C +ATOM 41 CA THR A 41 228.913 241.685 247.454 1.00 0.00 C +ATOM 42 CA THR A 42 225.875 240.186 249.197 1.00 0.00 C +ATOM 43 CA GLY A 43 222.758 239.958 251.376 1.00 0.00 C +ATOM 44 CA ASN A 44 220.762 238.426 254.237 1.00 0.00 C +ATOM 45 CA PRO A 45 218.911 238.938 257.528 1.00 0.00 C +ATOM 46 CA GLU A 46 216.954 236.814 260.013 1.00 0.00 C +ATOM 47 CA HIS A 47 213.207 236.722 260.696 1.00 0.00 C +ATOM 48 CA THR A 48 210.527 238.337 258.522 1.00 0.00 C +ATOM 49 CA SER A 49 207.560 240.469 257.442 1.00 0.00 C +ATOM 50 CA GLN A 50 207.725 242.679 254.343 1.00 0.00 C +ATOM 51 CA LYS A 51 208.378 244.143 250.887 1.00 0.00 C +ATOM 52 CA GLU A 52 207.431 247.602 249.601 1.00 0.00 C +ATOM 53 CA THR A 53 210.162 250.132 250.409 1.00 0.00 C +ATOM 54 CA LEU A 54 213.268 251.729 248.886 1.00 0.00 C +ATOM 55 CA HIS A 55 216.714 251.064 247.403 1.00 0.00 C +ATOM 56 CA SER A 56 219.137 253.995 247.640 1.00 0.00 C +ATOM 57 CA THR A 57 218.370 257.441 249.074 1.00 0.00 C +ATOM 58 CA THR A 58 217.438 259.681 252.011 1.00 0.00 C +ATOM 59 CA SER A 59 215.471 259.689 255.274 1.00 0.00 C +ATOM 60 CA GLU A 60 217.072 260.831 258.538 1.00 0.00 C +ATOM 61 CA GLY A 61 220.183 258.799 259.382 1.00 0.00 C +ATOM 62 CA ASN A 62 223.924 259.277 259.919 1.00 0.00 C +ATOM 63 CA PRO A 63 227.210 259.275 261.848 1.00 0.00 C +ATOM 64 CA SER A 64 229.797 260.890 259.563 1.00 0.00 C +ATOM 65 CA PRO A 65 233.249 262.431 259.095 1.00 0.00 C +ATOM 66 CA SER A 66 235.494 265.005 260.784 1.00 0.00 C +ATOM 67 CA GLN A 67 239.135 265.548 259.802 1.00 0.00 C +ATOM 68 CA VAL A 68 241.855 266.929 262.085 1.00 0.00 C +ATOM 69 CA TYR A 69 245.201 265.342 261.191 1.00 0.00 C +ATOM 70 CA ALA A 70 249.004 265.570 261.224 1.00 0.00 C +ATOM 71 CA THR A 71 252.676 266.049 260.328 1.00 0.00 C +ATOM 72 CA SER A 72 254.223 264.622 257.153 1.00 0.00 C +ATOM 73 CA GLU A 73 257.522 262.720 257.024 1.00 0.00 C +ATOM 74 CA TYR A 74 260.343 260.853 255.271 1.00 0.00 C +ATOM 75 CA LEU A 75 262.370 257.808 254.204 1.00 0.00 C +ATOM 76 CA SER A 76 263.774 256.875 250.787 1.00 0.00 C +ATOM 77 CA GLN A 77 261.500 254.880 248.471 1.00 0.00 C +ATOM 78 CA SER A 78 259.124 251.970 249.106 1.00 0.00 C +ATOM 79 CA LEU A 79 256.990 250.173 246.511 1.00 0.00 C +ATOM 80 CA SER A 80 254.703 251.817 243.945 1.00 0.00 C +ATOM 81 CA PRO A 81 252.788 251.767 240.651 1.00 0.00 C +ATOM 82 CA SER A 82 250.803 254.211 238.505 1.00 0.00 C +ATOM 83 CA ASN A 83 250.926 258.000 238.128 1.00 0.00 C +ATOM 84 CA THR A 84 251.453 261.170 240.175 1.00 0.00 C +ATOM 85 CA MET A 85 251.177 262.765 243.624 1.00 0.00 C +ATOM 86 CA LYS A 86 248.307 264.831 245.044 1.00 0.00 C +ATOM 87 CA CYS A 87 249.236 268.478 244.452 1.00 0.00 C +TER 88 CYS A 87 +END diff --git a/Viruses/Q2PZ75/Q2PZ75.dcd b/Viruses/Q2PZ75/Q2PZ75.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c3e7c5fbb61e12ea31dc002373e4549e8e749531 --- /dev/null +++ b/Viruses/Q2PZ75/Q2PZ75.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:aa759d593add2e59f14cbc6f846b2b866bc07d69938667bdeb8e5a3dc37d72c7 +size 11240276 diff --git a/Viruses/Q2PZ75/top.pdb b/Viruses/Q2PZ75/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a33f5c5acdded1f06da89757cb4f0c504e0f6b4c --- /dev/null +++ b/Viruses/Q2PZ75/top.pdb @@ -0,0 +1,91 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LYS A 1 242.437 220.595 221.849 1.00 0.00 C +ATOM 2 CA LYS A 2 239.114 222.371 221.278 1.00 0.00 C +ATOM 3 CA ASP A 3 236.378 219.759 221.735 1.00 0.00 C +ATOM 4 CA PRO A 4 234.288 219.571 218.554 1.00 0.00 C +ATOM 5 CA LYS A 5 231.540 218.911 215.999 1.00 0.00 C +ATOM 6 CA PRO A 6 230.428 222.289 214.633 1.00 0.00 C +ATOM 7 CA GLN A 7 230.985 225.081 217.164 1.00 0.00 C +ATOM 8 CA THR A 8 233.103 227.234 219.487 1.00 0.00 C +ATOM 9 CA THR A 9 233.383 226.823 223.265 1.00 0.00 C +ATOM 10 CA LYS A 10 233.827 225.944 226.945 1.00 0.00 C +ATOM 11 CA PRO A 11 234.573 226.719 230.600 1.00 0.00 C +ATOM 12 CA LYS A 12 234.661 227.538 234.320 1.00 0.00 C +ATOM 13 CA GLU A 13 236.413 230.567 235.827 1.00 0.00 C +ATOM 14 CA VAL A 14 237.661 231.359 239.338 1.00 0.00 C +ATOM 15 CA PRO A 15 241.380 231.490 240.158 1.00 0.00 C +ATOM 16 CA THR A 16 243.358 228.352 241.028 1.00 0.00 C +ATOM 17 CA THR A 17 243.496 225.884 243.927 1.00 0.00 C +ATOM 18 CA LYS A 18 246.402 226.838 246.199 1.00 0.00 C +ATOM 19 CA PRO A 19 247.559 230.328 245.200 1.00 0.00 C +ATOM 20 CA THR A 20 249.204 233.741 245.600 1.00 0.00 C +ATOM 21 CA GLU A 21 252.707 235.188 245.989 1.00 0.00 C +ATOM 22 CA LYS A 22 254.962 236.140 248.909 1.00 0.00 C +ATOM 23 CA GLN A 23 258.620 237.116 249.338 1.00 0.00 C +ATOM 24 CA THR A 24 261.124 235.204 251.480 1.00 0.00 C +ATOM 25 CA ILE A 25 262.715 232.675 249.117 1.00 0.00 C +ATOM 26 CA ASN A 26 263.883 234.662 246.083 1.00 0.00 C +ATOM 27 CA THR A 27 264.056 238.455 245.761 1.00 0.00 C +ATOM 28 CA THR A 28 263.421 239.307 242.102 1.00 0.00 C +ATOM 29 CA LYS A 29 262.302 242.948 242.189 1.00 0.00 C +ATOM 30 CA THR A 30 262.901 245.297 245.129 1.00 0.00 C +ATOM 31 CA ASN A 31 265.802 247.323 246.542 1.00 0.00 C +ATOM 32 CA ILE A 32 264.914 251.025 246.680 1.00 0.00 C +ATOM 33 CA ARG A 33 261.403 252.281 247.461 1.00 0.00 C +ATOM 34 CA THR A 34 258.559 254.789 247.092 1.00 0.00 C +ATOM 35 CA THR A 35 259.355 257.506 244.543 1.00 0.00 C +ATOM 36 CA LEU A 36 262.052 259.881 243.275 1.00 0.00 C +ATOM 37 CA LEU A 37 263.925 263.115 242.534 1.00 0.00 C +ATOM 38 CA THR A 38 262.581 266.404 243.910 1.00 0.00 C +ATOM 39 CA PRO A 39 264.433 267.430 247.077 1.00 0.00 C +ATOM 40 CA ASN A 40 262.595 268.206 250.323 1.00 0.00 C +ATOM 41 CA THR A 41 263.376 271.548 251.977 1.00 0.00 C +ATOM 42 CA THR A 42 265.486 273.728 249.673 1.00 0.00 C +ATOM 43 CA GLY A 43 263.187 275.473 247.187 1.00 0.00 C +ATOM 44 CA ASN A 44 259.867 277.341 247.263 1.00 0.00 C +ATOM 45 CA PRO A 45 259.750 280.013 249.977 1.00 0.00 C +ATOM 46 CA GLU A 46 256.887 280.651 252.407 1.00 0.00 C +ATOM 47 CA HIS A 47 253.976 280.320 254.844 1.00 0.00 C +ATOM 48 CA THR A 48 252.650 276.761 255.141 1.00 0.00 C +ATOM 49 CA SER A 49 253.560 275.078 251.846 1.00 0.00 C +ATOM 50 CA GLN A 50 251.941 273.664 248.701 1.00 0.00 C +ATOM 51 CA LYS A 51 248.653 272.503 247.165 1.00 0.00 C +ATOM 52 CA GLU A 52 246.752 269.395 248.281 1.00 0.00 C +ATOM 53 CA THR A 53 244.372 267.283 250.376 1.00 0.00 C +ATOM 54 CA LEU A 54 243.817 265.438 253.663 1.00 0.00 C +ATOM 55 CA HIS A 55 245.078 262.947 256.256 1.00 0.00 C +ATOM 56 CA SER A 56 246.202 259.726 254.558 1.00 0.00 C +ATOM 57 CA THR A 57 248.343 259.450 251.419 1.00 0.00 C +ATOM 58 CA THR A 58 251.235 258.396 249.174 1.00 0.00 C +ATOM 59 CA SER A 59 253.349 261.545 248.808 1.00 0.00 C +ATOM 60 CA GLU A 60 256.222 264.013 249.221 1.00 0.00 C +ATOM 61 CA GLY A 61 257.724 263.936 252.722 1.00 0.00 C +ATOM 62 CA ASN A 62 259.402 263.772 256.138 1.00 0.00 C +ATOM 63 CA LEU A 63 261.521 263.627 259.301 1.00 0.00 C +ATOM 64 CA SER A 64 260.294 262.812 262.815 1.00 0.00 C +ATOM 65 CA PRO A 65 259.202 260.540 265.671 1.00 0.00 C +ATOM 66 CA SER A 66 260.391 258.318 268.529 1.00 0.00 C +ATOM 67 CA GLN A 67 262.842 258.207 271.444 1.00 0.00 C +ATOM 68 CA VAL A 68 261.150 259.708 274.510 1.00 0.00 C +ATOM 69 CA TYR A 69 257.696 258.321 275.322 1.00 0.00 C +ATOM 70 CA THR A 70 255.199 256.940 272.798 1.00 0.00 C +ATOM 71 CA THR A 71 253.736 256.603 269.296 1.00 0.00 C +ATOM 72 CA SER A 72 251.119 253.837 269.398 1.00 0.00 C +ATOM 73 CA GLU A 73 248.790 254.162 272.396 1.00 0.00 C +ATOM 74 CA TYR A 74 245.644 256.289 272.696 1.00 0.00 C +ATOM 75 CA LEU A 75 242.771 254.095 271.491 1.00 0.00 C +ATOM 76 CA SER A 76 239.451 252.838 270.109 1.00 0.00 C +ATOM 77 CA GLN A 77 238.015 255.322 267.603 1.00 0.00 C +ATOM 78 CA SER A 78 236.440 256.264 264.264 1.00 0.00 C +ATOM 79 CA LEU A 79 235.564 253.015 262.477 1.00 0.00 C +ATOM 80 CA SER A 80 237.504 250.288 260.657 1.00 0.00 C +ATOM 81 CA PRO A 81 239.928 247.690 259.282 1.00 0.00 C +ATOM 82 CA SER A 82 242.236 245.698 261.567 1.00 0.00 C +ATOM 83 CA ASN A 83 241.958 243.285 264.502 1.00 0.00 C +ATOM 84 CA THR A 84 239.622 241.896 267.171 1.00 0.00 C +ATOM 85 CA THR A 85 238.230 242.134 270.710 1.00 0.00 C +ATOM 86 CA TYR A 86 234.546 243.104 270.618 1.00 0.00 C +ATOM 87 CA GLN A 87 231.822 245.678 269.933 1.00 0.00 C +TER 88 GLN A 87 +END diff --git a/Viruses/Q2TVL9/Q2TVL9.dcd b/Viruses/Q2TVL9/Q2TVL9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..3ae58cc7ced1118d657d3685fee61b57c1cea168 --- /dev/null +++ b/Viruses/Q2TVL9/Q2TVL9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2cbf1fcfa72ccf874426de06e43fd44f5ca807bfc6c37395cdec4f40226ba13e +size 8840276 diff --git a/Viruses/Q2TVL9/top.pdb b/Viruses/Q2TVL9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d9c4b6e3f833d08d9fad1cd09549be3274d15d62 --- /dev/null +++ b/Viruses/Q2TVL9/top.pdb @@ -0,0 +1,71 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ASP A 1 233.646 299.830 237.586 1.00 0.00 C +ATOM 2 CA TRP A 2 230.913 298.418 239.833 1.00 0.00 C +ATOM 3 CA LEU A 3 230.458 295.111 241.670 1.00 0.00 C +ATOM 4 CA ARG A 4 230.714 291.941 239.573 1.00 0.00 C +ATOM 5 CA ASN A 5 232.616 289.835 237.030 1.00 0.00 C +ATOM 6 CA SER A 6 235.688 288.282 238.663 1.00 0.00 C +ATOM 7 CA ASP A 7 237.478 290.368 241.301 1.00 0.00 C +ATOM 8 CA ASP A 8 239.805 293.377 241.513 1.00 0.00 C +ATOM 9 CA ASP A 9 242.480 295.798 242.738 1.00 0.00 C +ATOM 10 CA ASP A 10 245.441 294.121 244.450 1.00 0.00 C +ATOM 11 CA ASP A 11 245.403 294.692 248.217 1.00 0.00 C +ATOM 12 CA ASP A 12 245.866 291.925 250.796 1.00 0.00 C +ATOM 13 CA SER A 13 248.579 290.032 252.685 1.00 0.00 C +ATOM 14 CA GLN A 14 248.141 286.384 253.696 1.00 0.00 C +ATOM 15 CA GLU A 15 244.814 285.142 252.316 1.00 0.00 C +ATOM 16 CA ASN A 16 241.691 285.915 254.357 1.00 0.00 C +ATOM 17 CA ALA A 17 241.105 283.010 256.751 1.00 0.00 C +ATOM 18 CA ASP A 18 241.479 279.325 257.646 1.00 0.00 C +ATOM 19 CA LYS A 19 239.165 277.489 255.240 1.00 0.00 C +ATOM 20 CA ASN A 20 237.479 274.147 255.954 1.00 0.00 C +ATOM 21 CA GLU A 21 234.289 272.981 254.228 1.00 0.00 C +ATOM 22 CA ASP A 22 232.059 273.497 251.182 1.00 0.00 C +ATOM 23 CA GLY A 23 232.926 273.197 247.484 1.00 0.00 C +ATOM 24 CA GLY A 24 234.931 270.674 245.452 1.00 0.00 C +ATOM 25 CA GLU A 25 236.733 269.371 242.358 1.00 0.00 C +ATOM 26 CA LYS A 26 237.795 265.716 242.191 1.00 0.00 C +ATOM 27 CA ASN A 27 238.386 261.996 241.617 1.00 0.00 C +ATOM 28 CA MET A 28 241.485 259.872 240.985 1.00 0.00 C +ATOM 29 CA GLU A 29 243.728 257.408 239.138 1.00 0.00 C +ATOM 30 CA ASP A 30 247.279 256.234 239.864 1.00 0.00 C +ATOM 31 CA SER A 31 247.369 252.868 241.645 1.00 0.00 C +ATOM 32 CA GLY A 32 250.611 252.493 243.611 1.00 0.00 C +ATOM 33 CA HIS A 33 253.665 250.220 243.763 1.00 0.00 C +ATOM 34 CA GLU A 34 253.178 246.584 244.794 1.00 0.00 C +ATOM 35 CA THR A 35 254.018 243.467 242.771 1.00 0.00 C +ATOM 36 CA GLY A 36 252.436 240.241 244.039 1.00 0.00 C +ATOM 37 CA ILE A 37 248.850 240.862 245.165 1.00 0.00 C +ATOM 38 CA ASP A 38 245.132 240.234 245.712 1.00 0.00 C +ATOM 39 CA SER A 39 241.531 239.027 245.409 1.00 0.00 C +ATOM 40 CA GLN A 40 240.418 235.389 245.188 1.00 0.00 C +ATOM 41 CA SER A 41 239.793 232.046 246.906 1.00 0.00 C +ATOM 42 CA GLN A 42 240.228 229.536 249.739 1.00 0.00 C +ATOM 43 CA GLY A 43 243.696 230.133 251.198 1.00 0.00 C +ATOM 44 CA SER A 44 247.003 230.357 253.076 1.00 0.00 C +ATOM 45 CA PHE A 45 249.725 232.791 251.987 1.00 0.00 C +ATOM 46 CA GLN A 46 253.524 232.677 252.250 1.00 0.00 C +ATOM 47 CA ALA A 47 254.302 229.537 254.263 1.00 0.00 C +ATOM 48 CA PRO A 48 256.950 227.422 256.005 1.00 0.00 C +ATOM 49 CA GLN A 49 260.370 227.632 257.671 1.00 0.00 C +ATOM 50 CA PRO A 50 264.083 226.905 257.224 1.00 0.00 C +ATOM 51 CA SER A 51 264.301 223.102 257.300 1.00 0.00 C +ATOM 52 CA GLN A 52 267.987 222.268 256.823 1.00 0.00 C +ATOM 53 CA SER A 53 271.768 222.068 257.252 1.00 0.00 C +ATOM 54 CA SER A 54 273.691 219.146 258.762 1.00 0.00 C +ATOM 55 CA GLN A 55 277.091 217.635 257.940 1.00 0.00 C +ATOM 56 CA SER A 56 277.455 213.864 258.339 1.00 0.00 C +ATOM 57 CA VAL A 57 279.344 210.817 257.049 1.00 0.00 C +ATOM 58 CA HIS A 58 277.085 207.972 255.900 1.00 0.00 C +ATOM 59 CA ASP A 59 273.391 207.058 256.087 1.00 0.00 C +ATOM 60 CA HIS A 60 271.324 210.187 256.759 1.00 0.00 C +ATOM 61 CA ASN A 61 267.576 210.336 256.088 1.00 0.00 C +ATOM 62 CA GLN A 62 265.274 208.540 258.536 1.00 0.00 C +ATOM 63 CA PRO A 63 264.264 204.931 259.222 1.00 0.00 C +ATOM 64 CA TYR A 64 263.204 201.319 259.810 1.00 0.00 C +ATOM 65 CA HIS A 65 261.553 197.888 259.958 1.00 0.00 C +ATOM 66 CA ILE A 66 262.297 195.040 262.377 1.00 0.00 C +ATOM 67 CA CYS A 67 262.947 191.318 262.867 1.00 0.00 C +TER 68 CYS A 67 +END diff --git a/Viruses/Q2VAE1/Q2VAE1.dcd b/Viruses/Q2VAE1/Q2VAE1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8d5116822babb67e0ed2a546a432c074948db0b3 --- /dev/null +++ b/Viruses/Q2VAE1/Q2VAE1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7bfe297c7e63f2c7ba65caa2fe9d13687ac5b9694ddb28c37dbc24a9298b0deb +size 7760276 diff --git a/Viruses/Q2VAE1/top.pdb b/Viruses/Q2VAE1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f4f56143e3eddcae0f9941362f74c75997ba9494 --- /dev/null +++ b/Viruses/Q2VAE1/top.pdb @@ -0,0 +1,62 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA PHE A 1 226.338 257.443 231.843 1.00 0.00 C +ATOM 2 CA PHE A 2 223.463 255.843 229.923 1.00 0.00 C +ATOM 3 CA LYS A 3 224.170 252.323 228.646 1.00 0.00 C +ATOM 4 CA GLU A 4 224.599 249.055 226.736 1.00 0.00 C +ATOM 5 CA ASN A 5 225.853 245.462 226.933 1.00 0.00 C +ATOM 6 CA LEU A 6 227.340 243.761 230.000 1.00 0.00 C +ATOM 7 CA ALA A 7 225.229 241.074 231.685 1.00 0.00 C +ATOM 8 CA PHE A 8 227.477 238.262 232.933 1.00 0.00 C +ATOM 9 CA PRO A 9 228.675 238.168 236.548 1.00 0.00 C +ATOM 10 CA GLN A 10 226.995 236.870 239.712 1.00 0.00 C +ATOM 11 CA GLY A 11 227.887 236.348 243.379 1.00 0.00 C +ATOM 12 CA GLU A 12 231.131 235.072 244.917 1.00 0.00 C +ATOM 13 CA ALA A 13 233.617 232.223 245.384 1.00 0.00 C +ATOM 14 CA ARG A 14 236.230 231.250 247.981 1.00 0.00 C +ATOM 15 CA GLU A 15 237.236 233.624 250.786 1.00 0.00 C +ATOM 16 CA PHE A 16 241.024 233.946 251.045 1.00 0.00 C +ATOM 17 CA PRO A 17 244.660 235.043 250.741 1.00 0.00 C +ATOM 18 CA PRO A 18 248.366 235.249 251.600 1.00 0.00 C +ATOM 19 CA GLU A 19 251.561 233.701 250.219 1.00 0.00 C +ATOM 20 CA GLN A 20 250.496 231.786 247.102 1.00 0.00 C +ATOM 21 CA THR A 21 252.720 231.701 244.009 1.00 0.00 C +ATOM 22 CA ARG A 22 254.703 231.639 240.757 1.00 0.00 C +ATOM 23 CA ALA A 23 257.403 233.286 238.632 1.00 0.00 C +ATOM 24 CA ASN A 24 258.011 237.040 238.871 1.00 0.00 C +ATOM 25 CA ARG A 25 257.864 238.977 242.148 1.00 0.00 C +ATOM 26 CA PRO A 26 259.717 242.288 242.498 1.00 0.00 C +ATOM 27 CA ALA A 27 260.037 245.925 241.410 1.00 0.00 C +ATOM 28 CA SER A 28 262.289 248.092 243.590 1.00 0.00 C +ATOM 29 CA ARG A 29 265.168 248.303 246.076 1.00 0.00 C +ATOM 30 CA GLU A 30 268.451 250.188 246.509 1.00 0.00 C +ATOM 31 CA LEU A 31 268.500 252.967 249.116 1.00 0.00 C +ATOM 32 CA GLN A 32 267.652 256.628 249.744 1.00 0.00 C +ATOM 33 CA VAL A 33 266.849 259.437 252.189 1.00 0.00 C +ATOM 34 CA ARG A 34 265.707 262.624 253.937 1.00 0.00 C +ATOM 35 CA ARG A 35 265.181 264.919 256.932 1.00 0.00 C +ATOM 36 CA ASP A 36 263.429 268.187 256.052 1.00 0.00 C +ATOM 37 CA GLY A 37 259.731 268.759 255.336 1.00 0.00 C +ATOM 38 CA PRO A 38 258.160 265.390 254.503 1.00 0.00 C +ATOM 39 CA ARG A 39 258.200 265.035 250.709 1.00 0.00 C +ATOM 40 CA SER A 40 255.057 263.606 249.098 1.00 0.00 C +ATOM 41 CA LYS A 41 252.094 261.307 248.425 1.00 0.00 C +ATOM 42 CA THR A 42 251.055 258.786 251.086 1.00 0.00 C +ATOM 43 CA GLY A 43 251.320 259.469 254.825 1.00 0.00 C +ATOM 44 CA ALA A 44 250.436 256.174 256.521 1.00 0.00 C +ATOM 45 CA GLU A 45 250.003 254.358 259.842 1.00 0.00 C +ATOM 46 CA ARG A 46 253.144 252.357 260.646 1.00 0.00 C +ATOM 47 CA GLN A 47 256.086 254.222 259.103 1.00 0.00 C +ATOM 48 CA GLY A 48 258.438 255.951 261.551 1.00 0.00 C +ATOM 49 CA THR A 49 259.881 255.685 265.067 1.00 0.00 C +ATOM 50 CA LEU A 50 261.256 257.540 268.098 1.00 0.00 C +ATOM 51 CA ASN A 51 263.257 260.780 267.985 1.00 0.00 C +ATOM 52 CA PHE A 52 263.318 263.620 265.446 1.00 0.00 C +ATOM 53 CA PRO A 53 262.813 266.781 267.513 1.00 0.00 C +ATOM 54 CA GLN A 54 260.986 266.129 270.792 1.00 0.00 C +ATOM 55 CA ILE A 55 258.546 263.309 271.573 1.00 0.00 C +ATOM 56 CA THR A 56 255.570 260.940 271.351 1.00 0.00 C +ATOM 57 CA LEU A 57 254.203 260.743 274.902 1.00 0.00 C +ATOM 58 CA TRP A 58 250.416 260.354 275.046 1.00 0.00 C +TER 59 TRP A 58 +END diff --git a/Viruses/Q2VF21/Q2VF21.dcd b/Viruses/Q2VF21/Q2VF21.dcd new file mode 100644 index 0000000000000000000000000000000000000000..0dc0330a249c71649d2a10977e538f5241df8700 --- /dev/null +++ b/Viruses/Q2VF21/Q2VF21.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9bef97c6d40400243279704063c4c6eae45f7c7867665d2aa22969e5585bbf03 +size 4880276 diff --git a/Viruses/Q2VF21/top.pdb b/Viruses/Q2VF21/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..55b528bb89194addea585709fa637a8f1729a1a3 --- /dev/null +++ b/Viruses/Q2VF21/top.pdb @@ -0,0 +1,38 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA TYR A 1 241.569 260.996 231.354 1.00 0.00 C +ATOM 2 CA THR A 2 244.290 258.406 230.722 1.00 0.00 C +ATOM 3 CA THR A 3 246.410 255.331 229.969 1.00 0.00 C +ATOM 4 CA VAL A 4 245.600 252.834 232.730 1.00 0.00 C +ATOM 5 CA SER A 5 247.639 249.797 233.794 1.00 0.00 C +ATOM 6 CA THR A 6 247.951 246.006 233.571 1.00 0.00 C +ATOM 7 CA SER A 7 250.567 243.967 235.446 1.00 0.00 C +ATOM 8 CA SER A 8 251.772 241.135 237.691 1.00 0.00 C +ATOM 9 CA GLY A 9 253.901 237.976 237.761 1.00 0.00 C +ATOM 10 CA VAL A 10 255.332 234.870 239.442 1.00 0.00 C +ATOM 11 CA VAL A 11 258.099 234.910 242.061 1.00 0.00 C +ATOM 12 CA THR A 12 258.637 238.492 243.245 1.00 0.00 C +ATOM 13 CA THR A 13 256.458 240.782 245.372 1.00 0.00 C +ATOM 14 CA LYS A 14 256.685 243.061 248.417 1.00 0.00 C +ATOM 15 CA SER A 15 254.163 241.828 250.993 1.00 0.00 C +ATOM 16 CA THR A 16 254.318 243.539 254.393 1.00 0.00 C +ATOM 17 CA THR A 17 254.060 247.339 254.317 1.00 0.00 C +ATOM 18 CA ASP A 18 256.615 249.686 252.743 1.00 0.00 C +ATOM 19 CA ASP A 19 259.826 251.223 254.101 1.00 0.00 C +ATOM 20 CA ALA A 20 261.328 248.897 256.719 1.00 0.00 C +ATOM 21 CA ASP A 21 259.928 249.348 260.233 1.00 0.00 C +ATOM 22 CA LEU A 22 258.052 249.754 263.524 1.00 0.00 C +ATOM 23 CA TYR A 23 254.587 249.519 265.093 1.00 0.00 C +ATOM 24 CA ASP A 24 251.095 250.765 265.969 1.00 0.00 C +ATOM 25 CA THR A 25 250.472 254.452 266.701 1.00 0.00 C +ATOM 26 CA TYR A 26 247.549 256.398 268.177 1.00 0.00 C +ATOM 27 CA ASN A 27 244.922 258.016 265.941 1.00 0.00 C +ATOM 28 CA ASP A 28 242.338 255.290 265.304 1.00 0.00 C +ATOM 29 CA ASN A 29 241.016 255.301 261.730 1.00 0.00 C +ATOM 30 CA GLU A 30 238.454 255.533 258.920 1.00 0.00 C +ATOM 31 CA SER A 31 237.921 258.405 256.475 1.00 0.00 C +ATOM 32 CA SER A 32 237.840 259.181 252.746 1.00 0.00 C +ATOM 33 CA THR A 33 239.387 262.231 251.066 1.00 0.00 C +ATOM 34 CA VAL A 34 241.222 264.730 253.281 1.00 0.00 C +TER 35 VAL A 34 +END diff --git a/Viruses/Q2WC16/Q2WC16.dcd b/Viruses/Q2WC16/Q2WC16.dcd new file mode 100644 index 0000000000000000000000000000000000000000..96a59ebea6273cfdf7c15fd979b3d74637e13a39 --- /dev/null +++ b/Viruses/Q2WC16/Q2WC16.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:05f5c4a45545d87885862858b4535f57ea0641b2c4c090195f2b2330007c19c4 +size 5000276 diff --git a/Viruses/Q2WC16/top.pdb b/Viruses/Q2WC16/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..19523d5a72449c779eb08a4df9630055dc72f9d2 --- /dev/null +++ b/Viruses/Q2WC16/top.pdb @@ -0,0 +1,39 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 240.316 264.352 249.441 1.00 0.00 C +ATOM 2 CA PRO A 2 242.579 262.502 251.884 1.00 0.00 C +ATOM 3 CA ARG A 3 244.229 259.084 251.546 1.00 0.00 C +ATOM 4 CA ASP A 4 245.903 255.664 251.683 1.00 0.00 C +ATOM 5 CA TYR A 5 246.372 253.660 254.889 1.00 0.00 C +ATOM 6 CA ASP A 6 245.010 252.092 258.084 1.00 0.00 C +ATOM 7 CA SER A 7 241.962 250.049 257.060 1.00 0.00 C +ATOM 8 CA ASP A 8 238.797 248.812 258.782 1.00 0.00 C +ATOM 9 CA TRP A 9 235.231 249.461 259.958 1.00 0.00 C +ATOM 10 CA ASP A 10 232.864 248.009 257.348 1.00 0.00 C +ATOM 11 CA PHE A 11 232.386 244.716 255.493 1.00 0.00 C +ATOM 12 CA GLN A 12 233.187 245.078 251.785 1.00 0.00 C +ATOM 13 CA ASP A 13 234.397 242.269 249.513 1.00 0.00 C +ATOM 14 CA SER A 14 233.958 241.074 245.922 1.00 0.00 C +ATOM 15 CA MET A 15 235.661 238.975 243.237 1.00 0.00 C +ATOM 16 CA ASN A 16 238.307 237.181 241.165 1.00 0.00 C +ATOM 17 CA SER A 17 241.684 237.707 242.849 1.00 0.00 C +ATOM 18 CA LYS A 18 241.874 238.880 246.469 1.00 0.00 C +ATOM 19 CA PRO A 19 243.269 242.060 248.037 1.00 0.00 C +ATOM 20 CA GLU A 20 247.049 241.607 247.900 1.00 0.00 C +ATOM 21 CA ARG A 21 250.348 243.044 246.647 1.00 0.00 C +ATOM 22 CA SER A 22 252.459 244.526 249.452 1.00 0.00 C +ATOM 23 CA ASP A 23 254.314 247.773 248.727 1.00 0.00 C +ATOM 24 CA ASP A 24 257.779 249.356 248.639 1.00 0.00 C +ATOM 25 CA TYR A 25 258.690 252.276 250.910 1.00 0.00 C +ATOM 26 CA TYR A 26 258.990 254.761 253.783 1.00 0.00 C +ATOM 27 CA GLU A 27 262.198 255.679 255.622 1.00 0.00 C +ATOM 28 CA THR A 28 265.628 255.877 253.975 1.00 0.00 C +ATOM 29 CA GLU A 29 267.006 255.203 250.488 1.00 0.00 C +ATOM 30 CA ALA A 30 268.629 251.791 249.999 1.00 0.00 C +ATOM 31 CA MET A 31 271.498 252.246 247.535 1.00 0.00 C +ATOM 32 CA TYR A 32 272.594 254.572 244.723 1.00 0.00 C +ATOM 33 CA GLU A 33 273.504 258.269 244.874 1.00 0.00 C +ATOM 34 CA SER A 34 271.726 260.516 242.362 1.00 0.00 C +ATOM 35 CA TYR A 35 269.604 260.879 239.219 1.00 0.00 C +TER 36 TYR A 35 +END diff --git a/Viruses/Q2WC23/Q2WC23.dcd b/Viruses/Q2WC23/Q2WC23.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8a3a050cb20442e0320c45f1288072a1cfac71f1 --- /dev/null +++ b/Viruses/Q2WC23/Q2WC23.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:67cc9f9efb07bb57052460612f0821974443fc2a6cbcbcee1e019c39fbaedfbd +size 5840276 diff --git a/Viruses/Q2WC23/top.pdb b/Viruses/Q2WC23/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..49b6bf913ac9fc02d7da563b44df3077bf3424d1 --- /dev/null +++ b/Viruses/Q2WC23/top.pdb @@ -0,0 +1,46 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 236.500 249.998 268.325 1.00 0.00 C +ATOM 2 CA ARG A 2 236.714 249.917 264.521 1.00 0.00 C +ATOM 3 CA ASN A 3 238.649 246.794 263.512 1.00 0.00 C +ATOM 4 CA PHE A 4 240.217 247.631 260.142 1.00 0.00 C +ATOM 5 CA GLU A 5 241.131 246.036 256.805 1.00 0.00 C +ATOM 6 CA LYS A 6 244.887 245.396 256.833 1.00 0.00 C +ATOM 7 CA MET A 7 248.268 244.126 255.618 1.00 0.00 C +ATOM 8 CA THR A 8 250.496 241.090 255.041 1.00 0.00 C +ATOM 9 CA ARG A 9 254.211 240.737 254.271 1.00 0.00 C +ATOM 10 CA LYS A 10 256.845 243.370 253.467 1.00 0.00 C +ATOM 11 CA ALA A 11 259.686 241.375 251.897 1.00 0.00 C +ATOM 12 CA ASN A 12 258.293 239.791 248.725 1.00 0.00 C +ATOM 13 CA ARG A 13 255.716 239.552 245.929 1.00 0.00 C +ATOM 14 CA PHE A 14 254.510 237.186 243.196 1.00 0.00 C +ATOM 15 CA ASP A 15 255.484 237.045 239.516 1.00 0.00 C +ATOM 16 CA MET A 16 255.529 240.682 238.382 1.00 0.00 C +ATOM 17 CA GLU A 17 258.900 242.305 237.658 1.00 0.00 C +ATOM 18 CA GLU A 18 260.569 245.729 237.709 1.00 0.00 C +ATOM 19 CA GLY A 19 258.500 248.926 237.601 1.00 0.00 C +ATOM 20 CA GLN A 20 256.855 251.262 235.080 1.00 0.00 C +ATOM 21 CA LYS A 21 254.022 253.131 236.811 1.00 0.00 C +ATOM 22 CA LYS A 22 254.318 252.827 240.597 1.00 0.00 C +ATOM 23 CA GLY A 23 255.304 254.893 243.643 1.00 0.00 C +ATOM 24 CA LYS A 24 258.925 254.158 244.573 1.00 0.00 C +ATOM 25 CA LYS A 25 261.320 256.755 246.000 1.00 0.00 C +ATOM 26 CA LEU A 26 262.498 257.646 249.512 1.00 0.00 C +ATOM 27 CA ASN A 27 263.866 255.941 252.633 1.00 0.00 C +ATOM 28 CA LYS A 28 261.766 253.543 254.720 1.00 0.00 C +ATOM 29 CA PRO A 29 258.178 254.541 255.526 1.00 0.00 C +ATOM 30 CA VAL A 30 255.725 254.229 252.628 1.00 0.00 C +ATOM 31 CA ARG A 31 253.740 257.143 251.185 1.00 0.00 C +ATOM 32 CA ASP A 32 250.338 258.349 252.403 1.00 0.00 C +ATOM 33 CA ARG A 33 246.640 257.781 251.679 1.00 0.00 C +ATOM 34 CA ALA A 34 245.853 254.314 253.048 1.00 0.00 C +ATOM 35 CA SER A 35 244.117 254.399 256.439 1.00 0.00 C +ATOM 36 CA LYS A 36 240.356 254.115 255.900 1.00 0.00 C +ATOM 37 CA ARG A 37 237.402 256.120 254.570 1.00 0.00 C +ATOM 38 CA ALA A 38 234.216 258.020 253.704 1.00 0.00 C +ATOM 39 CA ALA A 39 231.944 255.950 251.452 1.00 0.00 C +ATOM 40 CA TRP A 40 232.933 256.522 247.817 1.00 0.00 C +ATOM 41 CA GLU A 41 236.394 255.085 247.128 1.00 0.00 C +ATOM 42 CA PHE A 42 238.183 255.593 243.804 1.00 0.00 C +TER 43 PHE A 42 +END diff --git a/Viruses/Q2XT86/Q2XT86.dcd b/Viruses/Q2XT86/Q2XT86.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e41e986e15e4dbb4a89e7371e9a25986c03831c0 --- /dev/null +++ b/Viruses/Q2XT86/Q2XT86.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9f8c9c310238273ede50fd21de540b89656c5b5608ce6caf12fb560581a707c8 +size 6440276 diff --git a/Viruses/Q2XT86/top.pdb b/Viruses/Q2XT86/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..6a3c450132a6ade395fe8dff358772818aca38a5 --- /dev/null +++ b/Viruses/Q2XT86/top.pdb @@ -0,0 +1,51 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA THR A 1 270.631 258.552 264.175 1.00 0.00 C +ATOM 2 CA CYS A 2 272.069 255.758 262.020 1.00 0.00 C +ATOM 3 CA CYS A 3 272.146 251.987 262.556 1.00 0.00 C +ATOM 4 CA GLY A 4 270.503 250.742 265.760 1.00 0.00 C +ATOM 5 CA ARG A 5 270.090 246.979 265.326 1.00 0.00 C +ATOM 6 CA VAL A 6 269.918 245.658 268.895 1.00 0.00 C +ATOM 7 CA HIS A 7 268.221 247.046 272.011 1.00 0.00 C +ATOM 8 CA ARG A 8 264.798 245.620 272.884 1.00 0.00 C +ATOM 9 CA PRO A 9 261.251 247.011 272.912 1.00 0.00 C +ATOM 10 CA LYS A 10 258.259 245.485 274.710 1.00 0.00 C +ATOM 11 CA SER A 11 255.870 247.547 276.845 1.00 0.00 C +ATOM 12 CA THR A 12 252.716 249.493 275.962 1.00 0.00 C +ATOM 13 CA GLN A 13 249.867 247.408 277.392 1.00 0.00 C +ATOM 14 CA HIS A 14 246.397 246.481 276.119 1.00 0.00 C +ATOM 15 CA GLY A 15 246.240 244.636 272.789 1.00 0.00 C +ATOM 16 CA LEU A 16 245.347 245.571 269.205 1.00 0.00 C +ATOM 17 CA GLY A 17 248.616 246.376 267.421 1.00 0.00 C +ATOM 18 CA GLY A 18 251.633 245.071 265.493 1.00 0.00 C +ATOM 19 CA THR A 19 251.196 244.030 261.855 1.00 0.00 C +ATOM 20 CA GLY A 20 249.292 245.126 258.742 1.00 0.00 C +ATOM 21 CA ARG A 21 250.511 245.296 255.136 1.00 0.00 C +ATOM 22 CA LYS A 22 248.670 242.956 252.758 1.00 0.00 C +ATOM 23 CA VAL A 23 245.385 241.279 251.804 1.00 0.00 C +ATOM 24 CA SER A 24 243.036 238.457 250.785 1.00 0.00 C +ATOM 25 CA VAL A 25 240.094 240.070 248.980 1.00 0.00 C +ATOM 26 CA THR A 26 239.890 243.767 248.080 1.00 0.00 C +ATOM 27 CA SER A 27 239.347 243.818 244.309 1.00 0.00 C +ATOM 28 CA GLN A 28 239.607 245.457 240.879 1.00 0.00 C +ATOM 29 CA SER A 29 241.806 243.203 238.735 1.00 0.00 C +ATOM 30 CA GLY A 30 245.564 243.517 238.193 1.00 0.00 C +ATOM 31 CA LYS A 31 246.862 246.381 236.040 1.00 0.00 C +ATOM 32 CA VAL A 32 248.560 248.811 233.647 1.00 0.00 C +ATOM 33 CA ILE A 33 249.599 252.283 232.473 1.00 0.00 C +ATOM 34 CA SER A 34 247.051 254.913 231.420 1.00 0.00 C +ATOM 35 CA PRO A 35 247.657 258.647 230.967 1.00 0.00 C +ATOM 36 CA TRP A 36 249.263 261.081 228.514 1.00 0.00 C +ATOM 37 CA GLU A 37 248.950 262.917 225.191 1.00 0.00 C +ATOM 38 CA SER A 38 248.230 262.294 221.502 1.00 0.00 C +ATOM 39 CA TYR A 39 247.610 258.543 221.255 1.00 0.00 C +ATOM 40 CA LYS A 40 244.833 256.305 222.596 1.00 0.00 C +ATOM 41 CA SER A 41 243.351 255.084 225.886 1.00 0.00 C +ATOM 42 CA GLY A 42 239.676 254.259 226.458 1.00 0.00 C +ATOM 43 CA GLY A 43 238.338 254.020 230.017 1.00 0.00 C +ATOM 44 CA GLU A 44 237.607 256.120 233.111 1.00 0.00 C +ATOM 45 CA THR A 45 237.371 259.919 233.265 1.00 0.00 C +ATOM 46 CA ARG A 46 233.812 261.097 233.944 1.00 0.00 C +ATOM 47 CA LEU A 47 232.263 262.929 230.984 1.00 0.00 C +TER 48 LEU A 47 +END diff --git a/Viruses/Q2Z0R7/Q2Z0R7.dcd b/Viruses/Q2Z0R7/Q2Z0R7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..284c94dacf1a2087f8b697cd445d8f8e3a483616 --- /dev/null +++ b/Viruses/Q2Z0R7/Q2Z0R7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:880b50ca54c03223ab5cb5800e4e08f56c97657251830e0630af49207347a242 +size 8720276 diff --git a/Viruses/Q2Z0R7/top.pdb b/Viruses/Q2Z0R7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4150f0e949e2f4a4a150d2b7ec79e56be832d883 --- /dev/null +++ b/Viruses/Q2Z0R7/top.pdb @@ -0,0 +1,70 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 211.126 264.278 217.498 1.00 0.00 C +ATOM 2 CA THR A 2 212.868 260.947 216.879 1.00 0.00 C +ATOM 3 CA ARG A 3 216.603 261.579 217.292 1.00 0.00 C +ATOM 4 CA PHE A 4 218.496 258.735 215.606 1.00 0.00 C +ATOM 5 CA GLU A 5 221.062 256.268 216.965 1.00 0.00 C +ATOM 6 CA ASN A 6 219.140 253.580 218.860 1.00 0.00 C +ATOM 7 CA SER A 7 217.395 252.923 222.183 1.00 0.00 C +ATOM 8 CA ASP A 8 214.387 253.026 224.519 1.00 0.00 C +ATOM 9 CA LYS A 9 214.826 253.066 228.303 1.00 0.00 C +ATOM 10 CA GLU A 10 216.620 255.485 230.637 1.00 0.00 C +ATOM 11 CA LYS A 11 215.898 256.650 234.192 1.00 0.00 C +ATOM 12 CA LYS A 12 218.008 254.822 236.785 1.00 0.00 C +ATOM 13 CA PRO A 13 216.117 253.415 239.778 1.00 0.00 C +ATOM 14 CA SER A 14 217.213 255.462 242.799 1.00 0.00 C +ATOM 15 CA VAL A 15 218.794 257.920 245.242 1.00 0.00 C +ATOM 16 CA PRO A 16 220.862 257.147 248.347 1.00 0.00 C +ATOM 17 CA LEU A 17 223.152 259.634 250.103 1.00 0.00 C +ATOM 18 CA GLN A 18 226.897 258.942 250.204 1.00 0.00 C +ATOM 19 CA ASN A 19 230.202 257.183 249.501 1.00 0.00 C +ATOM 20 CA LYS A 20 233.052 257.331 252.026 1.00 0.00 C +ATOM 21 CA ILE A 21 233.000 259.871 254.866 1.00 0.00 C +ATOM 22 CA GLY A 22 236.002 262.190 254.509 1.00 0.00 C +ATOM 23 CA PHE A 23 239.304 260.489 253.661 1.00 0.00 C +ATOM 24 CA ALA A 24 241.694 257.568 254.178 1.00 0.00 C +ATOM 25 CA GLY A 25 242.276 254.280 252.343 1.00 0.00 C +ATOM 26 CA ILE A 26 245.512 253.538 250.473 1.00 0.00 C +ATOM 27 CA GLY A 27 248.946 252.859 251.975 1.00 0.00 C +ATOM 28 CA PRO A 28 248.921 252.349 255.751 1.00 0.00 C +ATOM 29 CA ASP A 29 251.491 250.772 258.080 1.00 0.00 C +ATOM 30 CA ASP A 30 255.271 250.296 258.107 1.00 0.00 C +ATOM 31 CA GLU A 31 257.767 252.885 256.850 1.00 0.00 C +ATOM 32 CA PRO A 32 261.285 251.494 257.302 1.00 0.00 C +ATOM 33 CA MET A 33 262.537 247.972 258.044 1.00 0.00 C +ATOM 34 CA SER A 34 263.983 246.955 261.419 1.00 0.00 C +ATOM 35 CA TRP A 35 264.691 246.248 265.095 1.00 0.00 C +ATOM 36 CA THR A 36 266.365 242.893 265.771 1.00 0.00 C +ATOM 37 CA LEU A 37 267.123 239.262 264.899 1.00 0.00 C +ATOM 38 CA THR A 38 264.857 237.069 262.762 1.00 0.00 C +ATOM 39 CA LEU A 39 264.429 236.115 259.098 1.00 0.00 C +ATOM 40 CA PRO A 40 265.572 236.178 255.464 1.00 0.00 C +ATOM 41 CA GLY A 41 268.125 236.184 252.636 1.00 0.00 C +ATOM 42 CA GLU A 42 271.006 233.720 252.254 1.00 0.00 C +ATOM 43 CA ASN A 43 271.852 230.623 254.305 1.00 0.00 C +ATOM 44 CA SER A 44 274.324 228.422 256.192 1.00 0.00 C +ATOM 45 CA VAL A 45 272.933 227.972 259.710 1.00 0.00 C +ATOM 46 CA GLY A 46 272.442 230.498 262.520 1.00 0.00 C +ATOM 47 CA TYR A 47 273.745 230.945 266.072 1.00 0.00 C +ATOM 48 CA ALA A 48 272.868 231.886 269.659 1.00 0.00 C +ATOM 49 CA GLU A 49 270.828 235.103 269.749 1.00 0.00 C +ATOM 50 CA PRO A 50 272.192 238.492 270.832 1.00 0.00 C +ATOM 51 CA PHE A 51 274.979 241.054 271.261 1.00 0.00 C +ATOM 52 CA ARG A 52 275.881 244.747 271.005 1.00 0.00 C +ATOM 53 CA PRO A 53 274.659 247.095 268.265 1.00 0.00 C +ATOM 54 CA GLU A 54 273.726 250.195 266.255 1.00 0.00 C +ATOM 55 CA LYS A 55 271.146 250.608 263.483 1.00 0.00 C +ATOM 56 CA GLU A 56 271.814 251.938 259.976 1.00 0.00 C +ATOM 57 CA ASP A 57 272.697 252.807 256.373 1.00 0.00 C +ATOM 58 CA LEU A 58 269.795 252.689 253.907 1.00 0.00 C +ATOM 59 CA ILE A 59 269.767 255.897 251.852 1.00 0.00 C +ATOM 60 CA PRO A 60 272.558 257.043 249.524 1.00 0.00 C +ATOM 61 CA GLN A 61 272.195 256.833 245.737 1.00 0.00 C +ATOM 62 CA PRO A 62 269.473 256.573 243.084 1.00 0.00 C +ATOM 63 CA VAL A 63 266.072 254.921 242.614 1.00 0.00 C +ATOM 64 CA SER A 64 262.896 257.021 242.457 1.00 0.00 C +ATOM 65 CA PHE A 65 259.809 258.448 244.174 1.00 0.00 C +ATOM 66 CA ASP A 66 258.472 258.606 247.738 1.00 0.00 C +TER 67 ASP A 66 +END diff --git a/Viruses/Q30BN4/Q30BN4.dcd b/Viruses/Q30BN4/Q30BN4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..1e0aa5a78f7cc448f3aabbf97a275b69cebda548 --- /dev/null +++ b/Viruses/Q30BN4/Q30BN4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:30b3114e2b1c58a32703171a3532b76af7d38a2b7ccb11380dd593cd730d72d7 +size 49440276 diff --git a/Viruses/Q30BN4/top.pdb b/Viruses/Q30BN4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..796014a8ad59ca5cf5f2f4b0a4ad1ae7835fb2be --- /dev/null +++ b/Viruses/Q30BN4/top.pdb @@ -0,0 +1,272 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-02 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 285.629 237.073 314.820 1.00 0.00 C +ATOM 2 CA THR A 2 289.405 237.310 314.371 1.00 0.00 C +ATOM 3 CA THR A 3 291.499 234.140 314.077 1.00 0.00 C +ATOM 4 CA THR A 4 291.908 232.935 310.486 1.00 0.00 C +ATOM 5 CA ARG A 5 290.244 231.500 307.374 1.00 0.00 C +ATOM 6 CA PRO A 6 287.830 228.687 308.257 1.00 0.00 C +ATOM 7 CA PRO A 7 284.434 229.031 306.565 1.00 0.00 C +ATOM 8 CA LYS A 8 283.375 232.306 304.931 1.00 0.00 C +ATOM 9 CA ARG A 9 281.624 232.890 301.598 1.00 0.00 C +ATOM 10 CA ARG A 10 278.386 230.921 301.203 1.00 0.00 C +ATOM 11 CA PRO A 11 275.492 228.452 300.998 1.00 0.00 C +ATOM 12 CA ARG A 12 271.728 228.676 301.545 1.00 0.00 C +ATOM 13 CA PRO A 13 270.203 226.240 299.044 1.00 0.00 C +ATOM 14 CA PRO A 14 270.269 227.439 295.428 1.00 0.00 C +ATOM 15 CA PHE A 15 270.962 226.362 291.840 1.00 0.00 C +ATOM 16 CA LYS A 16 273.396 223.438 292.034 1.00 0.00 C +ATOM 17 CA PRO A 17 275.975 223.435 289.230 1.00 0.00 C +ATOM 18 CA PRO A 18 279.783 223.326 289.173 1.00 0.00 C +ATOM 19 CA ARG A 19 282.857 223.587 286.938 1.00 0.00 C +ATOM 20 CA HIS A 20 286.013 224.424 288.901 1.00 0.00 C +ATOM 21 CA ARG A 21 287.181 223.339 292.362 1.00 0.00 C +ATOM 22 CA GLU A 22 287.999 220.385 294.625 1.00 0.00 C +ATOM 23 CA PRO A 23 286.391 217.294 293.083 1.00 0.00 C +ATOM 24 CA LEU A 24 286.079 217.309 289.286 1.00 0.00 C +ATOM 25 CA PRO A 25 283.974 214.743 287.414 1.00 0.00 C +ATOM 26 CA HIS A 26 283.146 211.795 285.147 1.00 0.00 C +ATOM 27 CA ASP A 27 280.697 208.959 284.456 1.00 0.00 C +ATOM 28 CA THR A 28 281.760 205.489 283.296 1.00 0.00 C +ATOM 29 CA ARG A 29 285.230 205.786 281.751 1.00 0.00 C +ATOM 30 CA LEU A 30 287.507 203.369 279.883 1.00 0.00 C +ATOM 31 CA ARG A 31 287.310 199.590 280.328 1.00 0.00 C +ATOM 32 CA ARG A 32 284.862 198.443 277.643 1.00 0.00 C +ATOM 33 CA ARG A 33 283.928 197.783 274.009 1.00 0.00 C +ATOM 34 CA TRP A 34 283.397 196.522 270.453 1.00 0.00 C +ATOM 35 CA LYS A 35 280.930 197.966 267.934 1.00 0.00 C +ATOM 36 CA PRO A 36 278.570 200.610 269.333 1.00 0.00 C +ATOM 37 CA SER A 37 275.546 201.349 267.136 1.00 0.00 C +ATOM 38 CA SER A 38 274.236 201.003 263.575 1.00 0.00 C +ATOM 39 CA ILE A 39 271.738 198.131 263.428 1.00 0.00 C +ATOM 40 CA SER A 40 272.972 194.766 262.135 1.00 0.00 C +ATOM 41 CA SER A 41 275.958 193.697 260.024 1.00 0.00 C +ATOM 42 CA SER A 42 278.372 194.857 257.314 1.00 0.00 C +ATOM 43 CA GLU A 43 280.162 196.180 254.222 1.00 0.00 C +ATOM 44 CA THR A 44 278.462 198.513 251.735 1.00 0.00 C +ATOM 45 CA ALA A 45 279.256 202.011 253.020 1.00 0.00 C +ATOM 46 CA SER A 46 280.634 205.559 252.857 1.00 0.00 C +ATOM 47 CA PRO A 47 280.216 207.032 256.345 1.00 0.00 C +ATOM 48 CA ILE A 48 280.444 206.083 260.028 1.00 0.00 C +ATOM 49 CA SER A 49 280.996 204.456 263.428 1.00 0.00 C +ATOM 50 CA ARG A 50 280.150 207.006 266.130 1.00 0.00 C +ATOM 51 CA SER A 51 281.274 206.888 269.768 1.00 0.00 C +ATOM 52 CA GLY A 52 282.392 206.347 273.370 1.00 0.00 C +ATOM 53 CA THR A 53 286.058 205.505 273.976 1.00 0.00 C +ATOM 54 CA SER A 54 289.564 204.139 273.381 1.00 0.00 C +ATOM 55 CA THR A 55 292.236 206.845 273.151 1.00 0.00 C +ATOM 56 CA SER A 56 290.480 210.184 272.614 1.00 0.00 C +ATOM 57 CA ASN A 57 291.935 213.495 271.416 1.00 0.00 C +ATOM 58 CA THR A 58 291.814 214.159 267.666 1.00 0.00 C +ATOM 59 CA LYS A 59 290.393 217.030 265.603 1.00 0.00 C +ATOM 60 CA ILE A 60 292.164 220.112 264.232 1.00 0.00 C +ATOM 61 CA THR A 61 295.640 220.706 265.675 1.00 0.00 C +ATOM 62 CA ILE A 62 296.333 223.469 268.204 1.00 0.00 C +ATOM 63 CA SER A 63 299.530 225.242 267.129 1.00 0.00 C +ATOM 64 CA ALA A 64 299.739 228.927 268.074 1.00 0.00 C +ATOM 65 CA PRO A 65 297.863 231.782 269.761 1.00 0.00 C +ATOM 66 CA LYS A 66 294.183 231.181 268.978 1.00 0.00 C +ATOM 67 CA LYS A 67 292.522 232.918 266.022 1.00 0.00 C +ATOM 68 CA LYS A 68 292.008 235.920 263.733 1.00 0.00 C +ATOM 69 CA SER A 69 289.541 238.409 262.238 1.00 0.00 C +ATOM 70 CA ALA A 70 285.755 238.178 262.605 1.00 0.00 C +ATOM 71 CA LEU A 71 282.574 240.236 262.205 1.00 0.00 C +ATOM 72 CA SER A 72 279.583 238.127 261.145 1.00 0.00 C +ATOM 73 CA PRO A 73 276.159 239.725 261.631 1.00 0.00 C +ATOM 74 CA PHE A 74 274.751 241.757 264.530 1.00 0.00 C +ATOM 75 CA SER A 75 271.922 244.144 263.629 1.00 0.00 C +ATOM 76 CA GLU A 76 271.540 247.295 265.737 1.00 0.00 C +ATOM 77 CA THR A 77 270.439 250.165 263.485 1.00 0.00 C +ATOM 78 CA ALA A 78 266.644 250.446 263.673 1.00 0.00 C +ATOM 79 CA SER A 79 264.989 248.218 261.063 1.00 0.00 C +ATOM 80 CA GLU A 80 264.325 244.581 260.143 1.00 0.00 C +ATOM 81 CA ALA A 81 261.940 241.864 258.940 1.00 0.00 C +ATOM 82 CA ILE A 82 262.266 238.721 261.068 1.00 0.00 C +ATOM 83 CA ALA A 83 265.666 237.087 261.605 1.00 0.00 C +ATOM 84 CA VAL A 84 269.176 237.496 260.182 1.00 0.00 C +ATOM 85 CA SER A 85 271.562 234.670 259.265 1.00 0.00 C +ATOM 86 CA THR A 86 275.179 233.942 260.216 1.00 0.00 C +ATOM 87 CA PRO A 87 277.957 232.946 257.806 1.00 0.00 C +ATOM 88 CA SER A 88 276.851 229.659 256.228 1.00 0.00 C +ATOM 89 CA CYS A 89 279.840 228.201 254.368 1.00 0.00 C +ATOM 90 CA PRO A 90 281.189 228.710 250.842 1.00 0.00 C +ATOM 91 CA PRO A 91 282.670 230.484 247.813 1.00 0.00 C +ATOM 92 CA THR A 92 279.816 231.096 245.364 1.00 0.00 C +ATOM 93 CA THR A 93 276.244 229.880 244.836 1.00 0.00 C +ATOM 94 CA ARG A 94 273.770 231.270 242.294 1.00 0.00 C +ATOM 95 CA THR A 95 271.808 234.134 243.863 1.00 0.00 C +ATOM 96 CA LEU A 96 271.808 236.356 246.959 1.00 0.00 C +ATOM 97 CA CYS A 97 270.346 235.206 250.284 1.00 0.00 C +ATOM 98 CA GLY A 98 267.994 235.151 253.280 1.00 0.00 C +ATOM 99 CA SER A 99 267.117 238.625 254.574 1.00 0.00 C +ATOM 100 CA PRO A 100 269.887 241.221 254.243 1.00 0.00 C +ATOM 101 CA SER A 101 270.921 244.838 254.845 1.00 0.00 C +ATOM 102 CA THR A 102 270.818 247.802 252.454 1.00 0.00 C +ATOM 103 CA ILE A 103 273.351 249.140 249.942 1.00 0.00 C +ATOM 104 CA PRO A 104 275.184 249.703 246.650 1.00 0.00 C +ATOM 105 CA THR A 105 276.516 248.434 243.313 1.00 0.00 C +ATOM 106 CA LYS A 106 280.247 248.441 242.543 1.00 0.00 C +ATOM 107 CA THR A 107 282.300 245.657 244.139 1.00 0.00 C +ATOM 108 CA GLY A 108 282.477 244.637 247.806 1.00 0.00 C +ATOM 109 CA SER A 109 283.108 242.422 250.840 1.00 0.00 C +ATOM 110 CA ILE A 110 283.425 242.528 254.636 1.00 0.00 C +ATOM 111 CA LYS A 111 280.121 243.104 256.442 1.00 0.00 C +ATOM 112 CA CYS A 112 277.020 241.224 255.272 1.00 0.00 C +ATOM 113 CA SER A 113 275.517 240.485 251.850 1.00 0.00 C +ATOM 114 CA LYS A 114 275.461 242.759 248.793 1.00 0.00 C +ATOM 115 CA LYS A 115 274.663 241.812 245.190 1.00 0.00 C +ATOM 116 CA LYS A 116 276.587 240.045 242.417 1.00 0.00 C +ATOM 117 CA ALA A 117 277.183 238.672 238.913 1.00 0.00 C +ATOM 118 CA THR A 118 276.215 240.703 235.839 1.00 0.00 C +ATOM 119 CA MET A 119 272.938 242.438 234.959 1.00 0.00 C +ATOM 120 CA PRO A 120 272.480 243.622 231.367 1.00 0.00 C +ATOM 121 CA ARG A 121 269.063 244.381 229.862 1.00 0.00 C +ATOM 122 CA SER A 122 268.489 247.259 227.432 1.00 0.00 C +ATOM 123 CA SER A 123 265.015 246.912 225.907 1.00 0.00 C +ATOM 124 CA PRO A 124 262.681 249.446 224.279 1.00 0.00 C +ATOM 125 CA SER A 125 261.122 248.459 220.946 1.00 0.00 C +ATOM 126 CA PRO A 126 263.368 249.612 218.093 1.00 0.00 C +ATOM 127 CA SER A 127 265.739 251.855 216.128 1.00 0.00 C +ATOM 128 CA ALA A 128 266.908 255.342 215.133 1.00 0.00 C +ATOM 129 CA SER A 129 264.310 256.894 212.819 1.00 0.00 C +ATOM 130 CA GLY A 130 261.920 258.262 210.186 1.00 0.00 C +ATOM 131 CA TRP A 131 259.056 259.492 207.996 1.00 0.00 C +ATOM 132 CA THR A 132 255.574 260.980 208.426 1.00 0.00 C +ATOM 133 CA ALA A 133 254.492 261.513 212.040 1.00 0.00 C +ATOM 134 CA THR A 134 253.366 265.095 212.686 1.00 0.00 C +ATOM 135 CA SER A 135 254.140 265.995 216.307 1.00 0.00 C +ATOM 136 CA THR A 136 255.799 264.203 219.232 1.00 0.00 C +ATOM 137 CA PRO A 137 255.239 260.440 219.037 1.00 0.00 C +ATOM 138 CA SER A 138 255.172 257.380 216.767 1.00 0.00 C +ATOM 139 CA SER A 139 252.760 254.843 218.271 1.00 0.00 C +ATOM 140 CA SER A 140 249.255 253.540 217.543 1.00 0.00 C +ATOM 141 CA ALA A 141 247.383 256.528 216.099 1.00 0.00 C +ATOM 142 CA GLU A 142 245.023 256.189 213.128 1.00 0.00 C +ATOM 143 CA ALA A 143 241.871 254.097 212.674 1.00 0.00 C +ATOM 144 CA GLY A 144 238.405 253.751 211.130 1.00 0.00 C +ATOM 145 CA SER A 145 238.149 251.465 208.093 1.00 0.00 C +ATOM 146 CA PRO A 146 235.638 248.626 208.483 1.00 0.00 C +ATOM 147 CA THR A 147 234.629 247.120 211.834 1.00 0.00 C +ATOM 148 CA PRO A 148 232.082 244.290 211.972 1.00 0.00 C +ATOM 149 CA SER A 149 229.294 243.799 214.522 1.00 0.00 C +ATOM 150 CA SER A 150 226.861 240.902 214.970 1.00 0.00 C +ATOM 151 CA SER A 151 223.659 242.229 216.552 1.00 0.00 C +ATOM 152 CA THR A 152 222.787 245.644 217.998 1.00 0.00 C +ATOM 153 CA THR A 153 224.032 247.978 220.741 1.00 0.00 C +ATOM 154 CA SER A 154 224.298 247.072 224.432 1.00 0.00 C +ATOM 155 CA SER A 155 225.581 250.176 226.231 1.00 0.00 C +ATOM 156 CA TYR A 156 226.408 252.998 228.653 1.00 0.00 C +ATOM 157 CA PRO A 157 229.140 255.616 229.097 1.00 0.00 C +ATOM 158 CA ASP A 158 229.881 257.270 225.746 1.00 0.00 C +ATOM 159 CA CYS A 159 230.828 258.339 222.213 1.00 0.00 C +ATOM 160 CA ARG A 160 227.574 258.197 220.236 1.00 0.00 C +ATOM 161 CA SER A 161 225.157 255.697 218.679 1.00 0.00 C +ATOM 162 CA PRO A 162 222.254 253.440 217.684 1.00 0.00 C +ATOM 163 CA SER A 163 222.993 251.787 214.332 1.00 0.00 C +ATOM 164 CA PRO A 164 223.320 254.679 211.873 1.00 0.00 C +ATOM 165 CA THR A 165 222.562 257.894 209.974 1.00 0.00 C +ATOM 166 CA GLU A 166 225.038 260.727 210.578 1.00 0.00 C +ATOM 167 CA THR A 167 227.229 263.506 209.168 1.00 0.00 C +ATOM 168 CA SER A 168 225.445 265.916 206.818 1.00 0.00 C +ATOM 169 CA THR A 169 225.370 269.713 207.124 1.00 0.00 C +ATOM 170 CA THR A 170 228.309 271.884 208.204 1.00 0.00 C +ATOM 171 CA PRO A 171 231.016 272.442 210.826 1.00 0.00 C +ATOM 172 CA ARG A 172 231.085 274.885 213.749 1.00 0.00 C +ATOM 173 CA ALA A 173 230.131 277.102 216.697 1.00 0.00 C +ATOM 174 CA SER A 174 231.233 280.568 217.834 1.00 0.00 C +ATOM 175 CA PRO A 175 228.968 283.630 217.920 1.00 0.00 C +ATOM 176 CA PRO A 176 229.624 287.225 218.998 1.00 0.00 C +ATOM 177 CA SER A 177 227.156 289.779 220.378 1.00 0.00 C +ATOM 178 CA ARG A 178 227.374 291.463 223.788 1.00 0.00 C +ATOM 179 CA PRO A 179 226.292 294.990 224.740 1.00 0.00 C +ATOM 180 CA THR A 180 226.040 295.565 228.498 1.00 0.00 C +ATOM 181 CA PRO A 181 227.762 292.679 230.292 1.00 0.00 C +ATOM 182 CA PRO A 182 226.796 289.009 230.633 1.00 0.00 C +ATOM 183 CA SER A 183 225.695 285.768 232.305 1.00 0.00 C +ATOM 184 CA THR A 184 227.841 284.549 235.208 1.00 0.00 C +ATOM 185 CA ALA A 185 229.079 282.305 238.027 1.00 0.00 C +ATOM 186 CA CYS A 186 229.138 282.332 241.836 1.00 0.00 C +ATOM 187 CA PRO A 187 228.514 282.862 245.557 1.00 0.00 C +ATOM 188 CA SER A 188 225.676 284.005 247.828 1.00 0.00 C +ATOM 189 CA SER A 189 224.974 287.734 248.170 1.00 0.00 C +ATOM 190 CA LYS A 190 221.715 288.811 246.516 1.00 0.00 C +ATOM 191 CA ARG A 191 220.623 291.108 243.679 1.00 0.00 C +ATOM 192 CA ASN A 192 218.088 290.644 240.874 1.00 0.00 C +ATOM 193 CA ARG A 193 219.088 291.876 237.410 1.00 0.00 C +ATOM 194 CA PRO A 194 217.737 292.974 234.021 1.00 0.00 C +ATOM 195 CA LEU A 195 217.663 290.956 230.790 1.00 0.00 C +ATOM 196 CA SER A 196 219.719 291.230 227.594 1.00 0.00 C +ATOM 197 CA PRO A 197 220.876 288.377 225.349 1.00 0.00 C +ATOM 198 CA SER A 198 219.418 286.007 222.747 1.00 0.00 C +ATOM 199 CA THR A 199 218.726 283.207 220.257 1.00 0.00 C +ATOM 200 CA LEU A 200 217.479 279.802 221.424 1.00 0.00 C +ATOM 201 CA TRP A 201 214.382 277.625 221.859 1.00 0.00 C +ATOM 202 CA LYS A 202 212.245 276.697 224.873 1.00 0.00 C +ATOM 203 CA GLU A 203 211.948 277.087 228.652 1.00 0.00 C +ATOM 204 CA THR A 204 214.560 275.923 231.169 1.00 0.00 C +ATOM 205 CA ARG A 205 213.469 274.552 234.552 1.00 0.00 C +ATOM 206 CA VAL A 206 215.943 272.950 236.967 1.00 0.00 C +ATOM 207 CA HIS A 207 217.291 269.475 236.180 1.00 0.00 C +ATOM 208 CA VAL A 208 215.036 266.900 234.506 1.00 0.00 C +ATOM 209 CA THR A 209 211.579 267.195 232.931 1.00 0.00 C +ATOM 210 CA SER A 210 209.393 269.304 235.231 1.00 0.00 C +ATOM 211 CA THR A 211 205.914 269.271 236.782 1.00 0.00 C +ATOM 212 CA LYS A 212 204.077 269.271 240.120 1.00 0.00 C +ATOM 213 CA ASN A 213 204.482 268.549 243.839 1.00 0.00 C +ATOM 214 CA PRO A 214 207.573 269.923 245.592 1.00 0.00 C +ATOM 215 CA PHE A 215 210.748 270.070 243.491 1.00 0.00 C +ATOM 216 CA SER A 216 214.414 270.096 244.527 1.00 0.00 C +ATOM 217 CA CYS A 217 217.852 271.592 243.848 1.00 0.00 C +ATOM 218 CA GLY A 218 221.388 271.305 245.239 1.00 0.00 C +ATOM 219 CA ARG A 219 224.012 268.994 246.752 1.00 0.00 C +ATOM 220 CA ARG A 220 227.174 267.262 247.984 1.00 0.00 C +ATOM 221 CA ARG A 221 228.510 263.713 248.355 1.00 0.00 C +ATOM 222 CA CYS A 222 228.075 260.296 249.982 1.00 0.00 C +ATOM 223 CA SER A 223 227.635 256.860 248.397 1.00 0.00 C +ATOM 224 CA SER A 224 224.517 256.067 246.355 1.00 0.00 C +ATOM 225 CA THR A 225 222.982 252.598 246.012 1.00 0.00 C +ATOM 226 CA ALA A 226 219.817 251.175 244.438 1.00 0.00 C +ATOM 227 CA PRO A 227 217.895 248.509 246.366 1.00 0.00 C +ATOM 228 CA THR A 228 217.337 247.860 250.079 1.00 0.00 C +ATOM 229 CA SER A 229 215.551 246.286 253.054 1.00 0.00 C +ATOM 230 CA PRO A 230 213.625 248.454 255.525 1.00 0.00 C +ATOM 231 CA SER A 231 211.125 248.437 258.400 1.00 0.00 C +ATOM 232 CA PRO A 232 209.241 247.171 261.460 1.00 0.00 C +ATOM 233 CA THR A 233 207.010 247.618 264.516 1.00 0.00 C +ATOM 234 CA PRO A 234 204.908 250.786 264.271 1.00 0.00 C +ATOM 235 CA SER A 235 207.449 253.601 264.637 1.00 0.00 C +ATOM 236 CA CYS A 236 208.524 253.566 268.292 1.00 0.00 C +ATOM 237 CA VAL A 237 209.698 256.952 269.584 1.00 0.00 C +ATOM 238 CA VAL A 238 211.547 260.270 269.891 1.00 0.00 C +ATOM 239 CA THR A 239 215.172 259.353 270.623 1.00 0.00 C +ATOM 240 CA PRO A 240 217.771 262.133 270.433 1.00 0.00 C +ATOM 241 CA PRO A 241 221.003 262.735 268.508 1.00 0.00 C +ATOM 242 CA SER A 242 223.899 264.106 266.445 1.00 0.00 C +ATOM 243 CA SER A 243 226.822 264.810 268.785 1.00 0.00 C +ATOM 244 CA SER A 244 226.498 268.406 270.001 1.00 0.00 C +ATOM 245 CA SER A 245 224.267 271.194 268.671 1.00 0.00 C +ATOM 246 CA PRO A 246 222.887 273.205 265.744 1.00 0.00 C +ATOM 247 CA PRO A 247 221.244 276.398 264.470 1.00 0.00 C +ATOM 248 CA ARG A 248 217.660 276.236 263.188 1.00 0.00 C +ATOM 249 CA MET A 249 216.450 277.474 259.794 1.00 0.00 C +ATOM 250 CA THR A 250 213.560 277.112 257.338 1.00 0.00 C +ATOM 251 CA ARG A 251 210.450 279.255 256.835 1.00 0.00 C +ATOM 252 CA PRO A 252 208.826 282.679 257.220 1.00 0.00 C +ATOM 253 CA ARG A 253 208.845 285.825 255.071 1.00 0.00 C +ATOM 254 CA PRO A 254 210.445 288.287 252.643 1.00 0.00 C +ATOM 255 CA ALA A 255 210.801 291.253 250.278 1.00 0.00 C +ATOM 256 CA SER A 256 208.810 293.621 248.055 1.00 0.00 C +ATOM 257 CA THR A 257 211.128 294.788 245.265 1.00 0.00 C +ATOM 258 CA PRO A 258 213.693 297.533 244.632 1.00 0.00 C +ATOM 259 CA GLY A 259 214.677 299.795 247.535 1.00 0.00 C +ATOM 260 CA ALA A 260 214.179 300.408 251.262 1.00 0.00 C +ATOM 261 CA ASN A 261 214.371 301.382 254.941 1.00 0.00 C +ATOM 262 CA SER A 262 214.578 303.763 257.908 1.00 0.00 C +ATOM 263 CA LYS A 263 212.360 304.733 260.851 1.00 0.00 C +ATOM 264 CA THR A 264 209.292 302.504 261.216 1.00 0.00 C +ATOM 265 CA LEU A 265 206.241 303.552 259.188 1.00 0.00 C +ATOM 266 CA SER A 266 203.206 302.735 257.034 1.00 0.00 C +ATOM 267 CA PRO A 267 200.025 303.029 259.110 1.00 0.00 C +ATOM 268 CA PRO A 268 198.632 300.613 261.705 1.00 0.00 C +TER 269 PRO A 268 +END diff --git a/Viruses/Q33CR5/Q33CR5.dcd b/Viruses/Q33CR5/Q33CR5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..993ebb1b35fa27b19e870ea78673ed3cc242585e --- /dev/null +++ b/Viruses/Q33CR5/Q33CR5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2833bdfda8310b152de81b3eef0d323500d2413c0820f933d3c3152e1e3adb8f +size 13040276 diff --git a/Viruses/Q33CR5/top.pdb b/Viruses/Q33CR5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e6745595d1ac25457bccc002f844f529fea43895 --- /dev/null +++ b/Viruses/Q33CR5/top.pdb @@ -0,0 +1,106 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ARG A 1 227.316 264.996 285.775 1.00 0.00 C +ATOM 2 CA GLN A 2 230.556 262.991 285.765 1.00 0.00 C +ATOM 3 CA LEU A 3 233.736 264.502 284.311 1.00 0.00 C +ATOM 4 CA GLN A 4 236.826 264.202 282.101 1.00 0.00 C +ATOM 5 CA ALA A 5 240.563 263.521 282.392 1.00 0.00 C +ATOM 6 CA GLY A 6 242.510 266.760 282.878 1.00 0.00 C +ATOM 7 CA GLY A 7 245.590 268.855 283.678 1.00 0.00 C +ATOM 8 CA LYS A 8 244.666 272.526 283.245 1.00 0.00 C +ATOM 9 CA SER A 9 242.118 275.219 282.367 1.00 0.00 C +ATOM 10 CA LEU A 10 238.939 277.232 281.772 1.00 0.00 C +ATOM 11 CA SER A 11 237.975 276.402 278.180 1.00 0.00 C +ATOM 12 CA ARG A 12 235.773 276.332 275.072 1.00 0.00 C +ATOM 13 CA GLU A 13 235.735 276.430 271.263 1.00 0.00 C +ATOM 14 CA GLU A 14 236.467 278.671 268.270 1.00 0.00 C +ATOM 15 CA GLU A 15 233.199 280.240 267.096 1.00 0.00 C +ATOM 16 CA GLU A 16 232.338 283.677 268.497 1.00 0.00 C +ATOM 17 CA GLU A 17 232.968 286.539 266.063 1.00 0.00 C +ATOM 18 CA LEU A 18 235.317 285.041 263.464 1.00 0.00 C +ATOM 19 CA LYS A 19 236.801 282.262 261.321 1.00 0.00 C +ATOM 20 CA ARG A 20 237.481 278.536 261.736 1.00 0.00 C +ATOM 21 CA LEU A 21 238.508 276.700 258.559 1.00 0.00 C +ATOM 22 CA THR A 22 241.306 275.679 256.184 1.00 0.00 C +ATOM 23 CA GLU A 23 241.886 272.488 254.184 1.00 0.00 C +ATOM 24 CA GLU A 24 238.497 270.772 253.897 1.00 0.00 C +ATOM 25 CA ASP A 25 234.848 269.745 253.514 1.00 0.00 C +ATOM 26 CA GLU A 26 233.202 272.212 251.122 1.00 0.00 C +ATOM 27 CA ARG A 27 230.513 270.426 249.098 1.00 0.00 C +ATOM 28 CA ARG A 28 232.318 267.414 247.619 1.00 0.00 C +ATOM 29 CA GLU A 29 231.688 263.780 246.666 1.00 0.00 C +ATOM 30 CA ARG A 30 230.524 260.153 246.555 1.00 0.00 C +ATOM 31 CA ARG A 31 228.408 257.446 244.911 1.00 0.00 C +ATOM 32 CA THR A 32 225.200 258.178 242.990 1.00 0.00 C +ATOM 33 CA ALA A 33 225.777 257.625 239.264 1.00 0.00 C +ATOM 34 CA GLY A 34 228.949 258.156 237.222 1.00 0.00 C +ATOM 35 CA PRO A 35 230.724 261.512 236.902 1.00 0.00 C +ATOM 36 CA GLN A 36 229.321 264.009 239.415 1.00 0.00 C +ATOM 37 CA THR A 37 227.251 266.866 237.977 1.00 0.00 C +ATOM 38 CA GLY A 38 228.940 269.142 235.431 1.00 0.00 C +ATOM 39 CA GLY A 39 232.009 270.746 237.021 1.00 0.00 C +ATOM 40 CA VAL A 40 233.933 273.818 238.195 1.00 0.00 C +ATOM 41 CA ASN A 41 236.874 275.319 236.295 1.00 0.00 C +ATOM 42 CA PRO A 42 240.577 275.225 237.188 1.00 0.00 C +ATOM 43 CA LEU A 43 242.407 272.215 235.738 1.00 0.00 C +ATOM 44 CA GLU A 44 243.099 272.412 231.997 1.00 0.00 C +ATOM 45 CA GLY A 45 243.615 270.755 228.605 1.00 0.00 C +ATOM 46 CA GLY A 46 241.340 269.688 225.740 1.00 0.00 C +ATOM 47 CA SER A 47 237.903 268.969 224.261 1.00 0.00 C +ATOM 48 CA ARG A 48 236.223 271.012 221.520 1.00 0.00 C +ATOM 49 CA GLY A 49 235.976 268.674 218.522 1.00 0.00 C +ATOM 50 CA ALA A 50 239.320 266.865 218.279 1.00 0.00 C +ATOM 51 CA PRO A 51 240.206 263.671 216.400 1.00 0.00 C +ATOM 52 CA GLY A 52 243.384 262.304 217.996 1.00 0.00 C +ATOM 53 CA GLY A 53 245.667 262.992 220.967 1.00 0.00 C +ATOM 54 CA GLY A 54 245.655 260.718 224.024 1.00 0.00 C +ATOM 55 CA PHE A 55 248.112 259.020 226.390 1.00 0.00 C +ATOM 56 CA VAL A 56 248.699 255.513 227.756 1.00 0.00 C +ATOM 57 CA PRO A 57 247.187 253.811 230.811 1.00 0.00 C +ATOM 58 CA SER A 58 244.020 255.459 232.142 1.00 0.00 C +ATOM 59 CA MET A 59 240.751 253.682 231.322 1.00 0.00 C +ATOM 60 CA GLN A 60 240.339 250.336 233.098 1.00 0.00 C +ATOM 61 CA GLY A 61 238.919 250.791 236.604 1.00 0.00 C +ATOM 62 CA VAL A 62 239.901 249.755 240.137 1.00 0.00 C +ATOM 63 CA PRO A 63 242.592 251.003 242.528 1.00 0.00 C +ATOM 64 CA GLU A 64 245.896 249.470 243.646 1.00 0.00 C +ATOM 65 CA SER A 65 248.645 250.613 246.024 1.00 0.00 C +ATOM 66 CA PRO A 66 250.004 248.577 248.943 1.00 0.00 C +ATOM 67 CA PHE A 67 251.803 246.396 251.497 1.00 0.00 C +ATOM 68 CA ALA A 68 251.121 242.659 251.793 1.00 0.00 C +ATOM 69 CA ARG A 69 254.350 240.681 252.210 1.00 0.00 C +ATOM 70 CA THR A 70 257.272 243.119 252.384 1.00 0.00 C +ATOM 71 CA GLY A 71 260.779 242.383 253.680 1.00 0.00 C +ATOM 72 CA GLU A 72 263.179 240.694 256.109 1.00 0.00 C +ATOM 73 CA GLY A 73 264.691 237.772 254.189 1.00 0.00 C +ATOM 74 CA LEU A 74 263.329 234.215 254.290 1.00 0.00 C +ATOM 75 CA ASP A 75 265.646 231.299 255.095 1.00 0.00 C +ATOM 76 CA ILE A 76 268.827 229.258 254.614 1.00 0.00 C +ATOM 77 CA ARG A 77 271.802 230.469 252.564 1.00 0.00 C +ATOM 78 CA GLY A 78 272.380 234.234 252.555 1.00 0.00 C +ATOM 79 CA SER A 79 274.345 236.937 254.385 1.00 0.00 C +ATOM 80 CA SER A 80 277.794 235.582 255.270 1.00 0.00 C +ATOM 81 CA GLY A 81 280.609 234.354 257.525 1.00 0.00 C +ATOM 82 CA PHE A 82 280.816 230.550 257.567 1.00 0.00 C +ATOM 83 CA PRO A 83 280.167 226.903 258.455 1.00 0.00 C +ATOM 84 CA TRP A 84 278.600 224.562 261.021 1.00 0.00 C +ATOM 85 CA ASP A 85 277.800 220.842 260.841 1.00 0.00 C +ATOM 86 CA ILE A 86 275.865 218.264 258.809 1.00 0.00 C +ATOM 87 CA LEU A 87 275.657 216.834 255.284 1.00 0.00 C +ATOM 88 CA PHE A 88 277.943 217.888 252.424 1.00 0.00 C +ATOM 89 CA PRO A 89 279.508 216.646 249.180 1.00 0.00 C +ATOM 90 CA ALA A 90 279.286 212.972 248.196 1.00 0.00 C +ATOM 91 CA ASP A 91 279.221 209.966 250.536 1.00 0.00 C +ATOM 92 CA PRO A 92 276.782 207.069 250.118 1.00 0.00 C +ATOM 93 CA PRO A 93 276.989 204.209 252.627 1.00 0.00 C +ATOM 94 CA PHE A 94 276.107 200.523 253.014 1.00 0.00 C +ATOM 95 CA SER A 95 276.250 196.742 252.565 1.00 0.00 C +ATOM 96 CA PRO A 96 273.807 194.098 251.316 1.00 0.00 C +ATOM 97 CA GLN A 97 274.647 191.044 249.199 1.00 0.00 C +ATOM 98 CA SER A 98 277.213 192.080 246.580 1.00 0.00 C +ATOM 99 CA CYS A 99 280.406 190.422 245.327 1.00 0.00 C +ATOM 100 CA ARG A 100 280.179 187.699 242.672 1.00 0.00 C +ATOM 101 CA PRO A 101 279.067 186.693 239.169 1.00 0.00 C +ATOM 102 CA GLN A 102 277.778 183.291 238.039 1.00 0.00 C +TER 103 GLN A 102 +END diff --git a/Viruses/Q33CS0/Q33CS0.dcd b/Viruses/Q33CS0/Q33CS0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..48cd607442e7ba7eb443bd277cc2b2ab760970e7 --- /dev/null +++ b/Viruses/Q33CS0/Q33CS0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d82288bdbfb58ae7438a91f8db702bb5213838e76151fefba87cc2977b7edb38 +size 13040276 diff --git a/Viruses/Q33CS0/top.pdb b/Viruses/Q33CS0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..47aefd6c48fe6ec1d489a89ba64d7ae6d78e7832 --- /dev/null +++ b/Viruses/Q33CS0/top.pdb @@ -0,0 +1,106 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LYS A 1 271.571 249.042 264.507 1.00 0.00 C +ATOM 2 CA GLN A 2 274.533 251.208 263.483 1.00 0.00 C +ATOM 3 CA LEU A 3 277.011 252.380 266.130 1.00 0.00 C +ATOM 4 CA SER A 4 278.295 255.566 267.778 1.00 0.00 C +ATOM 5 CA ALA A 5 279.455 258.335 270.125 1.00 0.00 C +ATOM 6 CA GLY A 6 277.101 261.268 270.735 1.00 0.00 C +ATOM 7 CA GLY A 7 274.179 263.704 270.929 1.00 0.00 C +ATOM 8 CA LYS A 8 271.444 265.488 272.892 1.00 0.00 C +ATOM 9 CA LYS A 9 270.711 269.226 272.808 1.00 0.00 C +ATOM 10 CA LEU A 10 267.817 271.465 273.871 1.00 0.00 C +ATOM 11 CA SER A 11 266.175 274.728 272.788 1.00 0.00 C +ATOM 12 CA ARG A 12 267.237 278.179 271.570 1.00 0.00 C +ATOM 13 CA GLU A 13 269.091 280.892 269.643 1.00 0.00 C +ATOM 14 CA GLU A 14 269.871 279.927 266.040 1.00 0.00 C +ATOM 15 CA GLU A 15 266.923 277.941 264.670 1.00 0.00 C +ATOM 16 CA GLU A 16 263.301 277.696 265.824 1.00 0.00 C +ATOM 17 CA GLU A 17 260.947 275.102 267.324 1.00 0.00 C +ATOM 18 CA LEU A 18 257.364 274.634 268.533 1.00 0.00 C +ATOM 19 CA LYS A 19 254.896 276.907 266.728 1.00 0.00 C +ATOM 20 CA ARG A 20 251.560 278.747 266.711 1.00 0.00 C +ATOM 21 CA LEU A 21 250.892 281.437 264.098 1.00 0.00 C +ATOM 22 CA ALA A 22 252.969 282.511 261.089 1.00 0.00 C +ATOM 23 CA GLU A 23 251.160 283.720 257.962 1.00 0.00 C +ATOM 24 CA GLU A 24 248.370 282.535 255.653 1.00 0.00 C +ATOM 25 CA ASP A 25 248.823 281.769 251.948 1.00 0.00 C +ATOM 26 CA GLU A 26 248.578 278.033 251.241 1.00 0.00 C +ATOM 27 CA ARG A 27 250.029 274.783 249.882 1.00 0.00 C +ATOM 28 CA ARG A 28 248.392 271.428 250.643 1.00 0.00 C +ATOM 29 CA GLU A 29 248.035 267.816 251.802 1.00 0.00 C +ATOM 30 CA ARG A 30 251.236 267.036 253.716 1.00 0.00 C +ATOM 31 CA ARG A 31 254.458 267.132 255.747 1.00 0.00 C +ATOM 32 CA VAL A 32 257.356 265.255 254.135 1.00 0.00 C +ATOM 33 CA ALA A 33 260.787 263.709 254.728 1.00 0.00 C +ATOM 34 CA GLY A 34 261.003 260.060 253.654 1.00 0.00 C +ATOM 35 CA PRO A 35 258.375 257.975 251.847 1.00 0.00 C +ATOM 36 CA PRO A 36 257.419 254.802 253.727 1.00 0.00 C +ATOM 37 CA THR A 37 254.052 253.347 252.695 1.00 0.00 C +ATOM 38 CA GLY A 38 253.606 250.509 250.192 1.00 0.00 C +ATOM 39 CA GLY A 39 255.013 246.969 250.243 1.00 0.00 C +ATOM 40 CA VAL A 40 257.350 244.063 249.465 1.00 0.00 C +ATOM 41 CA ASN A 41 256.262 242.547 246.144 1.00 0.00 C +ATOM 42 CA PRO A 42 259.208 240.855 244.420 1.00 0.00 C +ATOM 43 CA LEU A 43 261.389 238.333 242.576 1.00 0.00 C +ATOM 44 CA GLU A 44 264.193 236.471 240.791 1.00 0.00 C +ATOM 45 CA GLY A 45 266.101 236.269 237.499 1.00 0.00 C +ATOM 46 CA GLY A 46 266.478 236.253 233.708 1.00 0.00 C +ATOM 47 CA SER A 47 268.790 236.746 230.720 1.00 0.00 C +ATOM 48 CA ARG A 48 269.419 238.411 227.352 1.00 0.00 C +ATOM 49 CA GLY A 49 268.643 242.124 227.715 1.00 0.00 C +ATOM 50 CA ALA A 50 265.412 243.616 229.076 1.00 0.00 C +ATOM 51 CA PRO A 51 263.346 242.156 231.925 1.00 0.00 C +ATOM 52 CA GLY A 52 263.407 242.113 235.734 1.00 0.00 C +ATOM 53 CA GLY A 53 259.982 242.359 237.385 1.00 0.00 C +ATOM 54 CA GLY A 54 256.500 243.751 238.060 1.00 0.00 C +ATOM 55 CA PHE A 55 253.733 241.995 236.118 1.00 0.00 C +ATOM 56 CA VAL A 56 250.797 241.005 238.336 1.00 0.00 C +ATOM 57 CA PRO A 57 252.188 239.674 241.624 1.00 0.00 C +ATOM 58 CA SER A 58 250.173 237.112 243.598 1.00 0.00 C +ATOM 59 CA MET A 59 248.355 234.655 241.323 1.00 0.00 C +ATOM 60 CA GLN A 60 248.837 230.895 240.936 1.00 0.00 C +ATOM 61 CA GLY A 61 246.350 228.013 240.788 1.00 0.00 C +ATOM 62 CA VAL A 62 247.108 224.331 240.168 1.00 0.00 C +ATOM 63 CA PRO A 63 245.918 221.172 241.936 1.00 0.00 C +ATOM 64 CA GLU A 64 245.445 220.988 245.712 1.00 0.00 C +ATOM 65 CA SER A 65 245.290 223.094 248.882 1.00 0.00 C +ATOM 66 CA PRO A 66 247.575 222.793 251.916 1.00 0.00 C +ATOM 67 CA PHE A 67 251.056 221.734 250.787 1.00 0.00 C +ATOM 68 CA SER A 68 254.073 223.148 248.938 1.00 0.00 C +ATOM 69 CA ARG A 69 254.693 225.704 246.182 1.00 0.00 C +ATOM 70 CA THR A 70 257.514 227.881 247.529 1.00 0.00 C +ATOM 71 CA GLY A 71 256.632 230.822 249.786 1.00 0.00 C +ATOM 72 CA GLY A 72 253.217 231.311 251.403 1.00 0.00 C +ATOM 73 CA GLY A 73 250.170 229.427 250.105 1.00 0.00 C +ATOM 74 CA LEU A 74 246.800 231.008 249.295 1.00 0.00 C +ATOM 75 CA ASP A 75 243.703 229.092 250.416 1.00 0.00 C +ATOM 76 CA VAL A 76 240.708 228.921 248.067 1.00 0.00 C +ATOM 77 CA ARG A 77 238.013 228.353 245.434 1.00 0.00 C +ATOM 78 CA GLY A 78 236.365 227.269 242.174 1.00 0.00 C +ATOM 79 CA GLU A 79 235.848 225.726 238.729 1.00 0.00 C +ATOM 80 CA LEU A 80 233.036 225.495 236.169 1.00 0.00 C +ATOM 81 CA GLY A 81 230.348 226.411 233.629 1.00 0.00 C +ATOM 82 CA PHE A 82 226.991 228.164 233.214 1.00 0.00 C +ATOM 83 CA PRO A 83 225.275 229.641 236.279 1.00 0.00 C +ATOM 84 CA TRP A 84 227.731 232.169 237.726 1.00 0.00 C +ATOM 85 CA ASP A 85 227.162 235.491 235.949 1.00 0.00 C +ATOM 86 CA ILE A 86 226.642 239.219 236.535 1.00 0.00 C +ATOM 87 CA LEU A 87 224.424 242.316 236.600 1.00 0.00 C +ATOM 88 CA PHE A 88 223.226 245.755 235.477 1.00 0.00 C +ATOM 89 CA PRO A 89 223.648 249.501 236.029 1.00 0.00 C +ATOM 90 CA SER A 90 222.527 252.668 237.825 1.00 0.00 C +ATOM 91 CA ASP A 91 222.761 255.945 239.754 1.00 0.00 C +ATOM 92 CA PRO A 92 220.113 256.904 242.320 1.00 0.00 C +ATOM 93 CA PRO A 93 218.008 255.795 245.296 1.00 0.00 C +ATOM 94 CA PHE A 94 216.632 258.716 247.318 1.00 0.00 C +ATOM 95 CA SER A 95 218.199 260.602 250.234 1.00 0.00 C +ATOM 96 CA PRO A 96 221.193 259.013 251.975 1.00 0.00 C +ATOM 97 CA GLN A 97 223.049 261.350 254.343 1.00 0.00 C +ATOM 98 CA SER A 98 226.705 262.241 253.746 1.00 0.00 C +ATOM 99 CA CYS A 99 228.824 260.487 256.382 1.00 0.00 C +ATOM 100 CA ARG A 100 227.547 257.503 258.377 1.00 0.00 C +ATOM 101 CA PRO A 101 229.998 255.342 260.335 1.00 0.00 C +ATOM 102 CA GLN A 102 228.883 253.818 263.644 1.00 0.00 C +TER 103 GLN A 102 +END diff --git a/Viruses/Q33CS7/Q33CS7.dcd b/Viruses/Q33CS7/Q33CS7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..99bd13a0ba16f88de1dbc39654cdd2014fb37f4f --- /dev/null +++ b/Viruses/Q33CS7/Q33CS7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:09fe9948287263cad4a346ba913e4bcd553a1579a5b602dbf5fd2c6851a88de2 +size 13040276 diff --git a/Viruses/Q33CS7/top.pdb b/Viruses/Q33CS7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3b6871196514c5773e7d249ec72f6d05a876a82c --- /dev/null +++ b/Viruses/Q33CS7/top.pdb @@ -0,0 +1,106 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ARG A 1 179.352 220.295 268.940 1.00 0.00 C +ATOM 2 CA LEU A 2 176.202 220.929 266.892 1.00 0.00 C +ATOM 3 CA SER A 3 174.881 224.372 265.935 1.00 0.00 C +ATOM 4 CA THR A 4 175.513 226.472 262.820 1.00 0.00 C +ATOM 5 CA ALA A 5 177.385 229.651 261.866 1.00 0.00 C +ATOM 6 CA GLY A 6 177.063 232.223 259.074 1.00 0.00 C +ATOM 7 CA GLY A 7 177.873 235.835 258.173 1.00 0.00 C +ATOM 8 CA LYS A 8 179.301 237.098 254.874 1.00 0.00 C +ATOM 9 CA ASN A 9 182.094 239.171 253.320 1.00 0.00 C +ATOM 10 CA LEU A 10 184.205 240.843 256.016 1.00 0.00 C +ATOM 11 CA SER A 11 187.384 240.444 258.078 1.00 0.00 C +ATOM 12 CA ARG A 12 190.646 239.045 259.461 1.00 0.00 C +ATOM 13 CA GLU A 13 193.620 240.124 261.584 1.00 0.00 C +ATOM 14 CA GLU A 14 196.804 238.346 262.689 1.00 0.00 C +ATOM 15 CA GLU A 15 199.629 240.228 264.419 1.00 0.00 C +ATOM 16 CA GLY A 16 201.801 243.262 263.651 1.00 0.00 C +ATOM 17 CA GLU A 17 205.568 242.833 263.279 1.00 0.00 C +ATOM 18 CA HIS A 18 208.627 243.903 265.282 1.00 0.00 C +ATOM 19 CA LYS A 19 211.657 246.187 264.930 1.00 0.00 C +ATOM 20 CA ARG A 20 214.955 244.506 264.030 1.00 0.00 C +ATOM 21 CA LEU A 21 218.340 243.843 262.410 1.00 0.00 C +ATOM 22 CA THR A 22 219.761 244.096 258.884 1.00 0.00 C +ATOM 23 CA GLU A 23 221.884 242.661 256.065 1.00 0.00 C +ATOM 24 CA GLU A 24 224.709 243.118 253.549 1.00 0.00 C +ATOM 25 CA ASP A 25 223.809 244.499 250.114 1.00 0.00 C +ATOM 26 CA GLU A 26 223.258 246.398 246.857 1.00 0.00 C +ATOM 27 CA ARG A 27 221.643 248.803 244.382 1.00 0.00 C +ATOM 28 CA ARG A 28 222.667 251.146 241.558 1.00 0.00 C +ATOM 29 CA GLU A 29 220.879 254.492 241.215 1.00 0.00 C +ATOM 30 CA ARG A 30 218.769 254.335 238.046 1.00 0.00 C +ATOM 31 CA ARG A 31 216.088 251.809 237.073 1.00 0.00 C +ATOM 32 CA VAL A 32 212.566 253.210 237.456 1.00 0.00 C +ATOM 33 CA ALA A 33 212.775 256.982 237.949 1.00 0.00 C +ATOM 34 CA GLY A 34 211.511 258.226 241.321 1.00 0.00 C +ATOM 35 CA PRO A 35 214.171 259.481 243.744 1.00 0.00 C +ATOM 36 CA GLN A 36 216.411 262.497 243.109 1.00 0.00 C +ATOM 37 CA VAL A 37 219.567 262.534 240.974 1.00 0.00 C +ATOM 38 CA GLY A 38 223.222 263.599 241.109 1.00 0.00 C +ATOM 39 CA GLY A 39 226.627 262.362 242.289 1.00 0.00 C +ATOM 40 CA VAL A 40 227.471 259.158 244.170 1.00 0.00 C +ATOM 41 CA ASN A 41 226.976 256.222 246.548 1.00 0.00 C +ATOM 42 CA PRO A 42 226.719 254.454 249.913 1.00 0.00 C +ATOM 43 CA LEU A 43 227.748 253.220 253.367 1.00 0.00 C +ATOM 44 CA GLU A 44 225.917 254.251 256.546 1.00 0.00 C +ATOM 45 CA GLY A 45 227.922 253.105 259.576 1.00 0.00 C +ATOM 46 CA GLY A 46 231.087 252.278 261.530 1.00 0.00 C +ATOM 47 CA SER A 47 234.479 254.007 261.677 1.00 0.00 C +ATOM 48 CA ARG A 48 236.943 253.535 264.544 1.00 0.00 C +ATOM 49 CA GLY A 49 240.411 252.844 265.962 1.00 0.00 C +ATOM 50 CA ALA A 50 243.999 251.572 265.806 1.00 0.00 C +ATOM 51 CA PRO A 51 245.553 248.785 267.888 1.00 0.00 C +ATOM 52 CA GLY A 52 248.564 249.758 270.010 1.00 0.00 C +ATOM 53 CA GLY A 53 252.145 249.680 268.711 1.00 0.00 C +ATOM 54 CA GLY A 54 254.895 248.648 266.284 1.00 0.00 C +ATOM 55 CA PHE A 55 258.500 249.300 267.331 1.00 0.00 C +ATOM 56 CA VAL A 56 261.332 251.401 268.774 1.00 0.00 C +ATOM 57 CA PRO A 57 264.776 249.996 269.600 1.00 0.00 C +ATOM 58 CA SER A 58 267.560 248.461 271.699 1.00 0.00 C +ATOM 59 CA MET A 59 269.898 245.538 270.986 1.00 0.00 C +ATOM 60 CA GLN A 60 271.485 246.137 267.574 1.00 0.00 C +ATOM 61 CA GLY A 61 274.911 247.771 267.908 1.00 0.00 C +ATOM 62 CA VAL A 62 277.481 249.178 265.473 1.00 0.00 C +ATOM 63 CA PRO A 63 277.852 252.693 264.051 1.00 0.00 C +ATOM 64 CA GLU A 64 278.317 256.388 264.855 1.00 0.00 C +ATOM 65 CA SER A 65 278.671 259.145 262.250 1.00 0.00 C +ATOM 66 CA PRO A 66 280.839 261.927 260.809 1.00 0.00 C +ATOM 67 CA PHE A 67 283.906 261.643 258.567 1.00 0.00 C +ATOM 68 CA THR A 68 283.268 263.819 255.505 1.00 0.00 C +ATOM 69 CA ARG A 69 281.033 264.167 252.439 1.00 0.00 C +ATOM 70 CA THR A 70 278.136 262.489 250.620 1.00 0.00 C +ATOM 71 CA GLY A 71 278.423 260.055 247.703 1.00 0.00 C +ATOM 72 CA GLU A 72 279.976 256.759 246.590 1.00 0.00 C +ATOM 73 CA GLY A 73 281.291 257.238 243.047 1.00 0.00 C +ATOM 74 CA LEU A 74 284.346 259.089 241.721 1.00 0.00 C +ATOM 75 CA ASP A 75 286.786 259.111 244.647 1.00 0.00 C +ATOM 76 CA LEU A 76 290.477 259.956 245.065 1.00 0.00 C +ATOM 77 CA THR A 77 293.194 257.419 244.228 1.00 0.00 C +ATOM 78 CA GLY A 78 293.024 254.100 242.365 1.00 0.00 C +ATOM 79 CA ASN A 79 296.616 253.033 241.679 1.00 0.00 C +ATOM 80 CA ARG A 80 299.672 254.924 242.946 1.00 0.00 C +ATOM 81 CA GLY A 81 303.156 253.390 243.088 1.00 0.00 C +ATOM 82 CA PHE A 82 306.003 253.910 240.609 1.00 0.00 C +ATOM 83 CA PRO A 83 305.103 255.384 237.213 1.00 0.00 C +ATOM 84 CA TRP A 84 305.304 257.870 234.333 1.00 0.00 C +ATOM 85 CA ASP A 85 305.216 259.864 231.088 1.00 0.00 C +ATOM 86 CA ILE A 86 307.059 258.106 228.255 1.00 0.00 C +ATOM 87 CA LEU A 87 310.617 258.631 227.000 1.00 0.00 C +ATOM 88 CA PHE A 88 313.405 256.178 227.855 1.00 0.00 C +ATOM 89 CA PRO A 89 314.170 254.109 224.749 1.00 0.00 C +ATOM 90 CA SER A 90 311.285 252.026 223.389 1.00 0.00 C +ATOM 91 CA ASP A 91 307.699 252.366 222.145 1.00 0.00 C +ATOM 92 CA PRO A 92 305.486 252.009 219.065 1.00 0.00 C +ATOM 93 CA PRO A 93 301.952 251.020 220.091 1.00 0.00 C +ATOM 94 CA PHE A 94 299.501 248.626 221.756 1.00 0.00 C +ATOM 95 CA SER A 95 297.114 249.143 224.681 1.00 0.00 C +ATOM 96 CA PRO A 96 296.382 249.810 228.360 1.00 0.00 C +ATOM 97 CA GLN A 97 298.784 248.484 231.003 1.00 0.00 C +ATOM 98 CA SER A 98 300.575 248.806 234.350 1.00 0.00 C +ATOM 99 CA CYS A 99 304.274 248.157 233.709 1.00 0.00 C +ATOM 100 CA ARG A 100 305.247 245.788 230.888 1.00 0.00 C +ATOM 101 CA PRO A 101 308.160 243.418 231.534 1.00 0.00 C +ATOM 102 CA GLN A 102 307.694 239.793 230.455 1.00 0.00 C +TER 103 GLN A 102 +END diff --git a/Viruses/Q33CU7/Q33CU7.dcd b/Viruses/Q33CU7/Q33CU7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..255cff8bf8cb40b59cb09b49e55c8099dcd33f33 --- /dev/null +++ b/Viruses/Q33CU7/Q33CU7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5e9dde656a416120680a660c1de8c37f03bc6a753abc098e21e5b83b89226857 +size 10760276 diff --git a/Viruses/Q33CU7/top.pdb b/Viruses/Q33CU7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..974a01738962a2c83ecc3625550d0e0479102cf8 --- /dev/null +++ b/Viruses/Q33CU7/top.pdb @@ -0,0 +1,87 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LYS A 1 265.359 235.971 286.670 1.00 0.00 C +ATOM 2 CA GLN A 2 267.499 235.576 283.543 1.00 0.00 C +ATOM 3 CA LEU A 3 266.099 237.571 280.614 1.00 0.00 C +ATOM 4 CA SER A 4 268.230 240.217 278.888 1.00 0.00 C +ATOM 5 CA ALA A 5 271.099 242.410 280.101 1.00 0.00 C +ATOM 6 CA GLY A 6 272.021 244.630 277.144 1.00 0.00 C +ATOM 7 CA GLY A 7 269.857 245.122 274.047 1.00 0.00 C +ATOM 8 CA LYS A 8 268.993 248.624 272.822 1.00 0.00 C +ATOM 9 CA ARG A 9 266.968 250.382 270.115 1.00 0.00 C +ATOM 10 CA LEU A 10 267.218 253.562 268.030 1.00 0.00 C +ATOM 11 CA SER A 11 264.758 256.219 266.846 1.00 0.00 C +ATOM 12 CA LYS A 12 261.436 255.452 265.146 1.00 0.00 C +ATOM 13 CA GLU A 13 258.995 258.291 264.440 1.00 0.00 C +ATOM 14 CA GLU A 14 255.247 258.499 265.089 1.00 0.00 C +ATOM 15 CA GLU A 15 253.132 260.049 267.853 1.00 0.00 C +ATOM 16 CA GLU A 16 251.497 257.475 270.138 1.00 0.00 C +ATOM 17 CA GLU A 17 249.085 258.165 273.005 1.00 0.00 C +ATOM 18 CA LEU A 18 251.068 258.686 276.216 1.00 0.00 C +ATOM 19 CA LYS A 19 251.522 260.826 279.336 1.00 0.00 C +ATOM 20 CA ARG A 20 254.031 263.682 279.590 1.00 0.00 C +ATOM 21 CA LEU A 21 254.915 266.936 281.363 1.00 0.00 C +ATOM 22 CA THR A 22 254.639 270.291 283.146 1.00 0.00 C +ATOM 23 CA GLU A 23 256.286 273.132 281.214 1.00 0.00 C +ATOM 24 CA GLU A 24 259.738 272.537 279.714 1.00 0.00 C +ATOM 25 CA ASP A 25 261.547 270.146 277.364 1.00 0.00 C +ATOM 26 CA GLU A 26 263.073 268.839 274.127 1.00 0.00 C +ATOM 27 CA ARG A 27 264.582 270.360 270.977 1.00 0.00 C +ATOM 28 CA ARG A 28 265.525 268.335 267.890 1.00 0.00 C +ATOM 29 CA GLU A 29 265.019 268.303 264.114 1.00 0.00 C +ATOM 30 CA ARG A 30 263.190 267.205 260.957 1.00 0.00 C +ATOM 31 CA ARG A 31 260.180 265.232 259.706 1.00 0.00 C +ATOM 32 CA VAL A 32 258.774 262.187 257.899 1.00 0.00 C +ATOM 33 CA ALA A 33 260.798 258.963 258.037 1.00 0.00 C +ATOM 34 CA GLY A 34 262.385 258.308 254.636 1.00 0.00 C +ATOM 35 CA PRO A 35 259.654 256.784 252.459 1.00 0.00 C +ATOM 36 CA PRO A 36 256.048 257.522 251.474 1.00 0.00 C +ATOM 37 CA PRO A 37 253.549 256.158 254.006 1.00 0.00 C +ATOM 38 CA GLY A 38 251.532 258.820 255.838 1.00 0.00 C +ATOM 39 CA GLY A 39 248.018 258.252 257.199 1.00 0.00 C +ATOM 40 CA VAL A 40 245.236 259.445 254.885 1.00 0.00 C +ATOM 41 CA ASN A 41 244.454 257.992 251.451 1.00 0.00 C +ATOM 42 CA PRO A 42 247.470 257.675 249.144 1.00 0.00 C +ATOM 43 CA LEU A 43 249.381 259.132 246.188 1.00 0.00 C +ATOM 44 CA GLU A 44 248.004 262.649 245.691 1.00 0.00 C +ATOM 45 CA GLY A 45 250.198 265.650 246.527 1.00 0.00 C +ATOM 46 CA GLY A 46 253.996 265.463 246.756 1.00 0.00 C +ATOM 47 CA SER A 47 255.169 263.735 243.569 1.00 0.00 C +ATOM 48 CA ARG A 48 255.662 263.404 239.806 1.00 0.00 C +ATOM 49 CA GLY A 49 255.594 260.167 237.797 1.00 0.00 C +ATOM 50 CA ALA A 50 255.338 256.378 237.495 1.00 0.00 C +ATOM 51 CA PRO A 51 257.781 253.550 236.750 1.00 0.00 C +ATOM 52 CA GLY A 52 257.003 249.821 236.724 1.00 0.00 C +ATOM 53 CA GLY A 53 256.504 246.126 237.508 1.00 0.00 C +ATOM 54 CA GLY A 54 255.539 245.720 241.172 1.00 0.00 C +ATOM 55 CA LEU A 55 252.206 244.236 242.269 1.00 0.00 C +ATOM 56 CA VAL A 56 252.631 240.469 242.646 1.00 0.00 C +ATOM 57 CA PRO A 57 252.903 238.439 239.433 1.00 0.00 C +ATOM 58 CA SER A 58 253.400 236.702 236.079 1.00 0.00 C +ATOM 59 CA MET A 59 252.857 237.220 232.344 1.00 0.00 C +ATOM 60 CA GLN A 60 250.510 238.220 229.514 1.00 0.00 C +ATOM 61 CA GLY A 61 251.814 237.091 226.116 1.00 0.00 C +ATOM 62 CA ALA A 62 249.327 238.080 223.405 1.00 0.00 C +ATOM 63 CA PRO A 63 246.101 238.572 221.439 1.00 0.00 C +ATOM 64 CA GLU A 64 242.638 237.049 221.893 1.00 0.00 C +ATOM 65 CA PHE A 65 240.021 234.280 221.907 1.00 0.00 C +ATOM 66 CA PRO A 66 239.143 231.877 224.730 1.00 0.00 C +ATOM 67 CA PHE A 67 235.915 229.861 224.905 1.00 0.00 C +ATOM 68 CA ALA A 68 235.057 227.976 221.707 1.00 0.00 C +ATOM 69 CA ARG A 69 233.522 230.054 218.906 1.00 0.00 C +ATOM 70 CA THR A 70 230.526 231.708 217.230 1.00 0.00 C +ATOM 71 CA GLY A 71 227.500 233.332 218.879 1.00 0.00 C +ATOM 72 CA GLU A 72 224.872 234.803 221.213 1.00 0.00 C +ATOM 73 CA GLY A 73 225.180 237.138 224.207 1.00 0.00 C +ATOM 74 CA PRO A 74 227.243 240.171 225.239 1.00 0.00 C +ATOM 75 CA ASP A 75 225.808 241.465 228.522 1.00 0.00 C +ATOM 76 CA ARG A 76 222.403 243.081 229.084 1.00 0.00 C +ATOM 77 CA GLY A 77 220.520 240.722 231.409 1.00 0.00 C +ATOM 78 CA GLY A 78 218.234 237.728 230.836 1.00 0.00 C +ATOM 79 CA ASN A 79 220.386 234.771 229.768 1.00 0.00 C +ATOM 80 CA ARG A 80 221.726 232.588 226.947 1.00 0.00 C +ATOM 81 CA GLY A 81 219.635 231.322 224.025 1.00 0.00 C +ATOM 82 CA ILE A 82 218.288 227.977 222.796 1.00 0.00 C +ATOM 83 CA PRO A 83 218.737 226.441 219.338 1.00 0.00 C +TER 84 PRO A 83 +END diff --git a/Viruses/Q33CV3/Q33CV3.dcd b/Viruses/Q33CV3/Q33CV3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d7b327059dab01a4bfe2c5a45d6a14ac017e043d --- /dev/null +++ b/Viruses/Q33CV3/Q33CV3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7835e061de6703b3ef201e1e2e2dc958339a1d75b85cfdb3959f9972d4a76ffe +size 10760276 diff --git a/Viruses/Q33CV3/top.pdb b/Viruses/Q33CV3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2a408f53de5090a814e17f093e1f947e82689f4d --- /dev/null +++ b/Viruses/Q33CV3/top.pdb @@ -0,0 +1,87 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LYS A 1 248.315 276.647 248.769 1.00 0.00 C +ATOM 2 CA GLN A 2 244.894 275.228 249.662 1.00 0.00 C +ATOM 3 CA LEU A 3 241.596 274.637 247.848 1.00 0.00 C +ATOM 4 CA SER A 4 241.708 276.863 244.757 1.00 0.00 C +ATOM 5 CA ALA A 5 244.714 277.543 242.517 1.00 0.00 C +ATOM 6 CA GLY A 6 246.709 280.057 240.465 1.00 0.00 C +ATOM 7 CA GLY A 7 248.403 280.334 237.064 1.00 0.00 C +ATOM 8 CA LYS A 8 251.265 277.979 236.178 1.00 0.00 C +ATOM 9 CA ARG A 9 253.648 275.476 234.575 1.00 0.00 C +ATOM 10 CA LEU A 10 256.488 274.170 232.397 1.00 0.00 C +ATOM 11 CA SER A 11 260.242 274.807 232.244 1.00 0.00 C +ATOM 12 CA LYS A 12 263.255 272.518 231.803 1.00 0.00 C +ATOM 13 CA GLU A 13 265.489 270.577 234.203 1.00 0.00 C +ATOM 14 CA GLU A 14 264.619 269.067 237.591 1.00 0.00 C +ATOM 15 CA GLU A 15 261.283 267.230 237.476 1.00 0.00 C +ATOM 16 CA GLU A 16 259.644 267.439 234.043 1.00 0.00 C +ATOM 17 CA GLU A 17 261.869 265.757 231.447 1.00 0.00 C +ATOM 18 CA LEU A 18 262.592 264.639 227.878 1.00 0.00 C +ATOM 19 CA LYS A 19 261.361 261.060 227.440 1.00 0.00 C +ATOM 20 CA ARG A 20 262.221 258.464 230.093 1.00 0.00 C +ATOM 21 CA LEU A 21 262.576 257.762 233.821 1.00 0.00 C +ATOM 22 CA THR A 22 259.480 259.053 235.628 1.00 0.00 C +ATOM 23 CA GLU A 23 256.367 258.272 237.681 1.00 0.00 C +ATOM 24 CA GLU A 24 255.430 259.159 241.266 1.00 0.00 C +ATOM 25 CA ASP A 25 253.611 257.184 243.969 1.00 0.00 C +ATOM 26 CA GLU A 26 251.839 254.232 245.601 1.00 0.00 C +ATOM 27 CA ARG A 27 250.514 251.114 247.343 1.00 0.00 C +ATOM 28 CA ARG A 28 249.954 248.003 249.470 1.00 0.00 C +ATOM 29 CA GLU A 29 252.608 245.309 249.005 1.00 0.00 C +ATOM 30 CA ARG A 30 251.276 242.046 250.451 1.00 0.00 C +ATOM 31 CA ARG A 31 252.394 238.408 250.260 1.00 0.00 C +ATOM 32 CA VAL A 32 251.134 235.606 248.008 1.00 0.00 C +ATOM 33 CA ALA A 33 248.442 232.990 247.348 1.00 0.00 C +ATOM 34 CA GLY A 34 247.067 230.094 249.406 1.00 0.00 C +ATOM 35 CA PRO A 35 246.178 227.043 247.305 1.00 0.00 C +ATOM 36 CA PRO A 36 244.779 228.471 244.061 1.00 0.00 C +ATOM 37 CA PRO A 37 241.747 230.571 243.106 1.00 0.00 C +ATOM 38 CA GLY A 38 240.283 232.398 246.112 1.00 0.00 C +ATOM 39 CA GLY A 39 239.387 232.374 249.815 1.00 0.00 C +ATOM 40 CA VAL A 40 236.606 230.372 251.481 1.00 0.00 C +ATOM 41 CA ASN A 41 237.860 228.719 254.677 1.00 0.00 C +ATOM 42 CA PRO A 42 236.026 228.499 258.010 1.00 0.00 C +ATOM 43 CA LEU A 43 232.745 227.035 259.277 1.00 0.00 C +ATOM 44 CA GLU A 44 230.574 227.717 262.332 1.00 0.00 C +ATOM 45 CA GLY A 45 230.586 225.154 265.152 1.00 0.00 C +ATOM 46 CA GLY A 46 231.793 226.715 268.411 1.00 0.00 C +ATOM 47 CA SER A 47 231.941 229.409 271.102 1.00 0.00 C +ATOM 48 CA ARG A 48 231.149 233.133 270.966 1.00 0.00 C +ATOM 49 CA GLY A 49 230.107 234.884 274.186 1.00 0.00 C +ATOM 50 CA ALA A 50 229.527 238.562 274.994 1.00 0.00 C +ATOM 51 CA PRO A 51 232.416 240.968 275.613 1.00 0.00 C +ATOM 52 CA GLY A 52 236.075 241.333 276.611 1.00 0.00 C +ATOM 53 CA GLY A 53 238.299 238.334 277.365 1.00 0.00 C +ATOM 54 CA GLY A 54 242.046 238.910 276.982 1.00 0.00 C +ATOM 55 CA PHE A 55 245.377 240.332 275.799 1.00 0.00 C +ATOM 56 CA VAL A 56 249.046 239.659 276.576 1.00 0.00 C +ATOM 57 CA PRO A 57 251.933 239.223 274.128 1.00 0.00 C +ATOM 58 CA SER A 58 250.625 238.544 270.614 1.00 0.00 C +ATOM 59 CA MET A 59 250.826 241.125 267.819 1.00 0.00 C +ATOM 60 CA GLN A 60 248.853 244.028 266.336 1.00 0.00 C +ATOM 61 CA GLY A 61 246.980 247.285 266.971 1.00 0.00 C +ATOM 62 CA VAL A 62 246.181 249.155 263.749 1.00 0.00 C +ATOM 63 CA PRO A 63 248.355 250.845 261.116 1.00 0.00 C +ATOM 64 CA GLY A 64 251.979 251.023 262.275 1.00 0.00 C +ATOM 65 CA SER A 65 253.357 254.150 260.588 1.00 0.00 C +ATOM 66 CA PRO A 66 256.340 252.901 258.574 1.00 0.00 C +ATOM 67 CA LEU A 67 255.561 252.004 254.954 1.00 0.00 C +ATOM 68 CA THR A 68 258.296 253.156 252.565 1.00 0.00 C +ATOM 69 CA ARG A 69 259.960 250.304 250.664 1.00 0.00 C +ATOM 70 CA THR A 70 262.852 247.826 250.769 1.00 0.00 C +ATOM 71 CA GLY A 71 265.209 245.628 248.736 1.00 0.00 C +ATOM 72 CA GLU A 72 266.066 247.371 245.459 1.00 0.00 C +ATOM 73 CA GLY A 73 264.596 250.881 245.643 1.00 0.00 C +ATOM 74 CA PRO A 74 265.026 253.794 243.225 1.00 0.00 C +ATOM 75 CA ASP A 75 262.737 254.171 240.203 1.00 0.00 C +ATOM 76 CA ILE A 76 260.367 252.339 237.848 1.00 0.00 C +ATOM 77 CA GLY A 77 258.377 252.580 234.608 1.00 0.00 C +ATOM 78 CA GLY A 78 257.043 249.708 232.490 1.00 0.00 C +ATOM 79 CA ASP A 79 254.364 247.753 234.366 1.00 0.00 C +ATOM 80 CA GLN A 80 252.605 247.862 237.743 1.00 0.00 C +ATOM 81 CA GLY A 81 251.280 248.242 241.295 1.00 0.00 C +ATOM 82 CA ILE A 82 247.623 249.302 241.160 1.00 0.00 C +ATOM 83 CA PRO A 83 245.057 248.486 238.465 1.00 0.00 C +TER 84 PRO A 83 +END diff --git a/Viruses/Q33CV7/Q33CV7.dcd b/Viruses/Q33CV7/Q33CV7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..057fac7a5c4aaf0195c2b6c615e3e9f1257bf8f4 --- /dev/null +++ b/Viruses/Q33CV7/Q33CV7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4b8de1a335af2310debcd43be041c2668267d033c62548c320a34037bfb55556 +size 10760276 diff --git a/Viruses/Q33CV7/top.pdb b/Viruses/Q33CV7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..65c8820494f1e9f663a56d8c2bc98029d4133bdf --- /dev/null +++ b/Viruses/Q33CV7/top.pdb @@ -0,0 +1,87 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LYS A 1 222.023 269.065 251.808 1.00 0.00 C +ATOM 2 CA GLN A 2 224.775 268.426 254.364 1.00 0.00 C +ATOM 3 CA LEU A 3 225.612 264.872 255.453 1.00 0.00 C +ATOM 4 CA SER A 4 224.330 261.307 255.047 1.00 0.00 C +ATOM 5 CA ALA A 5 223.011 257.946 253.832 1.00 0.00 C +ATOM 6 CA GLY A 6 221.503 255.317 256.141 1.00 0.00 C +ATOM 7 CA GLY A 7 224.333 253.369 257.788 1.00 0.00 C +ATOM 8 CA LYS A 8 226.705 255.189 260.148 1.00 0.00 C +ATOM 9 CA ASN A 9 230.133 253.526 260.180 1.00 0.00 C +ATOM 10 CA LEU A 10 232.918 256.104 260.513 1.00 0.00 C +ATOM 11 CA SER A 11 232.665 259.741 261.620 1.00 0.00 C +ATOM 12 CA ARG A 12 231.334 263.031 260.234 1.00 0.00 C +ATOM 13 CA GLU A 13 231.548 264.417 256.691 1.00 0.00 C +ATOM 14 CA GLU A 14 231.415 266.071 253.262 1.00 0.00 C +ATOM 15 CA GLU A 15 232.910 264.916 249.953 1.00 0.00 C +ATOM 16 CA GLU A 16 234.999 265.035 246.769 1.00 0.00 C +ATOM 17 CA GLU A 17 237.802 262.816 245.452 1.00 0.00 C +ATOM 18 CA LEU A 18 239.934 260.494 243.312 1.00 0.00 C +ATOM 19 CA LYS A 19 241.322 258.523 240.361 1.00 0.00 C +ATOM 20 CA ARG A 20 239.015 256.823 237.850 1.00 0.00 C +ATOM 21 CA LEU A 21 238.621 253.123 237.031 1.00 0.00 C +ATOM 22 CA THR A 22 238.922 251.502 233.596 1.00 0.00 C +ATOM 23 CA GLU A 23 240.014 250.707 230.034 1.00 0.00 C +ATOM 24 CA GLU A 24 242.211 253.572 228.816 1.00 0.00 C +ATOM 25 CA ASP A 25 245.327 253.846 230.991 1.00 0.00 C +ATOM 26 CA GLU A 26 247.357 256.581 232.698 1.00 0.00 C +ATOM 27 CA ARG A 27 247.269 257.708 236.337 1.00 0.00 C +ATOM 28 CA ARG A 28 250.195 256.427 238.414 1.00 0.00 C +ATOM 29 CA LYS A 29 252.622 257.641 241.089 1.00 0.00 C +ATOM 30 CA ARG A 30 252.042 256.316 244.614 1.00 0.00 C +ATOM 31 CA ARG A 31 251.080 259.052 247.084 1.00 0.00 C +ATOM 32 CA VAL A 32 247.897 260.536 248.563 1.00 0.00 C +ATOM 33 CA ALA A 33 245.661 258.528 250.904 1.00 0.00 C +ATOM 34 CA GLY A 34 244.147 256.818 253.954 1.00 0.00 C +ATOM 35 CA PRO A 35 245.688 254.602 256.643 1.00 0.00 C +ATOM 36 CA GLN A 36 249.044 255.676 258.093 1.00 0.00 C +ATOM 37 CA VAL A 37 249.753 254.451 261.630 1.00 0.00 C +ATOM 38 CA GLY A 38 249.809 257.506 263.907 1.00 0.00 C +ATOM 39 CA GLY A 39 251.097 259.963 266.518 1.00 0.00 C +ATOM 40 CA VAL A 40 249.896 262.794 268.767 1.00 0.00 C +ATOM 41 CA ASN A 41 249.332 266.002 266.789 1.00 0.00 C +ATOM 42 CA PRO A 42 251.881 266.553 264.012 1.00 0.00 C +ATOM 43 CA LEU A 43 254.206 267.053 261.035 1.00 0.00 C +ATOM 44 CA GLU A 44 256.039 263.777 260.383 1.00 0.00 C +ATOM 45 CA GLY A 45 259.019 263.181 262.681 1.00 0.00 C +ATOM 46 CA GLY A 46 259.478 259.986 264.706 1.00 0.00 C +ATOM 47 CA SER A 47 257.788 257.054 266.456 1.00 0.00 C +ATOM 48 CA ARG A 48 255.724 256.338 269.577 1.00 0.00 C +ATOM 49 CA GLY A 49 253.637 254.619 272.262 1.00 0.00 C +ATOM 50 CA ALA A 50 251.914 253.372 275.423 1.00 0.00 C +ATOM 51 CA PRO A 51 252.719 249.652 275.604 1.00 0.00 C +ATOM 52 CA GLY A 52 251.611 246.258 274.275 1.00 0.00 C +ATOM 53 CA GLY A 53 251.386 242.548 273.437 1.00 0.00 C +ATOM 54 CA GLY A 54 250.570 241.593 269.840 1.00 0.00 C +ATOM 55 CA PHE A 55 250.560 238.565 267.527 1.00 0.00 C +ATOM 56 CA VAL A 56 253.238 236.531 265.737 1.00 0.00 C +ATOM 57 CA PRO A 57 255.705 236.133 262.860 1.00 0.00 C +ATOM 58 CA SER A 58 256.771 232.881 261.187 1.00 0.00 C +ATOM 59 CA MET A 59 257.004 231.456 257.661 1.00 0.00 C +ATOM 60 CA GLN A 60 258.435 228.119 256.508 1.00 0.00 C +ATOM 61 CA GLY A 61 257.741 226.103 253.351 1.00 0.00 C +ATOM 62 CA VAL A 62 255.003 227.968 251.470 1.00 0.00 C +ATOM 63 CA PRO A 63 253.709 228.809 247.986 1.00 0.00 C +ATOM 64 CA GLU A 64 252.330 231.301 245.456 1.00 0.00 C +ATOM 65 CA SER A 65 253.223 233.314 242.347 1.00 0.00 C +ATOM 66 CA PRO A 66 255.353 232.959 239.208 1.00 0.00 C +ATOM 67 CA PHE A 67 258.380 230.661 239.479 1.00 0.00 C +ATOM 68 CA SER A 68 261.884 232.112 239.843 1.00 0.00 C +ATOM 69 CA MET A 69 262.620 233.757 236.487 1.00 0.00 C +ATOM 70 CA THR A 70 263.608 237.392 237.064 1.00 0.00 C +ATOM 71 CA GLY A 71 264.868 240.004 234.594 1.00 0.00 C +ATOM 72 CA GLU A 72 267.863 242.203 233.750 1.00 0.00 C +ATOM 73 CA GLY A 73 270.389 243.915 236.033 1.00 0.00 C +ATOM 74 CA LEU A 74 273.836 242.443 236.716 1.00 0.00 C +ATOM 75 CA ASP A 75 274.732 238.918 235.579 1.00 0.00 C +ATOM 76 CA ILE A 76 278.381 237.824 235.513 1.00 0.00 C +ATOM 77 CA ARG A 77 280.177 237.877 232.153 1.00 0.00 C +ATOM 78 CA GLY A 78 278.700 236.938 228.769 1.00 0.00 C +ATOM 79 CA ASN A 79 274.932 237.181 228.259 1.00 0.00 C +ATOM 80 CA ARG A 80 272.494 237.835 225.405 1.00 0.00 C +ATOM 81 CA GLY A 81 268.689 237.639 225.397 1.00 0.00 C +ATOM 82 CA PHE A 82 267.698 233.987 224.957 1.00 0.00 C +ATOM 83 CA PRO A 83 269.438 232.853 221.763 1.00 0.00 C +TER 84 PRO A 83 +END diff --git a/Viruses/Q33CW2/Q33CW2.dcd b/Viruses/Q33CW2/Q33CW2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..91b5148dcf0c269c7f45136dcc051f15688fd0a8 --- /dev/null +++ b/Viruses/Q33CW2/Q33CW2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:25ef35f7e6d36f93e5773a4104b3c33b640151afcb5b362f6d4101dafa2d25a8 +size 10760276 diff --git a/Viruses/Q33CW2/top.pdb b/Viruses/Q33CW2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..57738a0e794db35ab88f6c182a67e5dddb7bd6eb --- /dev/null +++ b/Viruses/Q33CW2/top.pdb @@ -0,0 +1,87 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ARG A 1 204.796 243.852 218.524 1.00 0.00 C +ATOM 2 CA GLN A 2 208.237 243.230 217.011 1.00 0.00 C +ATOM 3 CA PRO A 3 211.966 243.806 216.481 1.00 0.00 C +ATOM 4 CA ASN A 4 215.040 245.704 217.689 1.00 0.00 C +ATOM 5 CA ALA A 5 217.068 246.959 220.661 1.00 0.00 C +ATOM 6 CA GLY A 6 220.638 248.259 220.383 1.00 0.00 C +ATOM 7 CA GLY A 7 222.127 248.180 223.889 1.00 0.00 C +ATOM 8 CA LYS A 8 225.441 247.643 225.692 1.00 0.00 C +ATOM 9 CA SER A 9 225.973 250.363 228.305 1.00 0.00 C +ATOM 10 CA LEU A 10 226.699 251.956 231.690 1.00 0.00 C +ATOM 11 CA SER A 11 229.304 252.798 234.339 1.00 0.00 C +ATOM 12 CA ARG A 12 229.689 250.391 237.267 1.00 0.00 C +ATOM 13 CA GLU A 13 231.125 250.003 240.775 1.00 0.00 C +ATOM 14 CA GLU A 14 229.132 249.525 243.986 1.00 0.00 C +ATOM 15 CA GLU A 15 231.362 250.211 246.998 1.00 0.00 C +ATOM 16 CA GLY A 16 232.044 247.094 249.081 1.00 0.00 C +ATOM 17 CA GLU A 17 234.433 247.288 252.042 1.00 0.00 C +ATOM 18 CA LEU A 18 235.558 246.220 255.522 1.00 0.00 C +ATOM 19 CA LYS A 19 239.112 247.329 256.334 1.00 0.00 C +ATOM 20 CA ARG A 20 242.817 247.927 256.991 1.00 0.00 C +ATOM 21 CA PRO A 21 245.430 250.481 255.910 1.00 0.00 C +ATOM 22 CA THR A 22 246.969 251.014 252.466 1.00 0.00 C +ATOM 23 CA GLU A 23 249.985 250.585 250.178 1.00 0.00 C +ATOM 24 CA GLU A 24 252.483 252.648 248.173 1.00 0.00 C +ATOM 25 CA ASP A 25 252.456 254.265 244.723 1.00 0.00 C +ATOM 26 CA GLU A 26 251.026 257.207 242.769 1.00 0.00 C +ATOM 27 CA ARG A 27 250.854 256.088 239.131 1.00 0.00 C +ATOM 28 CA ARG A 28 250.641 254.782 235.558 1.00 0.00 C +ATOM 29 CA GLU A 29 253.573 253.036 233.863 1.00 0.00 C +ATOM 30 CA ARG A 30 257.039 251.918 234.981 1.00 0.00 C +ATOM 31 CA ARG A 31 260.077 249.683 235.523 1.00 0.00 C +ATOM 32 CA VAL A 32 262.539 247.376 233.753 1.00 0.00 C +ATOM 33 CA ALA A 33 263.335 243.862 234.992 1.00 0.00 C +ATOM 34 CA GLY A 34 263.877 241.687 238.072 1.00 0.00 C +ATOM 35 CA PRO A 35 264.743 239.104 240.735 1.00 0.00 C +ATOM 36 CA PRO A 36 265.517 237.555 244.129 1.00 0.00 C +ATOM 37 CA PRO A 37 266.963 237.200 247.636 1.00 0.00 C +ATOM 38 CA GLY A 38 264.910 237.722 250.803 1.00 0.00 C +ATOM 39 CA GLY A 39 261.312 238.670 249.983 1.00 0.00 C +ATOM 40 CA VAL A 40 259.647 240.993 247.464 1.00 0.00 C +ATOM 41 CA ASN A 41 258.958 241.527 243.755 1.00 0.00 C +ATOM 42 CA PRO A 42 257.072 241.984 240.476 1.00 0.00 C +ATOM 43 CA LEU A 43 253.537 240.945 239.507 1.00 0.00 C +ATOM 44 CA GLU A 44 250.013 239.758 240.338 1.00 0.00 C +ATOM 45 CA GLY A 45 249.346 241.084 243.847 1.00 0.00 C +ATOM 46 CA GLY A 46 250.506 240.770 247.463 1.00 0.00 C +ATOM 47 CA SER A 47 247.979 241.696 250.159 1.00 0.00 C +ATOM 48 CA ARG A 48 247.408 244.608 252.549 1.00 0.00 C +ATOM 49 CA GLY A 49 248.735 244.244 256.102 1.00 0.00 C +ATOM 50 CA ALA A 50 247.903 243.673 259.776 1.00 0.00 C +ATOM 51 CA PRO A 51 248.227 241.608 262.961 1.00 0.00 C +ATOM 52 CA GLY A 52 251.607 241.546 264.719 1.00 0.00 C +ATOM 53 CA GLY A 53 253.187 243.406 267.644 1.00 0.00 C +ATOM 54 CA GLY A 54 254.264 246.643 269.341 1.00 0.00 C +ATOM 55 CA LEU A 55 255.734 250.116 269.878 1.00 0.00 C +ATOM 56 CA VAL A 56 256.932 252.306 266.999 1.00 0.00 C +ATOM 57 CA PRO A 57 256.849 255.988 267.976 1.00 0.00 C +ATOM 58 CA SER A 58 256.830 255.956 271.785 1.00 0.00 C +ATOM 59 CA MET A 59 257.045 256.584 275.537 1.00 0.00 C +ATOM 60 CA GLN A 60 255.839 256.713 279.149 1.00 0.00 C +ATOM 61 CA GLY A 61 255.986 260.108 280.873 1.00 0.00 C +ATOM 62 CA VAL A 62 258.242 262.823 279.439 1.00 0.00 C +ATOM 63 CA PRO A 63 260.603 262.822 276.449 1.00 0.00 C +ATOM 64 CA GLU A 64 263.843 264.799 276.119 1.00 0.00 C +ATOM 65 CA SER A 65 263.976 267.646 273.591 1.00 0.00 C +ATOM 66 CA PRO A 66 261.260 268.116 270.961 1.00 0.00 C +ATOM 67 CA LEU A 67 261.315 265.561 268.134 1.00 0.00 C +ATOM 68 CA THR A 68 260.787 265.761 264.367 1.00 0.00 C +ATOM 69 CA ARG A 69 261.490 266.355 260.670 1.00 0.00 C +ATOM 70 CA THR A 70 264.083 265.031 258.212 1.00 0.00 C +ATOM 71 CA GLY A 71 263.381 262.516 255.438 1.00 0.00 C +ATOM 72 CA GLU A 72 265.720 259.720 254.330 1.00 0.00 C +ATOM 73 CA GLY A 73 265.695 256.834 256.818 1.00 0.00 C +ATOM 74 CA LEU A 74 263.233 257.358 259.678 1.00 0.00 C +ATOM 75 CA ASP A 75 260.252 255.375 260.981 1.00 0.00 C +ATOM 76 CA ILE A 76 259.211 251.788 260.228 1.00 0.00 C +ATOM 77 CA GLY A 77 261.900 249.723 258.490 1.00 0.00 C +ATOM 78 CA GLY A 78 265.349 248.277 259.215 1.00 0.00 C +ATOM 79 CA SER A 79 265.949 245.343 256.858 1.00 0.00 C +ATOM 80 CA GLN A 80 263.666 245.773 253.838 1.00 0.00 C +ATOM 81 CA GLY A 81 263.901 246.583 250.122 1.00 0.00 C +ATOM 82 CA ILE A 82 262.768 246.464 246.487 1.00 0.00 C +ATOM 83 CA PRO A 83 263.486 249.456 244.239 1.00 0.00 C +TER 84 PRO A 83 +END diff --git a/Viruses/Q33CX7/Q33CX7.dcd b/Viruses/Q33CX7/Q33CX7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c49b8d4b1ae704395c17b6e719d4b35b7dc3f8bc --- /dev/null +++ b/Viruses/Q33CX7/Q33CX7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:514fe96c62cfe57efdad34c44b90501dbe1eb7fc748a6427bf002c4a3743c743 +size 13040276 diff --git a/Viruses/Q33CX7/top.pdb b/Viruses/Q33CX7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..93cfe74893d8bbe205ebccb822229b650b540236 --- /dev/null +++ b/Viruses/Q33CX7/top.pdb @@ -0,0 +1,106 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LYS A 1 200.104 242.051 247.425 1.00 0.00 C +ATOM 2 CA GLN A 2 197.751 239.114 248.022 1.00 0.00 C +ATOM 3 CA PRO A 3 196.812 239.047 251.714 1.00 0.00 C +ATOM 4 CA SER A 4 194.392 236.138 252.158 1.00 0.00 C +ATOM 5 CA SER A 5 193.902 235.565 255.892 1.00 0.00 C +ATOM 6 CA GLY A 6 196.091 236.779 258.765 1.00 0.00 C +ATOM 7 CA GLY A 7 198.080 239.636 260.314 1.00 0.00 C +ATOM 8 CA LYS A 8 200.996 239.967 262.743 1.00 0.00 C +ATOM 9 CA SER A 9 203.013 243.112 261.995 1.00 0.00 C +ATOM 10 CA LEU A 10 203.883 243.327 258.292 1.00 0.00 C +ATOM 11 CA SER A 11 207.072 241.692 257.000 1.00 0.00 C +ATOM 12 CA ARG A 12 210.337 239.860 257.709 1.00 0.00 C +ATOM 13 CA GLU A 13 213.606 241.431 256.542 1.00 0.00 C +ATOM 14 CA GLU A 14 216.627 240.119 254.627 1.00 0.00 C +ATOM 15 CA GLU A 15 218.085 236.599 254.602 1.00 0.00 C +ATOM 16 CA GLY A 16 218.977 232.897 254.708 1.00 0.00 C +ATOM 17 CA GLU A 17 218.526 229.961 252.322 1.00 0.00 C +ATOM 18 CA LEU A 18 218.507 226.683 250.380 1.00 0.00 C +ATOM 19 CA LYS A 19 221.537 224.528 249.550 1.00 0.00 C +ATOM 20 CA ARG A 20 221.924 221.640 247.096 1.00 0.00 C +ATOM 21 CA LEU A 21 224.660 219.022 247.514 1.00 0.00 C +ATOM 22 CA THR A 22 227.229 218.517 250.282 1.00 0.00 C +ATOM 23 CA GLU A 23 228.399 221.491 252.355 1.00 0.00 C +ATOM 24 CA GLU A 24 228.302 221.145 256.148 1.00 0.00 C +ATOM 25 CA ASP A 25 229.028 222.862 259.471 1.00 0.00 C +ATOM 26 CA GLU A 26 232.270 222.469 261.434 1.00 0.00 C +ATOM 27 CA ARG A 27 235.642 220.697 261.519 1.00 0.00 C +ATOM 28 CA ARG A 28 237.454 217.346 261.519 1.00 0.00 C +ATOM 29 CA LYS A 29 241.183 217.455 260.743 1.00 0.00 C +ATOM 30 CA ARG A 30 242.104 215.694 257.493 1.00 0.00 C +ATOM 31 CA ARG A 31 243.634 216.616 254.127 1.00 0.00 C +ATOM 32 CA ILE A 32 241.828 219.578 252.552 1.00 0.00 C +ATOM 33 CA ALA A 33 239.486 221.640 250.365 1.00 0.00 C +ATOM 34 CA GLY A 34 236.960 220.112 247.956 1.00 0.00 C +ATOM 35 CA PRO A 35 233.610 221.609 248.984 1.00 0.00 C +ATOM 36 CA PRO A 36 232.653 225.051 247.661 1.00 0.00 C +ATOM 37 CA VAL A 37 234.653 227.380 245.404 1.00 0.00 C +ATOM 38 CA GLY A 38 238.351 226.488 245.191 1.00 0.00 C +ATOM 39 CA GLY A 39 241.663 227.863 243.902 1.00 0.00 C +ATOM 40 CA VAL A 40 241.493 230.526 241.183 1.00 0.00 C +ATOM 41 CA ASN A 41 240.307 234.096 240.578 1.00 0.00 C +ATOM 42 CA PRO A 42 241.376 236.533 237.851 1.00 0.00 C +ATOM 43 CA LEU A 43 241.580 234.795 234.466 1.00 0.00 C +ATOM 44 CA GLU A 44 244.407 236.298 232.401 1.00 0.00 C +ATOM 45 CA GLY A 45 246.763 238.022 234.849 1.00 0.00 C +ATOM 46 CA ASP A 46 250.101 239.822 235.214 1.00 0.00 C +ATOM 47 CA ALA A 47 253.051 242.156 234.609 1.00 0.00 C +ATOM 48 CA ARG A 48 255.016 244.613 236.758 1.00 0.00 C +ATOM 49 CA GLY A 49 255.790 248.023 238.271 1.00 0.00 C +ATOM 50 CA ALA A 50 254.161 249.748 241.251 1.00 0.00 C +ATOM 51 CA PRO A 51 254.146 252.231 244.141 1.00 0.00 C +ATOM 52 CA GLY A 52 252.038 251.705 247.270 1.00 0.00 C +ATOM 53 CA GLY A 53 253.505 252.750 250.628 1.00 0.00 C +ATOM 54 CA GLY A 54 254.572 255.684 252.812 1.00 0.00 C +ATOM 55 CA PHE A 55 251.998 256.185 255.577 1.00 0.00 C +ATOM 56 CA VAL A 56 248.962 258.092 254.287 1.00 0.00 C +ATOM 57 CA PRO A 57 246.488 260.066 252.166 1.00 0.00 C +ATOM 58 CA ASN A 58 246.984 263.726 253.102 1.00 0.00 C +ATOM 59 CA MET A 59 245.805 267.168 254.232 1.00 0.00 C +ATOM 60 CA GLN A 60 245.032 270.320 256.229 1.00 0.00 C +ATOM 61 CA GLY A 61 247.542 270.403 259.094 1.00 0.00 C +ATOM 62 CA VAL A 62 250.049 272.638 260.893 1.00 0.00 C +ATOM 63 CA PRO A 63 249.965 274.374 264.283 1.00 0.00 C +ATOM 64 CA GLY A 64 249.331 276.005 267.668 1.00 0.00 C +ATOM 65 CA SER A 65 248.579 279.713 267.220 1.00 0.00 C +ATOM 66 CA PRO A 66 248.715 283.345 266.078 1.00 0.00 C +ATOM 67 CA PHE A 67 251.007 283.743 263.061 1.00 0.00 C +ATOM 68 CA ILE A 68 253.622 281.073 262.323 1.00 0.00 C +ATOM 69 CA ARG A 69 253.926 279.442 258.893 1.00 0.00 C +ATOM 70 CA THR A 70 252.883 277.774 255.630 1.00 0.00 C +ATOM 71 CA GLY A 71 252.046 277.512 251.922 1.00 0.00 C +ATOM 72 CA GLY A 72 254.628 279.427 249.878 1.00 0.00 C +ATOM 73 CA GLY A 73 257.856 277.577 249.058 1.00 0.00 C +ATOM 74 CA LEU A 74 261.343 278.054 247.600 1.00 0.00 C +ATOM 75 CA ASP A 75 264.223 280.542 247.775 1.00 0.00 C +ATOM 76 CA THR A 76 267.452 278.707 246.924 1.00 0.00 C +ATOM 77 CA ARG A 77 270.702 280.429 247.919 1.00 0.00 C +ATOM 78 CA GLY A 78 273.672 278.232 248.852 1.00 0.00 C +ATOM 79 CA THR A 79 275.595 275.028 248.109 1.00 0.00 C +ATOM 80 CA GLN A 80 278.551 274.325 245.810 1.00 0.00 C +ATOM 81 CA GLY A 81 281.390 271.917 246.618 1.00 0.00 C +ATOM 82 CA PHE A 82 285.106 271.232 246.131 1.00 0.00 C +ATOM 83 CA PRO A 83 285.522 270.832 242.365 1.00 0.00 C +ATOM 84 CA TRP A 84 288.915 270.251 240.733 1.00 0.00 C +ATOM 85 CA ASP A 85 290.665 269.890 237.368 1.00 0.00 C +ATOM 86 CA THR A 86 292.586 267.259 235.392 1.00 0.00 C +ATOM 87 CA LEU A 87 293.025 263.678 236.615 1.00 0.00 C +ATOM 88 CA LEU A 88 291.728 260.858 238.824 1.00 0.00 C +ATOM 89 CA PRO A 89 289.689 257.706 239.475 1.00 0.00 C +ATOM 90 CA SER A 90 288.969 255.159 242.215 1.00 0.00 C +ATOM 91 CA ASP A 91 292.255 253.685 243.458 1.00 0.00 C +ATOM 92 CA PRO A 92 293.315 254.306 247.064 1.00 0.00 C +ATOM 93 CA PRO A 93 297.105 254.678 246.968 1.00 0.00 C +ATOM 94 CA PHE A 94 300.697 255.054 245.753 1.00 0.00 C +ATOM 95 CA SER A 95 303.490 255.410 243.186 1.00 0.00 C +ATOM 96 CA PRO A 96 303.456 258.841 241.531 1.00 0.00 C +ATOM 97 CA GLN A 97 302.311 261.986 243.351 1.00 0.00 C +ATOM 98 CA SER A 98 302.689 261.273 247.074 1.00 0.00 C +ATOM 99 CA CYS A 99 301.249 262.965 250.169 1.00 0.00 C +ATOM 100 CA ARG A 100 302.484 266.552 250.519 1.00 0.00 C +ATOM 101 CA THR A 101 304.607 269.477 251.725 1.00 0.00 C +ATOM 102 CA GLN A 102 304.156 272.905 250.124 1.00 0.00 C +TER 103 GLN A 102 +END diff --git a/Viruses/Q33CX8/Q33CX8.dcd b/Viruses/Q33CX8/Q33CX8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..52bba3766dca2082ef108c5c306dffa4ae95ac2b --- /dev/null +++ b/Viruses/Q33CX8/Q33CX8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:95bd436d18649705e8c807926065caacf43a8a72fa4d518de9099ea65f43fb73 +size 10760276 diff --git a/Viruses/Q33CX8/top.pdb b/Viruses/Q33CX8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..78f8f9742216356b8f00faead80b4ef914ed9b9b --- /dev/null +++ b/Viruses/Q33CX8/top.pdb @@ -0,0 +1,87 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LYS A 1 281.128 238.091 253.649 1.00 0.00 C +ATOM 2 CA GLN A 2 284.586 239.688 253.585 1.00 0.00 C +ATOM 3 CA LEU A 3 285.535 240.639 250.020 1.00 0.00 C +ATOM 4 CA THR A 4 285.181 244.384 249.417 1.00 0.00 C +ATOM 5 CA SER A 5 284.184 247.976 250.207 1.00 0.00 C +ATOM 6 CA GLY A 6 281.529 250.360 248.872 1.00 0.00 C +ATOM 7 CA GLY A 7 280.256 250.732 245.300 1.00 0.00 C +ATOM 8 CA LYS A 8 278.870 249.171 242.113 1.00 0.00 C +ATOM 9 CA SER A 9 275.461 247.581 241.506 1.00 0.00 C +ATOM 10 CA LEU A 10 274.530 243.923 242.022 1.00 0.00 C +ATOM 11 CA SER A 11 273.004 242.372 238.894 1.00 0.00 C +ATOM 12 CA ARG A 12 269.233 242.113 238.418 1.00 0.00 C +ATOM 13 CA GLU A 13 267.725 240.088 241.272 1.00 0.00 C +ATOM 14 CA GLU A 14 265.802 237.111 239.872 1.00 0.00 C +ATOM 15 CA GLU A 15 262.092 236.274 240.091 1.00 0.00 C +ATOM 16 CA GLU A 16 258.559 236.750 241.436 1.00 0.00 C +ATOM 17 CA GLU A 17 255.212 237.460 239.760 1.00 0.00 C +ATOM 18 CA LEU A 18 254.504 235.861 236.375 1.00 0.00 C +ATOM 19 CA LYS A 19 251.325 233.765 236.496 1.00 0.00 C +ATOM 20 CA ARG A 20 247.808 233.457 237.928 1.00 0.00 C +ATOM 21 CA LEU A 21 245.959 236.102 239.955 1.00 0.00 C +ATOM 22 CA THR A 22 245.241 238.567 242.769 1.00 0.00 C +ATOM 23 CA GLU A 23 244.592 239.972 246.251 1.00 0.00 C +ATOM 24 CA ASP A 24 246.670 241.270 249.170 1.00 0.00 C +ATOM 25 CA ASP A 25 250.092 242.940 249.272 1.00 0.00 C +ATOM 26 CA GLU A 26 253.378 244.377 250.558 1.00 0.00 C +ATOM 27 CA LYS A 27 255.879 244.372 247.684 1.00 0.00 C +ATOM 28 CA ARG A 28 255.484 244.118 243.903 1.00 0.00 C +ATOM 29 CA LYS A 29 252.447 243.366 241.729 1.00 0.00 C +ATOM 30 CA ARG A 30 251.645 245.865 238.967 1.00 0.00 C +ATOM 31 CA ARG A 31 247.846 246.101 238.821 1.00 0.00 C +ATOM 32 CA ILE A 32 244.270 247.414 238.721 1.00 0.00 C +ATOM 33 CA ALA A 33 242.516 250.280 240.517 1.00 0.00 C +ATOM 34 CA GLY A 34 240.242 253.167 239.513 1.00 0.00 C +ATOM 35 CA PRO A 35 240.104 256.485 241.381 1.00 0.00 C +ATOM 36 CA SER A 36 243.382 257.693 242.901 1.00 0.00 C +ATOM 37 CA VAL A 37 246.680 257.743 240.993 1.00 0.00 C +ATOM 38 CA GLY A 38 250.320 256.651 241.255 1.00 0.00 C +ATOM 39 CA GLY A 39 253.980 257.683 241.025 1.00 0.00 C +ATOM 40 CA VAL A 40 256.483 258.338 243.821 1.00 0.00 C +ATOM 41 CA ASN A 41 255.925 259.365 247.447 1.00 0.00 C +ATOM 42 CA PRO A 42 252.856 260.501 249.400 1.00 0.00 C +ATOM 43 CA LEU A 43 250.623 258.178 251.432 1.00 0.00 C +ATOM 44 CA GLU A 44 247.449 256.895 253.106 1.00 0.00 C +ATOM 45 CA GLY A 45 244.618 254.438 253.788 1.00 0.00 C +ATOM 46 CA VAL A 46 240.920 255.269 254.182 1.00 0.00 C +ATOM 47 CA ALA A 47 237.123 255.300 254.494 1.00 0.00 C +ATOM 48 CA ARG A 48 234.388 253.318 252.732 1.00 0.00 C +ATOM 49 CA GLY A 49 230.867 254.693 252.257 1.00 0.00 C +ATOM 50 CA ALA A 50 228.411 256.754 254.317 1.00 0.00 C +ATOM 51 CA PRO A 51 228.679 257.429 258.057 1.00 0.00 C +ATOM 52 CA GLY A 52 226.453 259.006 260.717 1.00 0.00 C +ATOM 53 CA GLY A 53 227.550 257.985 264.220 1.00 0.00 C +ATOM 54 CA GLY A 54 229.865 254.965 264.036 1.00 0.00 C +ATOM 55 CA PHE A 55 231.871 252.697 266.349 1.00 0.00 C +ATOM 56 CA VAL A 56 235.404 251.364 266.858 1.00 0.00 C +ATOM 57 CA PRO A 57 238.405 253.212 265.411 1.00 0.00 C +ATOM 58 CA ASP A 58 238.482 252.850 261.619 1.00 0.00 C +ATOM 59 CA MET A 59 240.445 250.310 259.567 1.00 0.00 C +ATOM 60 CA GLN A 60 242.041 246.858 259.795 1.00 0.00 C +ATOM 61 CA GLY A 61 243.876 245.546 256.725 1.00 0.00 C +ATOM 62 CA VAL A 62 247.479 244.346 257.041 1.00 0.00 C +ATOM 63 CA PRO A 63 250.022 246.384 259.015 1.00 0.00 C +ATOM 64 CA GLU A 64 253.146 248.322 260.015 1.00 0.00 C +ATOM 65 CA SER A 65 254.250 250.313 256.960 1.00 0.00 C +ATOM 66 CA PRO A 66 253.335 252.590 254.046 1.00 0.00 C +ATOM 67 CA PHE A 67 253.015 251.876 250.317 1.00 0.00 C +ATOM 68 CA SER A 68 254.108 250.180 247.085 1.00 0.00 C +ATOM 69 CA ARG A 69 251.104 249.371 244.886 1.00 0.00 C +ATOM 70 CA THR A 70 247.997 251.274 246.002 1.00 0.00 C +ATOM 71 CA GLY A 71 244.434 250.763 247.249 1.00 0.00 C +ATOM 72 CA GLY A 72 242.166 253.613 248.370 1.00 0.00 C +ATOM 73 CA GLY A 73 238.737 254.630 247.058 1.00 0.00 C +ATOM 74 CA LEU A 74 236.978 257.892 247.942 1.00 0.00 C +ATOM 75 CA ASP A 75 237.381 261.425 249.311 1.00 0.00 C +ATOM 76 CA THR A 76 238.130 263.716 252.262 1.00 0.00 C +ATOM 77 CA ARG A 77 239.410 262.346 255.578 1.00 0.00 C +ATOM 78 CA GLY A 78 239.306 264.216 258.896 1.00 0.00 C +ATOM 79 CA THR A 79 238.833 262.237 262.117 1.00 0.00 C +ATOM 80 CA GLN A 80 236.884 262.547 265.376 1.00 0.00 C +ATOM 81 CA GLY A 81 234.430 259.661 265.784 1.00 0.00 C +ATOM 82 CA PHE A 82 235.139 258.196 269.228 1.00 0.00 C +ATOM 83 CA PRO A 83 233.729 256.870 272.510 1.00 0.00 C +TER 84 PRO A 83 +END diff --git a/Viruses/Q33CZ4/Q33CZ4.dcd b/Viruses/Q33CZ4/Q33CZ4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b24ba436089bc30a00655fa1386cabcb6132b18e --- /dev/null +++ b/Viruses/Q33CZ4/Q33CZ4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2f8cffcad27695ce608c2e8d0eccd5c9deaf29870e45a5319bf2b2d49b144d28 +size 10760276 diff --git a/Viruses/Q33CZ4/top.pdb b/Viruses/Q33CZ4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1d40a563b50cc08c34de1764833fb79eab87ed33 --- /dev/null +++ b/Viruses/Q33CZ4/top.pdb @@ -0,0 +1,87 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LYS A 1 282.004 233.650 289.895 1.00 0.00 C +ATOM 2 CA GLN A 2 279.558 232.743 287.118 1.00 0.00 C +ATOM 3 CA LEU A 3 275.874 232.498 286.177 1.00 0.00 C +ATOM 4 CA ALA A 4 273.692 232.629 283.057 1.00 0.00 C +ATOM 5 CA ALA A 5 275.610 231.492 279.968 1.00 0.00 C +ATOM 6 CA GLY A 6 279.311 232.189 280.543 1.00 0.00 C +ATOM 7 CA GLY A 7 281.336 235.047 279.045 1.00 0.00 C +ATOM 8 CA LYS A 8 283.551 235.298 275.955 1.00 0.00 C +ATOM 9 CA SER A 9 283.113 236.112 272.259 1.00 0.00 C +ATOM 10 CA LEU A 10 284.301 238.407 269.460 1.00 0.00 C +ATOM 11 CA SER A 11 285.044 240.314 266.246 1.00 0.00 C +ATOM 12 CA ARG A 12 284.685 241.576 262.669 1.00 0.00 C +ATOM 13 CA GLU A 13 284.463 245.368 262.371 1.00 0.00 C +ATOM 14 CA GLU A 14 282.030 247.286 264.589 1.00 0.00 C +ATOM 15 CA GLU A 15 279.124 246.641 266.967 1.00 0.00 C +ATOM 16 CA GLY A 16 277.986 243.086 267.732 1.00 0.00 C +ATOM 17 CA GLU A 17 278.170 240.012 265.489 1.00 0.00 C +ATOM 18 CA LEU A 18 275.403 240.326 262.890 1.00 0.00 C +ATOM 19 CA LYS A 19 273.685 236.929 262.746 1.00 0.00 C +ATOM 20 CA ARG A 20 271.701 236.880 259.493 1.00 0.00 C +ATOM 21 CA LEU A 21 269.469 239.339 257.627 1.00 0.00 C +ATOM 22 CA THR A 22 269.306 242.666 255.776 1.00 0.00 C +ATOM 23 CA GLU A 23 266.702 243.449 253.108 1.00 0.00 C +ATOM 24 CA GLU A 24 265.828 243.026 249.424 1.00 0.00 C +ATOM 25 CA ASP A 25 266.315 243.654 245.698 1.00 0.00 C +ATOM 26 CA GLU A 26 262.929 243.810 243.959 1.00 0.00 C +ATOM 27 CA ARG A 27 262.573 247.076 242.029 1.00 0.00 C +ATOM 28 CA ARG A 28 262.521 246.907 238.223 1.00 0.00 C +ATOM 29 CA GLU A 29 261.031 245.019 235.269 1.00 0.00 C +ATOM 30 CA ARG A 30 257.328 244.219 234.864 1.00 0.00 C +ATOM 31 CA ARG A 31 254.615 244.496 232.202 1.00 0.00 C +ATOM 32 CA THR A 32 254.278 242.362 229.064 1.00 0.00 C +ATOM 33 CA ALA A 33 250.634 241.250 229.091 1.00 0.00 C +ATOM 34 CA GLY A 34 250.539 238.331 231.538 1.00 0.00 C +ATOM 35 CA PRO A 35 248.479 239.032 234.666 1.00 0.00 C +ATOM 36 CA ARG A 36 247.231 242.488 235.670 1.00 0.00 C +ATOM 37 CA VAL A 37 245.062 245.617 235.525 1.00 0.00 C +ATOM 38 CA GLY A 38 244.817 249.419 235.552 1.00 0.00 C +ATOM 39 CA GLY A 39 243.131 251.580 238.199 1.00 0.00 C +ATOM 40 CA VAL A 40 243.125 251.095 241.978 1.00 0.00 C +ATOM 41 CA ASN A 41 240.633 249.994 244.642 1.00 0.00 C +ATOM 42 CA PRO A 42 241.379 250.549 248.337 1.00 0.00 C +ATOM 43 CA LEU A 43 242.250 254.065 249.516 1.00 0.00 C +ATOM 44 CA GLU A 44 243.207 253.837 253.197 1.00 0.00 C +ATOM 45 CA GLY A 45 244.363 257.022 254.939 1.00 0.00 C +ATOM 46 CA GLY A 46 245.304 260.148 256.903 1.00 0.00 C +ATOM 47 CA PRO A 47 247.717 262.143 254.733 1.00 0.00 C +ATOM 48 CA ARG A 48 247.073 263.579 251.264 1.00 0.00 C +ATOM 49 CA GLY A 49 247.124 262.005 247.794 1.00 0.00 C +ATOM 50 CA ALA A 50 244.807 259.581 245.985 1.00 0.00 C +ATOM 51 CA PRO A 51 244.032 260.046 242.284 1.00 0.00 C +ATOM 52 CA GLY A 52 242.806 260.850 238.767 1.00 0.00 C +ATOM 53 CA GLY A 53 244.823 263.181 236.528 1.00 0.00 C +ATOM 54 CA GLY A 54 244.267 266.881 235.809 1.00 0.00 C +ATOM 55 CA PHE A 55 243.198 269.511 233.268 1.00 0.00 C +ATOM 56 CA VAL A 56 242.044 269.046 229.667 1.00 0.00 C +ATOM 57 CA PRO A 57 239.346 270.183 227.229 1.00 0.00 C +ATOM 58 CA SER A 58 235.593 270.651 227.688 1.00 0.00 C +ATOM 59 CA MET A 59 231.909 269.750 228.053 1.00 0.00 C +ATOM 60 CA GLN A 60 229.046 269.429 230.547 1.00 0.00 C +ATOM 61 CA GLY A 61 225.239 269.295 230.535 1.00 0.00 C +ATOM 62 CA ILE A 62 223.326 269.279 227.241 1.00 0.00 C +ATOM 63 CA PRO A 63 220.654 266.564 227.169 1.00 0.00 C +ATOM 64 CA GLU A 64 220.114 265.397 230.755 1.00 0.00 C +ATOM 65 CA SER A 65 220.625 267.358 233.982 1.00 0.00 C +ATOM 66 CA PRO A 66 222.421 267.525 237.338 1.00 0.00 C +ATOM 67 CA PHE A 67 223.109 263.942 238.437 1.00 0.00 C +ATOM 68 CA SER A 68 225.851 261.414 239.217 1.00 0.00 C +ATOM 69 CA ARG A 69 225.076 259.980 242.661 1.00 0.00 C +ATOM 70 CA THR A 70 226.766 261.450 245.742 1.00 0.00 C +ATOM 71 CA GLY A 71 228.590 258.904 247.912 1.00 0.00 C +ATOM 72 CA ASP A 72 227.550 255.239 247.835 1.00 0.00 C +ATOM 73 CA GLY A 73 224.214 255.082 249.668 1.00 0.00 C +ATOM 74 CA LEU A 74 222.991 254.196 253.166 1.00 0.00 C +ATOM 75 CA ASP A 75 225.919 252.446 254.863 1.00 0.00 C +ATOM 76 CA THR A 76 229.099 252.819 256.929 1.00 0.00 C +ATOM 77 CA ARG A 77 231.171 250.024 258.481 1.00 0.00 C +ATOM 78 CA GLY A 78 229.245 246.852 257.617 1.00 0.00 C +ATOM 79 CA THR A 79 229.066 243.384 256.049 1.00 0.00 C +ATOM 80 CA GLN A 80 229.495 239.599 256.056 1.00 0.00 C +ATOM 81 CA GLY A 81 228.591 235.924 256.497 1.00 0.00 C +ATOM 82 CA PHE A 82 225.871 234.407 258.692 1.00 0.00 C +ATOM 83 CA PRO A 83 227.541 233.150 261.878 1.00 0.00 C +TER 84 PRO A 83 +END diff --git a/Viruses/Q33D00/Q33D00.dcd b/Viruses/Q33D00/Q33D00.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b7cb6cbd64f58337800a9224966794e3819ca76a --- /dev/null +++ b/Viruses/Q33D00/Q33D00.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:24a225ce982728b03dd70367cde276ddc95be85a1c611c83cba52847e19a1000 +size 10760276 diff --git a/Viruses/Q33D00/top.pdb b/Viruses/Q33D00/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..6f55ff0ea8ec64ed51636bee9cc2fc3306238b6b --- /dev/null +++ b/Viruses/Q33D00/top.pdb @@ -0,0 +1,87 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LYS A 1 248.263 222.971 229.325 1.00 0.00 C +ATOM 2 CA GLN A 2 247.773 225.262 232.329 1.00 0.00 C +ATOM 3 CA LEU A 3 244.474 226.414 233.849 1.00 0.00 C +ATOM 4 CA THR A 4 241.530 228.803 234.218 1.00 0.00 C +ATOM 5 CA ALA A 5 241.506 232.354 232.838 1.00 0.00 C +ATOM 6 CA GLY A 6 244.627 233.077 230.775 1.00 0.00 C +ATOM 7 CA GLY A 7 245.255 236.816 230.402 1.00 0.00 C +ATOM 8 CA LYS A 8 243.903 240.037 228.880 1.00 0.00 C +ATOM 9 CA LYS A 9 242.986 242.974 226.633 1.00 0.00 C +ATOM 10 CA LEU A 10 241.068 241.837 223.543 1.00 0.00 C +ATOM 11 CA SER A 11 241.409 243.808 220.300 1.00 0.00 C +ATOM 12 CA LYS A 12 242.052 243.952 216.548 1.00 0.00 C +ATOM 13 CA GLU A 13 244.119 240.919 215.527 1.00 0.00 C +ATOM 14 CA GLU A 14 247.560 241.352 217.105 1.00 0.00 C +ATOM 15 CA GLU A 15 249.483 244.358 218.440 1.00 0.00 C +ATOM 16 CA GLU A 16 251.096 247.649 219.481 1.00 0.00 C +ATOM 17 CA GLU A 17 248.835 250.268 221.077 1.00 0.00 C +ATOM 18 CA LEU A 18 248.848 253.234 218.686 1.00 0.00 C +ATOM 19 CA LYS A 19 248.231 256.637 220.284 1.00 0.00 C +ATOM 20 CA ARG A 20 245.472 259.063 219.275 1.00 0.00 C +ATOM 21 CA LEU A 21 242.380 258.154 221.307 1.00 0.00 C +ATOM 22 CA THR A 22 240.398 256.693 224.215 1.00 0.00 C +ATOM 23 CA GLU A 23 241.235 257.513 227.840 1.00 0.00 C +ATOM 24 CA GLU A 24 240.593 257.677 231.592 1.00 0.00 C +ATOM 25 CA ASP A 25 239.485 257.310 235.219 1.00 0.00 C +ATOM 26 CA GLU A 26 236.993 259.639 236.915 1.00 0.00 C +ATOM 27 CA ARG A 27 236.581 263.051 238.561 1.00 0.00 C +ATOM 28 CA ARG A 28 239.719 264.733 239.916 1.00 0.00 C +ATOM 29 CA GLU A 29 241.854 261.970 241.441 1.00 0.00 C +ATOM 30 CA ARG A 30 241.932 259.922 244.652 1.00 0.00 C +ATOM 31 CA ARG A 31 240.193 261.987 247.340 1.00 0.00 C +ATOM 32 CA VAL A 32 241.900 261.747 250.737 1.00 0.00 C +ATOM 33 CA ALA A 33 244.274 258.885 251.566 1.00 0.00 C +ATOM 34 CA GLY A 34 247.712 257.287 251.939 1.00 0.00 C +ATOM 35 CA PRO A 35 249.698 255.210 254.441 1.00 0.00 C +ATOM 36 CA ARG A 36 252.925 254.083 256.123 1.00 0.00 C +ATOM 37 CA VAL A 37 254.772 253.702 259.434 1.00 0.00 C +ATOM 38 CA GLY A 38 258.410 254.398 260.327 1.00 0.00 C +ATOM 39 CA GLY A 39 258.876 254.392 264.109 1.00 0.00 C +ATOM 40 CA VAL A 40 259.794 253.658 267.733 1.00 0.00 C +ATOM 41 CA ASN A 41 258.292 252.660 271.089 1.00 0.00 C +ATOM 42 CA PRO A 42 261.126 251.505 273.359 1.00 0.00 C +ATOM 43 CA LEU A 43 260.849 250.619 277.055 1.00 0.00 C +ATOM 44 CA GLU A 44 262.334 252.784 279.816 1.00 0.00 C +ATOM 45 CA GLY A 45 265.820 254.220 279.268 1.00 0.00 C +ATOM 46 CA GLY A 46 267.747 253.711 276.020 1.00 0.00 C +ATOM 47 CA SER A 47 270.478 252.815 273.520 1.00 0.00 C +ATOM 48 CA ARG A 48 270.704 253.770 269.838 1.00 0.00 C +ATOM 49 CA GLY A 49 268.057 253.447 267.118 1.00 0.00 C +ATOM 50 CA ALA A 50 268.804 250.881 264.402 1.00 0.00 C +ATOM 51 CA PRO A 51 269.503 247.136 264.451 1.00 0.00 C +ATOM 52 CA GLY A 52 269.512 245.821 260.876 1.00 0.00 C +ATOM 53 CA GLY A 53 271.365 246.242 257.574 1.00 0.00 C +ATOM 54 CA GLY A 54 273.567 246.356 254.466 1.00 0.00 C +ATOM 55 CA PHE A 55 272.761 244.444 251.271 1.00 0.00 C +ATOM 56 CA VAL A 56 273.269 242.549 248.005 1.00 0.00 C +ATOM 57 CA PRO A 57 271.579 243.613 244.760 1.00 0.00 C +ATOM 58 CA SER A 58 270.270 247.190 244.708 1.00 0.00 C +ATOM 59 CA MET A 59 269.384 250.019 247.102 1.00 0.00 C +ATOM 60 CA GLN A 60 267.445 251.750 249.887 1.00 0.00 C +ATOM 61 CA GLY A 61 266.425 253.053 253.319 1.00 0.00 C +ATOM 62 CA ILE A 62 262.791 254.177 253.117 1.00 0.00 C +ATOM 63 CA PRO A 63 259.604 252.112 253.430 1.00 0.00 C +ATOM 64 CA GLU A 64 258.988 249.523 256.156 1.00 0.00 C +ATOM 65 CA SER A 65 259.339 246.418 258.336 1.00 0.00 C +ATOM 66 CA PRO A 66 258.324 245.871 261.967 1.00 0.00 C +ATOM 67 CA PHE A 67 256.685 248.011 264.660 1.00 0.00 C +ATOM 68 CA SER A 68 252.878 247.972 264.508 1.00 0.00 C +ATOM 69 CA ARG A 69 249.345 246.550 264.414 1.00 0.00 C +ATOM 70 CA THR A 70 245.800 245.156 264.519 1.00 0.00 C +ATOM 71 CA GLY A 71 244.049 245.714 261.182 1.00 0.00 C +ATOM 72 CA GLU A 72 240.417 246.691 261.786 1.00 0.00 C +ATOM 73 CA GLY A 73 239.447 247.601 265.357 1.00 0.00 C +ATOM 74 CA LEU A 74 237.895 251.081 265.382 1.00 0.00 C +ATOM 75 CA ASP A 75 234.307 252.165 266.068 1.00 0.00 C +ATOM 76 CA VAL A 76 231.459 253.279 268.341 1.00 0.00 C +ATOM 77 CA ARG A 77 228.237 251.344 268.965 1.00 0.00 C +ATOM 78 CA GLY A 78 224.804 252.311 270.305 1.00 0.00 C +ATOM 79 CA SER A 79 222.292 253.240 273.015 1.00 0.00 C +ATOM 80 CA HIS A 80 222.440 256.880 274.131 1.00 0.00 C +ATOM 81 CA GLY A 81 224.500 260.064 274.497 1.00 0.00 C +ATOM 82 CA PHE A 82 225.830 262.297 277.283 1.00 0.00 C +ATOM 83 CA PRO A 83 223.065 263.165 279.756 1.00 0.00 C +TER 84 PRO A 83 +END diff --git a/Viruses/Q33D03/Q33D03.dcd b/Viruses/Q33D03/Q33D03.dcd new file mode 100644 index 0000000000000000000000000000000000000000..663d8080d1f031368f9c8eba2e18c55c4eeda7f5 --- /dev/null +++ b/Viruses/Q33D03/Q33D03.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ab72965179360e593566994eec0b51d0c1dcfbfdecb473c294915f3831bb93fb +size 13040276 diff --git a/Viruses/Q33D03/top.pdb b/Viruses/Q33D03/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..75a1998198ab2a385845bddea00cd1a2aeddbc64 --- /dev/null +++ b/Viruses/Q33D03/top.pdb @@ -0,0 +1,106 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LYS A 1 293.077 226.077 228.839 1.00 0.00 C +ATOM 2 CA GLN A 2 289.582 224.627 229.291 1.00 0.00 C +ATOM 3 CA LEU A 3 285.793 224.840 229.628 1.00 0.00 C +ATOM 4 CA ALA A 4 283.255 226.977 227.756 1.00 0.00 C +ATOM 5 CA ALA A 5 279.830 226.764 229.413 1.00 0.00 C +ATOM 6 CA GLY A 6 278.596 224.044 231.778 1.00 0.00 C +ATOM 7 CA GLY A 7 277.379 221.006 229.826 1.00 0.00 C +ATOM 8 CA LYS A 8 274.701 218.681 228.435 1.00 0.00 C +ATOM 9 CA VAL A 9 271.015 218.919 229.370 1.00 0.00 C +ATOM 10 CA LEU A 10 268.064 219.029 231.778 1.00 0.00 C +ATOM 11 CA SER A 11 265.211 219.363 234.281 1.00 0.00 C +ATOM 12 CA LYS A 12 263.960 219.031 237.864 1.00 0.00 C +ATOM 13 CA GLU A 13 265.963 219.154 241.103 1.00 0.00 C +ATOM 14 CA GLU A 14 264.483 220.039 244.501 1.00 0.00 C +ATOM 15 CA GLU A 15 264.231 221.761 247.890 1.00 0.00 C +ATOM 16 CA GLU A 16 263.875 221.644 251.681 1.00 0.00 C +ATOM 17 CA GLU A 17 263.186 224.521 254.082 1.00 0.00 C +ATOM 18 CA LEU A 18 262.119 226.477 257.173 1.00 0.00 C +ATOM 19 CA LYS A 19 260.400 227.760 260.322 1.00 0.00 C +ATOM 20 CA ARG A 20 259.495 224.755 262.482 1.00 0.00 C +ATOM 21 CA LEU A 21 261.190 224.703 265.894 1.00 0.00 C +ATOM 22 CA THR A 22 261.600 222.931 269.242 1.00 0.00 C +ATOM 23 CA GLU A 23 261.813 223.626 272.982 1.00 0.00 C +ATOM 24 CA GLU A 24 263.408 226.806 274.345 1.00 0.00 C +ATOM 25 CA ASP A 25 261.842 228.458 277.400 1.00 0.00 C +ATOM 26 CA GLU A 26 262.551 227.657 281.057 1.00 0.00 C +ATOM 27 CA ARG A 27 261.153 226.527 284.416 1.00 0.00 C +ATOM 28 CA ARG A 28 257.346 226.496 284.548 1.00 0.00 C +ATOM 29 CA LYS A 29 255.173 229.625 284.500 1.00 0.00 C +ATOM 30 CA ARG A 30 257.103 232.753 283.496 1.00 0.00 C +ATOM 31 CA ARG A 31 260.164 234.142 285.289 1.00 0.00 C +ATOM 32 CA ILE A 32 261.321 231.894 288.140 1.00 0.00 C +ATOM 33 CA ALA A 33 263.909 232.958 290.725 1.00 0.00 C +ATOM 34 CA GLY A 34 264.379 236.689 290.116 1.00 0.00 C +ATOM 35 CA PRO A 35 267.773 238.420 290.185 1.00 0.00 C +ATOM 36 CA GLN A 36 270.003 236.518 287.751 1.00 0.00 C +ATOM 37 CA VAL A 37 272.463 235.513 285.021 1.00 0.00 C +ATOM 38 CA GLY A 38 274.160 235.904 281.632 1.00 0.00 C +ATOM 39 CA GLY A 39 275.631 234.743 278.315 1.00 0.00 C +ATOM 40 CA VAL A 40 276.166 232.130 275.594 1.00 0.00 C +ATOM 41 CA ASN A 41 272.929 231.178 273.825 1.00 0.00 C +ATOM 42 CA PRO A 42 270.827 234.354 273.906 1.00 0.00 C +ATOM 43 CA LEU A 43 268.474 237.326 273.519 1.00 0.00 C +ATOM 44 CA GLU A 44 268.320 239.623 270.483 1.00 0.00 C +ATOM 45 CA GLY A 45 271.096 240.051 267.909 1.00 0.00 C +ATOM 46 CA GLU A 46 271.897 243.724 267.289 1.00 0.00 C +ATOM 47 CA SER A 47 274.042 246.034 269.428 1.00 0.00 C +ATOM 48 CA ARG A 48 273.756 249.736 268.575 1.00 0.00 C +ATOM 49 CA GLY A 49 270.543 250.886 266.881 1.00 0.00 C +ATOM 50 CA ALA A 50 268.435 252.571 269.572 1.00 0.00 C +ATOM 51 CA PRO A 51 267.338 256.219 269.541 1.00 0.00 C +ATOM 52 CA GLY A 52 266.859 259.285 267.330 1.00 0.00 C +ATOM 53 CA GLY A 53 264.367 261.340 265.309 1.00 0.00 C +ATOM 54 CA GLY A 54 264.375 263.424 262.120 1.00 0.00 C +ATOM 55 CA PHE A 55 261.755 266.170 262.451 1.00 0.00 C +ATOM 56 CA VAL A 56 258.921 266.491 259.924 1.00 0.00 C +ATOM 57 CA PRO A 57 258.578 268.453 256.677 1.00 0.00 C +ATOM 58 CA SER A 58 255.608 270.784 257.188 1.00 0.00 C +ATOM 59 CA MET A 59 253.429 271.324 254.110 1.00 0.00 C +ATOM 60 CA GLN A 60 254.356 272.170 250.513 1.00 0.00 C +ATOM 61 CA GLY A 61 253.917 274.489 247.522 1.00 0.00 C +ATOM 62 CA VAL A 62 252.530 277.992 248.089 1.00 0.00 C +ATOM 63 CA PRO A 63 249.676 279.770 246.296 1.00 0.00 C +ATOM 64 CA GLU A 64 247.875 278.979 243.033 1.00 0.00 C +ATOM 65 CA SER A 65 248.296 275.632 241.262 1.00 0.00 C +ATOM 66 CA PRO A 66 249.067 272.041 242.273 1.00 0.00 C +ATOM 67 CA PHE A 67 248.122 268.351 242.374 1.00 0.00 C +ATOM 68 CA HIS A 68 245.235 266.769 240.456 1.00 0.00 C +ATOM 69 CA ARG A 69 242.126 268.913 239.950 1.00 0.00 C +ATOM 70 CA SER A 70 239.172 269.979 242.108 1.00 0.00 C +ATOM 71 CA GLY A 71 237.384 267.195 243.998 1.00 0.00 C +ATOM 72 CA GLU A 72 233.830 266.320 242.943 1.00 0.00 C +ATOM 73 CA GLY A 73 230.526 266.860 241.122 1.00 0.00 C +ATOM 74 CA LEU A 74 227.676 264.459 240.331 1.00 0.00 C +ATOM 75 CA ASP A 75 224.101 265.767 240.502 1.00 0.00 C +ATOM 76 CA LEU A 76 223.401 269.399 239.587 1.00 0.00 C +ATOM 77 CA ARG A 77 226.162 270.880 237.420 1.00 0.00 C +ATOM 78 CA GLY A 78 226.931 272.700 234.163 1.00 0.00 C +ATOM 79 CA ASN A 79 224.184 275.079 233.017 1.00 0.00 C +ATOM 80 CA GLN A 80 222.636 277.877 230.946 1.00 0.00 C +ATOM 81 CA GLY A 81 219.834 279.487 228.928 1.00 0.00 C +ATOM 82 CA PHE A 82 217.042 281.522 227.322 1.00 0.00 C +ATOM 83 CA PRO A 83 215.603 280.504 223.945 1.00 0.00 C +ATOM 84 CA TRP A 84 217.669 281.349 220.857 1.00 0.00 C +ATOM 85 CA ASP A 85 219.087 281.143 217.327 1.00 0.00 C +ATOM 86 CA ILE A 86 216.438 282.410 214.899 1.00 0.00 C +ATOM 87 CA LEU A 87 214.931 279.795 212.574 1.00 0.00 C +ATOM 88 CA PHE A 88 212.644 277.644 214.733 1.00 0.00 C +ATOM 89 CA PRO A 89 212.137 274.614 216.986 1.00 0.00 C +ATOM 90 CA SER A 90 213.518 275.643 220.385 1.00 0.00 C +ATOM 91 CA ASP A 91 215.769 273.388 222.475 1.00 0.00 C +ATOM 92 CA PRO A 92 216.258 269.627 222.116 1.00 0.00 C +ATOM 93 CA PRO A 93 216.790 265.891 222.641 1.00 0.00 C +ATOM 94 CA PHE A 94 217.522 263.111 225.141 1.00 0.00 C +ATOM 95 CA SER A 95 217.411 263.339 228.943 1.00 0.00 C +ATOM 96 CA PRO A 96 217.345 260.117 230.976 1.00 0.00 C +ATOM 97 CA GLN A 97 214.030 259.671 232.799 1.00 0.00 C +ATOM 98 CA SER A 98 211.155 257.250 232.172 1.00 0.00 C +ATOM 99 CA CYS A 99 210.815 254.365 234.637 1.00 0.00 C +ATOM 100 CA ARG A 100 207.558 252.728 235.745 1.00 0.00 C +ATOM 101 CA PRO A 101 203.926 251.648 236.139 1.00 0.00 C +ATOM 102 CA GLN A 102 200.402 250.200 236.176 1.00 0.00 C +TER 103 GLN A 102 +END diff --git a/Viruses/Q33D07/Q33D07.dcd b/Viruses/Q33D07/Q33D07.dcd new file mode 100644 index 0000000000000000000000000000000000000000..0ac4404a38053a416120015eddf02669ffb981ca --- /dev/null +++ b/Viruses/Q33D07/Q33D07.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ddf08b52b10e7d2576e166c9b90c778a58d5102826c87056544db95646f23a5a +size 10760276 diff --git a/Viruses/Q33D07/top.pdb b/Viruses/Q33D07/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ac7173b60d389ad8e3e41dbe05dcc13fa65ce880 --- /dev/null +++ b/Viruses/Q33D07/top.pdb @@ -0,0 +1,87 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LYS A 1 252.764 237.192 252.527 1.00 0.00 C +ATOM 2 CA GLN A 2 256.089 236.432 250.829 1.00 0.00 C +ATOM 3 CA LEU A 3 257.520 239.528 249.131 1.00 0.00 C +ATOM 4 CA THR A 4 256.369 242.911 247.811 1.00 0.00 C +ATOM 5 CA ALA A 5 257.548 246.461 247.088 1.00 0.00 C +ATOM 6 CA GLY A 6 260.909 246.754 248.858 1.00 0.00 C +ATOM 7 CA GLY A 7 262.092 250.360 248.527 1.00 0.00 C +ATOM 8 CA LYS A 8 260.909 251.582 245.117 1.00 0.00 C +ATOM 9 CA SER A 9 261.004 255.062 243.569 1.00 0.00 C +ATOM 10 CA LEU A 10 261.446 258.443 241.869 1.00 0.00 C +ATOM 11 CA SER A 11 259.505 260.075 239.025 1.00 0.00 C +ATOM 12 CA ARG A 12 258.074 263.598 239.250 1.00 0.00 C +ATOM 13 CA GLU A 13 259.353 266.564 241.270 1.00 0.00 C +ATOM 14 CA GLU A 14 258.321 268.245 244.530 1.00 0.00 C +ATOM 15 CA GLU A 15 260.923 270.074 246.627 1.00 0.00 C +ATOM 16 CA GLU A 16 260.608 271.964 249.920 1.00 0.00 C +ATOM 17 CA GLU A 17 260.477 271.694 253.718 1.00 0.00 C +ATOM 18 CA LEU A 18 258.450 272.913 256.706 1.00 0.00 C +ATOM 19 CA LYS A 19 258.214 269.976 259.121 1.00 0.00 C +ATOM 20 CA ARG A 20 255.635 267.592 257.643 1.00 0.00 C +ATOM 21 CA LEU A 21 254.465 265.069 260.247 1.00 0.00 C +ATOM 22 CA THR A 22 251.900 262.607 258.876 1.00 0.00 C +ATOM 23 CA GLU A 23 248.174 261.817 258.787 1.00 0.00 C +ATOM 24 CA GLU A 24 245.386 262.279 256.232 1.00 0.00 C +ATOM 25 CA ASP A 25 244.610 265.771 254.920 1.00 0.00 C +ATOM 26 CA GLY A 26 242.215 268.552 255.943 1.00 0.00 C +ATOM 27 CA ARG A 27 240.829 271.704 254.311 1.00 0.00 C +ATOM 28 CA ARG A 28 239.679 274.909 252.601 1.00 0.00 C +ATOM 29 CA GLU A 29 242.031 277.281 250.769 1.00 0.00 C +ATOM 30 CA ARG A 30 245.646 277.916 249.748 1.00 0.00 C +ATOM 31 CA ARG A 31 248.412 280.316 248.696 1.00 0.00 C +ATOM 32 CA ALA A 32 249.045 280.083 244.946 1.00 0.00 C +ATOM 33 CA ALA A 33 249.077 283.499 243.260 1.00 0.00 C +ATOM 34 CA GLY A 34 246.556 284.202 240.491 1.00 0.00 C +ATOM 35 CA PRO A 35 243.803 281.632 241.067 1.00 0.00 C +ATOM 36 CA PRO A 36 241.663 280.303 243.925 1.00 0.00 C +ATOM 37 CA PRO A 37 239.433 277.213 243.940 1.00 0.00 C +ATOM 38 CA GLY A 38 241.504 274.035 244.295 1.00 0.00 C +ATOM 39 CA GLY A 39 243.503 271.430 246.228 1.00 0.00 C +ATOM 40 CA VAL A 40 246.229 268.888 245.435 1.00 0.00 C +ATOM 41 CA ASN A 41 246.495 266.701 248.543 1.00 0.00 C +ATOM 42 CA PRO A 42 245.707 263.115 247.524 1.00 0.00 C +ATOM 43 CA LEU A 43 247.014 262.547 243.991 1.00 0.00 C +ATOM 44 CA GLU A 44 250.587 261.242 243.771 1.00 0.00 C +ATOM 45 CA GLY A 45 250.871 257.444 243.670 1.00 0.00 C +ATOM 46 CA GLY A 46 251.742 254.606 246.057 1.00 0.00 C +ATOM 47 CA SER A 47 250.149 253.346 249.281 1.00 0.00 C +ATOM 48 CA ARG A 48 248.753 256.226 251.348 1.00 0.00 C +ATOM 49 CA GLY A 49 245.093 256.501 252.370 1.00 0.00 C +ATOM 50 CA ALA A 50 243.037 255.005 255.207 1.00 0.00 C +ATOM 51 CA PRO A 51 243.363 253.507 258.695 1.00 0.00 C +ATOM 52 CA GLY A 52 241.841 250.940 261.065 1.00 0.00 C +ATOM 53 CA GLY A 53 241.970 247.132 261.049 1.00 0.00 C +ATOM 54 CA GLY A 54 239.663 244.594 259.391 1.00 0.00 C +ATOM 55 CA PHE A 55 239.134 241.137 260.902 1.00 0.00 C +ATOM 56 CA VAL A 56 237.918 238.154 258.868 1.00 0.00 C +ATOM 57 CA PRO A 57 240.311 235.699 257.206 1.00 0.00 C +ATOM 58 CA SER A 58 239.271 235.302 253.562 1.00 0.00 C +ATOM 59 CA MET A 59 239.055 232.147 251.436 1.00 0.00 C +ATOM 60 CA GLN A 60 240.310 228.682 250.472 1.00 0.00 C +ATOM 61 CA GLY A 61 240.833 227.986 246.763 1.00 0.00 C +ATOM 62 CA VAL A 62 239.889 228.677 243.137 1.00 0.00 C +ATOM 63 CA PRO A 63 242.995 228.147 240.996 1.00 0.00 C +ATOM 64 CA VAL A 64 245.648 230.766 240.208 1.00 0.00 C +ATOM 65 CA SER A 65 247.387 232.068 243.338 1.00 0.00 C +ATOM 66 CA PRO A 66 250.926 233.396 243.809 1.00 0.00 C +ATOM 67 CA PHE A 67 252.678 233.024 240.446 1.00 0.00 C +ATOM 68 CA THR A 68 253.352 229.878 238.406 1.00 0.00 C +ATOM 69 CA ARG A 69 253.575 227.109 241.014 1.00 0.00 C +ATOM 70 CA THR A 70 255.745 227.562 244.112 1.00 0.00 C +ATOM 71 CA GLY A 71 256.660 227.213 247.794 1.00 0.00 C +ATOM 72 CA GLU A 72 255.542 224.588 250.319 1.00 0.00 C +ATOM 73 CA GLY A 73 254.067 224.158 253.806 1.00 0.00 C +ATOM 74 CA LEU A 74 250.316 224.605 254.302 1.00 0.00 C +ATOM 75 CA ASP A 75 249.252 224.381 257.954 1.00 0.00 C +ATOM 76 CA ILE A 76 251.933 223.041 260.307 1.00 0.00 C +ATOM 77 CA ARG A 77 252.711 219.323 260.610 1.00 0.00 C +ATOM 78 CA GLY A 78 256.098 218.172 259.300 1.00 0.00 C +ATOM 79 CA ASN A 79 256.925 216.856 255.821 1.00 0.00 C +ATOM 80 CA GLN A 80 255.935 213.560 254.187 1.00 0.00 C +ATOM 81 CA GLY A 81 254.867 210.712 251.892 1.00 0.00 C +ATOM 82 CA PHE A 82 253.468 207.812 253.929 1.00 0.00 C +ATOM 83 CA PRO A 83 256.538 206.012 255.290 1.00 0.00 C +TER 84 PRO A 83 +END diff --git a/Viruses/Q33D14/Q33D14.dcd b/Viruses/Q33D14/Q33D14.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c86b10fe2c27b76c0ea42dea01e5fd11651a4997 --- /dev/null +++ b/Viruses/Q33D14/Q33D14.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d40dacbf876b14406a3abc64e67565f45c2ff0a3d7f3f348ea1e6f0ed95ad8ae +size 13040276 diff --git a/Viruses/Q33D14/top.pdb b/Viruses/Q33D14/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3dd1ad5c11b88fbb049f1e437db6f2127dcbb8c3 --- /dev/null +++ b/Viruses/Q33D14/top.pdb @@ -0,0 +1,106 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LYS A 1 246.273 273.539 211.041 1.00 0.00 C +ATOM 2 CA GLN A 2 246.888 271.695 207.765 1.00 0.00 C +ATOM 3 CA LEU A 3 244.523 272.766 204.976 1.00 0.00 C +ATOM 4 CA SER A 4 241.374 274.415 203.604 1.00 0.00 C +ATOM 5 CA SER A 5 237.877 274.338 202.094 1.00 0.00 C +ATOM 6 CA GLY A 6 238.022 271.670 199.378 1.00 0.00 C +ATOM 7 CA GLY A 7 235.798 268.744 198.373 1.00 0.00 C +ATOM 8 CA LYS A 8 236.695 266.020 195.865 1.00 0.00 C +ATOM 9 CA SER A 9 234.640 262.837 195.471 1.00 0.00 C +ATOM 10 CA LEU A 10 233.025 259.564 194.376 1.00 0.00 C +ATOM 11 CA SER A 11 235.083 256.532 193.331 1.00 0.00 C +ATOM 12 CA LYS A 12 238.678 257.791 193.311 1.00 0.00 C +ATOM 13 CA ALA A 13 242.256 258.817 194.126 1.00 0.00 C +ATOM 14 CA GLU A 14 245.287 259.050 196.423 1.00 0.00 C +ATOM 15 CA GLU A 15 244.284 259.673 200.045 1.00 0.00 C +ATOM 16 CA GLU A 16 243.172 258.088 203.327 1.00 0.00 C +ATOM 17 CA GLU A 17 242.667 256.909 206.914 1.00 0.00 C +ATOM 18 CA LEU A 18 243.751 255.279 210.183 1.00 0.00 C +ATOM 19 CA LYS A 19 241.417 254.498 213.091 1.00 0.00 C +ATOM 20 CA ARG A 20 237.763 254.230 212.045 1.00 0.00 C +ATOM 21 CA LEU A 21 237.147 250.972 210.167 1.00 0.00 C +ATOM 22 CA THR A 22 237.250 247.558 211.853 1.00 0.00 C +ATOM 23 CA GLU A 23 240.267 247.156 214.146 1.00 0.00 C +ATOM 24 CA GLU A 24 243.738 248.513 214.936 1.00 0.00 C +ATOM 25 CA ASP A 25 245.775 246.444 217.403 1.00 0.00 C +ATOM 26 CA GLU A 26 248.421 243.803 218.137 1.00 0.00 C +ATOM 27 CA ARG A 27 251.975 244.233 216.835 1.00 0.00 C +ATOM 28 CA ARG A 28 253.259 247.810 216.558 1.00 0.00 C +ATOM 29 CA LYS A 29 254.906 249.899 213.831 1.00 0.00 C +ATOM 30 CA ARG A 30 257.083 252.652 215.313 1.00 0.00 C +ATOM 31 CA ARG A 31 257.292 255.712 217.573 1.00 0.00 C +ATOM 32 CA VAL A 32 258.564 255.069 221.106 1.00 0.00 C +ATOM 33 CA ALA A 33 258.440 251.371 222.016 1.00 0.00 C +ATOM 34 CA GLY A 34 259.538 249.794 225.306 1.00 0.00 C +ATOM 35 CA PRO A 35 261.724 252.089 227.420 1.00 0.00 C +ATOM 36 CA PRO A 36 264.284 253.237 229.998 1.00 0.00 C +ATOM 37 CA VAL A 37 263.564 251.399 233.257 1.00 0.00 C +ATOM 38 CA GLY A 38 262.834 251.290 236.994 1.00 0.00 C +ATOM 39 CA GLY A 39 262.791 254.368 239.240 1.00 0.00 C +ATOM 40 CA VAL A 40 260.453 257.206 240.236 1.00 0.00 C +ATOM 41 CA ASN A 41 257.221 255.864 241.743 1.00 0.00 C +ATOM 42 CA PRO A 42 256.835 257.372 245.220 1.00 0.00 C +ATOM 43 CA LEU A 43 260.137 258.877 246.383 1.00 0.00 C +ATOM 44 CA GLU A 44 261.868 258.940 249.776 1.00 0.00 C +ATOM 45 CA GLY A 45 263.492 256.512 252.222 1.00 0.00 C +ATOM 46 CA SER A 46 262.761 257.166 255.903 1.00 0.00 C +ATOM 47 CA ALA A 47 260.427 255.910 258.640 1.00 0.00 C +ATOM 48 CA ARG A 48 257.218 257.883 259.213 1.00 0.00 C +ATOM 49 CA GLY A 49 257.895 261.248 257.559 1.00 0.00 C +ATOM 50 CA ALA A 50 260.840 263.136 256.048 1.00 0.00 C +ATOM 51 CA PRO A 51 263.522 263.891 258.647 1.00 0.00 C +ATOM 52 CA GLY A 52 263.583 263.404 262.425 1.00 0.00 C +ATOM 53 CA GLY A 53 260.161 263.936 264.013 1.00 0.00 C +ATOM 54 CA GLY A 54 256.954 262.882 265.779 1.00 0.00 C +ATOM 55 CA PHE A 55 255.332 259.474 266.299 1.00 0.00 C +ATOM 56 CA VAL A 56 251.591 259.594 267.011 1.00 0.00 C +ATOM 57 CA PRO A 57 250.118 256.082 267.085 1.00 0.00 C +ATOM 58 CA ASN A 58 249.370 252.453 266.197 1.00 0.00 C +ATOM 59 CA MET A 59 248.716 248.880 267.346 1.00 0.00 C +ATOM 60 CA GLN A 60 246.220 248.110 270.120 1.00 0.00 C +ATOM 61 CA GLY A 61 242.975 246.761 271.593 1.00 0.00 C +ATOM 62 CA VAL A 62 241.058 245.471 268.564 1.00 0.00 C +ATOM 63 CA PRO A 63 241.803 243.132 265.649 1.00 0.00 C +ATOM 64 CA GLU A 64 244.980 242.098 263.818 1.00 0.00 C +ATOM 65 CA SER A 65 248.071 241.116 265.815 1.00 0.00 C +ATOM 66 CA PRO A 66 250.963 238.640 265.661 1.00 0.00 C +ATOM 67 CA PHE A 67 254.598 239.729 265.326 1.00 0.00 C +ATOM 68 CA SER A 68 257.462 240.218 267.791 1.00 0.00 C +ATOM 69 CA ARG A 69 258.332 239.718 271.466 1.00 0.00 C +ATOM 70 CA THR A 70 258.183 237.751 274.726 1.00 0.00 C +ATOM 71 CA GLY A 71 255.334 236.222 276.741 1.00 0.00 C +ATOM 72 CA GLU A 72 255.374 232.828 278.471 1.00 0.00 C +ATOM 73 CA GLY A 73 257.988 231.712 281.008 1.00 0.00 C +ATOM 74 CA LEU A 74 257.611 229.703 284.224 1.00 0.00 C +ATOM 75 CA ASP A 75 254.945 226.988 284.402 1.00 0.00 C +ATOM 76 CA THR A 76 253.273 227.550 287.779 1.00 0.00 C +ATOM 77 CA ARG A 77 252.149 230.728 289.555 1.00 0.00 C +ATOM 78 CA GLY A 78 248.709 231.845 288.355 1.00 0.00 C +ATOM 79 CA THR A 79 245.912 230.133 286.416 1.00 0.00 C +ATOM 80 CA GLN A 80 242.806 231.423 284.625 1.00 0.00 C +ATOM 81 CA GLY A 81 240.450 234.174 285.806 1.00 0.00 C +ATOM 82 CA PHE A 82 237.271 235.723 287.224 1.00 0.00 C +ATOM 83 CA PRO A 83 237.860 239.297 288.406 1.00 0.00 C +ATOM 84 CA TRP A 84 240.368 242.129 287.949 1.00 0.00 C +ATOM 85 CA ASP A 85 243.508 244.260 287.605 1.00 0.00 C +ATOM 86 CA ILE A 86 243.703 247.788 286.180 1.00 0.00 C +ATOM 87 CA LEU A 87 246.608 249.581 284.488 1.00 0.00 C +ATOM 88 CA PHE A 88 246.904 250.074 280.721 1.00 0.00 C +ATOM 89 CA PRO A 89 250.061 250.644 278.667 1.00 0.00 C +ATOM 90 CA ALA A 90 252.907 248.111 278.685 1.00 0.00 C +ATOM 91 CA ASP A 91 253.993 244.465 278.474 1.00 0.00 C +ATOM 92 CA PRO A 92 254.170 242.898 281.942 1.00 0.00 C +ATOM 93 CA PRO A 93 254.256 244.130 285.546 1.00 0.00 C +ATOM 94 CA PHE A 94 256.269 241.516 287.452 1.00 0.00 C +ATOM 95 CA SER A 95 254.510 238.182 288.004 1.00 0.00 C +ATOM 96 CA PRO A 96 250.702 238.056 287.990 1.00 0.00 C +ATOM 97 CA GLN A 97 247.134 239.390 288.034 1.00 0.00 C +ATOM 98 CA SER A 98 244.881 237.983 290.765 1.00 0.00 C +ATOM 99 CA CYS A 99 245.329 240.262 293.784 1.00 0.00 C +ATOM 100 CA ARG A 100 246.859 243.538 294.987 1.00 0.00 C +ATOM 101 CA PRO A 101 248.279 244.060 298.484 1.00 0.00 C +ATOM 102 CA GLN A 102 248.412 241.327 301.135 1.00 0.00 C +TER 103 GLN A 102 +END diff --git a/Viruses/Q33D20/Q33D20.dcd b/Viruses/Q33D20/Q33D20.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8d2cfa30dcdf3609160aa91786d8c45224d0f71c --- /dev/null +++ b/Viruses/Q33D20/Q33D20.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b6ed9a303cfb82fcc520c5e3851d94c2bdd13f8b2a714d1f6b203ac926793666 +size 10760276 diff --git a/Viruses/Q33D20/top.pdb b/Viruses/Q33D20/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..20a2d2613cc41c29d8128d60d4deb61f4b93013c --- /dev/null +++ b/Viruses/Q33D20/top.pdb @@ -0,0 +1,87 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LYS A 1 257.351 249.098 221.494 1.00 0.00 C +ATOM 2 CA GLN A 2 259.957 251.745 222.342 1.00 0.00 C +ATOM 3 CA LEU A 3 259.618 252.619 226.035 1.00 0.00 C +ATOM 4 CA THR A 4 261.498 255.002 228.339 1.00 0.00 C +ATOM 5 CA ALA A 5 264.011 257.620 227.181 1.00 0.00 C +ATOM 6 CA GLY A 6 262.513 260.472 225.147 1.00 0.00 C +ATOM 7 CA ARG A 7 259.011 260.933 223.721 1.00 0.00 C +ATOM 8 CA LYS A 8 255.338 261.279 224.674 1.00 0.00 C +ATOM 9 CA ASN A 9 252.048 261.418 222.757 1.00 0.00 C +ATOM 10 CA LEU A 10 248.448 260.276 222.261 1.00 0.00 C +ATOM 11 CA SER A 11 246.950 256.908 223.225 1.00 0.00 C +ATOM 12 CA ARG A 12 245.986 255.868 226.761 1.00 0.00 C +ATOM 13 CA GLU A 13 242.384 255.392 227.906 1.00 0.00 C +ATOM 14 CA GLU A 14 241.701 256.279 231.548 1.00 0.00 C +ATOM 15 CA GLU A 15 243.495 258.677 233.903 1.00 0.00 C +ATOM 16 CA GLY A 16 245.704 260.157 236.632 1.00 0.00 C +ATOM 17 CA GLU A 17 244.731 258.376 239.856 1.00 0.00 C +ATOM 18 CA LEU A 18 244.291 258.522 243.638 1.00 0.00 C +ATOM 19 CA LYS A 19 247.402 257.004 245.230 1.00 0.00 C +ATOM 20 CA ARG A 20 249.288 255.793 248.311 1.00 0.00 C +ATOM 21 CA LEU A 21 250.296 252.221 247.449 1.00 0.00 C +ATOM 22 CA THR A 22 253.259 250.300 246.018 1.00 0.00 C +ATOM 23 CA GLU A 23 254.267 246.690 245.333 1.00 0.00 C +ATOM 24 CA SER A 24 251.531 244.068 244.940 1.00 0.00 C +ATOM 25 CA ASP A 25 247.770 244.547 244.556 1.00 0.00 C +ATOM 26 CA GLU A 26 246.327 241.032 244.284 1.00 0.00 C +ATOM 27 CA GLU A 27 245.304 238.994 247.336 1.00 0.00 C +ATOM 28 CA GLY A 28 246.294 239.424 250.990 1.00 0.00 C +ATOM 29 CA LYS A 29 243.156 240.345 252.947 1.00 0.00 C +ATOM 30 CA GLU A 30 239.794 239.921 251.206 1.00 0.00 C +ATOM 31 CA GLU A 31 237.002 240.686 248.730 1.00 0.00 C +ATOM 32 CA VAL A 32 233.957 242.800 247.848 1.00 0.00 C +ATOM 33 CA ALA A 33 233.410 245.577 250.399 1.00 0.00 C +ATOM 34 CA GLY A 34 233.420 249.237 249.338 1.00 0.00 C +ATOM 35 CA PRO A 35 232.106 249.455 245.769 1.00 0.00 C +ATOM 36 CA GLN A 36 231.305 252.923 244.409 1.00 0.00 C +ATOM 37 CA VAL A 37 232.726 255.867 246.366 1.00 0.00 C +ATOM 38 CA GLY A 38 233.619 259.434 245.370 1.00 0.00 C +ATOM 39 CA GLY A 39 234.986 262.973 245.722 1.00 0.00 C +ATOM 40 CA VAL A 40 238.418 264.504 245.095 1.00 0.00 C +ATOM 41 CA ASN A 41 241.225 266.737 243.810 1.00 0.00 C +ATOM 42 CA PRO A 42 244.522 266.702 241.900 1.00 0.00 C +ATOM 43 CA LEU A 43 245.905 268.217 238.689 1.00 0.00 C +ATOM 44 CA GLU A 44 249.017 269.858 237.227 1.00 0.00 C +ATOM 45 CA GLY A 45 252.701 270.794 236.974 1.00 0.00 C +ATOM 46 CA GLY A 46 255.444 268.167 237.277 1.00 0.00 C +ATOM 47 CA SER A 47 259.253 268.114 237.183 1.00 0.00 C +ATOM 48 CA ARG A 48 260.959 271.483 237.684 1.00 0.00 C +ATOM 49 CA GLY A 49 264.463 271.333 239.173 1.00 0.00 C +ATOM 50 CA ALA A 50 268.081 271.813 238.081 1.00 0.00 C +ATOM 51 CA PRO A 51 269.782 268.404 238.130 1.00 0.00 C +ATOM 52 CA GLY A 52 271.369 265.207 239.461 1.00 0.00 C +ATOM 53 CA GLY A 53 269.508 263.362 242.227 1.00 0.00 C +ATOM 54 CA GLY A 54 268.961 260.244 244.348 1.00 0.00 C +ATOM 55 CA PHE A 55 268.945 257.069 246.455 1.00 0.00 C +ATOM 56 CA VAL A 56 266.544 257.482 249.383 1.00 0.00 C +ATOM 57 CA PRO A 57 264.045 255.575 251.537 1.00 0.00 C +ATOM 58 CA SER A 58 262.847 254.656 255.035 1.00 0.00 C +ATOM 59 CA MET A 59 261.803 252.997 258.302 1.00 0.00 C +ATOM 60 CA GLN A 60 264.126 250.579 260.110 1.00 0.00 C +ATOM 61 CA GLY A 61 262.122 247.837 261.839 1.00 0.00 C +ATOM 62 CA VAL A 62 260.085 245.259 259.910 1.00 0.00 C +ATOM 63 CA PRO A 63 257.321 243.081 261.368 1.00 0.00 C +ATOM 64 CA GLU A 64 256.693 241.216 264.631 1.00 0.00 C +ATOM 65 CA SER A 65 255.840 239.387 267.863 1.00 0.00 C +ATOM 66 CA PRO A 66 253.185 238.740 270.518 1.00 0.00 C +ATOM 67 CA PHE A 67 252.188 237.678 274.038 1.00 0.00 C +ATOM 68 CA THR A 68 252.562 234.522 276.140 1.00 0.00 C +ATOM 69 CA ARG A 69 250.542 231.430 275.204 1.00 0.00 C +ATOM 70 CA THR A 70 247.832 230.212 277.590 1.00 0.00 C +ATOM 71 CA GLY A 71 245.297 227.533 276.636 1.00 0.00 C +ATOM 72 CA GLU A 72 243.258 228.079 273.464 1.00 0.00 C +ATOM 73 CA GLY A 73 239.507 227.418 273.370 1.00 0.00 C +ATOM 74 CA LEU A 74 236.018 226.750 274.748 1.00 0.00 C +ATOM 75 CA ASP A 75 235.066 226.249 278.403 1.00 0.00 C +ATOM 76 CA LEU A 76 237.569 223.692 279.712 1.00 0.00 C +ATOM 77 CA ARG A 77 237.471 223.988 283.510 1.00 0.00 C +ATOM 78 CA GLY A 78 239.169 227.010 285.091 1.00 0.00 C +ATOM 79 CA ASN A 79 242.057 229.191 286.283 1.00 0.00 C +ATOM 80 CA GLN A 80 244.224 229.772 283.203 1.00 0.00 C +ATOM 81 CA GLY A 81 246.663 232.669 283.617 1.00 0.00 C +ATOM 82 CA PHE A 82 246.135 236.359 282.830 1.00 0.00 C +ATOM 83 CA PRO A 83 249.023 238.695 281.980 1.00 0.00 C +TER 84 PRO A 83 +END diff --git a/Viruses/Q38506/Q38506.dcd b/Viruses/Q38506/Q38506.dcd new file mode 100644 index 0000000000000000000000000000000000000000..22c82b1fcc4a977069936e8a73dcc04f69f19ad8 --- /dev/null +++ b/Viruses/Q38506/Q38506.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:845d969366d1f77552447963eaf83063ad1666949c728d4f54bf83422527e81a +size 5240276 diff --git a/Viruses/Q38506/top.pdb b/Viruses/Q38506/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9cd136fb6a982224eecd736a24ea57aba4d00ea6 --- /dev/null +++ b/Viruses/Q38506/top.pdb @@ -0,0 +1,41 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 247.765 230.369 251.059 1.00 0.00 C +ATOM 2 CA GLY A 2 250.279 233.210 251.417 1.00 0.00 C +ATOM 3 CA ARG A 3 252.722 235.809 250.079 1.00 0.00 C +ATOM 4 CA ARG A 4 251.965 239.102 251.839 1.00 0.00 C +ATOM 5 CA ASN A 5 253.903 241.689 249.822 1.00 0.00 C +ATOM 6 CA GLY A 6 256.664 244.243 250.431 1.00 0.00 C +ATOM 7 CA LYS A 7 259.626 244.218 252.826 1.00 0.00 C +ATOM 8 CA ASN A 8 263.330 243.574 252.205 1.00 0.00 C +ATOM 9 CA ASP A 9 265.250 245.769 249.753 1.00 0.00 C +ATOM 10 CA ALA A 10 267.995 245.388 247.138 1.00 0.00 C +ATOM 11 CA GLU A 11 267.419 247.533 244.043 1.00 0.00 C +ATOM 12 CA ARG A 12 264.279 249.660 244.410 1.00 0.00 C +ATOM 13 CA ASN A 13 262.896 253.194 244.070 1.00 0.00 C +ATOM 14 CA HIS A 14 265.481 255.945 243.560 1.00 0.00 C +ATOM 15 CA LYS A 15 264.670 259.100 245.535 1.00 0.00 C +ATOM 16 CA ASP A 16 263.824 262.805 245.815 1.00 0.00 C +ATOM 17 CA ASN A 17 262.646 265.998 247.527 1.00 0.00 C +ATOM 18 CA ARG A 18 259.198 267.135 246.372 1.00 0.00 C +ATOM 19 CA GLN A 19 257.189 264.209 244.987 1.00 0.00 C +ATOM 20 CA ARG A 20 256.231 260.522 244.914 1.00 0.00 C +ATOM 21 CA CYS A 21 253.978 258.791 247.454 1.00 0.00 C +ATOM 22 CA GLN A 22 254.102 256.097 250.144 1.00 0.00 C +ATOM 23 CA ASN A 23 254.177 254.799 253.726 1.00 0.00 C +ATOM 24 CA GLY A 24 253.134 252.307 256.412 1.00 0.00 C +ATOM 25 CA ASP A 25 252.095 249.616 258.902 1.00 0.00 C +ATOM 26 CA GLY A 26 248.285 249.613 258.895 1.00 0.00 C +ATOM 27 CA GLY A 27 244.610 248.853 258.235 1.00 0.00 C +ATOM 28 CA ARG A 28 241.081 248.237 259.532 1.00 0.00 C +ATOM 29 CA ARG A 29 238.269 249.537 257.314 1.00 0.00 C +ATOM 30 CA GLY A 30 237.369 248.937 253.661 1.00 0.00 C +ATOM 31 CA SER A 31 234.871 249.950 250.968 1.00 0.00 C +ATOM 32 CA GLY A 32 232.297 247.571 249.473 1.00 0.00 C +ATOM 33 CA ARG A 33 228.673 247.742 250.637 1.00 0.00 C +ATOM 34 CA ALA A 34 225.284 247.486 248.915 1.00 0.00 C +ATOM 35 CA THR A 35 222.002 249.343 248.371 1.00 0.00 C +ATOM 36 CA THR A 36 219.946 250.190 245.277 1.00 0.00 C +ATOM 37 CA ILE A 37 216.494 251.460 244.284 1.00 0.00 C +TER 38 ILE A 37 +END diff --git a/Viruses/Q38583/Q38583.dcd b/Viruses/Q38583/Q38583.dcd new file mode 100644 index 0000000000000000000000000000000000000000..7f7dae8a235fd4d9f9f7ede4875005e6804eea47 --- /dev/null +++ b/Viruses/Q38583/Q38583.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1221abdb5212b80aa36209cfbf469bdc659b75a2a6d94694eff5194c8042c149 +size 7760276 diff --git a/Viruses/Q38583/top.pdb b/Viruses/Q38583/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..55c9a92dd5caca50072f5f5571c54e888e360769 --- /dev/null +++ b/Viruses/Q38583/top.pdb @@ -0,0 +1,62 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 270.685 238.351 229.953 1.00 0.00 C +ATOM 2 CA ALA A 2 267.819 238.075 232.447 1.00 0.00 C +ATOM 3 CA VAL A 3 264.763 239.064 234.496 1.00 0.00 C +ATOM 4 CA ASP A 4 261.662 240.941 235.671 1.00 0.00 C +ATOM 5 CA ILE A 5 259.554 243.110 237.987 1.00 0.00 C +ATOM 6 CA THR A 6 258.330 244.021 241.478 1.00 0.00 C +ATOM 7 CA THR A 7 256.058 247.042 241.959 1.00 0.00 C +ATOM 8 CA PHE A 8 254.407 250.043 240.291 1.00 0.00 C +ATOM 9 CA ILE A 9 255.963 253.499 240.674 1.00 0.00 C +ATOM 10 CA ILE A 10 259.170 253.921 242.688 1.00 0.00 C +ATOM 11 CA ALA A 11 260.638 257.311 243.618 1.00 0.00 C +ATOM 12 CA LYS A 12 262.021 260.006 245.930 1.00 0.00 C +ATOM 13 CA GLN A 13 262.767 260.703 249.601 1.00 0.00 C +ATOM 14 CA ARG A 14 262.136 259.423 253.134 1.00 0.00 C +ATOM 15 CA GLU A 15 259.951 261.029 255.810 1.00 0.00 C +ATOM 16 CA LYS A 16 257.035 262.952 257.331 1.00 0.00 C +ATOM 17 CA GLU A 17 254.956 265.006 259.775 1.00 0.00 C +ATOM 18 CA ARG A 18 252.955 268.022 260.965 1.00 0.00 C +ATOM 19 CA GLU A 19 249.444 269.189 260.058 1.00 0.00 C +ATOM 20 CA GLU A 20 246.066 270.685 259.125 1.00 0.00 C +ATOM 21 CA ALA A 21 244.943 270.015 255.547 1.00 0.00 C +ATOM 22 CA ALA A 22 243.493 269.401 252.077 1.00 0.00 C +ATOM 23 CA ARG A 23 241.418 267.327 249.646 1.00 0.00 C +ATOM 24 CA LYS A 24 239.008 265.545 247.293 1.00 0.00 C +ATOM 25 CA ALA A 25 235.696 265.394 249.170 1.00 0.00 C +ATOM 26 CA GLU A 26 236.269 266.383 252.804 1.00 0.00 C +ATOM 27 CA GLU A 27 236.821 263.550 255.291 1.00 0.00 C +ATOM 28 CA GLU A 28 236.768 260.306 253.294 1.00 0.00 C +ATOM 29 CA LYS A 29 238.757 257.308 254.549 1.00 0.00 C +ATOM 30 CA LYS A 30 241.675 255.108 253.471 1.00 0.00 C +ATOM 31 CA ALA A 31 242.588 255.586 249.803 1.00 0.00 C +ATOM 32 CA SER A 32 240.930 253.605 247.003 1.00 0.00 C +ATOM 33 CA GLU A 33 239.653 250.111 246.176 1.00 0.00 C +ATOM 34 CA LYS A 34 239.025 246.640 247.614 1.00 0.00 C +ATOM 35 CA ARG A 35 236.585 244.003 246.345 1.00 0.00 C +ATOM 36 CA GLN A 36 234.075 241.157 246.688 1.00 0.00 C +ATOM 37 CA LYS A 37 235.214 237.858 248.217 1.00 0.00 C +ATOM 38 CA GLY A 38 236.528 234.677 249.851 1.00 0.00 C +ATOM 39 CA ALA A 39 237.410 231.088 248.923 1.00 0.00 C +ATOM 40 CA GLN A 40 240.459 229.384 247.401 1.00 0.00 C +ATOM 41 CA LYS A 41 243.904 229.791 248.975 1.00 0.00 C +ATOM 42 CA PRO A 42 246.700 231.050 246.713 1.00 0.00 C +ATOM 43 CA LYS A 43 246.746 234.841 246.341 1.00 0.00 C +ATOM 44 CA LYS A 44 244.587 236.240 249.151 1.00 0.00 C +ATOM 45 CA ASP A 45 245.819 239.815 249.620 1.00 0.00 C +ATOM 46 CA SER A 46 243.749 241.634 252.250 1.00 0.00 C +ATOM 47 CA GLU A 47 244.935 240.863 255.788 1.00 0.00 C +ATOM 48 CA GLY A 48 243.701 242.436 259.031 1.00 0.00 C +ATOM 49 CA LYS A 49 245.569 242.203 262.343 1.00 0.00 C +ATOM 50 CA SER A 50 248.214 244.946 262.312 1.00 0.00 C +ATOM 51 CA THR A 51 249.820 244.696 258.867 1.00 0.00 C +ATOM 52 CA ARG A 52 253.564 245.204 258.371 1.00 0.00 C +ATOM 53 CA LYS A 53 256.265 246.713 256.147 1.00 0.00 C +ATOM 54 CA PRO A 54 260.010 246.870 255.465 1.00 0.00 C +ATOM 55 CA PRO A 55 263.413 247.571 253.902 1.00 0.00 C +ATOM 56 CA LYS A 56 266.662 245.592 253.706 1.00 0.00 C +ATOM 57 CA LYS A 57 269.893 247.258 252.563 1.00 0.00 C +ATOM 58 CA LYS A 58 272.751 245.437 254.303 1.00 0.00 C +TER 59 LYS A 58 +END diff --git a/Viruses/Q38HE4/Q38HE4.dcd b/Viruses/Q38HE4/Q38HE4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..71c9c912c416409209a7009c618332da2d8a1717 --- /dev/null +++ b/Viruses/Q38HE4/Q38HE4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8c783411068312f6224ec3aeff0dee0b1f8cc16454816a17d58b1ea413eea7d1 +size 8000276 diff --git a/Viruses/Q38HE4/top.pdb b/Viruses/Q38HE4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3aa1f80b4f88c2c16ad3e54a2e356636a3473c6c --- /dev/null +++ b/Viruses/Q38HE4/top.pdb @@ -0,0 +1,64 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ALA A 1 277.229 290.127 238.671 1.00 0.00 C +ATOM 2 CA ALA A 2 273.668 288.992 239.409 1.00 0.00 C +ATOM 3 CA GLU A 3 271.774 286.326 237.453 1.00 0.00 C +ATOM 4 CA MET A 4 268.144 285.401 236.759 1.00 0.00 C +ATOM 5 CA MET A 5 265.935 282.519 237.913 1.00 0.00 C +ATOM 6 CA GLU A 6 266.598 278.798 237.434 1.00 0.00 C +ATOM 7 CA GLU A 7 265.572 275.708 235.456 1.00 0.00 C +ATOM 8 CA GLU A 8 262.372 273.871 234.506 1.00 0.00 C +ATOM 9 CA MET A 9 261.456 270.223 233.899 1.00 0.00 C +ATOM 10 CA ASN A 10 258.844 267.501 234.439 1.00 0.00 C +ATOM 11 CA GLN A 11 257.975 264.090 235.897 1.00 0.00 C +ATOM 12 CA ARG A 12 259.538 261.220 237.854 1.00 0.00 C +ATOM 13 CA THR A 13 259.432 258.044 235.753 1.00 0.00 C +ATOM 14 CA LYS A 14 258.991 255.122 233.348 1.00 0.00 C +ATOM 15 CA ILE A 15 261.398 252.500 231.990 1.00 0.00 C +ATOM 16 CA GLY A 16 263.757 249.519 231.725 1.00 0.00 C +ATOM 17 CA ASN A 17 263.767 246.909 234.501 1.00 0.00 C +ATOM 18 CA GLY A 18 265.182 243.496 235.430 1.00 0.00 C +ATOM 19 CA SER A 19 264.430 241.622 238.661 1.00 0.00 C +ATOM 20 CA VAL A 20 262.088 240.227 241.322 1.00 0.00 C +ATOM 21 CA LYS A 21 259.110 239.969 243.685 1.00 0.00 C +ATOM 22 CA LEU A 22 257.631 238.630 246.930 1.00 0.00 C +ATOM 23 CA THR A 23 255.215 239.013 249.851 1.00 0.00 C +ATOM 24 CA GLU A 24 254.402 237.707 253.337 1.00 0.00 C +ATOM 25 CA LYS A 25 256.367 236.699 256.442 1.00 0.00 C +ATOM 26 CA ALA A 26 254.742 235.516 259.678 1.00 0.00 C +ATOM 27 CA LYS A 27 256.327 235.648 263.140 1.00 0.00 C +ATOM 28 CA GLU A 28 258.609 232.989 264.638 1.00 0.00 C +ATOM 29 CA LEU A 29 260.390 230.092 266.354 1.00 0.00 C +ATOM 30 CA ASN A 30 259.749 226.364 265.897 1.00 0.00 C +ATOM 31 CA LYS A 31 256.624 224.513 264.746 1.00 0.00 C +ATOM 32 CA ILE A 32 254.369 226.364 262.296 1.00 0.00 C +ATOM 33 CA VAL A 33 252.757 229.674 261.314 1.00 0.00 C +ATOM 34 CA GLU A 34 248.988 230.181 261.080 1.00 0.00 C +ATOM 35 CA ASP A 35 246.596 232.745 259.592 1.00 0.00 C +ATOM 36 CA GLU A 36 246.289 236.487 260.242 1.00 0.00 C +ATOM 37 CA SER A 37 243.894 239.099 258.844 1.00 0.00 C +ATOM 38 CA THR A 38 240.335 240.114 259.749 1.00 0.00 C +ATOM 39 CA SER A 39 239.191 241.066 263.256 1.00 0.00 C +ATOM 40 CA GLY A 40 235.670 240.154 264.390 1.00 0.00 C +ATOM 41 CA GLU A 41 231.918 240.001 265.038 1.00 0.00 C +ATOM 42 CA SER A 42 229.431 240.128 267.921 1.00 0.00 C +ATOM 43 CA GLU A 43 226.231 241.464 266.341 1.00 0.00 C +ATOM 44 CA GLU A 44 225.550 241.245 262.599 1.00 0.00 C +ATOM 45 CA GLU A 45 224.867 237.945 260.822 1.00 0.00 C +ATOM 46 CA GLU A 46 227.171 237.258 257.866 1.00 0.00 C +ATOM 47 CA GLU A 47 229.147 239.910 255.975 1.00 0.00 C +ATOM 48 CA LEU A 48 232.153 241.518 257.678 1.00 0.00 C +ATOM 49 CA LYS A 49 235.606 243.067 257.240 1.00 0.00 C +ATOM 50 CA ASP A 50 236.896 245.169 254.336 1.00 0.00 C +ATOM 51 CA ILE A 51 237.881 248.755 253.506 1.00 0.00 C +ATOM 52 CA GLN A 52 241.086 250.761 253.035 1.00 0.00 C +ATOM 53 CA GLU A 53 241.909 254.477 252.881 1.00 0.00 C +ATOM 54 CA ASN A 54 241.231 257.746 251.044 1.00 0.00 C +ATOM 55 CA ASN A 55 240.117 259.359 247.777 1.00 0.00 C +ATOM 56 CA GLN A 56 237.448 257.757 245.581 1.00 0.00 C +ATOM 57 CA ASP A 57 234.320 259.417 244.175 1.00 0.00 C +ATOM 58 CA ASP A 58 233.351 262.642 245.958 1.00 0.00 C +ATOM 59 CA ASP A 59 233.607 266.405 245.421 1.00 0.00 C +ATOM 60 CA ILE A 60 234.675 269.739 246.925 1.00 0.00 C +TER 61 ILE A 60 +END diff --git a/Viruses/Q38I94/Q38I94.dcd b/Viruses/Q38I94/Q38I94.dcd new file mode 100644 index 0000000000000000000000000000000000000000..2746a2eab1c5c2a1fc57e53561d262b4b7a50537 --- /dev/null +++ b/Viruses/Q38I94/Q38I94.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:567e7a6c693ce337a9b26b2e0b97566e10066d8e2029121c33da659a2f6fcbb5 +size 11840276 diff --git a/Viruses/Q38I94/top.pdb b/Viruses/Q38I94/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0837c9b871c6028b7fc53f18512146dc81e37e1b --- /dev/null +++ b/Viruses/Q38I94/top.pdb @@ -0,0 +1,96 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ALA A 1 265.112 261.303 275.706 1.00 0.00 C +ATOM 2 CA ASP A 2 264.567 264.513 277.684 1.00 0.00 C +ATOM 3 CA GLU A 3 266.093 267.034 280.100 1.00 0.00 C +ATOM 4 CA GLU A 4 263.995 270.202 280.382 1.00 0.00 C +ATOM 5 CA GLU A 5 260.948 271.379 282.343 1.00 0.00 C +ATOM 6 CA ASP A 6 259.679 273.395 285.317 1.00 0.00 C +ATOM 7 CA ASP A 7 257.630 276.288 283.922 1.00 0.00 C +ATOM 8 CA GLU A 8 258.699 278.703 281.175 1.00 0.00 C +ATOM 9 CA GLU A 9 257.522 280.942 278.326 1.00 0.00 C +ATOM 10 CA VAL A 10 259.053 282.819 275.385 1.00 0.00 C +ATOM 11 CA ASP A 11 262.558 281.831 274.264 1.00 0.00 C +ATOM 12 CA ALA A 12 262.652 278.122 273.399 1.00 0.00 C +ATOM 13 CA GLY A 13 259.311 276.424 274.086 1.00 0.00 C +ATOM 14 CA ARG A 14 258.469 273.067 272.492 1.00 0.00 C +ATOM 15 CA PRO A 15 256.088 270.096 272.634 1.00 0.00 C +ATOM 16 CA THR A 16 255.266 266.845 270.825 1.00 0.00 C +ATOM 17 CA VAL A 17 251.865 266.808 269.108 1.00 0.00 C +ATOM 18 CA VAL A 18 252.014 266.826 265.301 1.00 0.00 C +ATOM 19 CA THR A 19 250.810 270.084 263.734 1.00 0.00 C +ATOM 20 CA ALA A 20 251.888 270.574 260.113 1.00 0.00 C +ATOM 21 CA PRO A 21 254.998 268.575 259.194 1.00 0.00 C +ATOM 22 CA ALA A 22 257.995 266.245 259.523 1.00 0.00 C +ATOM 23 CA ALA A 23 258.180 262.467 259.064 1.00 0.00 C +ATOM 24 CA THR A 24 259.383 261.329 255.633 1.00 0.00 C +ATOM 25 CA VAL A 25 261.688 258.371 256.309 1.00 0.00 C +ATOM 26 CA ALA A 26 261.099 254.638 256.791 1.00 0.00 C +ATOM 27 CA THR A 27 258.597 253.587 259.465 1.00 0.00 C +ATOM 28 CA THR A 28 258.002 251.383 262.515 1.00 0.00 C +ATOM 29 CA GLN A 29 259.927 252.269 265.681 1.00 0.00 C +ATOM 30 CA PRO A 30 257.869 253.867 268.462 1.00 0.00 C +ATOM 31 CA ALA A 31 257.456 257.560 269.301 1.00 0.00 C +ATOM 32 CA PRO A 32 256.078 259.472 272.295 1.00 0.00 C +ATOM 33 CA VAL A 33 252.409 260.129 271.506 1.00 0.00 C +ATOM 34 CA ILE A 34 249.116 260.769 269.700 1.00 0.00 C +ATOM 35 CA GLN A 35 246.714 257.865 269.141 1.00 0.00 C +ATOM 36 CA PRO A 36 245.039 254.446 269.000 1.00 0.00 C +ATOM 37 CA ALA A 37 244.030 251.463 271.145 1.00 0.00 C +ATOM 38 CA PRO A 38 246.950 250.906 273.529 1.00 0.00 C +ATOM 39 CA GLN A 39 249.958 248.834 272.447 1.00 0.00 C +ATOM 40 CA THR A 40 250.623 246.995 269.177 1.00 0.00 C +ATOM 41 CA THR A 41 252.181 248.962 266.311 1.00 0.00 C +ATOM 42 CA ALA A 42 250.084 252.048 265.537 1.00 0.00 C +ATOM 43 CA PRO A 43 251.551 254.893 263.470 1.00 0.00 C +ATOM 44 CA MET A 44 252.913 257.490 261.038 1.00 0.00 C +ATOM 45 CA PHE A 45 251.697 261.042 261.684 1.00 0.00 C +ATOM 46 CA ASN A 46 249.031 261.976 259.127 1.00 0.00 C +ATOM 47 CA PRO A 47 249.275 261.100 255.427 1.00 0.00 C +ATOM 48 CA ILE A 48 252.917 261.039 254.310 1.00 0.00 C +ATOM 49 CA PHE A 49 254.324 258.861 251.519 1.00 0.00 C +ATOM 50 CA THR A 50 255.377 260.864 248.453 1.00 0.00 C +ATOM 51 CA PRO A 51 257.732 262.698 246.085 1.00 0.00 C +ATOM 52 CA ALA A 52 256.357 262.138 242.576 1.00 0.00 C +ATOM 53 CA THR A 53 256.187 258.388 241.925 1.00 0.00 C +ATOM 54 CA THR A 54 255.608 256.149 238.897 1.00 0.00 C +ATOM 55 CA GLN A 55 256.736 252.652 237.888 1.00 0.00 C +ATOM 56 CA PRO A 56 258.965 249.860 236.563 1.00 0.00 C +ATOM 57 CA ALA A 57 262.089 248.140 235.223 1.00 0.00 C +ATOM 58 CA VAL A 58 260.963 245.380 232.850 1.00 0.00 C +ATOM 59 CA LYS A 59 260.211 244.542 229.210 1.00 0.00 C +ATOM 60 CA PRO A 60 261.068 244.769 225.505 1.00 0.00 C +ATOM 61 CA VAL A 61 257.844 244.506 223.491 1.00 0.00 C +ATOM 62 CA PRO A 62 256.346 246.941 220.972 1.00 0.00 C +ATOM 63 CA PRO A 63 252.889 247.783 222.335 1.00 0.00 C +ATOM 64 CA ILE A 64 249.114 247.301 222.501 1.00 0.00 C +ATOM 65 CA SER A 65 247.541 244.881 220.013 1.00 0.00 C +ATOM 66 CA GLY A 66 250.024 242.008 219.704 1.00 0.00 C +ATOM 67 CA ALA A 67 248.770 239.137 221.873 1.00 0.00 C +ATOM 68 CA LYS A 68 247.208 236.579 224.225 1.00 0.00 C +ATOM 69 CA PRO A 69 244.795 233.648 223.899 1.00 0.00 C +ATOM 70 CA ARG A 70 241.478 233.658 222.026 1.00 0.00 C +ATOM 71 CA SER A 71 239.227 236.001 224.016 1.00 0.00 C +ATOM 72 CA PHE A 72 240.578 236.488 227.545 1.00 0.00 C +ATOM 73 CA GLY A 73 241.675 233.517 229.662 1.00 0.00 C +ATOM 74 CA VAL A 74 244.027 230.657 230.562 1.00 0.00 C +ATOM 75 CA TYR A 75 242.793 227.167 229.662 1.00 0.00 C +ATOM 76 CA GLY A 76 240.406 227.496 226.710 1.00 0.00 C +ATOM 77 CA ASN A 77 236.872 228.017 225.385 1.00 0.00 C +ATOM 78 CA GLU A 78 234.035 229.588 227.385 1.00 0.00 C +ATOM 79 CA ASP A 79 233.222 227.050 230.109 1.00 0.00 C +ATOM 80 CA ALA A 80 229.596 226.093 229.433 1.00 0.00 C +ATOM 81 CA SER A 81 228.044 226.466 225.974 1.00 0.00 C +ATOM 82 CA PRO A 82 228.138 224.026 223.049 1.00 0.00 C +ATOM 83 CA SER A 83 226.558 220.613 223.661 1.00 0.00 C +ATOM 84 CA THR A 84 225.755 218.129 226.436 1.00 0.00 C +ATOM 85 CA SER A 85 223.255 217.534 229.249 1.00 0.00 C +ATOM 86 CA ASN A 86 223.982 214.106 230.743 1.00 0.00 C +ATOM 87 CA THR A 87 227.323 212.274 230.749 1.00 0.00 C +ATOM 88 CA LEU A 88 230.400 210.029 230.856 1.00 0.00 C +ATOM 89 CA VAL A 89 233.038 211.131 228.337 1.00 0.00 C +ATOM 90 CA ASN A 90 235.553 213.586 226.866 1.00 0.00 C +ATOM 91 CA THR A 91 237.373 215.433 229.657 1.00 0.00 C +ATOM 92 CA GLY A 92 236.541 216.741 233.138 1.00 0.00 C +TER 93 GLY A 92 +END diff --git a/Viruses/Q38I97/Q38I97.dcd b/Viruses/Q38I97/Q38I97.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d12e60fb424c4abfc0ba63cdcff226311152699d --- /dev/null +++ b/Viruses/Q38I97/Q38I97.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:009d68b66f0802beaad0d3610fa8fcef0064936611d283d64bb6267b626dee44 +size 11840276 diff --git a/Viruses/Q38I97/top.pdb b/Viruses/Q38I97/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d6979f76808818eebe08b49e141fa63b0953a53f --- /dev/null +++ b/Viruses/Q38I97/top.pdb @@ -0,0 +1,96 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ALA A 1 247.106 216.650 224.871 1.00 0.00 C +ATOM 2 CA ASP A 2 250.039 216.093 222.504 1.00 0.00 C +ATOM 3 CA GLU A 3 253.491 216.641 224.019 1.00 0.00 C +ATOM 4 CA ARG A 4 256.645 215.447 222.245 1.00 0.00 C +ATOM 5 CA GLU A 5 257.385 212.917 219.495 1.00 0.00 C +ATOM 6 CA ASP A 6 256.113 211.326 216.275 1.00 0.00 C +ATOM 7 CA GLU A 7 255.092 207.681 216.713 1.00 0.00 C +ATOM 8 CA GLU A 8 251.835 205.729 217.024 1.00 0.00 C +ATOM 9 CA GLU A 9 249.741 204.818 213.974 1.00 0.00 C +ATOM 10 CA VAL A 10 246.660 206.589 212.602 1.00 0.00 C +ATOM 11 CA ASP A 11 243.640 208.912 212.550 1.00 0.00 C +ATOM 12 CA ALA A 12 242.916 212.638 212.875 1.00 0.00 C +ATOM 13 CA GLY A 13 243.829 214.930 215.778 1.00 0.00 C +ATOM 14 CA LYS A 14 244.078 215.415 219.549 1.00 0.00 C +ATOM 15 CA PRO A 15 241.675 216.980 222.057 1.00 0.00 C +ATOM 16 CA ILE A 16 238.048 218.147 222.084 1.00 0.00 C +ATOM 17 CA VAL A 17 234.352 218.607 222.884 1.00 0.00 C +ATOM 18 CA VAL A 18 231.997 218.932 225.861 1.00 0.00 C +ATOM 19 CA THR A 19 232.607 216.014 228.234 1.00 0.00 C +ATOM 20 CA ALA A 20 235.274 215.196 230.829 1.00 0.00 C +ATOM 21 CA PRO A 21 238.566 216.004 229.091 1.00 0.00 C +ATOM 22 CA ALA A 22 241.147 218.681 229.921 1.00 0.00 C +ATOM 23 CA ALA A 23 243.364 221.184 228.095 1.00 0.00 C +ATOM 24 CA THR A 24 241.055 224.069 227.166 1.00 0.00 C +ATOM 25 CA SER A 25 237.467 224.120 228.446 1.00 0.00 C +ATOM 26 CA PRO A 26 234.370 225.445 230.226 1.00 0.00 C +ATOM 27 CA ILE A 27 235.057 227.905 233.053 1.00 0.00 C +ATOM 28 CA ARG A 28 235.163 228.093 236.857 1.00 0.00 C +ATOM 29 CA GLN A 29 237.208 225.161 238.175 1.00 0.00 C +ATOM 30 CA PRO A 30 239.348 226.049 241.199 1.00 0.00 C +ATOM 31 CA PRO A 31 238.500 229.513 242.541 1.00 0.00 C +ATOM 32 CA PRO A 32 238.093 231.337 245.861 1.00 0.00 C +ATOM 33 CA VAL A 33 239.243 229.977 249.229 1.00 0.00 C +ATOM 34 CA ILE A 34 239.352 232.817 251.767 1.00 0.00 C +ATOM 35 CA GLN A 35 242.941 233.029 253.028 1.00 0.00 C +ATOM 36 CA PRO A 36 244.104 231.332 256.235 1.00 0.00 C +ATOM 37 CA ALA A 37 242.590 230.815 259.693 1.00 0.00 C +ATOM 38 CA PRO A 38 241.363 229.300 262.966 1.00 0.00 C +ATOM 39 CA ARG A 39 239.824 231.357 265.779 1.00 0.00 C +ATOM 40 CA THR A 40 239.563 233.087 269.164 1.00 0.00 C +ATOM 41 CA THR A 41 242.497 235.437 269.784 1.00 0.00 C +ATOM 42 CA ALA A 42 246.019 234.451 270.854 1.00 0.00 C +ATOM 43 CA PRO A 43 248.248 237.095 272.454 1.00 0.00 C +ATOM 44 CA MET A 44 251.649 237.698 270.846 1.00 0.00 C +ATOM 45 CA LEU A 45 251.767 240.167 267.946 1.00 0.00 C +ATOM 46 CA ASN A 46 249.821 241.782 265.097 1.00 0.00 C +ATOM 47 CA PRO A 47 246.259 242.828 265.955 1.00 0.00 C +ATOM 48 CA ILE A 48 245.112 244.738 269.045 1.00 0.00 C +ATOM 49 CA PHE A 49 244.266 246.850 272.101 1.00 0.00 C +ATOM 50 CA THR A 50 246.897 248.882 273.963 1.00 0.00 C +ATOM 51 CA PRO A 51 246.048 251.573 276.523 1.00 0.00 C +ATOM 52 CA ALA A 52 246.020 252.930 280.083 1.00 0.00 C +ATOM 53 CA THR A 53 247.642 256.230 281.082 1.00 0.00 C +ATOM 54 CA THR A 54 246.474 258.583 283.841 1.00 0.00 C +ATOM 55 CA GLN A 55 242.828 259.018 284.860 1.00 0.00 C +ATOM 56 CA PRO A 56 241.610 261.727 287.245 1.00 0.00 C +ATOM 57 CA ALA A 57 239.355 264.343 285.637 1.00 0.00 C +ATOM 58 CA THR A 58 238.730 267.850 286.988 1.00 0.00 C +ATOM 59 CA LYS A 59 238.065 270.636 284.474 1.00 0.00 C +ATOM 60 CA PRO A 60 239.223 272.495 281.357 1.00 0.00 C +ATOM 61 CA VAL A 61 240.558 274.773 278.610 1.00 0.00 C +ATOM 62 CA SER A 62 242.760 273.228 275.913 1.00 0.00 C +ATOM 63 CA GLN A 63 245.749 272.704 273.609 1.00 0.00 C +ATOM 64 CA VAL A 64 248.233 274.264 271.177 1.00 0.00 C +ATOM 65 CA SER A 65 248.836 277.679 269.599 1.00 0.00 C +ATOM 66 CA GLY A 66 246.596 280.095 267.685 1.00 0.00 C +ATOM 67 CA PRO A 67 245.528 280.488 264.049 1.00 0.00 C +ATOM 68 CA GLN A 68 247.257 278.992 261.001 1.00 0.00 C +ATOM 69 CA LEU A 69 245.476 278.024 257.774 1.00 0.00 C +ATOM 70 CA GLN A 70 244.120 281.074 255.938 1.00 0.00 C +ATOM 71 CA THR A 71 245.831 284.406 255.244 1.00 0.00 C +ATOM 72 CA PHE A 72 248.948 284.893 257.380 1.00 0.00 C +ATOM 73 CA GLY A 73 252.239 283.612 258.812 1.00 0.00 C +ATOM 74 CA THR A 74 255.529 282.276 260.192 1.00 0.00 C +ATOM 75 CA TYR A 75 259.020 283.417 261.206 1.00 0.00 C +ATOM 76 CA GLY A 76 261.132 286.588 261.187 1.00 0.00 C +ATOM 77 CA SER A 77 260.614 289.575 258.880 1.00 0.00 C +ATOM 78 CA GLU A 78 263.669 289.567 256.604 1.00 0.00 C +ATOM 79 CA ASP A 79 263.252 286.754 254.069 1.00 0.00 C +ATOM 80 CA ALA A 80 263.406 286.920 250.266 1.00 0.00 C +ATOM 81 CA SER A 81 265.325 290.055 249.261 1.00 0.00 C +ATOM 82 CA PRO A 82 268.421 290.963 247.235 1.00 0.00 C +ATOM 83 CA SER A 83 270.764 293.665 245.922 1.00 0.00 C +ATOM 84 CA ASN A 84 273.285 295.906 247.694 1.00 0.00 C +ATOM 85 CA SER A 85 276.719 296.360 246.108 1.00 0.00 C +ATOM 86 CA ASN A 86 278.829 297.431 243.122 1.00 0.00 C +ATOM 87 CA ALA A 87 281.937 296.594 241.084 1.00 0.00 C +ATOM 88 CA LEU A 88 285.679 297.131 241.561 1.00 0.00 C +ATOM 89 CA VAL A 89 288.164 295.323 243.814 1.00 0.00 C +ATOM 90 CA ASN A 90 291.014 292.943 244.666 1.00 0.00 C +ATOM 91 CA THR A 91 294.124 290.754 244.436 1.00 0.00 C +ATOM 92 CA ASN A 92 297.618 289.294 244.853 1.00 0.00 C +TER 93 ASN A 92 +END diff --git a/Viruses/Q38IM8/Q38IM8.dcd b/Viruses/Q38IM8/Q38IM8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..600889829b433a5c3b56d406f9a83315db897f9d --- /dev/null +++ b/Viruses/Q38IM8/Q38IM8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:802efac6b6e61e59f296ba0cc70dff0c8aee72f0b321db772575a96cf61259ba +size 9920276 diff --git a/Viruses/Q38IM8/top.pdb b/Viruses/Q38IM8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5e8403c3e2f67d4f630094318f8b635881df7224 --- /dev/null +++ b/Viruses/Q38IM8/top.pdb @@ -0,0 +1,80 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ILE A 1 229.490 216.358 274.740 1.00 0.00 C +ATOM 2 CA ALA A 2 230.709 219.165 272.470 1.00 0.00 C +ATOM 3 CA ASP A 3 233.325 219.597 269.733 1.00 0.00 C +ATOM 4 CA ILE A 4 233.427 221.857 266.668 1.00 0.00 C +ATOM 5 CA ILE A 5 231.378 225.006 267.300 1.00 0.00 C +ATOM 6 CA LYS A 6 228.121 224.085 269.050 1.00 0.00 C +ATOM 7 CA GLU A 7 224.427 224.979 268.786 1.00 0.00 C +ATOM 8 CA ALA A 8 221.974 225.724 265.967 1.00 0.00 C +ATOM 9 CA LYS A 9 219.275 228.304 265.212 1.00 0.00 C +ATOM 10 CA GLY A 10 220.354 231.557 263.546 1.00 0.00 C +ATOM 11 CA LYS A 11 221.889 234.991 264.156 1.00 0.00 C +ATOM 12 CA ALA A 12 219.590 237.429 262.343 1.00 0.00 C +ATOM 13 CA ALA A 13 219.373 238.913 258.841 1.00 0.00 C +ATOM 14 CA GLU A 14 219.981 242.658 259.186 1.00 0.00 C +ATOM 15 CA MET A 15 223.755 243.181 259.239 1.00 0.00 C +ATOM 16 CA MET A 16 225.393 239.809 258.560 1.00 0.00 C +ATOM 17 CA GLU A 17 228.413 240.493 256.340 1.00 0.00 C +ATOM 18 CA GLU A 18 230.347 238.476 253.751 1.00 0.00 C +ATOM 19 CA GLU A 19 230.889 234.985 255.178 1.00 0.00 C +ATOM 20 CA MET A 20 232.461 235.467 258.615 1.00 0.00 C +ATOM 21 CA SER A 21 235.212 237.795 259.850 1.00 0.00 C +ATOM 22 CA GLN A 22 236.212 241.042 258.126 1.00 0.00 C +ATOM 23 CA ARG A 23 239.696 241.866 259.429 1.00 0.00 C +ATOM 24 CA SER A 24 241.801 243.787 256.900 1.00 0.00 C +ATOM 25 CA LYS A 25 243.783 246.167 254.681 1.00 0.00 C +ATOM 26 CA ILE A 26 242.082 249.406 253.618 1.00 0.00 C +ATOM 27 CA GLY A 27 239.562 251.326 255.734 1.00 0.00 C +ATOM 28 CA ASN A 28 238.390 254.937 255.408 1.00 0.00 C +ATOM 29 CA GLY A 29 239.213 256.312 251.952 1.00 0.00 C +ATOM 30 CA SER A 30 239.341 254.029 248.904 1.00 0.00 C +ATOM 31 CA VAL A 31 242.416 253.949 246.656 1.00 0.00 C +ATOM 32 CA LYS A 32 242.814 251.288 243.958 1.00 0.00 C +ATOM 33 CA LEU A 33 245.091 251.307 240.903 1.00 0.00 C +ATOM 34 CA THR A 34 248.406 249.605 240.109 1.00 0.00 C +ATOM 35 CA GLU A 35 248.788 246.117 238.623 1.00 0.00 C +ATOM 36 CA LYS A 36 246.884 243.430 240.537 1.00 0.00 C +ATOM 37 CA ALA A 37 243.745 242.615 238.538 1.00 0.00 C +ATOM 38 CA LYS A 38 240.339 241.772 237.052 1.00 0.00 C +ATOM 39 CA GLU A 39 236.842 243.268 237.281 1.00 0.00 C +ATOM 40 CA LEU A 40 234.154 245.966 237.200 1.00 0.00 C +ATOM 41 CA ASN A 41 234.926 248.462 234.427 1.00 0.00 C +ATOM 42 CA LYS A 42 233.657 250.908 231.796 1.00 0.00 C +ATOM 43 CA ILE A 43 236.350 253.049 230.159 1.00 0.00 C +ATOM 44 CA VAL A 44 239.145 255.213 231.582 1.00 0.00 C +ATOM 45 CA GLU A 45 242.166 257.479 232.087 1.00 0.00 C +ATOM 46 CA ASP A 46 242.874 258.579 235.665 1.00 0.00 C +ATOM 47 CA GLU A 47 246.158 258.241 237.566 1.00 0.00 C +ATOM 48 CA SER A 48 249.200 256.942 239.456 1.00 0.00 C +ATOM 49 CA THR A 49 251.547 258.589 241.965 1.00 0.00 C +ATOM 50 CA SER A 50 254.456 261.045 241.813 1.00 0.00 C +ATOM 51 CA GLY A 51 257.035 263.163 243.652 1.00 0.00 C +ATOM 52 CA GLU A 52 260.744 262.659 244.359 1.00 0.00 C +ATOM 53 CA SER A 53 263.280 261.041 246.697 1.00 0.00 C +ATOM 54 CA GLU A 54 266.736 262.592 246.291 1.00 0.00 C +ATOM 55 CA GLU A 55 269.951 260.592 245.866 1.00 0.00 C +ATOM 56 CA GLU A 56 273.272 260.151 244.052 1.00 0.00 C +ATOM 57 CA GLU A 57 274.944 257.149 245.698 1.00 0.00 C +ATOM 58 CA GLU A 58 277.995 255.161 244.578 1.00 0.00 C +ATOM 59 CA PRO A 59 277.531 253.705 241.088 1.00 0.00 C +ATOM 60 CA LYS A 60 280.704 253.415 238.999 1.00 0.00 C +ATOM 61 CA ASP A 61 280.358 255.765 236.020 1.00 0.00 C +ATOM 62 CA ILE A 62 278.361 258.955 236.617 1.00 0.00 C +ATOM 63 CA GLN A 63 277.028 262.451 235.900 1.00 0.00 C +ATOM 64 CA ASP A 64 276.952 265.619 238.015 1.00 0.00 C +ATOM 65 CA ASN A 65 275.388 266.529 241.368 1.00 0.00 C +ATOM 66 CA SER A 66 275.294 267.742 244.978 1.00 0.00 C +ATOM 67 CA GLN A 67 274.844 265.427 247.971 1.00 0.00 C +ATOM 68 CA GLU A 68 276.434 266.593 251.231 1.00 0.00 C +ATOM 69 CA ASP A 69 279.061 264.815 253.341 1.00 0.00 C +ATOM 70 CA ASP A 70 281.119 267.491 255.108 1.00 0.00 C +ATOM 71 CA ILE A 71 283.937 269.645 253.718 1.00 0.00 C +ATOM 72 CA TYR A 72 286.950 271.760 252.734 1.00 0.00 C +ATOM 73 CA GLN A 73 288.489 273.481 255.765 1.00 0.00 C +ATOM 74 CA LEU A 74 291.262 274.591 258.130 1.00 0.00 C +ATOM 75 CA ILE A 75 294.544 276.400 258.816 1.00 0.00 C +ATOM 76 CA MET A 76 297.966 275.584 257.354 1.00 0.00 C +TER 77 MET A 76 +END diff --git a/Viruses/Q38IP7/Q38IP7.dcd b/Viruses/Q38IP7/Q38IP7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a4fa4354ca26d730dd409837733c0565ec052e56 --- /dev/null +++ b/Viruses/Q38IP7/Q38IP7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fc285dceaad68ba2606bad36cac6f835020b03343368160bca1bd0c80cdf9558 +size 9920276 diff --git a/Viruses/Q38IP7/top.pdb b/Viruses/Q38IP7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8de1123baadbcfb691f5866ed1d2fcecd9718fb8 --- /dev/null +++ b/Viruses/Q38IP7/top.pdb @@ -0,0 +1,80 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ILE A 1 259.769 274.884 290.181 1.00 0.00 C +ATOM 2 CA ALA A 2 259.668 275.771 286.477 1.00 0.00 C +ATOM 3 CA GLU A 3 260.922 273.806 283.463 1.00 0.00 C +ATOM 4 CA ILE A 4 258.541 271.377 281.746 1.00 0.00 C +ATOM 5 CA ILE A 5 258.706 269.761 278.300 1.00 0.00 C +ATOM 6 CA LYS A 6 258.190 270.035 274.535 1.00 0.00 C +ATOM 7 CA GLU A 7 256.868 273.310 273.105 1.00 0.00 C +ATOM 8 CA ALA A 8 254.642 272.313 270.178 1.00 0.00 C +ATOM 9 CA LYS A 9 253.325 271.930 266.623 1.00 0.00 C +ATOM 10 CA GLY A 10 254.094 268.388 265.446 1.00 0.00 C +ATOM 11 CA LYS A 11 253.757 264.934 267.017 1.00 0.00 C +ATOM 12 CA ALA A 12 251.134 264.863 269.779 1.00 0.00 C +ATOM 13 CA ALA A 13 249.904 261.870 271.791 1.00 0.00 C +ATOM 14 CA GLU A 14 249.304 261.360 275.519 1.00 0.00 C +ATOM 15 CA MET A 15 252.292 259.477 276.946 1.00 0.00 C +ATOM 16 CA MET A 16 251.437 256.444 279.087 1.00 0.00 C +ATOM 17 CA GLU A 17 252.639 252.829 279.131 1.00 0.00 C +ATOM 18 CA GLU A 18 254.510 249.939 277.499 1.00 0.00 C +ATOM 19 CA GLU A 19 257.898 248.521 278.515 1.00 0.00 C +ATOM 20 CA MET A 20 261.118 247.991 276.549 1.00 0.00 C +ATOM 21 CA ASN A 21 263.860 249.163 278.920 1.00 0.00 C +ATOM 22 CA GLN A 22 267.320 249.147 277.324 1.00 0.00 C +ATOM 23 CA LYS A 23 268.760 246.095 275.555 1.00 0.00 C +ATOM 24 CA SER A 24 265.783 244.263 274.039 1.00 0.00 C +ATOM 25 CA LYS A 25 266.801 240.659 273.333 1.00 0.00 C +ATOM 26 CA ILE A 26 267.292 239.616 269.701 1.00 0.00 C +ATOM 27 CA GLY A 27 265.881 242.009 267.094 1.00 0.00 C +ATOM 28 CA ASN A 28 264.099 242.533 263.768 1.00 0.00 C +ATOM 29 CA GLY A 29 264.786 240.391 260.692 1.00 0.00 C +ATOM 30 CA SER A 30 261.804 240.801 258.356 1.00 0.00 C +ATOM 31 CA VAL A 31 259.540 243.803 257.741 1.00 0.00 C +ATOM 32 CA LYS A 32 257.366 243.257 254.660 1.00 0.00 C +ATOM 33 CA LEU A 33 259.496 241.868 251.822 1.00 0.00 C +ATOM 34 CA THR A 34 262.160 239.464 250.541 1.00 0.00 C +ATOM 35 CA GLU A 35 265.187 241.591 249.630 1.00 0.00 C +ATOM 36 CA LYS A 36 266.063 244.002 246.813 1.00 0.00 C +ATOM 37 CA ALA A 37 263.632 245.839 244.526 1.00 0.00 C +ATOM 38 CA LYS A 38 263.656 245.007 240.808 1.00 0.00 C +ATOM 39 CA GLU A 39 262.147 241.763 239.498 1.00 0.00 C +ATOM 40 CA LEU A 40 261.106 239.389 242.290 1.00 0.00 C +ATOM 41 CA ASN A 41 257.469 238.388 242.831 1.00 0.00 C +ATOM 42 CA LYS A 42 255.633 237.390 239.645 1.00 0.00 C +ATOM 43 CA ILE A 43 256.002 233.670 238.910 1.00 0.00 C +ATOM 44 CA VAL A 44 256.312 230.254 240.568 1.00 0.00 C +ATOM 45 CA GLU A 45 253.879 227.377 240.000 1.00 0.00 C +ATOM 46 CA ASP A 46 253.561 226.111 236.420 1.00 0.00 C +ATOM 47 CA GLU A 47 253.110 227.304 232.830 1.00 0.00 C +ATOM 48 CA SER A 48 249.686 226.626 231.303 1.00 0.00 C +ATOM 49 CA THR A 49 245.916 227.124 231.057 1.00 0.00 C +ATOM 50 CA SER A 50 242.797 225.408 232.414 1.00 0.00 C +ATOM 51 CA GLY A 51 240.611 224.516 229.424 1.00 0.00 C +ATOM 52 CA GLU A 52 237.253 226.163 230.152 1.00 0.00 C +ATOM 53 CA SER A 53 233.799 227.423 229.154 1.00 0.00 C +ATOM 54 CA GLU A 54 232.319 230.930 229.319 1.00 0.00 C +ATOM 55 CA GLU A 55 229.160 232.641 228.053 1.00 0.00 C +ATOM 56 CA GLU A 56 226.112 232.450 230.332 1.00 0.00 C +ATOM 57 CA GLU A 57 225.090 234.004 233.657 1.00 0.00 C +ATOM 58 CA GLU A 58 223.434 237.407 234.098 1.00 0.00 C +ATOM 59 CA PRO A 59 222.392 240.822 232.769 1.00 0.00 C +ATOM 60 CA LYS A 60 223.686 244.256 231.743 1.00 0.00 C +ATOM 61 CA GLU A 61 223.376 246.253 228.513 1.00 0.00 C +ATOM 62 CA THR A 62 226.660 248.115 227.999 1.00 0.00 C +ATOM 63 CA GLN A 63 227.189 249.460 224.473 1.00 0.00 C +ATOM 64 CA ASP A 64 230.551 251.246 224.317 1.00 0.00 C +ATOM 65 CA ASN A 65 232.600 254.125 225.741 1.00 0.00 C +ATOM 66 CA ASN A 66 233.200 257.088 228.060 1.00 0.00 C +ATOM 67 CA GLN A 67 234.560 260.601 228.629 1.00 0.00 C +ATOM 68 CA GLY A 68 236.299 262.908 226.146 1.00 0.00 C +ATOM 69 CA GLU A 69 237.780 265.308 223.584 1.00 0.00 C +ATOM 70 CA ASP A 70 241.210 266.568 224.662 1.00 0.00 C +ATOM 71 CA ILE A 71 244.076 268.512 226.252 1.00 0.00 C +ATOM 72 CA TYR A 72 243.642 272.166 227.238 1.00 0.00 C +ATOM 73 CA GLN A 73 246.438 274.585 226.317 1.00 0.00 C +ATOM 74 CA LEU A 74 246.645 277.684 228.524 1.00 0.00 C +ATOM 75 CA ILE A 75 244.883 281.055 228.740 1.00 0.00 C +ATOM 76 CA MET A 76 247.215 283.599 227.125 1.00 0.00 C +TER 77 MET A 76 +END diff --git a/Viruses/Q3C1Z8/Q3C1Z8.dcd b/Viruses/Q3C1Z8/Q3C1Z8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..fe67dd34b09358f06ce2fc07438318ec0235c21e --- /dev/null +++ b/Viruses/Q3C1Z8/Q3C1Z8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:92dc559322bbd2c7852b619ff95564a681273a507bd786391b08e7dadf661073 +size 4520276 diff --git a/Viruses/Q3C1Z8/top.pdb b/Viruses/Q3C1Z8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f05bbf81cfd55a36f01bf945d9a4128f776f278c --- /dev/null +++ b/Viruses/Q3C1Z8/top.pdb @@ -0,0 +1,35 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 257.499 240.585 265.342 1.00 0.00 C +ATOM 2 CA THR A 2 257.067 237.880 267.990 1.00 0.00 C +ATOM 3 CA MET A 3 259.129 236.468 270.865 1.00 0.00 C +ATOM 4 CA ARG A 4 262.624 236.239 272.365 1.00 0.00 C +ATOM 5 CA ASP A 5 265.966 237.804 271.417 1.00 0.00 C +ATOM 6 CA ASP A 6 267.737 240.288 269.134 1.00 0.00 C +ATOM 7 CA VAL A 7 265.606 241.230 266.120 1.00 0.00 C +ATOM 8 CA PRO A 8 263.525 240.826 262.954 1.00 0.00 C +ATOM 9 CA LEU A 9 260.956 242.511 260.700 1.00 0.00 C +ATOM 10 CA LEU A 10 260.442 246.060 261.988 1.00 0.00 C +ATOM 11 CA ASP A 11 260.511 248.373 258.961 1.00 0.00 C +ATOM 12 CA ARG A 12 258.847 250.406 256.202 1.00 0.00 C +ATOM 13 CA GLU A 13 258.399 254.185 256.387 1.00 0.00 C +ATOM 14 CA LEU A 14 255.708 256.363 254.795 1.00 0.00 C +ATOM 15 CA VAL A 15 255.249 254.980 251.274 1.00 0.00 C +ATOM 16 CA ASP A 16 253.403 256.941 248.579 1.00 0.00 C +ATOM 17 CA GLU A 17 251.873 254.753 245.861 1.00 0.00 C +ATOM 18 CA ALA A 18 249.545 251.786 245.313 1.00 0.00 C +ATOM 19 CA ALA A 19 246.073 252.467 243.899 1.00 0.00 C +ATOM 20 CA PHE A 20 243.501 252.867 241.117 1.00 0.00 C +ATOM 21 CA GLY A 21 243.638 252.252 237.359 1.00 0.00 C +ATOM 22 CA GLY A 22 242.487 248.917 235.923 1.00 0.00 C +ATOM 23 CA GLU A 23 239.120 248.623 234.164 1.00 0.00 C +ATOM 24 CA ASP A 24 236.192 249.262 236.516 1.00 0.00 C +ATOM 25 CA GLY A 25 232.852 250.996 235.920 1.00 0.00 C +ATOM 26 CA GLU A 26 233.493 254.267 234.074 1.00 0.00 C +ATOM 27 CA LEU A 27 232.503 257.927 234.443 1.00 0.00 C +ATOM 28 CA PRO A 28 230.984 261.256 235.506 1.00 0.00 C +ATOM 29 CA LEU A 29 232.642 264.118 233.614 1.00 0.00 C +ATOM 30 CA GLU A 30 236.024 263.407 232.011 1.00 0.00 C +ATOM 31 CA GLU A 31 236.407 265.961 229.210 1.00 0.00 C +TER 32 GLU A 31 +END diff --git a/Viruses/Q3C203/Q3C203.dcd b/Viruses/Q3C203/Q3C203.dcd new file mode 100644 index 0000000000000000000000000000000000000000..533e70f00fc9c2bb561178be69140625b5cd4cd7 --- /dev/null +++ b/Viruses/Q3C203/Q3C203.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:765b5d2f5d73d17bdb56f5e776686dca8ad48c9b8c46ffa5806a4a5bb52c9666 +size 14240276 diff --git a/Viruses/Q3C203/top.pdb b/Viruses/Q3C203/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..dccf7f84b6c1d7a49f225b1dcf73b0c1e4f981a6 --- /dev/null +++ b/Viruses/Q3C203/top.pdb @@ -0,0 +1,116 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 233.735 244.831 239.563 1.00 0.00 C +ATOM 2 CA ALA A 2 235.988 246.642 242.045 1.00 0.00 C +ATOM 3 CA ALA A 3 238.836 248.020 239.922 1.00 0.00 C +ATOM 4 CA ALA A 4 240.467 249.454 236.792 1.00 0.00 C +ATOM 5 CA VAL A 5 240.176 250.228 233.073 1.00 0.00 C +ATOM 6 CA ALA A 6 237.300 251.753 231.092 1.00 0.00 C +ATOM 7 CA PRO A 7 234.255 251.869 228.806 1.00 0.00 C +ATOM 8 CA ASP A 8 232.608 255.237 229.488 1.00 0.00 C +ATOM 9 CA THR A 9 232.649 258.932 230.415 1.00 0.00 C +ATOM 10 CA LYS A 10 234.408 261.946 231.946 1.00 0.00 C +ATOM 11 CA ARG A 11 238.200 261.965 232.308 1.00 0.00 C +ATOM 12 CA PRO A 12 239.980 260.785 229.152 1.00 0.00 C +ATOM 13 CA SER A 13 241.000 258.184 226.562 1.00 0.00 C +ATOM 14 CA PRO A 14 239.040 255.070 225.572 1.00 0.00 C +ATOM 15 CA THR A 15 237.327 255.090 222.168 1.00 0.00 C +ATOM 16 CA THR A 16 235.869 251.613 221.624 1.00 0.00 C +ATOM 17 CA THR A 17 236.764 247.930 222.019 1.00 0.00 C +ATOM 18 CA ASP A 18 238.725 246.223 224.804 1.00 0.00 C +ATOM 19 CA PRO A 19 241.618 244.694 226.755 1.00 0.00 C +ATOM 20 CA ALA A 20 242.969 241.510 228.353 1.00 0.00 C +ATOM 21 CA CYS A 21 243.881 242.091 232.006 1.00 0.00 C +ATOM 22 CA VAL A 22 246.097 243.359 234.834 1.00 0.00 C +ATOM 23 CA SER A 23 248.946 241.351 236.373 1.00 0.00 C +ATOM 24 CA GLU A 24 248.105 237.906 237.766 1.00 0.00 C +ATOM 25 CA ASN A 25 248.906 236.262 241.108 1.00 0.00 C +ATOM 26 CA PRO A 26 248.416 233.495 243.681 1.00 0.00 C +ATOM 27 CA PRO A 27 245.117 231.859 244.660 1.00 0.00 C +ATOM 28 CA ARG A 28 244.843 231.637 248.453 1.00 0.00 C +ATOM 29 CA ARG A 29 247.074 229.854 250.976 1.00 0.00 C +ATOM 30 CA PRO A 30 250.730 230.513 250.130 1.00 0.00 C +ATOM 31 CA ARG A 31 251.669 234.108 250.977 1.00 0.00 C +ATOM 32 CA PRO A 32 253.842 237.181 251.568 1.00 0.00 C +ATOM 33 CA ASN A 33 256.335 237.458 248.700 1.00 0.00 C +ATOM 34 CA SER A 34 256.278 239.431 245.442 1.00 0.00 C +ATOM 35 CA LEU A 35 258.801 238.425 242.770 1.00 0.00 C +ATOM 36 CA ASN A 36 257.634 238.832 239.166 1.00 0.00 C +ATOM 37 CA LEU A 37 259.840 237.592 236.317 1.00 0.00 C +ATOM 38 CA ALA A 38 260.910 239.043 232.961 1.00 0.00 C +ATOM 39 CA ILE A 39 258.882 241.519 230.894 1.00 0.00 C +ATOM 40 CA VAL A 40 257.186 243.957 228.507 1.00 0.00 C +ATOM 41 CA PHE A 41 257.321 244.921 224.824 1.00 0.00 C +ATOM 42 CA GLY A 42 255.087 247.922 224.104 1.00 0.00 C +ATOM 43 CA PRO A 43 255.531 251.604 224.977 1.00 0.00 C +ATOM 44 CA HIS A 44 254.565 252.579 228.532 1.00 0.00 C +ATOM 45 CA PRO A 45 253.440 253.671 232.004 1.00 0.00 C +ATOM 46 CA PRO A 46 250.691 253.516 234.638 1.00 0.00 C +ATOM 47 CA ARG A 47 250.431 252.591 238.325 1.00 0.00 C +ATOM 48 CA PRO A 48 250.338 250.210 241.297 1.00 0.00 C +ATOM 49 CA THR A 49 251.451 247.760 243.995 1.00 0.00 C +ATOM 50 CA SER A 50 250.793 246.334 247.466 1.00 0.00 C +ATOM 51 CA PRO A 51 253.941 244.552 248.664 1.00 0.00 C +ATOM 52 CA GLY A 52 256.968 245.715 246.664 1.00 0.00 C +ATOM 53 CA ALA A 53 260.118 247.164 245.083 1.00 0.00 C +ATOM 54 CA PRO A 54 259.963 250.968 244.951 1.00 0.00 C +ATOM 55 CA CYS A 55 258.616 254.496 245.457 1.00 0.00 C +ATOM 56 CA SER A 56 261.094 257.318 244.816 1.00 0.00 C +ATOM 57 CA HIS A 57 262.658 260.057 242.678 1.00 0.00 C +ATOM 58 CA SER A 58 261.341 263.419 243.894 1.00 0.00 C +ATOM 59 CA PRO A 59 258.958 263.725 246.852 1.00 0.00 C +ATOM 60 CA GLN A 60 255.220 263.868 246.131 1.00 0.00 C +ATOM 61 CA SER A 61 251.690 265.058 245.331 1.00 0.00 C +ATOM 62 CA PRO A 62 248.497 263.539 246.751 1.00 0.00 C +ATOM 63 CA PRO A 63 245.637 262.212 248.891 1.00 0.00 C +ATOM 64 CA ARG A 64 243.779 259.283 247.317 1.00 0.00 C +ATOM 65 CA GLY A 65 240.567 257.639 248.542 1.00 0.00 C +ATOM 66 CA GLN A 66 238.233 254.796 249.537 1.00 0.00 C +ATOM 67 CA LEU A 67 236.552 252.049 251.573 1.00 0.00 C +ATOM 68 CA ASP A 68 236.117 250.981 255.204 1.00 0.00 C +ATOM 69 CA GLY A 69 235.729 251.605 258.942 1.00 0.00 C +ATOM 70 CA GLY A 70 238.879 252.582 260.851 1.00 0.00 C +ATOM 71 CA ALA A 71 239.590 256.324 260.759 1.00 0.00 C +ATOM 72 CA PRO A 72 242.319 258.048 258.735 1.00 0.00 C +ATOM 73 CA GLY A 73 245.709 256.504 257.938 1.00 0.00 C +ATOM 74 CA GLU A 74 246.598 253.368 255.964 1.00 0.00 C +ATOM 75 CA LYS A 75 249.587 251.085 256.568 1.00 0.00 C +ATOM 76 CA ALA A 76 250.970 248.477 254.160 1.00 0.00 C +ATOM 77 CA ARG A 77 250.554 244.691 254.064 1.00 0.00 C +ATOM 78 CA PRO A 78 247.929 243.624 256.611 1.00 0.00 C +ATOM 79 CA ALA A 79 248.997 242.733 260.158 1.00 0.00 C +ATOM 80 CA SER A 80 246.409 244.223 262.524 1.00 0.00 C +ATOM 81 CA PRO A 81 242.745 244.600 263.499 1.00 0.00 C +ATOM 82 CA ALA A 82 239.562 244.983 261.440 1.00 0.00 C +ATOM 83 CA LEU A 83 237.535 242.051 260.094 1.00 0.00 C +ATOM 84 CA SER A 84 234.931 240.618 262.478 1.00 0.00 C +ATOM 85 CA GLU A 85 233.247 242.991 264.937 1.00 0.00 C +ATOM 86 CA ALA A 86 232.472 245.617 267.586 1.00 0.00 C +ATOM 87 CA SER A 87 234.438 248.563 268.991 1.00 0.00 C +ATOM 88 CA SER A 88 233.065 251.921 267.827 1.00 0.00 C +ATOM 89 CA GLY A 89 236.049 253.934 266.580 1.00 0.00 C +ATOM 90 CA PRO A 90 238.853 254.165 269.149 1.00 0.00 C +ATOM 91 CA PRO A 91 241.514 256.693 268.126 1.00 0.00 C +ATOM 92 CA THR A 92 243.400 257.791 271.249 1.00 0.00 C +ATOM 93 CA PRO A 93 246.507 259.995 271.285 1.00 0.00 C +ATOM 94 CA ASP A 94 250.049 260.003 272.690 1.00 0.00 C +ATOM 95 CA ILE A 95 252.472 261.481 275.231 1.00 0.00 C +ATOM 96 CA PRO A 96 253.251 264.023 277.961 1.00 0.00 C +ATOM 97 CA LEU A 97 256.684 264.365 279.576 1.00 0.00 C +ATOM 98 CA SER A 98 259.781 263.035 277.798 1.00 0.00 C +ATOM 99 CA PRO A 99 259.714 259.261 277.275 1.00 0.00 C +ATOM 100 CA GLY A 100 263.057 257.946 276.006 1.00 0.00 C +ATOM 101 CA GLY A 101 265.664 256.673 273.537 1.00 0.00 C +ATOM 102 CA SER A 102 267.666 256.531 270.298 1.00 0.00 C +ATOM 103 CA HIS A 103 271.106 255.429 269.086 1.00 0.00 C +ATOM 104 CA ALA A 104 273.858 254.990 266.489 1.00 0.00 C +ATOM 105 CA THR A 105 277.008 252.961 265.797 1.00 0.00 C +ATOM 106 CA THR A 106 278.669 250.329 267.995 1.00 0.00 C +ATOM 107 CA GLY A 107 278.072 247.470 270.441 1.00 0.00 C +ATOM 108 CA LEU A 108 279.524 247.770 273.951 1.00 0.00 C +ATOM 109 CA GLY A 109 279.105 249.208 277.454 1.00 0.00 C +ATOM 110 CA PRO A 110 281.271 247.300 279.940 1.00 0.00 C +ATOM 111 CA VAL A 111 280.263 247.696 283.593 1.00 0.00 C +ATOM 112 CA PRO A 112 280.199 250.549 286.118 1.00 0.00 C +TER 113 PRO A 112 +END diff --git a/Viruses/Q3HNZ7/Q3HNZ7.dcd b/Viruses/Q3HNZ7/Q3HNZ7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..08e62f651c68ed3b3be94a5a70b025d2dea449a8 --- /dev/null +++ b/Viruses/Q3HNZ7/Q3HNZ7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:968e051304a8f76414b73b2f96c2c8c2e5df69e1b98029d4d82dae79b85f04df +size 8960276 diff --git a/Viruses/Q3HNZ7/top.pdb b/Viruses/Q3HNZ7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..13d293f0951c6a0a14b335619ff66642463e2b6a --- /dev/null +++ b/Viruses/Q3HNZ7/top.pdb @@ -0,0 +1,72 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA PHE A 1 283.377 258.686 266.210 1.00 0.00 C +ATOM 2 CA LEU A 2 283.051 255.502 264.144 1.00 0.00 C +ATOM 3 CA GLY A 3 280.529 254.685 261.407 1.00 0.00 C +ATOM 4 CA LYS A 4 277.880 253.221 259.094 1.00 0.00 C +ATOM 5 CA PHE A 5 279.841 252.073 256.036 1.00 0.00 C +ATOM 6 CA TRP A 6 283.291 252.678 254.536 1.00 0.00 C +ATOM 7 CA PRO A 7 285.286 254.163 251.650 1.00 0.00 C +ATOM 8 CA SER A 8 283.470 257.287 250.442 1.00 0.00 C +ATOM 9 CA ASN A 9 281.556 260.540 249.924 1.00 0.00 C +ATOM 10 CA LYS A 10 277.941 259.671 249.094 1.00 0.00 C +ATOM 11 CA GLY A 11 276.454 257.893 252.118 1.00 0.00 C +ATOM 12 CA ARG A 12 272.711 257.231 252.375 1.00 0.00 C +ATOM 13 CA PRO A 13 270.067 255.363 250.366 1.00 0.00 C +ATOM 14 CA GLY A 14 269.091 251.716 249.855 1.00 0.00 C +ATOM 15 CA ASN A 15 269.159 248.869 247.323 1.00 0.00 C +ATOM 16 CA PHE A 16 269.554 245.623 249.279 1.00 0.00 C +ATOM 17 CA PRO A 17 266.674 244.426 251.467 1.00 0.00 C +ATOM 18 CA GLN A 18 265.266 241.716 253.745 1.00 0.00 C +ATOM 19 CA SER A 19 264.214 238.798 251.532 1.00 0.00 C +ATOM 20 CA ARG A 20 265.082 235.607 249.641 1.00 0.00 C +ATOM 21 CA THR A 21 264.583 232.807 252.176 1.00 0.00 C +ATOM 22 CA GLU A 22 263.851 230.706 255.269 1.00 0.00 C +ATOM 23 CA PRO A 23 261.038 228.368 254.202 1.00 0.00 C +ATOM 24 CA THR A 24 258.488 228.597 251.380 1.00 0.00 C +ATOM 25 CA ALA A 25 254.728 228.257 251.893 1.00 0.00 C +ATOM 26 CA PRO A 26 252.624 228.421 255.065 1.00 0.00 C +ATOM 27 CA PRO A 27 249.493 226.286 255.458 1.00 0.00 C +ATOM 28 CA ALA A 28 247.439 223.396 256.853 1.00 0.00 C +ATOM 29 CA GLU A 29 244.755 223.019 259.530 1.00 0.00 C +ATOM 30 CA ASN A 30 244.393 219.301 260.278 1.00 0.00 C +ATOM 31 CA TRP A 31 242.292 216.430 258.914 1.00 0.00 C +ATOM 32 CA GLY A 32 239.208 217.083 256.775 1.00 0.00 C +ATOM 33 CA MET A 33 237.245 218.476 253.821 1.00 0.00 C +ATOM 34 CA GLY A 34 237.825 221.633 251.768 1.00 0.00 C +ATOM 35 CA GLU A 35 240.853 222.950 249.867 1.00 0.00 C +ATOM 36 CA GLU A 36 241.741 225.714 247.400 1.00 0.00 C +ATOM 37 CA ILE A 37 239.411 228.646 246.695 1.00 0.00 C +ATOM 38 CA THR A 38 238.394 229.873 250.156 1.00 0.00 C +ATOM 39 CA SER A 39 237.017 233.318 251.024 1.00 0.00 C +ATOM 40 CA LEU A 40 236.399 236.385 248.850 1.00 0.00 C +ATOM 41 CA VAL A 41 233.135 237.975 250.005 1.00 0.00 C +ATOM 42 CA LYS A 42 231.949 240.256 247.193 1.00 0.00 C +ATOM 43 CA GLN A 43 233.337 243.563 245.908 1.00 0.00 C +ATOM 44 CA GLU A 44 232.626 247.055 247.254 1.00 0.00 C +ATOM 45 CA GLN A 45 231.960 248.939 250.498 1.00 0.00 C +ATOM 46 CA LYS A 46 233.353 252.457 250.050 1.00 0.00 C +ATOM 47 CA ASP A 47 232.794 255.909 251.563 1.00 0.00 C +ATOM 48 CA ARG A 48 235.823 258.130 252.200 1.00 0.00 C +ATOM 49 CA GLU A 49 235.423 261.826 253.035 1.00 0.00 C +ATOM 50 CA LEU A 50 234.517 265.487 252.492 1.00 0.00 C +ATOM 51 CA PRO A 51 230.751 266.029 252.699 1.00 0.00 C +ATOM 52 CA PRO A 52 229.562 269.101 250.784 1.00 0.00 C +ATOM 53 CA PRO A 53 227.602 268.157 247.656 1.00 0.00 C +ATOM 54 CA SER A 54 226.125 267.514 244.204 1.00 0.00 C +ATOM 55 CA VAL A 55 224.619 269.894 241.638 1.00 0.00 C +ATOM 56 CA SER A 56 225.163 273.661 241.458 1.00 0.00 C +ATOM 57 CA LEU A 57 228.394 275.136 240.081 1.00 0.00 C +ATOM 58 CA LYS A 58 231.363 277.480 240.538 1.00 0.00 C +ATOM 59 CA SER A 59 231.450 280.863 238.789 1.00 0.00 C +ATOM 60 CA LEU A 60 234.610 282.653 237.639 1.00 0.00 C +ATOM 61 CA PHE A 61 237.556 280.375 238.444 1.00 0.00 C +ATOM 62 CA GLY A 62 240.710 278.297 237.943 1.00 0.00 C +ATOM 63 CA ASN A 63 244.046 276.463 238.111 1.00 0.00 C +ATOM 64 CA ASP A 64 247.442 275.377 239.453 1.00 0.00 C +ATOM 65 CA PRO A 65 247.174 274.185 243.062 1.00 0.00 C +ATOM 66 CA LEU A 66 243.694 274.545 244.572 1.00 0.00 C +ATOM 67 CA SER A 67 240.943 272.303 243.187 1.00 0.00 C +ATOM 68 CA GLN A 68 237.608 270.958 241.928 1.00 0.00 C +TER 69 GLN A 68 +END diff --git a/Viruses/Q3HP08/Q3HP08.dcd b/Viruses/Q3HP08/Q3HP08.dcd new file mode 100644 index 0000000000000000000000000000000000000000..816b26635196343eb0caedf2f849018b5cb901cd --- /dev/null +++ b/Viruses/Q3HP08/Q3HP08.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ffb94fea1979a2fb5ffe667737cc1c7b1eb60159febd83079af5a43f1c3bf3da +size 8960276 diff --git a/Viruses/Q3HP08/top.pdb b/Viruses/Q3HP08/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7e64e04ebcfea2b898ce5e34a1feab6e7119c09c --- /dev/null +++ b/Viruses/Q3HP08/top.pdb @@ -0,0 +1,72 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA PHE A 1 250.927 211.921 268.032 1.00 0.00 C +ATOM 2 CA LEU A 2 252.957 209.378 266.051 1.00 0.00 C +ATOM 3 CA GLY A 3 252.457 209.121 262.283 1.00 0.00 C +ATOM 4 CA LYS A 4 250.439 211.663 260.286 1.00 0.00 C +ATOM 5 CA ILE A 5 251.168 214.692 258.093 1.00 0.00 C +ATOM 6 CA TRP A 6 254.023 214.119 255.636 1.00 0.00 C +ATOM 7 CA PRO A 7 254.105 215.273 252.005 1.00 0.00 C +ATOM 8 CA SER A 8 255.390 218.585 250.628 1.00 0.00 C +ATOM 9 CA ASN A 9 258.481 220.272 252.084 1.00 0.00 C +ATOM 10 CA LYS A 10 257.427 223.633 253.537 1.00 0.00 C +ATOM 11 CA GLY A 11 253.756 224.642 253.393 1.00 0.00 C +ATOM 12 CA ARG A 12 249.987 224.276 253.815 1.00 0.00 C +ATOM 13 CA PRO A 13 248.457 223.032 250.555 1.00 0.00 C +ATOM 14 CA GLY A 14 249.101 225.673 247.886 1.00 0.00 C +ATOM 15 CA ASN A 15 249.577 225.670 244.106 1.00 0.00 C +ATOM 16 CA PHE A 16 252.524 227.648 242.721 1.00 0.00 C +ATOM 17 CA PRO A 17 253.772 231.243 242.527 1.00 0.00 C +ATOM 18 CA GLN A 18 257.455 231.820 241.742 1.00 0.00 C +ATOM 19 CA SER A 19 258.294 235.408 242.708 1.00 0.00 C +ATOM 20 CA ARG A 20 257.161 238.537 240.852 1.00 0.00 C +ATOM 21 CA PRO A 21 253.649 237.907 239.515 1.00 0.00 C +ATOM 22 CA GLU A 22 250.903 236.964 237.049 1.00 0.00 C +ATOM 23 CA PRO A 23 248.257 239.426 235.843 1.00 0.00 C +ATOM 24 CA THR A 24 247.164 241.723 238.679 1.00 0.00 C +ATOM 25 CA ALA A 25 244.826 244.343 240.158 1.00 0.00 C +ATOM 26 CA PRO A 26 245.809 245.200 243.738 1.00 0.00 C +ATOM 27 CA PRO A 27 246.178 246.440 247.322 1.00 0.00 C +ATOM 28 CA ALA A 28 249.408 247.565 249.001 1.00 0.00 C +ATOM 29 CA GLU A 29 250.318 247.328 252.694 1.00 0.00 C +ATOM 30 CA ASN A 30 253.230 248.880 254.597 1.00 0.00 C +ATOM 31 CA TRP A 31 254.322 251.898 256.651 1.00 0.00 C +ATOM 32 CA GLY A 32 257.129 253.723 254.834 1.00 0.00 C +ATOM 33 CA MET A 33 258.975 256.965 254.057 1.00 0.00 C +ATOM 34 CA GLY A 34 256.930 260.179 254.004 1.00 0.00 C +ATOM 35 CA GLU A 35 256.477 262.382 250.929 1.00 0.00 C +ATOM 36 CA GLU A 36 255.800 261.766 247.231 1.00 0.00 C +ATOM 37 CA ILE A 37 253.513 262.561 244.289 1.00 0.00 C +ATOM 38 CA THR A 38 249.867 261.463 244.168 1.00 0.00 C +ATOM 39 CA PRO A 39 246.324 260.609 245.280 1.00 0.00 C +ATOM 40 CA SER A 40 245.324 257.613 247.412 1.00 0.00 C +ATOM 41 CA LEU A 41 246.224 254.544 245.342 1.00 0.00 C +ATOM 42 CA LYS A 42 249.228 254.478 242.999 1.00 0.00 C +ATOM 43 CA GLN A 43 250.114 255.314 239.389 1.00 0.00 C +ATOM 44 CA GLU A 44 253.566 256.236 238.066 1.00 0.00 C +ATOM 45 CA GLN A 45 256.328 256.825 240.623 1.00 0.00 C +ATOM 46 CA LYS A 46 259.238 258.365 242.542 1.00 0.00 C +ATOM 47 CA ASP A 47 260.542 256.528 245.614 1.00 0.00 C +ATOM 48 CA LYS A 48 259.381 252.925 245.181 1.00 0.00 C +ATOM 49 CA GLU A 49 257.117 251.509 247.899 1.00 0.00 C +ATOM 50 CA HIS A 50 253.608 252.947 248.265 1.00 0.00 C +ATOM 51 CA PRO A 51 250.824 255.198 249.568 1.00 0.00 C +ATOM 52 CA PRO A 52 251.328 258.510 251.384 1.00 0.00 C +ATOM 53 CA PRO A 53 249.092 260.965 253.250 1.00 0.00 C +ATOM 54 CA LEU A 54 246.574 263.424 251.790 1.00 0.00 C +ATOM 55 CA VAL A 55 243.594 265.733 251.236 1.00 0.00 C +ATOM 56 CA SER A 56 240.281 267.319 252.248 1.00 0.00 C +ATOM 57 CA LEU A 57 237.394 269.781 252.590 1.00 0.00 C +ATOM 58 CA LYS A 58 238.100 273.465 253.254 1.00 0.00 C +ATOM 59 CA SER A 59 238.260 275.867 256.207 1.00 0.00 C +ATOM 60 CA LEU A 60 238.084 279.661 256.503 1.00 0.00 C +ATOM 61 CA PHE A 61 236.077 282.490 258.078 1.00 0.00 C +ATOM 62 CA GLY A 62 236.698 286.039 259.316 1.00 0.00 C +ATOM 63 CA ASN A 63 236.912 288.795 256.693 1.00 0.00 C +ATOM 64 CA ASP A 64 239.535 291.555 256.557 1.00 0.00 C +ATOM 65 CA PRO A 65 242.084 292.487 253.883 1.00 0.00 C +ATOM 66 CA LEU A 66 245.728 292.463 254.996 1.00 0.00 C +ATOM 67 CA SER A 67 247.139 292.905 258.508 1.00 0.00 C +ATOM 68 CA GLN A 68 245.089 292.132 261.625 1.00 0.00 C +TER 69 GLN A 68 +END diff --git a/Viruses/Q3HP10/Q3HP10.dcd b/Viruses/Q3HP10/Q3HP10.dcd new file mode 100644 index 0000000000000000000000000000000000000000..dece729b54089fb900ddd852bce10ae7fc948c94 --- /dev/null +++ b/Viruses/Q3HP10/Q3HP10.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:738e6ff28b6351a92bcaf3259b7016de76df04e9c678f8a1bb89b6194fc04241 +size 9080276 diff --git a/Viruses/Q3HP10/top.pdb b/Viruses/Q3HP10/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2f8ee46e622f5b7869b2478ea0689157cb3eac4d --- /dev/null +++ b/Viruses/Q3HP10/top.pdb @@ -0,0 +1,73 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA PHE A 1 272.750 232.228 260.654 1.00 0.00 C +ATOM 2 CA LEU A 2 271.138 231.113 257.387 1.00 0.00 C +ATOM 3 CA GLY A 3 269.576 231.121 253.912 1.00 0.00 C +ATOM 4 CA ARG A 4 265.900 231.972 254.437 1.00 0.00 C +ATOM 5 CA SER A 5 263.555 230.467 251.838 1.00 0.00 C +ATOM 6 CA TRP A 6 260.404 232.598 251.635 1.00 0.00 C +ATOM 7 CA PRO A 7 259.167 235.843 250.068 1.00 0.00 C +ATOM 8 CA SER A 8 255.965 236.399 248.078 1.00 0.00 C +ATOM 9 CA ASN A 9 253.861 239.514 247.458 1.00 0.00 C +ATOM 10 CA LYS A 10 250.528 238.961 249.221 1.00 0.00 C +ATOM 11 CA GLY A 11 250.619 240.079 252.862 1.00 0.00 C +ATOM 12 CA ARG A 12 248.217 242.563 254.467 1.00 0.00 C +ATOM 13 CA PRO A 13 244.917 244.419 254.892 1.00 0.00 C +ATOM 14 CA GLY A 14 241.230 245.205 254.343 1.00 0.00 C +ATOM 15 CA ASN A 15 240.936 247.008 250.999 1.00 0.00 C +ATOM 16 CA PHE A 16 240.630 244.366 248.272 1.00 0.00 C +ATOM 17 CA PRO A 17 237.930 241.791 247.497 1.00 0.00 C +ATOM 18 CA GLN A 18 237.892 238.996 250.086 1.00 0.00 C +ATOM 19 CA SER A 19 239.647 238.151 253.361 1.00 0.00 C +ATOM 20 CA ARG A 20 241.308 239.370 256.566 1.00 0.00 C +ATOM 21 CA LEU A 21 242.931 236.698 258.743 1.00 0.00 C +ATOM 22 CA GLU A 22 246.690 236.387 258.204 1.00 0.00 C +ATOM 23 CA PRO A 23 248.639 237.871 261.122 1.00 0.00 C +ATOM 24 CA THR A 24 251.164 240.723 261.010 1.00 0.00 C +ATOM 25 CA ALA A 25 254.011 242.009 258.829 1.00 0.00 C +ATOM 26 CA PRO A 26 255.627 242.600 255.430 1.00 0.00 C +ATOM 27 CA PRO A 27 259.198 243.708 256.161 1.00 0.00 C +ATOM 28 CA ALA A 28 261.012 246.492 258.026 1.00 0.00 C +ATOM 29 CA GLU A 29 259.895 250.123 257.738 1.00 0.00 C +ATOM 30 CA ASN A 30 262.490 252.730 258.731 1.00 0.00 C +ATOM 31 CA TRP A 31 265.843 251.015 258.151 1.00 0.00 C +ATOM 32 CA ARG A 32 267.451 250.869 261.602 1.00 0.00 C +ATOM 33 CA MET A 33 268.820 253.267 264.226 1.00 0.00 C +ATOM 34 CA GLU A 34 269.625 256.959 263.736 1.00 0.00 C +ATOM 35 CA GLU A 35 267.609 260.166 263.324 1.00 0.00 C +ATOM 36 CA GLU A 36 265.775 259.713 260.015 1.00 0.00 C +ATOM 37 CA THR A 37 268.165 260.771 257.243 1.00 0.00 C +ATOM 38 CA THR A 38 270.269 261.850 254.256 1.00 0.00 C +ATOM 39 CA SER A 39 269.015 263.436 251.026 1.00 0.00 C +ATOM 40 CA PRO A 40 266.130 261.427 249.558 1.00 0.00 C +ATOM 41 CA GLN A 41 263.864 263.834 247.665 1.00 0.00 C +ATOM 42 CA LYS A 42 260.105 263.504 248.192 1.00 0.00 C +ATOM 43 CA GLN A 43 258.396 261.540 245.410 1.00 0.00 C +ATOM 44 CA GLU A 44 260.897 261.068 242.576 1.00 0.00 C +ATOM 45 CA GLN A 45 258.754 260.947 239.428 1.00 0.00 C +ATOM 46 CA LYS A 46 256.198 259.554 236.970 1.00 0.00 C +ATOM 47 CA ASP A 47 252.987 261.008 235.523 1.00 0.00 C +ATOM 48 CA LYS A 48 249.756 259.089 236.150 1.00 0.00 C +ATOM 49 CA GLU A 49 248.829 256.956 233.131 1.00 0.00 C +ATOM 50 CA PRO A 50 245.425 257.908 231.708 1.00 0.00 C +ATOM 51 CA PRO A 51 243.599 261.105 232.691 1.00 0.00 C +ATOM 52 CA PRO A 52 243.205 264.793 231.823 1.00 0.00 C +ATOM 53 CA PRO A 53 241.903 267.037 234.613 1.00 0.00 C +ATOM 54 CA PRO A 54 238.196 266.496 235.307 1.00 0.00 C +ATOM 55 CA LEU A 55 234.796 268.161 234.880 1.00 0.00 C +ATOM 56 CA ILE A 56 233.001 269.819 237.804 1.00 0.00 C +ATOM 57 CA SER A 57 232.464 267.100 240.418 1.00 0.00 C +ATOM 58 CA LEU A 58 228.879 266.332 241.455 1.00 0.00 C +ATOM 59 CA LYS A 59 227.370 262.834 241.426 1.00 0.00 C +ATOM 60 CA SER A 60 229.802 260.469 243.160 1.00 0.00 C +ATOM 61 CA LEU A 61 230.939 258.822 246.401 1.00 0.00 C +ATOM 62 CA PHE A 62 232.924 255.805 247.617 1.00 0.00 C +ATOM 63 CA GLY A 63 232.023 253.124 250.170 1.00 0.00 C +ATOM 64 CA ASN A 64 231.759 249.458 251.173 1.00 0.00 C +ATOM 65 CA ASP A 65 231.050 247.401 254.301 1.00 0.00 C +ATOM 66 CA PRO A 66 229.555 243.906 254.046 1.00 0.00 C +ATOM 67 CA LEU A 67 229.808 240.328 252.762 1.00 0.00 C +ATOM 68 CA SER A 68 228.112 237.175 254.064 1.00 0.00 C +ATOM 69 CA GLN A 69 228.879 233.444 253.974 1.00 0.00 C +TER 70 GLN A 69 +END diff --git a/Viruses/Q3HP12/Q3HP12.dcd b/Viruses/Q3HP12/Q3HP12.dcd new file mode 100644 index 0000000000000000000000000000000000000000..5249c41d9854ed5e2cf61024a9b0541e3a8a98e7 --- /dev/null +++ b/Viruses/Q3HP12/Q3HP12.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8265aa5b11be1515f28f09be1a20a080f00a881530fa84225bb5162c30b29284 +size 8960276 diff --git a/Viruses/Q3HP12/top.pdb b/Viruses/Q3HP12/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5ad2e0d61625089b8f65df7a9d9ee9cc6a5f097c --- /dev/null +++ b/Viruses/Q3HP12/top.pdb @@ -0,0 +1,72 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA PHE A 1 252.733 259.026 212.576 1.00 0.00 C +ATOM 2 CA LEU A 2 250.144 256.781 210.911 1.00 0.00 C +ATOM 3 CA GLY A 3 247.089 255.150 212.499 1.00 0.00 C +ATOM 4 CA LYS A 4 245.607 252.152 214.325 1.00 0.00 C +ATOM 5 CA ILE A 5 244.735 248.444 214.243 1.00 0.00 C +ATOM 6 CA TRP A 6 247.264 245.602 214.448 1.00 0.00 C +ATOM 7 CA PRO A 7 249.158 245.833 217.745 1.00 0.00 C +ATOM 8 CA SER A 8 250.870 245.865 221.149 1.00 0.00 C +ATOM 9 CA ASN A 9 253.534 248.557 221.556 1.00 0.00 C +ATOM 10 CA LYS A 10 256.726 249.500 223.410 1.00 0.00 C +ATOM 11 CA GLY A 11 257.763 253.149 223.055 1.00 0.00 C +ATOM 12 CA ARG A 12 257.672 256.556 224.759 1.00 0.00 C +ATOM 13 CA PRO A 13 257.816 257.116 228.525 1.00 0.00 C +ATOM 14 CA GLY A 14 256.962 260.118 230.709 1.00 0.00 C +ATOM 15 CA ASN A 15 253.810 260.413 232.829 1.00 0.00 C +ATOM 16 CA PHE A 16 251.380 263.249 232.076 1.00 0.00 C +ATOM 17 CA PRO A 17 249.299 264.108 235.150 1.00 0.00 C +ATOM 18 CA GLN A 18 247.641 267.523 234.823 1.00 0.00 C +ATOM 19 CA SER A 19 244.586 268.655 236.797 1.00 0.00 C +ATOM 20 CA GLY A 20 243.165 266.495 239.595 1.00 0.00 C +ATOM 21 CA PRO A 21 244.305 265.121 242.961 1.00 0.00 C +ATOM 22 CA GLU A 22 243.218 264.330 246.526 1.00 0.00 C +ATOM 23 CA PRO A 23 246.133 262.438 248.088 1.00 0.00 C +ATOM 24 CA THR A 24 249.504 264.211 248.045 1.00 0.00 C +ATOM 25 CA ALA A 25 252.595 262.579 246.527 1.00 0.00 C +ATOM 26 CA PRO A 26 253.694 259.281 248.086 1.00 0.00 C +ATOM 27 CA PRO A 27 255.090 258.489 251.542 1.00 0.00 C +ATOM 28 CA ALA A 28 258.085 259.059 253.826 1.00 0.00 C +ATOM 29 CA GLU A 29 259.877 255.985 255.188 1.00 0.00 C +ATOM 30 CA ASP A 30 257.930 253.703 257.538 1.00 0.00 C +ATOM 31 CA TRP A 31 258.756 250.740 259.786 1.00 0.00 C +ATOM 32 CA GLY A 32 259.568 247.174 258.719 1.00 0.00 C +ATOM 33 CA MET A 33 256.414 245.080 258.293 1.00 0.00 C +ATOM 34 CA GLY A 34 256.729 242.296 255.712 1.00 0.00 C +ATOM 35 CA GLY A 35 257.502 239.081 257.605 1.00 0.00 C +ATOM 36 CA GLU A 36 258.915 239.668 261.094 1.00 0.00 C +ATOM 37 CA THR A 37 257.519 238.340 264.380 1.00 0.00 C +ATOM 38 CA THR A 38 256.120 234.880 263.615 1.00 0.00 C +ATOM 39 CA SER A 39 253.449 232.302 264.475 1.00 0.00 C +ATOM 40 CA LEU A 40 250.643 230.388 262.750 1.00 0.00 C +ATOM 41 CA PRO A 41 249.908 230.548 259.015 1.00 0.00 C +ATOM 42 CA LYS A 42 249.386 232.136 255.591 1.00 0.00 C +ATOM 43 CA GLN A 43 248.730 235.886 255.431 1.00 0.00 C +ATOM 44 CA GLU A 44 248.734 239.555 256.457 1.00 0.00 C +ATOM 45 CA GLN A 45 248.857 241.890 259.465 1.00 0.00 C +ATOM 46 CA LYS A 46 247.143 242.582 262.797 1.00 0.00 C +ATOM 47 CA ASP A 47 243.336 242.526 262.938 1.00 0.00 C +ATOM 48 CA LYS A 48 239.779 241.178 262.724 1.00 0.00 C +ATOM 49 CA GLY A 49 238.514 238.901 265.505 1.00 0.00 C +ATOM 50 CA HIS A 50 235.365 237.050 266.590 1.00 0.00 C +ATOM 51 CA PRO A 51 235.520 235.000 269.797 1.00 0.00 C +ATOM 52 CA PRO A 52 236.799 234.546 273.357 1.00 0.00 C +ATOM 53 CA PRO A 53 236.821 237.563 275.684 1.00 0.00 C +ATOM 54 CA LEU A 54 236.809 241.073 274.204 1.00 0.00 C +ATOM 55 CA ILE A 55 240.270 242.570 274.752 1.00 0.00 C +ATOM 56 CA SER A 56 243.632 242.298 272.981 1.00 0.00 C +ATOM 57 CA LEU A 57 246.220 244.206 270.937 1.00 0.00 C +ATOM 58 CA LYS A 58 246.591 246.449 267.880 1.00 0.00 C +ATOM 59 CA SER A 59 249.177 248.152 265.660 1.00 0.00 C +ATOM 60 CA LEU A 60 251.905 250.719 264.962 1.00 0.00 C +ATOM 61 CA PHE A 61 254.893 251.281 267.258 1.00 0.00 C +ATOM 62 CA GLY A 62 257.438 254.099 266.947 1.00 0.00 C +ATOM 63 CA ASN A 63 255.788 257.532 266.859 1.00 0.00 C +ATOM 64 CA ASP A 64 253.734 259.152 264.089 1.00 0.00 C +ATOM 65 CA PRO A 65 250.700 261.179 262.993 1.00 0.00 C +ATOM 66 CA LEU A 66 251.422 262.033 259.351 1.00 0.00 C +ATOM 67 CA SER A 67 249.323 261.644 256.195 1.00 0.00 C +ATOM 68 CA GLN A 68 249.205 258.817 253.643 1.00 0.00 C +TER 69 GLN A 68 +END diff --git a/Viruses/Q3HWX5/Q3HWX5.dcd b/Viruses/Q3HWX5/Q3HWX5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..6880159382a5e919046504d1b40c4371ca7418e7 --- /dev/null +++ b/Viruses/Q3HWX5/Q3HWX5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ac4e635f1da641fea6eb0440d29d25e91b1b2ef192b8270498aa5c2de37a232c +size 12080276 diff --git a/Viruses/Q3HWX5/top.pdb b/Viruses/Q3HWX5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b13b2b96e9bdfa494a11f4c358d05044bd28c9a0 --- /dev/null +++ b/Viruses/Q3HWX5/top.pdb @@ -0,0 +1,98 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ILE A 1 256.071 270.532 238.711 1.00 0.00 C +ATOM 2 CA ALA A 2 256.732 271.740 235.159 1.00 0.00 C +ATOM 3 CA SER A 3 258.995 274.271 233.431 1.00 0.00 C +ATOM 4 CA GLN A 4 261.801 276.162 231.679 1.00 0.00 C +ATOM 5 CA THR A 5 264.170 279.041 230.896 1.00 0.00 C +ATOM 6 CA GLY A 6 267.130 279.663 233.213 1.00 0.00 C +ATOM 7 CA ASP A 7 266.930 282.327 235.929 1.00 0.00 C +ATOM 8 CA GLU A 8 268.661 280.781 238.950 1.00 0.00 C +ATOM 9 CA ARG A 9 267.042 281.410 242.341 1.00 0.00 C +ATOM 10 CA THR A 10 268.734 283.653 244.915 1.00 0.00 C +ATOM 11 CA ALA A 11 269.151 284.332 248.641 1.00 0.00 C +ATOM 12 CA ARG A 12 268.861 281.797 251.470 1.00 0.00 C +ATOM 13 CA GLY A 13 267.756 278.280 252.430 1.00 0.00 C +ATOM 14 CA THR A 14 264.970 276.487 250.548 1.00 0.00 C +ATOM 15 CA GLY A 15 265.374 272.709 250.824 1.00 0.00 C +ATOM 16 CA PRO A 16 263.863 270.308 253.367 1.00 0.00 C +ATOM 17 CA ARG A 17 264.924 268.108 256.291 1.00 0.00 C +ATOM 18 CA GLN A 18 264.304 269.524 259.773 1.00 0.00 C +ATOM 19 CA ALA A 19 262.344 268.861 262.972 1.00 0.00 C +ATOM 20 CA GLN A 20 262.735 267.016 266.282 1.00 0.00 C +ATOM 21 CA VAL A 21 262.900 263.275 265.577 1.00 0.00 C +ATOM 22 CA SER A 22 263.915 262.856 261.928 1.00 0.00 C +ATOM 23 CA PHE A 23 267.327 261.937 260.503 1.00 0.00 C +ATOM 24 CA LEU A 24 271.122 262.266 260.470 1.00 0.00 C +ATOM 25 CA HIS A 25 273.494 262.187 263.451 1.00 0.00 C +ATOM 26 CA ASP A 26 273.313 258.861 265.300 1.00 0.00 C +ATOM 27 CA GLN A 27 270.419 257.155 267.098 1.00 0.00 C +ATOM 28 CA THR A 28 267.899 254.535 265.957 1.00 0.00 C +ATOM 29 CA GLY A 29 268.222 250.741 265.813 1.00 0.00 C +ATOM 30 CA GLY A 30 268.877 248.263 262.994 1.00 0.00 C +ATOM 31 CA GLY A 31 267.778 245.226 260.973 1.00 0.00 C +ATOM 32 CA GLU A 32 267.928 241.471 260.348 1.00 0.00 C +ATOM 33 CA SER A 33 268.253 239.706 263.709 1.00 0.00 C +ATOM 34 CA SER A 34 265.702 237.051 264.689 1.00 0.00 C +ATOM 35 CA ALA A 35 263.518 234.263 266.093 1.00 0.00 C +ATOM 36 CA PRO A 36 261.172 232.050 268.123 1.00 0.00 C +ATOM 37 CA ALA A 37 262.727 229.020 269.832 1.00 0.00 C +ATOM 38 CA THR A 38 264.345 226.006 268.154 1.00 0.00 C +ATOM 39 CA ARG A 39 263.022 223.043 266.158 1.00 0.00 C +ATOM 40 CA GLU A 40 261.947 220.832 263.247 1.00 0.00 C +ATOM 41 CA GLY A 41 259.978 222.503 260.446 1.00 0.00 C +ATOM 42 CA VAL A 42 257.448 223.401 257.742 1.00 0.00 C +ATOM 43 CA LYS A 43 258.728 223.148 254.162 1.00 0.00 C +ATOM 44 CA ALA A 44 257.912 225.634 251.394 1.00 0.00 C +ATOM 45 CA ALA A 45 259.293 224.341 248.087 1.00 0.00 C +ATOM 46 CA ILE A 46 256.547 224.173 245.451 1.00 0.00 C +ATOM 47 CA PRO A 47 253.107 222.827 244.518 1.00 0.00 C +ATOM 48 CA ASN A 48 250.923 225.520 242.939 1.00 0.00 C +ATOM 49 CA GLY A 49 250.969 228.119 240.154 1.00 0.00 C +ATOM 50 CA SER A 50 253.680 227.667 237.515 1.00 0.00 C +ATOM 51 CA GLU A 51 257.018 229.031 238.747 1.00 0.00 C +ATOM 52 CA GLU A 52 259.431 231.291 240.639 1.00 0.00 C +ATOM 53 CA ARG A 53 258.562 231.051 244.341 1.00 0.00 C +ATOM 54 CA ASP A 54 259.039 234.591 245.665 1.00 0.00 C +ATOM 55 CA ARG A 55 256.884 237.651 244.949 1.00 0.00 C +ATOM 56 CA LYS A 56 256.537 237.841 241.160 1.00 0.00 C +ATOM 57 CA GLN A 57 254.874 236.260 238.118 1.00 0.00 C +ATOM 58 CA THR A 58 253.433 239.021 235.923 1.00 0.00 C +ATOM 59 CA ARG A 59 252.067 242.554 235.515 1.00 0.00 C +ATOM 60 CA PRO A 60 248.388 243.427 235.980 1.00 0.00 C +ATOM 61 CA GLY A 61 246.211 246.512 235.474 1.00 0.00 C +ATOM 62 CA ARG A 62 247.303 250.116 234.892 1.00 0.00 C +ATOM 63 CA PRO A 63 246.423 251.681 231.532 1.00 0.00 C +ATOM 64 CA ARG A 64 242.623 251.908 231.378 1.00 0.00 C +ATOM 65 CA GLY A 65 239.963 250.083 233.405 1.00 0.00 C +ATOM 66 CA GLU A 66 236.763 251.783 234.582 1.00 0.00 C +ATOM 67 CA THR A 67 235.208 253.762 237.443 1.00 0.00 C +ATOM 68 CA PRO A 68 235.202 257.554 237.070 1.00 0.00 C +ATOM 69 CA GLY A 69 237.810 259.180 239.321 1.00 0.00 C +ATOM 70 CA GLN A 70 241.157 257.374 239.551 1.00 0.00 C +ATOM 71 CA LEU A 71 244.000 255.876 241.597 1.00 0.00 C +ATOM 72 CA LEU A 72 244.053 252.196 242.584 1.00 0.00 C +ATOM 73 CA LEU A 73 243.561 250.919 246.140 1.00 0.00 C +ATOM 74 CA GLU A 74 240.687 251.291 248.613 1.00 0.00 C +ATOM 75 CA ILE A 75 236.928 251.166 248.002 1.00 0.00 C +ATOM 76 CA MET A 76 233.345 249.899 248.272 1.00 0.00 C +ATOM 77 CA PRO A 77 230.977 251.839 250.540 1.00 0.00 C +ATOM 78 CA GLU A 78 227.687 253.288 249.279 1.00 0.00 C +ATOM 79 CA ASP A 79 225.203 254.415 246.619 1.00 0.00 C +ATOM 80 CA GLY A 80 221.733 252.894 246.216 1.00 0.00 C +ATOM 81 CA SER A 81 220.917 250.258 248.842 1.00 0.00 C +ATOM 82 CA GLU A 82 219.926 248.777 252.210 1.00 0.00 C +ATOM 83 CA ARG A 83 222.691 249.300 254.778 1.00 0.00 C +ATOM 84 CA VAL A 84 223.298 246.117 256.782 1.00 0.00 C +ATOM 85 CA PRO A 85 220.801 243.239 256.815 1.00 0.00 C +ATOM 86 CA GLY A 86 219.712 240.008 255.114 1.00 0.00 C +ATOM 87 CA GLN A 87 216.281 238.355 255.211 1.00 0.00 C +ATOM 88 CA HIS A 88 214.163 235.205 255.536 1.00 0.00 C +ATOM 89 CA PRO A 89 210.579 236.325 256.182 1.00 0.00 C +ATOM 90 CA ARG A 90 207.457 238.213 257.277 1.00 0.00 C +ATOM 91 CA GLY A 91 205.830 241.546 256.407 1.00 0.00 C +ATOM 92 CA ILE A 92 207.403 244.856 257.452 1.00 0.00 C +ATOM 93 CA LEU A 93 208.350 246.814 260.580 1.00 0.00 C +ATOM 94 CA ARG A 94 206.505 249.451 262.617 1.00 0.00 C +TER 95 ARG A 94 +END diff --git a/Viruses/Q3HWX7/Q3HWX7.dcd b/Viruses/Q3HWX7/Q3HWX7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f653f26484dece4ea93d6faea420f6988851b323 --- /dev/null +++ b/Viruses/Q3HWX7/Q3HWX7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6866db46fa926e8bd755d3f83078fd2a33b25ccaffc6ff965771cd606155040f +size 11480276 diff --git a/Viruses/Q3HWX7/top.pdb b/Viruses/Q3HWX7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..782281cd2b21f004f3f9201267166dc6b3fe8272 --- /dev/null +++ b/Viruses/Q3HWX7/top.pdb @@ -0,0 +1,93 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ILE A 1 251.290 226.065 240.698 1.00 0.00 C +ATOM 2 CA ALA A 2 248.607 223.689 239.405 1.00 0.00 C +ATOM 3 CA SER A 3 245.578 223.489 241.707 1.00 0.00 C +ATOM 4 CA GLN A 4 245.866 225.146 245.126 1.00 0.00 C +ATOM 5 CA THR A 5 246.544 228.892 245.273 1.00 0.00 C +ATOM 6 CA GLY A 6 247.499 232.453 246.235 1.00 0.00 C +ATOM 7 CA ASP A 7 248.409 233.148 249.869 1.00 0.00 C +ATOM 8 CA GLU A 8 246.191 235.908 251.273 1.00 0.00 C +ATOM 9 CA ARG A 9 248.214 238.196 253.551 1.00 0.00 C +ATOM 10 CA THR A 10 250.187 236.647 256.419 1.00 0.00 C +ATOM 11 CA ALA A 11 250.772 237.439 260.100 1.00 0.00 C +ATOM 12 CA ARG A 12 252.899 235.723 262.754 1.00 0.00 C +ATOM 13 CA GLY A 13 251.504 234.722 266.156 1.00 0.00 C +ATOM 14 CA THR A 14 249.447 231.958 267.782 1.00 0.00 C +ATOM 15 CA GLY A 15 246.659 232.894 270.204 1.00 0.00 C +ATOM 16 CA PRO A 16 243.057 231.959 271.019 1.00 0.00 C +ATOM 17 CA ARG A 17 239.554 233.406 270.625 1.00 0.00 C +ATOM 18 CA GLN A 18 237.567 234.434 273.709 1.00 0.00 C +ATOM 19 CA ALA A 19 235.541 231.378 274.741 1.00 0.00 C +ATOM 20 CA GLN A 20 237.014 228.099 273.478 1.00 0.00 C +ATOM 21 CA VAL A 21 235.210 225.370 271.525 1.00 0.00 C +ATOM 22 CA SER A 22 234.686 224.806 267.794 1.00 0.00 C +ATOM 23 CA PHE A 23 233.274 221.471 266.608 1.00 0.00 C +ATOM 24 CA LEU A 24 229.777 220.823 265.243 1.00 0.00 C +ATOM 25 CA GLN A 25 228.473 223.044 262.436 1.00 0.00 C +ATOM 26 CA HIS A 26 226.936 226.425 261.586 1.00 0.00 C +ATOM 27 CA GLN A 27 225.190 229.812 261.569 1.00 0.00 C +ATOM 28 CA THR A 28 223.933 232.640 263.790 1.00 0.00 C +ATOM 29 CA GLY A 29 226.354 235.551 263.360 1.00 0.00 C +ATOM 30 CA GLY A 30 230.136 235.831 262.995 1.00 0.00 C +ATOM 31 CA GLY A 31 231.459 237.018 266.365 1.00 0.00 C +ATOM 32 CA GLU A 32 233.355 239.826 268.108 1.00 0.00 C +ATOM 33 CA SER A 33 235.046 243.146 268.903 1.00 0.00 C +ATOM 34 CA SER A 34 236.061 246.469 267.338 1.00 0.00 C +ATOM 35 CA ALA A 35 236.363 249.405 264.930 1.00 0.00 C +ATOM 36 CA PRO A 36 236.524 253.182 264.450 1.00 0.00 C +ATOM 37 CA ALA A 37 237.419 255.714 267.152 1.00 0.00 C +ATOM 38 CA THR A 38 239.815 254.050 269.603 1.00 0.00 C +ATOM 39 CA ARG A 39 243.377 253.163 268.584 1.00 0.00 C +ATOM 40 CA GLU A 40 244.690 250.156 266.647 1.00 0.00 C +ATOM 41 CA GLY A 41 242.439 248.932 263.828 1.00 0.00 C +ATOM 42 CA VAL A 42 243.994 246.273 261.585 1.00 0.00 C +ATOM 43 CA LYS A 43 246.399 247.241 258.794 1.00 0.00 C +ATOM 44 CA ALA A 44 245.170 247.794 255.230 1.00 0.00 C +ATOM 45 CA ALA A 45 241.985 248.535 253.274 1.00 0.00 C +ATOM 46 CA ASP A 46 239.865 251.672 253.701 1.00 0.00 C +ATOM 47 CA PRO A 47 240.701 255.111 255.112 1.00 0.00 C +ATOM 48 CA LYS A 48 239.023 258.521 254.855 1.00 0.00 C +ATOM 49 CA ASN A 49 241.306 261.563 255.085 1.00 0.00 C +ATOM 50 CA GLY A 50 245.039 261.389 255.829 1.00 0.00 C +ATOM 51 CA THR A 51 248.152 262.145 257.891 1.00 0.00 C +ATOM 52 CA GLU A 52 250.341 264.972 256.575 1.00 0.00 C +ATOM 53 CA SER A 53 251.965 268.370 257.154 1.00 0.00 C +ATOM 54 CA GLU A 54 253.996 271.118 255.469 1.00 0.00 C +ATOM 55 CA GLN A 55 257.550 270.145 254.500 1.00 0.00 C +ATOM 56 CA ASP A 56 260.528 272.500 254.818 1.00 0.00 C +ATOM 57 CA ALA A 57 260.163 274.187 258.215 1.00 0.00 C +ATOM 58 CA PRO A 58 261.050 277.789 259.086 1.00 0.00 C +ATOM 59 CA PRO A 59 263.240 279.993 256.882 1.00 0.00 C +ATOM 60 CA GLY A 60 263.891 278.271 253.546 1.00 0.00 C +ATOM 61 CA ARG A 61 264.399 275.826 250.669 1.00 0.00 C +ATOM 62 CA ASN A 62 264.431 272.324 249.166 1.00 0.00 C +ATOM 63 CA SER A 63 266.783 270.652 246.679 1.00 0.00 C +ATOM 64 CA GLY A 64 269.300 270.863 243.827 1.00 0.00 C +ATOM 65 CA GLY A 65 271.088 271.235 240.483 1.00 0.00 C +ATOM 66 CA PRO A 66 269.531 269.012 237.808 1.00 0.00 C +ATOM 67 CA ARG A 67 269.995 268.627 234.046 1.00 0.00 C +ATOM 68 CA GLY A 68 267.610 265.897 232.871 1.00 0.00 C +ATOM 69 CA GLY A 69 266.776 262.297 231.946 1.00 0.00 C +ATOM 70 CA ASP A 70 264.212 259.505 232.329 1.00 0.00 C +ATOM 71 CA SER A 71 261.026 259.222 230.259 1.00 0.00 C +ATOM 72 CA GLY A 72 257.947 261.006 228.898 1.00 0.00 C +ATOM 73 CA GLY A 73 256.405 264.489 228.978 1.00 0.00 C +ATOM 74 CA PRO A 74 255.349 265.732 225.535 1.00 0.00 C +ATOM 75 CA GLY A 75 252.895 266.024 222.636 1.00 0.00 C +ATOM 76 CA GLY A 76 252.165 262.495 221.399 1.00 0.00 C +ATOM 77 CA GLY A 77 251.741 260.162 218.417 1.00 0.00 C +ATOM 78 CA ASP A 78 253.995 259.683 215.383 1.00 0.00 C +ATOM 79 CA SER A 79 257.380 257.941 215.539 1.00 0.00 C +ATOM 80 CA GLY A 80 261.047 257.127 216.173 1.00 0.00 C +ATOM 81 CA GLY A 81 264.340 258.596 214.940 1.00 0.00 C +ATOM 82 CA PRO A 82 266.108 260.819 217.479 1.00 0.00 C +ATOM 83 CA GLY A 83 268.439 260.540 220.479 1.00 0.00 C +ATOM 84 CA GLY A 84 269.622 256.919 220.439 1.00 0.00 C +ATOM 85 CA GLY A 85 269.470 254.677 223.516 1.00 0.00 C +ATOM 86 CA ASP A 86 268.265 254.888 227.124 1.00 0.00 C +ATOM 87 CA SER A 87 270.622 255.293 230.091 1.00 0.00 C +ATOM 88 CA GLY A 88 274.030 254.306 231.477 1.00 0.00 C +ATOM 89 CA GLY A 89 277.755 253.779 230.874 1.00 0.00 C +TER 90 GLY A 89 +END diff --git a/Viruses/Q3HWY0/Q3HWY0.dcd b/Viruses/Q3HWY0/Q3HWY0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d63d7e192eecdcee785c6431807e98539140bc19 --- /dev/null +++ b/Viruses/Q3HWY0/Q3HWY0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d735de82af94900ce6f97fea3f55073c48e68ed7f9101023cb77b343f0b48224 +size 12080276 diff --git a/Viruses/Q3HWY0/top.pdb b/Viruses/Q3HWY0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..05701e2c18641a6d5b0207e07807ceec9fa8914e --- /dev/null +++ b/Viruses/Q3HWY0/top.pdb @@ -0,0 +1,98 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ILE A 1 263.406 278.066 290.589 1.00 0.00 C +ATOM 2 CA ALA A 2 261.576 276.332 293.445 1.00 0.00 C +ATOM 3 CA SER A 3 259.367 273.907 295.384 1.00 0.00 C +ATOM 4 CA GLN A 4 256.085 272.940 297.060 1.00 0.00 C +ATOM 5 CA THR A 5 253.383 275.589 297.504 1.00 0.00 C +ATOM 6 CA GLY A 6 253.103 278.791 295.458 1.00 0.00 C +ATOM 7 CA ASP A 7 251.345 281.621 297.305 1.00 0.00 C +ATOM 8 CA GLU A 8 249.415 283.923 294.961 1.00 0.00 C +ATOM 9 CA ARG A 9 246.742 286.583 295.503 1.00 0.00 C +ATOM 10 CA THR A 10 243.674 285.372 293.597 1.00 0.00 C +ATOM 11 CA VAL A 11 241.643 286.860 290.738 1.00 0.00 C +ATOM 12 CA ARG A 12 242.707 288.846 287.666 1.00 0.00 C +ATOM 13 CA GLY A 13 245.790 288.576 285.444 1.00 0.00 C +ATOM 14 CA THR A 14 245.893 289.464 281.741 1.00 0.00 C +ATOM 15 CA GLY A 15 245.657 290.044 277.982 1.00 0.00 C +ATOM 16 CA PRO A 16 247.607 287.747 275.651 1.00 0.00 C +ATOM 17 CA ARG A 17 250.750 286.470 277.385 1.00 0.00 C +ATOM 18 CA GLN A 18 253.570 285.883 274.891 1.00 0.00 C +ATOM 19 CA ALA A 19 254.649 285.979 271.238 1.00 0.00 C +ATOM 20 CA GLN A 20 252.123 283.847 269.342 1.00 0.00 C +ATOM 21 CA VAL A 21 253.062 280.245 268.530 1.00 0.00 C +ATOM 22 CA SER A 22 253.826 277.344 266.181 1.00 0.00 C +ATOM 23 CA PHE A 23 250.957 275.360 264.649 1.00 0.00 C +ATOM 24 CA LEU A 24 249.541 272.346 262.797 1.00 0.00 C +ATOM 25 CA GLN A 25 250.193 268.777 263.958 1.00 0.00 C +ATOM 26 CA HIS A 26 253.718 267.345 263.742 1.00 0.00 C +ATOM 27 CA LYS A 27 256.776 265.074 263.713 1.00 0.00 C +ATOM 28 CA THR A 28 256.196 261.505 262.510 1.00 0.00 C +ATOM 29 CA ASP A 29 253.366 260.235 264.720 1.00 0.00 C +ATOM 30 CA GLU A 30 249.659 260.104 263.850 1.00 0.00 C +ATOM 31 CA GLY A 31 247.725 257.801 266.189 1.00 0.00 C +ATOM 32 CA GLU A 32 245.658 255.532 263.931 1.00 0.00 C +ATOM 33 CA SER A 33 245.218 251.809 263.254 1.00 0.00 C +ATOM 34 CA PRO A 34 244.659 248.612 261.258 1.00 0.00 C +ATOM 35 CA THR A 35 247.120 245.829 260.412 1.00 0.00 C +ATOM 36 CA PRO A 36 248.428 242.725 258.630 1.00 0.00 C +ATOM 37 CA ALA A 37 247.164 239.829 256.502 1.00 0.00 C +ATOM 38 CA THR A 38 244.415 237.458 255.343 1.00 0.00 C +ATOM 39 CA ARG A 39 244.286 233.963 253.833 1.00 0.00 C +ATOM 40 CA GLU A 40 244.226 232.362 250.376 1.00 0.00 C +ATOM 41 CA GLU A 41 241.064 231.140 248.637 1.00 0.00 C +ATOM 42 CA VAL A 42 240.609 228.265 246.179 1.00 0.00 C +ATOM 43 CA ARG A 43 240.987 226.424 242.865 1.00 0.00 C +ATOM 44 CA ALA A 44 243.661 226.171 240.162 1.00 0.00 C +ATOM 45 CA ALA A 45 245.404 228.446 237.653 1.00 0.00 C +ATOM 46 CA ILE A 46 248.973 227.419 236.802 1.00 0.00 C +ATOM 47 CA PRO A 47 250.679 225.377 234.075 1.00 0.00 C +ATOM 48 CA ASN A 48 252.014 226.523 230.695 1.00 0.00 C +ATOM 49 CA GLY A 49 254.571 228.221 228.438 1.00 0.00 C +ATOM 50 CA SER A 50 253.769 228.223 224.714 1.00 0.00 C +ATOM 51 CA GLU A 51 251.490 225.650 223.070 1.00 0.00 C +ATOM 52 CA GLY A 52 250.775 226.887 219.538 1.00 0.00 C +ATOM 53 CA ARG A 53 247.536 228.410 218.232 1.00 0.00 C +ATOM 54 CA ASP A 54 245.490 230.652 220.535 1.00 0.00 C +ATOM 55 CA THR A 55 243.137 232.259 223.064 1.00 0.00 C +ATOM 56 CA LYS A 56 245.149 234.096 225.727 1.00 0.00 C +ATOM 57 CA ARG A 57 245.878 237.809 226.172 1.00 0.00 C +ATOM 58 CA THR A 58 242.637 239.619 225.318 1.00 0.00 C +ATOM 59 CA ARG A 59 239.307 240.449 226.973 1.00 0.00 C +ATOM 60 CA SER A 60 238.193 241.074 230.563 1.00 0.00 C +ATOM 61 CA GLY A 61 235.641 243.204 232.424 1.00 0.00 C +ATOM 62 CA LYS A 62 233.631 241.427 235.130 1.00 0.00 C +ATOM 63 CA PRO A 63 231.058 242.209 237.829 1.00 0.00 C +ATOM 64 CA ARG A 64 230.948 246.010 238.056 1.00 0.00 C +ATOM 65 CA GLY A 65 231.295 249.186 235.980 1.00 0.00 C +ATOM 66 CA GLU A 66 232.469 252.654 234.926 1.00 0.00 C +ATOM 67 CA THR A 67 232.629 252.934 231.130 1.00 0.00 C +ATOM 68 CA PRO A 68 235.846 251.418 229.762 1.00 0.00 C +ATOM 69 CA GLY A 69 238.481 250.522 232.363 1.00 0.00 C +ATOM 70 CA GLN A 70 238.570 253.521 234.712 1.00 0.00 C +ATOM 71 CA LEU A 71 242.040 254.816 235.607 1.00 0.00 C +ATOM 72 CA LEU A 72 244.672 252.563 237.191 1.00 0.00 C +ATOM 73 CA PRO A 73 248.039 254.207 236.500 1.00 0.00 C +ATOM 74 CA GLU A 74 250.552 251.429 235.806 1.00 0.00 C +ATOM 75 CA ILE A 75 251.257 248.842 233.099 1.00 0.00 C +ATOM 76 CA MET A 76 251.948 246.618 230.084 1.00 0.00 C +ATOM 77 CA GLN A 77 251.844 242.823 229.756 1.00 0.00 C +ATOM 78 CA GLU A 78 252.924 240.115 227.304 1.00 0.00 C +ATOM 79 CA ASP A 79 253.729 239.027 223.742 1.00 0.00 C +ATOM 80 CA GLU A 80 254.526 235.302 223.678 1.00 0.00 C +ATOM 81 CA LEU A 81 256.853 234.214 226.493 1.00 0.00 C +ATOM 82 CA SER A 82 260.138 232.322 226.874 1.00 0.00 C +ATOM 83 CA ARG A 83 260.261 229.988 223.865 1.00 0.00 C +ATOM 84 CA GLU A 84 260.221 226.182 223.688 1.00 0.00 C +ATOM 85 CA SER A 85 261.927 223.014 224.940 1.00 0.00 C +ATOM 86 CA SER A 86 263.859 220.768 227.335 1.00 0.00 C +ATOM 87 CA GLN A 87 265.168 221.403 230.857 1.00 0.00 C +ATOM 88 CA ASN A 88 266.747 221.812 234.300 1.00 0.00 C +ATOM 89 CA PRO A 89 265.704 223.310 237.644 1.00 0.00 C +ATOM 90 CA ARG A 90 267.728 223.385 240.871 1.00 0.00 C +ATOM 91 CA GLU A 91 271.018 221.662 240.022 1.00 0.00 C +ATOM 92 CA ALA A 92 274.822 221.766 239.823 1.00 0.00 C +ATOM 93 CA GLN A 93 276.997 219.060 241.392 1.00 0.00 C +ATOM 94 CA ARG A 94 280.458 218.075 240.142 1.00 0.00 C +TER 95 ARG A 94 +END diff --git a/Viruses/Q3HWY5/Q3HWY5.dcd b/Viruses/Q3HWY5/Q3HWY5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..084a4a1f452d9ec0fe8caf9b28372c36421a4466 --- /dev/null +++ b/Viruses/Q3HWY5/Q3HWY5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8d816b6150d5d5c7caf1b9e715172a0b262a610fe8552cb0d29f382741085c2f +size 12080276 diff --git a/Viruses/Q3HWY5/top.pdb b/Viruses/Q3HWY5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..09abd30cf11f1f09c7e3ee6748b3c5ccb9800cf8 --- /dev/null +++ b/Viruses/Q3HWY5/top.pdb @@ -0,0 +1,98 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ILE A 1 275.384 271.317 270.881 1.00 0.00 C +ATOM 2 CA ALA A 2 271.733 270.397 271.465 1.00 0.00 C +ATOM 3 CA SER A 3 268.277 271.944 271.037 1.00 0.00 C +ATOM 4 CA GLN A 4 267.690 272.514 267.316 1.00 0.00 C +ATOM 5 CA ALA A 5 270.339 271.470 264.785 1.00 0.00 C +ATOM 6 CA GLY A 6 272.241 271.063 261.508 1.00 0.00 C +ATOM 7 CA ASP A 7 274.543 273.044 259.207 1.00 0.00 C +ATOM 8 CA GLU A 8 276.944 275.501 257.560 1.00 0.00 C +ATOM 9 CA ARG A 9 280.358 276.074 255.969 1.00 0.00 C +ATOM 10 CA THR A 10 282.967 278.197 257.757 1.00 0.00 C +ATOM 11 CA ALA A 11 286.623 278.313 256.691 1.00 0.00 C +ATOM 12 CA ARG A 12 290.077 277.018 257.645 1.00 0.00 C +ATOM 13 CA GLY A 13 290.584 273.868 255.562 1.00 0.00 C +ATOM 14 CA THR A 14 289.526 270.281 254.834 1.00 0.00 C +ATOM 15 CA GLY A 15 286.633 267.815 255.084 1.00 0.00 C +ATOM 16 CA PRO A 16 282.965 267.279 254.205 1.00 0.00 C +ATOM 17 CA ARG A 17 280.828 265.658 256.912 1.00 0.00 C +ATOM 18 CA GLN A 18 279.141 262.288 256.355 1.00 0.00 C +ATOM 19 CA ALA A 19 279.908 259.657 259.002 1.00 0.00 C +ATOM 20 CA GLN A 20 277.970 258.388 262.028 1.00 0.00 C +ATOM 21 CA VAL A 21 274.505 256.812 261.871 1.00 0.00 C +ATOM 22 CA SER A 22 272.724 256.544 265.229 1.00 0.00 C +ATOM 23 CA PHE A 23 273.466 255.228 268.726 1.00 0.00 C +ATOM 24 CA LEU A 24 276.046 257.270 270.647 1.00 0.00 C +ATOM 25 CA GLN A 25 278.792 259.678 269.563 1.00 0.00 C +ATOM 26 CA HIS A 26 282.411 259.445 268.393 1.00 0.00 C +ATOM 27 CA GLN A 27 284.197 262.748 269.041 1.00 0.00 C +ATOM 28 CA THR A 28 282.610 266.200 268.759 1.00 0.00 C +ATOM 29 CA GLY A 29 281.868 267.689 265.332 1.00 0.00 C +ATOM 30 CA GLY A 30 278.340 266.922 264.115 1.00 0.00 C +ATOM 31 CA GLY A 31 274.951 265.262 263.593 1.00 0.00 C +ATOM 32 CA GLU A 32 271.633 263.397 263.766 1.00 0.00 C +ATOM 33 CA SER A 33 269.711 262.201 266.831 1.00 0.00 C +ATOM 34 CA SER A 34 266.838 263.974 268.596 1.00 0.00 C +ATOM 35 CA ALA A 35 264.441 264.942 271.394 1.00 0.00 C +ATOM 36 CA PRO A 36 260.825 264.517 270.271 1.00 0.00 C +ATOM 37 CA ALA A 37 258.187 263.174 267.873 1.00 0.00 C +ATOM 38 CA THR A 38 257.729 264.156 264.220 1.00 0.00 C +ATOM 39 CA ARG A 39 254.039 264.274 263.279 1.00 0.00 C +ATOM 40 CA GLU A 40 250.718 263.894 261.450 1.00 0.00 C +ATOM 41 CA ARG A 41 248.069 261.282 260.628 1.00 0.00 C +ATOM 42 CA GLY A 42 245.673 261.434 257.670 1.00 0.00 C +ATOM 43 CA GLN A 43 244.255 257.921 257.265 1.00 0.00 C +ATOM 44 CA SER A 44 242.611 256.897 253.985 1.00 0.00 C +ATOM 45 CA CYS A 45 239.913 255.640 251.606 1.00 0.00 C +ATOM 46 CA ASP A 46 236.638 256.101 249.715 1.00 0.00 C +ATOM 47 CA PRO A 47 236.885 258.131 246.500 1.00 0.00 C +ATOM 48 CA LYS A 48 235.098 259.349 243.363 1.00 0.00 C +ATOM 49 CA ARG A 49 237.603 259.510 240.496 1.00 0.00 C +ATOM 50 CA ILE A 50 240.222 258.601 237.882 1.00 0.00 C +ATOM 51 CA ARG A 51 241.894 260.054 234.782 1.00 0.00 C +ATOM 52 CA ARG A 52 245.567 261.064 234.731 1.00 0.00 C +ATOM 53 CA LYS A 53 247.780 257.968 234.920 1.00 0.00 C +ATOM 54 CA GLY A 54 250.204 255.506 236.526 1.00 0.00 C +ATOM 55 CA GLN A 55 250.139 252.765 239.171 1.00 0.00 C +ATOM 56 CA LYS A 56 249.304 250.024 241.683 1.00 0.00 C +ATOM 57 CA ALA A 57 248.740 246.263 241.911 1.00 0.00 C +ATOM 58 CA ASN A 58 245.977 243.647 241.726 1.00 0.00 C +ATOM 59 CA THR A 59 243.316 244.555 239.154 1.00 0.00 C +ATOM 60 CA PRO A 60 242.693 243.632 235.511 1.00 0.00 C +ATOM 61 CA ARG A 61 241.074 240.791 233.556 1.00 0.00 C +ATOM 62 CA LYS A 62 240.326 237.456 231.872 1.00 0.00 C +ATOM 63 CA ALA A 63 237.267 235.257 231.303 1.00 0.00 C +ATOM 64 CA GLN A 64 233.520 235.878 230.996 1.00 0.00 C +ATOM 65 CA ARG A 65 232.697 239.519 231.760 1.00 0.00 C +ATOM 66 CA ARG A 66 229.535 239.611 233.884 1.00 0.00 C +ATOM 67 CA ASP A 67 228.700 239.247 237.583 1.00 0.00 C +ATOM 68 CA PRO A 68 227.846 238.808 241.271 1.00 0.00 C +ATOM 69 CA ARG A 69 230.251 236.368 242.937 1.00 0.00 C +ATOM 70 CA PRO A 70 228.904 232.858 243.556 1.00 0.00 C +ATOM 71 CA THR A 71 228.684 229.372 245.077 1.00 0.00 C +ATOM 72 CA ALA A 72 231.888 227.478 245.892 1.00 0.00 C +ATOM 73 CA PRO A 73 232.574 224.654 243.429 1.00 0.00 C +ATOM 74 CA GLY A 74 234.490 221.922 245.268 1.00 0.00 C +ATOM 75 CA ASN A 75 234.050 218.518 243.616 1.00 0.00 C +ATOM 76 CA HIS A 76 230.574 217.189 244.430 1.00 0.00 C +ATOM 77 CA ALA A 77 228.553 213.966 244.215 1.00 0.00 C +ATOM 78 CA ARG A 78 225.380 211.991 244.951 1.00 0.00 C +ATOM 79 CA GLY A 79 222.167 213.768 243.934 1.00 0.00 C +ATOM 80 CA CYS A 80 222.063 215.349 240.470 1.00 0.00 C +ATOM 81 CA ALA A 81 220.347 216.094 237.150 1.00 0.00 C +ATOM 82 CA LEU A 82 221.728 215.065 233.752 1.00 0.00 C +ATOM 83 CA ALA A 83 219.616 214.791 230.592 1.00 0.00 C +ATOM 84 CA ARG A 84 219.227 218.367 229.336 1.00 0.00 C +ATOM 85 CA ILE A 85 221.102 221.075 227.422 1.00 0.00 C +ATOM 86 CA TRP A 86 219.906 224.454 228.714 1.00 0.00 C +ATOM 87 CA SER A 87 216.497 225.349 230.162 1.00 0.00 C +ATOM 88 CA LYS A 88 213.699 227.924 230.402 1.00 0.00 C +ATOM 89 CA PRO A 89 213.747 229.536 233.853 1.00 0.00 C +ATOM 90 CA SER A 90 211.115 231.419 235.865 1.00 0.00 C +ATOM 91 CA TRP A 91 207.846 232.950 237.083 1.00 0.00 C +ATOM 92 CA GLY A 92 208.794 235.298 239.929 1.00 0.00 C +ATOM 93 CA SER A 93 208.317 238.221 242.327 1.00 0.00 C +ATOM 94 CA LYS A 94 206.171 238.700 245.438 1.00 0.00 C +TER 95 LYS A 94 +END diff --git a/Viruses/Q3HWY6/Q3HWY6.dcd b/Viruses/Q3HWY6/Q3HWY6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..7afd4189156751084f4f95e9cbdc49d255c1c27c --- /dev/null +++ b/Viruses/Q3HWY6/Q3HWY6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1e995d434704c37babe085210fd7de32828670bf6d1cf7a3a26b64df152835bc +size 12080276 diff --git a/Viruses/Q3HWY6/top.pdb b/Viruses/Q3HWY6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9ba1aa4f5a2747f9cc14774a4020da57e4f81a0e --- /dev/null +++ b/Viruses/Q3HWY6/top.pdb @@ -0,0 +1,98 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ILE A 1 267.058 249.093 260.374 1.00 0.00 C +ATOM 2 CA ALA A 2 267.934 252.793 260.616 1.00 0.00 C +ATOM 3 CA SER A 3 266.756 255.873 262.524 1.00 0.00 C +ATOM 4 CA GLN A 4 263.881 258.326 263.006 1.00 0.00 C +ATOM 5 CA ALA A 5 260.720 257.542 264.983 1.00 0.00 C +ATOM 6 CA GLY A 6 260.652 258.635 268.632 1.00 0.00 C +ATOM 7 CA ASP A 7 259.125 255.783 270.645 1.00 0.00 C +ATOM 8 CA GLU A 8 256.044 253.571 270.279 1.00 0.00 C +ATOM 9 CA ARG A 9 256.696 249.820 270.152 1.00 0.00 C +ATOM 10 CA THR A 10 259.990 248.791 271.768 1.00 0.00 C +ATOM 11 CA ALA A 11 260.073 245.202 273.042 1.00 0.00 C +ATOM 12 CA ARG A 12 259.514 241.552 273.982 1.00 0.00 C +ATOM 13 CA GLY A 13 260.592 238.045 272.954 1.00 0.00 C +ATOM 14 CA THR A 14 257.705 236.493 271.012 1.00 0.00 C +ATOM 15 CA GLY A 15 254.049 236.551 272.081 1.00 0.00 C +ATOM 16 CA PRO A 16 252.197 238.701 274.623 1.00 0.00 C +ATOM 17 CA ARG A 17 248.862 237.450 275.977 1.00 0.00 C +ATOM 18 CA GLN A 18 245.117 237.560 276.667 1.00 0.00 C +ATOM 19 CA ALA A 19 244.196 240.573 278.809 1.00 0.00 C +ATOM 20 CA GLN A 20 244.537 244.358 279.083 1.00 0.00 C +ATOM 21 CA VAL A 21 245.142 247.565 277.118 1.00 0.00 C +ATOM 22 CA SER A 22 248.259 249.478 276.050 1.00 0.00 C +ATOM 23 CA PHE A 23 249.091 250.867 272.601 1.00 0.00 C +ATOM 24 CA LEU A 24 250.652 254.271 273.305 1.00 0.00 C +ATOM 25 CA GLN A 25 251.522 257.561 271.593 1.00 0.00 C +ATOM 26 CA HIS A 26 250.082 259.485 268.637 1.00 0.00 C +ATOM 27 CA GLN A 27 252.376 261.482 266.342 1.00 0.00 C +ATOM 28 CA THR A 28 253.854 261.321 262.834 1.00 0.00 C +ATOM 29 CA GLY A 29 257.476 261.557 261.674 1.00 0.00 C +ATOM 30 CA GLY A 30 260.137 262.776 259.235 1.00 0.00 C +ATOM 31 CA GLY A 31 262.261 265.809 260.132 1.00 0.00 C +ATOM 32 CA GLU A 32 265.668 267.096 261.251 1.00 0.00 C +ATOM 33 CA SER A 33 269.325 266.134 260.788 1.00 0.00 C +ATOM 34 CA SER A 34 271.095 264.401 257.893 1.00 0.00 C +ATOM 35 CA ALA A 35 270.472 265.079 254.195 1.00 0.00 C +ATOM 36 CA PRO A 36 267.351 264.033 252.276 1.00 0.00 C +ATOM 37 CA ALA A 37 264.568 262.406 254.306 1.00 0.00 C +ATOM 38 CA THR A 38 265.610 259.043 255.763 1.00 0.00 C +ATOM 39 CA ARG A 39 264.687 256.431 253.147 1.00 0.00 C +ATOM 40 CA GLU A 40 266.176 254.330 250.339 1.00 0.00 C +ATOM 41 CA GLY A 41 268.038 252.805 247.386 1.00 0.00 C +ATOM 42 CA VAL A 42 269.071 249.401 246.021 1.00 0.00 C +ATOM 43 CA LYS A 43 270.579 248.733 242.587 1.00 0.00 C +ATOM 44 CA ALA A 44 268.362 246.037 241.060 1.00 0.00 C +ATOM 45 CA ALA A 45 266.425 242.893 241.997 1.00 0.00 C +ATOM 46 CA ILE A 46 262.705 243.663 242.286 1.00 0.00 C +ATOM 47 CA PRO A 47 260.912 241.057 244.409 1.00 0.00 C +ATOM 48 CA ASN A 48 260.947 242.424 247.965 1.00 0.00 C +ATOM 49 CA GLY A 49 258.392 241.307 250.561 1.00 0.00 C +ATOM 50 CA SER A 50 254.869 242.072 249.329 1.00 0.00 C +ATOM 51 CA GLU A 51 252.010 244.517 248.726 1.00 0.00 C +ATOM 52 CA GLU A 52 251.579 246.889 251.676 1.00 0.00 C +ATOM 53 CA ARG A 53 249.041 249.730 251.612 1.00 0.00 C +ATOM 54 CA ASP A 54 245.320 250.147 250.911 1.00 0.00 C +ATOM 55 CA ARG A 55 243.454 248.036 248.345 1.00 0.00 C +ATOM 56 CA LYS A 56 239.679 248.537 248.468 1.00 0.00 C +ATOM 57 CA GLN A 57 238.323 250.440 251.477 1.00 0.00 C +ATOM 58 CA THR A 58 239.278 253.675 253.249 1.00 0.00 C +ATOM 59 CA ARG A 59 242.355 255.840 253.848 1.00 0.00 C +ATOM 60 CA PRO A 60 242.493 259.451 255.055 1.00 0.00 C +ATOM 61 CA GLY A 61 242.566 262.512 252.787 1.00 0.00 C +ATOM 62 CA ARG A 62 240.307 265.324 254.013 1.00 0.00 C +ATOM 63 CA PRO A 63 237.594 266.786 251.773 1.00 0.00 C +ATOM 64 CA ARG A 64 238.511 268.926 248.757 1.00 0.00 C +ATOM 65 CA GLY A 65 237.399 267.751 245.307 1.00 0.00 C +ATOM 66 CA GLU A 66 236.565 267.188 241.632 1.00 0.00 C +ATOM 67 CA THR A 67 236.212 263.788 239.949 1.00 0.00 C +ATOM 68 CA PRO A 68 236.195 260.317 238.378 1.00 0.00 C +ATOM 69 CA GLY A 69 233.180 258.299 237.215 1.00 0.00 C +ATOM 70 CA GLN A 70 230.680 255.704 235.978 1.00 0.00 C +ATOM 71 CA LEU A 71 231.872 252.275 237.131 1.00 0.00 C +ATOM 72 CA LEU A 72 231.860 248.799 238.692 1.00 0.00 C +ATOM 73 CA LEU A 73 233.447 247.049 241.681 1.00 0.00 C +ATOM 74 CA GLU A 74 232.492 243.371 241.400 1.00 0.00 C +ATOM 75 CA ILE A 75 229.873 241.358 243.299 1.00 0.00 C +ATOM 76 CA MET A 76 226.550 239.962 242.066 1.00 0.00 C +ATOM 77 CA PRO A 77 226.365 240.870 238.370 1.00 0.00 C +ATOM 78 CA GLU A 78 228.716 243.183 236.463 1.00 0.00 C +ATOM 79 CA ASP A 79 231.042 244.866 233.958 1.00 0.00 C +ATOM 80 CA GLU A 80 234.064 242.640 233.304 1.00 0.00 C +ATOM 81 CA LEU A 81 236.492 244.622 231.137 1.00 0.00 C +ATOM 82 CA SER A 82 235.474 246.022 227.743 1.00 0.00 C +ATOM 83 CA ARG A 83 237.886 247.511 225.197 1.00 0.00 C +ATOM 84 CA GLU A 84 240.678 245.977 223.107 1.00 0.00 C +ATOM 85 CA SER A 85 241.814 244.647 219.722 1.00 0.00 C +ATOM 86 CA GLY A 86 241.651 241.372 217.781 1.00 0.00 C +ATOM 87 CA GLN A 87 243.146 241.113 214.286 1.00 0.00 C +ATOM 88 CA ASN A 88 242.351 238.851 211.325 1.00 0.00 C +ATOM 89 CA PRO A 89 244.588 236.625 209.191 1.00 0.00 C +ATOM 90 CA ARG A 90 245.386 233.142 207.867 1.00 0.00 C +ATOM 91 CA GLU A 91 247.187 230.896 210.363 1.00 0.00 C +ATOM 92 CA ALA A 92 250.245 230.212 212.531 1.00 0.00 C +ATOM 93 CA GLN A 93 252.300 227.288 213.850 1.00 0.00 C +ATOM 94 CA ARG A 94 249.979 225.257 216.089 1.00 0.00 C +TER 95 ARG A 94 +END diff --git a/Viruses/Q3KSP3/Q3KSP3.dcd b/Viruses/Q3KSP3/Q3KSP3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c3c170d0dca21d57fbc22598c74a482702352a9b --- /dev/null +++ b/Viruses/Q3KSP3/Q3KSP3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b1c16349d2d1156515a3d9d5b1dbd437534847aa33acecd17adbcca2827cd38f +size 13160276 diff --git a/Viruses/Q3KSP3/top.pdb b/Viruses/Q3KSP3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..47a6981e4bc19da5464316a7415cf63e0e8aa52e --- /dev/null +++ b/Viruses/Q3KSP3/top.pdb @@ -0,0 +1,107 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 253.667 270.599 299.893 1.00 0.00 C +ATOM 2 CA ALA A 2 253.951 267.819 297.303 1.00 0.00 C +ATOM 3 CA GLY A 3 257.387 266.208 296.962 1.00 0.00 C +ATOM 4 CA ALA A 4 257.958 262.588 298.003 1.00 0.00 C +ATOM 5 CA ARG A 5 257.405 258.830 297.708 1.00 0.00 C +ATOM 6 CA ARG A 6 260.055 256.183 297.007 1.00 0.00 C +ATOM 7 CA ARG A 7 263.002 255.428 294.714 1.00 0.00 C +ATOM 8 CA ALA A 8 262.087 255.666 291.023 1.00 0.00 C +ATOM 9 CA ARG A 9 259.134 257.444 289.400 1.00 0.00 C +ATOM 10 CA CYS A 10 256.818 260.078 290.888 1.00 0.00 C +ATOM 11 CA PRO A 11 254.812 262.485 288.720 1.00 0.00 C +ATOM 12 CA ALA A 12 251.165 261.442 288.359 1.00 0.00 C +ATOM 13 CA SER A 13 250.237 260.956 284.696 1.00 0.00 C +ATOM 14 CA ALA A 14 248.393 257.729 283.856 1.00 0.00 C +ATOM 15 CA GLY A 15 246.212 254.809 282.746 1.00 0.00 C +ATOM 16 CA CYS A 16 248.299 251.848 281.567 1.00 0.00 C +ATOM 17 CA ALA A 17 247.234 250.005 278.407 1.00 0.00 C +ATOM 18 CA TYR A 18 250.259 249.178 276.243 1.00 0.00 C +ATOM 19 CA SER A 19 249.922 250.151 272.574 1.00 0.00 C +ATOM 20 CA ALA A 20 251.022 253.303 270.738 1.00 0.00 C +ATOM 21 CA ARG A 21 253.320 254.425 267.914 1.00 0.00 C +ATOM 22 CA PRO A 22 253.064 255.939 264.427 1.00 0.00 C +ATOM 23 CA PRO A 23 251.523 253.361 262.083 1.00 0.00 C +ATOM 24 CA PRO A 24 251.958 249.578 262.219 1.00 0.00 C +ATOM 25 CA LEU A 25 254.128 248.482 259.285 1.00 0.00 C +ATOM 26 CA SER A 26 256.605 245.960 260.705 1.00 0.00 C +ATOM 27 CA THR A 27 259.235 244.530 258.348 1.00 0.00 C +ATOM 28 CA ARG A 28 260.138 243.178 254.902 1.00 0.00 C +ATOM 29 CA GLY A 29 257.882 242.082 252.035 1.00 0.00 C +ATOM 30 CA ARG A 30 254.238 242.967 251.362 1.00 0.00 C +ATOM 31 CA ARG A 31 252.031 242.475 248.296 1.00 0.00 C +ATOM 32 CA ILE A 32 251.715 242.906 244.523 1.00 0.00 C +ATOM 33 CA SER A 33 252.648 240.080 242.145 1.00 0.00 C +ATOM 34 CA ALA A 34 252.033 241.221 238.562 1.00 0.00 C +ATOM 35 CA GLY A 35 249.016 242.982 237.042 1.00 0.00 C +ATOM 36 CA SER A 36 246.939 245.482 235.054 1.00 0.00 C +ATOM 37 CA GLY A 37 245.024 247.210 232.250 1.00 0.00 C +ATOM 38 CA GLN A 38 246.211 246.464 228.707 1.00 0.00 C +ATOM 39 CA PRO A 39 249.278 245.136 226.878 1.00 0.00 C +ATOM 40 CA ARG A 40 250.396 247.560 224.160 1.00 0.00 C +ATOM 41 CA TRP A 41 252.154 250.832 225.011 1.00 0.00 C +ATOM 42 CA TRP A 42 253.013 252.112 228.495 1.00 0.00 C +ATOM 43 CA PRO A 43 254.934 250.504 231.366 1.00 0.00 C +ATOM 44 CA TRP A 44 254.802 247.425 233.607 1.00 0.00 C +ATOM 45 CA GLY A 45 256.451 244.819 235.843 1.00 0.00 C +ATOM 46 CA SER A 46 259.779 243.596 234.446 1.00 0.00 C +ATOM 47 CA PRO A 47 262.901 245.665 233.753 1.00 0.00 C +ATOM 48 CA PRO A 48 265.919 245.574 236.077 1.00 0.00 C +ATOM 49 CA PRO A 49 266.931 243.150 238.836 1.00 0.00 C +ATOM 50 CA LEU A 50 269.850 241.821 240.892 1.00 0.00 C +ATOM 51 CA ASP A 51 269.268 238.175 241.833 1.00 0.00 C +ATOM 52 CA THR A 52 267.034 237.995 244.914 1.00 0.00 C +ATOM 53 CA ARG A 53 264.131 237.775 247.372 1.00 0.00 C +ATOM 54 CA TYR A 54 260.549 236.594 246.833 1.00 0.00 C +ATOM 55 CA ARG A 55 258.720 239.073 244.592 1.00 0.00 C +ATOM 56 CA ARG A 56 259.712 242.741 244.879 1.00 0.00 C +ATOM 57 CA PRO A 57 261.701 245.442 243.074 1.00 0.00 C +ATOM 58 CA GLY A 58 263.722 248.670 242.951 1.00 0.00 C +ATOM 59 CA PRO A 59 265.424 251.863 241.757 1.00 0.00 C +ATOM 60 CA GLY A 60 263.570 255.128 242.399 1.00 0.00 C +ATOM 61 CA ARG A 61 261.746 258.322 241.402 1.00 0.00 C +ATOM 62 CA ARG A 62 261.386 261.771 239.825 1.00 0.00 C +ATOM 63 CA ALA A 63 261.310 265.351 241.128 1.00 0.00 C +ATOM 64 CA ARG A 64 258.802 267.393 243.141 1.00 0.00 C +ATOM 65 CA SER A 65 255.782 266.742 245.371 1.00 0.00 C +ATOM 66 CA CYS A 66 255.132 265.041 248.718 1.00 0.00 C +ATOM 67 CA LEU A 67 257.824 262.886 250.338 1.00 0.00 C +ATOM 68 CA HIS A 68 257.858 259.087 250.628 1.00 0.00 C +ATOM 69 CA ALA A 69 255.184 257.375 248.522 1.00 0.00 C +ATOM 70 CA GLY A 70 251.895 258.900 249.694 1.00 0.00 C +ATOM 71 CA PRO A 71 249.073 256.360 250.015 1.00 0.00 C +ATOM 72 CA ARG A 72 247.700 254.795 246.824 1.00 0.00 C +ATOM 73 CA GLY A 73 244.396 256.095 245.443 1.00 0.00 C +ATOM 74 CA ARG A 74 240.647 255.431 245.318 1.00 0.00 C +ATOM 75 CA PRO A 75 237.858 255.147 247.898 1.00 0.00 C +ATOM 76 CA PRO A 76 238.408 251.760 249.554 1.00 0.00 C +ATOM 77 CA HIS A 77 240.199 248.719 248.118 1.00 0.00 C +ATOM 78 CA SER A 78 242.353 247.587 245.187 1.00 0.00 C +ATOM 79 CA ARG A 79 242.351 247.551 241.377 1.00 0.00 C +ATOM 80 CA THR A 80 241.287 250.175 238.827 1.00 0.00 C +ATOM 81 CA ARG A 81 242.918 253.600 238.478 1.00 0.00 C +ATOM 82 CA ALA A 82 244.289 256.908 237.178 1.00 0.00 C +ATOM 83 CA ARG A 83 244.256 257.109 233.373 1.00 0.00 C +ATOM 84 CA ARG A 84 241.205 258.413 231.501 1.00 0.00 C +ATOM 85 CA THR A 85 239.940 256.813 228.283 1.00 0.00 C +ATOM 86 CA SER A 86 240.393 253.031 228.374 1.00 0.00 C +ATOM 87 CA PRO A 87 242.373 250.554 226.261 1.00 0.00 C +ATOM 88 CA GLY A 88 241.261 248.168 223.507 1.00 0.00 C +ATOM 89 CA ALA A 89 238.478 248.589 220.940 1.00 0.00 C +ATOM 90 CA GLY A 90 236.181 245.907 219.507 1.00 0.00 C +ATOM 91 CA GLY A 91 233.731 243.362 220.932 1.00 0.00 C +ATOM 92 CA GLY A 92 232.367 240.619 223.197 1.00 0.00 C +ATOM 93 CA GLY A 93 233.899 241.396 226.598 1.00 0.00 C +ATOM 94 CA TRP A 94 233.740 238.092 228.489 1.00 0.00 C +ATOM 95 CA ARG A 95 232.229 235.891 231.207 1.00 0.00 C +ATOM 96 CA GLY A 96 230.776 233.427 233.723 1.00 0.00 C +ATOM 97 CA GLY A 97 227.252 232.020 233.377 1.00 0.00 C +ATOM 98 CA SER A 98 224.887 233.096 236.165 1.00 0.00 C +ATOM 99 CA CYS A 99 224.368 234.896 239.482 1.00 0.00 C +ATOM 100 CA THR A 100 224.446 236.990 242.664 1.00 0.00 C +ATOM 101 CA SER A 101 225.627 237.099 246.285 1.00 0.00 C +ATOM 102 CA GLN A 102 227.546 240.371 246.643 1.00 0.00 C +ATOM 103 CA ARG A 103 229.677 243.434 245.872 1.00 0.00 C +TER 104 ARG A 103 +END diff --git a/Viruses/Q3LUB4/Q3LUB4.dcd b/Viruses/Q3LUB4/Q3LUB4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..1c0f0640c673cde30b6520b8e7b884d30bd5a212 --- /dev/null +++ b/Viruses/Q3LUB4/Q3LUB4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b04e6eef98ce2f0282eb4b96923fde8a29fc77fb82c75c40d8a309ae3c8944be +size 12080276 diff --git a/Viruses/Q3LUB4/top.pdb b/Viruses/Q3LUB4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..67c9309b300fd1a57866073c10d953a17fdc3c65 --- /dev/null +++ b/Viruses/Q3LUB4/top.pdb @@ -0,0 +1,98 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ILE A 1 254.139 265.967 269.143 1.00 0.00 C +ATOM 2 CA ALA A 2 254.459 264.014 265.887 1.00 0.00 C +ATOM 3 CA SER A 3 254.706 260.371 264.798 1.00 0.00 C +ATOM 4 CA GLN A 4 252.982 260.108 261.411 1.00 0.00 C +ATOM 5 CA THR A 5 250.623 262.297 259.372 1.00 0.00 C +ATOM 6 CA GLY A 6 249.523 265.945 259.307 1.00 0.00 C +ATOM 7 CA ASP A 7 247.103 268.076 257.277 1.00 0.00 C +ATOM 8 CA GLU A 8 245.032 266.772 254.356 1.00 0.00 C +ATOM 9 CA ARG A 9 241.392 267.034 255.450 1.00 0.00 C +ATOM 10 CA THR A 10 238.107 266.539 257.317 1.00 0.00 C +ATOM 11 CA ALA A 11 234.764 268.139 258.199 1.00 0.00 C +ATOM 12 CA ARG A 12 235.201 271.921 258.049 1.00 0.00 C +ATOM 13 CA GLY A 13 234.088 273.683 261.238 1.00 0.00 C +ATOM 14 CA THR A 14 233.795 273.696 265.037 1.00 0.00 C +ATOM 15 CA GLY A 15 234.298 275.552 268.326 1.00 0.00 C +ATOM 16 CA PRO A 16 234.172 276.250 272.070 1.00 0.00 C +ATOM 17 CA ARG A 17 237.300 274.615 273.505 1.00 0.00 C +ATOM 18 CA GLN A 18 240.232 273.116 271.588 1.00 0.00 C +ATOM 19 CA ALA A 19 239.565 272.288 267.929 1.00 0.00 C +ATOM 20 CA GLN A 20 239.484 269.547 265.283 1.00 0.00 C +ATOM 21 CA VAL A 21 241.708 269.042 262.231 1.00 0.00 C +ATOM 22 CA SER A 22 244.226 266.187 262.400 1.00 0.00 C +ATOM 23 CA PHE A 23 242.161 263.049 263.037 1.00 0.00 C +ATOM 24 CA LEU A 24 242.176 259.331 262.204 1.00 0.00 C +ATOM 25 CA GLN A 25 242.021 255.558 261.698 1.00 0.00 C +ATOM 26 CA HIS A 26 243.463 252.535 263.514 1.00 0.00 C +ATOM 27 CA LYS A 27 244.938 251.950 266.977 1.00 0.00 C +ATOM 28 CA THR A 28 248.702 252.419 267.334 1.00 0.00 C +ATOM 29 CA GLY A 29 251.848 253.900 268.893 1.00 0.00 C +ATOM 30 CA GLU A 30 253.962 251.742 271.214 1.00 0.00 C +ATOM 31 CA GLY A 31 255.444 248.458 269.974 1.00 0.00 C +ATOM 32 CA GLU A 32 252.754 245.766 269.779 1.00 0.00 C +ATOM 33 CA SER A 33 251.598 245.002 266.230 1.00 0.00 C +ATOM 34 CA SER A 34 248.597 244.128 264.052 1.00 0.00 C +ATOM 35 CA ALA A 35 245.752 246.466 263.075 1.00 0.00 C +ATOM 36 CA PRO A 36 244.765 245.697 259.476 1.00 0.00 C +ATOM 37 CA ALA A 37 242.965 246.790 256.301 1.00 0.00 C +ATOM 38 CA THR A 38 244.019 244.247 253.666 1.00 0.00 C +ATOM 39 CA ARG A 39 246.516 241.655 252.418 1.00 0.00 C +ATOM 40 CA GLU A 40 247.445 238.271 250.932 1.00 0.00 C +ATOM 41 CA GLY A 41 249.153 234.895 250.485 1.00 0.00 C +ATOM 42 CA VAL A 42 247.496 232.700 247.848 1.00 0.00 C +ATOM 43 CA LYS A 43 247.066 232.414 244.073 1.00 0.00 C +ATOM 44 CA VAL A 44 245.061 233.365 240.976 1.00 0.00 C +ATOM 45 CA ALA A 45 242.756 236.189 239.867 1.00 0.00 C +ATOM 46 CA ILE A 46 239.525 238.200 240.038 1.00 0.00 C +ATOM 47 CA PRO A 47 238.940 241.586 241.684 1.00 0.00 C +ATOM 48 CA ASN A 48 236.049 241.170 244.131 1.00 0.00 C +ATOM 49 CA GLY A 49 233.162 238.684 244.133 1.00 0.00 C +ATOM 50 CA SER A 50 230.478 239.273 246.772 1.00 0.00 C +ATOM 51 CA GLY A 51 228.151 239.340 249.789 1.00 0.00 C +ATOM 52 CA GLU A 52 226.273 239.017 253.088 1.00 0.00 C +ATOM 53 CA ARG A 53 227.281 236.147 255.381 1.00 0.00 C +ATOM 54 CA ASP A 54 230.409 234.151 256.243 1.00 0.00 C +ATOM 55 CA ARG A 55 232.698 232.925 253.455 1.00 0.00 C +ATOM 56 CA LYS A 56 232.952 234.930 250.225 1.00 0.00 C +ATOM 57 CA GLN A 57 236.540 236.044 249.596 1.00 0.00 C +ATOM 58 CA THR A 58 239.455 238.382 248.849 1.00 0.00 C +ATOM 59 CA ARG A 59 241.946 241.069 247.805 1.00 0.00 C +ATOM 60 CA THR A 60 244.856 242.014 245.535 1.00 0.00 C +ATOM 61 CA GLU A 61 244.595 245.798 245.168 1.00 0.00 C +ATOM 62 CA ARG A 62 243.527 249.415 244.634 1.00 0.00 C +ATOM 63 CA LEU A 63 244.212 251.990 247.358 1.00 0.00 C +ATOM 64 CA ARG A 64 246.193 254.098 249.836 1.00 0.00 C +ATOM 65 CA GLY A 65 249.556 254.723 251.516 1.00 0.00 C +ATOM 66 CA GLU A 66 252.962 256.257 252.266 1.00 0.00 C +ATOM 67 CA THR A 67 255.430 256.017 249.374 1.00 0.00 C +ATOM 68 CA PRO A 68 256.497 255.174 245.815 1.00 0.00 C +ATOM 69 CA GLY A 69 259.123 257.624 244.541 1.00 0.00 C +ATOM 70 CA GLN A 70 262.719 256.648 245.338 1.00 0.00 C +ATOM 71 CA LEU A 71 264.520 253.624 243.880 1.00 0.00 C +ATOM 72 CA LEU A 72 267.441 254.924 241.809 1.00 0.00 C +ATOM 73 CA LEU A 73 268.794 253.300 238.638 1.00 0.00 C +ATOM 74 CA GLU A 74 270.048 253.899 235.091 1.00 0.00 C +ATOM 75 CA ILE A 75 271.939 250.837 233.840 1.00 0.00 C +ATOM 76 CA MET A 76 273.079 248.736 236.807 1.00 0.00 C +ATOM 77 CA PRO A 77 275.675 245.960 236.552 1.00 0.00 C +ATOM 78 CA GLU A 78 275.003 242.213 236.384 1.00 0.00 C +ATOM 79 CA ASP A 79 277.703 239.536 236.138 1.00 0.00 C +ATOM 80 CA GLU A 80 278.766 237.704 232.971 1.00 0.00 C +ATOM 81 CA VAL A 81 277.846 239.217 229.598 1.00 0.00 C +ATOM 82 CA SER A 82 277.262 236.313 227.201 1.00 0.00 C +ATOM 83 CA ARG A 83 276.333 232.872 228.545 1.00 0.00 C +ATOM 84 CA GLU A 84 273.206 231.359 226.980 1.00 0.00 C +ATOM 85 CA SER A 85 270.760 228.867 225.456 1.00 0.00 C +ATOM 86 CA GLY A 86 267.732 230.555 223.878 1.00 0.00 C +ATOM 87 CA SER A 87 266.155 233.764 225.197 1.00 0.00 C +ATOM 88 CA LYS A 88 265.879 237.326 226.518 1.00 0.00 C +ATOM 89 CA PRO A 89 264.931 241.007 226.779 1.00 0.00 C +ATOM 90 CA PRO A 90 262.333 243.369 228.260 1.00 0.00 C +ATOM 91 CA TRP A 91 259.340 244.288 230.431 1.00 0.00 C +ATOM 92 CA GLY A 92 256.226 246.449 230.813 1.00 0.00 C +ATOM 93 CA SER A 93 254.637 247.395 227.482 1.00 0.00 C +ATOM 94 CA LYS A 94 253.306 248.119 223.986 1.00 0.00 C +TER 95 LYS A 94 +END diff --git a/Viruses/Q3LUB6/Q3LUB6.dcd b/Viruses/Q3LUB6/Q3LUB6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b5c8e02423aa44cd1b8d5600a6a0a0801f015251 --- /dev/null +++ b/Viruses/Q3LUB6/Q3LUB6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e6fa7f205fddd5b90c3ca7fa963521216d5ae624f594100556e6bbf86ffa8299 +size 12080276 diff --git a/Viruses/Q3LUB6/top.pdb b/Viruses/Q3LUB6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7a8e97f37d2cf1ad4a15b34b68d63a23ff290ed9 --- /dev/null +++ b/Viruses/Q3LUB6/top.pdb @@ -0,0 +1,98 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ILE A 1 208.422 277.180 263.496 1.00 0.00 C +ATOM 2 CA ALA A 2 205.942 275.245 265.645 1.00 0.00 C +ATOM 3 CA SER A 3 206.938 273.007 268.563 1.00 0.00 C +ATOM 4 CA GLN A 4 209.888 272.263 270.856 1.00 0.00 C +ATOM 5 CA PRO A 5 212.575 270.951 268.495 1.00 0.00 C +ATOM 6 CA GLY A 6 213.761 269.795 265.063 1.00 0.00 C +ATOM 7 CA ASP A 7 217.323 270.743 264.100 1.00 0.00 C +ATOM 8 CA GLU A 8 217.969 272.126 260.609 1.00 0.00 C +ATOM 9 CA ARG A 9 217.466 270.100 257.422 1.00 0.00 C +ATOM 10 CA THR A 10 219.733 267.317 256.143 1.00 0.00 C +ATOM 11 CA ALA A 11 221.844 264.360 257.291 1.00 0.00 C +ATOM 12 CA ARG A 12 224.686 261.991 256.384 1.00 0.00 C +ATOM 13 CA GLY A 13 226.658 263.573 253.533 1.00 0.00 C +ATOM 14 CA THR A 14 229.803 265.177 252.101 1.00 0.00 C +ATOM 15 CA GLY A 15 232.946 264.402 254.111 1.00 0.00 C +ATOM 16 CA PRO A 16 233.112 260.887 255.573 1.00 0.00 C +ATOM 17 CA GLY A 17 233.387 257.112 255.139 1.00 0.00 C +ATOM 18 CA GLN A 18 231.807 254.122 253.384 1.00 0.00 C +ATOM 19 CA ALA A 19 233.881 251.107 252.324 1.00 0.00 C +ATOM 20 CA GLN A 20 235.960 250.067 249.305 1.00 0.00 C +ATOM 21 CA VAL A 21 236.282 251.774 245.914 1.00 0.00 C +ATOM 22 CA SER A 22 238.103 254.262 243.676 1.00 0.00 C +ATOM 23 CA PHE A 23 239.414 252.496 240.564 1.00 0.00 C +ATOM 24 CA LEU A 24 239.490 250.800 237.153 1.00 0.00 C +ATOM 25 CA GLN A 25 238.257 247.348 236.116 1.00 0.00 C +ATOM 26 CA HIS A 26 236.944 246.037 232.789 1.00 0.00 C +ATOM 27 CA GLN A 27 233.207 245.508 232.266 1.00 0.00 C +ATOM 28 CA THR A 28 232.054 242.138 230.914 1.00 0.00 C +ATOM 29 CA GLY A 29 234.884 239.668 230.276 1.00 0.00 C +ATOM 30 CA GLY A 30 238.192 238.021 229.349 1.00 0.00 C +ATOM 31 CA GLY A 31 239.654 234.895 227.734 1.00 0.00 C +ATOM 32 CA GLU A 32 237.968 231.480 227.620 1.00 0.00 C +ATOM 33 CA SER A 33 235.595 229.133 229.457 1.00 0.00 C +ATOM 34 CA SER A 34 234.691 227.160 232.589 1.00 0.00 C +ATOM 35 CA ALA A 35 236.583 226.586 235.845 1.00 0.00 C +ATOM 36 CA PRO A 36 240.386 226.741 236.016 1.00 0.00 C +ATOM 37 CA VAL A 37 241.573 228.627 232.926 1.00 0.00 C +ATOM 38 CA THR A 38 244.981 227.302 231.857 1.00 0.00 C +ATOM 39 CA ARG A 39 248.410 228.085 230.391 1.00 0.00 C +ATOM 40 CA GLU A 40 251.248 226.788 232.577 1.00 0.00 C +ATOM 41 CA GLY A 41 252.046 225.781 236.164 1.00 0.00 C +ATOM 42 CA GLY A 42 251.882 227.225 239.686 1.00 0.00 C +ATOM 43 CA GLN A 43 252.466 230.430 241.663 1.00 0.00 C +ATOM 44 CA SER A 44 252.053 233.741 239.824 1.00 0.00 C +ATOM 45 CA CYS A 45 253.574 233.482 236.340 1.00 0.00 C +ATOM 46 CA HIS A 46 253.689 236.045 233.523 1.00 0.00 C +ATOM 47 CA PRO A 47 250.276 236.485 231.888 1.00 0.00 C +ATOM 48 CA LYS A 48 248.901 239.972 231.208 1.00 0.00 C +ATOM 49 CA ARG A 49 246.665 243.053 231.360 1.00 0.00 C +ATOM 50 CA ILE A 50 247.634 246.728 231.635 1.00 0.00 C +ATOM 51 CA ARG A 51 250.356 249.093 232.864 1.00 0.00 C +ATOM 52 CA ARG A 52 252.355 248.081 235.946 1.00 0.00 C +ATOM 53 CA LYS A 53 255.744 249.809 235.745 1.00 0.00 C +ATOM 54 CA GLY A 54 257.292 253.289 235.662 1.00 0.00 C +ATOM 55 CA GLN A 55 258.889 255.395 232.917 1.00 0.00 C +ATOM 56 CA LYS A 56 257.464 254.970 229.410 1.00 0.00 C +ATOM 57 CA ALA A 57 255.356 251.983 228.337 1.00 0.00 C +ATOM 58 CA ASN A 58 255.920 248.243 228.792 1.00 0.00 C +ATOM 59 CA THR A 59 259.257 247.424 227.145 1.00 0.00 C +ATOM 60 CA PRO A 60 262.113 246.453 229.471 1.00 0.00 C +ATOM 61 CA ARG A 61 264.537 247.404 232.253 1.00 0.00 C +ATOM 62 CA LYS A 62 266.207 247.654 235.669 1.00 0.00 C +ATOM 63 CA ALA A 63 268.663 250.063 237.305 1.00 0.00 C +ATOM 64 CA GLN A 64 271.776 251.873 236.061 1.00 0.00 C +ATOM 65 CA ARG A 65 272.619 254.491 238.698 1.00 0.00 C +ATOM 66 CA ARG A 66 273.932 257.150 241.089 1.00 0.00 C +ATOM 67 CA ASP A 67 274.699 257.347 244.816 1.00 0.00 C +ATOM 68 CA PRO A 68 277.844 256.710 246.871 1.00 0.00 C +ATOM 69 CA ARG A 69 277.855 253.858 249.397 1.00 0.00 C +ATOM 70 CA PRO A 70 275.160 254.190 252.070 1.00 0.00 C +ATOM 71 CA THR A 71 273.432 253.857 255.449 1.00 0.00 C +ATOM 72 CA ALA A 72 271.801 250.534 256.351 1.00 0.00 C +ATOM 73 CA PRO A 73 273.937 248.757 258.958 1.00 0.00 C +ATOM 74 CA GLY A 74 276.368 251.313 260.397 1.00 0.00 C +ATOM 75 CA ASN A 75 276.808 252.695 263.920 1.00 0.00 C +ATOM 76 CA HIS A 76 277.888 251.739 267.447 1.00 0.00 C +ATOM 77 CA ALA A 77 281.109 251.756 269.483 1.00 0.00 C +ATOM 78 CA ARG A 78 282.627 254.801 271.196 1.00 0.00 C +ATOM 79 CA GLY A 79 285.260 253.354 273.539 1.00 0.00 C +ATOM 80 CA TRP A 80 284.745 253.586 277.307 1.00 0.00 C +ATOM 81 CA VAL A 81 282.685 254.434 280.397 1.00 0.00 C +ATOM 82 CA SER A 82 280.257 254.667 283.324 1.00 0.00 C +ATOM 83 CA ARG A 83 277.623 252.006 284.031 1.00 0.00 C +ATOM 84 CA GLU A 84 273.933 252.229 283.110 1.00 0.00 C +ATOM 85 CA SER A 85 270.734 252.679 285.131 1.00 0.00 C +ATOM 86 CA GLY A 86 267.314 254.259 284.562 1.00 0.00 C +ATOM 87 CA GLN A 87 263.970 252.484 284.137 1.00 0.00 C +ATOM 88 CA ASN A 88 261.979 252.824 280.907 1.00 0.00 C +ATOM 89 CA PRO A 89 258.573 252.955 279.204 1.00 0.00 C +ATOM 90 CA ARG A 90 256.105 250.702 277.374 1.00 0.00 C +ATOM 91 CA GLY A 91 253.188 251.430 275.034 1.00 0.00 C +ATOM 92 CA ALA A 92 252.412 249.511 271.835 1.00 0.00 C +ATOM 93 CA GLN A 93 252.347 246.356 269.702 1.00 0.00 C +ATOM 94 CA ARG A 94 255.664 246.275 267.828 1.00 0.00 C +TER 95 ARG A 94 +END diff --git a/Viruses/Q3LWP3/Q3LWP3.dcd b/Viruses/Q3LWP3/Q3LWP3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..0e9aafb7b8975e7a38f49b9cbfd7c98a19ea1d48 --- /dev/null +++ b/Viruses/Q3LWP3/Q3LWP3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1115389c4af1a24b827e00ab8cd09586562983f51533286ac04105ee5c3c1ae4 +size 17360276 diff --git a/Viruses/Q3LWP3/top.pdb b/Viruses/Q3LWP3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7502070137218097db7e7102da61ef4397e78486 --- /dev/null +++ b/Viruses/Q3LWP3/top.pdb @@ -0,0 +1,142 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLU A 1 249.582 242.247 231.174 1.00 0.00 C +ATOM 2 CA GLY A 2 249.692 238.593 232.249 1.00 0.00 C +ATOM 3 CA LYS A 3 250.333 237.405 235.812 1.00 0.00 C +ATOM 4 CA GLY A 4 251.921 234.516 237.721 1.00 0.00 C +ATOM 5 CA PRO A 5 254.267 232.594 235.415 1.00 0.00 C +ATOM 6 CA GLU A 6 254.674 228.816 235.148 1.00 0.00 C +ATOM 7 CA LEU A 7 253.171 226.047 237.292 1.00 0.00 C +ATOM 8 CA MET A 8 249.400 226.472 237.629 1.00 0.00 C +ATOM 9 CA GLY A 9 246.108 226.510 239.547 1.00 0.00 C +ATOM 10 CA PRO A 10 245.415 225.438 243.136 1.00 0.00 C +ATOM 11 CA SER A 11 245.551 226.421 246.815 1.00 0.00 C +ATOM 12 CA GLU A 12 246.345 227.595 250.352 1.00 0.00 C +ATOM 13 CA SER A 13 247.549 231.201 250.609 1.00 0.00 C +ATOM 14 CA LYS A 14 246.247 233.169 253.600 1.00 0.00 C +ATOM 15 CA PRO A 15 244.679 232.308 256.964 1.00 0.00 C +ATOM 16 CA ARG A 16 247.599 231.993 259.390 1.00 0.00 C +ATOM 17 CA GLY A 17 250.083 229.575 257.810 1.00 0.00 C +ATOM 18 CA PRO A 18 250.835 226.331 259.661 1.00 0.00 C +ATOM 19 CA SER A 19 247.735 225.463 261.700 1.00 0.00 C +ATOM 20 CA PRO A 20 244.497 224.839 263.607 1.00 0.00 C +ATOM 21 CA LEU A 21 240.779 225.588 263.242 1.00 0.00 C +ATOM 22 CA PRO A 22 237.583 223.566 263.702 1.00 0.00 C +ATOM 23 CA ALA A 23 235.710 222.856 260.461 1.00 0.00 C +ATOM 24 CA GLY A 24 235.917 221.264 257.005 1.00 0.00 C +ATOM 25 CA GLN A 25 233.686 218.184 256.773 1.00 0.00 C +ATOM 26 CA VAL A 26 230.121 219.517 256.948 1.00 0.00 C +ATOM 27 CA PRO A 27 228.592 219.390 260.436 1.00 0.00 C +ATOM 28 CA VAL A 28 229.834 218.153 263.818 1.00 0.00 C +ATOM 29 CA THR A 29 228.535 219.274 267.221 1.00 0.00 C +ATOM 30 CA LEU A 30 224.973 220.401 267.967 1.00 0.00 C +ATOM 31 CA GLN A 31 225.149 222.800 270.921 1.00 0.00 C +ATOM 32 CA PRO A 32 224.643 223.827 274.555 1.00 0.00 C +ATOM 33 CA GLN A 33 223.781 223.490 278.251 1.00 0.00 C +ATOM 34 CA LYS A 34 221.185 226.041 279.377 1.00 0.00 C +ATOM 35 CA GLN A 35 222.017 228.948 281.694 1.00 0.00 C +ATOM 36 CA VAL A 36 219.078 231.167 282.671 1.00 0.00 C +ATOM 37 CA LYS A 37 219.006 231.485 286.467 1.00 0.00 C +ATOM 38 CA GLU A 38 215.377 231.649 287.617 1.00 0.00 C +ATOM 39 CA ASN A 39 214.015 228.204 288.507 1.00 0.00 C +ATOM 40 CA LYS A 40 211.351 227.298 291.075 1.00 0.00 C +ATOM 41 CA THR A 41 208.686 230.017 290.928 1.00 0.00 C +ATOM 42 CA GLN A 42 206.571 233.073 290.090 1.00 0.00 C +ATOM 43 CA PRO A 43 206.187 236.808 289.443 1.00 0.00 C +ATOM 44 CA PRO A 44 208.040 237.796 286.264 1.00 0.00 C +ATOM 45 CA VAL A 45 209.427 236.371 283.014 1.00 0.00 C +ATOM 46 CA ALA A 46 212.631 236.759 280.989 1.00 0.00 C +ATOM 47 CA TYR A 47 214.628 239.927 281.691 1.00 0.00 C +ATOM 48 CA GLN A 48 216.876 242.953 281.133 1.00 0.00 C +ATOM 49 CA TYR A 49 219.289 242.991 278.185 1.00 0.00 C +ATOM 50 CA TRP A 50 223.017 243.469 277.561 1.00 0.00 C +ATOM 51 CA PRO A 51 225.950 241.044 277.748 1.00 0.00 C +ATOM 52 CA PRO A 52 228.436 241.405 274.883 1.00 0.00 C +ATOM 53 CA ALA A 53 227.820 244.260 272.437 1.00 0.00 C +ATOM 54 CA GLU A 54 228.354 248.032 272.487 1.00 0.00 C +ATOM 55 CA LEU A 55 227.214 249.819 275.654 1.00 0.00 C +ATOM 56 CA GLN A 56 228.106 249.574 279.350 1.00 0.00 C +ATOM 57 CA TYR A 57 228.097 245.943 280.502 1.00 0.00 C +ATOM 58 CA GLN A 58 228.671 243.406 283.286 1.00 0.00 C +ATOM 59 CA PRO A 59 231.846 241.313 283.525 1.00 0.00 C +ATOM 60 CA PRO A 60 231.181 238.014 281.738 1.00 0.00 C +ATOM 61 CA PRO A 61 232.927 236.120 278.932 1.00 0.00 C +ATOM 62 CA GLU A 62 235.991 237.734 277.343 1.00 0.00 C +ATOM 63 CA SER A 63 238.002 240.253 279.374 1.00 0.00 C +ATOM 64 CA GLN A 64 240.353 242.351 277.233 1.00 0.00 C +ATOM 65 CA TYR A 65 241.498 245.199 274.976 1.00 0.00 C +ATOM 66 CA GLY A 66 242.717 247.820 272.494 1.00 0.00 C +ATOM 67 CA TYR A 67 245.795 249.732 273.671 1.00 0.00 C +ATOM 68 CA PRO A 68 246.105 252.973 271.692 1.00 0.00 C +ATOM 69 CA GLY A 69 245.199 256.548 270.736 1.00 0.00 C +ATOM 70 CA MET A 70 243.218 259.132 268.759 1.00 0.00 C +ATOM 71 CA PRO A 71 242.449 262.336 266.845 1.00 0.00 C +ATOM 72 CA PRO A 72 242.616 265.949 265.646 1.00 0.00 C +ATOM 73 CA ALA A 73 243.431 269.655 265.304 1.00 0.00 C +ATOM 74 CA PRO A 74 241.980 273.178 265.311 1.00 0.00 C +ATOM 75 CA GLN A 75 239.194 274.401 267.604 1.00 0.00 C +ATOM 76 CA GLY A 76 238.067 277.560 269.411 1.00 0.00 C +ATOM 77 CA ARG A 77 239.923 280.178 271.464 1.00 0.00 C +ATOM 78 CA ALA A 78 239.299 283.865 270.735 1.00 0.00 C +ATOM 79 CA PRO A 79 238.997 285.390 267.256 1.00 0.00 C +ATOM 80 CA TYR A 80 239.180 284.115 263.671 1.00 0.00 C +ATOM 81 CA PRO A 81 242.143 284.457 261.300 1.00 0.00 C +ATOM 82 CA GLN A 82 244.387 285.072 258.284 1.00 0.00 C +ATOM 83 CA PRO A 83 245.511 281.902 256.493 1.00 0.00 C +ATOM 84 CA PRO A 84 243.544 281.086 253.334 1.00 0.00 C +ATOM 85 CA THR A 85 243.128 278.050 251.071 1.00 0.00 C +ATOM 86 CA ARG A 86 244.923 274.858 250.017 1.00 0.00 C +ATOM 87 CA ARG A 87 246.485 271.500 249.125 1.00 0.00 C +ATOM 88 CA LEU A 88 249.053 268.688 249.010 1.00 0.00 C +ATOM 89 CA ASN A 89 251.783 266.046 248.721 1.00 0.00 C +ATOM 90 CA PRO A 90 254.421 265.738 245.989 1.00 0.00 C +ATOM 91 CA THR A 91 254.930 265.627 242.215 1.00 0.00 C +ATOM 92 CA ALA A 92 252.019 265.430 239.765 1.00 0.00 C +ATOM 93 CA PRO A 93 251.149 263.867 236.401 1.00 0.00 C +ATOM 94 CA PRO A 94 250.058 264.270 232.772 1.00 0.00 C +ATOM 95 CA SER A 95 250.780 261.144 230.717 1.00 0.00 C +ATOM 96 CA ARG A 96 248.254 260.138 228.048 1.00 0.00 C +ATOM 97 CA GLN A 97 248.329 262.692 225.222 1.00 0.00 C +ATOM 98 CA GLY A 98 245.250 262.083 223.063 1.00 0.00 C +ATOM 99 CA SER A 99 245.213 258.601 221.517 1.00 0.00 C +ATOM 100 CA GLU A 100 244.157 254.963 221.921 1.00 0.00 C +ATOM 101 CA LEU A 101 244.448 252.065 224.377 1.00 0.00 C +ATOM 102 CA HIS A 102 247.800 250.456 225.207 1.00 0.00 C +ATOM 103 CA GLU A 103 251.291 249.032 224.654 1.00 0.00 C +ATOM 104 CA ILE A 104 253.796 251.781 223.827 1.00 0.00 C +ATOM 105 CA ILE A 105 257.353 251.830 222.461 1.00 0.00 C +ATOM 106 CA ASP A 106 259.596 253.426 225.095 1.00 0.00 C +ATOM 107 CA LYS A 107 263.167 252.397 224.256 1.00 0.00 C +ATOM 108 CA SER A 108 264.470 249.216 225.899 1.00 0.00 C +ATOM 109 CA ARG A 109 267.601 248.103 224.035 1.00 0.00 C +ATOM 110 CA LYS A 110 268.461 250.970 221.677 1.00 0.00 C +ATOM 111 CA GLU A 111 270.609 250.217 218.621 1.00 0.00 C +ATOM 112 CA ARG A 112 273.076 251.830 216.208 1.00 0.00 C +ATOM 113 CA ASP A 113 272.924 252.509 212.462 1.00 0.00 C +ATOM 114 CA THR A 114 275.677 254.022 210.306 1.00 0.00 C +ATOM 115 CA GLU A 115 277.109 257.516 209.799 1.00 0.00 C +ATOM 116 CA ALA A 116 278.759 259.006 212.893 1.00 0.00 C +ATOM 117 CA TRP A 117 282.210 260.350 212.001 1.00 0.00 C +ATOM 118 CA GLN A 118 283.914 262.825 214.344 1.00 0.00 C +ATOM 119 CA LEU A 119 287.230 264.654 213.931 1.00 0.00 C +ATOM 120 CA PRO A 120 290.535 265.947 215.318 1.00 0.00 C +ATOM 121 CA VAL A 121 292.125 269.164 214.039 1.00 0.00 C +ATOM 122 CA MET A 122 290.921 272.046 211.857 1.00 0.00 C +ATOM 123 CA LEU A 123 291.117 275.556 210.387 1.00 0.00 C +ATOM 124 CA GLU A 124 294.722 276.657 209.831 1.00 0.00 C +ATOM 125 CA PRO A 125 297.443 279.266 210.388 1.00 0.00 C +ATOM 126 CA MET A 126 300.741 278.764 208.547 1.00 0.00 C +ATOM 127 CA PRO A 127 304.413 277.880 209.046 1.00 0.00 C +ATOM 128 CA PRO A 128 306.624 274.832 208.467 1.00 0.00 C +ATOM 129 CA GLY A 129 309.209 273.057 210.631 1.00 0.00 C +ATOM 130 CA GLU A 130 310.144 272.462 214.276 1.00 0.00 C +ATOM 131 CA GLY A 131 307.369 273.500 216.672 1.00 0.00 C +ATOM 132 CA ALA A 132 303.796 272.878 217.839 1.00 0.00 C +ATOM 133 CA GLN A 133 303.915 272.762 221.645 1.00 0.00 C +ATOM 134 CA GLU A 134 303.068 271.162 224.998 1.00 0.00 C +ATOM 135 CA GLY A 135 305.843 269.181 226.698 1.00 0.00 C +ATOM 136 CA GLU A 136 308.486 266.492 226.153 1.00 0.00 C +ATOM 137 CA PRO A 137 309.291 262.770 226.025 1.00 0.00 C +ATOM 138 CA LEU A 138 310.255 259.108 226.444 1.00 0.00 C +TER 139 LEU A 138 +END diff --git a/Viruses/Q3S669/Q3S669.dcd b/Viruses/Q3S669/Q3S669.dcd new file mode 100644 index 0000000000000000000000000000000000000000..ae31f3041040133d3e2b905d7ce961424cd8b7af --- /dev/null +++ b/Viruses/Q3S669/Q3S669.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:538790d774b5327de713648e0da234dcff7b345946bd2ff5f115e5b5f9d6f2af +size 13880276 diff --git a/Viruses/Q3S669/top.pdb b/Viruses/Q3S669/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7883142e8ff43b3f196a5390b44c1c5ebfbc43f2 --- /dev/null +++ b/Viruses/Q3S669/top.pdb @@ -0,0 +1,113 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLU A 1 287.878 210.660 227.941 1.00 0.00 C +ATOM 2 CA LEU A 2 285.855 213.884 228.124 1.00 0.00 C +ATOM 3 CA LYS A 3 282.304 214.979 228.964 1.00 0.00 C +ATOM 4 CA LEU A 4 280.319 212.482 231.049 1.00 0.00 C +ATOM 5 CA THR A 5 279.022 209.212 229.585 1.00 0.00 C +ATOM 6 CA PRO A 6 275.750 210.190 227.897 1.00 0.00 C +ATOM 7 CA ALA A 7 272.473 209.226 229.586 1.00 0.00 C +ATOM 8 CA ALA A 8 271.330 205.860 228.214 1.00 0.00 C +ATOM 9 CA ARG A 9 271.665 205.395 224.448 1.00 0.00 C +ATOM 10 CA ARG A 10 270.300 207.401 221.510 1.00 0.00 C +ATOM 11 CA GLY A 11 268.465 210.643 220.712 1.00 0.00 C +ATOM 12 CA LEU A 12 267.081 212.961 223.401 1.00 0.00 C +ATOM 13 CA ALA A 13 264.640 213.807 226.201 1.00 0.00 C +ATOM 14 CA ALA A 14 263.267 215.266 229.442 1.00 0.00 C +ATOM 15 CA ALA A 15 261.302 218.505 229.036 1.00 0.00 C +ATOM 16 CA ALA A 16 258.814 220.662 227.121 1.00 0.00 C +ATOM 17 CA GLN A 17 255.884 223.085 226.875 1.00 0.00 C +ATOM 18 CA ARG A 18 254.528 226.637 226.631 1.00 0.00 C +ATOM 19 CA ALA A 19 255.116 230.398 226.791 1.00 0.00 C +ATOM 20 CA PRO A 20 254.221 234.032 227.504 1.00 0.00 C +ATOM 21 CA GLU A 21 253.372 237.514 226.211 1.00 0.00 C +ATOM 22 CA GLU A 22 253.809 240.812 228.069 1.00 0.00 C +ATOM 23 CA THR A 23 253.203 243.580 225.523 1.00 0.00 C +ATOM 24 CA GLY A 24 255.216 246.760 226.115 1.00 0.00 C +ATOM 25 CA SER A 25 258.490 247.547 224.334 1.00 0.00 C +ATOM 26 CA MET A 26 261.226 247.561 226.986 1.00 0.00 C +ATOM 27 CA ASP A 27 264.178 246.598 229.193 1.00 0.00 C +ATOM 28 CA ILE A 28 267.105 248.738 230.363 1.00 0.00 C +ATOM 29 CA PRO A 29 268.752 250.056 233.535 1.00 0.00 C +ATOM 30 CA THR A 30 272.391 248.946 233.325 1.00 0.00 C +ATOM 31 CA GLN A 31 273.943 246.565 230.787 1.00 0.00 C +ATOM 32 CA GLN A 32 277.727 246.129 230.851 1.00 0.00 C +ATOM 33 CA ALA A 33 279.901 247.476 233.675 1.00 0.00 C +ATOM 34 CA GLY A 34 282.724 249.776 232.556 1.00 0.00 C +ATOM 35 CA VAL A 35 282.316 252.897 230.409 1.00 0.00 C +ATOM 36 CA LEU A 36 282.660 256.678 230.092 1.00 0.00 C +ATOM 37 CA THR A 37 281.642 260.197 229.045 1.00 0.00 C +ATOM 38 CA GLY A 38 281.635 261.589 225.498 1.00 0.00 C +ATOM 39 CA LEU A 39 281.797 265.396 225.470 1.00 0.00 C +ATOM 40 CA SER A 40 281.918 266.974 228.936 1.00 0.00 C +ATOM 41 CA ASP A 41 279.669 269.282 230.969 1.00 0.00 C +ATOM 42 CA GLY A 42 278.412 269.678 234.544 1.00 0.00 C +ATOM 43 CA GLY A 43 277.609 269.362 238.255 1.00 0.00 C +ATOM 44 CA PRO A 44 273.918 268.594 238.802 1.00 0.00 C +ATOM 45 CA GLN A 45 272.778 266.290 235.990 1.00 0.00 C +ATOM 46 CA ALA A 46 271.074 263.382 237.768 1.00 0.00 C +ATOM 47 CA PRO A 47 267.295 263.838 237.589 1.00 0.00 C +ATOM 48 CA GLN A 48 264.117 262.916 239.477 1.00 0.00 C +ATOM 49 CA GLY A 49 261.936 260.789 241.765 1.00 0.00 C +ATOM 50 CA GLY A 50 261.588 258.410 244.721 1.00 0.00 C +ATOM 51 CA LEU A 51 259.556 260.137 247.442 1.00 0.00 C +ATOM 52 CA ASN A 52 257.853 260.707 250.802 1.00 0.00 C +ATOM 53 CA ARG A 53 259.409 263.824 252.344 1.00 0.00 C +ATOM 54 CA SER A 54 258.798 266.996 250.323 1.00 0.00 C +ATOM 55 CA GLN A 55 258.012 270.561 249.233 1.00 0.00 C +ATOM 56 CA GLY A 56 255.283 273.215 249.094 1.00 0.00 C +ATOM 57 CA GLN A 57 252.270 273.943 251.311 1.00 0.00 C +ATOM 58 CA PRO A 58 250.670 270.605 252.214 1.00 0.00 C +ATOM 59 CA ASP A 59 252.854 267.487 252.063 1.00 0.00 C +ATOM 60 CA ALA A 60 252.610 263.806 253.015 1.00 0.00 C +ATOM 61 CA GLY A 61 252.680 262.546 256.610 1.00 0.00 C +ATOM 62 CA ASP A 62 249.819 263.850 258.760 1.00 0.00 C +ATOM 63 CA GLY A 63 246.186 263.778 259.908 1.00 0.00 C +ATOM 64 CA GLU A 64 246.137 264.765 263.587 1.00 0.00 C +ATOM 65 CA THR A 65 244.450 267.348 265.823 1.00 0.00 C +ATOM 66 CA GLN A 66 242.037 270.020 264.577 1.00 0.00 C +ATOM 67 CA PHE A 67 239.413 271.570 262.289 1.00 0.00 C +ATOM 68 CA LEU A 68 236.803 272.745 259.775 1.00 0.00 C +ATOM 69 CA ASP A 69 234.029 270.860 257.966 1.00 0.00 C +ATOM 70 CA LEU A 70 233.110 269.408 254.566 1.00 0.00 C +ATOM 71 CA MET A 71 232.674 269.607 250.786 1.00 0.00 C +ATOM 72 CA ARG A 72 230.343 272.469 249.840 1.00 0.00 C +ATOM 73 CA ALA A 73 228.594 271.268 246.676 1.00 0.00 C +ATOM 74 CA VAL A 74 225.267 273.114 246.480 1.00 0.00 C +ATOM 75 CA ALA A 75 222.489 273.711 249.018 1.00 0.00 C +ATOM 76 CA ASN A 76 222.042 275.862 252.131 1.00 0.00 C +ATOM 77 CA SER A 77 223.124 275.093 255.702 1.00 0.00 C +ATOM 78 CA MET A 78 226.309 273.013 255.909 1.00 0.00 C +ATOM 79 CA ARG A 79 227.499 270.834 258.800 1.00 0.00 C +ATOM 80 CA GLU A 80 229.016 269.815 262.143 1.00 0.00 C +ATOM 81 CA ALA A 81 228.653 269.980 265.932 1.00 0.00 C +ATOM 82 CA PRO A 82 228.221 269.427 269.677 1.00 0.00 C +ATOM 83 CA ASN A 83 231.293 267.463 270.784 1.00 0.00 C +ATOM 84 CA SER A 84 230.460 264.071 272.305 1.00 0.00 C +ATOM 85 CA VAL A 85 227.742 261.744 270.997 1.00 0.00 C +ATOM 86 CA GLN A 86 225.602 263.498 268.378 1.00 0.00 C +ATOM 87 CA ASN A 87 222.050 262.122 268.464 1.00 0.00 C +ATOM 88 CA THR A 88 222.059 258.585 269.879 1.00 0.00 C +ATOM 89 CA ILE A 89 218.691 257.328 271.142 1.00 0.00 C +ATOM 90 CA GLN A 90 215.328 259.118 271.217 1.00 0.00 C +ATOM 91 CA GLN A 91 213.892 258.436 274.679 1.00 0.00 C +ATOM 92 CA GLU A 92 212.492 257.071 277.949 1.00 0.00 C +ATOM 93 CA PRO A 93 212.201 253.274 278.047 1.00 0.00 C +ATOM 94 CA PRO A 94 213.280 250.008 279.685 1.00 0.00 C +ATOM 95 CA SER A 95 211.001 248.123 282.087 1.00 0.00 C +ATOM 96 CA THR A 96 211.008 244.702 283.764 1.00 0.00 C +ATOM 97 CA PRO A 97 214.068 242.462 284.131 1.00 0.00 C +ATOM 98 CA GLY A 98 217.252 244.527 283.793 1.00 0.00 C +ATOM 99 CA PRO A 99 220.706 244.766 285.383 1.00 0.00 C +ATOM 100 CA SER A 100 223.607 242.311 285.655 1.00 0.00 C +ATOM 101 CA GLN A 101 224.638 240.013 288.514 1.00 0.00 C +ATOM 102 CA ASP A 102 227.177 237.182 288.281 1.00 0.00 C +ATOM 103 CA ASN A 103 230.486 236.573 286.493 1.00 0.00 C +ATOM 104 CA ASP A 104 232.409 233.290 286.688 1.00 0.00 C +ATOM 105 CA THR A 105 236.134 232.869 286.008 1.00 0.00 C +ATOM 106 CA ASP A 106 238.851 231.240 288.125 1.00 0.00 C +ATOM 107 CA TRP A 107 238.755 227.847 289.856 1.00 0.00 C +ATOM 108 CA GLY A 108 236.707 224.979 291.303 1.00 0.00 C +ATOM 109 CA TYR A 109 233.290 224.421 289.712 1.00 0.00 C +TER 110 TYR A 109 +END diff --git a/Viruses/Q3T244/Q3T244.dcd b/Viruses/Q3T244/Q3T244.dcd new file mode 100644 index 0000000000000000000000000000000000000000..6be16543a83ff3d77be2ca6b303a82723267a373 --- /dev/null +++ b/Viruses/Q3T244/Q3T244.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:61fb891895b050e0c4f8ab1b4a08c6bc6a0a8ca446c821e52ae7c501ea001950 +size 6320276 diff --git a/Viruses/Q3T244/top.pdb b/Viruses/Q3T244/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ff6707df9ad7a80c8bdcbc03c491ac0e65368679 --- /dev/null +++ b/Viruses/Q3T244/top.pdb @@ -0,0 +1,50 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 246.642 242.796 285.726 1.00 0.00 C +ATOM 2 CA GLY A 2 248.113 243.998 289.029 1.00 0.00 C +ATOM 3 CA GLY A 3 248.284 247.801 288.880 1.00 0.00 C +ATOM 4 CA LYS A 4 251.945 248.844 289.031 1.00 0.00 C +ATOM 5 CA TRP A 5 254.390 249.128 286.123 1.00 0.00 C +ATOM 6 CA SER A 6 255.901 251.780 283.843 1.00 0.00 C +ATOM 7 CA LYS A 7 253.924 255.001 284.329 1.00 0.00 C +ATOM 8 CA SER A 8 251.248 255.353 281.640 1.00 0.00 C +ATOM 9 CA SER A 9 248.640 255.917 278.921 1.00 0.00 C +ATOM 10 CA ILE A 10 250.098 258.392 276.417 1.00 0.00 C +ATOM 11 CA VAL A 11 252.708 258.468 273.643 1.00 0.00 C +ATOM 12 CA GLY A 12 253.053 260.680 270.560 1.00 0.00 C +ATOM 13 CA TRP A 13 255.966 259.645 268.333 1.00 0.00 C +ATOM 14 CA PRO A 14 254.618 256.727 266.288 1.00 0.00 C +ATOM 15 CA GLN A 15 255.130 253.101 267.339 1.00 0.00 C +ATOM 16 CA VAL A 16 254.624 250.020 265.154 1.00 0.00 C +ATOM 17 CA ARG A 17 253.381 248.375 261.950 1.00 0.00 C +ATOM 18 CA GLU A 18 255.002 245.601 259.903 1.00 0.00 C +ATOM 19 CA ARG A 19 253.009 244.220 256.964 1.00 0.00 C +ATOM 20 CA ILE A 20 254.693 242.287 254.145 1.00 0.00 C +ATOM 21 CA LYS A 21 257.766 241.355 252.095 1.00 0.00 C +ATOM 22 CA GLN A 22 260.414 239.333 250.248 1.00 0.00 C +ATOM 23 CA THR A 23 261.253 240.992 246.922 1.00 0.00 C +ATOM 24 CA PRO A 24 261.116 244.798 246.804 1.00 0.00 C +ATOM 25 CA PRO A 25 259.929 246.795 243.784 1.00 0.00 C +ATOM 26 CA ALA A 26 257.735 249.863 244.324 1.00 0.00 C +ATOM 27 CA THR A 27 256.758 253.409 245.317 1.00 0.00 C +ATOM 28 CA GLU A 28 257.212 255.888 242.459 1.00 0.00 C +ATOM 29 CA GLY A 29 258.673 256.278 238.962 1.00 0.00 C +ATOM 30 CA VAL A 30 257.179 255.764 235.495 1.00 0.00 C +ATOM 31 CA GLY A 31 254.913 254.948 232.543 1.00 0.00 C +ATOM 32 CA ALA A 32 251.788 252.777 232.352 1.00 0.00 C +ATOM 33 CA VAL A 33 248.722 255.035 232.215 1.00 0.00 C +ATOM 34 CA SER A 34 245.673 255.407 229.962 1.00 0.00 C +ATOM 35 CA GLN A 35 243.026 253.308 228.198 1.00 0.00 C +ATOM 36 CA ASP A 36 241.659 250.652 225.834 1.00 0.00 C +ATOM 37 CA LEU A 37 238.346 248.965 225.002 1.00 0.00 C +ATOM 38 CA ASP A 38 234.864 247.615 224.243 1.00 0.00 C +ATOM 39 CA LYS A 39 234.676 247.169 220.464 1.00 0.00 C +ATOM 40 CA HIS A 40 232.588 248.230 217.459 1.00 0.00 C +ATOM 41 CA GLY A 41 234.798 248.361 214.358 1.00 0.00 C +ATOM 42 CA ALA A 42 238.223 250.025 214.471 1.00 0.00 C +ATOM 43 CA VAL A 43 240.022 248.418 217.420 1.00 0.00 C +ATOM 44 CA THR A 44 241.720 245.049 216.892 1.00 0.00 C +ATOM 45 CA SER A 45 240.966 241.558 218.219 1.00 0.00 C +ATOM 46 CA SER A 46 238.613 239.875 215.740 1.00 0.00 C +TER 47 SER A 46 +END diff --git a/Viruses/Q3T364/Q3T364.dcd b/Viruses/Q3T364/Q3T364.dcd new file mode 100644 index 0000000000000000000000000000000000000000..3ea0dd49c98ea131e1c0f25f984c176a928d986f --- /dev/null +++ b/Viruses/Q3T364/Q3T364.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1528d089fd012dff145d590e721730fa1f6f5dd36730ae852863e8b9c6ae618d +size 6920276 diff --git a/Viruses/Q3T364/top.pdb b/Viruses/Q3T364/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..576d783ea0131c4a043336c07582c7875cbe6aa8 --- /dev/null +++ b/Viruses/Q3T364/top.pdb @@ -0,0 +1,55 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 238.406 240.528 240.722 1.00 0.00 C +ATOM 2 CA GLY A 2 241.866 238.956 240.992 1.00 0.00 C +ATOM 3 CA GLY A 3 245.149 239.880 242.691 1.00 0.00 C +ATOM 4 CA LYS A 4 247.768 242.616 243.101 1.00 0.00 C +ATOM 5 CA TRP A 5 249.000 244.321 239.924 1.00 0.00 C +ATOM 6 CA SER A 6 250.651 244.326 236.491 1.00 0.00 C +ATOM 7 CA LYS A 7 248.813 246.391 233.869 1.00 0.00 C +ATOM 8 CA CYS A 8 245.022 246.744 234.007 1.00 0.00 C +ATOM 9 CA SER A 9 242.733 244.993 236.500 1.00 0.00 C +ATOM 10 CA GLY A 10 242.256 246.524 239.956 1.00 0.00 C +ATOM 11 CA TRP A 11 243.044 249.200 242.550 1.00 0.00 C +ATOM 12 CA PRO A 12 244.243 252.542 243.932 1.00 0.00 C +ATOM 13 CA ALA A 13 243.468 256.220 244.557 1.00 0.00 C +ATOM 14 CA ILE A 14 241.363 258.062 241.971 1.00 0.00 C +ATOM 15 CA ARG A 15 238.950 260.365 243.812 1.00 0.00 C +ATOM 16 CA GLU A 16 236.822 260.323 246.972 1.00 0.00 C +ATOM 17 CA ARG A 17 237.118 256.863 248.540 1.00 0.00 C +ATOM 18 CA MET A 18 238.322 253.279 248.067 1.00 0.00 C +ATOM 19 CA ARG A 19 241.485 252.126 249.852 1.00 0.00 C +ATOM 20 CA ARG A 20 243.236 249.018 251.190 1.00 0.00 C +ATOM 21 CA THR A 21 247.014 249.317 250.805 1.00 0.00 C +ATOM 22 CA GLU A 22 248.218 252.783 249.779 1.00 0.00 C +ATOM 23 CA PRO A 23 251.173 255.140 250.260 1.00 0.00 C +ATOM 24 CA THR A 24 253.631 254.479 247.426 1.00 0.00 C +ATOM 25 CA ALA A 25 257.319 255.428 247.558 1.00 0.00 C +ATOM 26 CA GLU A 26 259.334 256.873 250.451 1.00 0.00 C +ATOM 27 CA PRO A 27 260.175 260.557 250.939 1.00 0.00 C +ATOM 28 CA ALA A 28 258.090 262.520 253.452 1.00 0.00 C +ATOM 29 CA ALA A 29 258.648 261.003 256.903 1.00 0.00 C +ATOM 30 CA GLU A 30 258.918 263.161 260.031 1.00 0.00 C +ATOM 31 CA GLY A 31 255.429 263.986 261.320 1.00 0.00 C +ATOM 32 CA VAL A 32 253.259 260.866 261.584 1.00 0.00 C +ATOM 33 CA GLY A 33 252.068 257.248 261.515 1.00 0.00 C +ATOM 34 CA ALA A 34 248.286 257.003 261.908 1.00 0.00 C +ATOM 35 CA ALA A 35 245.924 255.075 259.623 1.00 0.00 C +ATOM 36 CA SER A 36 247.027 253.567 256.302 1.00 0.00 C +ATOM 37 CA GLN A 37 249.221 250.607 257.269 1.00 0.00 C +ATOM 38 CA ASP A 38 247.833 247.187 258.215 1.00 0.00 C +ATOM 39 CA LEU A 39 249.453 244.390 256.197 1.00 0.00 C +ATOM 40 CA ALA A 40 249.502 240.654 255.453 1.00 0.00 C +ATOM 41 CA LYS A 41 251.682 238.240 257.437 1.00 0.00 C +ATOM 42 CA HIS A 42 254.894 236.497 258.515 1.00 0.00 C +ATOM 43 CA GLY A 43 257.118 234.966 255.827 1.00 0.00 C +ATOM 44 CA ALA A 44 259.227 236.600 253.107 1.00 0.00 C +ATOM 45 CA LEU A 45 262.818 237.155 254.252 1.00 0.00 C +ATOM 46 CA THR A 46 263.719 240.725 253.273 1.00 0.00 C +ATOM 47 CA ILE A 47 260.846 242.471 251.480 1.00 0.00 C +ATOM 48 CA ASN A 48 258.940 245.531 250.248 1.00 0.00 C +ATOM 49 CA ASN A 49 256.655 248.577 250.122 1.00 0.00 C +ATOM 50 CA THR A 50 256.745 250.545 253.383 1.00 0.00 C +ATOM 51 CA ALA A 51 257.117 253.570 255.669 1.00 0.00 C +TER 52 ALA A 51 +END diff --git a/Viruses/Q3T393/Q3T393.dcd b/Viruses/Q3T393/Q3T393.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c8daf47c6a89bf4adf12ec7e97e3e98710e1db44 --- /dev/null +++ b/Viruses/Q3T393/Q3T393.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a108453f0a39351e0b494c7ccbadd6e479e7409362ce3eda10f20e1ab0d835f2 +size 6920276 diff --git a/Viruses/Q3T393/top.pdb b/Viruses/Q3T393/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..536d364f6b4f3ee5ef75e1bd9b93fc04f91b7b9f --- /dev/null +++ b/Viruses/Q3T393/top.pdb @@ -0,0 +1,55 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 259.844 228.486 265.901 1.00 0.00 C +ATOM 2 CA GLY A 2 261.537 231.401 267.677 1.00 0.00 C +ATOM 3 CA GLY A 3 262.924 234.548 266.037 1.00 0.00 C +ATOM 4 CA LYS A 4 263.317 238.298 265.495 1.00 0.00 C +ATOM 5 CA TRP A 5 266.650 240.125 265.767 1.00 0.00 C +ATOM 6 CA SER A 6 267.744 241.514 269.142 1.00 0.00 C +ATOM 7 CA LYS A 7 269.531 240.860 272.443 1.00 0.00 C +ATOM 8 CA CYS A 8 273.016 242.073 273.394 1.00 0.00 C +ATOM 9 CA SER A 9 274.947 239.079 274.743 1.00 0.00 C +ATOM 10 CA GLY A 10 274.537 236.505 277.522 1.00 0.00 C +ATOM 11 CA TRP A 11 271.111 235.340 278.715 1.00 0.00 C +ATOM 12 CA PRO A 12 267.676 235.213 277.072 1.00 0.00 C +ATOM 13 CA ALA A 13 264.314 235.651 278.810 1.00 0.00 C +ATOM 14 CA VAL A 14 262.014 238.674 278.513 1.00 0.00 C +ATOM 15 CA ARG A 15 260.375 240.722 275.750 1.00 0.00 C +ATOM 16 CA GLU A 16 258.983 243.688 273.805 1.00 0.00 C +ATOM 17 CA ARG A 17 257.900 242.645 270.304 1.00 0.00 C +ATOM 18 CA MET A 18 256.023 239.337 270.522 1.00 0.00 C +ATOM 19 CA ARG A 19 254.144 237.343 267.875 1.00 0.00 C +ATOM 20 CA ARG A 20 251.256 239.357 266.421 1.00 0.00 C +ATOM 21 CA ALA A 21 250.857 240.093 262.704 1.00 0.00 C +ATOM 22 CA GLU A 22 248.910 241.289 259.655 1.00 0.00 C +ATOM 23 CA PRO A 23 249.860 242.061 256.047 1.00 0.00 C +ATOM 24 CA THR A 24 248.725 239.786 253.209 1.00 0.00 C +ATOM 25 CA ALA A 25 245.111 240.220 252.084 1.00 0.00 C +ATOM 26 CA GLU A 26 242.139 241.777 253.889 1.00 0.00 C +ATOM 27 CA PRO A 27 239.913 244.294 252.092 1.00 0.00 C +ATOM 28 CA THR A 28 237.655 246.212 249.697 1.00 0.00 C +ATOM 29 CA ALA A 29 238.094 248.547 246.718 1.00 0.00 C +ATOM 30 CA GLU A 30 238.701 249.185 243.012 1.00 0.00 C +ATOM 31 CA GLY A 31 237.995 250.672 239.575 1.00 0.00 C +ATOM 32 CA VAL A 32 241.416 251.644 238.208 1.00 0.00 C +ATOM 33 CA GLY A 33 241.557 252.680 234.544 1.00 0.00 C +ATOM 34 CA ALA A 34 238.520 253.313 232.331 1.00 0.00 C +ATOM 35 CA ALA A 35 236.329 256.333 233.099 1.00 0.00 C +ATOM 36 CA SER A 36 236.835 259.688 234.832 1.00 0.00 C +ATOM 37 CA GLN A 37 237.707 262.851 232.895 1.00 0.00 C +ATOM 38 CA ASP A 38 235.238 263.077 230.002 1.00 0.00 C +ATOM 39 CA LEU A 39 232.800 264.194 227.296 1.00 0.00 C +ATOM 40 CA ALA A 40 230.457 267.197 227.186 1.00 0.00 C +ATOM 41 CA ASN A 41 231.433 270.637 225.871 1.00 0.00 C +ATOM 42 CA HIS A 42 235.162 270.783 225.100 1.00 0.00 C +ATOM 43 CA GLY A 43 238.363 270.770 223.035 1.00 0.00 C +ATOM 44 CA ALA A 44 240.234 273.666 221.413 1.00 0.00 C +ATOM 45 CA LEU A 45 242.999 275.899 220.041 1.00 0.00 C +ATOM 46 CA THR A 46 246.282 273.967 220.063 1.00 0.00 C +ATOM 47 CA THR A 47 248.158 270.913 221.354 1.00 0.00 C +ATOM 48 CA SER A 48 249.678 267.930 223.174 1.00 0.00 C +ATOM 49 CA ASN A 49 246.918 266.578 225.427 1.00 0.00 C +ATOM 50 CA THR A 50 243.264 267.639 225.627 1.00 0.00 C +ATOM 51 CA ALA A 51 240.846 265.246 223.912 1.00 0.00 C +TER 52 ALA A 51 +END diff --git a/Viruses/Q3T5T1/Q3T5T1.dcd b/Viruses/Q3T5T1/Q3T5T1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..06d8c8cc428b72f3a5f616a83d2f1aaea6323bf0 --- /dev/null +++ b/Viruses/Q3T5T1/Q3T5T1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:82e7c9054a9c1a1b7797e1c7c6895eeb0e733c99b006afec22f4c7664dd05f41 +size 7400276 diff --git a/Viruses/Q3T5T1/top.pdb b/Viruses/Q3T5T1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..db4062e47f78f86f66f9a914f88eea53414cdbd7 --- /dev/null +++ b/Viruses/Q3T5T1/top.pdb @@ -0,0 +1,59 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LEU A 1 249.282 261.570 251.542 1.00 0.00 C +ATOM 2 CA GLN A 2 247.821 260.882 254.993 1.00 0.00 C +ATOM 3 CA SER A 3 247.028 259.453 258.434 1.00 0.00 C +ATOM 4 CA ARG A 4 247.104 255.659 258.097 1.00 0.00 C +ATOM 5 CA PRO A 5 248.341 252.067 257.806 1.00 0.00 C +ATOM 6 CA GLU A 6 246.735 250.237 254.875 1.00 0.00 C +ATOM 7 CA PRO A 7 245.443 248.711 251.632 1.00 0.00 C +ATOM 8 CA THR A 8 242.896 251.151 250.191 1.00 0.00 C +ATOM 9 CA ALA A 9 243.516 254.387 248.277 1.00 0.00 C +ATOM 10 CA PRO A 10 245.070 253.955 244.825 1.00 0.00 C +ATOM 11 CA ARG A 11 247.080 254.568 241.647 1.00 0.00 C +ATOM 12 CA PRO A 12 250.877 254.361 241.878 1.00 0.00 C +ATOM 13 CA GLU A 13 252.982 251.187 241.783 1.00 0.00 C +ATOM 14 CA PRO A 14 255.135 248.119 241.098 1.00 0.00 C +ATOM 15 CA THR A 15 255.596 246.341 237.760 1.00 0.00 C +ATOM 16 CA ALA A 16 259.065 244.840 237.288 1.00 0.00 C +ATOM 17 CA PRO A 17 261.614 247.613 237.862 1.00 0.00 C +ATOM 18 CA PRO A 18 260.780 251.301 238.334 1.00 0.00 C +ATOM 19 CA ALA A 19 257.343 252.019 236.854 1.00 0.00 C +ATOM 20 CA GLU A 20 255.792 255.200 238.265 1.00 0.00 C +ATOM 21 CA SER A 21 257.038 257.944 240.596 1.00 0.00 C +ATOM 22 CA PHE A 22 259.085 258.641 243.733 1.00 0.00 C +ATOM 23 CA ARG A 23 258.285 258.563 247.457 1.00 0.00 C +ATOM 24 CA PHE A 24 255.628 258.259 250.171 1.00 0.00 C +ATOM 25 CA GLU A 25 254.921 255.222 252.360 1.00 0.00 C +ATOM 26 CA GLU A 26 257.304 252.298 251.824 1.00 0.00 C +ATOM 27 CA THR A 27 261.032 252.951 252.257 1.00 0.00 C +ATOM 28 CA THR A 28 264.277 252.813 254.250 1.00 0.00 C +ATOM 29 CA PRO A 29 263.555 253.493 257.929 1.00 0.00 C +ATOM 30 CA ALA A 30 261.915 250.720 259.963 1.00 0.00 C +ATOM 31 CA PRO A 31 259.593 249.092 262.507 1.00 0.00 C +ATOM 32 CA ASN A 32 258.880 250.702 265.886 1.00 0.00 C +ATOM 33 CA GLN A 33 255.450 252.317 266.260 1.00 0.00 C +ATOM 34 CA GLU A 34 253.567 255.625 266.423 1.00 0.00 C +ATOM 35 CA PRO A 35 250.686 258.099 266.108 1.00 0.00 C +ATOM 36 CA LYS A 36 247.314 257.008 267.506 1.00 0.00 C +ATOM 37 CA ASP A 37 244.353 256.029 265.318 1.00 0.00 C +ATOM 38 CA ARG A 38 241.882 254.042 263.206 1.00 0.00 C +ATOM 39 CA GLU A 39 241.445 250.738 265.052 1.00 0.00 C +ATOM 40 CA PRO A 40 239.575 247.495 264.346 1.00 0.00 C +ATOM 41 CA LEU A 41 240.265 246.607 260.706 1.00 0.00 C +ATOM 42 CA THR A 42 240.052 247.808 257.096 1.00 0.00 C +ATOM 43 CA SER A 43 238.134 245.155 255.146 1.00 0.00 C +ATOM 44 CA LEU A 44 235.831 244.027 252.328 1.00 0.00 C +ATOM 45 CA LYS A 45 237.161 240.811 250.778 1.00 0.00 C +ATOM 46 CA SER A 46 240.077 241.963 248.612 1.00 0.00 C +ATOM 47 CA LEU A 47 241.892 243.071 245.451 1.00 0.00 C +ATOM 48 CA PHE A 48 245.559 243.840 244.761 1.00 0.00 C +ATOM 49 CA GLY A 49 247.002 242.305 241.587 1.00 0.00 C +ATOM 50 CA SER A 50 246.441 238.541 241.399 1.00 0.00 C +ATOM 51 CA ASP A 51 244.809 235.619 239.579 1.00 0.00 C +ATOM 52 CA PRO A 52 246.679 234.574 236.428 1.00 0.00 C +ATOM 53 CA LEU A 53 246.725 234.198 232.637 1.00 0.00 C +ATOM 54 CA SER A 54 246.701 236.343 229.489 1.00 0.00 C +ATOM 55 CA GLN A 55 247.390 239.463 227.412 1.00 0.00 C +TER 56 GLN A 55 +END diff --git a/Viruses/Q3T5T2/Q3T5T2.dcd b/Viruses/Q3T5T2/Q3T5T2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..1229d1e46f7160d6909ec9903c8eee2f91a74983 --- /dev/null +++ b/Viruses/Q3T5T2/Q3T5T2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f64921630474570522d425bceafe8ef21fea3efab1257ae54a0055ee7fcae862 +size 8000276 diff --git a/Viruses/Q3T5T2/top.pdb b/Viruses/Q3T5T2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c1b5494983bd64935dae7e9391f3b854e44e694b --- /dev/null +++ b/Viruses/Q3T5T2/top.pdb @@ -0,0 +1,64 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LEU A 1 229.127 246.650 242.725 1.00 0.00 C +ATOM 2 CA GLN A 2 230.286 249.965 241.248 1.00 0.00 C +ATOM 3 CA ASN A 3 227.673 252.434 239.986 1.00 0.00 C +ATOM 4 CA ARG A 4 228.044 256.168 240.650 1.00 0.00 C +ATOM 5 CA PRO A 5 226.660 258.964 238.464 1.00 0.00 C +ATOM 6 CA GLU A 6 222.986 259.911 238.115 1.00 0.00 C +ATOM 7 CA PRO A 7 221.057 261.679 240.884 1.00 0.00 C +ATOM 8 CA THR A 8 220.343 262.058 244.607 1.00 0.00 C +ATOM 9 CA ALA A 9 222.881 263.748 246.892 1.00 0.00 C +ATOM 10 CA PRO A 10 226.501 264.543 246.011 1.00 0.00 C +ATOM 11 CA PRO A 11 229.170 266.095 248.244 1.00 0.00 C +ATOM 12 CA ALA A 12 231.841 264.263 250.251 1.00 0.00 C +ATOM 13 CA GLU A 13 234.683 263.030 252.468 1.00 0.00 C +ATOM 14 CA SER A 14 235.366 265.576 255.219 1.00 0.00 C +ATOM 15 CA PHE A 15 235.185 269.053 256.765 1.00 0.00 C +ATOM 16 CA ARG A 16 234.663 271.907 254.294 1.00 0.00 C +ATOM 17 CA VAL A 17 237.046 274.728 255.232 1.00 0.00 C +ATOM 18 CA ARG A 18 239.139 276.356 252.496 1.00 0.00 C +ATOM 19 CA PRO A 19 237.164 276.051 249.253 1.00 0.00 C +ATOM 20 CA GLU A 20 235.476 273.593 246.881 1.00 0.00 C +ATOM 21 CA PRO A 21 236.447 272.546 243.349 1.00 0.00 C +ATOM 22 CA THR A 22 240.102 271.471 243.392 1.00 0.00 C +ATOM 23 CA ALA A 23 241.360 268.491 245.404 1.00 0.00 C +ATOM 24 CA PRO A 24 242.490 265.899 242.851 1.00 0.00 C +ATOM 25 CA PRO A 25 243.430 262.379 243.967 1.00 0.00 C +ATOM 26 CA ALA A 26 242.472 260.778 247.289 1.00 0.00 C +ATOM 27 CA GLU A 27 245.337 260.779 249.800 1.00 0.00 C +ATOM 28 CA SER A 28 247.718 259.891 252.638 1.00 0.00 C +ATOM 29 CA PHE A 29 249.974 259.094 255.603 1.00 0.00 C +ATOM 30 CA ARG A 30 252.026 259.967 258.693 1.00 0.00 C +ATOM 31 CA PHE A 31 254.786 259.572 261.289 1.00 0.00 C +ATOM 32 CA GLU A 32 258.581 259.901 261.223 1.00 0.00 C +ATOM 33 CA GLU A 33 260.742 262.382 263.145 1.00 0.00 C +ATOM 34 CA THR A 34 264.240 262.975 261.758 1.00 0.00 C +ATOM 35 CA THR A 35 266.162 262.146 258.574 1.00 0.00 C +ATOM 36 CA PRO A 36 263.815 261.962 255.578 1.00 0.00 C +ATOM 37 CA ALA A 37 263.146 258.941 253.355 1.00 0.00 C +ATOM 38 CA PRO A 38 262.238 255.247 253.564 1.00 0.00 C +ATOM 39 CA LYS A 39 262.665 253.857 250.042 1.00 0.00 C +ATOM 40 CA GLN A 40 263.942 250.308 250.576 1.00 0.00 C +ATOM 41 CA GLU A 41 264.367 246.648 251.547 1.00 0.00 C +ATOM 42 CA LEU A 42 262.143 243.583 251.125 1.00 0.00 C +ATOM 43 CA LYS A 43 259.584 241.762 248.968 1.00 0.00 C +ATOM 44 CA GLU A 44 259.508 238.213 250.353 1.00 0.00 C +ATOM 45 CA PRO A 45 260.990 235.459 248.177 1.00 0.00 C +ATOM 46 CA LEU A 46 259.843 232.513 246.050 1.00 0.00 C +ATOM 47 CA THR A 47 257.958 229.450 244.793 1.00 0.00 C +ATOM 48 CA SER A 48 257.763 226.331 246.973 1.00 0.00 C +ATOM 49 CA LEU A 49 258.059 223.440 249.437 1.00 0.00 C +ATOM 50 CA LYS A 50 260.202 220.363 250.112 1.00 0.00 C +ATOM 51 CA SER A 51 262.321 217.300 249.309 1.00 0.00 C +ATOM 52 CA LEU A 52 265.751 217.333 247.651 1.00 0.00 C +ATOM 53 CA PHE A 53 269.315 218.463 246.917 1.00 0.00 C +ATOM 54 CA GLY A 54 272.823 217.037 246.500 1.00 0.00 C +ATOM 55 CA SER A 55 274.333 214.009 248.252 1.00 0.00 C +ATOM 56 CA ASP A 56 277.368 213.146 250.388 1.00 0.00 C +ATOM 57 CA PRO A 57 279.813 214.575 252.937 1.00 0.00 C +ATOM 58 CA LEU A 58 278.247 215.712 256.219 1.00 0.00 C +ATOM 59 CA SER A 59 276.014 215.838 259.303 1.00 0.00 C +ATOM 60 CA GLN A 60 276.632 213.464 262.219 1.00 0.00 C +TER 61 GLN A 60 +END diff --git a/Viruses/Q3T5T4/Q3T5T4.dcd b/Viruses/Q3T5T4/Q3T5T4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..1bd0443f31dde208fc85616bb1f13f7f333ebf77 --- /dev/null +++ b/Viruses/Q3T5T4/Q3T5T4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:67706b319438c682465f6d5535031bbef54405a62b44b1a65edd0f520bfa1d3e +size 7400276 diff --git a/Viruses/Q3T5T4/top.pdb b/Viruses/Q3T5T4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5c93263bb86a2b487f3fdb4e9e867d6916dcbbc3 --- /dev/null +++ b/Viruses/Q3T5T4/top.pdb @@ -0,0 +1,59 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LEU A 1 203.367 263.520 250.928 1.00 0.00 C +ATOM 2 CA GLN A 2 204.585 264.180 254.477 1.00 0.00 C +ATOM 3 CA ASN A 3 208.360 264.409 254.935 1.00 0.00 C +ATOM 4 CA ARG A 4 211.409 264.171 257.208 1.00 0.00 C +ATOM 5 CA PRO A 5 215.180 263.745 257.547 1.00 0.00 C +ATOM 6 CA GLU A 6 218.393 262.369 259.063 1.00 0.00 C +ATOM 7 CA PRO A 7 221.177 263.069 256.559 1.00 0.00 C +ATOM 8 CA THR A 8 222.720 263.006 253.076 1.00 0.00 C +ATOM 9 CA ALA A 9 223.668 262.301 249.453 1.00 0.00 C +ATOM 10 CA PRO A 10 223.536 258.603 248.548 1.00 0.00 C +ATOM 11 CA PRO A 11 225.810 258.109 245.531 1.00 0.00 C +ATOM 12 CA VAL A 12 227.773 259.843 242.765 1.00 0.00 C +ATOM 13 CA GLU A 13 227.823 262.988 240.615 1.00 0.00 C +ATOM 14 CA PRO A 14 229.812 265.463 238.509 1.00 0.00 C +ATOM 15 CA THR A 15 233.359 265.206 237.142 1.00 0.00 C +ATOM 16 CA ALA A 16 236.023 264.198 239.673 1.00 0.00 C +ATOM 17 CA PRO A 17 239.674 264.874 238.818 1.00 0.00 C +ATOM 18 CA PRO A 18 243.468 265.218 238.744 1.00 0.00 C +ATOM 19 CA ALA A 19 245.780 268.137 237.942 1.00 0.00 C +ATOM 20 CA GLU A 20 248.978 267.503 235.970 1.00 0.00 C +ATOM 21 CA SER A 21 251.468 264.625 236.148 1.00 0.00 C +ATOM 22 CA PHE A 22 251.470 261.723 238.616 1.00 0.00 C +ATOM 23 CA ARG A 23 254.963 260.242 238.971 1.00 0.00 C +ATOM 24 CA PHE A 24 256.858 256.938 238.887 1.00 0.00 C +ATOM 25 CA GLU A 25 259.453 257.274 236.119 1.00 0.00 C +ATOM 26 CA GLY A 26 262.207 257.099 233.491 1.00 0.00 C +ATOM 27 CA THR A 27 265.632 256.488 235.044 1.00 0.00 C +ATOM 28 CA THR A 28 268.114 253.854 233.852 1.00 0.00 C +ATOM 29 CA PRO A 29 270.746 253.493 236.584 1.00 0.00 C +ATOM 30 CA ALA A 30 271.467 250.200 238.360 1.00 0.00 C +ATOM 31 CA PRO A 31 272.565 247.695 241.012 1.00 0.00 C +ATOM 32 CA LYS A 32 270.834 244.536 242.253 1.00 0.00 C +ATOM 33 CA GLN A 33 272.736 242.473 244.831 1.00 0.00 C +ATOM 34 CA GLU A 34 275.458 243.316 247.361 1.00 0.00 C +ATOM 35 CA SER A 35 274.483 243.353 251.044 1.00 0.00 C +ATOM 36 CA LYS A 36 273.190 242.696 254.567 1.00 0.00 C +ATOM 37 CA ASP A 37 269.682 243.847 255.508 1.00 0.00 C +ATOM 38 CA ARG A 38 266.900 244.056 258.103 1.00 0.00 C +ATOM 39 CA GLU A 39 263.526 243.771 256.356 1.00 0.00 C +ATOM 40 CA ALA A 40 259.807 243.195 256.947 1.00 0.00 C +ATOM 41 CA LEU A 41 257.372 240.278 257.232 1.00 0.00 C +ATOM 42 CA THR A 42 253.784 239.042 256.896 1.00 0.00 C +ATOM 43 CA SER A 43 250.672 237.832 258.731 1.00 0.00 C +ATOM 44 CA LEU A 44 249.482 234.237 259.150 1.00 0.00 C +ATOM 45 CA LYS A 45 250.655 230.643 259.625 1.00 0.00 C +ATOM 46 CA SER A 46 252.316 230.038 263.000 1.00 0.00 C +ATOM 47 CA LEU A 47 255.742 228.393 262.738 1.00 0.00 C +ATOM 48 CA PHE A 48 259.539 228.086 262.816 1.00 0.00 C +ATOM 49 CA GLY A 49 262.628 229.286 264.696 1.00 0.00 C +ATOM 50 CA ASN A 50 265.937 227.685 263.693 1.00 0.00 C +ATOM 51 CA ASP A 51 268.181 224.919 265.046 1.00 0.00 C +ATOM 52 CA PRO A 52 271.862 225.902 264.982 1.00 0.00 C +ATOM 53 CA LEU A 53 272.967 229.418 265.949 1.00 0.00 C +ATOM 54 CA SER A 54 276.597 230.553 266.173 1.00 0.00 C +ATOM 55 CA GLN A 55 279.808 231.903 267.715 1.00 0.00 C +TER 56 GLN A 55 +END diff --git a/Viruses/Q3T5T7/Q3T5T7.dcd b/Viruses/Q3T5T7/Q3T5T7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..caffe60447a540d44307833ae9f3828a68600407 --- /dev/null +++ b/Viruses/Q3T5T7/Q3T5T7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6da55cfd08f3e1eb066e0d71b02274b919f2a64e616200d14d8cbe799f0f25a7 +size 7400276 diff --git a/Viruses/Q3T5T7/top.pdb b/Viruses/Q3T5T7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3ec0f9b904150a5fbade425786b1341a2147fb1f --- /dev/null +++ b/Viruses/Q3T5T7/top.pdb @@ -0,0 +1,59 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ILE A 1 211.209 235.293 263.763 1.00 0.00 C +ATOM 2 CA GLN A 2 210.937 238.658 261.998 1.00 0.00 C +ATOM 3 CA ASN A 3 212.438 242.014 261.000 1.00 0.00 C +ATOM 4 CA ARG A 4 215.061 244.319 262.526 1.00 0.00 C +ATOM 5 CA LEU A 5 215.389 247.705 260.810 1.00 0.00 C +ATOM 6 CA GLU A 6 215.523 248.906 257.197 1.00 0.00 C +ATOM 7 CA PRO A 7 218.055 251.225 255.545 1.00 0.00 C +ATOM 8 CA THR A 8 220.738 249.039 253.953 1.00 0.00 C +ATOM 9 CA ALA A 9 223.710 246.729 254.545 1.00 0.00 C +ATOM 10 CA PRO A 10 225.768 243.538 254.238 1.00 0.00 C +ATOM 11 CA PRO A 11 226.189 241.732 257.566 1.00 0.00 C +ATOM 12 CA LEU A 12 227.928 241.720 260.956 1.00 0.00 C +ATOM 13 CA GLU A 13 229.445 244.011 263.595 1.00 0.00 C +ATOM 14 CA PRO A 14 233.236 244.278 263.872 1.00 0.00 C +ATOM 15 CA THR A 15 236.353 243.695 261.760 1.00 0.00 C +ATOM 16 CA ALA A 16 235.289 244.673 258.234 1.00 0.00 C +ATOM 17 CA PRO A 17 236.974 247.798 256.851 1.00 0.00 C +ATOM 18 CA PRO A 18 236.656 251.423 257.978 1.00 0.00 C +ATOM 19 CA ALA A 19 238.402 254.652 256.955 1.00 0.00 C +ATOM 20 CA GLU A 20 240.399 255.825 253.930 1.00 0.00 C +ATOM 21 CA SER A 21 240.157 257.233 250.398 1.00 0.00 C +ATOM 22 CA PHE A 22 243.504 257.971 248.734 1.00 0.00 C +ATOM 23 CA ARG A 23 247.119 258.400 249.856 1.00 0.00 C +ATOM 24 CA PHE A 24 248.859 261.603 248.747 1.00 0.00 C +ATOM 25 CA GLU A 25 250.721 261.807 245.430 1.00 0.00 C +ATOM 26 CA GLU A 26 251.463 259.005 242.957 1.00 0.00 C +ATOM 27 CA THR A 27 250.058 255.614 243.977 1.00 0.00 C +ATOM 28 CA THR A 28 251.023 251.933 243.790 1.00 0.00 C +ATOM 29 CA PRO A 29 249.834 248.999 245.910 1.00 0.00 C +ATOM 30 CA ALA A 30 251.068 245.792 247.556 1.00 0.00 C +ATOM 31 CA LEU A 31 253.745 246.514 250.169 1.00 0.00 C +ATOM 32 CA LYS A 32 256.990 244.626 250.819 1.00 0.00 C +ATOM 33 CA GLN A 33 259.967 243.419 248.770 1.00 0.00 C +ATOM 34 CA GLU A 34 262.178 240.949 246.892 1.00 0.00 C +ATOM 35 CA PRO A 35 260.011 237.845 246.464 1.00 0.00 C +ATOM 36 CA ARG A 36 256.289 238.024 245.668 1.00 0.00 C +ATOM 37 CA ASP A 37 254.171 239.908 243.123 1.00 0.00 C +ATOM 38 CA ARG A 38 254.208 242.821 240.667 1.00 0.00 C +ATOM 39 CA GLU A 39 257.025 245.223 241.567 1.00 0.00 C +ATOM 40 CA PRO A 40 260.650 246.282 242.074 1.00 0.00 C +ATOM 41 CA LEU A 41 263.683 247.306 240.009 1.00 0.00 C +ATOM 42 CA THR A 42 266.575 249.626 239.132 1.00 0.00 C +ATOM 43 CA SER A 43 269.935 251.295 238.464 1.00 0.00 C +ATOM 44 CA LEU A 44 271.886 254.566 238.367 1.00 0.00 C +ATOM 45 CA LYS A 45 275.557 254.127 239.288 1.00 0.00 C +ATOM 46 CA SER A 46 276.318 252.153 242.456 1.00 0.00 C +ATOM 47 CA LEU A 47 279.843 253.166 243.488 1.00 0.00 C +ATOM 48 CA PHE A 48 281.741 256.105 241.980 1.00 0.00 C +ATOM 49 CA GLY A 49 282.039 259.807 242.830 1.00 0.00 C +ATOM 50 CA SER A 50 284.157 262.934 242.327 1.00 0.00 C +ATOM 51 CA ASP A 51 287.770 263.460 243.415 1.00 0.00 C +ATOM 52 CA PRO A 52 287.606 264.479 247.083 1.00 0.00 C +ATOM 53 CA LEU A 53 287.716 262.095 250.052 1.00 0.00 C +ATOM 54 CA SER A 54 284.314 260.394 250.272 1.00 0.00 C +ATOM 55 CA GLN A 55 282.121 257.290 249.999 1.00 0.00 C +TER 56 GLN A 55 +END diff --git a/Viruses/Q3T5U3/Q3T5U3.dcd b/Viruses/Q3T5U3/Q3T5U3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..3bcdabf4ce48e6a5eb1d6b583947ecf766bd85a4 --- /dev/null +++ b/Viruses/Q3T5U3/Q3T5U3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:902644b2580b6f2928f10aafa7e034b52aaab959fd3f31edef32928f182d6ba2 +size 7040276 diff --git a/Viruses/Q3T5U3/top.pdb b/Viruses/Q3T5U3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8f573b3feb93e41cfb5494d5769dd26e6cddcc22 --- /dev/null +++ b/Viruses/Q3T5U3/top.pdb @@ -0,0 +1,56 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LEU A 1 279.204 223.554 270.874 1.00 0.00 C +ATOM 2 CA GLN A 2 278.319 227.252 270.633 1.00 0.00 C +ATOM 3 CA ASN A 3 279.338 230.426 272.478 1.00 0.00 C +ATOM 4 CA ARG A 4 280.024 233.199 269.957 1.00 0.00 C +ATOM 5 CA PRO A 5 280.051 236.821 268.777 1.00 0.00 C +ATOM 6 CA GLU A 6 276.646 237.445 267.185 1.00 0.00 C +ATOM 7 CA PRO A 7 274.742 234.181 266.700 1.00 0.00 C +ATOM 8 CA LEU A 8 273.411 230.866 265.375 1.00 0.00 C +ATOM 9 CA GLN A 9 271.487 228.710 262.892 1.00 0.00 C +ATOM 10 CA SER A 10 272.548 225.267 261.653 1.00 0.00 C +ATOM 11 CA ARG A 11 271.637 224.026 258.168 1.00 0.00 C +ATOM 12 CA LEU A 12 269.047 226.302 256.547 1.00 0.00 C +ATOM 13 CA GLU A 13 266.553 228.752 255.034 1.00 0.00 C +ATOM 14 CA PRO A 14 263.558 231.090 254.750 1.00 0.00 C +ATOM 15 CA THR A 15 261.384 231.319 257.870 1.00 0.00 C +ATOM 16 CA ALA A 16 257.856 231.956 259.161 1.00 0.00 C +ATOM 17 CA PRO A 17 258.065 234.819 261.666 1.00 0.00 C +ATOM 18 CA PRO A 18 258.016 238.055 259.655 1.00 0.00 C +ATOM 19 CA ALA A 19 257.191 239.450 256.207 1.00 0.00 C +ATOM 20 CA GLU A 20 256.416 241.660 253.202 1.00 0.00 C +ATOM 21 CA SER A 21 253.606 244.224 252.989 1.00 0.00 C +ATOM 22 CA PHE A 22 249.839 244.169 252.421 1.00 0.00 C +ATOM 23 CA GLY A 23 248.676 243.169 248.933 1.00 0.00 C +ATOM 24 CA PHE A 24 247.731 244.976 245.714 1.00 0.00 C +ATOM 25 CA GLU A 25 244.163 246.201 245.185 1.00 0.00 C +ATOM 26 CA ASP A 26 240.631 247.630 245.115 1.00 0.00 C +ATOM 27 CA ALA A 27 239.267 250.249 242.709 1.00 0.00 C +ATOM 28 CA PRO A 28 235.686 251.527 242.461 1.00 0.00 C +ATOM 29 CA LYS A 29 235.538 255.002 240.906 1.00 0.00 C +ATOM 30 CA GLN A 30 237.835 257.510 242.625 1.00 0.00 C +ATOM 31 CA GLU A 31 238.368 260.530 240.363 1.00 0.00 C +ATOM 32 CA THR A 32 241.991 260.452 239.186 1.00 0.00 C +ATOM 33 CA LYS A 33 242.228 263.131 236.488 1.00 0.00 C +ATOM 34 CA ASP A 34 238.837 264.361 235.260 1.00 0.00 C +ATOM 35 CA ARG A 35 236.343 266.697 236.946 1.00 0.00 C +ATOM 36 CA GLU A 36 238.093 269.842 238.196 1.00 0.00 C +ATOM 37 CA PRO A 37 241.696 269.141 239.217 1.00 0.00 C +ATOM 38 CA LEU A 38 243.029 272.043 241.295 1.00 0.00 C +ATOM 39 CA THR A 39 240.815 273.783 243.860 1.00 0.00 C +ATOM 40 CA SER A 40 239.491 273.696 247.431 1.00 0.00 C +ATOM 41 CA LEU A 41 236.747 273.016 249.986 1.00 0.00 C +ATOM 42 CA LYS A 42 233.847 271.656 247.922 1.00 0.00 C +ATOM 43 CA SER A 43 232.998 273.626 244.773 1.00 0.00 C +ATOM 44 CA LEU A 44 234.640 274.295 241.401 1.00 0.00 C +ATOM 45 CA PHE A 45 232.644 273.294 238.313 1.00 0.00 C +ATOM 46 CA GLY A 46 229.277 271.530 238.560 1.00 0.00 C +ATOM 47 CA SER A 47 229.379 268.401 240.731 1.00 0.00 C +ATOM 48 CA ASP A 48 228.387 264.786 241.413 1.00 0.00 C +ATOM 49 CA PRO A 49 227.629 261.093 240.861 1.00 0.00 C +ATOM 50 CA LEU A 50 228.739 258.442 238.359 1.00 0.00 C +ATOM 51 CA SER A 51 232.340 259.054 237.274 1.00 0.00 C +ATOM 52 CA GLN A 52 234.020 257.323 234.324 1.00 0.00 C +TER 53 GLN A 52 +END diff --git a/Viruses/Q3T5U9/Q3T5U9.dcd b/Viruses/Q3T5U9/Q3T5U9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..80b1508d4e08e6b5e01ba8db934a0fe999cf3dae --- /dev/null +++ b/Viruses/Q3T5U9/Q3T5U9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:afc7dd5c4e4017ed4f53430274ae86779526f32916189df12303682ce3233b57 +size 6800276 diff --git a/Viruses/Q3T5U9/top.pdb b/Viruses/Q3T5U9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..43fc15b7a5f64fcd78bdcfdfe5818b6c6943601d --- /dev/null +++ b/Viruses/Q3T5U9/top.pdb @@ -0,0 +1,54 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LEU A 1 232.337 262.581 240.304 1.00 0.00 C +ATOM 2 CA GLN A 2 228.652 263.083 241.134 1.00 0.00 C +ATOM 3 CA ASN A 3 226.325 260.289 239.997 1.00 0.00 C +ATOM 4 CA ARG A 4 226.256 256.482 239.854 1.00 0.00 C +ATOM 5 CA PRO A 5 226.562 254.719 236.490 1.00 0.00 C +ATOM 6 CA GLU A 6 228.087 256.950 233.805 1.00 0.00 C +ATOM 7 CA PRO A 7 231.755 257.937 233.500 1.00 0.00 C +ATOM 8 CA THR A 8 233.051 261.375 232.493 1.00 0.00 C +ATOM 9 CA ALA A 9 236.128 261.617 230.259 1.00 0.00 C +ATOM 10 CA PRO A 10 239.185 259.934 228.729 1.00 0.00 C +ATOM 11 CA PRO A 11 242.250 261.588 230.273 1.00 0.00 C +ATOM 12 CA ALA A 12 244.687 263.039 227.729 1.00 0.00 C +ATOM 13 CA PRO A 13 247.366 265.287 229.242 1.00 0.00 C +ATOM 14 CA ALA A 14 248.363 266.582 232.684 1.00 0.00 C +ATOM 15 CA GLU A 15 251.438 266.525 234.933 1.00 0.00 C +ATOM 16 CA SER A 16 253.556 263.365 234.714 1.00 0.00 C +ATOM 17 CA PHE A 17 252.983 259.601 234.843 1.00 0.00 C +ATOM 18 CA ARG A 18 249.956 258.774 232.682 1.00 0.00 C +ATOM 19 CA PHE A 19 249.002 255.087 232.569 1.00 0.00 C +ATOM 20 CA GLU A 20 249.704 252.509 229.853 1.00 0.00 C +ATOM 21 CA GLU A 21 249.576 249.058 231.461 1.00 0.00 C +ATOM 22 CA THR A 22 252.853 248.453 233.309 1.00 0.00 C +ATOM 23 CA THR A 23 256.026 250.228 234.448 1.00 0.00 C +ATOM 24 CA PRO A 24 257.990 249.794 237.684 1.00 0.00 C +ATOM 25 CA ALA A 25 261.089 247.580 237.810 1.00 0.00 C +ATOM 26 CA PRO A 26 262.351 246.803 241.319 1.00 0.00 C +ATOM 27 CA LYS A 27 261.520 248.139 244.789 1.00 0.00 C +ATOM 28 CA GLN A 28 262.207 251.051 247.148 1.00 0.00 C +ATOM 29 CA GLU A 29 261.083 253.442 249.893 1.00 0.00 C +ATOM 30 CA SER A 30 263.016 253.406 253.175 1.00 0.00 C +ATOM 31 CA LYS A 31 261.002 253.949 256.363 1.00 0.00 C +ATOM 32 CA ASP A 32 258.869 252.961 259.362 1.00 0.00 C +ATOM 33 CA ARG A 33 261.081 251.231 261.937 1.00 0.00 C +ATOM 34 CA GLU A 34 259.207 249.407 264.708 1.00 0.00 C +ATOM 35 CA PRO A 35 255.719 248.046 265.411 1.00 0.00 C +ATOM 36 CA LEU A 36 255.003 244.314 265.141 1.00 0.00 C +ATOM 37 CA ILE A 37 256.821 243.176 261.992 1.00 0.00 C +ATOM 38 CA SER A 38 260.507 242.761 262.864 1.00 0.00 C +ATOM 39 CA LEU A 39 262.497 241.834 265.978 1.00 0.00 C +ATOM 40 CA LYS A 40 261.742 239.976 269.218 1.00 0.00 C +ATOM 41 CA SER A 41 258.385 239.911 271.020 1.00 0.00 C +ATOM 42 CA LEU A 42 258.172 236.731 273.106 1.00 0.00 C +ATOM 43 CA PHE A 43 259.912 235.042 276.044 1.00 0.00 C +ATOM 44 CA GLY A 44 257.437 234.576 278.903 1.00 0.00 C +ATOM 45 CA SER A 45 255.010 231.713 279.560 1.00 0.00 C +ATOM 46 CA ASP A 46 252.726 228.878 278.438 1.00 0.00 C +ATOM 47 CA PRO A 47 249.037 227.972 278.735 1.00 0.00 C +ATOM 48 CA LEU A 48 246.788 230.666 280.218 1.00 0.00 C +ATOM 49 CA SER A 49 243.027 230.063 280.306 1.00 0.00 C +ATOM 50 CA GLN A 50 241.706 231.515 283.571 1.00 0.00 C +TER 51 GLN A 50 +END diff --git a/Viruses/Q3T5V2/Q3T5V2.dcd b/Viruses/Q3T5V2/Q3T5V2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e17b22eaa2f9b578e4b26981800efc20be9a50dc --- /dev/null +++ b/Viruses/Q3T5V2/Q3T5V2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:55d1ca92c35e717006d229b09888dfe3f1039f5c2c7513b4854ea4c07fa53922 +size 6560276 diff --git a/Viruses/Q3T5V2/top.pdb b/Viruses/Q3T5V2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..29b8a8f1012e258c41eb63b8c4b178c5d2e177f1 --- /dev/null +++ b/Viruses/Q3T5V2/top.pdb @@ -0,0 +1,52 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LEU A 1 267.084 256.012 262.799 1.00 0.00 C +ATOM 2 CA GLN A 2 269.497 254.658 260.179 1.00 0.00 C +ATOM 3 CA SER A 3 271.759 252.762 257.770 1.00 0.00 C +ATOM 4 CA ARG A 4 273.106 254.496 254.657 1.00 0.00 C +ATOM 5 CA PRO A 5 270.874 257.252 253.265 1.00 0.00 C +ATOM 6 CA GLU A 6 270.803 258.043 249.539 1.00 0.00 C +ATOM 7 CA PRO A 7 269.718 258.517 245.917 1.00 0.00 C +ATOM 8 CA THR A 8 266.766 258.920 243.543 1.00 0.00 C +ATOM 9 CA ALA A 9 263.308 258.235 242.098 1.00 0.00 C +ATOM 10 CA PRO A 10 261.269 261.423 242.538 1.00 0.00 C +ATOM 11 CA PRO A 11 257.914 262.588 243.918 1.00 0.00 C +ATOM 12 CA ALA A 12 255.714 265.061 242.032 1.00 0.00 C +ATOM 13 CA GLU A 13 254.307 268.599 242.172 1.00 0.00 C +ATOM 14 CA SER A 14 252.971 270.784 244.992 1.00 0.00 C +ATOM 15 CA PHE A 15 250.512 272.637 247.236 1.00 0.00 C +ATOM 16 CA ARG A 16 248.775 271.111 250.264 1.00 0.00 C +ATOM 17 CA PHE A 17 249.295 267.655 251.781 1.00 0.00 C +ATOM 18 CA GLU A 18 249.285 268.202 255.551 1.00 0.00 C +ATOM 19 CA GLU A 19 247.504 266.220 258.274 1.00 0.00 C +ATOM 20 CA THR A 20 245.186 264.463 260.735 1.00 0.00 C +ATOM 21 CA THR A 21 243.967 261.523 262.830 1.00 0.00 C +ATOM 22 CA PRO A 22 244.133 258.237 260.909 1.00 0.00 C +ATOM 23 CA PRO A 23 244.818 254.751 259.532 1.00 0.00 C +ATOM 24 CA PRO A 24 246.525 251.545 258.383 1.00 0.00 C +ATOM 25 CA LYS A 25 245.180 248.659 260.475 1.00 0.00 C +ATOM 26 CA GLN A 26 242.164 246.903 258.945 1.00 0.00 C +ATOM 27 CA GLU A 27 240.272 245.559 255.924 1.00 0.00 C +ATOM 28 CA PRO A 28 239.082 248.474 253.778 1.00 0.00 C +ATOM 29 CA LYS A 29 241.708 249.314 251.149 1.00 0.00 C +ATOM 30 CA ASP A 30 245.227 250.019 252.430 1.00 0.00 C +ATOM 31 CA ARG A 31 247.972 247.604 251.356 1.00 0.00 C +ATOM 32 CA GLU A 32 251.246 247.572 249.408 1.00 0.00 C +ATOM 33 CA ALA A 33 251.235 244.609 247.013 1.00 0.00 C +ATOM 34 CA LEU A 34 249.465 241.235 247.071 1.00 0.00 C +ATOM 35 CA THR A 35 247.021 240.435 244.260 1.00 0.00 C +ATOM 36 CA SER A 36 246.068 238.914 240.899 1.00 0.00 C +ATOM 37 CA LEU A 37 244.582 235.433 241.333 1.00 0.00 C +ATOM 38 CA LYS A 38 242.340 234.510 244.272 1.00 0.00 C +ATOM 39 CA SER A 39 244.510 233.112 247.074 1.00 0.00 C +ATOM 40 CA LEU A 40 245.627 229.605 246.091 1.00 0.00 C +ATOM 41 CA PHE A 41 245.767 227.958 242.659 1.00 0.00 C +ATOM 42 CA GLY A 42 242.657 227.896 240.458 1.00 0.00 C +ATOM 43 CA SER A 43 239.544 230.091 240.521 1.00 0.00 C +ATOM 44 CA ASP A 44 236.737 232.666 240.607 1.00 0.00 C +ATOM 45 CA PRO A 45 235.342 233.482 244.057 1.00 0.00 C +ATOM 46 CA LEU A 46 233.830 231.160 246.671 1.00 0.00 C +ATOM 47 CA SER A 47 235.105 230.175 250.124 1.00 0.00 C +ATOM 48 CA GLN A 48 232.231 230.921 252.511 1.00 0.00 C +TER 49 GLN A 48 +END diff --git a/Viruses/Q3T5V7/Q3T5V7.dcd b/Viruses/Q3T5V7/Q3T5V7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..891c38c5cc5b08a7cbd30469acfbf0813c80a462 --- /dev/null +++ b/Viruses/Q3T5V7/Q3T5V7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b001e8ef34dfa96ff1d5bd80e70208d53d641595cdfba5940cfd6220a0e6df70 +size 6560276 diff --git a/Viruses/Q3T5V7/top.pdb b/Viruses/Q3T5V7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1d93b87e12f8448bd3ec80bc9cdf46ee5962dce7 --- /dev/null +++ b/Viruses/Q3T5V7/top.pdb @@ -0,0 +1,52 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LEU A 1 237.025 218.979 239.320 1.00 0.00 C +ATOM 2 CA GLN A 2 238.419 220.577 242.486 1.00 0.00 C +ATOM 3 CA ASN A 3 236.693 223.910 243.137 1.00 0.00 C +ATOM 4 CA ARG A 4 238.393 227.158 242.098 1.00 0.00 C +ATOM 5 CA LEU A 5 239.115 230.249 239.992 1.00 0.00 C +ATOM 6 CA GLU A 6 241.962 231.290 237.683 1.00 0.00 C +ATOM 7 CA PRO A 7 241.805 231.133 233.879 1.00 0.00 C +ATOM 8 CA THR A 8 242.218 233.502 230.924 1.00 0.00 C +ATOM 9 CA ALA A 9 239.685 235.682 229.095 1.00 0.00 C +ATOM 10 CA PRO A 10 239.423 239.407 229.852 1.00 0.00 C +ATOM 11 CA PRO A 11 241.816 241.815 231.581 1.00 0.00 C +ATOM 12 CA ALA A 12 244.854 242.042 233.870 1.00 0.00 C +ATOM 13 CA GLU A 13 247.433 244.804 233.389 1.00 0.00 C +ATOM 14 CA SER A 14 248.487 247.751 235.562 1.00 0.00 C +ATOM 15 CA PHE A 15 246.876 251.194 235.315 1.00 0.00 C +ATOM 16 CA ARG A 16 245.423 252.017 238.740 1.00 0.00 C +ATOM 17 CA PHE A 17 241.660 251.435 238.633 1.00 0.00 C +ATOM 18 CA GLU A 18 238.347 252.819 239.908 1.00 0.00 C +ATOM 19 CA GLU A 19 238.505 256.054 241.914 1.00 0.00 C +ATOM 20 CA THR A 20 241.048 255.589 244.713 1.00 0.00 C +ATOM 21 CA THR A 21 242.656 257.373 247.671 1.00 0.00 C +ATOM 22 CA SER A 22 240.466 256.648 250.703 1.00 0.00 C +ATOM 23 CA ALA A 23 240.760 258.340 254.104 1.00 0.00 C +ATOM 24 CA PRO A 24 239.941 262.054 254.331 1.00 0.00 C +ATOM 25 CA LYS A 25 239.752 265.768 253.501 1.00 0.00 C +ATOM 26 CA GLN A 26 242.381 267.924 255.221 1.00 0.00 C +ATOM 27 CA GLU A 27 241.768 269.392 258.683 1.00 0.00 C +ATOM 28 CA PRO A 28 241.668 266.665 261.341 1.00 0.00 C +ATOM 29 CA THR A 29 242.062 265.227 264.847 1.00 0.00 C +ATOM 30 CA ASP A 30 243.937 261.951 265.359 1.00 0.00 C +ATOM 31 CA ARG A 31 247.645 262.461 266.073 1.00 0.00 C +ATOM 32 CA GLU A 32 250.452 263.038 263.563 1.00 0.00 C +ATOM 33 CA PRO A 33 254.247 262.902 263.254 1.00 0.00 C +ATOM 34 CA LEU A 34 256.262 260.087 264.846 1.00 0.00 C +ATOM 35 CA THR A 35 258.969 258.435 262.734 1.00 0.00 C +ATOM 36 CA SER A 36 257.629 258.103 259.183 1.00 0.00 C +ATOM 37 CA LEU A 37 258.429 257.761 255.474 1.00 0.00 C +ATOM 38 CA LYS A 38 261.490 259.888 254.688 1.00 0.00 C +ATOM 39 CA SER A 39 263.745 260.866 257.600 1.00 0.00 C +ATOM 40 CA LEU A 40 267.028 258.976 257.197 1.00 0.00 C +ATOM 41 CA PHE A 41 268.089 255.530 258.428 1.00 0.00 C +ATOM 42 CA GLY A 42 266.669 252.510 260.266 1.00 0.00 C +ATOM 43 CA SER A 43 267.294 249.271 258.360 1.00 0.00 C +ATOM 44 CA ASP A 44 270.268 247.027 259.156 1.00 0.00 C +ATOM 45 CA PRO A 45 272.740 246.180 261.928 1.00 0.00 C +ATOM 46 CA LEU A 46 275.018 244.418 264.424 1.00 0.00 C +ATOM 47 CA SER A 47 278.205 242.960 262.930 1.00 0.00 C +ATOM 48 CA GLN A 48 281.242 240.838 262.042 1.00 0.00 C +TER 49 GLN A 48 +END diff --git a/Viruses/Q3V5E4/Q3V5E4.dcd b/Viruses/Q3V5E4/Q3V5E4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..40cb6c086a409a428cf4f569afabcc8476f3f0c2 --- /dev/null +++ b/Viruses/Q3V5E4/Q3V5E4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e114e78feeec98f690c64034e8b34db3e7be3f493d11b915322bd2fc12e08b83 +size 5960276 diff --git a/Viruses/Q3V5E4/top.pdb b/Viruses/Q3V5E4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..113647b04edbde04ad98496a8e8e32b50cdb5ae7 --- /dev/null +++ b/Viruses/Q3V5E4/top.pdb @@ -0,0 +1,47 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 262.244 231.451 249.971 1.00 0.00 C +ATOM 2 CA THR A 2 260.484 234.706 250.877 1.00 0.00 C +ATOM 3 CA TYR A 3 258.460 237.283 252.821 1.00 0.00 C +ATOM 4 CA ASP A 4 254.686 237.085 253.303 1.00 0.00 C +ATOM 5 CA GLU A 5 253.036 237.175 249.870 1.00 0.00 C +ATOM 6 CA LEU A 6 249.355 238.146 249.738 1.00 0.00 C +ATOM 7 CA ARG A 7 248.170 238.741 253.310 1.00 0.00 C +ATOM 8 CA THR A 8 246.760 240.742 256.229 1.00 0.00 C +ATOM 9 CA VAL A 9 249.381 243.196 257.503 1.00 0.00 C +ATOM 10 CA ARG A 10 248.799 246.918 256.933 1.00 0.00 C +ATOM 11 CA ASP A 11 247.600 249.885 254.866 1.00 0.00 C +ATOM 12 CA TRP A 12 246.129 252.689 256.986 1.00 0.00 C +ATOM 13 CA PRO A 13 246.105 252.268 260.772 1.00 0.00 C +ATOM 14 CA VAL A 14 245.999 255.672 262.481 1.00 0.00 C +ATOM 15 CA ASP A 15 245.943 255.395 266.281 1.00 0.00 C +ATOM 16 CA GLU A 16 244.099 252.261 267.417 1.00 0.00 C +ATOM 17 CA VAL A 17 241.053 250.125 268.241 1.00 0.00 C +ATOM 18 CA PRO A 18 239.740 246.730 267.117 1.00 0.00 C +ATOM 19 CA GLU A 19 240.570 246.599 263.400 1.00 0.00 C +ATOM 20 CA ALA A 20 241.408 247.645 259.834 1.00 0.00 C +ATOM 21 CA THR A 21 240.486 248.990 256.390 1.00 0.00 C +ATOM 22 CA TYR A 22 239.495 250.494 253.033 1.00 0.00 C +ATOM 23 CA THR A 23 240.009 251.217 249.328 1.00 0.00 C +ATOM 24 CA LYS A 24 241.857 253.542 246.941 1.00 0.00 C +ATOM 25 CA ALA A 25 244.997 252.595 245.003 1.00 0.00 C +ATOM 26 CA GLY A 26 244.991 251.398 241.386 1.00 0.00 C +ATOM 27 CA GLU A 27 245.474 249.006 238.460 1.00 0.00 C +ATOM 28 CA PRO A 28 247.560 250.627 235.715 1.00 0.00 C +ATOM 29 CA HIS A 29 251.002 251.563 234.376 1.00 0.00 C +ATOM 30 CA THR A 30 253.556 250.117 236.805 1.00 0.00 C +ATOM 31 CA GLY A 31 255.522 251.870 239.558 1.00 0.00 C +ATOM 32 CA ASP A 32 256.763 253.417 242.810 1.00 0.00 C +ATOM 33 CA ASP A 33 254.139 254.868 245.161 1.00 0.00 C +ATOM 34 CA ASP A 34 250.394 255.514 244.891 1.00 0.00 C +ATOM 35 CA GLY A 35 249.365 255.938 241.248 1.00 0.00 C +ATOM 36 CA THR A 36 250.473 256.598 237.663 1.00 0.00 C +ATOM 37 CA ALA A 37 252.928 259.320 236.620 1.00 0.00 C +ATOM 38 CA PRO A 38 255.613 261.407 238.338 1.00 0.00 C +ATOM 39 CA GLU A 39 258.382 262.465 240.731 1.00 0.00 C +ATOM 40 CA THR A 40 258.148 261.538 244.419 1.00 0.00 C +ATOM 41 CA VAL A 41 260.110 258.454 245.494 1.00 0.00 C +ATOM 42 CA GLY A 42 262.749 257.972 248.200 1.00 0.00 C +ATOM 43 CA VAL A 43 265.962 256.376 249.481 1.00 0.00 C +TER 44 VAL A 43 +END diff --git a/Viruses/Q3YB07/Q3YB07.dcd b/Viruses/Q3YB07/Q3YB07.dcd new file mode 100644 index 0000000000000000000000000000000000000000..470bc219491a4c7bf5722507eb12395921be0ca3 --- /dev/null +++ b/Viruses/Q3YB07/Q3YB07.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f19c1693a678ba7183be8d7d71f867cc9c93ea91c9779a488602b9a8a22a315d +size 5000276 diff --git a/Viruses/Q3YB07/top.pdb b/Viruses/Q3YB07/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..779b9c6ec5e7649c53afe00621e710fb0cd3a8ef --- /dev/null +++ b/Viruses/Q3YB07/top.pdb @@ -0,0 +1,39 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LEU A 1 259.264 263.659 262.531 1.00 0.00 C +ATOM 2 CA LYS A 2 262.985 264.360 262.107 1.00 0.00 C +ATOM 3 CA ARG A 3 266.367 263.757 260.460 1.00 0.00 C +ATOM 4 CA SER A 4 267.020 261.079 257.830 1.00 0.00 C +ATOM 5 CA HIS A 5 264.573 258.778 256.032 1.00 0.00 C +ATOM 6 CA ILE A 6 260.802 258.531 255.552 1.00 0.00 C +ATOM 7 CA ARG A 7 258.423 255.627 254.904 1.00 0.00 C +ATOM 8 CA ARG A 8 255.455 253.463 255.916 1.00 0.00 C +ATOM 9 CA TYR A 9 252.504 253.886 253.543 1.00 0.00 C +ATOM 10 CA VAL A 10 252.838 253.658 249.755 1.00 0.00 C +ATOM 11 CA SER A 11 251.609 255.547 246.683 1.00 0.00 C +ATOM 12 CA VAL A 12 251.472 253.622 243.398 1.00 0.00 C +ATOM 13 CA SER A 13 252.881 253.661 239.859 1.00 0.00 C +ATOM 14 CA SER A 14 251.574 251.333 237.141 1.00 0.00 C +ATOM 15 CA ASN A 15 252.666 247.808 238.092 1.00 0.00 C +ATOM 16 CA HIS A 16 252.132 244.096 238.764 1.00 0.00 C +ATOM 17 CA GLN A 17 252.696 240.616 237.321 1.00 0.00 C +ATOM 18 CA ALA A 18 249.606 238.453 237.863 1.00 0.00 C +ATOM 19 CA ARG A 19 248.341 236.032 240.519 1.00 0.00 C +ATOM 20 CA PRO A 20 249.013 237.639 243.907 1.00 0.00 C +ATOM 21 CA GLY A 21 249.814 241.340 244.324 1.00 0.00 C +ATOM 22 CA SER A 22 249.137 245.080 244.598 1.00 0.00 C +ATOM 23 CA PHE A 23 248.281 248.197 246.614 1.00 0.00 C +ATOM 24 CA PRO A 24 245.455 250.740 246.869 1.00 0.00 C +ATOM 25 CA GLU A 25 242.910 249.930 244.151 1.00 0.00 C +ATOM 26 CA PHE A 26 241.691 246.671 242.600 1.00 0.00 C +ATOM 27 CA LEU A 27 239.268 244.176 244.155 1.00 0.00 C +ATOM 28 CA ASN A 28 238.039 242.920 247.536 1.00 0.00 C +ATOM 29 CA LYS A 29 239.154 244.730 250.697 1.00 0.00 C +ATOM 30 CA THR A 30 242.287 245.611 252.678 1.00 0.00 C +ATOM 31 CA TYR A 31 242.732 246.717 256.297 1.00 0.00 C +ATOM 32 CA SER A 32 241.478 247.194 259.863 1.00 0.00 C +ATOM 33 CA SER A 33 241.399 249.326 263.019 1.00 0.00 C +ATOM 34 CA ASP A 34 239.212 250.942 265.688 1.00 0.00 C +ATOM 35 CA SER A 35 236.923 250.821 268.732 1.00 0.00 C +TER 36 SER A 35 +END diff --git a/Viruses/Q3YJX6/Q3YJX6.dcd b/Viruses/Q3YJX6/Q3YJX6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b80bf04cdb328c4af053426a139535d38e69ec95 --- /dev/null +++ b/Viruses/Q3YJX6/Q3YJX6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:310e90d04d6b877f59376c8b593cfd2479ec34f18398ef1d69d1219c06d03b9b +size 9680276 diff --git a/Viruses/Q3YJX6/top.pdb b/Viruses/Q3YJX6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8de490d8d4197d3d9274697acaa96b504acf3914 --- /dev/null +++ b/Viruses/Q3YJX6/top.pdb @@ -0,0 +1,78 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 203.296 254.835 243.286 1.00 0.00 C +ATOM 2 CA CYS A 2 203.906 251.165 244.111 1.00 0.00 C +ATOM 3 CA PHE A 3 206.376 248.625 242.711 1.00 0.00 C +ATOM 4 CA SER A 4 207.662 246.872 239.582 1.00 0.00 C +ATOM 5 CA PRO A 5 207.864 244.591 236.537 1.00 0.00 C +ATOM 6 CA LYS A 6 210.610 242.870 234.533 1.00 0.00 C +ATOM 7 CA ILE A 7 209.319 239.372 233.749 1.00 0.00 C +ATOM 8 CA SER A 8 209.132 238.131 230.152 1.00 0.00 C +ATOM 9 CA THR A 9 211.092 235.930 227.738 1.00 0.00 C +ATOM 10 CA PRO A 10 210.334 232.287 228.557 1.00 0.00 C +ATOM 11 CA LYS A 11 207.072 231.439 226.781 1.00 0.00 C +ATOM 12 CA PRO A 12 204.068 229.830 228.485 1.00 0.00 C +ATOM 13 CA SER A 13 202.607 230.174 231.987 1.00 0.00 C +ATOM 14 CA VAL A 14 202.881 232.527 234.972 1.00 0.00 C +ATOM 15 CA GLN A 15 204.491 231.705 238.325 1.00 0.00 C +ATOM 16 CA ALA A 16 208.182 231.172 239.106 1.00 0.00 C +ATOM 17 CA PRO A 17 211.771 231.895 240.163 1.00 0.00 C +ATOM 18 CA GLU A 18 213.390 233.944 237.389 1.00 0.00 C +ATOM 19 CA PRO A 19 216.657 233.590 235.461 1.00 0.00 C +ATOM 20 CA ALA A 20 220.307 233.110 236.444 1.00 0.00 C +ATOM 21 CA PRO A 21 221.764 232.677 239.938 1.00 0.00 C +ATOM 22 CA LEU A 22 223.260 233.579 243.324 1.00 0.00 C +ATOM 23 CA SER A 23 221.832 231.078 245.818 1.00 0.00 C +ATOM 24 CA GLU A 24 222.420 231.171 249.582 1.00 0.00 C +ATOM 25 CA GLU A 25 221.839 230.661 253.313 1.00 0.00 C +ATOM 26 CA VAL A 26 223.312 229.853 256.732 1.00 0.00 C +ATOM 27 CA ALA A 27 225.368 229.731 259.938 1.00 0.00 C +ATOM 28 CA SER A 28 228.128 232.334 259.594 1.00 0.00 C +ATOM 29 CA VAL A 29 226.741 235.810 258.883 1.00 0.00 C +ATOM 30 CA ASP A 30 229.518 238.381 258.444 1.00 0.00 C +ATOM 31 CA ILE A 31 233.097 237.127 258.817 1.00 0.00 C +ATOM 32 CA GLY A 32 234.212 233.519 258.312 1.00 0.00 C +ATOM 33 CA ALA A 33 237.526 233.537 256.433 1.00 0.00 C +ATOM 34 CA GLU A 34 238.183 237.042 255.090 1.00 0.00 C +ATOM 35 CA SER A 35 238.850 239.870 257.554 1.00 0.00 C +ATOM 36 CA ASP A 36 239.942 243.519 257.644 1.00 0.00 C +ATOM 37 CA VAL A 37 242.728 246.105 257.899 1.00 0.00 C +ATOM 38 CA ASP A 38 246.290 247.307 258.522 1.00 0.00 C +ATOM 39 CA THR A 39 249.432 246.799 260.616 1.00 0.00 C +ATOM 40 CA ASN A 40 251.359 245.387 263.583 1.00 0.00 C +ATOM 41 CA GLU A 41 254.695 247.180 264.006 1.00 0.00 C +ATOM 42 CA THR A 42 257.382 245.167 265.807 1.00 0.00 C +ATOM 43 CA LYS A 43 259.347 242.628 263.754 1.00 0.00 C +ATOM 44 CA GLY A 44 263.145 242.360 263.883 1.00 0.00 C +ATOM 45 CA ILE A 45 264.333 242.210 260.265 1.00 0.00 C +ATOM 46 CA LYS A 46 267.816 243.047 258.970 1.00 0.00 C +ATOM 47 CA ASP A 47 271.300 244.552 258.630 1.00 0.00 C +ATOM 48 CA LEU A 48 272.431 246.100 255.337 1.00 0.00 C +ATOM 49 CA LYS A 49 271.520 249.469 253.809 1.00 0.00 C +ATOM 50 CA VAL A 50 274.063 252.284 253.460 1.00 0.00 C +ATOM 51 CA LYS A 51 277.695 251.239 253.943 1.00 0.00 C +ATOM 52 CA LYS A 52 281.288 250.550 255.007 1.00 0.00 C +ATOM 53 CA GLU A 53 283.390 253.708 254.658 1.00 0.00 C +ATOM 54 CA SER A 54 284.153 257.343 255.507 1.00 0.00 C +ATOM 55 CA ALA A 55 285.319 260.056 253.100 1.00 0.00 C +ATOM 56 CA PRO A 56 285.836 263.760 253.830 1.00 0.00 C +ATOM 57 CA LYS A 57 287.239 266.962 255.346 1.00 0.00 C +ATOM 58 CA ASP A 58 289.858 269.155 257.032 1.00 0.00 C +ATOM 59 CA LYS A 59 288.948 272.855 257.005 1.00 0.00 C +ATOM 60 CA SER A 60 287.846 276.344 255.942 1.00 0.00 C +ATOM 61 CA SER A 61 288.346 279.833 254.495 1.00 0.00 C +ATOM 62 CA VAL A 62 291.261 279.518 252.061 1.00 0.00 C +ATOM 63 CA SER A 63 294.607 281.214 251.397 1.00 0.00 C +ATOM 64 CA ARG A 64 297.083 281.843 248.570 1.00 0.00 C +ATOM 65 CA ALA A 65 299.207 284.873 247.663 1.00 0.00 C +ATOM 66 CA MET A 66 297.926 287.913 249.568 1.00 0.00 C +ATOM 67 CA ARG A 67 299.310 289.767 252.595 1.00 0.00 C +ATOM 68 CA ALA A 68 301.155 287.152 254.662 1.00 0.00 C +ATOM 69 CA SER A 69 301.575 283.376 254.376 1.00 0.00 C +ATOM 70 CA GLY A 70 301.060 279.616 254.038 1.00 0.00 C +ATOM 71 CA VAL A 71 298.092 278.078 255.865 1.00 0.00 C +ATOM 72 CA ASN A 72 297.315 274.477 254.889 1.00 0.00 C +ATOM 73 CA MET A 73 297.831 273.069 251.386 1.00 0.00 C +ATOM 74 CA GLY A 74 300.811 272.750 249.034 1.00 0.00 C +TER 75 GLY A 74 +END diff --git a/Viruses/Q3YJY1/Q3YJY1.dcd b/Viruses/Q3YJY1/Q3YJY1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..50d0142a32a1ed535d5f0fc22771aa869623066c --- /dev/null +++ b/Viruses/Q3YJY1/Q3YJY1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fa7362b6ef61dde4a5af44b952ad5aff3bb0fa76ad22af2b9d87c0ed6792a245 +size 6800276 diff --git a/Viruses/Q3YJY1/top.pdb b/Viruses/Q3YJY1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..275f28ac82ef26c43f80ee398dc25764ef8677bb --- /dev/null +++ b/Viruses/Q3YJY1/top.pdb @@ -0,0 +1,54 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 218.789 285.204 262.573 1.00 0.00 C +ATOM 2 CA CYS A 2 215.079 284.501 262.063 1.00 0.00 C +ATOM 3 CA ARG A 3 213.011 285.274 258.958 1.00 0.00 C +ATOM 4 CA SER A 4 215.423 285.394 256.012 1.00 0.00 C +ATOM 5 CA GLN A 5 218.153 282.874 256.856 1.00 0.00 C +ATOM 6 CA PRO A 6 218.549 280.063 254.314 1.00 0.00 C +ATOM 7 CA PRO A 7 218.787 276.439 255.466 1.00 0.00 C +ATOM 8 CA VAL A 8 221.525 274.246 256.952 1.00 0.00 C +ATOM 9 CA GLY A 9 224.328 271.702 256.520 1.00 0.00 C +ATOM 10 CA GLY A 10 227.273 270.006 254.797 1.00 0.00 C +ATOM 11 CA LEU A 11 230.677 271.427 253.843 1.00 0.00 C +ATOM 12 CA GLU A 12 233.963 271.490 251.917 1.00 0.00 C +ATOM 13 CA SER A 13 237.152 269.451 252.355 1.00 0.00 C +ATOM 14 CA GLY A 14 237.847 266.807 249.701 1.00 0.00 C +ATOM 15 CA ARG A 15 238.390 268.707 246.444 1.00 0.00 C +ATOM 16 CA ARG A 16 237.688 267.131 243.047 1.00 0.00 C +ATOM 17 CA ARG A 17 235.010 265.594 240.815 1.00 0.00 C +ATOM 18 CA ASP A 18 233.726 262.013 240.603 1.00 0.00 C +ATOM 19 CA TYR A 19 235.572 258.741 239.971 1.00 0.00 C +ATOM 20 CA PRO A 20 238.381 257.695 242.323 1.00 0.00 C +ATOM 21 CA LYS A 21 241.836 256.091 242.220 1.00 0.00 C +ATOM 22 CA GLY A 22 244.837 254.293 240.712 1.00 0.00 C +ATOM 23 CA VAL A 23 246.436 253.741 237.298 1.00 0.00 C +ATOM 24 CA GLY A 24 250.063 252.576 237.363 1.00 0.00 C +ATOM 25 CA PRO A 25 251.840 249.906 239.419 1.00 0.00 C +ATOM 26 CA TRP A 26 252.323 248.441 242.903 1.00 0.00 C +ATOM 27 CA VAL A 27 254.112 245.077 242.902 1.00 0.00 C +ATOM 28 CA ARG A 28 254.837 243.243 246.161 1.00 0.00 C +ATOM 29 CA PHE A 29 256.943 243.911 249.265 1.00 0.00 C +ATOM 30 CA PRO A 30 256.756 242.329 252.726 1.00 0.00 C +ATOM 31 CA ARG A 31 258.891 239.179 252.542 1.00 0.00 C +ATOM 32 CA ASN A 32 261.205 236.232 253.231 1.00 0.00 C +ATOM 33 CA PRO A 33 263.889 235.500 250.628 1.00 0.00 C +ATOM 34 CA LYS A 34 266.541 236.333 248.022 1.00 0.00 C +ATOM 35 CA ARG A 35 267.246 235.278 244.430 1.00 0.00 C +ATOM 36 CA GLN A 36 266.901 232.323 242.050 1.00 0.00 C +ATOM 37 CA THR A 37 267.313 228.536 242.052 1.00 0.00 C +ATOM 38 CA VAL A 38 266.931 224.772 241.603 1.00 0.00 C +ATOM 39 CA THR A 39 267.623 223.016 244.913 1.00 0.00 C +ATOM 40 CA SER A 40 271.349 222.744 245.656 1.00 0.00 C +ATOM 41 CA LYS A 41 272.873 221.488 248.915 1.00 0.00 C +ATOM 42 CA THR A 42 275.034 223.147 251.578 1.00 0.00 C +ATOM 43 CA ASP A 43 277.432 225.727 253.029 1.00 0.00 C +ATOM 44 CA ASP A 44 276.974 227.829 256.173 1.00 0.00 C +ATOM 45 CA ILE A 45 275.730 228.591 259.693 1.00 0.00 C +ATOM 46 CA VAL A 46 275.355 225.358 261.675 1.00 0.00 C +ATOM 47 CA ARG A 47 278.579 223.370 262.083 1.00 0.00 C +ATOM 48 CA HIS A 48 280.251 223.131 258.667 1.00 0.00 C +ATOM 49 CA PHE A 49 283.717 221.702 259.346 1.00 0.00 C +ATOM 50 CA GLN A 50 286.860 221.376 257.217 1.00 0.00 C +TER 51 GLN A 50 +END diff --git a/Viruses/Q3YPN7/Q3YPN7.dcd b/Viruses/Q3YPN7/Q3YPN7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..48e9f55df9d1a4767f16255a1a52bdf97b6e063d --- /dev/null +++ b/Viruses/Q3YPN7/Q3YPN7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:42f68bdf44e47951edd1cc6479d9a4876254a3be7abc57e993656d74d10b380c +size 7640276 diff --git a/Viruses/Q3YPN7/top.pdb b/Viruses/Q3YPN7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4d42cc12491241811967c9d9d037f3650e5c6525 --- /dev/null +++ b/Viruses/Q3YPN7/top.pdb @@ -0,0 +1,61 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 260.762 253.724 279.224 1.00 0.00 C +ATOM 2 CA GLY A 2 263.305 253.102 281.992 1.00 0.00 C +ATOM 3 CA GLN A 3 265.535 250.151 282.906 1.00 0.00 C +ATOM 4 CA GLU A 4 268.147 247.386 283.126 1.00 0.00 C +ATOM 5 CA GLN A 5 267.516 243.673 282.550 1.00 0.00 C +ATOM 6 CA GLY A 6 265.286 241.559 280.298 1.00 0.00 C +ATOM 7 CA THR A 7 263.955 240.245 276.978 1.00 0.00 C +ATOM 8 CA PRO A 8 262.613 242.835 274.527 1.00 0.00 C +ATOM 9 CA TRP A 9 265.007 245.795 274.680 1.00 0.00 C +ATOM 10 CA ILE A 10 268.484 245.776 276.236 1.00 0.00 C +ATOM 11 CA GLN A 11 270.887 245.384 273.306 1.00 0.00 C +ATOM 12 CA SER A 12 272.319 244.163 269.993 1.00 0.00 C +ATOM 13 CA THR A 13 270.657 241.473 267.867 1.00 0.00 C +ATOM 14 CA GLY A 14 267.160 241.386 266.359 1.00 0.00 C +ATOM 15 CA HIS A 15 264.203 242.554 264.258 1.00 0.00 C +ATOM 16 CA ILE A 16 263.985 244.595 261.049 1.00 0.00 C +ATOM 17 CA SER A 17 265.753 246.502 258.264 1.00 0.00 C +ATOM 18 CA THR A 18 265.580 247.248 254.532 1.00 0.00 C +ATOM 19 CA GLN A 19 266.492 248.016 250.913 1.00 0.00 C +ATOM 20 CA LYS A 20 265.096 246.994 247.519 1.00 0.00 C +ATOM 21 CA GLU A 21 265.614 248.950 244.290 1.00 0.00 C +ATOM 22 CA GLU A 22 264.122 252.450 244.089 1.00 0.00 C +ATOM 23 CA ASP A 23 260.883 252.223 246.081 1.00 0.00 C +ATOM 24 CA GLY A 24 257.706 250.999 244.372 1.00 0.00 C +ATOM 25 CA GLN A 25 254.805 249.493 242.413 1.00 0.00 C +ATOM 26 CA LYS A 26 252.376 250.509 239.660 1.00 0.00 C +ATOM 27 CA ILE A 27 248.815 249.512 238.743 1.00 0.00 C +ATOM 28 CA PRO A 28 246.172 250.344 236.128 1.00 0.00 C +ATOM 29 CA LYS A 29 245.610 253.949 235.033 1.00 0.00 C +ATOM 30 CA LEU A 30 248.605 256.076 236.043 1.00 0.00 C +ATOM 31 CA GLU A 31 247.515 259.520 237.253 1.00 0.00 C +ATOM 32 CA HIS A 32 248.180 263.109 236.161 1.00 0.00 C +ATOM 33 CA ARG A 33 250.178 266.353 236.179 1.00 0.00 C +ATOM 34 CA ASN A 34 249.100 269.634 237.786 1.00 0.00 C +ATOM 35 CA SER A 35 245.701 270.883 238.973 1.00 0.00 C +ATOM 36 CA THR A 36 245.058 272.779 242.214 1.00 0.00 C +ATOM 37 CA GLN A 37 241.367 273.693 242.460 1.00 0.00 C +ATOM 38 CA LEU A 38 239.699 270.762 244.233 1.00 0.00 C +ATOM 39 CA MET A 39 236.999 269.483 241.868 1.00 0.00 C +ATOM 40 CA ASP A 40 233.989 267.180 241.482 1.00 0.00 C +ATOM 41 CA HIS A 41 231.160 266.982 238.937 1.00 0.00 C +ATOM 42 CA TYR A 42 231.798 264.926 235.794 1.00 0.00 C +ATOM 43 CA PRO A 43 232.596 261.324 234.839 1.00 0.00 C +ATOM 44 CA LYS A 44 231.503 258.028 236.406 1.00 0.00 C +ATOM 45 CA THR A 45 231.743 254.530 237.896 1.00 0.00 C +ATOM 46 CA MET A 46 231.430 251.451 235.674 1.00 0.00 C +ATOM 47 CA ASN A 47 229.858 248.076 236.483 1.00 0.00 C +ATOM 48 CA GLN A 48 232.491 246.297 238.585 1.00 0.00 C +ATOM 49 CA VAL A 49 231.444 243.593 241.056 1.00 0.00 C +ATOM 50 CA ALA A 50 234.073 241.107 242.250 1.00 0.00 C +ATOM 51 CA MET A 51 232.333 237.727 242.499 1.00 0.00 C +ATOM 52 CA PRO A 52 231.999 234.200 241.096 1.00 0.00 C +ATOM 53 CA LYS A 53 230.438 230.780 240.478 1.00 0.00 C +ATOM 54 CA GLN A 54 232.656 229.076 237.891 1.00 0.00 C +ATOM 55 CA ILE A 55 232.520 226.256 235.332 1.00 0.00 C +ATOM 56 CA VAL A 56 233.504 223.303 233.135 1.00 0.00 C +ATOM 57 CA TYR A 57 233.219 221.885 229.610 1.00 0.00 C +TER 58 TYR A 57 +END diff --git a/Viruses/Q45KG1/Q45KG1.dcd b/Viruses/Q45KG1/Q45KG1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f025cd13bfb9cf87b6a17f46da04ba8379e43d8f --- /dev/null +++ b/Viruses/Q45KG1/Q45KG1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:45630122ca959143981ac6d0789eab5317002f01be3c338b54a3917c86432a08 +size 12320276 diff --git a/Viruses/Q45KG1/top.pdb b/Viruses/Q45KG1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..87cb09aa3f89b3cf9d58ab97c5e09cccb5670490 --- /dev/null +++ b/Viruses/Q45KG1/top.pdb @@ -0,0 +1,100 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLY A 1 291.216 262.298 249.068 1.00 0.00 C +ATOM 2 CA LYS A 2 293.385 260.224 251.416 1.00 0.00 C +ATOM 3 CA SER A 3 293.697 257.337 253.883 1.00 0.00 C +ATOM 4 CA LEU A 4 290.385 255.459 253.749 1.00 0.00 C +ATOM 5 CA SER A 5 288.268 255.639 256.912 1.00 0.00 C +ATOM 6 CA ARG A 6 285.328 256.671 259.105 1.00 0.00 C +ATOM 7 CA GLU A 7 284.370 257.885 262.587 1.00 0.00 C +ATOM 8 CA GLU A 8 285.771 258.829 266.002 1.00 0.00 C +ATOM 9 CA GLU A 9 286.834 255.887 268.178 1.00 0.00 C +ATOM 10 CA GLY A 10 286.465 256.543 271.913 1.00 0.00 C +ATOM 11 CA GLU A 11 283.158 258.006 273.113 1.00 0.00 C +ATOM 12 CA HIS A 12 280.256 255.570 273.504 1.00 0.00 C +ATOM 13 CA LYS A 13 277.462 255.059 270.964 1.00 0.00 C +ATOM 14 CA ARG A 14 275.913 258.396 269.972 1.00 0.00 C +ATOM 15 CA LEU A 15 274.452 260.782 267.386 1.00 0.00 C +ATOM 16 CA THR A 16 271.313 262.900 266.962 1.00 0.00 C +ATOM 17 CA GLU A 17 268.449 264.037 269.203 1.00 0.00 C +ATOM 18 CA GLU A 18 265.644 261.464 269.033 1.00 0.00 C +ATOM 19 CA ASP A 19 263.888 258.096 268.740 1.00 0.00 C +ATOM 20 CA GLU A 20 261.690 257.549 271.804 1.00 0.00 C +ATOM 21 CA ARG A 21 259.732 255.679 274.484 1.00 0.00 C +ATOM 22 CA ARG A 22 256.322 255.269 276.133 1.00 0.00 C +ATOM 23 CA GLU A 23 253.172 253.239 275.443 1.00 0.00 C +ATOM 24 CA ARG A 24 250.692 255.484 273.620 1.00 0.00 C +ATOM 25 CA ARG A 25 251.871 257.415 270.554 1.00 0.00 C +ATOM 26 CA THR A 26 251.824 259.227 267.203 1.00 0.00 C +ATOM 27 CA ALA A 27 249.785 262.031 265.623 1.00 0.00 C +ATOM 28 CA GLY A 28 249.674 265.084 263.347 1.00 0.00 C +ATOM 29 CA PRO A 29 252.335 267.275 261.725 1.00 0.00 C +ATOM 30 CA PRO A 30 253.708 270.595 260.456 1.00 0.00 C +ATOM 31 CA THR A 31 257.400 271.348 261.019 1.00 0.00 C +ATOM 32 CA GLY A 32 260.867 272.851 261.508 1.00 0.00 C +ATOM 33 CA GLY A 33 263.891 270.605 260.932 1.00 0.00 C +ATOM 34 CA VAL A 34 267.612 270.907 261.692 1.00 0.00 C +ATOM 35 CA ASN A 35 270.714 268.828 260.937 1.00 0.00 C +ATOM 36 CA PRO A 36 271.300 266.866 257.724 1.00 0.00 C +ATOM 37 CA LEU A 37 273.009 265.215 254.746 1.00 0.00 C +ATOM 38 CA GLU A 38 272.457 262.827 251.828 1.00 0.00 C +ATOM 39 CA GLY A 39 269.885 260.209 250.808 1.00 0.00 C +ATOM 40 CA GLY A 40 266.790 261.422 248.945 1.00 0.00 C +ATOM 41 CA SER A 41 266.527 262.743 245.381 1.00 0.00 C +ATOM 42 CA ARG A 42 264.665 260.440 242.984 1.00 0.00 C +ATOM 43 CA GLY A 43 261.079 260.673 241.720 1.00 0.00 C +ATOM 44 CA ALA A 44 257.372 261.242 241.049 1.00 0.00 C +ATOM 45 CA PRO A 45 255.957 257.736 240.576 1.00 0.00 C +ATOM 46 CA GLY A 46 256.877 256.591 237.060 1.00 0.00 C +ATOM 47 CA GLY A 47 254.176 256.503 234.375 1.00 0.00 C +ATOM 48 CA GLY A 48 251.240 257.667 232.243 1.00 0.00 C +ATOM 49 CA PHE A 49 248.496 258.943 234.557 1.00 0.00 C +ATOM 50 CA VAL A 50 245.854 261.178 232.963 1.00 0.00 C +ATOM 51 CA PRO A 51 242.550 259.603 234.023 1.00 0.00 C +ATOM 52 CA SER A 52 242.027 255.890 233.349 1.00 0.00 C +ATOM 53 CA LEU A 53 242.270 252.987 230.894 1.00 0.00 C +ATOM 54 CA GLN A 54 242.698 249.538 229.333 1.00 0.00 C +ATOM 55 CA GLY A 55 242.453 247.681 226.015 1.00 0.00 C +ATOM 56 CA VAL A 56 240.073 249.235 223.477 1.00 0.00 C +ATOM 57 CA PRO A 57 240.915 250.790 220.103 1.00 0.00 C +ATOM 58 CA GLU A 58 241.466 252.776 216.898 1.00 0.00 C +ATOM 59 CA SER A 59 238.561 252.555 214.443 1.00 0.00 C +ATOM 60 CA PRO A 60 236.635 249.299 213.989 1.00 0.00 C +ATOM 61 CA PHE A 61 238.069 245.845 214.717 1.00 0.00 C +ATOM 62 CA THR A 62 240.246 244.045 217.274 1.00 0.00 C +ATOM 63 CA ARG A 63 241.341 243.389 220.864 1.00 0.00 C +ATOM 64 CA THR A 64 238.954 241.339 223.012 1.00 0.00 C +ATOM 65 CA GLY A 65 239.215 238.920 225.943 1.00 0.00 C +ATOM 66 CA GLU A 66 236.439 238.859 228.553 1.00 0.00 C +ATOM 67 CA GLY A 67 235.565 237.385 231.956 1.00 0.00 C +ATOM 68 CA LEU A 68 237.082 234.623 234.097 1.00 0.00 C +ATOM 69 CA ASP A 69 236.219 231.061 233.053 1.00 0.00 C +ATOM 70 CA THR A 70 234.904 227.743 234.387 1.00 0.00 C +ATOM 71 CA ARG A 71 233.199 228.121 237.773 1.00 0.00 C +ATOM 72 CA GLY A 72 231.437 229.886 240.653 1.00 0.00 C +ATOM 73 CA ASN A 73 230.472 233.569 240.505 1.00 0.00 C +ATOM 74 CA SER A 74 233.373 236.037 240.405 1.00 0.00 C +ATOM 75 CA GLY A 75 235.099 237.650 243.394 1.00 0.00 C +ATOM 76 CA PHE A 76 235.414 240.733 245.610 1.00 0.00 C +ATOM 77 CA PRO A 77 236.856 243.743 247.449 1.00 0.00 C +ATOM 78 CA TRP A 78 235.518 244.244 250.981 1.00 0.00 C +ATOM 79 CA ASP A 79 231.816 244.232 251.884 1.00 0.00 C +ATOM 80 CA ILE A 80 229.004 246.211 250.243 1.00 0.00 C +ATOM 81 CA LEU A 81 226.303 244.543 248.136 1.00 0.00 C +ATOM 82 CA LEU A 82 224.821 241.837 250.371 1.00 0.00 C +ATOM 83 CA PRO A 83 222.571 242.727 253.314 1.00 0.00 C +ATOM 84 CA SER A 84 219.600 240.415 253.903 1.00 0.00 C +ATOM 85 CA ASP A 85 219.859 236.615 253.813 1.00 0.00 C +ATOM 86 CA PRO A 86 217.215 233.884 254.071 1.00 0.00 C +ATOM 87 CA PRO A 87 217.595 230.213 255.018 1.00 0.00 C +ATOM 88 CA LEU A 88 220.616 229.129 257.072 1.00 0.00 C +ATOM 89 CA SER A 89 222.010 225.611 257.514 1.00 0.00 C +ATOM 90 CA PRO A 90 224.435 222.682 257.748 1.00 0.00 C +ATOM 91 CA GLN A 91 223.893 220.260 260.639 1.00 0.00 C +ATOM 92 CA SER A 92 220.331 220.099 261.981 1.00 0.00 C +ATOM 93 CA CYS A 93 217.189 222.253 262.048 1.00 0.00 C +ATOM 94 CA ARG A 94 213.411 222.073 262.508 1.00 0.00 C +ATOM 95 CA PRO A 95 210.212 221.615 260.489 1.00 0.00 C +ATOM 96 CA GLN A 96 206.846 223.333 260.969 1.00 0.00 C +TER 97 GLN A 96 +END diff --git a/Viruses/Q461X8/Q461X8.dcd b/Viruses/Q461X8/Q461X8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e3900836e1a13a81e098365f49826b9c272933e5 --- /dev/null +++ b/Viruses/Q461X8/Q461X8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0a5c2399a1e64365060ed8719098243b156f0b7f6a18f808fedb0beba3a374ae +size 13040276 diff --git a/Viruses/Q461X8/top.pdb b/Viruses/Q461X8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..28b7a0fc8bf5cf44ea9eaa9e6b027573a771d968 --- /dev/null +++ b/Viruses/Q461X8/top.pdb @@ -0,0 +1,106 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 281.051 221.005 247.171 1.00 0.00 C +ATOM 2 CA VAL A 2 280.021 224.641 246.688 1.00 0.00 C +ATOM 3 CA TYR A 3 277.923 227.818 246.829 1.00 0.00 C +ATOM 4 CA ARG A 4 277.823 231.418 245.586 1.00 0.00 C +ATOM 5 CA ARG A 5 280.801 233.610 244.669 1.00 0.00 C +ATOM 6 CA ARG A 6 280.553 237.205 245.907 1.00 0.00 C +ATOM 7 CA SER A 7 277.604 238.051 248.166 1.00 0.00 C +ATOM 8 CA SER A 8 274.871 236.602 250.390 1.00 0.00 C +ATOM 9 CA GLY A 9 272.546 236.394 253.401 1.00 0.00 C +ATOM 10 CA GLY A 10 272.417 239.875 254.945 1.00 0.00 C +ATOM 11 CA ARG A 11 270.271 242.246 252.874 1.00 0.00 C +ATOM 12 CA ARG A 12 266.937 243.320 251.376 1.00 0.00 C +ATOM 13 CA ARG A 13 263.572 242.379 249.856 1.00 0.00 C +ATOM 14 CA SER A 14 260.125 241.641 251.302 1.00 0.00 C +ATOM 15 CA SER A 15 257.960 238.559 251.877 1.00 0.00 C +ATOM 16 CA GLY A 16 258.270 237.165 255.409 1.00 0.00 C +ATOM 17 CA GLY A 17 254.947 237.407 257.258 1.00 0.00 C +ATOM 18 CA ARG A 18 251.310 237.524 256.128 1.00 0.00 C +ATOM 19 CA ARG A 19 250.017 241.098 255.869 1.00 0.00 C +ATOM 20 CA ARG A 20 251.142 242.243 252.413 1.00 0.00 C +ATOM 21 CA SER A 21 252.902 245.427 251.280 1.00 0.00 C +ATOM 22 CA SER A 22 251.876 248.954 252.292 1.00 0.00 C +ATOM 23 CA GLY A 23 248.649 250.950 252.629 1.00 0.00 C +ATOM 24 CA SER A 24 245.191 251.136 251.039 1.00 0.00 C +ATOM 25 CA ARG A 25 242.046 249.533 249.607 1.00 0.00 C +ATOM 26 CA ARG A 26 240.516 250.157 246.173 1.00 0.00 C +ATOM 27 CA ARG A 27 239.588 251.026 242.582 1.00 0.00 C +ATOM 28 CA SER A 28 242.213 250.564 239.859 1.00 0.00 C +ATOM 29 CA SER A 29 241.528 249.394 236.299 1.00 0.00 C +ATOM 30 CA GLY A 30 241.660 246.049 234.480 1.00 0.00 C +ATOM 31 CA GLY A 31 239.450 245.852 231.383 1.00 0.00 C +ATOM 32 CA GLN A 32 235.997 246.646 229.981 1.00 0.00 C +ATOM 33 CA ASN A 33 234.521 250.132 230.406 1.00 0.00 C +ATOM 34 CA ARG A 34 231.729 252.720 230.554 1.00 0.00 C +ATOM 35 CA ARG A 35 231.918 256.507 230.926 1.00 0.00 C +ATOM 36 CA ARG A 36 233.721 259.473 229.355 1.00 0.00 C +ATOM 37 CA SER A 37 236.682 261.847 229.026 1.00 0.00 C +ATOM 38 CA SER A 38 239.592 260.274 230.918 1.00 0.00 C +ATOM 39 CA GLY A 39 243.372 260.395 231.376 1.00 0.00 C +ATOM 40 CA GLY A 40 244.159 259.217 234.913 1.00 0.00 C +ATOM 41 CA ARG A 41 245.733 256.667 237.266 1.00 0.00 C +ATOM 42 CA ARG A 42 249.349 257.763 237.754 1.00 0.00 C +ATOM 43 CA ARG A 43 250.585 255.640 240.666 1.00 0.00 C +ATOM 44 CA SER A 44 253.915 253.922 241.357 1.00 0.00 C +ATOM 45 CA SER A 45 253.323 251.923 244.546 1.00 0.00 C +ATOM 46 CA GLY A 46 250.165 252.604 246.566 1.00 0.00 C +ATOM 47 CA GLY A 47 249.603 255.848 248.483 1.00 0.00 C +ATOM 48 CA GLN A 48 250.062 258.998 250.576 1.00 0.00 C +ATOM 49 CA TYR A 49 251.288 258.338 254.123 1.00 0.00 C +ATOM 50 CA ARG A 50 251.393 255.582 256.751 1.00 0.00 C +ATOM 51 CA ARG A 51 252.385 255.121 260.401 1.00 0.00 C +ATOM 52 CA ARG A 52 253.646 258.458 261.738 1.00 0.00 C +ATOM 53 CA SER A 53 253.506 258.576 265.544 1.00 0.00 C +ATOM 54 CA THR A 54 256.923 258.149 267.174 1.00 0.00 C +ATOM 55 CA SER A 55 259.942 256.209 268.455 1.00 0.00 C +ATOM 56 CA ARG A 56 262.324 254.141 266.318 1.00 0.00 C +ATOM 57 CA ARG A 57 263.009 250.668 264.908 1.00 0.00 C +ATOM 58 CA ARG A 58 265.030 250.859 261.683 1.00 0.00 C +ATOM 59 CA SER A 59 265.797 250.799 257.952 1.00 0.00 C +ATOM 60 CA SER A 60 264.378 252.437 254.818 1.00 0.00 C +ATOM 61 CA GLY A 61 264.805 256.118 253.933 1.00 0.00 C +ATOM 62 CA GLY A 62 263.643 258.298 256.833 1.00 0.00 C +ATOM 63 CA GLY A 63 263.125 258.350 260.608 1.00 0.00 C +ATOM 64 CA GLY A 64 259.625 257.022 261.318 1.00 0.00 C +ATOM 65 CA GLY A 65 258.166 254.951 258.471 1.00 0.00 C +ATOM 66 CA ARG A 66 256.728 251.867 256.759 1.00 0.00 C +ATOM 67 CA ARG A 67 258.200 248.787 258.451 1.00 0.00 C +ATOM 68 CA GLY A 68 256.439 245.437 258.013 1.00 0.00 C +ATOM 69 CA SER A 69 254.555 244.832 261.269 1.00 0.00 C +ATOM 70 CA SER A 70 254.255 246.342 264.754 1.00 0.00 C +ATOM 71 CA ARG A 71 250.550 246.512 265.626 1.00 0.00 C +ATOM 72 CA GLY A 72 247.640 248.521 267.044 1.00 0.00 C +ATOM 73 CA GLY A 73 245.655 251.307 265.366 1.00 0.00 C +ATOM 74 CA ARG A 74 246.669 254.471 263.502 1.00 0.00 C +ATOM 75 CA ARG A 75 246.237 253.730 259.790 1.00 0.00 C +ATOM 76 CA ARG A 76 244.125 250.961 258.245 1.00 0.00 C +ATOM 77 CA ARG A 77 241.699 248.897 260.336 1.00 0.00 C +ATOM 78 CA PRO A 78 242.304 245.663 262.258 1.00 0.00 C +ATOM 79 CA GLY A 79 239.248 244.018 263.831 1.00 0.00 C +ATOM 80 CA ARG A 80 237.093 241.751 261.655 1.00 0.00 C +ATOM 81 CA PRO A 81 233.977 241.339 259.502 1.00 0.00 C +ATOM 82 CA ARG A 82 230.179 241.029 259.527 1.00 0.00 C +ATOM 83 CA GLY A 83 227.093 240.238 257.438 1.00 0.00 C +ATOM 84 CA ARG A 84 225.852 241.060 253.931 1.00 0.00 C +ATOM 85 CA ARG A 85 226.768 243.732 251.375 1.00 0.00 C +ATOM 86 CA SER A 86 227.701 247.394 250.888 1.00 0.00 C +ATOM 87 CA SER A 87 229.821 249.423 253.317 1.00 0.00 C +ATOM 88 CA SER A 88 230.617 253.148 253.241 1.00 0.00 C +ATOM 89 CA GLY A 89 233.227 255.339 251.536 1.00 0.00 C +ATOM 90 CA GLY A 90 231.894 256.913 248.333 1.00 0.00 C +ATOM 91 CA SER A 91 231.799 254.161 245.700 1.00 0.00 C +ATOM 92 CA ARG A 92 230.516 254.947 242.200 1.00 0.00 C +ATOM 93 CA ASN A 93 230.905 257.749 239.648 1.00 0.00 C +ATOM 94 CA PRO A 94 232.576 259.549 236.735 1.00 0.00 C +ATOM 95 CA TYR A 95 236.157 260.820 236.454 1.00 0.00 C +ATOM 96 CA GLY A 96 238.972 262.902 237.957 1.00 0.00 C +ATOM 97 CA TYR A 97 241.709 265.185 236.610 1.00 0.00 C +ATOM 98 CA SER A 98 245.179 265.974 235.249 1.00 0.00 C +ATOM 99 CA ARG A 99 248.691 264.615 235.826 1.00 0.00 C +ATOM 100 CA ARG A 100 249.513 265.658 239.397 1.00 0.00 C +ATOM 101 CA ARG A 101 251.603 265.175 242.546 1.00 0.00 C +ATOM 102 CA TYR A 102 254.664 266.659 244.262 1.00 0.00 C +TER 103 TYR A 102 +END diff --git a/Viruses/Q4A2Y9/Q4A2Y9.dcd b/Viruses/Q4A2Y9/Q4A2Y9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..3e46c6b80c8f809aa1338a3b16079bd3515ac795 --- /dev/null +++ b/Viruses/Q4A2Y9/Q4A2Y9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b8079cfcdd2e6234d900f626970efd2bf5c50a2209dc5596a9a08bfd7ae1e667 +size 15320276 diff --git a/Viruses/Q4A2Y9/top.pdb b/Viruses/Q4A2Y9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..654c60bb95fedd4a247d6eba82c300823f32e980 --- /dev/null +++ b/Viruses/Q4A2Y9/top.pdb @@ -0,0 +1,125 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 281.872 263.352 237.962 1.00 0.00 C +ATOM 2 CA ALA A 2 285.267 262.534 239.486 1.00 0.00 C +ATOM 3 CA VAL A 3 288.398 263.706 241.312 1.00 0.00 C +ATOM 4 CA VAL A 4 291.502 261.641 242.099 1.00 0.00 C +ATOM 5 CA SER A 5 292.613 259.057 244.669 1.00 0.00 C +ATOM 6 CA SER A 6 291.974 255.846 246.618 1.00 0.00 C +ATOM 7 CA VAL A 7 291.437 254.565 250.166 1.00 0.00 C +ATOM 8 CA PRO A 8 294.399 252.308 250.971 1.00 0.00 C +ATOM 9 CA GLY A 9 296.233 249.722 248.858 1.00 0.00 C +ATOM 10 CA SER A 10 299.792 248.691 249.746 1.00 0.00 C +ATOM 11 CA ARG A 11 300.515 245.067 248.820 1.00 0.00 C +ATOM 12 CA ALA A 12 300.784 245.003 245.020 1.00 0.00 C +ATOM 13 CA GLU A 13 297.878 246.886 243.430 1.00 0.00 C +ATOM 14 CA GLY A 14 297.535 250.658 243.016 1.00 0.00 C +ATOM 15 CA MET A 15 296.326 253.180 240.429 1.00 0.00 C +ATOM 16 CA LYS A 16 293.965 255.111 238.146 1.00 0.00 C +ATOM 17 CA VAL A 17 291.336 257.625 237.013 1.00 0.00 C +ATOM 18 CA ARG A 18 289.480 256.466 233.894 1.00 0.00 C +ATOM 19 CA LYS A 19 288.226 258.677 231.056 1.00 0.00 C +ATOM 20 CA ALA A 20 290.051 262.021 231.022 1.00 0.00 C +ATOM 21 CA SER A 21 292.790 264.305 232.364 1.00 0.00 C +ATOM 22 CA ASP A 22 293.759 267.038 234.835 1.00 0.00 C +ATOM 23 CA PRO A 23 293.767 270.488 233.219 1.00 0.00 C +ATOM 24 CA PRO A 24 294.663 270.397 229.517 1.00 0.00 C +ATOM 25 CA PRO A 25 291.523 269.419 227.592 1.00 0.00 C +ATOM 26 CA PRO A 26 290.496 269.730 223.937 1.00 0.00 C +ATOM 27 CA ALA A 27 289.659 266.619 221.903 1.00 0.00 C +ATOM 28 CA VAL A 28 285.951 265.985 222.506 1.00 0.00 C +ATOM 29 CA LYS A 29 285.440 264.908 226.125 1.00 0.00 C +ATOM 30 CA THR A 30 281.987 264.522 227.689 1.00 0.00 C +ATOM 31 CA ALA A 31 280.394 262.317 230.357 1.00 0.00 C +ATOM 32 CA ASN A 32 276.834 261.805 231.615 1.00 0.00 C +ATOM 33 CA GLU A 33 273.996 259.445 230.672 1.00 0.00 C +ATOM 34 CA LEU A 34 270.436 258.879 231.907 1.00 0.00 C +ATOM 35 CA LYS A 35 269.127 256.278 234.364 1.00 0.00 C +ATOM 36 CA ALA A 36 271.240 256.298 237.534 1.00 0.00 C +ATOM 37 CA GLU A 37 273.575 256.772 240.507 1.00 0.00 C +ATOM 38 CA LYS A 38 274.686 259.374 243.058 1.00 0.00 C +ATOM 39 CA LYS A 39 276.320 257.916 246.176 1.00 0.00 C +ATOM 40 CA ALA A 40 274.380 254.704 246.839 1.00 0.00 C +ATOM 41 CA THR A 41 270.854 253.973 245.595 1.00 0.00 C +ATOM 42 CA LYS A 42 268.928 250.787 246.403 1.00 0.00 C +ATOM 43 CA ALA A 43 267.544 251.132 249.936 1.00 0.00 C +ATOM 44 CA LEU A 44 264.303 253.099 249.558 1.00 0.00 C +ATOM 45 CA LYS A 45 260.765 251.732 249.918 1.00 0.00 C +ATOM 46 CA LYS A 46 259.006 248.359 250.127 1.00 0.00 C +ATOM 47 CA GLU A 47 260.124 245.238 252.004 1.00 0.00 C +ATOM 48 CA GLN A 48 259.234 243.386 255.213 1.00 0.00 C +ATOM 49 CA LYS A 49 262.374 243.497 257.367 1.00 0.00 C +ATOM 50 CA LYS A 50 262.218 244.412 261.062 1.00 0.00 C +ATOM 51 CA LYS A 51 259.651 247.053 262.040 1.00 0.00 C +ATOM 52 CA ASN A 52 256.931 245.172 263.932 1.00 0.00 C +ATOM 53 CA ASP A 53 253.506 244.747 265.546 1.00 0.00 C +ATOM 54 CA GLU A 54 249.776 244.007 265.312 1.00 0.00 C +ATOM 55 CA SER A 55 248.630 240.946 267.271 1.00 0.00 C +ATOM 56 CA ARG A 56 248.617 237.162 267.717 1.00 0.00 C +ATOM 57 CA LYS A 57 245.441 235.063 267.577 1.00 0.00 C +ATOM 58 CA ALA A 58 242.483 237.159 268.748 1.00 0.00 C +ATOM 59 CA ALA A 59 242.839 240.574 270.399 1.00 0.00 C +ATOM 60 CA LYS A 60 241.726 243.944 269.014 1.00 0.00 C +ATOM 61 CA LYS A 61 243.838 247.115 269.070 1.00 0.00 C +ATOM 62 CA ALA A 62 246.892 249.141 268.030 1.00 0.00 C +ATOM 63 CA ALA A 63 250.133 250.021 266.231 1.00 0.00 C +ATOM 64 CA LYS A 64 249.651 251.734 262.862 1.00 0.00 C +ATOM 65 CA LYS A 65 252.236 254.512 262.521 1.00 0.00 C +ATOM 66 CA PRO A 66 256.039 254.303 262.575 1.00 0.00 C +ATOM 67 CA VAL A 67 258.159 253.785 259.451 1.00 0.00 C +ATOM 68 CA GLU A 68 256.393 255.589 256.596 1.00 0.00 C +ATOM 69 CA SER A 69 253.721 254.545 254.089 1.00 0.00 C +ATOM 70 CA ARG A 70 252.330 255.477 250.667 1.00 0.00 C +ATOM 71 CA GLY A 71 249.598 252.939 249.885 1.00 0.00 C +ATOM 72 CA THR A 72 248.194 249.405 250.117 1.00 0.00 C +ATOM 73 CA LYS A 73 245.030 248.595 252.078 1.00 0.00 C +ATOM 74 CA LYS A 74 241.477 249.102 250.799 1.00 0.00 C +ATOM 75 CA THR A 75 238.085 248.460 249.187 1.00 0.00 C +ATOM 76 CA GLU A 76 236.698 251.593 247.521 1.00 0.00 C +ATOM 77 CA ARG A 77 234.675 254.107 245.495 1.00 0.00 C +ATOM 78 CA GLU A 78 231.924 256.742 245.585 1.00 0.00 C +ATOM 79 CA PRO A 79 228.480 255.159 245.197 1.00 0.00 C +ATOM 80 CA PRO A 80 224.680 255.425 245.270 1.00 0.00 C +ATOM 81 CA LYS A 81 222.488 258.519 244.901 1.00 0.00 C +ATOM 82 CA HIS A 82 220.591 261.778 244.354 1.00 0.00 C +ATOM 83 CA PHE A 83 220.064 265.489 245.032 1.00 0.00 C +ATOM 84 CA THR A 84 219.633 268.295 247.574 1.00 0.00 C +ATOM 85 CA THR A 85 220.383 267.273 251.167 1.00 0.00 C +ATOM 86 CA LYS A 86 218.201 264.305 252.139 1.00 0.00 C +ATOM 87 CA ASN A 87 215.908 261.753 253.798 1.00 0.00 C +ATOM 88 CA THR A 88 214.738 258.366 255.090 1.00 0.00 C +ATOM 89 CA THR A 89 211.215 258.680 256.507 1.00 0.00 C +ATOM 90 CA ASN A 90 208.042 256.753 255.652 1.00 0.00 C +ATOM 91 CA LEU A 91 205.297 255.110 257.722 1.00 0.00 C +ATOM 92 CA PRO A 92 204.318 251.784 259.300 1.00 0.00 C +ATOM 93 CA LYS A 93 207.519 250.239 260.673 1.00 0.00 C +ATOM 94 CA GLU A 94 208.148 246.735 259.316 1.00 0.00 C +ATOM 95 CA ILE A 95 211.936 246.551 258.951 1.00 0.00 C +ATOM 96 CA ARG A 96 215.545 245.534 259.627 1.00 0.00 C +ATOM 97 CA THR A 97 219.103 245.479 260.987 1.00 0.00 C +ATOM 98 CA ALA A 98 220.645 248.868 260.179 1.00 0.00 C +ATOM 99 CA ASN A 99 224.192 249.653 261.328 1.00 0.00 C +ATOM 100 CA PRO A 100 227.593 248.037 261.911 1.00 0.00 C +ATOM 101 CA ASN A 101 229.343 244.727 261.205 1.00 0.00 C +ATOM 102 CA VAL A 102 232.333 242.566 260.254 1.00 0.00 C +ATOM 103 CA LYS A 103 231.813 239.072 258.826 1.00 0.00 C +ATOM 104 CA LEU A 104 229.079 237.425 256.745 1.00 0.00 C +ATOM 105 CA GLY A 105 225.672 235.721 256.666 1.00 0.00 C +ATOM 106 CA GLN A 106 222.086 234.515 256.222 1.00 0.00 C +ATOM 107 CA ARG A 107 220.527 231.377 257.718 1.00 0.00 C +ATOM 108 CA GLU A 108 216.905 231.625 258.874 1.00 0.00 C +ATOM 109 CA GLU A 109 214.383 233.070 256.410 1.00 0.00 C +ATOM 110 CA SER A 110 210.951 231.617 257.205 1.00 0.00 C +ATOM 111 CA LYS A 111 207.262 231.227 258.074 1.00 0.00 C +ATOM 112 CA SER A 112 203.469 231.230 257.721 1.00 0.00 C +ATOM 113 CA LYS A 113 201.616 228.169 256.412 1.00 0.00 C +ATOM 114 CA SER A 114 199.656 225.825 254.136 1.00 0.00 C +ATOM 115 CA PRO A 115 197.400 227.882 251.858 1.00 0.00 C +ATOM 116 CA LEU A 116 194.647 227.737 249.228 1.00 0.00 C +ATOM 117 CA ARG A 117 192.304 224.752 249.562 1.00 0.00 C +ATOM 118 CA ILE A 118 193.664 221.735 251.451 1.00 0.00 C +ATOM 119 CA LEU A 119 194.068 217.974 250.998 1.00 0.00 C +ATOM 120 CA GLY A 120 195.739 215.908 253.729 1.00 0.00 C +ATOM 121 CA MET A 121 197.737 218.141 256.081 1.00 0.00 C +TER 122 MET A 121 +END diff --git a/Viruses/Q4GZW3/Q4GZW3.dcd b/Viruses/Q4GZW3/Q4GZW3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8fcc3a415c90e84692ade2aa24c9d804db69815a --- /dev/null +++ b/Viruses/Q4GZW3/Q4GZW3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:532970f5a2f85ce48837e6332717c9c1ebd1d7d3f6a5b3cb3c1f6065ff1f99fa +size 5480276 diff --git a/Viruses/Q4GZW3/top.pdb b/Viruses/Q4GZW3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2ee96e5afbff06c81f4ee62ca26c2c63bda3b2bc --- /dev/null +++ b/Viruses/Q4GZW3/top.pdb @@ -0,0 +1,43 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 246.768 246.696 226.560 1.00 0.00 C +ATOM 2 CA GLY A 2 249.901 247.510 228.570 1.00 0.00 C +ATOM 3 CA GLY A 3 253.117 248.777 226.969 1.00 0.00 C +ATOM 4 CA LYS A 4 256.583 249.229 228.485 1.00 0.00 C +ATOM 5 CA TRP A 5 260.186 249.646 229.654 1.00 0.00 C +ATOM 6 CA SER A 6 262.218 252.729 228.716 1.00 0.00 C +ATOM 7 CA LYS A 7 262.960 255.793 230.855 1.00 0.00 C +ATOM 8 CA PRO A 8 260.711 256.998 233.685 1.00 0.00 C +ATOM 9 CA SER A 9 257.134 256.571 234.925 1.00 0.00 C +ATOM 10 CA ARG A 10 253.498 257.480 234.239 1.00 0.00 C +ATOM 11 CA ASP A 11 252.304 254.988 231.616 1.00 0.00 C +ATOM 12 CA ARG A 12 253.147 251.557 233.042 1.00 0.00 C +ATOM 13 CA TRP A 13 250.718 250.487 235.775 1.00 0.00 C +ATOM 14 CA PRO A 14 247.202 249.633 234.583 1.00 0.00 C +ATOM 15 CA ALA A 15 246.490 245.894 234.751 1.00 0.00 C +ATOM 16 CA VAL A 16 244.394 242.944 235.943 1.00 0.00 C +ATOM 17 CA ARG A 17 244.432 242.832 239.751 1.00 0.00 C +ATOM 18 CA ASP A 18 244.719 239.296 241.143 1.00 0.00 C +ATOM 19 CA THR A 19 245.460 239.118 244.876 1.00 0.00 C +ATOM 20 CA GLU A 20 246.226 242.189 246.996 1.00 0.00 C +ATOM 21 CA LEU A 21 247.117 244.911 249.509 1.00 0.00 C +ATOM 22 CA SER A 22 247.019 246.900 252.757 1.00 0.00 C +ATOM 23 CA THR A 23 244.076 249.280 252.325 1.00 0.00 C +ATOM 24 CA ARG A 24 240.881 247.412 251.421 1.00 0.00 C +ATOM 25 CA ASP A 25 238.779 246.669 254.511 1.00 0.00 C +ATOM 26 CA PHE A 26 239.533 249.014 257.417 1.00 0.00 C +ATOM 27 CA ARG A 27 241.893 249.234 260.401 1.00 0.00 C +ATOM 28 CA THR A 28 242.486 249.691 264.136 1.00 0.00 C +ATOM 29 CA ALA A 29 246.254 249.603 264.690 1.00 0.00 C +ATOM 30 CA ASP A 30 249.261 248.196 266.559 1.00 0.00 C +ATOM 31 CA THR A 31 252.768 249.586 267.093 1.00 0.00 C +ATOM 32 CA GLU A 32 254.352 250.148 270.512 1.00 0.00 C +ATOM 33 CA LEU A 33 255.463 252.512 273.286 1.00 0.00 C +ATOM 34 CA SER A 34 255.727 254.734 276.370 1.00 0.00 C +ATOM 35 CA THR A 35 256.308 256.097 279.880 1.00 0.00 C +ATOM 36 CA ARG A 36 254.304 253.966 282.322 1.00 0.00 C +ATOM 37 CA ASP A 37 250.556 254.056 281.642 1.00 0.00 C +ATOM 38 CA PHE A 38 248.257 257.094 281.620 1.00 0.00 C +ATOM 39 CA PRO A 39 246.798 260.522 282.417 1.00 0.00 C +TER 40 PRO A 39 +END diff --git a/Viruses/Q4KPD1/Q4KPD1.dcd b/Viruses/Q4KPD1/Q4KPD1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..2ea05bd8ff1a3224814627fab46eea1c99a1daae --- /dev/null +++ b/Viruses/Q4KPD1/Q4KPD1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bf0f452a03dd6c75aa5baa146ad427b68162634a61027044cb937d6fe1d8f8d4 +size 9200276 diff --git a/Viruses/Q4KPD1/top.pdb b/Viruses/Q4KPD1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8f7f1907edd91a978787319983cd5cdb975a5d89 --- /dev/null +++ b/Viruses/Q4KPD1/top.pdb @@ -0,0 +1,74 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 264.887 261.943 295.434 1.00 0.00 C +ATOM 2 CA VAL A 2 267.874 261.380 293.138 1.00 0.00 C +ATOM 3 CA ARG A 3 269.874 260.833 289.941 1.00 0.00 C +ATOM 4 CA PRO A 4 271.502 263.286 287.523 1.00 0.00 C +ATOM 5 CA SER A 5 269.572 266.377 286.411 1.00 0.00 C +ATOM 6 CA ASP A 6 267.360 265.718 283.379 1.00 0.00 C +ATOM 7 CA ARG A 7 265.903 262.224 283.810 1.00 0.00 C +ATOM 8 CA ALA A 8 265.133 258.828 282.264 1.00 0.00 C +ATOM 9 CA VAL A 9 265.213 256.269 279.442 1.00 0.00 C +ATOM 10 CA ARG A 10 262.151 255.624 277.268 1.00 0.00 C +ATOM 11 CA PRO A 11 262.941 254.958 273.601 1.00 0.00 C +ATOM 12 CA ALA A 12 263.604 252.352 270.902 1.00 0.00 C +ATOM 13 CA GLY A 13 264.543 249.418 268.660 1.00 0.00 C +ATOM 14 CA GLY A 14 263.033 248.212 265.376 1.00 0.00 C +ATOM 15 CA LEU A 15 264.686 249.401 262.156 1.00 0.00 C +ATOM 16 CA LEU A 16 266.606 251.473 259.598 1.00 0.00 C +ATOM 17 CA GLY A 17 267.993 251.723 256.058 1.00 0.00 C +ATOM 18 CA VAL A 18 269.748 251.265 252.708 1.00 0.00 C +ATOM 19 CA SER A 19 268.686 253.935 250.207 1.00 0.00 C +ATOM 20 CA PRO A 20 265.909 253.317 247.673 1.00 0.00 C +ATOM 21 CA PRO A 21 264.236 255.386 244.946 1.00 0.00 C +ATOM 22 CA ARG A 22 261.853 258.209 245.877 1.00 0.00 C +ATOM 23 CA ILE A 23 260.339 261.315 244.270 1.00 0.00 C +ATOM 24 CA PRO A 24 258.091 261.758 241.227 1.00 0.00 C +ATOM 25 CA PHE A 25 259.525 264.313 238.793 1.00 0.00 C +ATOM 26 CA SER A 26 259.385 266.909 236.007 1.00 0.00 C +ATOM 27 CA PRO A 27 259.094 266.359 232.248 1.00 0.00 C +ATOM 28 CA LEU A 28 259.158 264.323 229.028 1.00 0.00 C +ATOM 29 CA ARG A 29 258.205 260.704 228.314 1.00 0.00 C +ATOM 30 CA GLN A 30 256.228 257.679 227.107 1.00 0.00 C +ATOM 31 CA ILE A 31 253.874 256.172 229.695 1.00 0.00 C +ATOM 32 CA PRO A 32 254.436 252.422 230.063 1.00 0.00 C +ATOM 33 CA PRO A 33 254.686 248.834 231.322 1.00 0.00 C +ATOM 34 CA SER A 34 251.583 248.048 233.388 1.00 0.00 C +ATOM 35 CA LEU A 35 248.776 246.024 234.983 1.00 0.00 C +ATOM 36 CA ASN A 36 249.560 244.820 238.512 1.00 0.00 C +ATOM 37 CA PRO A 37 250.522 241.375 239.823 1.00 0.00 C +ATOM 38 CA PRO A 38 252.316 238.152 240.778 1.00 0.00 C +ATOM 39 CA GLY A 39 251.875 234.637 239.375 1.00 0.00 C +ATOM 40 CA GLY A 40 248.597 233.238 240.720 1.00 0.00 C +ATOM 41 CA GLN A 41 245.491 234.586 242.466 1.00 0.00 C +ATOM 42 CA THR A 42 242.635 233.924 240.032 1.00 0.00 C +ATOM 43 CA SER A 43 239.177 233.883 241.630 1.00 0.00 C +ATOM 44 CA GLY A 44 236.391 236.482 241.633 1.00 0.00 C +ATOM 45 CA PRO A 45 233.064 235.798 243.360 1.00 0.00 C +ATOM 46 CA THR A 46 230.538 233.180 242.227 1.00 0.00 C +ATOM 47 CA GLU A 47 227.003 231.831 242.675 1.00 0.00 C +ATOM 48 CA ALA A 48 226.113 229.655 245.672 1.00 0.00 C +ATOM 49 CA ALA A 49 224.930 230.615 249.164 1.00 0.00 C +ATOM 50 CA ARG A 50 228.132 231.484 251.038 1.00 0.00 C +ATOM 51 CA ARG A 51 231.557 230.054 251.899 1.00 0.00 C +ATOM 52 CA THR A 52 233.969 230.622 249.006 1.00 0.00 C +ATOM 53 CA ALA A 53 236.565 233.295 248.210 1.00 0.00 C +ATOM 54 CA ARG A 54 238.638 236.469 248.593 1.00 0.00 C +ATOM 55 CA HIS A 55 242.032 237.084 246.975 1.00 0.00 C +ATOM 56 CA ARG A 56 244.704 239.680 247.772 1.00 0.00 C +ATOM 57 CA PRO A 57 247.101 242.637 247.608 1.00 0.00 C +ATOM 58 CA ARG A 58 245.907 244.833 244.733 1.00 0.00 C +ATOM 59 CA GLN A 59 243.754 247.975 244.631 1.00 0.00 C +ATOM 60 CA PRO A 60 240.358 249.614 244.089 1.00 0.00 C +ATOM 61 CA ARG A 61 238.219 252.161 242.231 1.00 0.00 C +ATOM 62 CA ARG A 62 239.124 252.707 238.570 1.00 0.00 C +ATOM 63 CA ARG A 63 236.472 253.704 236.022 1.00 0.00 C +ATOM 64 CA ARG A 64 236.530 257.134 234.365 1.00 0.00 C +ATOM 65 CA ASN A 65 233.959 259.721 235.466 1.00 0.00 C +ATOM 66 CA PRO A 66 231.003 258.681 237.634 1.00 0.00 C +ATOM 67 CA HIS A 67 229.837 259.342 241.200 1.00 0.00 C +ATOM 68 CA LEU A 68 227.824 262.506 241.873 1.00 0.00 C +ATOM 69 CA GLY A 69 224.486 264.318 242.175 1.00 0.00 C +ATOM 70 CA LEU A 70 224.931 266.811 245.022 1.00 0.00 C +TER 71 LEU A 70 +END diff --git a/Viruses/Q4KPE0/Q4KPE0.dcd b/Viruses/Q4KPE0/Q4KPE0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..11940968e384bdbf73d700629bc73a2b7c85494a --- /dev/null +++ b/Viruses/Q4KPE0/Q4KPE0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dd6d2c18cf2d40b6caede3a379a9284e02d788f1fb733908ae4b615b5d1d4b92 +size 7760276 diff --git a/Viruses/Q4KPE0/top.pdb b/Viruses/Q4KPE0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..31c2dba217ed2219cd3ac3f62a8a35963b687c44 --- /dev/null +++ b/Viruses/Q4KPE0/top.pdb @@ -0,0 +1,62 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 270.458 243.745 251.381 1.00 0.00 C +ATOM 2 CA THR A 2 270.579 247.527 251.826 1.00 0.00 C +ATOM 3 CA VAL A 3 269.217 250.065 254.320 1.00 0.00 C +ATOM 4 CA SER A 4 269.585 253.807 253.705 1.00 0.00 C +ATOM 5 CA GLY A 5 272.866 254.457 251.880 1.00 0.00 C +ATOM 6 CA ASP A 6 276.272 255.796 250.822 1.00 0.00 C +ATOM 7 CA ARG A 7 279.526 254.693 249.176 1.00 0.00 C +ATOM 8 CA GLU A 8 283.252 254.204 249.806 1.00 0.00 C +ATOM 9 CA THR A 9 285.176 256.179 247.178 1.00 0.00 C +ATOM 10 CA PHE A 10 287.041 257.055 243.973 1.00 0.00 C +ATOM 11 CA THR A 11 289.214 258.114 241.027 1.00 0.00 C +ATOM 12 CA CYS A 12 287.093 260.395 238.833 1.00 0.00 C +ATOM 13 CA PRO A 13 286.959 263.072 236.124 1.00 0.00 C +ATOM 14 CA MET A 14 284.969 266.313 235.901 1.00 0.00 C +ATOM 15 CA CYS A 15 281.840 266.940 233.818 1.00 0.00 C +ATOM 16 CA ARG A 16 278.617 266.546 235.811 1.00 0.00 C +ATOM 17 CA THR A 17 275.546 267.397 233.723 1.00 0.00 C +ATOM 18 CA GLY A 18 272.991 265.034 232.173 1.00 0.00 C +ATOM 19 CA PRO A 19 272.951 261.266 231.617 1.00 0.00 C +ATOM 20 CA GLN A 20 270.569 258.408 232.438 1.00 0.00 C +ATOM 21 CA ARG A 21 267.783 259.493 234.800 1.00 0.00 C +ATOM 22 CA VAL A 22 266.205 256.624 236.749 1.00 0.00 C +ATOM 23 CA SER A 23 265.753 257.501 240.429 1.00 0.00 C +ATOM 24 CA ARG A 24 263.701 256.704 243.539 1.00 0.00 C +ATOM 25 CA SER A 25 259.911 257.021 243.309 1.00 0.00 C +ATOM 26 CA GLY A 26 257.137 255.927 245.680 1.00 0.00 C +ATOM 27 CA LYS A 27 253.526 255.042 244.846 1.00 0.00 C +ATOM 28 CA ARG A 28 250.196 253.191 244.811 1.00 0.00 C +ATOM 29 CA ASP A 29 246.657 254.245 245.749 1.00 0.00 C +ATOM 30 CA CYS A 30 244.957 257.510 246.731 1.00 0.00 C +ATOM 31 CA ARG A 31 242.195 260.071 247.306 1.00 0.00 C +ATOM 32 CA LYS A 32 238.645 259.384 248.504 1.00 0.00 C +ATOM 33 CA CYS A 33 238.310 255.589 248.566 1.00 0.00 C +ATOM 34 CA ASP A 34 236.820 254.233 251.799 1.00 0.00 C +ATOM 35 CA TRP A 35 238.631 251.363 253.531 1.00 0.00 C +ATOM 36 CA GLU A 36 241.069 248.458 253.158 1.00 0.00 C +ATOM 37 CA TYR A 37 239.504 245.030 253.716 1.00 0.00 C +ATOM 38 CA ARG A 38 238.211 241.477 253.246 1.00 0.00 C +ATOM 39 CA PRO A 39 236.188 241.145 250.034 1.00 0.00 C +ATOM 40 CA SER A 40 232.754 242.363 248.922 1.00 0.00 C +ATOM 41 CA ARG A 41 230.576 245.145 247.496 1.00 0.00 C +ATOM 42 CA ASP A 42 228.997 247.696 249.844 1.00 0.00 C +ATOM 43 CA GLY A 43 227.221 248.756 253.044 1.00 0.00 C +ATOM 44 CA PRO A 44 225.049 245.907 254.340 1.00 0.00 C +ATOM 45 CA SER A 45 223.889 245.689 257.963 1.00 0.00 C +ATOM 46 CA GLY A 46 220.402 247.037 258.696 1.00 0.00 C +ATOM 47 CA SER A 47 216.604 247.073 258.400 1.00 0.00 C +ATOM 48 CA ASP A 48 214.385 244.356 259.887 1.00 0.00 C +ATOM 49 CA PRO A 49 214.091 240.607 259.277 1.00 0.00 C +ATOM 50 CA SER A 50 213.108 237.701 261.537 1.00 0.00 C +ATOM 51 CA LYS A 51 213.830 233.961 261.482 1.00 0.00 C +ATOM 52 CA GLN A 52 214.626 232.351 264.842 1.00 0.00 C +ATOM 53 CA VAL A 53 217.570 230.887 266.767 1.00 0.00 C +ATOM 54 CA GLY A 54 220.106 229.250 269.091 1.00 0.00 C +ATOM 55 CA LEU A 55 219.643 225.891 270.828 1.00 0.00 C +ATOM 56 CA ASP A 56 222.428 225.691 273.420 1.00 0.00 C +ATOM 57 CA ASN A 57 225.825 224.410 272.265 1.00 0.00 C +ATOM 58 CA TRP A 58 228.779 224.208 269.867 1.00 0.00 C +TER 59 TRP A 58 +END diff --git a/Viruses/Q4KPI4/Q4KPI4.dcd b/Viruses/Q4KPI4/Q4KPI4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a00490624d931f822efd8462fdd8a7c78ceeaaff --- /dev/null +++ b/Viruses/Q4KPI4/Q4KPI4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6e6aa047f4c9bd7afb7e0d9ff2a9a618a9f760a40ff72955248f6fc2db73b9ff +size 11840276 diff --git a/Viruses/Q4KPI4/top.pdb b/Viruses/Q4KPI4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..aa04b061d39050ecbc69efabb3029aa488da6795 --- /dev/null +++ b/Viruses/Q4KPI4/top.pdb @@ -0,0 +1,96 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 203.101 219.560 243.008 1.00 0.00 C +ATOM 2 CA ASN A 2 199.650 220.541 241.725 1.00 0.00 C +ATOM 3 CA PRO A 3 197.582 220.851 238.540 1.00 0.00 C +ATOM 4 CA GLY A 4 197.982 224.024 236.469 1.00 0.00 C +ATOM 5 CA GLY A 5 201.190 225.847 235.521 1.00 0.00 C +ATOM 6 CA PRO A 6 201.799 228.622 232.983 1.00 0.00 C +ATOM 7 CA THR A 7 203.493 228.398 229.577 1.00 0.00 C +ATOM 8 CA GLU A 8 207.047 229.483 228.737 1.00 0.00 C +ATOM 9 CA HIS A 9 207.874 232.707 226.882 1.00 0.00 C +ATOM 10 CA GLY A 10 211.581 233.359 227.475 1.00 0.00 C +ATOM 11 CA PRO A 11 213.299 235.526 224.854 1.00 0.00 C +ATOM 12 CA GLU A 12 213.788 239.254 225.470 1.00 0.00 C +ATOM 13 CA THR A 13 213.098 239.763 229.182 1.00 0.00 C +ATOM 14 CA ARG A 14 214.922 242.944 230.218 1.00 0.00 C +ATOM 15 CA ALA A 15 217.003 242.720 233.401 1.00 0.00 C +ATOM 16 CA THR A 16 220.501 243.349 234.774 1.00 0.00 C +ATOM 17 CA SER A 17 222.801 241.264 236.982 1.00 0.00 C +ATOM 18 CA THR A 18 225.077 242.199 239.891 1.00 0.00 C +ATOM 19 CA ALA A 19 228.544 241.629 241.363 1.00 0.00 C +ATOM 20 CA TRP A 20 230.142 243.160 244.465 1.00 0.00 C +ATOM 21 CA ARG A 21 229.016 246.269 246.357 1.00 0.00 C +ATOM 22 CA PRO A 22 226.007 245.851 248.657 1.00 0.00 C +ATOM 23 CA THR A 23 226.240 242.345 250.132 1.00 0.00 C +ATOM 24 CA THR A 24 229.744 240.850 250.145 1.00 0.00 C +ATOM 25 CA PRO A 25 230.677 239.644 253.636 1.00 0.00 C +ATOM 26 CA THR A 26 229.029 240.005 257.052 1.00 0.00 C +ATOM 27 CA PRO A 27 229.330 241.845 260.374 1.00 0.00 C +ATOM 28 CA THR A 28 231.996 241.288 263.038 1.00 0.00 C +ATOM 29 CA ARG A 29 235.363 241.801 261.331 1.00 0.00 C +ATOM 30 CA GLN A 30 238.743 242.825 262.760 1.00 0.00 C +ATOM 31 CA SER A 31 239.363 246.498 261.958 1.00 0.00 C +ATOM 32 CA ARG A 32 242.292 247.489 264.184 1.00 0.00 C +ATOM 33 CA PRO A 33 242.876 249.319 267.475 1.00 0.00 C +ATOM 34 CA ILE A 34 244.485 250.921 270.535 1.00 0.00 C +ATOM 35 CA SER A 35 242.162 250.050 273.427 1.00 0.00 C +ATOM 36 CA TRP A 36 241.029 249.568 277.032 1.00 0.00 C +ATOM 37 CA ALA A 37 240.903 245.803 277.598 1.00 0.00 C +ATOM 38 CA LYS A 38 240.288 242.780 275.362 1.00 0.00 C +ATOM 39 CA LEU A 39 243.372 241.705 273.400 1.00 0.00 C +ATOM 40 CA SER A 40 247.023 241.413 272.351 1.00 0.00 C +ATOM 41 CA PHE A 41 247.962 238.714 269.831 1.00 0.00 C +ATOM 42 CA ILE A 42 248.520 240.071 266.315 1.00 0.00 C +ATOM 43 CA THR A 43 250.043 243.455 265.449 1.00 0.00 C +ATOM 44 CA GLY A 44 250.292 243.810 261.664 1.00 0.00 C +ATOM 45 CA ARG A 45 248.395 245.670 258.932 1.00 0.00 C +ATOM 46 CA HIS A 46 245.515 247.885 257.787 1.00 0.00 C +ATOM 47 CA PRO A 47 244.487 251.381 256.676 1.00 0.00 C +ATOM 48 CA GLY A 48 244.219 254.860 258.206 1.00 0.00 C +ATOM 49 CA LEU A 49 247.211 255.715 260.405 1.00 0.00 C +ATOM 50 CA ARG A 50 249.541 252.701 260.366 1.00 0.00 C +ATOM 51 CA SER A 51 253.297 253.328 260.244 1.00 0.00 C +ATOM 52 CA ARG A 52 255.879 253.416 257.444 1.00 0.00 C +ATOM 53 CA GLY A 53 259.023 251.313 256.990 1.00 0.00 C +ATOM 54 CA GLY A 54 262.359 253.110 257.395 1.00 0.00 C +ATOM 55 CA PRO A 55 265.667 253.729 255.610 1.00 0.00 C +ATOM 56 CA PHE A 56 268.898 255.645 254.974 1.00 0.00 C +ATOM 57 CA SER A 57 269.112 259.448 254.905 1.00 0.00 C +ATOM 58 CA ARG A 58 268.702 261.482 251.709 1.00 0.00 C +ATOM 59 CA LEU A 59 266.172 264.236 252.438 1.00 0.00 C +ATOM 60 CA HIS A 60 264.465 267.579 251.785 1.00 0.00 C +ATOM 61 CA GLY A 61 261.745 268.654 249.343 1.00 0.00 C +ATOM 62 CA PRO A 62 259.179 269.856 246.797 1.00 0.00 C +ATOM 63 CA MET A 63 255.769 271.388 246.060 1.00 0.00 C +ATOM 64 CA ALA A 64 253.657 274.398 247.059 1.00 0.00 C +ATOM 65 CA ASP A 65 254.955 277.423 245.141 1.00 0.00 C +ATOM 66 CA ALA A 66 256.264 279.268 242.076 1.00 0.00 C +ATOM 67 CA ASN A 67 259.595 279.923 240.345 1.00 0.00 C +ATOM 68 CA PHE A 68 263.071 279.476 241.838 1.00 0.00 C +ATOM 69 CA ALA A 69 266.540 279.626 240.269 1.00 0.00 C +ATOM 70 CA GLY A 70 270.100 279.998 241.576 1.00 0.00 C +ATOM 71 CA PRO A 71 272.641 277.172 241.839 1.00 0.00 C +ATOM 72 CA SER A 72 274.934 274.729 240.025 1.00 0.00 C +ATOM 73 CA PRO A 73 277.606 272.681 238.241 1.00 0.00 C +ATOM 74 CA GLY A 74 280.151 273.018 235.427 1.00 0.00 C +ATOM 75 CA ALA A 75 283.375 271.232 236.393 1.00 0.00 C +ATOM 76 CA PHE A 76 283.600 267.455 236.837 1.00 0.00 C +ATOM 77 CA ARG A 77 285.472 264.612 238.549 1.00 0.00 C +ATOM 78 CA GLN A 78 284.146 263.985 242.065 1.00 0.00 C +ATOM 79 CA THR A 79 285.328 262.155 245.191 1.00 0.00 C +ATOM 80 CA TYR A 80 287.257 262.146 248.476 1.00 0.00 C +ATOM 81 CA ARG A 81 288.940 260.929 251.670 1.00 0.00 C +ATOM 82 CA ARG A 82 290.266 257.400 252.217 1.00 0.00 C +ATOM 83 CA GLU A 83 290.589 253.698 253.061 1.00 0.00 C +ATOM 84 CA THR A 84 294.290 252.806 253.221 1.00 0.00 C +ATOM 85 CA THR A 85 296.630 250.064 251.989 1.00 0.00 C +ATOM 86 CA ALA A 86 295.666 246.927 253.925 1.00 0.00 C +ATOM 87 CA ALA A 87 295.537 243.122 253.791 1.00 0.00 C +ATOM 88 CA ASP A 88 295.426 240.310 256.360 1.00 0.00 C +ATOM 89 CA GLU A 89 295.596 236.677 255.227 1.00 0.00 C +ATOM 90 CA GLU A 90 292.186 235.779 253.783 1.00 0.00 C +ATOM 91 CA GLY A 91 290.669 232.513 252.540 1.00 0.00 C +ATOM 92 CA ARG A 92 288.648 229.564 251.222 1.00 0.00 C +TER 93 ARG A 92 +END diff --git a/Viruses/Q4KPI5/Q4KPI5.dcd b/Viruses/Q4KPI5/Q4KPI5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..017b4f205e417716a93ffe71d131b62d22820691 --- /dev/null +++ b/Viruses/Q4KPI5/Q4KPI5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:179a814ee7837e526c37150969f454a7ce56ca1d521713bf0793dafc271c9d37 +size 6920276 diff --git a/Viruses/Q4KPI5/top.pdb b/Viruses/Q4KPI5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2dfc3058d7858515e35b665c9ff65ff5d73811b6 --- /dev/null +++ b/Viruses/Q4KPI5/top.pdb @@ -0,0 +1,55 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 261.279 226.427 237.124 1.00 0.00 C +ATOM 2 CA ARG A 2 258.084 226.154 235.067 1.00 0.00 C +ATOM 3 CA GLY A 3 254.999 228.015 236.306 1.00 0.00 C +ATOM 4 CA ALA A 4 254.714 230.493 239.186 1.00 0.00 C +ATOM 5 CA VAL A 5 256.712 232.657 241.602 1.00 0.00 C +ATOM 6 CA ARG A 6 260.405 233.095 242.431 1.00 0.00 C +ATOM 7 CA ALA A 7 261.056 236.053 244.742 1.00 0.00 C +ATOM 8 CA ALA A 8 262.143 237.520 248.086 1.00 0.00 C +ATOM 9 CA VAL A 9 264.710 240.200 247.228 1.00 0.00 C +ATOM 10 CA ARG A 10 268.457 240.886 247.295 1.00 0.00 C +ATOM 11 CA PHE A 11 271.026 240.982 250.108 1.00 0.00 C +ATOM 12 CA PRO A 12 271.855 240.854 253.824 1.00 0.00 C +ATOM 13 CA LEU A 13 273.991 240.741 256.977 1.00 0.00 C +ATOM 14 CA ARG A 14 274.055 241.571 260.694 1.00 0.00 C +ATOM 15 CA GLU A 15 270.601 240.859 262.136 1.00 0.00 C +ATOM 16 CA ASP A 16 267.159 242.076 263.226 1.00 0.00 C +ATOM 17 CA ALA A 17 267.381 245.097 265.537 1.00 0.00 C +ATOM 18 CA ASP A 18 265.983 248.088 263.636 1.00 0.00 C +ATOM 19 CA PRO A 19 263.263 250.754 263.502 1.00 0.00 C +ATOM 20 CA SER A 20 259.709 249.730 262.589 1.00 0.00 C +ATOM 21 CA PRO A 21 256.594 249.311 264.743 1.00 0.00 C +ATOM 22 CA THR A 22 254.417 249.475 267.865 1.00 0.00 C +ATOM 23 CA ARG A 23 251.271 248.769 269.895 1.00 0.00 C +ATOM 24 CA SER A 24 247.752 247.805 270.991 1.00 0.00 C +ATOM 25 CA ASP A 25 245.067 248.042 268.298 1.00 0.00 C +ATOM 26 CA GLY A 26 242.163 245.581 268.132 1.00 0.00 C +ATOM 27 CA ARG A 27 239.347 246.905 265.934 1.00 0.00 C +ATOM 28 CA ARG A 28 239.158 250.560 264.875 1.00 0.00 C +ATOM 29 CA GLN A 29 235.958 252.588 265.275 1.00 0.00 C +ATOM 30 CA ALA A 30 235.051 254.883 262.372 1.00 0.00 C +ATOM 31 CA GLY A 31 234.272 255.945 258.797 1.00 0.00 C +ATOM 32 CA ASP A 32 234.039 254.640 255.225 1.00 0.00 C +ATOM 33 CA SER A 33 233.980 255.115 251.445 1.00 0.00 C +ATOM 34 CA ARG A 34 233.717 255.617 247.677 1.00 0.00 C +ATOM 35 CA ALA A 35 235.002 257.222 244.470 1.00 0.00 C +ATOM 36 CA ALA A 36 233.053 260.048 242.818 1.00 0.00 C +ATOM 37 CA ARG A 37 231.263 263.368 242.279 1.00 0.00 C +ATOM 38 CA LEU A 38 230.702 265.334 245.494 1.00 0.00 C +ATOM 39 CA ARG A 39 231.917 268.779 246.577 1.00 0.00 C +ATOM 40 CA LEU A 40 234.417 271.515 245.694 1.00 0.00 C +ATOM 41 CA ARG A 41 237.112 270.564 243.175 1.00 0.00 C +ATOM 42 CA ARG A 42 238.642 267.641 241.269 1.00 0.00 C +ATOM 43 CA TRP A 43 239.481 267.356 237.564 1.00 0.00 C +ATOM 44 CA PRO A 44 238.171 264.846 235.015 1.00 0.00 C +ATOM 45 CA ARG A 45 240.805 262.321 233.915 1.00 0.00 C +ATOM 46 CA SER A 46 244.172 262.315 235.698 1.00 0.00 C +ATOM 47 CA SER A 47 247.133 260.231 234.512 1.00 0.00 C +ATOM 48 CA GLY A 48 247.084 257.113 232.322 1.00 0.00 C +ATOM 49 CA HIS A 49 249.341 257.737 229.317 1.00 0.00 C +ATOM 50 CA GLY A 50 251.579 254.733 228.623 1.00 0.00 C +ATOM 51 CA PRO A 51 249.760 251.390 228.439 1.00 0.00 C +TER 52 PRO A 51 +END diff --git a/Viruses/Q4KS53/Q4KS53.dcd b/Viruses/Q4KS53/Q4KS53.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a8931dcaeac07dde4f656ee050f8c53188870976 --- /dev/null +++ b/Viruses/Q4KS53/Q4KS53.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9e9c53c5ad2de05f45da6eac7d72d257eadb430f4ace14b3cf40d72d41dcdba7 +size 6200276 diff --git a/Viruses/Q4KS53/top.pdb b/Viruses/Q4KS53/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0b51a5d0e009c2ae7cc5a829811fc8f8eeaacce5 --- /dev/null +++ b/Viruses/Q4KS53/top.pdb @@ -0,0 +1,49 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 226.895 257.037 245.581 1.00 0.00 C +ATOM 2 CA ARG A 2 226.052 253.461 244.575 1.00 0.00 C +ATOM 3 CA ARG A 3 226.208 250.108 246.379 1.00 0.00 C +ATOM 4 CA ALA A 4 228.627 247.583 247.891 1.00 0.00 C +ATOM 5 CA ARG A 5 229.225 244.859 250.487 1.00 0.00 C +ATOM 6 CA HIS A 6 232.344 243.100 251.789 1.00 0.00 C +ATOM 7 CA LYS A 7 233.193 240.849 254.743 1.00 0.00 C +ATOM 8 CA ALA A 8 236.664 239.401 255.356 1.00 0.00 C +ATOM 9 CA SER A 9 237.962 236.636 253.080 1.00 0.00 C +ATOM 10 CA PRO A 10 237.200 232.978 252.331 1.00 0.00 C +ATOM 11 CA LEU A 11 236.262 230.605 249.501 1.00 0.00 C +ATOM 12 CA GLY A 12 239.532 229.255 248.089 1.00 0.00 C +ATOM 13 CA SER A 13 242.056 231.369 246.172 1.00 0.00 C +ATOM 14 CA LEU A 14 241.141 234.796 244.781 1.00 0.00 C +ATOM 15 CA GLN A 15 242.319 238.353 244.090 1.00 0.00 C +ATOM 16 CA ALA A 16 241.469 240.609 247.040 1.00 0.00 C +ATOM 17 CA LEU A 17 244.307 242.482 248.758 1.00 0.00 C +ATOM 18 CA LEU A 18 245.531 245.872 247.523 1.00 0.00 C +ATOM 19 CA GLN A 19 249.123 246.447 248.657 1.00 0.00 C +ATOM 20 CA THR A 20 251.551 243.668 247.709 1.00 0.00 C +ATOM 21 CA ASN A 21 253.646 241.700 245.208 1.00 0.00 C +ATOM 22 CA ASN A 22 257.204 241.220 243.932 1.00 0.00 C +ATOM 23 CA ASP A 23 258.731 244.701 243.670 1.00 0.00 C +ATOM 24 CA HIS A 24 257.152 246.699 240.837 1.00 0.00 C +ATOM 25 CA SER A 25 253.409 246.216 240.312 1.00 0.00 C +ATOM 26 CA SER A 26 249.833 247.417 240.849 1.00 0.00 C +ATOM 27 CA ASP A 27 247.471 250.171 242.012 1.00 0.00 C +ATOM 28 CA GLY A 28 248.850 253.176 243.904 1.00 0.00 C +ATOM 29 CA PRO A 29 247.197 255.171 246.697 1.00 0.00 C +ATOM 30 CA ALA A 30 248.793 258.626 246.521 1.00 0.00 C +ATOM 31 CA ALA A 31 249.785 261.817 248.350 1.00 0.00 C +ATOM 32 CA CYS A 32 253.069 262.770 250.031 1.00 0.00 C +ATOM 33 CA ARG A 33 254.926 262.570 253.352 1.00 0.00 C +ATOM 34 CA ALA A 34 258.603 262.429 254.339 1.00 0.00 C +ATOM 35 CA HIS A 35 262.342 262.557 253.620 1.00 0.00 C +ATOM 36 CA GLN A 36 263.667 259.002 253.970 1.00 0.00 C +ATOM 37 CA SER A 37 264.856 256.032 256.040 1.00 0.00 C +ATOM 38 CA SER A 38 264.505 256.917 259.729 1.00 0.00 C +ATOM 39 CA ASP A 39 265.712 260.523 259.966 1.00 0.00 C +ATOM 40 CA SER A 40 268.405 261.524 257.464 1.00 0.00 C +ATOM 41 CA GLY A 41 269.206 265.206 256.899 1.00 0.00 C +ATOM 42 CA PRO A 42 272.469 265.805 258.772 1.00 0.00 C +ATOM 43 CA TYR A 43 275.199 268.430 259.192 1.00 0.00 C +ATOM 44 CA ASP A 44 278.436 266.771 260.326 1.00 0.00 C +ATOM 45 CA ASP A 45 278.874 263.083 259.476 1.00 0.00 C +TER 46 ASP A 45 +END diff --git a/Viruses/Q4KSY7/Q4KSY7.dcd b/Viruses/Q4KSY7/Q4KSY7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f96878fb184813066a8846536bcbc118f439ebfa --- /dev/null +++ b/Viruses/Q4KSY7/Q4KSY7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2c57bb69d6c8710a02132479b554439b20a59703e8d5add7e34d96e01eea4169 +size 11600276 diff --git a/Viruses/Q4KSY7/top.pdb b/Viruses/Q4KSY7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0ea5e77b2a586b28ce37ff45d348e2478ad3526b --- /dev/null +++ b/Viruses/Q4KSY7/top.pdb @@ -0,0 +1,94 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 241.688 216.389 262.177 1.00 0.00 C +ATOM 2 CA VAL A 2 245.118 214.845 262.782 1.00 0.00 C +ATOM 3 CA TYR A 3 247.784 214.605 260.070 1.00 0.00 C +ATOM 4 CA ARG A 4 251.196 214.585 261.766 1.00 0.00 C +ATOM 5 CA ARG A 5 254.980 214.323 261.407 1.00 0.00 C +ATOM 6 CA ARG A 6 255.479 211.452 258.952 1.00 0.00 C +ATOM 7 CA SER A 7 252.352 211.396 256.776 1.00 0.00 C +ATOM 8 CA SER A 8 250.509 209.565 253.989 1.00 0.00 C +ATOM 9 CA GLY A 9 249.730 210.555 250.393 1.00 0.00 C +ATOM 10 CA GLY A 10 249.691 207.410 248.243 1.00 0.00 C +ATOM 11 CA ARG A 11 251.791 207.893 245.101 1.00 0.00 C +ATOM 12 CA ARG A 12 251.627 210.050 241.964 1.00 0.00 C +ATOM 13 CA ARG A 13 249.828 213.400 241.720 1.00 0.00 C +ATOM 14 CA SER A 14 251.934 216.420 240.739 1.00 0.00 C +ATOM 15 CA SER A 15 251.497 218.093 237.344 1.00 0.00 C +ATOM 16 CA GLY A 16 250.564 221.776 237.060 1.00 0.00 C +ATOM 17 CA GLY A 17 253.576 223.965 236.255 1.00 0.00 C +ATOM 18 CA ARG A 18 253.484 227.074 234.055 1.00 0.00 C +ATOM 19 CA ARG A 19 251.770 229.825 236.058 1.00 0.00 C +ATOM 20 CA ARG A 20 251.139 229.344 239.784 1.00 0.00 C +ATOM 21 CA SER A 21 251.261 231.578 242.868 1.00 0.00 C +ATOM 22 CA SER A 22 250.642 235.003 244.418 1.00 0.00 C +ATOM 23 CA GLY A 23 248.123 237.195 246.253 1.00 0.00 C +ATOM 24 CA GLY A 24 245.689 240.118 246.032 1.00 0.00 C +ATOM 25 CA ARG A 25 245.033 242.708 243.316 1.00 0.00 C +ATOM 26 CA ARG A 26 245.688 246.442 242.938 1.00 0.00 C +ATOM 27 CA ARG A 27 246.709 247.955 246.282 1.00 0.00 C +ATOM 28 CA SER A 28 248.202 251.460 246.207 1.00 0.00 C +ATOM 29 CA SER A 29 248.839 255.137 246.970 1.00 0.00 C +ATOM 30 CA GLY A 30 247.121 258.280 248.270 1.00 0.00 C +ATOM 31 CA GLY A 31 246.549 260.667 251.183 1.00 0.00 C +ATOM 32 CA GLN A 32 243.752 263.253 251.262 1.00 0.00 C +ATOM 33 CA TYR A 33 240.687 263.274 248.999 1.00 0.00 C +ATOM 34 CA ARG A 34 237.968 264.574 246.667 1.00 0.00 C +ATOM 35 CA ARG A 35 237.457 267.649 244.478 1.00 0.00 C +ATOM 36 CA ARG A 36 238.150 270.702 246.649 1.00 0.00 C +ATOM 37 CA SER A 37 235.036 272.897 246.636 1.00 0.00 C +ATOM 38 CA SER A 38 232.467 275.486 247.735 1.00 0.00 C +ATOM 39 CA GLY A 39 229.365 274.485 249.708 1.00 0.00 C +ATOM 40 CA GLY A 40 228.075 271.093 250.869 1.00 0.00 C +ATOM 41 CA ARG A 41 224.992 269.448 252.386 1.00 0.00 C +ATOM 42 CA ARG A 42 225.905 268.949 256.051 1.00 0.00 C +ATOM 43 CA ARG A 43 222.797 269.002 258.254 1.00 0.00 C +ATOM 44 CA SER A 44 219.468 268.501 256.470 1.00 0.00 C +ATOM 45 CA SER A 45 218.281 271.036 253.886 1.00 0.00 C +ATOM 46 CA GLY A 46 217.038 271.395 250.302 1.00 0.00 C +ATOM 47 CA GLY A 47 218.573 271.862 246.846 1.00 0.00 C +ATOM 48 CA GLN A 48 221.519 269.472 246.494 1.00 0.00 C +ATOM 49 CA TYR A 49 223.691 268.973 243.404 1.00 0.00 C +ATOM 50 CA ARG A 50 224.842 269.869 239.884 1.00 0.00 C +ATOM 51 CA ARG A 51 226.435 267.001 237.946 1.00 0.00 C +ATOM 52 CA ARG A 52 225.799 263.252 237.706 1.00 0.00 C +ATOM 53 CA SER A 53 228.355 261.235 235.728 1.00 0.00 C +ATOM 54 CA THR A 54 230.004 257.810 235.471 1.00 0.00 C +ATOM 55 CA SER A 55 232.913 257.902 233.012 1.00 0.00 C +ATOM 56 CA ARG A 56 236.481 259.064 232.353 1.00 0.00 C +ATOM 57 CA ARG A 57 239.164 258.453 234.989 1.00 0.00 C +ATOM 58 CA ARG A 58 242.546 259.547 236.359 1.00 0.00 C +ATOM 59 CA SER A 59 245.111 260.780 238.892 1.00 0.00 C +ATOM 60 CA SER A 60 247.265 263.690 240.079 1.00 0.00 C +ATOM 61 CA GLY A 61 248.359 267.283 239.439 1.00 0.00 C +ATOM 62 CA GLY A 62 252.005 267.043 238.359 1.00 0.00 C +ATOM 63 CA ARG A 63 253.322 263.922 236.615 1.00 0.00 C +ATOM 64 CA ARG A 64 256.707 264.211 234.889 1.00 0.00 C +ATOM 65 CA ARG A 65 259.828 265.581 236.592 1.00 0.00 C +ATOM 66 CA ARG A 66 260.543 268.132 239.330 1.00 0.00 C +ATOM 67 CA PRO A 67 260.004 267.904 243.095 1.00 0.00 C +ATOM 68 CA GLY A 68 260.175 267.595 246.888 1.00 0.00 C +ATOM 69 CA ARG A 69 262.451 268.830 249.683 1.00 0.00 C +ATOM 70 CA PRO A 70 264.825 270.462 252.176 1.00 0.00 C +ATOM 71 CA ARG A 71 265.923 267.672 254.527 1.00 0.00 C +ATOM 72 CA GLY A 72 267.536 266.673 257.830 1.00 0.00 C +ATOM 73 CA ARG A 73 270.024 267.177 260.671 1.00 0.00 C +ATOM 74 CA ARG A 74 268.647 265.627 263.868 1.00 0.00 C +ATOM 75 CA SER A 75 265.079 264.300 264.029 1.00 0.00 C +ATOM 76 CA SER A 76 262.953 261.665 265.776 1.00 0.00 C +ATOM 77 CA SER A 77 263.838 258.050 264.960 1.00 0.00 C +ATOM 78 CA GLY A 78 265.675 254.983 266.276 1.00 0.00 C +ATOM 79 CA SER A 79 269.406 254.238 266.069 1.00 0.00 C +ATOM 80 CA ARG A 80 272.402 254.493 268.408 1.00 0.00 C +ATOM 81 CA ASN A 81 274.129 251.311 269.593 1.00 0.00 C +ATOM 82 CA PRO A 82 275.565 250.196 272.941 1.00 0.00 C +ATOM 83 CA TYR A 83 277.457 246.979 273.708 1.00 0.00 C +ATOM 84 CA GLY A 84 280.911 245.414 273.337 1.00 0.00 C +ATOM 85 CA TYR A 85 282.786 247.671 270.907 1.00 0.00 C +ATOM 86 CA SER A 86 284.204 247.627 267.371 1.00 0.00 C +ATOM 87 CA ARG A 87 286.679 246.080 264.922 1.00 0.00 C +ATOM 88 CA ARG A 88 286.028 242.589 263.542 1.00 0.00 C +ATOM 89 CA ARG A 89 285.304 239.680 261.191 1.00 0.00 C +ATOM 90 CA TYR A 90 283.507 236.453 262.125 1.00 0.00 C +TER 91 TYR A 90 +END diff --git a/Viruses/Q4PKB7/Q4PKB7.dcd b/Viruses/Q4PKB7/Q4PKB7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e68fa31d114b020353631685eca62c48cd36b1de --- /dev/null +++ b/Viruses/Q4PKB7/Q4PKB7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:420b0d0e0adc510940e858cb9779f2fa09e0eed245918bc25a1cb753a00bd73d +size 10040276 diff --git a/Viruses/Q4PKB7/top.pdb b/Viruses/Q4PKB7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d00963337186dc5bbd0003cf9adb1f9b3e72ed5d --- /dev/null +++ b/Viruses/Q4PKB7/top.pdb @@ -0,0 +1,81 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ALA A 1 253.835 285.189 244.517 1.00 0.00 C +ATOM 2 CA VAL A 2 250.184 284.765 243.511 1.00 0.00 C +ATOM 3 CA ASP A 3 246.385 284.513 243.651 1.00 0.00 C +ATOM 4 CA ALA A 4 245.245 280.922 243.083 1.00 0.00 C +ATOM 5 CA GLY A 5 245.965 277.629 244.858 1.00 0.00 C +ATOM 6 CA LEU A 6 247.915 277.253 248.110 1.00 0.00 C +ATOM 7 CA ASN A 7 248.431 278.162 251.773 1.00 0.00 C +ATOM 8 CA ASP A 8 245.974 276.040 253.767 1.00 0.00 C +ATOM 9 CA LYS A 9 245.403 276.459 257.511 1.00 0.00 C +ATOM 10 CA LEU A 10 243.362 277.457 260.569 1.00 0.00 C +ATOM 11 CA LYS A 11 241.242 280.519 261.372 1.00 0.00 C +ATOM 12 CA GLU A 12 237.623 281.713 261.365 1.00 0.00 C +ATOM 13 CA LYS A 13 235.341 279.883 263.807 1.00 0.00 C +ATOM 14 CA GLU A 14 233.028 281.259 266.503 1.00 0.00 C +ATOM 15 CA LYS A 15 229.534 282.741 266.167 1.00 0.00 C +ATOM 16 CA ASP A 16 226.929 281.239 263.827 1.00 0.00 C +ATOM 17 CA LYS A 17 227.310 277.762 262.317 1.00 0.00 C +ATOM 18 CA ASP A 18 225.889 274.593 260.750 1.00 0.00 C +ATOM 19 CA LYS A 19 227.468 271.829 258.656 1.00 0.00 C +ATOM 20 CA GLU A 20 228.730 273.559 255.505 1.00 0.00 C +ATOM 21 CA ARG A 21 230.680 275.731 253.056 1.00 0.00 C +ATOM 22 CA GLU A 22 233.312 278.484 253.148 1.00 0.00 C +ATOM 23 CA LYS A 23 235.593 279.259 250.196 1.00 0.00 C +ATOM 24 CA ASP A 24 236.527 276.876 247.374 1.00 0.00 C +ATOM 25 CA LYS A 25 234.307 276.518 244.298 1.00 0.00 C +ATOM 26 CA LYS A 26 232.134 277.176 241.238 1.00 0.00 C +ATOM 27 CA ASP A 27 230.415 274.791 238.814 1.00 0.00 C +ATOM 28 CA LYS A 28 231.477 271.166 239.311 1.00 0.00 C +ATOM 29 CA LYS A 29 230.142 267.602 239.490 1.00 0.00 C +ATOM 30 CA ASP A 30 230.909 264.752 241.899 1.00 0.00 C +ATOM 31 CA ALA A 31 233.410 262.221 243.263 1.00 0.00 C +ATOM 32 CA SER A 32 236.911 263.714 243.438 1.00 0.00 C +ATOM 33 CA ASP A 33 239.049 264.495 246.492 1.00 0.00 C +ATOM 34 CA GLY A 34 239.335 263.582 250.180 1.00 0.00 C +ATOM 35 CA GLY A 35 241.192 260.354 250.983 1.00 0.00 C +ATOM 36 CA ASN A 36 240.933 258.582 254.346 1.00 0.00 C +ATOM 37 CA GLU A 37 242.895 255.651 255.787 1.00 0.00 C +ATOM 38 CA SER A 38 242.315 251.983 256.639 1.00 0.00 C +ATOM 39 CA THR A 39 244.488 250.555 259.423 1.00 0.00 C +ATOM 40 CA SER A 40 248.147 249.626 259.941 1.00 0.00 C +ATOM 41 CA THR A 41 250.572 246.696 259.722 1.00 0.00 C +ATOM 42 CA ARG A 42 253.146 244.591 261.583 1.00 0.00 C +ATOM 43 CA ASN A 43 254.738 241.130 261.554 1.00 0.00 C +ATOM 44 CA GLY A 44 257.084 240.221 258.692 1.00 0.00 C +ATOM 45 CA GLU A 45 257.100 241.482 255.097 1.00 0.00 C +ATOM 46 CA ARG A 46 259.957 241.696 252.585 1.00 0.00 C +ATOM 47 CA ASP A 47 262.000 244.774 253.518 1.00 0.00 C +ATOM 48 CA ARG A 48 265.619 243.819 252.805 1.00 0.00 C +ATOM 49 CA ASP A 49 267.107 240.995 254.885 1.00 0.00 C +ATOM 50 CA VAL A 50 268.835 240.546 258.251 1.00 0.00 C +ATOM 51 CA ASN A 51 270.271 237.021 258.090 1.00 0.00 C +ATOM 52 CA ALA A 52 269.463 234.676 255.198 1.00 0.00 C +ATOM 53 CA GLY A 53 269.854 231.683 252.873 1.00 0.00 C +ATOM 54 CA THR A 54 270.567 230.165 249.452 1.00 0.00 C +ATOM 55 CA SER A 55 268.251 230.655 246.467 1.00 0.00 C +ATOM 56 CA GLY A 56 267.876 234.356 245.644 1.00 0.00 C +ATOM 57 CA THR A 57 265.719 235.811 242.861 1.00 0.00 C +ATOM 58 CA PHE A 58 262.858 238.311 242.576 1.00 0.00 C +ATOM 59 CA THR A 59 259.082 237.802 242.549 1.00 0.00 C +ATOM 60 CA VAL A 60 257.351 234.476 241.873 1.00 0.00 C +ATOM 61 CA PRO A 61 255.890 230.959 241.768 1.00 0.00 C +ATOM 62 CA ARG A 62 257.835 227.686 241.625 1.00 0.00 C +ATOM 63 CA ILE A 63 256.777 224.313 243.046 1.00 0.00 C +ATOM 64 CA LYS A 64 258.462 221.735 240.804 1.00 0.00 C +ATOM 65 CA SER A 65 257.886 218.392 242.540 1.00 0.00 C +ATOM 66 CA PHE A 66 260.672 216.762 244.563 1.00 0.00 C +ATOM 67 CA THR A 67 264.238 215.599 243.899 1.00 0.00 C +ATOM 68 CA ASP A 68 264.524 211.802 243.774 1.00 0.00 C +ATOM 69 CA LYS A 69 265.943 208.276 243.500 1.00 0.00 C +ATOM 70 CA MET A 70 267.024 205.767 246.156 1.00 0.00 C +ATOM 71 CA ILE A 71 268.043 202.312 244.914 1.00 0.00 C +ATOM 72 CA LEU A 72 270.720 201.830 242.246 1.00 0.00 C +ATOM 73 CA PRO A 73 270.603 198.238 240.981 1.00 0.00 C +ATOM 74 CA ARG A 74 267.896 196.583 243.092 1.00 0.00 C +ATOM 75 CA ILE A 75 264.286 197.648 242.501 1.00 0.00 C +ATOM 76 CA LYS A 76 261.226 196.663 240.456 1.00 0.00 C +ATOM 77 CA GLY A 77 260.559 197.923 236.923 1.00 0.00 C +TER 78 GLY A 77 +END diff --git a/Viruses/Q4PRW0/Q4PRW0.dcd b/Viruses/Q4PRW0/Q4PRW0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..63e91cbff466529fb5ab0ec2d02c63000897e30f --- /dev/null +++ b/Viruses/Q4PRW0/Q4PRW0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6116ac5eb165076c38c28af97ec625f0041592a2d2dfe8fe7c18ca4d30528e8d +size 4880276 diff --git a/Viruses/Q4PRW0/top.pdb b/Viruses/Q4PRW0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1d9d6ef13f575e4ace3bd0219d59c1ba29e13108 --- /dev/null +++ b/Viruses/Q4PRW0/top.pdb @@ -0,0 +1,38 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA CYS A 1 240.176 249.093 245.545 1.00 0.00 C +ATOM 2 CA THR A 2 240.688 252.830 246.079 1.00 0.00 C +ATOM 3 CA ARG A 3 242.797 254.749 243.552 1.00 0.00 C +ATOM 4 CA PRO A 4 244.369 252.138 241.265 1.00 0.00 C +ATOM 5 CA ASN A 5 241.914 251.776 238.374 1.00 0.00 C +ATOM 6 CA ASN A 6 242.381 248.241 237.030 1.00 0.00 C +ATOM 7 CA ASN A 7 245.394 246.050 236.234 1.00 0.00 C +ATOM 8 CA THR A 8 248.533 247.418 237.905 1.00 0.00 C +ATOM 9 CA ARG A 9 249.658 251.007 238.511 1.00 0.00 C +ATOM 10 CA LYS A 10 252.378 252.770 240.514 1.00 0.00 C +ATOM 11 CA SER A 11 256.019 253.378 241.457 1.00 0.00 C +ATOM 12 CA ILE A 12 259.802 253.778 241.668 1.00 0.00 C +ATOM 13 CA GLN A 13 260.769 257.330 242.651 1.00 0.00 C +ATOM 14 CA LEU A 14 261.013 261.025 241.758 1.00 0.00 C +ATOM 15 CA GLY A 15 258.449 263.805 241.289 1.00 0.00 C +ATOM 16 CA PRO A 16 254.653 263.491 241.325 1.00 0.00 C +ATOM 17 CA GLY A 17 252.908 260.187 242.072 1.00 0.00 C +ATOM 18 CA HIS A 18 251.436 258.940 245.358 1.00 0.00 C +ATOM 19 CA SER A 19 251.222 259.548 249.113 1.00 0.00 C +ATOM 20 CA PHE A 20 249.562 259.320 252.535 1.00 0.00 C +ATOM 21 CA HIS A 21 248.237 256.220 254.310 1.00 0.00 C +ATOM 22 CA THR A 22 249.512 253.246 256.322 1.00 0.00 C +ATOM 23 CA THR A 23 252.852 252.326 257.908 1.00 0.00 C +ATOM 24 CA GLY A 24 254.880 250.589 260.625 1.00 0.00 C +ATOM 25 CA LYS A 25 253.274 247.811 262.680 1.00 0.00 C +ATOM 26 CA ILE A 26 249.985 246.936 260.968 1.00 0.00 C +ATOM 27 CA ILE A 27 249.224 243.807 258.931 1.00 0.00 C +ATOM 28 CA GLY A 28 248.415 240.361 257.523 1.00 0.00 C +ATOM 29 CA ASP A 29 249.750 236.860 258.212 1.00 0.00 C +ATOM 30 CA ILE A 30 247.188 234.448 259.672 1.00 0.00 C +ATOM 31 CA ARG A 31 246.366 233.762 263.329 1.00 0.00 C +ATOM 32 CA LYS A 32 249.277 235.061 265.416 1.00 0.00 C +ATOM 33 CA ALA A 33 249.213 234.288 269.147 1.00 0.00 C +ATOM 34 CA HIS A 34 247.704 237.412 270.722 1.00 0.00 C +TER 35 HIS A 34 +END diff --git a/Viruses/Q4QTS8/Q4QTS8.dcd b/Viruses/Q4QTS8/Q4QTS8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..55302253b1c6f1e13da603db73aab12de1cf40bc --- /dev/null +++ b/Viruses/Q4QTS8/Q4QTS8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2d3a703958411348f4d918dc1ce7440797b9808b3ed6d120541a515ca80c31bb +size 4520276 diff --git a/Viruses/Q4QTS8/top.pdb b/Viruses/Q4QTS8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..6068932888857269ade7a64cc943ecc61bb9d36e --- /dev/null +++ b/Viruses/Q4QTS8/top.pdb @@ -0,0 +1,35 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLU A 1 241.608 235.608 240.582 1.00 0.00 C +ATOM 2 CA ASP A 2 243.374 238.687 241.967 1.00 0.00 C +ATOM 3 CA SER A 3 246.487 240.577 243.086 1.00 0.00 C +ATOM 4 CA GLY A 4 247.330 244.244 242.488 1.00 0.00 C +ATOM 5 CA ASN A 5 246.710 245.393 238.908 1.00 0.00 C +ATOM 6 CA GLU A 6 244.085 247.878 237.704 1.00 0.00 C +ATOM 7 CA SER A 7 242.714 250.724 235.575 1.00 0.00 C +ATOM 8 CA ASP A 8 239.027 250.888 236.521 1.00 0.00 C +ATOM 9 CA GLY A 9 238.394 248.820 239.658 1.00 0.00 C +ATOM 10 CA ASP A 10 238.300 249.874 243.318 1.00 0.00 C +ATOM 11 CA THR A 11 236.717 250.442 246.737 1.00 0.00 C +ATOM 12 CA GLU A 12 235.528 253.768 248.164 1.00 0.00 C +ATOM 13 CA GLU A 13 237.971 256.635 248.736 1.00 0.00 C +ATOM 14 CA LEU A 14 239.286 257.617 252.174 1.00 0.00 C +ATOM 15 CA SER A 15 241.049 259.458 255.006 1.00 0.00 C +ATOM 16 CA THR A 16 241.805 257.332 258.076 1.00 0.00 C +ATOM 17 CA MET A 17 245.571 256.758 258.159 1.00 0.00 C +ATOM 18 CA VAL A 18 247.165 255.478 261.373 1.00 0.00 C +ATOM 19 CA ASP A 19 250.351 253.624 260.409 1.00 0.00 C +ATOM 20 CA MET A 20 253.007 251.319 261.876 1.00 0.00 C +ATOM 21 CA GLY A 21 256.583 250.058 262.240 1.00 0.00 C +ATOM 22 CA HIS A 22 259.621 252.353 262.092 1.00 0.00 C +ATOM 23 CA LEU A 23 258.590 255.105 259.667 1.00 0.00 C +ATOM 24 CA ARG A 24 260.713 254.676 256.532 1.00 0.00 C +ATOM 25 CA PRO A 25 264.035 253.009 257.366 1.00 0.00 C +ATOM 26 CA LEU A 26 264.093 249.791 255.328 1.00 0.00 C +ATOM 27 CA ASP A 27 267.202 248.284 253.722 1.00 0.00 C +ATOM 28 CA VAL A 28 268.101 244.924 252.167 1.00 0.00 C +ATOM 29 CA ASN A 29 265.180 244.100 249.863 1.00 0.00 C +ATOM 30 CA ASP A 30 265.852 245.155 246.265 1.00 0.00 C +ATOM 31 CA LEU A 31 263.551 247.420 244.241 1.00 0.00 C +TER 32 LEU A 31 +END diff --git a/Viruses/Q4QVU0/Q4QVU0.dcd b/Viruses/Q4QVU0/Q4QVU0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..cd1f7150c00eebf263b51e48f019c17169380189 --- /dev/null +++ b/Viruses/Q4QVU0/Q4QVU0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bb16653a91faefddea987cdb18ed88cf3979130be295569e4bc1c3aa0b3da9f0 +size 6560276 diff --git a/Viruses/Q4QVU0/top.pdb b/Viruses/Q4QVU0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..feee7acf3088287d9082d6b724b71ba09902637f --- /dev/null +++ b/Viruses/Q4QVU0/top.pdb @@ -0,0 +1,52 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 220.464 242.847 249.357 1.00 0.00 C +ATOM 2 CA GLY A 2 219.211 242.263 252.907 1.00 0.00 C +ATOM 3 CA GLY A 3 220.750 243.611 256.121 1.00 0.00 C +ATOM 4 CA LYS A 4 221.781 247.093 257.275 1.00 0.00 C +ATOM 5 CA TRP A 5 219.619 249.904 258.667 1.00 0.00 C +ATOM 6 CA SER A 6 219.568 249.292 262.427 1.00 0.00 C +ATOM 7 CA LYS A 7 219.612 246.840 265.343 1.00 0.00 C +ATOM 8 CA SER A 8 223.267 245.984 265.997 1.00 0.00 C +ATOM 9 CA SER A 9 224.501 243.313 263.576 1.00 0.00 C +ATOM 10 CA ILE A 10 226.872 242.163 260.824 1.00 0.00 C +ATOM 11 CA VAL A 11 230.424 242.785 259.595 1.00 0.00 C +ATOM 12 CA GLY A 12 232.820 245.747 259.539 1.00 0.00 C +ATOM 13 CA TRP A 13 233.184 248.054 256.528 1.00 0.00 C +ATOM 14 CA PRO A 14 235.209 250.562 254.497 1.00 0.00 C +ATOM 15 CA GLU A 15 237.788 249.462 251.918 1.00 0.00 C +ATOM 16 CA ILE A 16 240.108 251.973 250.236 1.00 0.00 C +ATOM 17 CA ARG A 17 242.374 255.003 250.685 1.00 0.00 C +ATOM 18 CA GLU A 18 243.858 258.393 249.780 1.00 0.00 C +ATOM 19 CA ARG A 19 245.505 261.572 251.082 1.00 0.00 C +ATOM 20 CA ARG A 20 242.767 264.111 251.838 1.00 0.00 C +ATOM 21 CA ARG A 21 240.872 264.538 255.116 1.00 0.00 C +ATOM 22 CA GLN A 22 243.433 264.230 257.919 1.00 0.00 C +ATOM 23 CA ALA A 23 246.013 262.490 260.118 1.00 0.00 C +ATOM 24 CA PRO A 24 249.442 263.352 258.700 1.00 0.00 C +ATOM 25 CA PRO A 25 252.648 262.392 260.520 1.00 0.00 C +ATOM 26 CA ALA A 26 255.160 260.842 258.112 1.00 0.00 C +ATOM 27 CA ALA A 27 258.656 259.471 258.760 1.00 0.00 C +ATOM 28 CA PRO A 28 259.191 255.996 257.292 1.00 0.00 C +ATOM 29 CA GLY A 29 258.287 252.772 255.474 1.00 0.00 C +ATOM 30 CA VAL A 30 259.782 252.471 251.983 1.00 0.00 C +ATOM 31 CA GLY A 31 263.341 253.709 251.422 1.00 0.00 C +ATOM 32 CA ALA A 32 266.460 254.244 249.300 1.00 0.00 C +ATOM 33 CA VAL A 33 269.003 254.419 246.468 1.00 0.00 C +ATOM 34 CA SER A 34 271.868 256.585 245.196 1.00 0.00 C +ATOM 35 CA ARG A 35 272.781 258.899 242.310 1.00 0.00 C +ATOM 36 CA ASP A 36 270.552 258.090 239.328 1.00 0.00 C +ATOM 37 CA LEU A 37 268.039 255.682 237.780 1.00 0.00 C +ATOM 38 CA ASP A 38 266.227 252.724 236.204 1.00 0.00 C +ATOM 39 CA LYS A 39 265.504 248.983 236.170 1.00 0.00 C +ATOM 40 CA HIS A 40 265.533 245.311 235.155 1.00 0.00 C +ATOM 41 CA GLY A 41 266.949 241.843 235.852 1.00 0.00 C +ATOM 42 CA ALA A 42 270.274 240.276 234.851 1.00 0.00 C +ATOM 43 CA ILE A 43 271.477 238.581 231.658 1.00 0.00 C +ATOM 44 CA THR A 44 274.183 235.900 231.759 1.00 0.00 C +ATOM 45 CA SER A 45 275.963 232.560 231.321 1.00 0.00 C +ATOM 46 CA SER A 46 277.731 231.681 234.579 1.00 0.00 C +ATOM 47 CA ASN A 47 279.438 230.220 237.656 1.00 0.00 C +ATOM 48 CA ILE A 48 281.511 230.773 240.805 1.00 0.00 C +TER 49 ILE A 48 +END diff --git a/Viruses/Q4QW70/Q4QW70.dcd b/Viruses/Q4QW70/Q4QW70.dcd new file mode 100644 index 0000000000000000000000000000000000000000..25221704b5446d07940f81700e622cd4134ca24b --- /dev/null +++ b/Viruses/Q4QW70/Q4QW70.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b81688dcd5419073c2d0bfe02de6e9fd15b0bdb709caae4f0fcc122f6c3c5fa8 +size 6200276 diff --git a/Viruses/Q4QW70/top.pdb b/Viruses/Q4QW70/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..bb1a643db54337a51a553cef7f9d1a7b099bda47 --- /dev/null +++ b/Viruses/Q4QW70/top.pdb @@ -0,0 +1,49 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA PHE A 1 239.202 243.980 258.658 1.00 0.00 C +ATOM 2 CA PHE A 2 235.672 245.412 258.569 1.00 0.00 C +ATOM 3 CA ARG A 3 233.223 246.391 255.819 1.00 0.00 C +ATOM 4 CA GLU A 4 234.448 247.062 252.274 1.00 0.00 C +ATOM 5 CA ASN A 5 237.229 245.232 250.421 1.00 0.00 C +ATOM 6 CA LEU A 6 239.740 242.634 251.630 1.00 0.00 C +ATOM 7 CA ALA A 7 241.833 240.049 249.772 1.00 0.00 C +ATOM 8 CA PHE A 8 244.967 238.424 251.205 1.00 0.00 C +ATOM 9 CA GLN A 9 245.308 236.008 254.131 1.00 0.00 C +ATOM 10 CA GLN A 10 243.777 233.243 256.259 1.00 0.00 C +ATOM 11 CA ARG A 11 245.711 231.283 258.892 1.00 0.00 C +ATOM 12 CA GLU A 12 247.815 232.806 261.679 1.00 0.00 C +ATOM 13 CA ALA A 13 250.160 234.377 264.238 1.00 0.00 C +ATOM 14 CA ARG A 14 249.112 237.956 265.015 1.00 0.00 C +ATOM 15 CA GLU A 15 246.742 240.395 263.297 1.00 0.00 C +ATOM 16 CA PHE A 16 245.737 239.588 259.711 1.00 0.00 C +ATOM 17 CA SER A 17 245.329 242.802 257.707 1.00 0.00 C +ATOM 18 CA SER A 18 245.928 246.560 257.517 1.00 0.00 C +ATOM 19 CA GLU A 19 247.240 247.693 254.125 1.00 0.00 C +ATOM 20 CA GLU A 20 244.657 246.929 251.430 1.00 0.00 C +ATOM 21 CA THR A 21 243.860 245.455 248.009 1.00 0.00 C +ATOM 22 CA GLY A 22 242.632 248.086 245.542 1.00 0.00 C +ATOM 23 CA ALA A 23 243.694 251.165 243.565 1.00 0.00 C +ATOM 24 CA ASN A 24 247.351 252.133 243.115 1.00 0.00 C +ATOM 25 CA SER A 25 248.970 252.046 239.667 1.00 0.00 C +ATOM 26 CA PRO A 26 252.425 251.504 238.157 1.00 0.00 C +ATOM 27 CA THR A 27 255.715 252.260 236.390 1.00 0.00 C +ATOM 28 CA SER A 28 256.531 255.980 236.257 1.00 0.00 C +ATOM 29 CA ARG A 29 258.526 257.183 239.272 1.00 0.00 C +ATOM 30 CA ASP A 30 257.875 255.719 242.728 1.00 0.00 C +ATOM 31 CA LEU A 31 255.286 257.003 245.211 1.00 0.00 C +ATOM 32 CA TRP A 32 253.933 260.318 246.514 1.00 0.00 C +ATOM 33 CA ASP A 33 253.473 263.948 245.453 1.00 0.00 C +ATOM 34 CA GLU A 34 256.281 264.585 242.958 1.00 0.00 C +ATOM 35 CA GLY A 35 257.706 268.085 243.444 1.00 0.00 C +ATOM 36 CA ARG A 36 259.367 270.754 245.597 1.00 0.00 C +ATOM 37 CA ASN A 37 261.925 269.972 248.309 1.00 0.00 C +ATOM 38 CA SER A 38 263.232 266.448 247.687 1.00 0.00 C +ATOM 39 CA LEU A 39 261.657 263.331 246.164 1.00 0.00 C +ATOM 40 CA PRO A 40 261.455 259.570 246.740 1.00 0.00 C +ATOM 41 CA SER A 41 264.157 257.034 247.624 1.00 0.00 C +ATOM 42 CA GLU A 42 262.886 253.751 249.081 1.00 0.00 C +ATOM 43 CA ALA A 43 259.233 252.670 249.026 1.00 0.00 C +ATOM 44 CA GLY A 44 255.620 251.778 249.844 1.00 0.00 C +ATOM 45 CA ALA A 45 252.381 250.398 251.298 1.00 0.00 C +TER 46 ALA A 45 +END diff --git a/Viruses/Q4QW80/Q4QW80.dcd b/Viruses/Q4QW80/Q4QW80.dcd new file mode 100644 index 0000000000000000000000000000000000000000..67abc76ed312e789d76cb76788aaa40a5d281b01 --- /dev/null +++ b/Viruses/Q4QW80/Q4QW80.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4861489d2767089d7474ecbdedb776f081e1cd3f9ee2c34c272b5be6f730b136 +size 6200276 diff --git a/Viruses/Q4QW80/top.pdb b/Viruses/Q4QW80/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..eaab004d199bae3cf2b6acf45b789614494f647a --- /dev/null +++ b/Viruses/Q4QW80/top.pdb @@ -0,0 +1,49 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA PHE A 1 256.388 289.638 267.121 1.00 0.00 C +ATOM 2 CA PHE A 2 258.352 286.460 267.869 1.00 0.00 C +ATOM 3 CA ARG A 3 258.675 284.832 271.298 1.00 0.00 C +ATOM 4 CA GLU A 4 257.472 281.219 271.405 1.00 0.00 C +ATOM 5 CA ASN A 5 258.588 278.969 274.270 1.00 0.00 C +ATOM 6 CA LEU A 6 258.718 275.298 273.257 1.00 0.00 C +ATOM 7 CA ALA A 7 259.538 271.649 272.528 1.00 0.00 C +ATOM 8 CA PHE A 8 261.666 270.023 269.818 1.00 0.00 C +ATOM 9 CA GLN A 9 259.672 267.934 267.334 1.00 0.00 C +ATOM 10 CA GLN A 10 257.098 267.947 264.525 1.00 0.00 C +ATOM 11 CA GLY A 11 257.476 269.379 261.014 1.00 0.00 C +ATOM 12 CA GLU A 12 259.013 271.899 258.606 1.00 0.00 C +ATOM 13 CA ALA A 13 262.385 270.460 257.569 1.00 0.00 C +ATOM 14 CA ARG A 14 262.808 267.020 259.151 1.00 0.00 C +ATOM 15 CA LYS A 15 261.564 263.545 258.208 1.00 0.00 C +ATOM 16 CA PHE A 16 260.265 260.189 259.458 1.00 0.00 C +ATOM 17 CA SER A 17 257.180 258.072 258.735 1.00 0.00 C +ATOM 18 CA SER A 18 256.546 254.514 257.528 1.00 0.00 C +ATOM 19 CA GLU A 19 253.871 252.576 255.631 1.00 0.00 C +ATOM 20 CA LYS A 20 250.970 255.015 255.234 1.00 0.00 C +ATOM 21 CA THR A 21 247.686 255.225 257.153 1.00 0.00 C +ATOM 22 CA GLY A 22 244.414 254.904 255.227 1.00 0.00 C +ATOM 23 CA ALA A 23 244.913 253.295 251.810 1.00 0.00 C +ATOM 24 CA ASN A 24 246.495 249.831 251.683 1.00 0.00 C +ATOM 25 CA SER A 25 244.531 247.453 249.446 1.00 0.00 C +ATOM 26 CA PRO A 26 242.971 244.511 247.596 1.00 0.00 C +ATOM 27 CA THR A 27 243.070 241.858 244.863 1.00 0.00 C +ATOM 28 CA SER A 28 244.272 238.652 246.533 1.00 0.00 C +ATOM 29 CA ARG A 29 243.687 235.238 244.945 1.00 0.00 C +ATOM 30 CA ASN A 30 244.805 234.456 241.388 1.00 0.00 C +ATOM 31 CA LEU A 31 244.347 236.143 238.003 1.00 0.00 C +ATOM 32 CA TRP A 32 241.713 234.574 235.741 1.00 0.00 C +ATOM 33 CA ASP A 33 239.407 232.032 237.394 1.00 0.00 C +ATOM 34 CA GLU A 34 237.330 230.081 234.865 1.00 0.00 C +ATOM 35 CA GLY A 35 235.224 232.449 232.748 1.00 0.00 C +ATOM 36 CA ARG A 36 235.498 232.494 228.948 1.00 0.00 C +ATOM 37 CA ASP A 37 238.288 230.395 227.423 1.00 0.00 C +ATOM 38 CA SER A 38 242.022 230.364 228.181 1.00 0.00 C +ATOM 39 CA LEU A 39 245.504 228.929 227.602 1.00 0.00 C +ATOM 40 CA PRO A 40 246.101 226.253 230.247 1.00 0.00 C +ATOM 41 CA SER A 41 245.455 222.510 230.538 1.00 0.00 C +ATOM 42 CA GLU A 42 243.583 219.385 229.422 1.00 0.00 C +ATOM 43 CA ALA A 43 245.474 216.286 230.579 1.00 0.00 C +ATOM 44 CA GLY A 44 247.550 213.283 231.669 1.00 0.00 C +ATOM 45 CA ALA A 45 247.414 212.758 235.440 1.00 0.00 C +TER 46 ALA A 45 +END diff --git a/Viruses/Q4U2B4/Q4U2B4.dcd b/Viruses/Q4U2B4/Q4U2B4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..7ac1bec10b51c3e68933e581301eedc13c40615b --- /dev/null +++ b/Viruses/Q4U2B4/Q4U2B4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:06e18a889cef19987efc10fbc764521e6fc0466465adc4b16deb44fc1f0b50fb +size 5960276 diff --git a/Viruses/Q4U2B4/top.pdb b/Viruses/Q4U2B4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b7a1a5167fcc4f94b611f6d725caa488bd0591ca --- /dev/null +++ b/Viruses/Q4U2B4/top.pdb @@ -0,0 +1,47 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA CYS A 1 271.756 258.688 277.053 1.00 0.00 C +ATOM 2 CA ASN A 2 271.317 255.753 274.664 1.00 0.00 C +ATOM 3 CA LYS A 3 267.646 254.897 274.109 1.00 0.00 C +ATOM 4 CA SER A 4 264.814 255.243 271.583 1.00 0.00 C +ATOM 5 CA GLU A 5 263.366 251.757 271.067 1.00 0.00 C +ATOM 6 CA THR A 6 263.438 248.388 272.845 1.00 0.00 C +ATOM 7 CA ASP A 7 261.040 248.081 275.789 1.00 0.00 C +ATOM 8 CA LYS A 8 259.650 251.502 276.728 1.00 0.00 C +ATOM 9 CA TRP A 9 256.983 254.138 276.053 1.00 0.00 C +ATOM 10 CA GLY A 10 256.512 257.863 275.407 1.00 0.00 C +ATOM 11 CA LEU A 11 253.857 260.401 274.393 1.00 0.00 C +ATOM 12 CA THR A 12 251.036 260.628 271.843 1.00 0.00 C +ATOM 13 CA LYS A 13 247.598 261.926 270.835 1.00 0.00 C +ATOM 14 CA SER A 14 245.361 259.413 269.047 1.00 0.00 C +ATOM 15 CA SER A 15 244.334 259.946 265.417 1.00 0.00 C +ATOM 16 CA THR A 16 244.927 262.115 262.342 1.00 0.00 C +ATOM 17 CA THR A 17 243.382 265.578 261.972 1.00 0.00 C +ATOM 18 CA THR A 18 240.359 266.898 260.064 1.00 0.00 C +ATOM 19 CA THR A 19 239.975 265.700 256.467 1.00 0.00 C +ATOM 20 CA GLU A 20 240.136 261.924 255.988 1.00 0.00 C +ATOM 21 CA ALA A 21 240.113 260.481 252.462 1.00 0.00 C +ATOM 22 CA PRO A 22 239.251 259.227 248.969 1.00 0.00 C +ATOM 23 CA THR A 23 237.163 256.799 246.905 1.00 0.00 C +ATOM 24 CA PRO A 24 238.961 254.753 244.241 1.00 0.00 C +ATOM 25 CA VAL A 25 242.716 254.133 244.059 1.00 0.00 C +ATOM 26 CA SER A 26 245.626 253.299 241.745 1.00 0.00 C +ATOM 27 CA GLU A 27 247.043 249.938 240.644 1.00 0.00 C +ATOM 28 CA LYS A 28 248.688 246.650 239.644 1.00 0.00 C +ATOM 29 CA ILE A 29 249.127 242.890 239.210 1.00 0.00 C +ATOM 30 CA ASP A 30 248.124 239.854 237.138 1.00 0.00 C +ATOM 31 CA MET A 31 249.041 236.160 237.299 1.00 0.00 C +ATOM 32 CA VAL A 32 251.483 233.452 236.193 1.00 0.00 C +ATOM 33 CA SER A 33 251.772 230.957 233.329 1.00 0.00 C +ATOM 34 CA GLU A 34 249.254 231.355 230.498 1.00 0.00 C +ATOM 35 CA ASN A 35 245.477 231.265 230.010 1.00 0.00 C +ATOM 36 CA SER A 36 244.074 232.645 226.747 1.00 0.00 C +ATOM 37 CA SER A 37 244.307 234.063 223.219 1.00 0.00 C +ATOM 38 CA CYS A 38 246.595 233.338 220.260 1.00 0.00 C +ATOM 39 CA ILE A 39 247.985 236.077 218.006 1.00 0.00 C +ATOM 40 CA THR A 40 247.495 237.902 214.698 1.00 0.00 C +ATOM 41 CA HIS A 41 248.046 241.568 215.574 1.00 0.00 C +ATOM 42 CA ASP A 42 248.928 245.110 216.669 1.00 0.00 C +ATOM 43 CA ASN A 43 251.242 247.244 218.815 1.00 0.00 C +TER 44 ASN A 43 +END diff --git a/Viruses/Q4W600/Q4W600.dcd b/Viruses/Q4W600/Q4W600.dcd new file mode 100644 index 0000000000000000000000000000000000000000..adbd0694bf41cc89bb3dda0f1f05a4291a43db48 --- /dev/null +++ b/Viruses/Q4W600/Q4W600.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6f3e2a0a3bb17d97bfa1cea668dcf2d4861a194d351589e74478bc311b3f16af +size 20480276 diff --git a/Viruses/Q4W600/top.pdb b/Viruses/Q4W600/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9deab8dcfa3978745b268f7d365d2491acfaec1b --- /dev/null +++ b/Viruses/Q4W600/top.pdb @@ -0,0 +1,168 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 174.789 237.532 291.114 1.00 0.00 C +ATOM 2 CA GLY A 2 175.716 236.610 294.692 1.00 0.00 C +ATOM 3 CA GLY A 3 178.417 233.925 294.803 1.00 0.00 C +ATOM 4 CA TRP A 4 179.442 230.872 292.767 1.00 0.00 C +ATOM 5 CA SER A 5 182.770 230.940 290.914 1.00 0.00 C +ATOM 6 CA SER A 6 182.600 228.606 287.907 1.00 0.00 C +ATOM 7 CA LYS A 7 181.876 225.175 286.417 1.00 0.00 C +ATOM 8 CA PRO A 8 184.522 222.909 287.960 1.00 0.00 C +ATOM 9 CA ARG A 9 187.820 224.795 287.675 1.00 0.00 C +ATOM 10 CA GLN A 10 190.978 224.595 289.797 1.00 0.00 C +ATOM 11 CA GLY A 11 194.256 223.876 291.602 1.00 0.00 C +ATOM 12 CA MET A 12 197.192 222.108 289.938 1.00 0.00 C +ATOM 13 CA GLY A 13 200.937 222.239 290.628 1.00 0.00 C +ATOM 14 CA THR A 14 204.175 220.509 289.609 1.00 0.00 C +ATOM 15 CA ASN A 15 207.578 221.684 290.855 1.00 0.00 C +ATOM 16 CA LEU A 16 210.535 223.775 292.041 1.00 0.00 C +ATOM 17 CA SER A 17 211.024 225.907 295.161 1.00 0.00 C +ATOM 18 CA VAL A 18 211.078 227.453 298.642 1.00 0.00 C +ATOM 19 CA PRO A 19 209.183 229.402 301.312 1.00 0.00 C +ATOM 20 CA ASN A 20 205.671 227.944 301.553 1.00 0.00 C +ATOM 21 CA PRO A 21 203.096 227.063 298.887 1.00 0.00 C +ATOM 22 CA LEU A 22 202.526 223.649 297.295 1.00 0.00 C +ATOM 23 CA GLY A 23 204.509 221.090 299.304 1.00 0.00 C +ATOM 24 CA PHE A 24 208.121 222.235 299.709 1.00 0.00 C +ATOM 25 CA PHE A 25 210.114 219.866 301.930 1.00 0.00 C +ATOM 26 CA PRO A 26 211.948 216.790 303.229 1.00 0.00 C +ATOM 27 CA SER A 27 214.134 214.496 301.113 1.00 0.00 C +ATOM 28 CA HIS A 28 217.703 215.464 302.034 1.00 0.00 C +ATOM 29 CA GLN A 29 218.684 215.504 305.715 1.00 0.00 C +ATOM 30 CA LEU A 30 220.248 217.271 308.706 1.00 0.00 C +ATOM 31 CA ASP A 31 219.585 219.032 312.019 1.00 0.00 C +ATOM 32 CA PRO A 32 220.747 219.424 315.626 1.00 0.00 C +ATOM 33 CA ALA A 33 224.249 219.100 317.091 1.00 0.00 C +ATOM 34 CA PHE A 34 225.365 215.899 318.830 1.00 0.00 C +ATOM 35 CA ARG A 35 226.252 214.768 322.359 1.00 0.00 C +ATOM 36 CA ALA A 36 226.523 217.679 324.803 1.00 0.00 C +ATOM 37 CA ASN A 37 228.679 220.790 324.366 1.00 0.00 C +ATOM 38 CA SER A 38 230.684 223.267 322.277 1.00 0.00 C +ATOM 39 CA ASN A 39 228.994 226.471 321.098 1.00 0.00 C +ATOM 40 CA ASN A 40 229.826 226.823 317.397 1.00 0.00 C +ATOM 41 CA PRO A 41 228.824 225.050 314.177 1.00 0.00 C +ATOM 42 CA ASP A 42 228.771 227.556 311.308 1.00 0.00 C +ATOM 43 CA TRP A 43 230.246 226.048 308.135 1.00 0.00 C +ATOM 44 CA ASP A 44 229.743 224.546 304.670 1.00 0.00 C +ATOM 45 CA PHE A 45 231.503 226.740 302.099 1.00 0.00 C +ATOM 46 CA ASN A 46 231.404 230.525 302.528 1.00 0.00 C +ATOM 47 CA PRO A 47 233.264 232.283 299.706 1.00 0.00 C +ATOM 48 CA ASN A 48 233.259 233.837 296.227 1.00 0.00 C +ATOM 49 CA LYS A 49 235.849 232.544 293.751 1.00 0.00 C +ATOM 50 CA ASP A 50 236.031 228.751 293.443 1.00 0.00 C +ATOM 51 CA GLN A 51 237.349 226.046 295.780 1.00 0.00 C +ATOM 52 CA TRP A 52 237.243 224.080 299.042 1.00 0.00 C +ATOM 53 CA PRO A 53 238.740 226.405 301.663 1.00 0.00 C +ATOM 54 CA ALA A 54 239.629 230.080 301.199 1.00 0.00 C +ATOM 55 CA ALA A 55 240.657 233.200 299.268 1.00 0.00 C +ATOM 56 CA ASN A 56 241.827 236.085 297.072 1.00 0.00 C +ATOM 57 CA GLN A 57 243.472 238.526 294.652 1.00 0.00 C +ATOM 58 CA VAL A 58 244.125 239.603 291.057 1.00 0.00 C +ATOM 59 CA GLY A 59 245.390 239.413 287.468 1.00 0.00 C +ATOM 60 CA VAL A 60 246.151 242.926 286.206 1.00 0.00 C +ATOM 61 CA GLY A 61 249.650 243.601 284.856 1.00 0.00 C +ATOM 62 CA SER A 62 252.430 241.611 283.176 1.00 0.00 C +ATOM 63 CA PHE A 63 256.029 242.862 283.182 1.00 0.00 C +ATOM 64 CA GLY A 64 258.039 243.043 279.950 1.00 0.00 C +ATOM 65 CA PRO A 65 256.148 243.899 276.755 1.00 0.00 C +ATOM 66 CA GLY A 66 252.721 242.524 275.818 1.00 0.00 C +ATOM 67 CA LEU A 67 250.984 243.615 272.608 1.00 0.00 C +ATOM 68 CA THR A 68 251.764 244.563 269.001 1.00 0.00 C +ATOM 69 CA PRO A 69 254.839 245.812 267.129 1.00 0.00 C +ATOM 70 CA PRO A 70 255.332 246.666 263.449 1.00 0.00 C +ATOM 71 CA HIS A 71 257.286 243.702 262.065 1.00 0.00 C +ATOM 72 CA GLY A 72 256.114 240.079 261.954 1.00 0.00 C +ATOM 73 CA GLY A 73 255.728 239.278 258.249 1.00 0.00 C +ATOM 74 CA LEU A 74 254.295 239.305 254.719 1.00 0.00 C +ATOM 75 CA LEU A 75 254.483 237.152 251.581 1.00 0.00 C +ATOM 76 CA GLY A 76 252.972 233.848 250.434 1.00 0.00 C +ATOM 77 CA TRP A 77 253.654 233.109 246.759 1.00 0.00 C +ATOM 78 CA SER A 78 253.426 235.242 243.611 1.00 0.00 C +ATOM 79 CA PRO A 79 252.232 238.825 244.110 1.00 0.00 C +ATOM 80 CA GLN A 80 249.115 240.251 245.774 1.00 0.00 C +ATOM 81 CA ALA A 81 248.674 239.559 249.495 1.00 0.00 C +ATOM 82 CA GLN A 82 249.007 242.990 251.117 1.00 0.00 C +ATOM 83 CA GLY A 83 248.826 244.305 254.689 1.00 0.00 C +ATOM 84 CA ILE A 84 252.140 245.895 255.690 1.00 0.00 C +ATOM 85 CA LEU A 85 255.124 245.736 253.326 1.00 0.00 C +ATOM 86 CA THR A 86 257.642 245.865 250.469 1.00 0.00 C +ATOM 87 CA THR A 87 258.481 245.012 246.852 1.00 0.00 C +ATOM 88 CA VAL A 88 256.282 244.185 243.853 1.00 0.00 C +ATOM 89 CA PRO A 89 253.115 245.786 242.465 1.00 0.00 C +ATOM 90 CA ALA A 90 252.385 248.946 240.465 1.00 0.00 C +ATOM 91 CA VAL A 91 253.648 250.245 237.114 1.00 0.00 C +ATOM 92 CA PRO A 92 254.659 252.323 234.085 1.00 0.00 C +ATOM 93 CA PRO A 93 257.984 253.445 232.600 1.00 0.00 C +ATOM 94 CA PRO A 94 261.562 252.395 233.380 1.00 0.00 C +ATOM 95 CA ALA A 95 264.525 250.244 234.433 1.00 0.00 C +ATOM 96 CA SER A 96 266.026 247.601 232.134 1.00 0.00 C +ATOM 97 CA ALA A 97 268.195 246.894 229.083 1.00 0.00 C +ATOM 98 CA ASN A 98 268.978 247.486 225.402 1.00 0.00 C +ATOM 99 CA ARG A 99 270.645 246.376 222.161 1.00 0.00 C +ATOM 100 CA GLN A 100 272.138 243.077 220.974 1.00 0.00 C +ATOM 101 CA SER A 101 275.032 242.487 218.568 1.00 0.00 C +ATOM 102 CA GLY A 102 278.151 241.728 220.621 1.00 0.00 C +ATOM 103 CA ARG A 103 280.695 244.030 222.278 1.00 0.00 C +ATOM 104 CA GLN A 104 282.758 247.151 222.997 1.00 0.00 C +ATOM 105 CA PRO A 105 283.137 250.263 220.833 1.00 0.00 C +ATOM 106 CA THR A 106 280.702 250.691 217.934 1.00 0.00 C +ATOM 107 CA PRO A 107 281.084 253.545 215.439 1.00 0.00 C +ATOM 108 CA ILE A 108 281.682 257.192 214.513 1.00 0.00 C +ATOM 109 CA SER A 109 283.492 260.530 214.831 1.00 0.00 C +ATOM 110 CA PRO A 110 286.825 261.864 216.107 1.00 0.00 C +ATOM 111 CA PRO A 111 289.274 262.680 218.909 1.00 0.00 C +ATOM 112 CA LEU A 112 291.724 261.090 221.355 1.00 0.00 C +ATOM 113 CA ARG A 113 295.229 259.658 221.787 1.00 0.00 C +ATOM 114 CA ASP A 114 298.643 260.162 223.403 1.00 0.00 C +ATOM 115 CA SER A 115 300.601 263.346 222.666 1.00 0.00 C +ATOM 116 CA HIS A 116 298.510 265.254 220.115 1.00 0.00 C +ATOM 117 CA PRO A 117 297.675 268.969 220.242 1.00 0.00 C +ATOM 118 CA GLN A 118 295.661 271.513 222.238 1.00 0.00 C +ATOM 119 CA ALA A 119 293.142 271.347 225.092 1.00 0.00 C +ATOM 120 CA MET A 120 290.260 269.132 223.951 1.00 0.00 C +ATOM 121 CA GLN A 121 286.966 268.576 222.119 1.00 0.00 C +ATOM 122 CA TRP A 122 285.765 268.349 218.511 1.00 0.00 C +ATOM 123 CA ASN A 123 283.655 268.188 215.342 1.00 0.00 C +ATOM 124 CA SER A 124 284.609 271.124 213.108 1.00 0.00 C +ATOM 125 CA THR A 125 287.455 271.030 210.578 1.00 0.00 C +ATOM 126 CA PRO A 126 286.607 273.455 207.764 1.00 0.00 C +ATOM 127 CA PHE A 127 284.861 275.577 205.125 1.00 0.00 C +ATOM 128 CA LEU A 128 285.096 279.302 205.890 1.00 0.00 C +ATOM 129 CA GLN A 129 283.183 282.110 207.614 1.00 0.00 C +ATOM 130 CA ALA A 130 279.508 283.103 207.446 1.00 0.00 C +ATOM 131 CA LEU A 131 278.510 284.249 210.940 1.00 0.00 C +ATOM 132 CA PRO A 132 278.004 288.013 211.248 1.00 0.00 C +ATOM 133 CA ALA A 133 277.852 291.223 213.294 1.00 0.00 C +ATOM 134 CA GLY A 134 275.986 293.081 216.047 1.00 0.00 C +ATOM 135 CA GLY A 135 275.208 296.582 214.758 1.00 0.00 C +ATOM 136 CA SER A 136 271.712 296.985 213.299 1.00 0.00 C +ATOM 137 CA SER A 137 270.960 300.172 211.350 1.00 0.00 C +ATOM 138 CA SER A 138 270.417 303.351 209.322 1.00 0.00 C +ATOM 139 CA GLY A 139 270.854 302.701 205.593 1.00 0.00 C +ATOM 140 CA THR A 140 271.693 300.362 202.705 1.00 0.00 C +ATOM 141 CA VAL A 141 274.213 299.841 199.894 1.00 0.00 C +ATOM 142 CA ASN A 142 272.674 297.676 197.164 1.00 0.00 C +ATOM 143 CA PRO A 143 274.475 295.211 194.884 1.00 0.00 C +ATOM 144 CA VAL A 144 272.125 294.166 192.073 1.00 0.00 C +ATOM 145 CA PRO A 145 271.355 290.477 191.509 1.00 0.00 C +ATOM 146 CA THR A 146 274.422 288.435 192.477 1.00 0.00 C +ATOM 147 CA THR A 147 274.885 285.694 189.872 1.00 0.00 C +ATOM 148 CA ALA A 148 274.012 286.084 186.184 1.00 0.00 C +ATOM 149 CA SER A 149 271.852 289.059 185.185 1.00 0.00 C +ATOM 150 CA PRO A 150 271.874 289.268 181.381 1.00 0.00 C +ATOM 151 CA THR A 151 269.609 289.389 178.319 1.00 0.00 C +ATOM 152 CA SER A 152 268.289 286.334 176.465 1.00 0.00 C +ATOM 153 CA SER A 153 267.270 283.260 178.471 1.00 0.00 C +ATOM 154 CA ILE A 154 266.159 279.802 177.319 1.00 0.00 C +ATOM 155 CA PHE A 155 262.844 278.562 175.909 1.00 0.00 C +ATOM 156 CA SER A 156 261.310 276.583 173.037 1.00 0.00 C +ATOM 157 CA ARG A 157 258.703 278.365 170.905 1.00 0.00 C +ATOM 158 CA THR A 158 259.157 276.960 167.393 1.00 0.00 C +ATOM 159 CA GLY A 159 259.534 275.108 164.084 1.00 0.00 C +ATOM 160 CA ASP A 160 259.626 273.976 160.447 1.00 0.00 C +ATOM 161 CA PRO A 161 261.252 275.015 157.162 1.00 0.00 C +ATOM 162 CA ALA A 162 264.318 277.267 156.946 1.00 0.00 C +ATOM 163 CA PRO A 163 266.750 276.722 159.828 1.00 0.00 C +ATOM 164 CA ASN A 164 266.808 277.447 163.567 1.00 0.00 C +TER 165 ASN A 164 +END diff --git a/Viruses/Q4Z9E7/Q4Z9E7.dcd b/Viruses/Q4Z9E7/Q4Z9E7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..12369739b0b2c1cf9199c5d9b03524709b7d6f07 --- /dev/null +++ b/Viruses/Q4Z9E7/Q4Z9E7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:69e85db8b5fba5e879b5de8768ed064219bd91d13ad37066fb26077c6af3f370 +size 7040276 diff --git a/Viruses/Q4Z9E7/top.pdb b/Viruses/Q4Z9E7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..398818a4f937fab9036b26fc0e23a8c0462df74b --- /dev/null +++ b/Viruses/Q4Z9E7/top.pdb @@ -0,0 +1,56 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 210.670 261.250 254.445 1.00 0.00 C +ATOM 2 CA ASN A 2 213.311 263.336 252.660 1.00 0.00 C +ATOM 3 CA ASN A 3 215.128 262.075 249.557 1.00 0.00 C +ATOM 4 CA ARG A 4 217.296 259.920 247.283 1.00 0.00 C +ATOM 5 CA GLN A 5 220.884 259.995 248.563 1.00 0.00 C +ATOM 6 CA SER A 6 224.014 261.099 250.434 1.00 0.00 C +ATOM 7 CA LYS A 7 226.893 260.335 248.058 1.00 0.00 C +ATOM 8 CA LEU A 8 229.973 259.545 250.157 1.00 0.00 C +ATOM 9 CA LYS A 9 232.903 257.431 248.948 1.00 0.00 C +ATOM 10 CA GLY A 10 234.292 254.438 247.043 1.00 0.00 C +ATOM 11 CA GLN A 11 236.645 255.989 244.479 1.00 0.00 C +ATOM 12 CA ASN A 12 239.847 255.337 242.520 1.00 0.00 C +ATOM 13 CA GLN A 13 242.480 252.903 241.233 1.00 0.00 C +ATOM 14 CA PHE A 14 245.899 251.747 240.011 1.00 0.00 C +ATOM 15 CA HIS A 15 249.205 252.895 238.505 1.00 0.00 C +ATOM 16 CA TYR A 16 252.848 252.149 237.675 1.00 0.00 C +ATOM 17 CA HIS A 17 256.092 250.210 237.193 1.00 0.00 C +ATOM 18 CA ASP A 18 259.879 249.946 236.867 1.00 0.00 C +ATOM 19 CA LYS A 19 262.661 251.955 238.522 1.00 0.00 C +ATOM 20 CA PRO A 20 263.008 253.963 241.741 1.00 0.00 C +ATOM 21 CA THR A 21 260.394 253.501 244.474 1.00 0.00 C +ATOM 22 CA ASP A 22 256.760 254.099 245.451 1.00 0.00 C +ATOM 23 CA LYS A 23 253.565 252.172 246.220 1.00 0.00 C +ATOM 24 CA GLY A 24 249.881 251.235 245.968 1.00 0.00 C +ATOM 25 CA CYS A 25 247.164 250.620 248.567 1.00 0.00 C +ATOM 26 CA TYR A 26 247.527 248.802 251.896 1.00 0.00 C +ATOM 27 CA LYS A 27 247.927 248.763 255.685 1.00 0.00 C +ATOM 28 CA ARG A 28 249.376 250.759 258.588 1.00 0.00 C +ATOM 29 CA LEU A 29 251.759 249.166 261.098 1.00 0.00 C +ATOM 30 CA LYS A 30 255.289 248.456 259.852 1.00 0.00 C +ATOM 31 CA LYS A 31 257.096 245.110 259.623 1.00 0.00 C +ATOM 32 CA ARG A 32 260.513 243.429 259.767 1.00 0.00 C +ATOM 33 CA LYS A 33 263.350 245.968 259.620 1.00 0.00 C +ATOM 34 CA THR A 34 267.014 245.872 258.581 1.00 0.00 C +ATOM 35 CA ARG A 35 268.345 242.923 256.569 1.00 0.00 C +ATOM 36 CA ASN A 36 266.915 241.481 253.345 1.00 0.00 C +ATOM 37 CA GLU A 37 266.325 243.115 249.954 1.00 0.00 C +ATOM 38 CA LEU A 38 264.796 246.428 248.857 1.00 0.00 C +ATOM 39 CA LYS A 39 262.244 248.119 251.124 1.00 0.00 C +ATOM 40 CA LYS A 40 260.814 248.521 254.633 1.00 0.00 C +ATOM 41 CA TYR A 41 259.640 251.955 255.795 1.00 0.00 C +ATOM 42 CA LEU A 42 256.255 253.483 256.642 1.00 0.00 C +ATOM 43 CA GLN A 43 253.511 252.036 254.430 1.00 0.00 C +ATOM 44 CA LYS A 44 255.357 249.932 251.844 1.00 0.00 C +ATOM 45 CA GLU A 45 256.414 246.828 249.904 1.00 0.00 C +ATOM 46 CA ARG A 46 253.952 244.008 250.616 1.00 0.00 C +ATOM 47 CA LYS A 47 255.303 240.571 251.555 1.00 0.00 C +ATOM 48 CA LYS A 48 258.901 239.583 250.783 1.00 0.00 C +ATOM 49 CA TYR A 49 259.898 236.231 252.295 1.00 0.00 C +ATOM 50 CA ILE A 50 263.351 234.952 253.274 1.00 0.00 C +ATOM 51 CA ASP A 51 267.062 234.114 253.061 1.00 0.00 C +ATOM 52 CA LYS A 52 269.372 231.246 254.036 1.00 0.00 C +TER 53 LYS A 52 +END diff --git a/Viruses/Q4ZA14/Q4ZA14.dcd b/Viruses/Q4ZA14/Q4ZA14.dcd new file mode 100644 index 0000000000000000000000000000000000000000..45f3530c54c90da6617807a29db38dbec73ae234 --- /dev/null +++ b/Viruses/Q4ZA14/Q4ZA14.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b093bf0f39f2e7166816ae11c3304799ab42480e88645cded04f7516d98e1e85 +size 6320276 diff --git a/Viruses/Q4ZA14/top.pdb b/Viruses/Q4ZA14/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f73acdaa42dd6af401109c5f80bcef8ad2a46d18 --- /dev/null +++ b/Viruses/Q4ZA14/top.pdb @@ -0,0 +1,50 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 233.589 276.382 216.934 1.00 0.00 C +ATOM 2 CA ALA A 2 230.629 274.592 215.337 1.00 0.00 C +ATOM 3 CA ASN A 3 231.025 270.841 214.802 1.00 0.00 C +ATOM 4 CA LYS A 4 232.845 267.980 216.539 1.00 0.00 C +ATOM 5 CA ARG A 5 234.112 266.823 219.940 1.00 0.00 C +ATOM 6 CA LYS A 6 235.704 264.140 222.128 1.00 0.00 C +ATOM 7 CA THR A 7 236.935 265.359 225.521 1.00 0.00 C +ATOM 8 CA ILE A 8 240.304 265.159 227.287 1.00 0.00 C +ATOM 9 CA GLY A 9 241.358 263.851 230.707 1.00 0.00 C +ATOM 10 CA LYS A 10 239.725 263.164 234.080 1.00 0.00 C +ATOM 11 CA MET A 11 241.667 261.943 237.122 1.00 0.00 C +ATOM 12 CA SER A 12 243.009 260.871 240.523 1.00 0.00 C +ATOM 13 CA ASN A 13 242.358 263.305 243.380 1.00 0.00 C +ATOM 14 CA THR A 14 242.951 265.108 246.684 1.00 0.00 C +ATOM 15 CA ARG A 15 244.291 263.133 249.654 1.00 0.00 C +ATOM 16 CA ALA A 16 242.792 259.765 250.613 1.00 0.00 C +ATOM 17 CA THR A 17 239.260 258.856 249.510 1.00 0.00 C +ATOM 18 CA TRP A 18 237.664 255.533 250.473 1.00 0.00 C +ATOM 19 CA ASN A 19 236.913 252.070 249.073 1.00 0.00 C +ATOM 20 CA ILE A 20 239.640 249.670 247.925 1.00 0.00 C +ATOM 21 CA ASN A 21 241.528 247.247 250.179 1.00 0.00 C +ATOM 22 CA PRO A 22 244.993 247.394 251.756 1.00 0.00 C +ATOM 23 CA VAL A 23 247.041 248.688 254.696 1.00 0.00 C +ATOM 24 CA THR A 24 248.456 248.028 258.172 1.00 0.00 C +ATOM 25 CA LYS A 25 248.703 245.074 260.565 1.00 0.00 C +ATOM 26 CA VAL A 26 250.068 241.838 259.090 1.00 0.00 C +ATOM 27 CA LYS A 27 251.571 238.948 257.113 1.00 0.00 C +ATOM 28 CA LYS A 28 250.976 235.669 258.962 1.00 0.00 C +ATOM 29 CA ASP A 29 253.207 232.753 257.946 1.00 0.00 C +ATOM 30 CA LYS A 30 253.916 229.212 256.733 1.00 0.00 C +ATOM 31 CA THR A 31 256.273 227.686 254.157 1.00 0.00 C +ATOM 32 CA LYS A 32 259.834 226.784 255.167 1.00 0.00 C +ATOM 33 CA TYR A 33 261.416 228.219 258.322 1.00 0.00 C +ATOM 34 CA SER A 34 265.000 229.281 259.059 1.00 0.00 C +ATOM 35 CA ARG A 35 265.742 230.991 262.382 1.00 0.00 C +ATOM 36 CA LYS A 36 266.117 232.257 265.956 1.00 0.00 C +ATOM 37 CA ASN A 37 267.838 234.859 268.143 1.00 0.00 C +ATOM 38 CA LYS A 38 266.398 236.018 271.475 1.00 0.00 C +ATOM 39 CA HIS A 39 267.888 238.530 273.922 1.00 0.00 C +ATOM 40 CA LYS A 40 268.442 242.210 273.108 1.00 0.00 C +ATOM 41 CA GLY A 41 268.070 244.034 269.784 1.00 0.00 C +ATOM 42 CA LEU A 42 268.210 245.771 266.395 1.00 0.00 C +ATOM 43 CA ASP A 43 269.883 249.190 266.248 1.00 0.00 C +ATOM 44 CA ASN A 44 267.050 251.707 266.641 1.00 0.00 C +ATOM 45 CA TYR A 45 264.067 250.082 268.367 1.00 0.00 C +ATOM 46 CA ASN A 46 260.542 248.983 267.429 1.00 0.00 C +TER 47 ASN A 46 +END diff --git a/Viruses/Q507B8/Q507B8.dcd b/Viruses/Q507B8/Q507B8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b673f5184b94471acf582be0b6ad36aa1acccbbe --- /dev/null +++ b/Viruses/Q507B8/Q507B8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7de8aaeadb247091c5a716d04c9a82c38ed507b1a50085b64b4b991a480cd8f9 +size 6080276 diff --git a/Viruses/Q507B8/top.pdb b/Viruses/Q507B8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0fb1751f975a77974e7a0a243ee9edb6640014bc --- /dev/null +++ b/Viruses/Q507B8/top.pdb @@ -0,0 +1,48 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 281.416 245.198 249.498 1.00 0.00 C +ATOM 2 CA GLY A 2 278.655 242.577 249.651 1.00 0.00 C +ATOM 3 CA GLY A 3 274.960 241.879 249.041 1.00 0.00 C +ATOM 4 CA LYS A 4 272.577 243.890 246.851 1.00 0.00 C +ATOM 5 CA TRP A 5 271.444 247.370 247.910 1.00 0.00 C +ATOM 6 CA SER A 6 273.335 248.520 251.011 1.00 0.00 C +ATOM 7 CA LYS A 7 274.329 249.319 254.602 1.00 0.00 C +ATOM 8 CA ASN A 8 271.290 250.813 256.348 1.00 0.00 C +ATOM 9 CA SER A 9 267.894 249.336 257.241 1.00 0.00 C +ATOM 10 CA LYS A 10 265.069 250.790 259.343 1.00 0.00 C +ATOM 11 CA VAL A 11 261.598 250.255 260.822 1.00 0.00 C +ATOM 12 CA GLU A 12 259.289 247.490 262.060 1.00 0.00 C +ATOM 13 CA TRP A 13 256.895 247.162 265.006 1.00 0.00 C +ATOM 14 CA PRO A 14 254.174 245.455 267.056 1.00 0.00 C +ATOM 15 CA ALA A 15 251.560 242.785 266.313 1.00 0.00 C +ATOM 16 CA ILE A 16 250.334 239.396 267.550 1.00 0.00 C +ATOM 17 CA ARG A 17 246.832 238.180 268.428 1.00 0.00 C +ATOM 18 CA GLU A 18 243.083 238.263 269.105 1.00 0.00 C +ATOM 19 CA ARG A 19 239.674 239.763 268.304 1.00 0.00 C +ATOM 20 CA MET A 20 240.034 243.544 268.004 1.00 0.00 C +ATOM 21 CA ARG A 21 241.294 246.863 266.619 1.00 0.00 C +ATOM 22 CA ARG A 22 244.244 249.267 266.434 1.00 0.00 C +ATOM 23 CA THR A 23 243.034 252.517 264.857 1.00 0.00 C +ATOM 24 CA GLU A 24 241.116 254.237 262.050 1.00 0.00 C +ATOM 25 CA PRO A 25 240.609 257.992 262.451 1.00 0.00 C +ATOM 26 CA ALA A 26 241.216 261.023 260.224 1.00 0.00 C +ATOM 27 CA ALA A 27 242.401 260.443 256.649 1.00 0.00 C +ATOM 28 CA GLU A 28 241.198 261.107 253.096 1.00 0.00 C +ATOM 29 CA GLY A 29 239.903 260.054 249.671 1.00 0.00 C +ATOM 30 CA VAL A 30 237.237 261.804 247.586 1.00 0.00 C +ATOM 31 CA GLY A 31 234.917 262.822 244.740 1.00 0.00 C +ATOM 32 CA ALA A 32 234.273 260.858 241.539 1.00 0.00 C +ATOM 33 CA ALA A 33 234.406 257.659 239.475 1.00 0.00 C +ATOM 34 CA SER A 34 237.182 256.270 237.266 1.00 0.00 C +ATOM 35 CA GLN A 35 239.827 257.094 234.650 1.00 0.00 C +ATOM 36 CA ASP A 36 242.294 255.798 232.052 1.00 0.00 C +ATOM 37 CA LEU A 37 245.334 253.893 230.770 1.00 0.00 C +ATOM 38 CA ASP A 38 244.648 251.290 228.073 1.00 0.00 C +ATOM 39 CA LYS A 39 247.060 248.796 226.501 1.00 0.00 C +ATOM 40 CA TYR A 40 244.899 246.468 224.397 1.00 0.00 C +ATOM 41 CA GLY A 41 241.671 247.411 222.607 1.00 0.00 C +ATOM 42 CA ALA A 42 238.737 245.048 222.040 1.00 0.00 C +ATOM 43 CA LEU A 43 235.477 245.444 220.108 1.00 0.00 C +ATOM 44 CA THR A 44 232.579 243.858 222.005 1.00 0.00 C +TER 45 THR A 44 +END diff --git a/Viruses/Q507D5/Q507D5.dcd b/Viruses/Q507D5/Q507D5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..282866b27754c85c8259f3b878cd9e6da9117141 --- /dev/null +++ b/Viruses/Q507D5/Q507D5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a8c004f56fc772d4894983bfa7db5f5618228dd7400c4a90648f0874c265d2b4 +size 6080276 diff --git a/Viruses/Q507D5/top.pdb b/Viruses/Q507D5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..cdc9b7e8fd664a346569d1f6f4d6dda402976148 --- /dev/null +++ b/Viruses/Q507D5/top.pdb @@ -0,0 +1,48 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 262.135 249.320 282.316 1.00 0.00 C +ATOM 2 CA GLY A 2 261.274 249.145 278.608 1.00 0.00 C +ATOM 3 CA GLY A 3 258.178 248.984 276.393 1.00 0.00 C +ATOM 4 CA LYS A 4 256.066 249.952 273.374 1.00 0.00 C +ATOM 5 CA TRP A 5 255.336 253.412 271.956 1.00 0.00 C +ATOM 6 CA SER A 6 255.245 256.357 274.372 1.00 0.00 C +ATOM 7 CA LYS A 7 254.794 260.129 274.086 1.00 0.00 C +ATOM 8 CA SER A 8 255.758 262.484 271.251 1.00 0.00 C +ATOM 9 CA SER A 9 255.961 260.240 268.179 1.00 0.00 C +ATOM 10 CA VAL A 10 255.483 262.445 265.109 1.00 0.00 C +ATOM 11 CA VAL A 11 253.924 262.706 261.642 1.00 0.00 C +ATOM 12 CA GLY A 12 250.431 264.153 262.115 1.00 0.00 C +ATOM 13 CA ARG A 13 246.992 262.704 261.351 1.00 0.00 C +ATOM 14 CA PRO A 14 243.569 261.053 261.072 1.00 0.00 C +ATOM 15 CA SER A 15 241.434 262.012 258.066 1.00 0.00 C +ATOM 16 CA VAL A 16 243.922 263.138 255.410 1.00 0.00 C +ATOM 17 CA ARG A 17 245.242 263.192 251.836 1.00 0.00 C +ATOM 18 CA GLU A 18 248.552 264.657 250.647 1.00 0.00 C +ATOM 19 CA ARG A 19 249.237 265.568 247.011 1.00 0.00 C +ATOM 20 CA MET A 20 251.948 265.319 244.346 1.00 0.00 C +ATOM 21 CA LYS A 21 250.325 264.004 241.161 1.00 0.00 C +ATOM 22 CA ARG A 22 247.973 261.996 238.934 1.00 0.00 C +ATOM 23 CA ALA A 23 245.070 262.169 236.473 1.00 0.00 C +ATOM 24 CA GLU A 24 243.846 258.607 235.902 1.00 0.00 C +ATOM 25 CA PRO A 25 243.249 255.637 233.591 1.00 0.00 C +ATOM 26 CA ALA A 26 244.883 252.298 232.756 1.00 0.00 C +ATOM 27 CA ALA A 27 247.671 249.708 232.569 1.00 0.00 C +ATOM 28 CA ASP A 28 246.937 245.981 232.266 1.00 0.00 C +ATOM 29 CA GLY A 29 247.313 243.832 235.389 1.00 0.00 C +ATOM 30 CA VAL A 30 247.609 245.370 238.863 1.00 0.00 C +ATOM 31 CA GLY A 31 247.130 244.464 242.532 1.00 0.00 C +ATOM 32 CA ALA A 32 246.746 240.732 243.195 1.00 0.00 C +ATOM 33 CA VAL A 33 249.503 238.193 242.512 1.00 0.00 C +ATOM 34 CA SER A 34 251.804 235.658 244.185 1.00 0.00 C +ATOM 35 CA ARG A 35 255.543 234.939 244.292 1.00 0.00 C +ATOM 36 CA ASP A 36 257.542 231.696 244.379 1.00 0.00 C +ATOM 37 CA LEU A 37 258.699 230.619 240.913 1.00 0.00 C +ATOM 38 CA GLU A 38 255.642 230.445 238.646 1.00 0.00 C +ATOM 39 CA LYS A 39 252.772 230.368 236.142 1.00 0.00 C +ATOM 40 CA HIS A 40 249.550 232.205 235.270 1.00 0.00 C +ATOM 41 CA GLY A 41 245.767 232.422 234.878 1.00 0.00 C +ATOM 42 CA ALA A 42 242.958 229.847 234.876 1.00 0.00 C +ATOM 43 CA ILE A 43 239.401 231.081 234.293 1.00 0.00 C +ATOM 44 CA THR A 44 236.586 230.759 236.840 1.00 0.00 C +TER 45 THR A 44 +END diff --git a/Viruses/Q50G65/Q50G65.dcd b/Viruses/Q50G65/Q50G65.dcd new file mode 100644 index 0000000000000000000000000000000000000000..cb383f993493f2b3ad8d992a9cf20ea06463efe6 --- /dev/null +++ b/Viruses/Q50G65/Q50G65.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ffda0d3cc46b984465a19be43fb7a79edebe32b2ae7a6d1386ff68ae4c98ee28 +size 14960276 diff --git a/Viruses/Q50G65/top.pdb b/Viruses/Q50G65/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..683e49d10c86eeb714e65f7f89832e74184f78c1 --- /dev/null +++ b/Viruses/Q50G65/top.pdb @@ -0,0 +1,122 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA CYS A 1 208.578 295.601 260.654 1.00 0.00 C +ATOM 2 CA LYS A 2 204.830 296.281 260.732 1.00 0.00 C +ATOM 3 CA SER A 3 203.175 293.395 258.874 1.00 0.00 C +ATOM 4 CA ILE A 4 204.725 291.443 255.992 1.00 0.00 C +ATOM 5 CA CYS A 5 206.759 290.926 252.813 1.00 0.00 C +ATOM 6 CA LYS A 6 210.496 291.645 252.991 1.00 0.00 C +ATOM 7 CA THR A 7 213.510 289.765 254.368 1.00 0.00 C +ATOM 8 CA ILE A 8 213.899 286.411 256.134 1.00 0.00 C +ATOM 9 CA PRO A 9 211.499 286.518 259.092 1.00 0.00 C +ATOM 10 CA SER A 10 207.787 285.850 258.556 1.00 0.00 C +ATOM 11 CA ASN A 11 203.988 286.080 258.723 1.00 0.00 C +ATOM 12 CA LYS A 12 201.031 286.955 260.962 1.00 0.00 C +ATOM 13 CA PRO A 13 200.188 286.238 264.607 1.00 0.00 C +ATOM 14 CA LYS A 14 198.363 285.671 267.903 1.00 0.00 C +ATOM 15 CA LYS A 15 196.206 284.931 270.956 1.00 0.00 C +ATOM 16 CA LYS A 16 196.436 286.902 274.208 1.00 0.00 C +ATOM 17 CA PRO A 17 198.675 288.837 276.608 1.00 0.00 C +ATOM 18 CA THR A 18 199.840 289.927 280.067 1.00 0.00 C +ATOM 19 CA ILE A 19 203.524 290.863 280.330 1.00 0.00 C +ATOM 20 CA LYS A 20 206.863 289.206 279.543 1.00 0.00 C +ATOM 21 CA PRO A 21 208.350 285.701 279.385 1.00 0.00 C +ATOM 22 CA THR A 22 210.238 284.595 276.266 1.00 0.00 C +ATOM 23 CA ASN A 23 210.367 287.016 273.328 1.00 0.00 C +ATOM 24 CA LYS A 24 210.234 286.008 269.656 1.00 0.00 C +ATOM 25 CA PRO A 25 210.389 282.243 269.091 1.00 0.00 C +ATOM 26 CA PRO A 26 211.130 279.255 271.335 1.00 0.00 C +ATOM 27 CA THR A 27 207.922 278.360 273.186 1.00 0.00 C +ATOM 28 CA LYS A 28 204.610 277.370 271.583 1.00 0.00 C +ATOM 29 CA THR A 29 201.170 278.477 272.790 1.00 0.00 C +ATOM 30 CA THR A 30 198.824 275.485 273.029 1.00 0.00 C +ATOM 31 CA ASN A 31 197.224 272.439 274.666 1.00 0.00 C +ATOM 32 CA LYS A 32 198.645 269.091 273.529 1.00 0.00 C +ATOM 33 CA ARG A 33 202.444 268.974 273.261 1.00 0.00 C +ATOM 34 CA ASP A 34 204.421 268.379 270.059 1.00 0.00 C +ATOM 35 CA PRO A 35 205.938 264.889 269.889 1.00 0.00 C +ATOM 36 CA LYS A 36 207.931 261.643 269.785 1.00 0.00 C +ATOM 37 CA THR A 37 210.190 259.002 271.346 1.00 0.00 C +ATOM 38 CA LEU A 38 213.772 258.060 272.238 1.00 0.00 C +ATOM 39 CA ALA A 39 215.778 258.625 269.048 1.00 0.00 C +ATOM 40 CA LYS A 40 217.820 258.066 265.881 1.00 0.00 C +ATOM 41 CA THR A 41 221.257 256.912 264.710 1.00 0.00 C +ATOM 42 CA LEU A 42 223.359 254.783 262.351 1.00 0.00 C +ATOM 43 CA LYS A 43 226.016 257.103 260.910 1.00 0.00 C +ATOM 44 CA LYS A 44 228.398 256.285 258.051 1.00 0.00 C +ATOM 45 CA GLU A 45 229.173 252.593 257.519 1.00 0.00 C +ATOM 46 CA THR A 46 229.969 250.517 260.612 1.00 0.00 C +ATOM 47 CA THR A 47 232.247 247.471 260.844 1.00 0.00 C +ATOM 48 CA THR A 48 235.227 245.854 262.580 1.00 0.00 C +ATOM 49 CA ASN A 49 238.494 244.327 261.348 1.00 0.00 C +ATOM 50 CA PRO A 50 242.266 244.780 261.630 1.00 0.00 C +ATOM 51 CA THR A 51 243.896 242.684 258.898 1.00 0.00 C +ATOM 52 CA LYS A 52 245.989 239.647 257.941 1.00 0.00 C +ATOM 53 CA LYS A 53 248.910 239.709 255.496 1.00 0.00 C +ATOM 54 CA PRO A 54 251.800 238.542 253.304 1.00 0.00 C +ATOM 55 CA THR A 55 252.068 236.532 250.079 1.00 0.00 C +ATOM 56 CA PRO A 56 249.862 235.013 247.369 1.00 0.00 C +ATOM 57 CA LYS A 57 249.278 233.801 243.805 1.00 0.00 C +ATOM 58 CA THR A 58 248.004 236.741 241.745 1.00 0.00 C +ATOM 59 CA THR A 59 248.203 240.523 242.167 1.00 0.00 C +ATOM 60 CA GLU A 60 248.018 242.384 245.486 1.00 0.00 C +ATOM 61 CA ARG A 61 248.615 244.274 248.740 1.00 0.00 C +ATOM 62 CA ASP A 62 252.162 243.773 250.039 1.00 0.00 C +ATOM 63 CA THR A 63 253.709 247.252 250.161 1.00 0.00 C +ATOM 64 CA SER A 64 253.568 251.000 250.829 1.00 0.00 C +ATOM 65 CA THR A 65 255.763 253.519 248.998 1.00 0.00 C +ATOM 66 CA SER A 66 257.758 256.698 248.342 1.00 0.00 C +ATOM 67 CA GLN A 67 261.130 258.045 249.495 1.00 0.00 C +ATOM 68 CA SER A 68 264.823 258.620 248.755 1.00 0.00 C +ATOM 69 CA THR A 69 268.278 259.700 247.567 1.00 0.00 C +ATOM 70 CA VAL A 70 269.009 263.410 248.032 1.00 0.00 C +ATOM 71 CA LEU A 71 268.362 264.979 244.621 1.00 0.00 C +ATOM 72 CA ASP A 72 267.569 262.803 241.596 1.00 0.00 C +ATOM 73 CA THR A 73 267.540 259.011 241.221 1.00 0.00 C +ATOM 74 CA ALA A 74 264.039 257.844 240.273 1.00 0.00 C +ATOM 75 CA THR A 75 263.942 254.083 240.876 1.00 0.00 C +ATOM 76 CA SER A 76 265.471 250.638 241.434 1.00 0.00 C +ATOM 77 CA LYS A 77 265.251 247.223 239.759 1.00 0.00 C +ATOM 78 CA HIS A 78 267.613 244.273 240.240 1.00 0.00 C +ATOM 79 CA THR A 79 270.062 242.731 237.762 1.00 0.00 C +ATOM 80 CA ILE A 80 273.330 243.450 235.939 1.00 0.00 C +ATOM 81 CA GLN A 81 275.159 246.771 236.316 1.00 0.00 C +ATOM 82 CA GLN A 82 278.959 246.509 236.271 1.00 0.00 C +ATOM 83 CA GLN A 83 280.930 246.288 239.524 1.00 0.00 C +ATOM 84 CA SER A 84 282.562 245.140 242.769 1.00 0.00 C +ATOM 85 CA LEU A 85 282.750 241.522 243.950 1.00 0.00 C +ATOM 86 CA HIS A 86 280.388 239.141 242.143 1.00 0.00 C +ATOM 87 CA SER A 87 279.536 235.462 242.654 1.00 0.00 C +ATOM 88 CA THR A 88 280.035 233.215 245.690 1.00 0.00 C +ATOM 89 CA THR A 89 280.246 231.772 249.210 1.00 0.00 C +ATOM 90 CA PRO A 90 280.950 228.072 249.788 1.00 0.00 C +ATOM 91 CA GLU A 91 283.514 225.865 248.035 1.00 0.00 C +ATOM 92 CA ASN A 92 284.541 222.529 249.562 1.00 0.00 C +ATOM 93 CA THR A 93 288.277 221.801 249.716 1.00 0.00 C +ATOM 94 CA PRO A 94 291.615 223.554 250.262 1.00 0.00 C +ATOM 95 CA ASN A 95 293.304 223.464 246.847 1.00 0.00 C +ATOM 96 CA SER A 96 292.433 221.148 243.951 1.00 0.00 C +ATOM 97 CA THR A 97 292.017 220.668 240.194 1.00 0.00 C +ATOM 98 CA GLN A 98 291.634 221.867 236.598 1.00 0.00 C +ATOM 99 CA THR A 99 290.376 221.025 233.102 1.00 0.00 C +ATOM 100 CA PRO A 100 290.992 221.294 229.352 1.00 0.00 C +ATOM 101 CA LYS A 101 288.912 218.488 227.829 1.00 0.00 C +ATOM 102 CA ALA A 102 290.264 215.785 225.510 1.00 0.00 C +ATOM 103 CA SER A 103 292.054 212.992 223.636 1.00 0.00 C +ATOM 104 CA GLU A 104 295.444 211.630 222.554 1.00 0.00 C +ATOM 105 CA PRO A 105 298.346 210.911 220.192 1.00 0.00 C +ATOM 106 CA SER A 106 301.748 209.962 221.623 1.00 0.00 C +ATOM 107 CA THR A 107 304.991 208.926 219.913 1.00 0.00 C +ATOM 108 CA SER A 108 308.741 209.222 219.310 1.00 0.00 C +ATOM 109 CA ASN A 109 311.030 206.253 218.633 1.00 0.00 C +ATOM 110 CA SER A 110 313.964 206.382 221.060 1.00 0.00 C +ATOM 111 CA THR A 111 316.087 203.236 220.735 1.00 0.00 C +ATOM 112 CA GLN A 112 313.951 200.520 219.130 1.00 0.00 C +ATOM 113 CA LYS A 113 312.066 198.992 216.192 1.00 0.00 C +ATOM 114 CA LEU A 114 313.129 197.107 213.057 1.00 0.00 C +ATOM 115 CA TRP A 115 313.526 197.502 209.288 1.00 0.00 C +ATOM 116 CA SER A 116 314.514 195.300 206.340 1.00 0.00 C +ATOM 117 CA TYR A 117 313.013 191.810 206.050 1.00 0.00 C +ATOM 118 CA ALA A 118 309.810 191.225 208.030 1.00 0.00 C +TER 119 ALA A 118 +END diff --git a/Viruses/Q50GB0/Q50GB0.dcd b/Viruses/Q50GB0/Q50GB0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..0ca5532506e2f5d18ad6fd455c552e6cdfb25201 --- /dev/null +++ b/Viruses/Q50GB0/Q50GB0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1deba7c8a59f11b508d4878033626b4d569e85d5e5e8a7e57995b886d755d7cf +size 14600276 diff --git a/Viruses/Q50GB0/top.pdb b/Viruses/Q50GB0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ff7a8ef529d882f9365315ffac497345f2348971 --- /dev/null +++ b/Viruses/Q50GB0/top.pdb @@ -0,0 +1,119 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ALA A 1 247.372 260.262 216.582 1.00 0.00 C +ATOM 2 CA ILE A 2 250.662 258.439 217.189 1.00 0.00 C +ATOM 3 CA CYS A 3 252.039 255.506 219.195 1.00 0.00 C +ATOM 4 CA LYS A 4 255.830 255.162 219.034 1.00 0.00 C +ATOM 5 CA ARG A 5 257.270 258.294 217.412 1.00 0.00 C +ATOM 6 CA ILE A 6 260.550 259.908 216.337 1.00 0.00 C +ATOM 7 CA PRO A 7 263.948 258.431 217.223 1.00 0.00 C +ATOM 8 CA ASN A 8 266.625 260.631 218.805 1.00 0.00 C +ATOM 9 CA LYS A 9 265.869 263.017 221.678 1.00 0.00 C +ATOM 10 CA LYS A 10 263.836 261.598 224.571 1.00 0.00 C +ATOM 11 CA PRO A 11 260.620 259.928 225.745 1.00 0.00 C +ATOM 12 CA GLY A 12 260.266 258.056 229.045 1.00 0.00 C +ATOM 13 CA LYS A 13 259.605 254.896 231.067 1.00 0.00 C +ATOM 14 CA LYS A 14 256.396 253.059 231.984 1.00 0.00 C +ATOM 15 CA THR A 15 256.627 249.329 232.726 1.00 0.00 C +ATOM 16 CA THR A 16 254.102 246.650 231.743 1.00 0.00 C +ATOM 17 CA THR A 17 253.964 243.313 229.909 1.00 0.00 C +ATOM 18 CA LYS A 18 255.101 240.453 232.155 1.00 0.00 C +ATOM 19 CA PRO A 19 258.392 238.546 231.932 1.00 0.00 C +ATOM 20 CA THR A 20 261.553 238.667 234.056 1.00 0.00 C +ATOM 21 CA LYS A 21 263.440 241.918 234.679 1.00 0.00 C +ATOM 22 CA LYS A 22 265.400 244.657 236.460 1.00 0.00 C +ATOM 23 CA PRO A 23 265.946 244.481 240.227 1.00 0.00 C +ATOM 24 CA THR A 24 264.270 247.205 242.297 1.00 0.00 C +ATOM 25 CA ILE A 25 261.301 248.189 244.473 1.00 0.00 C +ATOM 26 CA LYS A 26 257.712 246.967 244.855 1.00 0.00 C +ATOM 27 CA THR A 27 255.195 247.082 241.998 1.00 0.00 C +ATOM 28 CA THR A 28 255.062 249.947 239.489 1.00 0.00 C +ATOM 29 CA LYS A 29 253.117 253.202 239.128 1.00 0.00 C +ATOM 30 CA LYS A 30 251.633 255.608 236.573 1.00 0.00 C +ATOM 31 CA ASP A 31 248.715 258.057 236.511 1.00 0.00 C +ATOM 32 CA PRO A 32 245.614 258.007 234.299 1.00 0.00 C +ATOM 33 CA LYS A 33 242.620 259.860 235.756 1.00 0.00 C +ATOM 34 CA PRO A 34 239.372 257.890 236.048 1.00 0.00 C +ATOM 35 CA GLN A 35 236.257 255.779 235.452 1.00 0.00 C +ATOM 36 CA THR A 36 232.628 255.019 236.328 1.00 0.00 C +ATOM 37 CA THR A 37 229.254 253.279 236.012 1.00 0.00 C +ATOM 38 CA LYS A 38 226.772 250.517 235.157 1.00 0.00 C +ATOM 39 CA PRO A 39 225.407 247.068 234.286 1.00 0.00 C +ATOM 40 CA LYS A 40 225.791 245.813 230.709 1.00 0.00 C +ATOM 41 CA GLU A 41 227.152 247.323 227.486 1.00 0.00 C +ATOM 42 CA VAL A 42 228.137 248.058 223.880 1.00 0.00 C +ATOM 43 CA LEU A 43 228.833 244.954 221.784 1.00 0.00 C +ATOM 44 CA THR A 44 228.717 242.800 218.644 1.00 0.00 C +ATOM 45 CA PRO A 45 228.989 239.002 218.799 1.00 0.00 C +ATOM 46 CA LYS A 46 228.610 238.021 222.461 1.00 0.00 C +ATOM 47 CA PRO A 47 231.700 239.196 224.355 1.00 0.00 C +ATOM 48 CA THR A 48 234.093 242.078 225.051 1.00 0.00 C +ATOM 49 CA GLU A 49 232.429 244.066 227.843 1.00 0.00 C +ATOM 50 CA LYS A 50 235.083 245.029 230.402 1.00 0.00 C +ATOM 51 CA PRO A 51 238.503 246.467 231.269 1.00 0.00 C +ATOM 52 CA THR A 52 240.009 249.538 232.946 1.00 0.00 C +ATOM 53 CA ILE A 53 243.507 248.820 234.275 1.00 0.00 C +ATOM 54 CA ASN A 54 245.225 250.773 237.058 1.00 0.00 C +ATOM 55 CA THR A 55 248.096 249.676 239.310 1.00 0.00 C +ATOM 56 CA THR A 56 246.880 249.952 242.911 1.00 0.00 C +ATOM 57 CA LYS A 57 249.176 247.599 244.835 1.00 0.00 C +ATOM 58 CA THR A 58 248.649 244.158 246.384 1.00 0.00 C +ATOM 59 CA ASN A 59 245.227 242.632 247.072 1.00 0.00 C +ATOM 60 CA ILE A 60 242.243 242.836 249.432 1.00 0.00 C +ATOM 61 CA ARG A 61 239.305 240.698 250.577 1.00 0.00 C +ATOM 62 CA THR A 62 235.696 241.909 250.740 1.00 0.00 C +ATOM 63 CA THR A 63 234.344 240.640 254.068 1.00 0.00 C +ATOM 64 CA LEU A 64 234.981 240.582 257.824 1.00 0.00 C +ATOM 65 CA LEU A 65 237.583 241.579 260.423 1.00 0.00 C +ATOM 66 CA THR A 66 240.419 239.065 260.811 1.00 0.00 C +ATOM 67 CA SER A 67 243.814 237.996 259.451 1.00 0.00 C +ATOM 68 CA ASN A 68 245.798 235.394 257.500 1.00 0.00 C +ATOM 69 CA ILE A 69 248.509 232.949 258.588 1.00 0.00 C +ATOM 70 CA THR A 70 252.017 233.897 257.442 1.00 0.00 C +ATOM 71 CA GLU A 71 252.833 236.684 254.975 1.00 0.00 C +ATOM 72 CA ASN A 72 255.248 237.728 252.219 1.00 0.00 C +ATOM 73 CA GLN A 73 258.025 239.609 254.026 1.00 0.00 C +ATOM 74 CA GLU A 74 258.297 243.190 255.298 1.00 0.00 C +ATOM 75 CA HIS A 75 258.611 246.350 257.403 1.00 0.00 C +ATOM 76 CA THR A 76 257.859 249.305 259.687 1.00 0.00 C +ATOM 77 CA SER A 77 255.728 252.323 258.757 1.00 0.00 C +ATOM 78 CA GLN A 78 253.227 252.587 255.895 1.00 0.00 C +ATOM 79 CA LYS A 79 250.668 249.768 255.732 1.00 0.00 C +ATOM 80 CA GLU A 80 247.309 250.195 257.477 1.00 0.00 C +ATOM 81 CA THR A 81 245.915 246.823 258.575 1.00 0.00 C +ATOM 82 CA LEU A 82 244.509 246.037 262.028 1.00 0.00 C +ATOM 83 CA HIS A 83 247.123 245.218 264.676 1.00 0.00 C +ATOM 84 CA SER A 84 249.989 247.727 264.689 1.00 0.00 C +ATOM 85 CA THR A 85 253.157 246.862 266.620 1.00 0.00 C +ATOM 86 CA THR A 86 255.128 243.698 265.829 1.00 0.00 C +ATOM 87 CA SER A 87 258.781 242.647 265.575 1.00 0.00 C +ATOM 88 CA GLU A 88 262.047 242.792 267.533 1.00 0.00 C +ATOM 89 CA GLY A 89 263.613 246.078 268.657 1.00 0.00 C +ATOM 90 CA ASN A 90 262.728 249.772 268.357 1.00 0.00 C +ATOM 91 CA LEU A 91 261.044 252.790 269.960 1.00 0.00 C +ATOM 92 CA SER A 92 257.515 253.965 269.137 1.00 0.00 C +ATOM 93 CA PRO A 93 256.422 257.132 270.950 1.00 0.00 C +ATOM 94 CA SER A 94 257.077 257.171 274.703 1.00 0.00 C +ATOM 95 CA GLN A 95 254.034 257.435 276.981 1.00 0.00 C +ATOM 96 CA VAL A 96 254.410 260.749 278.822 1.00 0.00 C +ATOM 97 CA TYR A 97 254.008 264.391 277.780 1.00 0.00 C +ATOM 98 CA THR A 98 252.432 267.857 277.630 1.00 0.00 C +ATOM 99 CA THR A 99 253.389 270.377 280.323 1.00 0.00 C +ATOM 100 CA SER A 100 256.040 269.903 283.018 1.00 0.00 C +ATOM 101 CA GLU A 101 259.554 269.981 284.488 1.00 0.00 C +ATOM 102 CA TYR A 102 262.056 267.373 283.285 1.00 0.00 C +ATOM 103 CA LEU A 103 260.616 264.194 281.755 1.00 0.00 C +ATOM 104 CA SER A 104 262.451 261.128 280.433 1.00 0.00 C +ATOM 105 CA GLN A 105 261.061 257.583 280.293 1.00 0.00 C +ATOM 106 CA SER A 106 258.127 255.614 281.717 1.00 0.00 C +ATOM 107 CA LEU A 107 258.935 251.921 282.198 1.00 0.00 C +ATOM 108 CA SER A 108 258.968 250.321 285.655 1.00 0.00 C +ATOM 109 CA PRO A 109 255.949 249.843 287.929 1.00 0.00 C +ATOM 110 CA SER A 110 254.021 249.983 291.212 1.00 0.00 C +ATOM 111 CA ASN A 111 250.471 248.601 291.192 1.00 0.00 C +ATOM 112 CA THR A 112 248.389 248.795 294.378 1.00 0.00 C +ATOM 113 CA THR A 113 247.150 251.664 296.557 1.00 0.00 C +ATOM 114 CA ARG A 114 247.888 255.195 295.329 1.00 0.00 C +ATOM 115 CA TRP A 115 247.339 258.258 297.527 1.00 0.00 C +TER 116 TRP A 115 +END diff --git a/Viruses/Q50GB8/Q50GB8.dcd b/Viruses/Q50GB8/Q50GB8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e7b283d4c2732563d2942d88e9fc963c8c01689c --- /dev/null +++ b/Viruses/Q50GB8/Q50GB8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:373c5290eadad99716f357a46e6ad9a56ce7009a9df8f923bbd73c5c4ac5a567 +size 14600276 diff --git a/Viruses/Q50GB8/top.pdb b/Viruses/Q50GB8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f4f8e1534f3ec1a5f8c02691d6b635919e57e39a --- /dev/null +++ b/Viruses/Q50GB8/top.pdb @@ -0,0 +1,119 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ALA A 1 295.341 243.351 235.567 1.00 0.00 C +ATOM 2 CA ILE A 2 299.108 243.107 236.083 1.00 0.00 C +ATOM 3 CA CYS A 3 302.784 242.653 235.186 1.00 0.00 C +ATOM 4 CA LYS A 4 305.007 240.757 232.742 1.00 0.00 C +ATOM 5 CA ARG A 5 303.040 238.756 230.165 1.00 0.00 C +ATOM 6 CA ILE A 6 300.207 236.209 230.191 1.00 0.00 C +ATOM 7 CA PRO A 7 296.922 237.497 231.629 1.00 0.00 C +ATOM 8 CA ASN A 8 294.564 237.181 234.605 1.00 0.00 C +ATOM 9 CA LYS A 9 292.087 236.123 237.299 1.00 0.00 C +ATOM 10 CA LYS A 10 289.381 238.178 239.023 1.00 0.00 C +ATOM 11 CA PRO A 11 286.849 240.918 238.252 1.00 0.00 C +ATOM 12 CA GLY A 12 286.295 243.521 235.525 1.00 0.00 C +ATOM 13 CA LYS A 13 285.872 243.392 231.741 1.00 0.00 C +ATOM 14 CA ASN A 14 289.057 243.363 229.649 1.00 0.00 C +ATOM 15 CA SER A 15 288.365 240.844 226.876 1.00 0.00 C +ATOM 16 CA THR A 16 285.849 242.156 224.333 1.00 0.00 C +ATOM 17 CA THR A 17 283.917 243.651 221.409 1.00 0.00 C +ATOM 18 CA LYS A 18 283.039 246.096 218.622 1.00 0.00 C +ATOM 19 CA PRO A 19 284.386 248.302 215.824 1.00 0.00 C +ATOM 20 CA THR A 20 285.530 251.681 214.486 1.00 0.00 C +ATOM 21 CA ARG A 21 283.434 254.639 213.314 1.00 0.00 C +ATOM 22 CA LYS A 22 279.652 254.582 213.774 1.00 0.00 C +ATOM 23 CA PRO A 23 278.617 256.984 216.544 1.00 0.00 C +ATOM 24 CA THR A 24 277.447 257.347 220.152 1.00 0.00 C +ATOM 25 CA ILE A 25 274.615 256.790 222.639 1.00 0.00 C +ATOM 26 CA LYS A 26 271.210 257.317 224.265 1.00 0.00 C +ATOM 27 CA THR A 27 268.718 258.164 221.511 1.00 0.00 C +ATOM 28 CA THR A 28 265.011 258.065 222.385 1.00 0.00 C +ATOM 29 CA LYS A 29 263.524 254.635 221.649 1.00 0.00 C +ATOM 30 CA LYS A 30 261.708 253.096 224.624 1.00 0.00 C +ATOM 31 CA ASP A 31 260.391 252.012 228.031 1.00 0.00 C +ATOM 32 CA LEU A 32 262.517 251.418 231.136 1.00 0.00 C +ATOM 33 CA LYS A 33 264.718 252.402 234.087 1.00 0.00 C +ATOM 34 CA PRO A 34 266.674 252.999 237.301 1.00 0.00 C +ATOM 35 CA GLN A 35 268.392 252.655 240.685 1.00 0.00 C +ATOM 36 CA THR A 36 268.281 254.961 243.716 1.00 0.00 C +ATOM 37 CA THR A 37 267.962 258.697 243.045 1.00 0.00 C +ATOM 38 CA LYS A 38 264.294 259.622 243.495 1.00 0.00 C +ATOM 39 CA PRO A 39 264.011 260.694 247.140 1.00 0.00 C +ATOM 40 CA LYS A 40 261.310 260.951 249.816 1.00 0.00 C +ATOM 41 CA GLU A 41 258.928 258.039 250.419 1.00 0.00 C +ATOM 42 CA VAL A 42 256.686 255.014 250.997 1.00 0.00 C +ATOM 43 CA LEU A 43 253.104 254.067 251.886 1.00 0.00 C +ATOM 44 CA THR A 44 250.984 256.504 249.866 1.00 0.00 C +ATOM 45 CA THR A 45 249.539 260.010 249.501 1.00 0.00 C +ATOM 46 CA LYS A 46 245.811 259.576 250.157 1.00 0.00 C +ATOM 47 CA PRO A 47 243.230 258.454 252.725 1.00 0.00 C +ATOM 48 CA THR A 48 242.010 260.261 255.850 1.00 0.00 C +ATOM 49 CA GLU A 49 242.333 258.998 259.430 1.00 0.00 C +ATOM 50 CA LYS A 50 238.929 258.269 260.977 1.00 0.00 C +ATOM 51 CA PRO A 51 235.587 257.764 262.737 1.00 0.00 C +ATOM 52 CA THR A 52 233.687 259.732 265.389 1.00 0.00 C +ATOM 53 CA ILE A 53 231.776 259.008 268.605 1.00 0.00 C +ATOM 54 CA ASN A 54 229.520 261.981 269.372 1.00 0.00 C +ATOM 55 CA THR A 55 227.664 264.778 271.174 1.00 0.00 C +ATOM 56 CA THR A 56 225.481 265.544 274.201 1.00 0.00 C +ATOM 57 CA ARG A 57 221.966 266.845 273.515 1.00 0.00 C +ATOM 58 CA THR A 58 221.670 270.609 273.003 1.00 0.00 C +ATOM 59 CA LYS A 59 223.907 272.324 270.440 1.00 0.00 C +ATOM 60 CA ILE A 60 223.517 272.996 266.710 1.00 0.00 C +ATOM 61 CA GLY A 61 226.851 274.363 265.472 1.00 0.00 C +ATOM 62 CA THR A 62 229.387 275.415 262.830 1.00 0.00 C +ATOM 63 CA THR A 63 231.947 276.033 260.077 1.00 0.00 C +ATOM 64 CA LEU A 64 233.949 272.993 258.953 1.00 0.00 C +ATOM 65 CA LEU A 65 233.064 269.288 258.881 1.00 0.00 C +ATOM 66 CA THR A 66 232.625 266.459 256.367 1.00 0.00 C +ATOM 67 CA THR A 67 232.440 265.827 252.614 1.00 0.00 C +ATOM 68 CA ASN A 68 231.059 262.554 251.236 1.00 0.00 C +ATOM 69 CA THR A 69 229.977 260.187 254.018 1.00 0.00 C +ATOM 70 CA THR A 70 228.587 257.109 255.782 1.00 0.00 C +ATOM 71 CA GLY A 71 228.022 253.854 257.679 1.00 0.00 C +ATOM 72 CA ASN A 72 230.633 251.416 256.354 1.00 0.00 C +ATOM 73 CA LEU A 73 232.388 252.665 253.212 1.00 0.00 C +ATOM 74 CA GLU A 74 231.517 251.862 249.591 1.00 0.00 C +ATOM 75 CA TYR A 75 234.731 250.534 248.034 1.00 0.00 C +ATOM 76 CA THR A 76 237.492 248.984 250.153 1.00 0.00 C +ATOM 77 CA SER A 77 240.817 249.317 248.322 1.00 0.00 C +ATOM 78 CA GLN A 78 242.045 247.460 245.230 1.00 0.00 C +ATOM 79 CA LYS A 79 244.647 248.264 242.566 1.00 0.00 C +ATOM 80 CA GLU A 80 248.045 246.611 243.059 1.00 0.00 C +ATOM 81 CA THR A 81 250.758 245.252 245.363 1.00 0.00 C +ATOM 82 CA LEU A 82 251.690 247.999 247.833 1.00 0.00 C +ATOM 83 CA HIS A 83 252.756 246.695 251.250 1.00 0.00 C +ATOM 84 CA SER A 84 250.480 244.368 253.230 1.00 0.00 C +ATOM 85 CA THR A 85 247.479 243.353 255.347 1.00 0.00 C +ATOM 86 CA SER A 86 244.045 243.926 253.798 1.00 0.00 C +ATOM 87 CA PRO A 87 241.110 241.902 255.141 1.00 0.00 C +ATOM 88 CA GLU A 88 239.799 238.695 253.556 1.00 0.00 C +ATOM 89 CA GLY A 89 240.136 234.906 253.333 1.00 0.00 C +ATOM 90 CA ASN A 90 243.187 232.699 253.914 1.00 0.00 C +ATOM 91 CA PRO A 91 246.788 231.456 254.004 1.00 0.00 C +ATOM 92 CA SER A 92 249.154 230.431 256.808 1.00 0.00 C +ATOM 93 CA PRO A 93 248.226 227.766 259.368 1.00 0.00 C +ATOM 94 CA SER A 94 245.504 227.748 262.033 1.00 0.00 C +ATOM 95 CA GLN A 95 243.296 225.825 264.472 1.00 0.00 C +ATOM 96 CA VAL A 96 242.949 227.112 268.041 1.00 0.00 C +ATOM 97 CA TYR A 97 239.600 228.273 269.437 1.00 0.00 C +ATOM 98 CA THR A 98 236.850 230.746 268.522 1.00 0.00 C +ATOM 99 CA THR A 99 234.309 231.320 265.742 1.00 0.00 C +ATOM 100 CA SER A 100 231.195 232.735 264.064 1.00 0.00 C +ATOM 101 CA GLU A 101 228.383 232.229 266.585 1.00 0.00 C +ATOM 102 CA TYR A 102 225.712 232.370 269.297 1.00 0.00 C +ATOM 103 CA PRO A 103 222.035 231.841 270.143 1.00 0.00 C +ATOM 104 CA SER A 104 219.235 233.250 267.977 1.00 0.00 C +ATOM 105 CA GLN A 105 218.133 236.746 269.017 1.00 0.00 C +ATOM 106 CA PRO A 106 215.896 238.612 271.473 1.00 0.00 C +ATOM 107 CA PRO A 107 213.380 240.332 273.759 1.00 0.00 C +ATOM 108 CA SER A 108 210.870 242.869 272.426 1.00 0.00 C +ATOM 109 CA PRO A 109 209.774 246.203 273.909 1.00 0.00 C +ATOM 110 CA SER A 110 210.214 249.290 276.099 1.00 0.00 C +ATOM 111 CA ASN A 111 208.661 252.717 276.698 1.00 0.00 C +ATOM 112 CA THR A 112 208.942 254.190 280.201 1.00 0.00 C +ATOM 113 CA THR A 113 211.055 257.322 279.710 1.00 0.00 C +ATOM 114 CA ASN A 114 210.339 258.783 276.264 1.00 0.00 C +ATOM 115 CA GLU A 115 211.423 262.301 275.283 1.00 0.00 C +TER 116 GLU A 115 +END diff --git a/Viruses/Q50GC3/Q50GC3.dcd b/Viruses/Q50GC3/Q50GC3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..876bf62a0ea680454dc7c9424dd438557d60600e --- /dev/null +++ b/Viruses/Q50GC3/Q50GC3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ea6c96de9e1adfe329757bfe17a690fc3a6a7ba681a42bcf6e60c986778d5a4b +size 14600276 diff --git a/Viruses/Q50GC3/top.pdb b/Viruses/Q50GC3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1dd3f66f30c51987b495d491d35301b63e8dece1 --- /dev/null +++ b/Viruses/Q50GC3/top.pdb @@ -0,0 +1,119 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ALA A 1 234.803 284.105 262.070 1.00 0.00 C +ATOM 2 CA ILE A 2 235.818 280.813 263.698 1.00 0.00 C +ATOM 3 CA CYS A 3 235.458 277.093 264.436 1.00 0.00 C +ATOM 4 CA LYS A 4 234.679 274.599 261.663 1.00 0.00 C +ATOM 5 CA ARG A 5 235.331 274.220 257.928 1.00 0.00 C +ATOM 6 CA ILE A 6 232.281 273.768 255.689 1.00 0.00 C +ATOM 7 CA PRO A 7 230.786 275.317 252.545 1.00 0.00 C +ATOM 8 CA ASN A 8 229.183 273.995 249.352 1.00 0.00 C +ATOM 9 CA LYS A 9 225.748 272.347 249.427 1.00 0.00 C +ATOM 10 CA LYS A 10 223.717 271.508 246.314 1.00 0.00 C +ATOM 11 CA PRO A 11 223.454 273.501 243.077 1.00 0.00 C +ATOM 12 CA GLY A 12 222.487 277.113 243.810 1.00 0.00 C +ATOM 13 CA LYS A 13 224.997 279.225 245.748 1.00 0.00 C +ATOM 14 CA LYS A 14 227.951 281.509 246.507 1.00 0.00 C +ATOM 15 CA THR A 15 228.496 283.438 243.267 1.00 0.00 C +ATOM 16 CA PRO A 16 230.065 282.096 240.065 1.00 0.00 C +ATOM 17 CA ALA A 17 228.429 279.842 237.466 1.00 0.00 C +ATOM 18 CA LYS A 18 224.700 279.465 238.153 1.00 0.00 C +ATOM 19 CA PRO A 19 221.935 276.880 237.719 1.00 0.00 C +ATOM 20 CA THR A 20 218.654 275.533 236.328 1.00 0.00 C +ATOM 21 CA ARG A 21 215.726 277.641 235.102 1.00 0.00 C +ATOM 22 CA LYS A 22 211.987 276.914 235.180 1.00 0.00 C +ATOM 23 CA PRO A 23 209.370 274.836 233.350 1.00 0.00 C +ATOM 24 CA THR A 24 205.884 274.481 234.846 1.00 0.00 C +ATOM 25 CA ILE A 25 206.063 273.832 238.596 1.00 0.00 C +ATOM 26 CA LYS A 26 209.568 273.409 240.027 1.00 0.00 C +ATOM 27 CA THR A 27 209.845 270.588 242.573 1.00 0.00 C +ATOM 28 CA THR A 28 210.546 267.095 241.223 1.00 0.00 C +ATOM 29 CA LYS A 29 213.481 267.380 238.811 1.00 0.00 C +ATOM 30 CA LYS A 30 216.279 266.263 236.478 1.00 0.00 C +ATOM 31 CA ASP A 31 219.845 267.583 236.233 1.00 0.00 C +ATOM 32 CA LEU A 32 223.264 269.254 236.042 1.00 0.00 C +ATOM 33 CA GLU A 33 225.876 267.427 233.955 1.00 0.00 C +ATOM 34 CA PRO A 34 228.859 265.097 234.393 1.00 0.00 C +ATOM 35 CA GLN A 35 230.256 263.507 237.561 1.00 0.00 C +ATOM 36 CA THR A 36 232.125 264.590 240.699 1.00 0.00 C +ATOM 37 CA THR A 37 235.461 265.982 241.903 1.00 0.00 C +ATOM 38 CA LYS A 38 239.073 266.582 240.848 1.00 0.00 C +ATOM 39 CA PRO A 39 241.875 264.004 240.987 1.00 0.00 C +ATOM 40 CA LYS A 40 244.216 264.595 238.040 1.00 0.00 C +ATOM 41 CA GLU A 41 244.365 262.191 235.088 1.00 0.00 C +ATOM 42 CA VAL A 42 247.951 262.450 233.828 1.00 0.00 C +ATOM 43 CA LEU A 43 248.558 260.321 230.727 1.00 0.00 C +ATOM 44 CA THR A 44 248.572 262.216 227.423 1.00 0.00 C +ATOM 45 CA THR A 45 249.329 264.849 224.775 1.00 0.00 C +ATOM 46 CA LYS A 46 252.578 266.570 225.776 1.00 0.00 C +ATOM 47 CA PRO A 47 254.281 264.578 228.541 1.00 0.00 C +ATOM 48 CA THR A 48 257.529 262.621 228.174 1.00 0.00 C +ATOM 49 CA GLU A 49 261.222 262.511 227.244 1.00 0.00 C +ATOM 50 CA LYS A 50 263.952 260.561 229.050 1.00 0.00 C +ATOM 51 CA PRO A 51 267.359 261.296 227.510 1.00 0.00 C +ATOM 52 CA THR A 52 270.134 260.413 229.967 1.00 0.00 C +ATOM 53 CA ILE A 53 273.734 260.839 231.138 1.00 0.00 C +ATOM 54 CA ASN A 54 276.524 262.383 229.054 1.00 0.00 C +ATOM 55 CA THR A 55 279.866 264.096 228.412 1.00 0.00 C +ATOM 56 CA THR A 56 283.433 263.483 229.603 1.00 0.00 C +ATOM 57 CA LYS A 57 285.185 260.261 230.637 1.00 0.00 C +ATOM 58 CA THR A 58 285.440 256.491 230.151 1.00 0.00 C +ATOM 59 CA ASN A 59 285.115 252.717 229.738 1.00 0.00 C +ATOM 60 CA THR A 60 283.596 250.030 227.505 1.00 0.00 C +ATOM 61 CA ARG A 61 283.198 249.676 223.733 1.00 0.00 C +ATOM 62 CA THR A 62 285.695 247.614 221.725 1.00 0.00 C +ATOM 63 CA THR A 63 289.101 246.744 223.193 1.00 0.00 C +ATOM 64 CA LEU A 64 292.637 245.326 223.238 1.00 0.00 C +ATOM 65 CA LEU A 65 296.093 243.724 223.339 1.00 0.00 C +ATOM 66 CA THR A 66 297.365 243.418 226.917 1.00 0.00 C +ATOM 67 CA SER A 67 294.326 243.920 229.158 1.00 0.00 C +ATOM 68 CA ASN A 68 291.336 241.570 228.923 1.00 0.00 C +ATOM 69 CA THR A 69 288.563 240.605 231.351 1.00 0.00 C +ATOM 70 CA THR A 70 287.802 237.428 233.312 1.00 0.00 C +ATOM 71 CA GLY A 71 284.935 236.931 235.771 1.00 0.00 C +ATOM 72 CA ASN A 72 281.139 236.654 235.581 1.00 0.00 C +ATOM 73 CA PRO A 73 278.488 238.641 237.462 1.00 0.00 C +ATOM 74 CA GLU A 74 278.163 242.243 236.262 1.00 0.00 C +ATOM 75 CA HIS A 75 281.196 244.331 237.239 1.00 0.00 C +ATOM 76 CA THR A 76 281.403 244.353 241.044 1.00 0.00 C +ATOM 77 CA SER A 77 280.472 241.332 243.171 1.00 0.00 C +ATOM 78 CA GLN A 78 276.967 239.953 243.745 1.00 0.00 C +ATOM 79 CA LYS A 79 273.480 238.787 242.745 1.00 0.00 C +ATOM 80 CA GLU A 80 271.917 236.162 245.021 1.00 0.00 C +ATOM 81 CA THR A 81 269.800 233.617 246.907 1.00 0.00 C +ATOM 82 CA LEU A 82 266.666 235.220 248.364 1.00 0.00 C +ATOM 83 CA HIS A 83 265.644 237.333 251.366 1.00 0.00 C +ATOM 84 CA SER A 84 264.261 235.179 254.188 1.00 0.00 C +ATOM 85 CA THR A 85 262.735 233.894 257.434 1.00 0.00 C +ATOM 86 CA THR A 86 260.423 234.408 260.418 1.00 0.00 C +ATOM 87 CA SER A 87 261.985 233.648 263.809 1.00 0.00 C +ATOM 88 CA GLU A 88 259.414 232.866 266.509 1.00 0.00 C +ATOM 89 CA GLY A 89 257.321 229.853 267.536 1.00 0.00 C +ATOM 90 CA ASN A 90 257.196 227.140 270.209 1.00 0.00 C +ATOM 91 CA PRO A 91 257.594 228.822 273.604 1.00 0.00 C +ATOM 92 CA SER A 92 254.269 228.438 275.424 1.00 0.00 C +ATOM 93 CA PRO A 93 252.816 225.379 277.170 1.00 0.00 C +ATOM 94 CA SER A 94 249.129 224.642 276.554 1.00 0.00 C +ATOM 95 CA GLN A 95 246.438 227.067 277.734 1.00 0.00 C +ATOM 96 CA VAL A 96 244.973 225.863 281.039 1.00 0.00 C +ATOM 97 CA TYR A 97 243.149 225.628 284.376 1.00 0.00 C +ATOM 98 CA THR A 98 240.943 222.630 285.187 1.00 0.00 C +ATOM 99 CA THR A 99 240.363 219.133 283.791 1.00 0.00 C +ATOM 100 CA SER A 100 236.603 218.519 283.778 1.00 0.00 C +ATOM 101 CA GLU A 101 235.095 218.012 287.240 1.00 0.00 C +ATOM 102 CA TYR A 102 235.222 219.011 290.914 1.00 0.00 C +ATOM 103 CA LEU A 103 237.275 217.198 293.563 1.00 0.00 C +ATOM 104 CA SER A 104 236.557 216.099 297.140 1.00 0.00 C +ATOM 105 CA GLN A 105 238.955 213.426 298.411 1.00 0.00 C +ATOM 106 CA SER A 106 239.100 210.467 296.014 1.00 0.00 C +ATOM 107 CA PRO A 107 239.471 206.676 295.953 1.00 0.00 C +ATOM 108 CA SER A 108 241.979 204.491 294.095 1.00 0.00 C +ATOM 109 CA PRO A 109 245.604 205.345 293.292 1.00 0.00 C +ATOM 110 CA SER A 110 246.028 209.103 292.829 1.00 0.00 C +ATOM 111 CA ASN A 111 247.385 212.618 293.398 1.00 0.00 C +ATOM 112 CA THR A 112 250.280 214.652 291.986 1.00 0.00 C +ATOM 113 CA THR A 113 252.006 214.762 288.591 1.00 0.00 C +ATOM 114 CA ASN A 114 252.008 212.104 285.861 1.00 0.00 C +ATOM 115 CA GLN A 115 249.741 209.042 285.933 1.00 0.00 C +TER 116 GLN A 115 +END diff --git a/Viruses/Q50GD5/Q50GD5.dcd b/Viruses/Q50GD5/Q50GD5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a4e6e657c8065c8409e67f3bcb78cce8922e62c0 --- /dev/null +++ b/Viruses/Q50GD5/Q50GD5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2be78cf79f81b472870c9e20ea2abdf5a9eee78535f80247bf7cc68301749307 +size 14600276 diff --git a/Viruses/Q50GD5/top.pdb b/Viruses/Q50GD5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d2e4ffad1420e5a2e18bfb5a94c4d77c5d3162d2 --- /dev/null +++ b/Viruses/Q50GD5/top.pdb @@ -0,0 +1,119 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ALA A 1 235.474 208.472 332.828 1.00 0.00 C +ATOM 2 CA ILE A 2 236.317 211.941 331.497 1.00 0.00 C +ATOM 3 CA CYS A 3 239.572 213.711 330.610 1.00 0.00 C +ATOM 4 CA LYS A 4 241.957 211.126 329.145 1.00 0.00 C +ATOM 5 CA ARG A 5 243.880 210.162 326.000 1.00 0.00 C +ATOM 6 CA ILE A 6 245.027 207.539 323.486 1.00 0.00 C +ATOM 7 CA PRO A 7 244.179 204.007 322.336 1.00 0.00 C +ATOM 8 CA ASN A 8 244.377 201.540 319.439 1.00 0.00 C +ATOM 9 CA LYS A 9 242.890 202.982 316.242 1.00 0.00 C +ATOM 10 CA LYS A 10 244.482 201.545 313.092 1.00 0.00 C +ATOM 11 CA PRO A 11 244.593 198.276 311.139 1.00 0.00 C +ATOM 12 CA GLY A 12 244.044 198.189 307.369 1.00 0.00 C +ATOM 13 CA LYS A 13 243.386 199.675 303.924 1.00 0.00 C +ATOM 14 CA LYS A 14 244.417 201.342 300.656 1.00 0.00 C +ATOM 15 CA THR A 15 244.398 199.824 297.162 1.00 0.00 C +ATOM 16 CA THR A 16 245.773 197.595 294.395 1.00 0.00 C +ATOM 17 CA THR A 17 243.571 195.578 292.029 1.00 0.00 C +ATOM 18 CA LYS A 18 240.256 195.141 290.202 1.00 0.00 C +ATOM 19 CA PRO A 19 238.792 191.947 288.729 1.00 0.00 C +ATOM 20 CA THR A 20 239.984 188.628 287.286 1.00 0.00 C +ATOM 21 CA LYS A 21 242.109 186.013 285.509 1.00 0.00 C +ATOM 22 CA LYS A 22 244.255 187.925 283.007 1.00 0.00 C +ATOM 23 CA PRO A 23 247.287 187.107 280.850 1.00 0.00 C +ATOM 24 CA THR A 24 250.211 186.284 278.551 1.00 0.00 C +ATOM 25 CA ILE A 25 249.558 185.777 274.832 1.00 0.00 C +ATOM 26 CA LYS A 26 245.819 186.353 274.381 1.00 0.00 C +ATOM 27 CA THR A 27 245.219 189.902 273.133 1.00 0.00 C +ATOM 28 CA THR A 28 243.535 193.206 272.257 1.00 0.00 C +ATOM 29 CA LYS A 29 245.404 196.479 271.698 1.00 0.00 C +ATOM 30 CA LYS A 30 242.933 198.679 269.807 1.00 0.00 C +ATOM 31 CA ASP A 31 241.174 201.932 270.724 1.00 0.00 C +ATOM 32 CA ILE A 32 238.898 204.823 269.739 1.00 0.00 C +ATOM 33 CA LYS A 33 237.633 208.354 269.065 1.00 0.00 C +ATOM 34 CA PRO A 34 235.833 211.646 269.727 1.00 0.00 C +ATOM 35 CA GLN A 35 233.530 214.190 271.381 1.00 0.00 C +ATOM 36 CA THR A 36 232.438 216.640 274.088 1.00 0.00 C +ATOM 37 CA THR A 37 230.910 218.619 276.963 1.00 0.00 C +ATOM 38 CA LYS A 38 232.192 221.484 279.122 1.00 0.00 C +ATOM 39 CA GLN A 39 234.282 224.275 280.657 1.00 0.00 C +ATOM 40 CA LYS A 40 233.946 227.893 279.509 1.00 0.00 C +ATOM 41 CA GLU A 41 231.981 230.828 278.081 1.00 0.00 C +ATOM 42 CA VAL A 42 231.051 231.542 274.456 1.00 0.00 C +ATOM 43 CA LEU A 43 230.485 231.738 270.693 1.00 0.00 C +ATOM 44 CA PRO A 44 229.657 233.252 267.297 1.00 0.00 C +ATOM 45 CA THR A 45 228.606 236.687 266.026 1.00 0.00 C +ATOM 46 CA LYS A 46 230.021 238.988 263.339 1.00 0.00 C +ATOM 47 CA PRO A 47 232.593 238.311 260.611 1.00 0.00 C +ATOM 48 CA THR A 48 233.803 241.635 259.197 1.00 0.00 C +ATOM 49 CA GLU A 49 235.540 244.972 259.800 1.00 0.00 C +ATOM 50 CA LYS A 50 233.172 247.900 260.380 1.00 0.00 C +ATOM 51 CA PRO A 51 230.958 250.903 261.152 1.00 0.00 C +ATOM 52 CA THR A 52 228.249 253.577 261.305 1.00 0.00 C +ATOM 53 CA ILE A 53 228.250 255.982 258.350 1.00 0.00 C +ATOM 54 CA ASN A 54 231.551 257.496 257.198 1.00 0.00 C +ATOM 55 CA THR A 55 233.630 259.959 255.167 1.00 0.00 C +ATOM 56 CA PRO A 56 234.488 262.756 252.727 1.00 0.00 C +ATOM 57 CA LYS A 57 233.941 266.034 250.863 1.00 0.00 C +ATOM 58 CA THR A 58 234.083 266.630 247.102 1.00 0.00 C +ATOM 59 CA ASN A 59 233.282 267.385 243.455 1.00 0.00 C +ATOM 60 CA ILE A 60 232.381 270.855 242.165 1.00 0.00 C +ATOM 61 CA ARG A 61 231.364 274.519 241.928 1.00 0.00 C +ATOM 62 CA THR A 62 229.268 277.633 241.277 1.00 0.00 C +ATOM 63 CA THR A 63 228.941 281.051 242.928 1.00 0.00 C +ATOM 64 CA LEU A 64 228.487 284.702 241.938 1.00 0.00 C +ATOM 65 CA LEU A 65 231.994 286.056 241.315 1.00 0.00 C +ATOM 66 CA THR A 66 234.404 283.442 239.946 1.00 0.00 C +ATOM 67 CA THR A 67 234.167 282.883 236.184 1.00 0.00 C +ATOM 68 CA ASN A 68 234.208 284.501 232.735 1.00 0.00 C +ATOM 69 CA THR A 69 235.187 287.581 230.718 1.00 0.00 C +ATOM 70 CA THR A 70 238.082 290.059 230.672 1.00 0.00 C +ATOM 71 CA GLY A 71 239.318 292.619 233.208 1.00 0.00 C +ATOM 72 CA ASN A 72 239.101 292.534 237.011 1.00 0.00 C +ATOM 73 CA PRO A 73 241.885 292.262 239.597 1.00 0.00 C +ATOM 74 CA GLU A 74 245.174 290.532 240.439 1.00 0.00 C +ATOM 75 CA HIS A 75 248.723 290.293 239.074 1.00 0.00 C +ATOM 76 CA THR A 76 251.222 288.563 236.776 1.00 0.00 C +ATOM 77 CA SER A 77 254.123 286.566 238.228 1.00 0.00 C +ATOM 78 CA GLN A 78 255.826 283.563 239.839 1.00 0.00 C +ATOM 79 CA LYS A 79 259.203 283.375 238.084 1.00 0.00 C +ATOM 80 CA GLU A 80 261.203 283.754 234.864 1.00 0.00 C +ATOM 81 CA THR A 81 263.309 285.613 232.290 1.00 0.00 C +ATOM 82 CA LEU A 82 266.682 287.210 233.055 1.00 0.00 C +ATOM 83 CA HIS A 83 270.142 285.617 232.961 1.00 0.00 C +ATOM 84 CA SER A 84 272.022 287.324 230.121 1.00 0.00 C +ATOM 85 CA THR A 85 275.376 289.130 230.045 1.00 0.00 C +ATOM 86 CA SER A 86 277.926 287.377 227.821 1.00 0.00 C +ATOM 87 CA PHE A 87 279.494 283.925 228.194 1.00 0.00 C +ATOM 88 CA GLU A 88 281.944 281.944 226.052 1.00 0.00 C +ATOM 89 CA GLY A 89 281.520 279.989 222.809 1.00 0.00 C +ATOM 90 CA ASN A 90 283.267 281.439 219.749 1.00 0.00 C +ATOM 91 CA LEU A 91 284.912 279.274 217.080 1.00 0.00 C +ATOM 92 CA SER A 92 285.376 279.219 213.299 1.00 0.00 C +ATOM 93 CA PRO A 93 282.057 280.449 211.889 1.00 0.00 C +ATOM 94 CA SER A 94 278.740 280.026 210.062 1.00 0.00 C +ATOM 95 CA GLN A 95 277.527 277.226 207.781 1.00 0.00 C +ATOM 96 CA VAL A 96 274.174 275.439 207.492 1.00 0.00 C +ATOM 97 CA TYR A 97 271.154 274.924 205.228 1.00 0.00 C +ATOM 98 CA THR A 98 272.180 272.718 202.296 1.00 0.00 C +ATOM 99 CA THR A 99 271.837 274.717 199.071 1.00 0.00 C +ATOM 100 CA SER A 100 274.706 276.600 197.415 1.00 0.00 C +ATOM 101 CA GLU A 101 273.618 278.764 194.474 1.00 0.00 C +ATOM 102 CA TYR A 102 269.887 279.536 194.462 1.00 0.00 C +ATOM 103 CA LEU A 103 268.138 281.985 192.125 1.00 0.00 C +ATOM 104 CA SER A 104 270.108 284.501 190.050 1.00 0.00 C +ATOM 105 CA GLN A 105 268.932 287.445 187.938 1.00 0.00 C +ATOM 106 CA SER A 106 270.283 290.610 186.304 1.00 0.00 C +ATOM 107 CA PRO A 107 273.184 290.075 183.892 1.00 0.00 C +ATOM 108 CA SER A 108 274.559 288.048 180.974 1.00 0.00 C +ATOM 109 CA PRO A 109 275.136 287.701 177.224 1.00 0.00 C +ATOM 110 CA SER A 110 276.518 289.131 173.973 1.00 0.00 C +ATOM 111 CA ASN A 111 277.109 291.600 171.133 1.00 0.00 C +ATOM 112 CA THR A 112 279.193 294.721 170.475 1.00 0.00 C +ATOM 113 CA THR A 113 277.478 297.949 171.549 1.00 0.00 C +ATOM 114 CA ASN A 114 278.788 299.810 174.605 1.00 0.00 C +ATOM 115 CA TRP A 115 278.589 297.244 177.415 1.00 0.00 C +TER 116 TRP A 115 +END diff --git a/Viruses/Q52PR2/Q52PR2.dcd b/Viruses/Q52PR2/Q52PR2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..6827e63bd34a7f2d4191406c3837c22a26f9670b --- /dev/null +++ b/Viruses/Q52PR2/Q52PR2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:00ff1ae3d202fbbf443bf4246173e2bc8101879c1ba2ed3771b3e79ea364cedc +size 4760276 diff --git a/Viruses/Q52PR2/top.pdb b/Viruses/Q52PR2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..af58bb0f7ec3bdc3b2a9ba6a47dd53057480c5bf --- /dev/null +++ b/Viruses/Q52PR2/top.pdb @@ -0,0 +1,37 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 242.589 261.413 256.374 1.00 0.00 C +ATOM 2 CA ALA A 2 244.776 264.080 254.755 1.00 0.00 C +ATOM 3 CA ALA A 3 244.826 267.013 252.324 1.00 0.00 C +ATOM 4 CA SER A 4 247.858 268.714 250.764 1.00 0.00 C +ATOM 5 CA GLY A 5 251.045 267.350 252.345 1.00 0.00 C +ATOM 6 CA ILE A 6 253.850 266.545 254.794 1.00 0.00 C +ATOM 7 CA ALA A 7 253.016 264.217 257.693 1.00 0.00 C +ATOM 8 CA SER A 8 252.875 262.452 261.067 1.00 0.00 C +ATOM 9 CA THR A 9 251.784 259.449 263.141 1.00 0.00 C +ATOM 10 CA THR A 10 253.270 256.353 261.491 1.00 0.00 C +ATOM 11 CA ILE A 11 255.214 254.212 259.011 1.00 0.00 C +ATOM 12 CA PRO A 12 254.502 250.500 259.490 1.00 0.00 C +ATOM 13 CA SER A 13 251.497 249.210 257.534 1.00 0.00 C +ATOM 14 CA SER A 14 250.001 251.226 254.669 1.00 0.00 C +ATOM 15 CA ALA A 15 246.937 253.468 254.985 1.00 0.00 C +ATOM 16 CA ASN A 16 245.704 255.991 252.410 1.00 0.00 C +ATOM 17 CA ASP A 17 246.220 256.010 248.635 1.00 0.00 C +ATOM 18 CA VAL A 18 249.083 257.802 246.872 1.00 0.00 C +ATOM 19 CA GLU A 19 252.483 256.200 247.494 1.00 0.00 C +ATOM 20 CA SER A 20 255.335 254.678 245.478 1.00 0.00 C +ATOM 21 CA ASN A 21 254.289 251.578 243.526 1.00 0.00 C +ATOM 22 CA SER A 22 254.810 248.042 242.206 1.00 0.00 C +ATOM 23 CA THR A 23 256.768 245.913 244.686 1.00 0.00 C +ATOM 24 CA SER A 24 257.430 242.886 246.902 1.00 0.00 C +ATOM 25 CA GLU A 25 255.043 240.099 245.877 1.00 0.00 C +ATOM 26 CA ALA A 26 252.885 237.082 245.006 1.00 0.00 C +ATOM 27 CA THR A 27 250.625 237.288 241.945 1.00 0.00 C +ATOM 28 CA SER A 28 247.529 235.079 242.173 1.00 0.00 C +ATOM 29 CA ASN A 29 244.404 233.016 241.471 1.00 0.00 C +ATOM 30 CA ILE A 30 245.001 229.332 242.236 1.00 0.00 C +ATOM 31 CA GLY A 31 242.564 227.405 240.031 1.00 0.00 C +ATOM 32 CA ALA A 32 242.326 223.614 239.737 1.00 0.00 C +ATOM 33 CA LEU A 33 243.461 221.782 242.878 1.00 0.00 C +TER 34 LEU A 33 +END diff --git a/Viruses/Q52PS8/Q52PS8.dcd b/Viruses/Q52PS8/Q52PS8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..2566428881407661039d19bdff1b30b0fcdc6f94 --- /dev/null +++ b/Viruses/Q52PS8/Q52PS8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d433b8cf582ba8050066a8fb40e2400519a8dc7244498576024c40e24737d4ad +size 5480276 diff --git a/Viruses/Q52PS8/top.pdb b/Viruses/Q52PS8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f3c94fc9bb1ba6f491ed490d779c8c9533604283 --- /dev/null +++ b/Viruses/Q52PS8/top.pdb @@ -0,0 +1,43 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 254.139 267.060 256.730 1.00 0.00 C +ATOM 2 CA PRO A 2 250.706 267.811 255.258 1.00 0.00 C +ATOM 3 CA TRP A 3 247.451 268.209 257.198 1.00 0.00 C +ATOM 4 CA ALA A 4 245.615 271.530 256.865 1.00 0.00 C +ATOM 5 CA PRO A 5 245.929 275.183 255.829 1.00 0.00 C +ATOM 6 CA PRO A 6 248.133 276.195 252.890 1.00 0.00 C +ATOM 7 CA SER A 7 248.050 274.585 249.438 1.00 0.00 C +ATOM 8 CA ALA A 8 249.268 271.504 247.556 1.00 0.00 C +ATOM 9 CA ARG A 9 251.816 270.556 244.887 1.00 0.00 C +ATOM 10 CA SER A 10 251.369 268.050 242.052 1.00 0.00 C +ATOM 11 CA THR A 11 248.610 266.166 240.220 1.00 0.00 C +ATOM 12 CA THR A 12 245.321 266.375 242.131 1.00 0.00 C +ATOM 13 CA SER A 13 242.508 263.820 242.409 1.00 0.00 C +ATOM 14 CA ALA A 14 240.704 260.845 243.961 1.00 0.00 C +ATOM 15 CA ARG A 15 237.862 262.165 246.129 1.00 0.00 C +ATOM 16 CA THR A 16 235.761 259.265 247.430 1.00 0.00 C +ATOM 17 CA ALA A 17 236.379 255.653 246.389 1.00 0.00 C +ATOM 18 CA THR A 18 238.516 252.512 246.671 1.00 0.00 C +ATOM 19 CA SER A 19 241.407 250.175 245.836 1.00 0.00 C +ATOM 20 CA PRO A 20 243.017 247.952 248.478 1.00 0.00 C +ATOM 21 CA THR A 21 244.089 244.839 246.560 1.00 0.00 C +ATOM 22 CA SER A 22 243.166 241.145 246.450 1.00 0.00 C +ATOM 23 CA PRO A 23 245.574 238.704 244.789 1.00 0.00 C +ATOM 24 CA PRO A 24 247.343 236.927 247.658 1.00 0.00 C +ATOM 25 CA THR A 25 250.467 235.257 249.060 1.00 0.00 C +ATOM 26 CA SER A 26 251.192 233.116 252.128 1.00 0.00 C +ATOM 27 CA SER A 27 252.725 229.647 252.490 1.00 0.00 C +ATOM 28 CA ARG A 28 254.318 227.628 249.679 1.00 0.00 C +ATOM 29 CA PRO A 29 255.467 225.051 247.119 1.00 0.00 C +ATOM 30 CA LYS A 30 257.637 222.405 248.795 1.00 0.00 C +ATOM 31 CA PRO A 31 260.341 223.496 251.247 1.00 0.00 C +ATOM 32 CA ARG A 32 259.618 226.397 253.608 1.00 0.00 C +ATOM 33 CA ARG A 33 261.934 229.331 254.349 1.00 0.00 C +ATOM 34 CA PRO A 34 260.607 232.860 254.898 1.00 0.00 C +ATOM 35 CA THR A 35 259.853 236.123 256.715 1.00 0.00 C +ATOM 36 CA ALA A 36 260.791 239.301 258.595 1.00 0.00 C +ATOM 37 CA SER A 37 258.518 242.279 257.904 1.00 0.00 C +ATOM 38 CA SER A 38 260.101 244.509 255.251 1.00 0.00 C +ATOM 39 CA GLY A 39 263.700 245.372 254.346 1.00 0.00 C +TER 40 GLY A 39 +END diff --git a/Viruses/Q52RQ4/Q52RQ4.dcd b/Viruses/Q52RQ4/Q52RQ4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..fa674fac0f3b66a2abf0f2c419ddaa350b02cc47 --- /dev/null +++ b/Viruses/Q52RQ4/Q52RQ4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d0fac74aaedfbb40ca17cb92c8f2f8ef66f3fce3887d2d35c6b99f6d4a44f005 +size 6440276 diff --git a/Viruses/Q52RQ4/top.pdb b/Viruses/Q52RQ4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..990ad42b274a486e63915d4892330c7e822ad840 --- /dev/null +++ b/Viruses/Q52RQ4/top.pdb @@ -0,0 +1,51 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA TRP A 1 238.286 252.233 256.920 1.00 0.00 C +ATOM 2 CA GLY A 2 236.701 252.345 253.457 1.00 0.00 C +ATOM 3 CA LEU A 3 233.800 252.417 250.989 1.00 0.00 C +ATOM 4 CA THR A 4 231.580 252.837 247.921 1.00 0.00 C +ATOM 5 CA GLY A 5 230.487 251.684 244.459 1.00 0.00 C +ATOM 6 CA SER A 6 226.703 251.428 244.094 1.00 0.00 C +ATOM 7 CA ALA A 7 224.092 252.852 246.476 1.00 0.00 C +ATOM 8 CA THR A 8 225.153 252.614 250.127 1.00 0.00 C +ATOM 9 CA PRO A 9 225.451 249.955 252.840 1.00 0.00 C +ATOM 10 CA THR A 10 227.415 246.937 251.595 1.00 0.00 C +ATOM 11 CA PRO A 11 229.474 245.579 254.499 1.00 0.00 C +ATOM 12 CA THR A 12 233.146 244.841 253.804 1.00 0.00 C +ATOM 13 CA THR A 13 236.587 245.357 252.252 1.00 0.00 C +ATOM 14 CA THR A 14 238.382 244.861 248.928 1.00 0.00 C +ATOM 15 CA THR A 15 241.671 245.280 247.051 1.00 0.00 C +ATOM 16 CA THR A 16 241.504 244.686 243.291 1.00 0.00 C +ATOM 17 CA THR A 17 240.415 247.245 240.686 1.00 0.00 C +ATOM 18 CA SER A 18 238.901 250.716 240.272 1.00 0.00 C +ATOM 19 CA THR A 19 241.689 253.106 239.257 1.00 0.00 C +ATOM 20 CA THR A 20 245.151 251.834 240.210 1.00 0.00 C +ATOM 21 CA THR A 21 247.192 252.222 243.404 1.00 0.00 C +ATOM 22 CA SER A 22 250.801 251.002 243.411 1.00 0.00 C +ATOM 23 CA LYS A 23 254.249 249.444 243.861 1.00 0.00 C +ATOM 24 CA GLU A 24 257.988 248.853 243.429 1.00 0.00 C +ATOM 25 CA THR A 25 261.437 247.591 244.441 1.00 0.00 C +ATOM 26 CA ASN A 26 264.956 247.869 243.006 1.00 0.00 C +ATOM 27 CA VAL A 27 267.970 248.336 240.723 1.00 0.00 C +ATOM 28 CA VAL A 28 270.125 251.161 239.349 1.00 0.00 C +ATOM 29 CA ASN A 29 269.349 254.876 239.017 1.00 0.00 C +ATOM 30 CA GLU A 30 267.360 258.026 239.815 1.00 0.00 C +ATOM 31 CA THR A 31 267.459 261.834 239.750 1.00 0.00 C +ATOM 32 CA SER A 32 264.104 262.873 241.226 1.00 0.00 C +ATOM 33 CA SER A 33 261.601 261.754 243.872 1.00 0.00 C +ATOM 34 CA CYS A 34 261.730 258.338 245.554 1.00 0.00 C +ATOM 35 CA VAL A 35 262.113 257.156 249.156 1.00 0.00 C +ATOM 36 CA LYS A 36 262.335 253.359 248.941 1.00 0.00 C +ATOM 37 CA ASN A 37 262.636 250.363 251.275 1.00 0.00 C +ATOM 38 CA ASN A 38 262.910 250.875 255.040 1.00 0.00 C +ATOM 39 CA ASN A 39 263.572 250.385 258.760 1.00 0.00 C +ATOM 40 CA CYS A 40 261.127 250.110 261.670 1.00 0.00 C +ATOM 41 CA THR A 41 259.145 249.142 264.776 1.00 0.00 C +ATOM 42 CA GLY A 42 259.035 246.227 267.226 1.00 0.00 C +ATOM 43 CA LEU A 43 258.924 245.263 270.911 1.00 0.00 C +ATOM 44 CA GLU A 44 261.301 242.306 271.254 1.00 0.00 C +ATOM 45 CA GLN A 45 260.658 238.896 269.679 1.00 0.00 C +ATOM 46 CA GLU A 46 260.091 237.366 266.237 1.00 0.00 C +ATOM 47 CA PRO A 47 263.247 235.567 265.089 1.00 0.00 C +TER 48 PRO A 47 +END diff --git a/Viruses/Q52RR1/Q52RR1.dcd b/Viruses/Q52RR1/Q52RR1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b852e5a7021c942bf98a4a1b45d326e39b2352d5 --- /dev/null +++ b/Viruses/Q52RR1/Q52RR1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ab36137ff34a0231683459240519de72274d79db49f6d38af4b5a81c65b86d23 +size 6560276 diff --git a/Viruses/Q52RR1/top.pdb b/Viruses/Q52RR1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7cae78a38f087902b6ba75add4a433d602e63686 --- /dev/null +++ b/Viruses/Q52RR1/top.pdb @@ -0,0 +1,52 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA TRP A 1 218.230 286.045 224.169 1.00 0.00 C +ATOM 2 CA GLY A 2 218.847 282.936 226.282 1.00 0.00 C +ATOM 3 CA LEU A 3 220.375 282.892 229.773 1.00 0.00 C +ATOM 4 CA THR A 4 221.514 279.520 231.133 1.00 0.00 C +ATOM 5 CA GLY A 5 225.237 279.062 231.800 1.00 0.00 C +ATOM 6 CA ASN A 6 227.119 277.565 234.755 1.00 0.00 C +ATOM 7 CA ALA A 7 229.459 274.877 233.407 1.00 0.00 C +ATOM 8 CA THR A 8 231.899 271.977 233.802 1.00 0.00 C +ATOM 9 CA PRO A 9 235.231 270.816 235.239 1.00 0.00 C +ATOM 10 CA THR A 10 235.207 267.905 237.697 1.00 0.00 C +ATOM 11 CA PRO A 11 232.162 265.630 237.423 1.00 0.00 C +ATOM 12 CA THR A 12 229.999 262.519 237.024 1.00 0.00 C +ATOM 13 CA THR A 13 231.388 259.293 238.500 1.00 0.00 C +ATOM 14 CA ALA A 14 233.728 257.462 240.885 1.00 0.00 C +ATOM 15 CA THR A 15 235.627 255.371 243.442 1.00 0.00 C +ATOM 16 CA THR A 16 238.116 256.813 245.940 1.00 0.00 C +ATOM 17 CA ALA A 17 241.878 256.213 245.987 1.00 0.00 C +ATOM 18 CA SER A 18 244.872 253.861 246.132 1.00 0.00 C +ATOM 19 CA THR A 19 245.736 251.866 249.261 1.00 0.00 C +ATOM 20 CA THR A 20 248.915 253.064 250.986 1.00 0.00 C +ATOM 21 CA THR A 21 251.736 253.690 248.502 1.00 0.00 C +ATOM 22 CA PRO A 22 253.347 257.127 248.175 1.00 0.00 C +ATOM 23 CA LYS A 23 255.105 260.408 247.361 1.00 0.00 C +ATOM 24 CA GLY A 24 258.490 261.421 248.786 1.00 0.00 C +ATOM 25 CA ARG A 25 261.526 259.682 250.293 1.00 0.00 C +ATOM 26 CA ALA A 26 262.028 257.112 253.060 1.00 0.00 C +ATOM 27 CA ASN A 27 259.416 254.339 252.960 1.00 0.00 C +ATOM 28 CA VAL A 28 260.841 251.336 254.822 1.00 0.00 C +ATOM 29 CA VAL A 29 263.678 248.931 255.648 1.00 0.00 C +ATOM 30 CA ASN A 30 266.989 248.804 257.530 1.00 0.00 C +ATOM 31 CA GLU A 31 268.605 245.750 259.134 1.00 0.00 C +ATOM 32 CA THR A 32 270.329 242.560 257.965 1.00 0.00 C +ATOM 33 CA SER A 33 273.204 240.341 256.813 1.00 0.00 C +ATOM 34 CA SER A 34 273.614 236.696 257.845 1.00 0.00 C +ATOM 35 CA CYS A 35 271.177 233.790 258.200 1.00 0.00 C +ATOM 36 CA VAL A 36 269.991 232.914 261.713 1.00 0.00 C +ATOM 37 CA LYS A 37 268.187 234.165 264.826 1.00 0.00 C +ATOM 38 CA ASN A 38 266.118 234.714 267.979 1.00 0.00 C +ATOM 39 CA ASN A 39 263.075 232.448 267.639 1.00 0.00 C +ATOM 40 CA ASN A 40 260.971 231.548 264.593 1.00 0.00 C +ATOM 41 CA CYS A 41 260.084 227.846 264.759 1.00 0.00 C +ATOM 42 CA THR A 42 261.227 224.732 262.885 1.00 0.00 C +ATOM 43 CA GLY A 43 259.144 221.550 263.109 1.00 0.00 C +ATOM 44 CA LEU A 44 257.019 218.501 262.272 1.00 0.00 C +ATOM 45 CA GLU A 45 259.049 215.380 261.464 1.00 0.00 C +ATOM 46 CA GLN A 46 259.073 212.783 264.251 1.00 0.00 C +ATOM 47 CA GLU A 47 259.730 209.378 265.830 1.00 0.00 C +ATOM 48 CA PRO A 48 260.707 206.367 267.950 1.00 0.00 C +TER 49 PRO A 48 +END diff --git a/Viruses/Q52RR8/Q52RR8.dcd b/Viruses/Q52RR8/Q52RR8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..35c82194973af81b6bfaade68018bc342f50e292 --- /dev/null +++ b/Viruses/Q52RR8/Q52RR8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3bf9b361925b9e270bbe614e123036e585052b0a29951f68d95903b8460538a7 +size 6560276 diff --git a/Viruses/Q52RR8/top.pdb b/Viruses/Q52RR8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8848eb03ec23e069a2febfe07f0055b41fc84a84 --- /dev/null +++ b/Viruses/Q52RR8/top.pdb @@ -0,0 +1,52 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA TRP A 1 250.338 266.864 252.363 1.00 0.00 C +ATOM 2 CA GLY A 2 251.421 263.870 254.456 1.00 0.00 C +ATOM 3 CA LEU A 3 251.900 260.156 253.754 1.00 0.00 C +ATOM 4 CA THR A 4 252.586 256.812 252.063 1.00 0.00 C +ATOM 5 CA GLY A 5 252.931 253.158 253.087 1.00 0.00 C +ATOM 6 CA ASN A 6 255.459 251.484 255.394 1.00 0.00 C +ATOM 7 CA ALA A 7 257.699 248.520 254.550 1.00 0.00 C +ATOM 8 CA THR A 8 258.996 246.735 251.443 1.00 0.00 C +ATOM 9 CA THR A 9 261.536 245.042 249.164 1.00 0.00 C +ATOM 10 CA THR A 10 263.599 245.836 246.060 1.00 0.00 C +ATOM 11 CA THR A 11 261.212 247.354 243.507 1.00 0.00 C +ATOM 12 CA ALA A 12 262.907 246.721 240.154 1.00 0.00 C +ATOM 13 CA THR A 13 264.578 247.372 236.793 1.00 0.00 C +ATOM 14 CA THR A 14 267.613 247.845 234.539 1.00 0.00 C +ATOM 15 CA ALA A 15 271.341 247.088 234.747 1.00 0.00 C +ATOM 16 CA ALA A 16 272.860 244.089 236.541 1.00 0.00 C +ATOM 17 CA PRO A 17 272.894 240.405 235.569 1.00 0.00 C +ATOM 18 CA SER A 18 269.925 238.082 236.115 1.00 0.00 C +ATOM 19 CA THR A 19 267.361 236.305 238.303 1.00 0.00 C +ATOM 20 CA ARG A 20 264.254 237.013 240.393 1.00 0.00 C +ATOM 21 CA ASN A 21 260.825 235.506 241.088 1.00 0.00 C +ATOM 22 CA THR A 22 258.831 234.365 244.128 1.00 0.00 C +ATOM 23 CA LYS A 23 255.422 235.384 245.489 1.00 0.00 C +ATOM 24 CA SER A 24 251.929 235.470 247.009 1.00 0.00 C +ATOM 25 CA ASN A 25 249.425 233.782 244.685 1.00 0.00 C +ATOM 26 CA ARG A 26 245.916 235.159 245.241 1.00 0.00 C +ATOM 27 CA ASN A 27 242.403 236.184 244.181 1.00 0.00 C +ATOM 28 CA VAL A 28 240.707 238.368 246.803 1.00 0.00 C +ATOM 29 CA VAL A 29 242.833 241.446 247.529 1.00 0.00 C +ATOM 30 CA ASN A 30 241.625 245.045 247.211 1.00 0.00 C +ATOM 31 CA GLU A 31 238.709 247.286 246.214 1.00 0.00 C +ATOM 32 CA THR A 32 237.708 249.181 249.364 1.00 0.00 C +ATOM 33 CA SER A 33 237.136 247.708 252.831 1.00 0.00 C +ATOM 34 CA SER A 34 238.039 250.083 255.670 1.00 0.00 C +ATOM 35 CA CYS A 35 239.546 253.582 255.710 1.00 0.00 C +ATOM 36 CA VAL A 36 241.483 255.580 258.313 1.00 0.00 C +ATOM 37 CA LYS A 37 242.951 257.233 261.416 1.00 0.00 C +ATOM 38 CA ASN A 38 245.534 258.464 263.931 1.00 0.00 C +ATOM 39 CA ASN A 39 244.714 261.317 266.319 1.00 0.00 C +ATOM 40 CA ASN A 40 242.069 263.974 266.997 1.00 0.00 C +ATOM 41 CA CYS A 41 238.370 264.122 267.895 1.00 0.00 C +ATOM 42 CA THR A 42 236.214 267.082 266.841 1.00 0.00 C +ATOM 43 CA GLY A 43 235.436 266.975 263.113 1.00 0.00 C +ATOM 44 CA LEU A 44 235.363 265.330 259.677 1.00 0.00 C +ATOM 45 CA GLU A 45 234.814 262.557 257.123 1.00 0.00 C +ATOM 46 CA GLN A 46 232.130 261.045 254.881 1.00 0.00 C +ATOM 47 CA GLU A 47 229.957 262.474 252.096 1.00 0.00 C +ATOM 48 CA PRO A 48 228.501 264.549 249.252 1.00 0.00 C +TER 49 PRO A 48 +END diff --git a/Viruses/Q52RS0/Q52RS0.dcd b/Viruses/Q52RS0/Q52RS0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..bf243c411a6dbc045cf10ed75b70550b18c73476 --- /dev/null +++ b/Viruses/Q52RS0/Q52RS0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bb0c9e39f7fe151f6724722025e0243f7269c7ba0d65315562013db168a0f585 +size 6560276 diff --git a/Viruses/Q52RS0/top.pdb b/Viruses/Q52RS0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..eb77e00d932f631e91158bb204bab3db14e9d3bd --- /dev/null +++ b/Viruses/Q52RS0/top.pdb @@ -0,0 +1,52 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA TRP A 1 245.273 233.861 221.834 1.00 0.00 C +ATOM 2 CA GLY A 2 245.021 230.315 223.204 1.00 0.00 C +ATOM 3 CA LEU A 3 244.682 230.232 226.998 1.00 0.00 C +ATOM 4 CA THR A 4 243.795 233.508 228.727 1.00 0.00 C +ATOM 5 CA GLY A 5 240.475 234.171 230.476 1.00 0.00 C +ATOM 6 CA ASN A 6 237.905 232.097 232.376 1.00 0.00 C +ATOM 7 CA ALA A 7 234.550 231.873 234.168 1.00 0.00 C +ATOM 8 CA THR A 8 231.354 232.592 236.114 1.00 0.00 C +ATOM 9 CA THR A 9 232.076 232.530 239.854 1.00 0.00 C +ATOM 10 CA THR A 10 233.281 232.044 243.436 1.00 0.00 C +ATOM 11 CA THR A 11 233.343 235.351 245.327 1.00 0.00 C +ATOM 12 CA ALA A 12 235.269 236.956 248.196 1.00 0.00 C +ATOM 13 CA THR A 13 238.985 236.190 248.540 1.00 0.00 C +ATOM 14 CA THR A 14 241.961 235.349 250.766 1.00 0.00 C +ATOM 15 CA ALA A 15 245.324 236.054 252.410 1.00 0.00 C +ATOM 16 CA ALA A 16 245.957 233.755 255.382 1.00 0.00 C +ATOM 17 CA PRO A 17 248.323 230.772 255.237 1.00 0.00 C +ATOM 18 CA SER A 18 251.249 231.600 252.942 1.00 0.00 C +ATOM 19 CA THR A 19 254.516 231.251 254.872 1.00 0.00 C +ATOM 20 CA ARG A 20 255.595 232.980 258.091 1.00 0.00 C +ATOM 21 CA THR A 21 258.678 235.132 258.707 1.00 0.00 C +ATOM 22 CA PRO A 22 258.369 238.214 260.925 1.00 0.00 C +ATOM 23 CA LYS A 23 258.289 241.432 258.886 1.00 0.00 C +ATOM 24 CA GLY A 24 261.148 243.614 260.142 1.00 0.00 C +ATOM 25 CA ARG A 25 262.168 246.286 257.625 1.00 0.00 C +ATOM 26 CA ALA A 26 261.238 247.718 254.219 1.00 0.00 C +ATOM 27 CA ASP A 27 258.062 249.665 253.417 1.00 0.00 C +ATOM 28 CA VAL A 28 255.526 249.920 256.249 1.00 0.00 C +ATOM 29 CA VAL A 29 254.738 251.658 259.546 1.00 0.00 C +ATOM 30 CA ASN A 30 254.490 253.835 262.663 1.00 0.00 C +ATOM 31 CA GLU A 31 253.897 257.599 262.671 1.00 0.00 C +ATOM 32 CA THR A 32 252.174 259.509 259.861 1.00 0.00 C +ATOM 33 CA SER A 33 252.240 263.226 259.026 1.00 0.00 C +ATOM 34 CA SER A 34 251.139 265.013 262.206 1.00 0.00 C +ATOM 35 CA CYS A 35 249.638 268.329 261.080 1.00 0.00 C +ATOM 36 CA VAL A 36 250.862 271.850 260.291 1.00 0.00 C +ATOM 37 CA LYS A 37 249.923 274.249 257.484 1.00 0.00 C +ATOM 38 CA ASN A 38 252.278 275.630 254.827 1.00 0.00 C +ATOM 39 CA ASN A 39 255.640 276.229 256.515 1.00 0.00 C +ATOM 40 CA ASN A 40 258.485 277.043 254.114 1.00 0.00 C +ATOM 41 CA CYS A 41 258.075 279.966 251.706 1.00 0.00 C +ATOM 42 CA THR A 42 254.527 281.067 250.858 1.00 0.00 C +ATOM 43 CA GLY A 43 253.219 278.515 248.349 1.00 0.00 C +ATOM 44 CA LEU A 44 254.655 275.128 249.338 1.00 0.00 C +ATOM 45 CA GLU A 45 254.079 271.498 248.334 1.00 0.00 C +ATOM 46 CA GLN A 46 256.161 268.867 246.529 1.00 0.00 C +ATOM 47 CA GLU A 47 258.982 267.137 248.418 1.00 0.00 C +ATOM 48 CA PRO A 48 262.384 268.188 247.063 1.00 0.00 C +TER 49 PRO A 48 +END diff --git a/Viruses/Q52RS2/Q52RS2.dcd b/Viruses/Q52RS2/Q52RS2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..ddafa1799d228ef499296483307ec6784e9a3a49 --- /dev/null +++ b/Viruses/Q52RS2/Q52RS2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4c1567d1d2fbc6370f8ca928a8627dbe75998adc6a31ba681b1929e9b9e02a49 +size 6560276 diff --git a/Viruses/Q52RS2/top.pdb b/Viruses/Q52RS2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..28f012cee04c8a69d6ba953b0a11bcd452b6e06c --- /dev/null +++ b/Viruses/Q52RS2/top.pdb @@ -0,0 +1,52 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA TRP A 1 242.709 242.332 266.363 1.00 0.00 C +ATOM 2 CA GLY A 2 245.359 245.065 266.523 1.00 0.00 C +ATOM 3 CA LEU A 3 245.534 248.619 265.161 1.00 0.00 C +ATOM 4 CA THR A 4 242.011 250.042 264.873 1.00 0.00 C +ATOM 5 CA GLY A 5 238.461 249.680 266.209 1.00 0.00 C +ATOM 6 CA ASN A 6 235.538 249.129 263.829 1.00 0.00 C +ATOM 7 CA ALA A 7 233.059 247.992 261.168 1.00 0.00 C +ATOM 8 CA ALA A 8 232.001 246.762 257.721 1.00 0.00 C +ATOM 9 CA THR A 9 229.567 245.701 254.988 1.00 0.00 C +ATOM 10 CA THR A 10 229.429 248.504 252.412 1.00 0.00 C +ATOM 11 CA THR A 11 232.468 248.868 250.143 1.00 0.00 C +ATOM 12 CA THR A 12 235.271 247.056 248.305 1.00 0.00 C +ATOM 13 CA THR A 13 238.519 245.982 249.981 1.00 0.00 C +ATOM 14 CA THR A 14 241.423 243.515 249.944 1.00 0.00 C +ATOM 15 CA THR A 15 243.925 240.763 250.769 1.00 0.00 C +ATOM 16 CA THR A 16 247.212 241.096 248.871 1.00 0.00 C +ATOM 17 CA ALA A 17 246.703 241.811 245.163 1.00 0.00 C +ATOM 18 CA SER A 18 243.685 239.938 243.786 1.00 0.00 C +ATOM 19 CA THR A 19 242.237 238.277 240.678 1.00 0.00 C +ATOM 20 CA THR A 20 242.131 239.636 237.120 1.00 0.00 C +ATOM 21 CA THR A 21 243.728 242.301 234.915 1.00 0.00 C +ATOM 22 CA PRO A 22 246.376 244.162 236.924 1.00 0.00 C +ATOM 23 CA LYS A 23 248.179 247.503 236.593 1.00 0.00 C +ATOM 24 CA GLY A 24 248.945 249.477 233.426 1.00 0.00 C +ATOM 25 CA ARG A 25 252.572 249.947 232.357 1.00 0.00 C +ATOM 26 CA SER A 26 254.868 250.502 235.346 1.00 0.00 C +ATOM 27 CA ASP A 27 254.858 252.772 238.406 1.00 0.00 C +ATOM 28 CA VAL A 28 258.028 253.752 240.279 1.00 0.00 C +ATOM 29 CA VAL A 29 261.548 252.761 241.349 1.00 0.00 C +ATOM 30 CA ASN A 30 263.927 255.729 241.558 1.00 0.00 C +ATOM 31 CA GLU A 31 262.783 259.249 240.653 1.00 0.00 C +ATOM 32 CA THR A 32 260.312 261.331 242.671 1.00 0.00 C +ATOM 33 CA SER A 33 259.227 259.489 245.825 1.00 0.00 C +ATOM 34 CA SER A 34 258.107 256.322 247.623 1.00 0.00 C +ATOM 35 CA CYS A 35 255.113 257.035 249.869 1.00 0.00 C +ATOM 36 CA VAL A 36 251.866 256.161 251.660 1.00 0.00 C +ATOM 37 CA LYS A 37 251.281 253.761 254.560 1.00 0.00 C +ATOM 38 CA ASN A 38 251.522 253.321 258.337 1.00 0.00 C +ATOM 39 CA ASN A 39 253.286 252.545 261.624 1.00 0.00 C +ATOM 40 CA ASN A 40 256.294 250.349 260.820 1.00 0.00 C +ATOM 41 CA CYS A 41 257.220 251.313 257.252 1.00 0.00 C +ATOM 42 CA THR A 42 257.555 253.649 254.261 1.00 0.00 C +ATOM 43 CA GLY A 43 260.973 253.954 252.605 1.00 0.00 C +ATOM 44 CA LEU A 44 264.708 253.381 253.095 1.00 0.00 C +ATOM 45 CA GLU A 45 266.238 255.592 255.793 1.00 0.00 C +ATOM 46 CA GLN A 46 269.952 256.394 255.504 1.00 0.00 C +ATOM 47 CA GLU A 47 270.637 258.972 252.784 1.00 0.00 C +ATOM 48 CA PRO A 48 272.657 257.508 249.904 1.00 0.00 C +TER 49 PRO A 48 +END diff --git a/Viruses/Q52RT5/Q52RT5.dcd b/Viruses/Q52RT5/Q52RT5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..4bb110f0ea87e3526c75b7e3329b507efc680039 --- /dev/null +++ b/Viruses/Q52RT5/Q52RT5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:490b97b28e32dc6f61360faec853d79afa4fb625078eb31fff731da111d20b36 +size 6200276 diff --git a/Viruses/Q52RT5/top.pdb b/Viruses/Q52RT5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9e004825c2be73e1ca1cc1e9c09864feb135a88f --- /dev/null +++ b/Viruses/Q52RT5/top.pdb @@ -0,0 +1,49 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA TRP A 1 260.191 251.240 226.016 1.00 0.00 C +ATOM 2 CA GLY A 2 263.052 253.748 226.217 1.00 0.00 C +ATOM 3 CA LEU A 3 262.935 256.729 228.586 1.00 0.00 C +ATOM 4 CA THR A 4 262.755 258.123 232.127 1.00 0.00 C +ATOM 5 CA GLY A 5 262.076 261.421 233.911 1.00 0.00 C +ATOM 6 CA ASN A 6 260.746 263.731 236.633 1.00 0.00 C +ATOM 7 CA ALA A 7 257.518 265.288 235.342 1.00 0.00 C +ATOM 8 CA THR A 8 255.190 267.598 233.401 1.00 0.00 C +ATOM 9 CA THR A 9 252.306 265.635 231.872 1.00 0.00 C +ATOM 10 CA THR A 10 248.972 264.484 233.314 1.00 0.00 C +ATOM 11 CA THR A 11 246.592 261.867 234.728 1.00 0.00 C +ATOM 12 CA ALA A 12 248.515 260.107 237.506 1.00 0.00 C +ATOM 13 CA THR A 13 252.222 259.259 237.265 1.00 0.00 C +ATOM 14 CA ALA A 14 255.461 259.801 239.197 1.00 0.00 C +ATOM 15 CA SER A 15 256.175 260.477 242.878 1.00 0.00 C +ATOM 16 CA THR A 16 256.152 258.916 246.353 1.00 0.00 C +ATOM 17 CA THR A 17 257.857 258.502 249.735 1.00 0.00 C +ATOM 18 CA THR A 18 256.527 255.230 251.164 1.00 0.00 C +ATOM 19 CA PRO A 19 257.088 252.020 249.191 1.00 0.00 C +ATOM 20 CA LYS A 20 259.507 249.862 251.194 1.00 0.00 C +ATOM 21 CA GLU A 21 258.916 247.357 254.003 1.00 0.00 C +ATOM 22 CA GLY A 22 256.562 246.243 256.784 1.00 0.00 C +ATOM 23 CA ALA A 23 254.803 248.278 259.483 1.00 0.00 C +ATOM 24 CA ASP A 24 251.596 249.693 260.975 1.00 0.00 C +ATOM 25 CA VAL A 25 251.347 253.281 259.716 1.00 0.00 C +ATOM 26 CA VAL A 26 249.144 254.647 256.924 1.00 0.00 C +ATOM 27 CA ASN A 27 246.910 252.497 254.709 1.00 0.00 C +ATOM 28 CA GLU A 28 247.492 250.012 251.880 1.00 0.00 C +ATOM 29 CA THR A 29 244.982 247.146 251.901 1.00 0.00 C +ATOM 30 CA SER A 30 243.106 246.059 255.034 1.00 0.00 C +ATOM 31 CA SER A 31 244.642 246.990 258.394 1.00 0.00 C +ATOM 32 CA CYS A 32 246.754 245.838 261.348 1.00 0.00 C +ATOM 33 CA VAL A 33 244.932 243.683 263.908 1.00 0.00 C +ATOM 34 CA LYS A 34 246.616 240.357 264.693 1.00 0.00 C +ATOM 35 CA ASP A 35 248.170 237.721 262.422 1.00 0.00 C +ATOM 36 CA ASN A 36 245.806 236.188 259.858 1.00 0.00 C +ATOM 37 CA ASN A 37 244.806 236.238 256.181 1.00 0.00 C +ATOM 38 CA CYS A 38 241.671 234.081 255.979 1.00 0.00 C +ATOM 39 CA THR A 39 238.650 232.428 257.609 1.00 0.00 C +ATOM 40 CA GLY A 40 236.900 234.265 260.452 1.00 0.00 C +ATOM 41 CA LEU A 41 235.515 237.727 261.234 1.00 0.00 C +ATOM 42 CA GLU A 42 234.089 239.814 264.084 1.00 0.00 C +ATOM 43 CA GLN A 43 234.219 238.572 267.684 1.00 0.00 C +ATOM 44 CA GLU A 44 234.300 234.792 268.154 1.00 0.00 C +ATOM 45 CA PRO A 45 236.238 232.053 269.959 1.00 0.00 C +TER 46 PRO A 45 +END diff --git a/Viruses/Q52RT9/Q52RT9.dcd b/Viruses/Q52RT9/Q52RT9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..2f015091c5b62f89f9ebb473dc7cc642f27481a9 --- /dev/null +++ b/Viruses/Q52RT9/Q52RT9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c714aaaf73f0310602f4ab9b9023e496d8413908a61881a3dd7850b0a1be43c6 +size 6440276 diff --git a/Viruses/Q52RT9/top.pdb b/Viruses/Q52RT9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0f028ce615bf29d62136e7bea4b53f2c28f69520 --- /dev/null +++ b/Viruses/Q52RT9/top.pdb @@ -0,0 +1,51 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA TRP A 1 252.621 250.367 262.592 1.00 0.00 C +ATOM 2 CA GLY A 2 249.011 251.307 263.366 1.00 0.00 C +ATOM 3 CA LEU A 3 249.278 254.563 265.326 1.00 0.00 C +ATOM 4 CA THR A 4 252.446 256.290 266.550 1.00 0.00 C +ATOM 5 CA GLY A 5 254.686 257.042 269.539 1.00 0.00 C +ATOM 6 CA ASN A 6 256.386 255.374 272.513 1.00 0.00 C +ATOM 7 CA ALA A 7 259.017 252.626 272.308 1.00 0.00 C +ATOM 8 CA THR A 8 262.364 251.227 273.471 1.00 0.00 C +ATOM 9 CA THR A 9 265.117 253.026 271.547 1.00 0.00 C +ATOM 10 CA THR A 10 265.734 255.993 269.238 1.00 0.00 C +ATOM 11 CA THR A 11 263.881 259.243 269.962 1.00 0.00 C +ATOM 12 CA ALA A 12 263.845 261.704 267.053 1.00 0.00 C +ATOM 13 CA THR A 13 266.890 261.512 264.771 1.00 0.00 C +ATOM 14 CA THR A 14 267.404 262.418 261.106 1.00 0.00 C +ATOM 15 CA ALA A 15 270.597 263.009 259.112 1.00 0.00 C +ATOM 16 CA ALA A 16 270.569 260.257 256.476 1.00 0.00 C +ATOM 17 CA PRO A 17 267.941 257.515 256.776 1.00 0.00 C +ATOM 18 CA SER A 18 267.836 253.799 255.939 1.00 0.00 C +ATOM 19 CA THR A 19 264.576 252.221 254.757 1.00 0.00 C +ATOM 20 CA THR A 20 262.150 251.266 251.979 1.00 0.00 C +ATOM 21 CA THR A 21 260.523 247.972 252.988 1.00 0.00 C +ATOM 22 CA PRO A 22 257.183 246.371 252.096 1.00 0.00 C +ATOM 23 CA LYS A 23 256.390 244.888 248.677 1.00 0.00 C +ATOM 24 CA GLU A 24 254.362 241.689 248.270 1.00 0.00 C +ATOM 25 CA THR A 25 250.619 241.069 247.915 1.00 0.00 C +ATOM 26 CA ASN A 26 247.575 242.218 249.897 1.00 0.00 C +ATOM 27 CA VAL A 27 244.558 240.842 248.019 1.00 0.00 C +ATOM 28 CA VAL A 28 244.207 237.225 246.875 1.00 0.00 C +ATOM 29 CA ASN A 29 247.154 235.281 245.443 1.00 0.00 C +ATOM 30 CA GLU A 30 248.648 234.187 242.113 1.00 0.00 C +ATOM 31 CA THR A 31 249.568 231.677 239.398 1.00 0.00 C +ATOM 32 CA SER A 32 249.817 232.405 235.667 1.00 0.00 C +ATOM 33 CA SER A 33 247.817 235.405 234.433 1.00 0.00 C +ATOM 34 CA CYS A 34 246.440 238.656 235.864 1.00 0.00 C +ATOM 35 CA VAL A 35 243.127 240.536 235.953 1.00 0.00 C +ATOM 36 CA LYS A 36 241.271 242.920 238.274 1.00 0.00 C +ATOM 37 CA ASP A 37 238.457 245.053 239.705 1.00 0.00 C +ATOM 38 CA ASN A 38 236.462 247.595 241.724 1.00 0.00 C +ATOM 39 CA ASN A 39 233.293 249.609 241.077 1.00 0.00 C +ATOM 40 CA CYS A 40 230.751 250.793 238.498 1.00 0.00 C +ATOM 41 CA THR A 41 231.070 253.797 236.176 1.00 0.00 C +ATOM 42 CA GLY A 42 231.039 255.665 232.856 1.00 0.00 C +ATOM 43 CA LEU A 43 229.279 256.053 229.499 1.00 0.00 C +ATOM 44 CA GLU A 44 229.030 259.058 227.170 1.00 0.00 C +ATOM 45 CA GLN A 45 226.521 259.264 224.311 1.00 0.00 C +ATOM 46 CA GLU A 46 223.012 259.091 225.786 1.00 0.00 C +ATOM 47 CA PRO A 47 219.476 259.922 226.935 1.00 0.00 C +TER 48 PRO A 47 +END diff --git a/Viruses/Q52RW0/Q52RW0.dcd b/Viruses/Q52RW0/Q52RW0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c0861d2cc399c7af83200a6bc9a565ee0871b33f --- /dev/null +++ b/Viruses/Q52RW0/Q52RW0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6f6a032dae2245102ef116e840b6cedf358ad3bc2c6d4f330f49e6f713010f22 +size 6080276 diff --git a/Viruses/Q52RW0/top.pdb b/Viruses/Q52RW0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9c4fcf84fd987994569ec6ae4b29aabb33e091d1 --- /dev/null +++ b/Viruses/Q52RW0/top.pdb @@ -0,0 +1,48 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA TRP A 1 262.384 254.978 245.835 1.00 0.00 C +ATOM 2 CA GLY A 2 259.298 255.504 243.663 1.00 0.00 C +ATOM 3 CA LEU A 3 256.306 253.200 243.159 1.00 0.00 C +ATOM 4 CA THR A 4 253.667 252.617 245.844 1.00 0.00 C +ATOM 5 CA GLY A 5 249.987 253.179 246.655 1.00 0.00 C +ATOM 6 CA ASN A 6 246.696 252.011 245.131 1.00 0.00 C +ATOM 7 CA VAL A 7 243.934 250.914 247.516 1.00 0.00 C +ATOM 8 CA PRO A 8 243.784 247.125 247.149 1.00 0.00 C +ATOM 9 CA THR A 9 241.539 245.781 244.380 1.00 0.00 C +ATOM 10 CA THR A 10 240.819 242.066 243.932 1.00 0.00 C +ATOM 11 CA THR A 11 239.100 239.339 245.963 1.00 0.00 C +ATOM 12 CA VAL A 12 235.482 238.223 245.536 1.00 0.00 C +ATOM 13 CA PRO A 13 231.982 237.664 246.934 1.00 0.00 C +ATOM 14 CA THR A 14 230.573 238.839 250.273 1.00 0.00 C +ATOM 15 CA ALA A 15 230.593 240.121 253.861 1.00 0.00 C +ATOM 16 CA THR A 16 233.160 242.767 254.822 1.00 0.00 C +ATOM 17 CA PRO A 17 235.015 244.508 251.987 1.00 0.00 C +ATOM 18 CA SER A 18 236.314 248.036 252.604 1.00 0.00 C +ATOM 19 CA LYS A 19 233.925 250.570 254.149 1.00 0.00 C +ATOM 20 CA GLU A 20 233.374 252.094 257.597 1.00 0.00 C +ATOM 21 CA THR A 21 236.359 254.325 258.390 1.00 0.00 C +ATOM 22 CA ALA A 22 236.062 256.984 261.103 1.00 0.00 C +ATOM 23 CA ASN A 23 236.540 258.281 264.653 1.00 0.00 C +ATOM 24 CA ALA A 24 240.127 259.115 265.627 1.00 0.00 C +ATOM 25 CA VAL A 25 243.538 257.627 266.445 1.00 0.00 C +ATOM 26 CA ASN A 26 244.176 254.808 263.962 1.00 0.00 C +ATOM 27 CA GLU A 27 247.337 253.603 262.210 1.00 0.00 C +ATOM 28 CA THR A 28 249.365 253.767 258.989 1.00 0.00 C +ATOM 29 CA SER A 29 251.238 253.776 255.671 1.00 0.00 C +ATOM 30 CA SER A 30 252.266 251.339 252.929 1.00 0.00 C +ATOM 31 CA ARG A 31 254.436 248.668 254.566 1.00 0.00 C +ATOM 32 CA ILE A 32 256.593 245.659 253.666 1.00 0.00 C +ATOM 33 CA LYS A 33 258.177 243.473 250.978 1.00 0.00 C +ATOM 34 CA ASN A 34 258.332 244.793 247.407 1.00 0.00 C +ATOM 35 CA ASN A 35 258.218 248.493 246.506 1.00 0.00 C +ATOM 36 CA ASN A 36 260.978 249.222 243.983 1.00 0.00 C +ATOM 37 CA CYS A 37 264.761 249.212 243.524 1.00 0.00 C +ATOM 38 CA THR A 38 267.853 249.684 241.349 1.00 0.00 C +ATOM 39 CA GLY A 39 271.403 249.011 242.558 1.00 0.00 C +ATOM 40 CA LEU A 40 274.015 251.732 243.097 1.00 0.00 C +ATOM 41 CA GLU A 41 275.746 252.573 239.809 1.00 0.00 C +ATOM 42 CA PRO A 42 277.192 256.093 239.988 1.00 0.00 C +ATOM 43 CA GLU A 43 275.058 259.126 239.114 1.00 0.00 C +ATOM 44 CA GLN A 44 272.300 259.098 236.485 1.00 0.00 C +TER 45 GLN A 44 +END diff --git a/Viruses/Q52S07/Q52S07.dcd b/Viruses/Q52S07/Q52S07.dcd new file mode 100644 index 0000000000000000000000000000000000000000..ca7a3af14334ba0c86bace25082e7e3de81bb1b3 --- /dev/null +++ b/Viruses/Q52S07/Q52S07.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:982589c92f27cdb1d174938e54fc23665b299338df1f56851a2dbf3d156f6d77 +size 6080276 diff --git a/Viruses/Q52S07/top.pdb b/Viruses/Q52S07/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2e8b750e68e92d0c766216a16e36ac21a04bb474 --- /dev/null +++ b/Viruses/Q52S07/top.pdb @@ -0,0 +1,48 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA TRP A 1 270.441 250.782 263.375 1.00 0.00 C +ATOM 2 CA GLY A 2 267.240 248.920 264.271 1.00 0.00 C +ATOM 3 CA LEU A 3 264.516 247.613 266.592 1.00 0.00 C +ATOM 4 CA THR A 4 261.340 249.698 266.877 1.00 0.00 C +ATOM 5 CA GLY A 5 258.948 250.552 264.037 1.00 0.00 C +ATOM 6 CA ASN A 6 260.105 248.555 261.005 1.00 0.00 C +ATOM 7 CA VAL A 7 261.846 247.594 257.755 1.00 0.00 C +ATOM 8 CA PRO A 8 264.263 247.056 254.860 1.00 0.00 C +ATOM 9 CA THR A 9 262.931 248.628 251.655 1.00 0.00 C +ATOM 10 CA THR A 10 262.943 248.501 247.847 1.00 0.00 C +ATOM 11 CA THR A 11 263.547 251.225 245.252 1.00 0.00 C +ATOM 12 CA ALA A 12 260.438 253.282 244.467 1.00 0.00 C +ATOM 13 CA THR A 13 258.183 254.022 241.486 1.00 0.00 C +ATOM 14 CA THR A 14 254.769 252.579 242.370 1.00 0.00 C +ATOM 15 CA SER A 15 253.449 249.023 242.019 1.00 0.00 C +ATOM 16 CA THR A 16 251.320 245.873 242.259 1.00 0.00 C +ATOM 17 CA THR A 17 250.733 244.560 245.787 1.00 0.00 C +ATOM 18 CA THR A 18 247.744 242.197 245.750 1.00 0.00 C +ATOM 19 CA PRO A 19 244.457 240.991 247.253 1.00 0.00 C +ATOM 20 CA GLN A 20 243.175 239.068 250.282 1.00 0.00 C +ATOM 21 CA GLU A 21 240.171 241.096 251.455 1.00 0.00 C +ATOM 22 CA THR A 22 239.186 244.729 250.860 1.00 0.00 C +ATOM 23 CA ASP A 23 237.259 247.980 251.343 1.00 0.00 C +ATOM 24 CA VAL A 24 235.670 249.264 254.559 1.00 0.00 C +ATOM 25 CA VAL A 25 237.792 251.397 256.896 1.00 0.00 C +ATOM 26 CA ASN A 26 240.318 252.518 259.520 1.00 0.00 C +ATOM 27 CA GLU A 27 244.032 252.269 260.329 1.00 0.00 C +ATOM 28 CA THR A 28 247.254 250.417 259.490 1.00 0.00 C +ATOM 29 CA SER A 29 249.534 248.973 256.800 1.00 0.00 C +ATOM 30 CA SER A 30 253.132 248.586 255.609 1.00 0.00 C +ATOM 31 CA CYS A 31 254.383 252.162 255.201 1.00 0.00 C +ATOM 32 CA VAL A 32 256.667 254.445 253.180 1.00 0.00 C +ATOM 33 CA LYS A 33 254.609 256.283 250.553 1.00 0.00 C +ATOM 34 CA ASN A 34 251.019 255.356 249.676 1.00 0.00 C +ATOM 35 CA ASN A 35 249.310 254.624 246.350 1.00 0.00 C +ATOM 36 CA ASN A 36 246.288 253.891 244.149 1.00 0.00 C +ATOM 37 CA CYS A 37 242.932 254.006 242.349 1.00 0.00 C +ATOM 38 CA THR A 38 242.065 250.881 240.351 1.00 0.00 C +ATOM 39 CA GLY A 39 240.350 248.824 237.640 1.00 0.00 C +ATOM 40 CA LEU A 40 236.613 249.082 236.944 1.00 0.00 C +ATOM 41 CA GLU A 41 234.870 251.986 238.689 1.00 0.00 C +ATOM 42 CA ALA A 42 234.574 255.664 237.741 1.00 0.00 C +ATOM 43 CA GLU A 43 234.376 257.513 234.416 1.00 0.00 C +ATOM 44 CA PRO A 44 235.205 257.334 230.701 1.00 0.00 C +TER 45 PRO A 44 +END diff --git a/Viruses/Q53AF0/Q53AF0.dcd b/Viruses/Q53AF0/Q53AF0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..9beaecb458f81c94eba538fa3ba9e7cb0509efe8 --- /dev/null +++ b/Viruses/Q53AF0/Q53AF0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:beffa3159f4d13e861a955f31fa8d94282e709cf3777359ef2249a32b0e864a8 +size 5720276 diff --git a/Viruses/Q53AF0/top.pdb b/Viruses/Q53AF0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e4e712352f184bf5d805bd52a3642dfa12ca43fb --- /dev/null +++ b/Viruses/Q53AF0/top.pdb @@ -0,0 +1,45 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ASN A 1 210.608 241.724 236.278 1.00 0.00 C +ATOM 2 CA ARG A 2 213.162 239.596 238.140 1.00 0.00 C +ATOM 3 CA PRO A 3 216.854 240.326 238.729 1.00 0.00 C +ATOM 4 CA GLU A 4 218.813 243.370 237.540 1.00 0.00 C +ATOM 5 CA PHE A 5 220.497 246.415 235.987 1.00 0.00 C +ATOM 6 CA THR A 6 223.802 248.307 236.077 1.00 0.00 C +ATOM 7 CA GLU A 7 227.543 247.652 236.378 1.00 0.00 C +ATOM 8 CA ARG A 8 230.301 245.571 234.771 1.00 0.00 C +ATOM 9 CA SER A 9 233.686 245.232 233.055 1.00 0.00 C +ATOM 10 CA PHE A 10 236.942 246.622 231.648 1.00 0.00 C +ATOM 11 CA GLY A 11 239.218 249.625 232.205 1.00 0.00 C +ATOM 12 CA GLY A 12 241.979 250.508 234.677 1.00 0.00 C +ATOM 13 CA THR A 13 244.617 249.381 237.185 1.00 0.00 C +ATOM 14 CA GLY A 14 248.064 248.111 238.196 1.00 0.00 C +ATOM 15 CA ARG A 15 251.186 246.145 237.244 1.00 0.00 C +ATOM 16 CA LYS A 16 250.103 242.592 236.397 1.00 0.00 C +ATOM 17 CA VAL A 17 251.789 239.188 236.109 1.00 0.00 C +ATOM 18 CA SER A 18 251.493 237.083 239.271 1.00 0.00 C +ATOM 19 CA VAL A 19 254.256 237.094 241.894 1.00 0.00 C +ATOM 20 CA THR A 20 255.326 240.487 243.257 1.00 0.00 C +ATOM 21 CA SER A 21 255.341 244.271 243.703 1.00 0.00 C +ATOM 22 CA GLN A 22 255.205 246.075 247.056 1.00 0.00 C +ATOM 23 CA SER A 23 255.317 247.218 250.689 1.00 0.00 C +ATOM 24 CA GLY A 24 255.734 244.675 253.495 1.00 0.00 C +ATOM 25 CA LYS A 25 257.730 245.055 256.718 1.00 0.00 C +ATOM 26 CA VAL A 26 259.470 246.428 259.816 1.00 0.00 C +ATOM 27 CA ILE A 27 261.222 247.835 262.893 1.00 0.00 C +ATOM 28 CA SER A 28 259.376 250.252 265.189 1.00 0.00 C +ATOM 29 CA SER A 29 259.064 249.390 268.887 1.00 0.00 C +ATOM 30 CA TRP A 30 262.532 249.975 270.351 1.00 0.00 C +ATOM 31 CA GLU A 31 264.448 251.952 272.986 1.00 0.00 C +ATOM 32 CA SER A 32 267.307 253.877 271.361 1.00 0.00 C +ATOM 33 CA ASN A 33 265.778 256.969 269.743 1.00 0.00 C +ATOM 34 CA LYS A 34 263.669 260.062 269.035 1.00 0.00 C +ATOM 35 CA SER A 35 264.667 263.171 270.998 1.00 0.00 C +ATOM 36 CA GLY A 36 265.827 266.736 270.316 1.00 0.00 C +ATOM 37 CA GLY A 37 267.757 269.086 268.020 1.00 0.00 C +ATOM 38 CA GLU A 38 270.098 269.732 265.085 1.00 0.00 C +ATOM 39 CA THR A 39 271.419 269.790 261.511 1.00 0.00 C +ATOM 40 CA ARG A 40 273.127 267.951 258.645 1.00 0.00 C +ATOM 41 CA LEU A 41 274.671 264.472 258.465 1.00 0.00 C +TER 42 LEU A 41 +END diff --git a/Viruses/Q53AG3/Q53AG3.dcd b/Viruses/Q53AG3/Q53AG3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..25f84cf192ff26dc2f93cfb012452b939bda3a80 --- /dev/null +++ b/Viruses/Q53AG3/Q53AG3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d8908c6e06320c29c86940997b39f7c586c4abfaf4992126e20f605986036c5e +size 5720276 diff --git a/Viruses/Q53AG3/top.pdb b/Viruses/Q53AG3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5f5bda912714edd6c294b6a871170adeb2e8d0ef --- /dev/null +++ b/Viruses/Q53AG3/top.pdb @@ -0,0 +1,45 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ARG A 1 270.014 266.114 252.391 1.00 0.00 C +ATOM 2 CA ARG A 2 269.107 267.767 255.702 1.00 0.00 C +ATOM 3 CA PRO A 3 267.044 267.984 258.898 1.00 0.00 C +ATOM 4 CA LYS A 4 265.265 265.367 261.020 1.00 0.00 C +ATOM 5 CA PRO A 5 261.726 264.461 259.937 1.00 0.00 C +ATOM 6 CA ALA A 6 260.851 261.553 257.636 1.00 0.00 C +ATOM 7 CA GLN A 7 260.483 257.764 257.791 1.00 0.00 C +ATOM 8 CA HIS A 8 262.617 255.678 255.423 1.00 0.00 C +ATOM 9 CA ASN A 9 265.240 255.512 252.664 1.00 0.00 C +ATOM 10 CA LEU A 10 265.994 255.110 248.951 1.00 0.00 C +ATOM 11 CA GLY A 11 264.637 252.083 247.077 1.00 0.00 C +ATOM 12 CA GLY A 12 261.447 252.539 245.043 1.00 0.00 C +ATOM 13 CA THR A 13 258.464 252.081 247.368 1.00 0.00 C +ATOM 14 CA GLY A 14 258.322 252.191 251.174 1.00 0.00 C +ATOM 15 CA ARG A 15 255.305 253.942 252.705 1.00 0.00 C +ATOM 16 CA LYS A 16 252.022 252.015 252.530 1.00 0.00 C +ATOM 17 CA VAL A 17 248.754 250.085 252.862 1.00 0.00 C +ATOM 18 CA SER A 18 246.248 248.776 255.416 1.00 0.00 C +ATOM 19 CA VAL A 19 243.135 247.028 254.085 1.00 0.00 C +ATOM 20 CA THR A 20 239.997 244.934 253.553 1.00 0.00 C +ATOM 21 CA SER A 21 240.675 241.211 254.001 1.00 0.00 C +ATOM 22 CA GLN A 22 237.655 238.891 254.115 1.00 0.00 C +ATOM 23 CA SER A 23 237.175 237.318 250.678 1.00 0.00 C +ATOM 24 CA GLY A 24 237.759 239.756 247.810 1.00 0.00 C +ATOM 25 CA LYS A 25 240.604 239.013 245.387 1.00 0.00 C +ATOM 26 CA VAL A 26 243.912 239.759 247.123 1.00 0.00 C +ATOM 27 CA VAL A 27 247.383 241.026 248.053 1.00 0.00 C +ATOM 28 CA SER A 28 250.982 240.872 249.293 1.00 0.00 C +ATOM 29 CA SER A 29 253.393 243.508 250.620 1.00 0.00 C +ATOM 30 CA TRP A 30 253.238 246.766 248.651 1.00 0.00 C +ATOM 31 CA GLU A 31 250.766 249.056 246.872 1.00 0.00 C +ATOM 32 CA SER A 32 248.351 251.720 245.613 1.00 0.00 C +ATOM 33 CA TYR A 33 244.723 251.070 244.648 1.00 0.00 C +ATOM 34 CA LYS A 34 244.674 248.990 241.456 1.00 0.00 C +ATOM 35 CA ASN A 35 242.475 247.177 238.928 1.00 0.00 C +ATOM 36 CA GLY A 36 239.467 245.198 240.176 1.00 0.00 C +ATOM 37 CA GLY A 37 236.061 243.975 241.366 1.00 0.00 C +ATOM 38 CA GLU A 38 233.306 242.452 243.512 1.00 0.00 C +ATOM 39 CA THR A 39 230.518 243.212 245.995 1.00 0.00 C +ATOM 40 CA ARG A 40 228.902 246.657 246.177 1.00 0.00 C +ATOM 41 CA LEU A 41 231.309 249.389 247.301 1.00 0.00 C +TER 42 LEU A 41 +END diff --git a/Viruses/Q53CQ0/Q53CQ0.dcd b/Viruses/Q53CQ0/Q53CQ0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..153c8bb1bf27b5f59dbc0d80353bb48d3d3d8763 --- /dev/null +++ b/Viruses/Q53CQ0/Q53CQ0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:938534afa8ed48431a97f6132800a35c75e8371a113a155e935d90214b67ad61 +size 18080276 diff --git a/Viruses/Q53CQ0/top.pdb b/Viruses/Q53CQ0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..80fb7bcedf9eaede7e861c05fa195f3649b1b55b --- /dev/null +++ b/Viruses/Q53CQ0/top.pdb @@ -0,0 +1,148 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 277.246 263.827 203.528 1.00 0.00 C +ATOM 2 CA PRO A 2 276.200 260.574 201.843 1.00 0.00 C +ATOM 3 CA GLY A 3 275.700 256.797 201.843 1.00 0.00 C +ATOM 4 CA GLY A 4 272.243 255.222 202.126 1.00 0.00 C +ATOM 5 CA GLY A 5 269.355 256.745 204.089 1.00 0.00 C +ATOM 6 CA ARG A 6 266.752 255.819 206.712 1.00 0.00 C +ATOM 7 CA PRO A 7 265.231 253.244 209.074 1.00 0.00 C +ATOM 8 CA ALA A 8 263.558 254.190 212.363 1.00 0.00 C +ATOM 9 CA SER A 9 260.712 251.893 213.432 1.00 0.00 C +ATOM 10 CA GLY A 10 257.555 249.782 213.731 1.00 0.00 C +ATOM 11 CA ALA A 11 256.878 248.424 217.227 1.00 0.00 C +ATOM 12 CA ALA A 12 253.361 247.168 217.978 1.00 0.00 C +ATOM 13 CA ARG A 13 251.065 244.165 217.506 1.00 0.00 C +ATOM 14 CA ARG A 14 250.224 241.998 214.487 1.00 0.00 C +ATOM 15 CA GLY A 15 250.554 238.761 212.506 1.00 0.00 C +ATOM 16 CA LEU A 16 248.519 238.037 209.367 1.00 0.00 C +ATOM 17 CA TRP A 17 245.142 236.445 210.128 1.00 0.00 C +ATOM 18 CA GLY A 18 245.731 234.132 213.098 1.00 0.00 C +ATOM 19 CA PRO A 19 244.100 231.529 215.352 1.00 0.00 C +ATOM 20 CA GLY A 20 246.065 229.759 218.094 1.00 0.00 C +ATOM 21 CA LEU A 21 247.578 228.300 221.272 1.00 0.00 C +ATOM 22 CA GLY A 22 249.106 224.813 221.121 1.00 0.00 C +ATOM 23 CA GLY A 23 249.613 221.539 219.239 1.00 0.00 C +ATOM 24 CA ARG A 24 250.108 217.856 218.400 1.00 0.00 C +ATOM 25 CA ARG A 25 247.609 214.999 218.734 1.00 0.00 C +ATOM 26 CA GLY A 26 244.007 213.781 218.492 1.00 0.00 C +ATOM 27 CA ALA A 27 241.428 211.287 219.773 1.00 0.00 C +ATOM 28 CA ALA A 28 238.165 209.813 218.471 1.00 0.00 C +ATOM 29 CA PRO A 29 234.660 210.515 219.789 1.00 0.00 C +ATOM 30 CA PRO A 30 233.316 207.978 222.294 1.00 0.00 C +ATOM 31 CA GLY A 31 230.031 207.473 224.157 1.00 0.00 C +ATOM 32 CA SER A 32 229.137 210.426 226.394 1.00 0.00 C +ATOM 33 CA ALA A 33 226.744 211.946 228.938 1.00 0.00 C +ATOM 34 CA GLY A 34 225.015 209.418 231.205 1.00 0.00 C +ATOM 35 CA PRO A 35 223.275 209.260 234.591 1.00 0.00 C +ATOM 36 CA GLY A 36 220.169 207.671 236.122 1.00 0.00 C +ATOM 37 CA ARG A 37 218.550 207.451 239.563 1.00 0.00 C +ATOM 38 CA SER A 38 217.721 210.055 242.218 1.00 0.00 C +ATOM 39 CA ARG A 39 216.651 212.325 245.085 1.00 0.00 C +ATOM 40 CA GLU A 40 216.984 214.810 247.954 1.00 0.00 C +ATOM 41 CA SER A 41 220.360 215.183 249.680 1.00 0.00 C +ATOM 42 CA ALA A 42 219.932 218.154 252.026 1.00 0.00 C +ATOM 43 CA GLY A 43 218.760 221.712 251.330 1.00 0.00 C +ATOM 44 CA PRO A 44 217.890 224.027 248.431 1.00 0.00 C +ATOM 45 CA GLY A 45 218.265 227.539 247.003 1.00 0.00 C +ATOM 46 CA GLY A 46 219.541 230.134 249.483 1.00 0.00 C +ATOM 47 CA ALA A 47 218.112 232.153 252.381 1.00 0.00 C +ATOM 48 CA GLY A 48 219.751 234.218 255.132 1.00 0.00 C +ATOM 49 CA PRO A 49 218.848 236.293 258.197 1.00 0.00 C +ATOM 50 CA GLY A 50 217.975 236.705 261.883 1.00 0.00 C +ATOM 51 CA GLY A 51 220.942 236.856 264.268 1.00 0.00 C +ATOM 52 CA GLY A 52 224.128 234.904 265.014 1.00 0.00 C +ATOM 53 CA PRO A 53 226.872 234.789 262.373 1.00 0.00 C +ATOM 54 CA GLY A 54 225.004 234.449 259.070 1.00 0.00 C +ATOM 55 CA PRO A 55 225.204 236.911 256.169 1.00 0.00 C +ATOM 56 CA PRO A 56 226.986 235.138 253.305 1.00 0.00 C +ATOM 57 CA ARG A 57 229.190 232.554 255.032 1.00 0.00 C +ATOM 58 CA ASP A 58 232.483 233.654 256.600 1.00 0.00 C +ATOM 59 CA PRO A 59 236.031 234.826 255.855 1.00 0.00 C +ATOM 60 CA ARG A 60 237.985 235.642 259.023 1.00 0.00 C +ATOM 61 CA PRO A 61 236.053 238.014 261.295 1.00 0.00 C +ATOM 62 CA ARG A 62 236.001 239.384 264.850 1.00 0.00 C +ATOM 63 CA GLU A 63 233.486 242.157 265.558 1.00 0.00 C +ATOM 64 CA PRO A 64 235.620 245.280 266.016 1.00 0.00 C +ATOM 65 CA LYS A 65 237.789 248.111 267.357 1.00 0.00 C +ATOM 66 CA ALA A 66 236.559 251.549 268.444 1.00 0.00 C +ATOM 67 CA ALA A 67 236.004 253.183 271.841 1.00 0.00 C +ATOM 68 CA ARG A 68 237.159 256.056 274.061 1.00 0.00 C +ATOM 69 CA ARG A 69 235.103 258.958 275.426 1.00 0.00 C +ATOM 70 CA ALA A 70 234.539 260.939 278.631 1.00 0.00 C +ATOM 71 CA ALA A 71 236.471 264.195 279.049 1.00 0.00 C +ATOM 72 CA ARG A 72 235.812 267.129 276.708 1.00 0.00 C +ATOM 73 CA GLY A 73 236.428 267.672 272.988 1.00 0.00 C +ATOM 74 CA GLY A 74 236.928 270.920 271.060 1.00 0.00 C +ATOM 75 CA ARG A 75 240.282 272.624 271.668 1.00 0.00 C +ATOM 76 CA GLY A 76 240.477 274.112 275.170 1.00 0.00 C +ATOM 77 CA ARG A 77 239.691 277.838 275.048 1.00 0.00 C +ATOM 78 CA ARG A 78 242.490 279.880 276.634 1.00 0.00 C +ATOM 79 CA PRO A 79 245.842 278.532 275.425 1.00 0.00 C +ATOM 80 CA ARG A 80 248.950 277.575 277.409 1.00 0.00 C +ATOM 81 CA ALA A 81 252.596 277.711 278.506 1.00 0.00 C +ATOM 82 CA ARG A 82 255.468 275.685 279.977 1.00 0.00 C +ATOM 83 CA ALA A 83 258.432 274.906 277.713 1.00 0.00 C +ATOM 84 CA GLY A 84 259.822 272.736 274.907 1.00 0.00 C +ATOM 85 CA ARG A 85 263.410 271.572 275.441 1.00 0.00 C +ATOM 86 CA ALA A 86 265.663 274.015 273.578 1.00 0.00 C +ATOM 87 CA GLU A 87 268.162 275.248 276.176 1.00 0.00 C +ATOM 88 CA GLY A 88 269.612 278.710 275.518 1.00 0.00 C +ATOM 89 CA ARG A 89 273.330 279.537 275.487 1.00 0.00 C +ATOM 90 CA GLU A 90 276.633 277.902 274.519 1.00 0.00 C +ATOM 91 CA PRO A 91 279.246 279.509 272.260 1.00 0.00 C +ATOM 92 CA GLY A 92 282.877 280.316 271.431 1.00 0.00 C +ATOM 93 CA GLU A 93 283.938 278.978 268.026 1.00 0.00 C +ATOM 94 CA ALA A 94 284.313 275.886 265.830 1.00 0.00 C +ATOM 95 CA GLY A 95 281.126 274.251 264.532 1.00 0.00 C +ATOM 96 CA GLY A 96 278.497 272.824 266.891 1.00 0.00 C +ATOM 97 CA ALA A 97 275.108 271.115 267.227 1.00 0.00 C +ATOM 98 CA PRO A 98 275.275 267.316 267.456 1.00 0.00 C +ATOM 99 CA LEU A 99 274.356 263.746 268.420 1.00 0.00 C +ATOM 100 CA GLY A 100 272.193 260.642 268.869 1.00 0.00 C +ATOM 101 CA GLY A 101 272.679 258.673 265.644 1.00 0.00 C +ATOM 102 CA PRO A 102 276.382 258.865 264.771 1.00 0.00 C +ATOM 103 CA GLY A 103 277.581 255.320 264.054 1.00 0.00 C +ATOM 104 CA ALA A 104 279.250 251.897 263.933 1.00 0.00 C +ATOM 105 CA ALA A 105 279.900 250.013 260.686 1.00 0.00 C +ATOM 106 CA ARG A 106 278.997 251.606 257.345 1.00 0.00 C +ATOM 107 CA GLU A 107 281.002 253.431 254.668 1.00 0.00 C +ATOM 108 CA THR A 108 282.750 255.809 252.257 1.00 0.00 C +ATOM 109 CA LEU A 109 285.216 258.490 251.142 1.00 0.00 C +ATOM 110 CA ALA A 110 287.780 261.197 251.930 1.00 0.00 C +ATOM 111 CA PRO A 111 288.346 262.224 255.555 1.00 0.00 C +ATOM 112 CA GLY A 112 285.373 262.708 257.888 1.00 0.00 C +ATOM 113 CA ALA A 113 281.643 262.471 258.629 1.00 0.00 C +ATOM 114 CA ARG A 114 279.342 264.956 260.374 1.00 0.00 C +ATOM 115 CA TRP A 115 276.086 266.095 258.758 1.00 0.00 C +ATOM 116 CA ARG A 116 273.086 267.976 257.350 1.00 0.00 C +ATOM 117 CA PRO A 117 272.339 266.641 253.861 1.00 0.00 C +ATOM 118 CA ARG A 118 269.302 266.592 251.560 1.00 0.00 C +ATOM 119 CA PRO A 119 265.683 266.330 250.398 1.00 0.00 C +ATOM 120 CA ARG A 120 262.291 267.517 251.661 1.00 0.00 C +ATOM 121 CA ALA A 121 259.228 265.255 251.802 1.00 0.00 C +ATOM 122 CA ALA A 122 257.911 265.558 255.364 1.00 0.00 C +ATOM 123 CA ALA A 123 256.315 262.800 257.453 1.00 0.00 C +ATOM 124 CA GLY A 124 256.363 259.426 259.221 1.00 0.00 C +ATOM 125 CA ARG A 125 255.342 256.043 257.796 1.00 0.00 C +ATOM 126 CA ALA A 126 256.712 253.516 255.295 1.00 0.00 C +ATOM 127 CA PRO A 127 254.783 252.748 252.100 1.00 0.00 C +ATOM 128 CA GLY A 128 252.060 254.971 250.630 1.00 0.00 C +ATOM 129 CA GLY A 129 250.733 257.204 253.418 1.00 0.00 C +ATOM 130 CA PRO A 130 248.677 254.988 255.737 1.00 0.00 C +ATOM 131 CA ARG A 131 244.981 255.218 256.635 1.00 0.00 C +ATOM 132 CA ARG A 132 242.387 255.203 259.425 1.00 0.00 C +ATOM 133 CA ALA A 133 243.698 257.286 262.333 1.00 0.00 C +ATOM 134 CA PRO A 134 241.965 260.665 262.023 1.00 0.00 C +ATOM 135 CA PRO A 135 243.717 263.146 259.723 1.00 0.00 C +ATOM 136 CA LEU A 136 245.312 266.186 258.071 1.00 0.00 C +ATOM 137 CA GLY A 137 243.361 267.406 255.035 1.00 0.00 C +ATOM 138 CA ALA A 138 244.198 269.403 251.900 1.00 0.00 C +ATOM 139 CA LEU A 139 243.976 268.904 248.130 1.00 0.00 C +ATOM 140 CA ALA A 140 243.100 266.419 245.377 1.00 0.00 C +ATOM 141 CA TRP A 141 241.708 262.958 246.149 1.00 0.00 C +ATOM 142 CA ARG A 142 241.082 259.625 244.412 1.00 0.00 C +ATOM 143 CA ARG A 143 239.434 256.297 245.264 1.00 0.00 C +ATOM 144 CA CYS A 144 235.872 257.181 246.289 1.00 0.00 C +TER 145 CYS A 144 +END diff --git a/Viruses/Q53Z31/Q53Z31.dcd b/Viruses/Q53Z31/Q53Z31.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b0d569f3ff3cf7aafffc7cde03af9f4d4650158b --- /dev/null +++ b/Viruses/Q53Z31/Q53Z31.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:44f415dd25b9becaa9dc69273d5695ae2914fcaab6044005868d42e99068b8be +size 9080276 diff --git a/Viruses/Q53Z31/top.pdb b/Viruses/Q53Z31/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e3c0b5cd0745e8a617dac38fc3a68012c110e130 --- /dev/null +++ b/Viruses/Q53Z31/top.pdb @@ -0,0 +1,73 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 238.259 251.023 201.087 1.00 0.00 C +ATOM 2 CA ARG A 2 235.225 248.725 200.902 1.00 0.00 C +ATOM 3 CA GLY A 3 234.658 245.074 201.834 1.00 0.00 C +ATOM 4 CA LEU A 4 236.391 242.471 204.011 1.00 0.00 C +ATOM 5 CA SER A 5 239.749 243.508 205.481 1.00 0.00 C +ATOM 6 CA MET A 6 239.947 241.689 208.823 1.00 0.00 C +ATOM 7 CA TYR A 7 237.931 238.457 208.913 1.00 0.00 C +ATOM 8 CA ALA A 8 234.354 237.826 210.063 1.00 0.00 C +ATOM 9 CA ARG A 9 233.069 236.630 213.445 1.00 0.00 C +ATOM 10 CA SER A 10 234.848 233.398 214.396 1.00 0.00 C +ATOM 11 CA PHE A 11 238.120 231.545 213.784 1.00 0.00 C +ATOM 12 CA GLU A 12 239.293 228.223 212.335 1.00 0.00 C +ATOM 13 CA ASN A 13 240.771 226.179 215.192 1.00 0.00 C +ATOM 14 CA PRO A 14 242.510 223.711 217.515 1.00 0.00 C +ATOM 15 CA GLY A 15 244.889 225.443 219.935 1.00 0.00 C +ATOM 16 CA GLN A 16 245.093 229.114 220.932 1.00 0.00 C +ATOM 17 CA TYR A 17 245.227 231.234 224.095 1.00 0.00 C +ATOM 18 CA SER A 18 242.172 231.838 226.290 1.00 0.00 C +ATOM 19 CA THR A 19 242.300 233.517 229.708 1.00 0.00 C +ATOM 20 CA ASN A 20 243.517 234.538 233.171 1.00 0.00 C +ATOM 21 CA SER A 21 246.607 235.472 235.195 1.00 0.00 C +ATOM 22 CA PRO A 22 246.184 237.331 238.494 1.00 0.00 C +ATOM 23 CA GLU A 23 244.663 239.631 241.123 1.00 0.00 C +ATOM 24 CA SER A 24 245.979 242.313 243.488 1.00 0.00 C +ATOM 25 CA ALA A 25 244.838 244.374 246.482 1.00 0.00 C +ATOM 26 CA ASN A 26 244.930 242.005 249.465 1.00 0.00 C +ATOM 27 CA GLY A 27 247.883 241.666 251.848 1.00 0.00 C +ATOM 28 CA ALA A 28 248.667 239.305 254.734 1.00 0.00 C +ATOM 29 CA HIS A 29 247.537 239.939 258.317 1.00 0.00 C +ATOM 30 CA ALA A 30 248.267 243.376 259.792 1.00 0.00 C +ATOM 31 CA ALA A 31 246.992 246.950 259.454 1.00 0.00 C +ATOM 32 CA ARG A 32 243.785 247.378 261.465 1.00 0.00 C +ATOM 33 CA PRO A 33 244.382 247.521 265.225 1.00 0.00 C +ATOM 34 CA THR A 34 244.961 247.009 268.956 1.00 0.00 C +ATOM 35 CA ARG A 35 248.027 247.120 271.214 1.00 0.00 C +ATOM 36 CA THR A 36 251.219 245.234 272.094 1.00 0.00 C +ATOM 37 CA ARG A 37 253.742 242.504 271.261 1.00 0.00 C +ATOM 38 CA LEU A 38 251.957 239.152 270.957 1.00 0.00 C +ATOM 39 CA LYS A 39 248.864 236.938 271.180 1.00 0.00 C +ATOM 40 CA THR A 40 248.729 233.136 270.982 1.00 0.00 C +ATOM 41 CA GLY A 41 252.152 231.540 270.477 1.00 0.00 C +ATOM 42 CA LYS A 42 254.646 232.985 272.968 1.00 0.00 C +ATOM 43 CA GLY A 43 257.641 234.399 271.084 1.00 0.00 C +ATOM 44 CA ARG A 44 259.438 236.470 268.439 1.00 0.00 C +ATOM 45 CA ASN A 45 259.806 240.227 268.958 1.00 0.00 C +ATOM 46 CA ALA A 46 259.261 243.996 268.846 1.00 0.00 C +ATOM 47 CA THR A 47 261.514 246.757 270.192 1.00 0.00 C +ATOM 48 CA PRO A 48 260.145 250.224 270.981 1.00 0.00 C +ATOM 49 CA THR A 49 257.266 251.886 269.118 1.00 0.00 C +ATOM 50 CA LYS A 50 257.744 255.659 268.884 1.00 0.00 C +ATOM 51 CA ARG A 51 255.370 257.091 271.498 1.00 0.00 C +ATOM 52 CA ASP A 52 255.935 260.773 272.295 1.00 0.00 C +ATOM 53 CA ARG A 53 255.445 263.521 274.889 1.00 0.00 C +ATOM 54 CA SER A 54 257.230 264.639 278.064 1.00 0.00 C +ATOM 55 CA LYS A 55 258.580 267.992 279.268 1.00 0.00 C +ATOM 56 CA LYS A 56 259.117 271.755 279.011 1.00 0.00 C +ATOM 57 CA VAL A 57 260.903 273.291 276.016 1.00 0.00 C +ATOM 58 CA LYS A 58 263.545 275.651 274.615 1.00 0.00 C +ATOM 59 CA TYR A 59 262.245 279.195 274.096 1.00 0.00 C +ATOM 60 CA GLY A 60 265.269 281.427 273.467 1.00 0.00 C +ATOM 61 CA ALA A 61 267.304 282.924 270.616 1.00 0.00 C +ATOM 62 CA ALA A 62 265.358 283.418 267.378 1.00 0.00 C +ATOM 63 CA ALA A 63 263.529 283.958 264.079 1.00 0.00 C +ATOM 64 CA GLY A 64 262.650 283.425 260.410 1.00 0.00 C +ATOM 65 CA TYR A 65 258.952 283.557 259.506 1.00 0.00 C +ATOM 66 CA GLY A 66 255.564 285.124 258.741 1.00 0.00 C +ATOM 67 CA SER A 67 255.316 288.913 258.438 1.00 0.00 C +ATOM 68 CA VAL A 68 257.121 292.023 257.179 1.00 0.00 C +ATOM 69 CA THR A 69 254.415 294.685 256.850 1.00 0.00 C +TER 70 THR A 69 +END diff --git a/Viruses/Q56BB1/Q56BB1.dcd b/Viruses/Q56BB1/Q56BB1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8a526ed6c2eb06b1bb6f0a29d09a129605fb32a9 --- /dev/null +++ b/Viruses/Q56BB1/Q56BB1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fa13c27b150ad068fcba54378dce6f6dd14d32e222180246838aacd92e4d1f24 +size 6080276 diff --git a/Viruses/Q56BB1/top.pdb b/Viruses/Q56BB1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..eb96335921cd1c1c4f41087e996478a324595107 --- /dev/null +++ b/Viruses/Q56BB1/top.pdb @@ -0,0 +1,48 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 229.200 232.210 271.088 1.00 0.00 C +ATOM 2 CA ASN A 2 232.114 232.714 273.490 1.00 0.00 C +ATOM 3 CA ASN A 3 234.677 235.138 272.050 1.00 0.00 C +ATOM 4 CA PRO A 4 233.996 235.367 268.308 1.00 0.00 C +ATOM 5 CA VAL A 5 231.925 237.866 266.312 1.00 0.00 C +ATOM 6 CA ALA A 6 228.738 239.100 267.996 1.00 0.00 C +ATOM 7 CA LYS A 7 225.783 240.691 269.799 1.00 0.00 C +ATOM 8 CA HIS A 8 225.570 244.265 268.496 1.00 0.00 C +ATOM 9 CA ASP A 9 227.725 246.456 266.244 1.00 0.00 C +ATOM 10 CA PHE A 10 230.844 244.731 264.899 1.00 0.00 C +ATOM 11 CA ASN A 11 234.391 244.878 263.515 1.00 0.00 C +ATOM 12 CA ARG A 12 236.534 243.790 260.559 1.00 0.00 C +ATOM 13 CA ALA A 13 235.221 244.234 257.010 1.00 0.00 C +ATOM 14 CA SER A 14 235.859 243.332 253.364 1.00 0.00 C +ATOM 15 CA THR A 15 235.390 244.460 249.755 1.00 0.00 C +ATOM 16 CA HIS A 16 237.681 245.787 247.015 1.00 0.00 C +ATOM 17 CA ALA A 17 237.816 246.936 243.385 1.00 0.00 C +ATOM 18 CA ASP A 18 237.673 245.803 239.750 1.00 0.00 C +ATOM 19 CA ARG A 19 240.456 247.352 237.657 1.00 0.00 C +ATOM 20 CA LYS A 20 243.577 249.149 238.900 1.00 0.00 C +ATOM 21 CA ARG A 21 245.601 252.124 240.152 1.00 0.00 C +ATOM 22 CA ASP A 22 248.959 253.671 241.074 1.00 0.00 C +ATOM 23 CA SER A 23 250.562 256.617 239.265 1.00 0.00 C +ATOM 24 CA LYS A 24 248.988 257.586 235.934 1.00 0.00 C +ATOM 25 CA GLU A 25 247.530 257.857 232.424 1.00 0.00 C +ATOM 26 CA ALA A 26 248.059 254.591 230.535 1.00 0.00 C +ATOM 27 CA LYS A 27 250.695 252.485 232.305 1.00 0.00 C +ATOM 28 CA ARG A 28 251.784 250.791 235.540 1.00 0.00 C +ATOM 29 CA LYS A 29 254.860 249.223 237.151 1.00 0.00 C +ATOM 30 CA GLN A 30 257.284 246.878 235.379 1.00 0.00 C +ATOM 31 CA LYS A 31 260.693 247.673 236.883 1.00 0.00 C +ATOM 32 CA HIS A 32 263.680 247.116 239.182 1.00 0.00 C +ATOM 33 CA LYS A 33 265.071 249.232 242.028 1.00 0.00 C +ATOM 34 CA GLY A 34 265.472 250.315 245.659 1.00 0.00 C +ATOM 35 CA LYS A 35 266.724 253.582 247.168 1.00 0.00 C +ATOM 36 CA PHE A 36 268.802 256.699 246.474 1.00 0.00 C +ATOM 37 CA ASP A 37 272.480 257.382 247.197 1.00 0.00 C +ATOM 38 CA GLU A 38 276.280 257.589 247.022 1.00 0.00 C +ATOM 39 CA LYS A 39 279.090 259.602 248.625 1.00 0.00 C +ATOM 40 CA CYS A 40 278.496 262.423 251.117 1.00 0.00 C +ATOM 41 CA PHE A 41 280.410 265.669 251.677 1.00 0.00 C +ATOM 42 CA ASP A 42 281.438 269.277 251.010 1.00 0.00 C +ATOM 43 CA HIS A 43 282.349 272.629 252.574 1.00 0.00 C +ATOM 44 CA LEU A 44 279.524 274.727 254.036 1.00 0.00 C +TER 45 LEU A 44 +END diff --git a/Viruses/Q56EV1/Q56EV1.dcd b/Viruses/Q56EV1/Q56EV1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..dbc9cd26ae9a691d9f7ff6b802440e2ed343ace1 --- /dev/null +++ b/Viruses/Q56EV1/Q56EV1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:097153acb556e3c1caff6627f022825547cdbd1e66a43898ae2e98c9dd9db60b +size 4640276 diff --git a/Viruses/Q56EV1/top.pdb b/Viruses/Q56EV1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0623a6da0bec879a9b8a338cc6160794ca736ddf --- /dev/null +++ b/Viruses/Q56EV1/top.pdb @@ -0,0 +1,36 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 240.898 234.383 241.791 1.00 0.00 C +ATOM 2 CA GLU A 2 244.129 236.280 242.482 1.00 0.00 C +ATOM 3 CA GLY A 3 246.806 237.071 245.075 1.00 0.00 C +ATOM 4 CA TYR A 4 248.102 240.631 245.481 1.00 0.00 C +ATOM 5 CA ILE A 5 250.416 243.493 244.495 1.00 0.00 C +ATOM 6 CA VAL A 6 252.923 246.346 244.193 1.00 0.00 C +ATOM 7 CA LYS A 7 255.232 248.802 245.968 1.00 0.00 C +ATOM 8 CA ASN A 8 258.641 248.730 244.269 1.00 0.00 C +ATOM 9 CA LYS A 9 260.072 249.269 240.779 1.00 0.00 C +ATOM 10 CA PHE A 10 257.478 250.953 238.555 1.00 0.00 C +ATOM 11 CA VAL A 11 258.299 254.627 237.966 1.00 0.00 C +ATOM 12 CA ARG A 12 257.376 258.004 239.470 1.00 0.00 C +ATOM 13 CA THR A 13 259.209 261.174 238.418 1.00 0.00 C +ATOM 14 CA ASP A 14 261.894 262.844 240.545 1.00 0.00 C +ATOM 15 CA GLU A 15 261.475 262.189 244.275 1.00 0.00 C +ATOM 16 CA GLU A 16 262.858 259.936 247.019 1.00 0.00 C +ATOM 17 CA SER A 17 263.119 256.940 249.358 1.00 0.00 C +ATOM 18 CA GLN A 18 263.245 253.867 251.606 1.00 0.00 C +ATOM 19 CA SER A 19 260.113 253.489 253.742 1.00 0.00 C +ATOM 20 CA LYS A 20 257.500 255.538 255.611 1.00 0.00 C +ATOM 21 CA GLU A 21 255.298 252.935 257.313 1.00 0.00 C +ATOM 22 CA VAL A 22 251.873 251.695 256.196 1.00 0.00 C +ATOM 23 CA GLU A 23 248.120 251.050 256.093 1.00 0.00 C +ATOM 24 CA LYS A 24 246.206 252.984 258.760 1.00 0.00 C +ATOM 25 CA GLU A 25 242.714 252.076 259.984 1.00 0.00 C +ATOM 26 CA ASN A 26 239.463 250.783 258.475 1.00 0.00 C +ATOM 27 CA PRO A 27 235.714 251.464 258.523 1.00 0.00 C +ATOM 28 CA LYS A 28 233.191 250.620 261.250 1.00 0.00 C +ATOM 29 CA GLU A 29 233.115 247.081 262.660 1.00 0.00 C +ATOM 30 CA ALA A 30 233.676 244.502 259.913 1.00 0.00 C +ATOM 31 CA GLU A 31 231.834 241.236 259.238 1.00 0.00 C +ATOM 32 CA GLU A 32 229.013 239.007 260.499 1.00 0.00 C +TER 33 GLU A 32 +END diff --git a/Viruses/Q56II6/Q56II6.dcd b/Viruses/Q56II6/Q56II6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..04a52770bc84bc0e66c01f3d748f7e1b49295ba2 --- /dev/null +++ b/Viruses/Q56II6/Q56II6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e2010c032dcf9d247613d1c9db13d1ba588373b940afd69e2ce9150724ba6bf7 +size 17720276 diff --git a/Viruses/Q56II6/top.pdb b/Viruses/Q56II6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..af0799dd177175a9c53e338e450084519c96aa67 --- /dev/null +++ b/Viruses/Q56II6/top.pdb @@ -0,0 +1,145 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA VAL A 1 308.539 302.784 273.371 1.00 0.00 C +ATOM 2 CA TYR A 2 306.057 302.597 270.486 1.00 0.00 C +ATOM 3 CA ASP A 3 305.710 300.152 267.585 1.00 0.00 C +ATOM 4 CA HIS A 4 307.286 296.853 268.658 1.00 0.00 C +ATOM 5 CA SER A 5 306.342 294.865 271.768 1.00 0.00 C +ATOM 6 CA GLY A 6 308.063 293.274 274.771 1.00 0.00 C +ATOM 7 CA GLU A 7 310.911 291.164 276.169 1.00 0.00 C +ATOM 8 CA LYS A 8 312.083 291.441 279.784 1.00 0.00 C +ATOM 9 CA VAL A 9 313.078 290.977 283.432 1.00 0.00 C +ATOM 10 CA GLU A 10 313.927 287.352 284.240 1.00 0.00 C +ATOM 11 CA GLY A 11 311.068 285.209 282.918 1.00 0.00 C +ATOM 12 CA VAL A 12 311.832 281.620 283.944 1.00 0.00 C +ATOM 13 CA GLU A 13 311.404 280.724 287.622 1.00 0.00 C +ATOM 14 CA ASP A 14 308.772 282.595 289.644 1.00 0.00 C +ATOM 15 CA ALA A 15 308.348 285.714 291.791 1.00 0.00 C +ATOM 16 CA ASP A 16 304.937 285.392 293.457 1.00 0.00 C +ATOM 17 CA SER A 17 304.616 286.401 297.117 1.00 0.00 C +ATOM 18 CA ILE A 18 304.025 286.172 300.874 1.00 0.00 C +ATOM 19 CA LEU A 19 304.815 285.818 304.584 1.00 0.00 C +ATOM 20 CA VAL A 20 304.465 287.813 307.811 1.00 0.00 C +ATOM 21 CA GLN A 21 301.174 289.722 307.614 1.00 0.00 C +ATOM 22 CA SER A 22 299.977 290.665 304.122 1.00 0.00 C +ATOM 23 CA GLY A 23 296.445 292.070 303.869 1.00 0.00 C +ATOM 24 CA ALA A 24 294.128 289.572 302.164 1.00 0.00 C +ATOM 25 CA ASP A 25 293.793 288.488 298.527 1.00 0.00 C +ATOM 26 CA ASP A 26 290.828 286.489 297.213 1.00 0.00 C +ATOM 27 CA GLY A 27 289.155 283.696 299.192 1.00 0.00 C +ATOM 28 CA VAL A 28 289.666 279.963 298.625 1.00 0.00 C +ATOM 29 CA GLU A 29 287.952 279.191 295.311 1.00 0.00 C +ATOM 30 CA PHE A 30 290.281 279.274 292.297 1.00 0.00 C +ATOM 31 CA TRP A 31 289.792 276.649 289.579 1.00 0.00 C +ATOM 32 CA GLY A 32 292.489 275.381 287.205 1.00 0.00 C +ATOM 33 CA GLY A 33 293.184 272.717 284.571 1.00 0.00 C +ATOM 34 CA ASP A 34 291.960 270.502 281.723 1.00 0.00 C +ATOM 35 CA GLU A 35 291.153 266.793 282.056 1.00 0.00 C +ATOM 36 CA GLU A 36 287.617 266.543 283.453 1.00 0.00 C +ATOM 37 CA SER A 37 284.615 267.785 285.443 1.00 0.00 C +ATOM 38 CA GLU A 38 280.938 267.177 284.653 1.00 0.00 C +ATOM 39 CA ASN A 39 278.505 264.773 286.331 1.00 0.00 C +ATOM 40 CA SER A 40 276.160 263.082 283.850 1.00 0.00 C +ATOM 41 CA ASP A 41 275.359 259.500 282.829 1.00 0.00 C +ATOM 42 CA VAL A 42 273.365 256.376 281.943 1.00 0.00 C +ATOM 43 CA ASP A 43 275.041 253.064 282.803 1.00 0.00 C +ATOM 44 CA PRO A 44 278.003 251.042 281.517 1.00 0.00 C +ATOM 45 CA GLY A 45 277.398 250.701 277.770 1.00 0.00 C +ATOM 46 CA GLU A 46 278.275 252.770 274.694 1.00 0.00 C +ATOM 47 CA PHE A 47 280.331 255.662 276.081 1.00 0.00 C +ATOM 48 CA ASP A 48 281.991 258.601 277.848 1.00 0.00 C +ATOM 49 CA PRO A 49 281.540 261.979 276.145 1.00 0.00 C +ATOM 50 CA GLU A 50 278.898 263.893 274.177 1.00 0.00 C +ATOM 51 CA GLY A 51 277.103 262.511 271.114 1.00 0.00 C +ATOM 52 CA ASN A 52 276.754 260.824 267.716 1.00 0.00 C +ATOM 53 CA ALA A 53 274.628 259.330 264.929 1.00 0.00 C +ATOM 54 CA PRO A 54 273.616 261.624 262.061 1.00 0.00 C +ATOM 55 CA ALA A 55 272.014 263.847 259.414 1.00 0.00 C +ATOM 56 CA ASP A 56 268.333 263.466 258.504 1.00 0.00 C +ATOM 57 CA TRP A 57 264.969 262.078 259.630 1.00 0.00 C +ATOM 58 CA ARG A 58 262.674 259.389 261.052 1.00 0.00 C +ATOM 59 CA SER A 59 259.401 258.202 259.504 1.00 0.00 C +ATOM 60 CA SER A 60 256.916 255.398 260.199 1.00 0.00 C +ATOM 61 CA PRO A 61 253.297 255.642 259.032 1.00 0.00 C +ATOM 62 CA ILE A 62 252.495 255.830 255.312 1.00 0.00 C +ATOM 63 CA PRO A 63 249.417 256.908 253.342 1.00 0.00 C +ATOM 64 CA PRO A 64 245.747 257.622 252.609 1.00 0.00 C +ATOM 65 CA THR A 65 244.519 258.765 249.189 1.00 0.00 C +ATOM 66 CA THR A 66 244.643 256.213 246.363 1.00 0.00 C +ATOM 67 CA ARG A 67 244.488 252.416 246.089 1.00 0.00 C +ATOM 68 CA ALA A 68 244.571 248.871 247.481 1.00 0.00 C +ATOM 69 CA SER A 69 247.210 246.581 245.962 1.00 0.00 C +ATOM 70 CA ASP A 70 247.897 244.098 243.155 1.00 0.00 C +ATOM 71 CA VAL A 71 248.749 240.409 242.731 1.00 0.00 C +ATOM 72 CA GLU A 72 248.044 236.808 243.756 1.00 0.00 C +ATOM 73 CA THR A 73 246.572 236.182 247.215 1.00 0.00 C +ATOM 74 CA VAL A 74 244.998 236.366 250.679 1.00 0.00 C +ATOM 75 CA GLU A 75 242.271 238.581 252.154 1.00 0.00 C +ATOM 76 CA GLY A 76 242.389 241.132 254.982 1.00 0.00 C +ATOM 77 CA ASP A 77 240.844 244.525 254.199 1.00 0.00 C +ATOM 78 CA GLU A 78 237.275 243.799 253.080 1.00 0.00 C +ATOM 79 CA ILE A 79 236.561 245.259 249.634 1.00 0.00 C +ATOM 80 CA GLN A 80 236.829 248.828 248.328 1.00 0.00 C +ATOM 81 CA LYS A 81 237.625 250.826 245.183 1.00 0.00 C +ATOM 82 CA LEU A 82 235.946 253.001 242.544 1.00 0.00 C +ATOM 83 CA LEU A 83 232.840 252.160 240.504 1.00 0.00 C +ATOM 84 CA GLU A 84 230.840 251.373 237.358 1.00 0.00 C +ATOM 85 CA ASP A 85 231.680 247.904 236.028 1.00 0.00 C +ATOM 86 CA GLN A 86 229.844 245.007 234.368 1.00 0.00 C +ATOM 87 CA SER A 87 227.856 244.532 231.153 1.00 0.00 C +ATOM 88 CA ARG A 88 229.317 246.980 228.626 1.00 0.00 C +ATOM 89 CA ALA A 89 232.653 245.587 227.420 1.00 0.00 C +ATOM 90 CA ARG A 90 234.134 243.807 224.394 1.00 0.00 C +ATOM 91 CA LYS A 91 236.537 241.919 222.120 1.00 0.00 C +ATOM 92 CA MET A 92 234.991 238.461 221.706 1.00 0.00 C +ATOM 93 CA THR A 93 231.344 237.420 222.072 1.00 0.00 C +ATOM 94 CA LYS A 94 227.754 238.208 223.075 1.00 0.00 C +ATOM 95 CA ALA A 95 226.236 239.503 226.321 1.00 0.00 C +ATOM 96 CA GLY A 96 222.662 239.242 227.615 1.00 0.00 C +ATOM 97 CA LYS A 97 220.516 240.575 230.467 1.00 0.00 C +ATOM 98 CA THR A 98 217.392 242.456 231.570 1.00 0.00 C +ATOM 99 CA LEU A 99 217.573 242.507 235.376 1.00 0.00 C +ATOM 100 CA VAL A 100 217.666 239.615 237.854 1.00 0.00 C +ATOM 101 CA VAL A 101 214.978 237.093 236.888 1.00 0.00 C +ATOM 102 CA PRO A 102 214.580 235.725 233.354 1.00 0.00 C +ATOM 103 CA PRO A 103 215.411 232.414 231.663 1.00 0.00 C +ATOM 104 CA ILE A 104 219.076 231.524 231.119 1.00 0.00 C +ATOM 105 CA PRO A 105 220.222 229.257 228.280 1.00 0.00 C +ATOM 106 CA SER A 106 221.362 229.157 224.646 1.00 0.00 C +ATOM 107 CA HIS A 107 225.111 228.722 224.128 1.00 0.00 C +ATOM 108 CA GLU A 108 225.939 226.355 221.259 1.00 0.00 C +ATOM 109 CA ARG A 109 225.651 225.885 217.490 1.00 0.00 C +ATOM 110 CA SER A 110 223.574 223.545 215.315 1.00 0.00 C +ATOM 111 CA ILE A 111 219.788 223.395 215.718 1.00 0.00 C +ATOM 112 CA ALA A 112 218.245 226.271 213.752 1.00 0.00 C +ATOM 113 CA SER A 113 218.205 226.204 209.943 1.00 0.00 C +ATOM 114 CA GLU A 114 215.580 228.253 208.091 1.00 0.00 C +ATOM 115 CA LYS A 115 213.035 228.476 205.265 1.00 0.00 C +ATOM 116 CA PRO A 116 209.766 228.625 203.313 1.00 0.00 C +ATOM 117 CA ILE A 117 207.119 228.835 200.581 1.00 0.00 C +ATOM 118 CA LYS A 118 204.473 226.313 201.655 1.00 0.00 C +ATOM 119 CA LYS A 119 201.640 227.329 203.992 1.00 0.00 C +ATOM 120 CA GLY A 120 200.169 227.504 207.502 1.00 0.00 C +ATOM 121 CA THR A 121 196.737 225.946 208.057 1.00 0.00 C +ATOM 122 CA ASP A 122 194.834 222.970 206.629 1.00 0.00 C +ATOM 123 CA VAL A 123 192.111 221.022 208.447 1.00 0.00 C +ATOM 124 CA LYS A 124 188.837 219.074 208.373 1.00 0.00 C +ATOM 125 CA SER A 125 186.478 216.096 208.659 1.00 0.00 C +ATOM 126 CA VAL A 126 185.883 213.461 205.972 1.00 0.00 C +ATOM 127 CA SER A 127 188.346 211.204 204.141 1.00 0.00 C +ATOM 128 CA SER A 128 189.633 211.398 200.560 1.00 0.00 C +ATOM 129 CA GLY A 129 193.419 210.983 200.485 1.00 0.00 C +ATOM 130 CA THR A 130 194.261 208.910 197.401 1.00 0.00 C +ATOM 131 CA MET A 131 192.309 205.689 196.830 1.00 0.00 C +ATOM 132 CA THR A 132 192.350 203.130 199.653 1.00 0.00 C +ATOM 133 CA GLU A 133 192.859 203.775 203.373 1.00 0.00 C +ATOM 134 CA SER A 134 192.068 201.284 206.146 1.00 0.00 C +ATOM 135 CA SER A 135 188.980 200.420 208.203 1.00 0.00 C +ATOM 136 CA SER A 136 188.733 197.655 210.813 1.00 0.00 C +ATOM 137 CA THR A 137 192.004 196.110 212.010 1.00 0.00 C +ATOM 138 CA SER A 138 193.460 195.508 215.479 1.00 0.00 C +ATOM 139 CA GLY A 139 194.992 192.567 217.356 1.00 0.00 C +ATOM 140 CA ALA A 140 196.006 189.256 215.767 1.00 0.00 C +ATOM 141 CA THR A 141 194.854 187.041 212.889 1.00 0.00 C +TER 142 THR A 141 +END diff --git a/Viruses/Q58I31/Q58I31.dcd b/Viruses/Q58I31/Q58I31.dcd new file mode 100644 index 0000000000000000000000000000000000000000..368086b01b634dcc5e5e554cb8b260cece9c9b5a --- /dev/null +++ b/Viruses/Q58I31/Q58I31.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:80fbdab7d120e6f48d76c593d4a02cb3a80a0d48df677cff6a65599e79556378 +size 7520276 diff --git a/Viruses/Q58I31/top.pdb b/Viruses/Q58I31/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4b37ec340bf9f803343fa44934bb4ee266273af8 --- /dev/null +++ b/Viruses/Q58I31/top.pdb @@ -0,0 +1,60 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 236.240 239.951 270.823 1.00 0.00 C +ATOM 2 CA GLU A 2 234.626 241.826 267.926 1.00 0.00 C +ATOM 3 CA THR A 3 235.126 245.526 267.169 1.00 0.00 C +ATOM 4 CA SER A 4 237.214 248.069 265.248 1.00 0.00 C +ATOM 5 CA GLU A 5 239.652 250.826 264.265 1.00 0.00 C +ATOM 6 CA SER A 6 241.376 253.851 262.716 1.00 0.00 C +ATOM 7 CA GLY A 7 242.959 253.533 259.265 1.00 0.00 C +ATOM 8 CA THR A 8 243.541 250.354 257.248 1.00 0.00 C +ATOM 9 CA THR A 9 245.037 249.955 253.766 1.00 0.00 C +ATOM 10 CA ALA A 10 242.360 248.903 251.268 1.00 0.00 C +ATOM 11 CA ALA A 11 242.243 245.706 249.199 1.00 0.00 C +ATOM 12 CA PRO A 12 241.589 242.459 247.316 1.00 0.00 C +ATOM 13 CA GLN A 13 242.323 240.854 243.940 1.00 0.00 C +ATOM 14 CA GLN A 14 240.628 242.285 240.842 1.00 0.00 C +ATOM 15 CA ARG A 15 241.774 245.789 239.882 1.00 0.00 C +ATOM 16 CA ALA A 16 245.527 246.444 239.833 1.00 0.00 C +ATOM 17 CA ALA A 17 247.584 249.614 240.317 1.00 0.00 C +ATOM 18 CA ALA A 18 250.153 252.132 239.061 1.00 0.00 C +ATOM 19 CA GLY A 19 249.718 255.898 238.683 1.00 0.00 C +ATOM 20 CA GLY A 20 251.236 259.383 238.427 1.00 0.00 C +ATOM 21 CA GLY A 21 250.763 261.217 235.121 1.00 0.00 C +ATOM 22 CA GLY A 22 252.253 261.920 231.685 1.00 0.00 C +ATOM 23 CA SER A 23 255.506 262.180 229.718 1.00 0.00 C +ATOM 24 CA GLY A 24 256.644 263.893 226.511 1.00 0.00 C +ATOM 25 CA GLY A 25 254.221 263.675 223.579 1.00 0.00 C +ATOM 26 CA GLY A 26 253.543 260.230 222.098 1.00 0.00 C +ATOM 27 CA GLY A 27 254.817 256.704 222.774 1.00 0.00 C +ATOM 28 CA GLU A 28 253.613 253.187 223.609 1.00 0.00 C +ATOM 29 CA SER A 29 251.878 251.545 226.577 1.00 0.00 C +ATOM 30 CA ALA A 30 250.927 252.331 230.182 1.00 0.00 C +ATOM 31 CA GLY A 31 253.208 254.962 231.729 1.00 0.00 C +ATOM 32 CA TYR A 32 256.479 253.312 232.774 1.00 0.00 C +ATOM 33 CA GLY A 33 257.775 252.633 236.291 1.00 0.00 C +ATOM 34 CA ARG A 34 259.556 251.578 239.490 1.00 0.00 C +ATOM 35 CA ASN A 35 260.279 250.878 243.165 1.00 0.00 C +ATOM 36 CA SER A 36 260.191 251.563 246.912 1.00 0.00 C +ATOM 37 CA SER A 37 258.665 249.225 249.505 1.00 0.00 C +ATOM 38 CA ASP A 38 260.681 248.646 252.685 1.00 0.00 C +ATOM 39 CA SER A 39 260.550 244.907 253.402 1.00 0.00 C +ATOM 40 CA PHE A 40 261.851 243.822 256.815 1.00 0.00 C +ATOM 41 CA GLN A 41 262.278 240.884 259.203 1.00 0.00 C +ATOM 42 CA ARG A 42 260.233 240.936 262.417 1.00 0.00 C +ATOM 43 CA HIS A 43 256.478 240.982 261.779 1.00 0.00 C +ATOM 44 CA ARG A 44 254.067 243.049 259.674 1.00 0.00 C +ATOM 45 CA ASN A 45 252.136 246.259 258.976 1.00 0.00 C +ATOM 46 CA LYS A 46 251.763 250.023 259.435 1.00 0.00 C +ATOM 47 CA PRO A 47 254.626 252.488 259.929 1.00 0.00 C +ATOM 48 CA ILE A 48 254.509 254.136 263.362 1.00 0.00 C +ATOM 49 CA ASP A 49 251.289 254.183 265.399 1.00 0.00 C +ATOM 50 CA LEU A 50 249.362 252.803 268.381 1.00 0.00 C +ATOM 51 CA LYS A 51 247.793 252.067 271.775 1.00 0.00 C +ATOM 52 CA HIS A 52 246.458 249.236 273.947 1.00 0.00 C +ATOM 53 CA ILE A 53 248.666 246.249 273.099 1.00 0.00 C +ATOM 54 CA GLY A 54 248.474 243.394 270.584 1.00 0.00 C +ATOM 55 CA ASP A 55 244.846 242.235 270.715 1.00 0.00 C +ATOM 56 CA ASN A 56 242.716 239.315 269.510 1.00 0.00 C +TER 57 ASN A 56 +END diff --git a/Viruses/Q58LM3/Q58LM3.dcd b/Viruses/Q58LM3/Q58LM3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..08253af033b1207d62ce87e15c60ab0dc120e300 --- /dev/null +++ b/Viruses/Q58LM3/Q58LM3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:deb1414cdb69abfb513677fd1ee0d3ca582a29c3eb1354794470478c59c15d31 +size 6200276 diff --git a/Viruses/Q58LM3/top.pdb b/Viruses/Q58LM3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b9d1d94b71bdc8103c59c6016162db3dc5022346 --- /dev/null +++ b/Viruses/Q58LM3/top.pdb @@ -0,0 +1,49 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 251.957 270.658 250.825 1.00 0.00 C +ATOM 2 CA ALA A 2 255.681 271.106 251.493 1.00 0.00 C +ATOM 3 CA MET A 3 258.095 270.772 248.564 1.00 0.00 C +ATOM 4 CA TYR A 4 256.059 269.516 245.599 1.00 0.00 C +ATOM 5 CA LYS A 5 253.561 269.296 242.731 1.00 0.00 C +ATOM 6 CA MET A 6 251.083 271.136 240.496 1.00 0.00 C +ATOM 7 CA GLY A 7 250.496 274.806 241.332 1.00 0.00 C +ATOM 8 CA LEU A 8 247.042 275.479 242.793 1.00 0.00 C +ATOM 9 CA SER A 9 245.461 273.334 245.516 1.00 0.00 C +ATOM 10 CA GLU A 10 243.789 275.370 248.269 1.00 0.00 C +ATOM 11 CA ILE A 11 244.672 276.394 251.831 1.00 0.00 C +ATOM 12 CA GLU A 12 247.733 274.411 252.932 1.00 0.00 C +ATOM 13 CA SER A 13 248.022 272.792 256.369 1.00 0.00 C +ATOM 14 CA LYS A 14 249.355 270.291 258.915 1.00 0.00 C +ATOM 15 CA PRO A 15 251.288 267.032 259.312 1.00 0.00 C +ATOM 16 CA LYS A 16 249.438 263.836 258.373 1.00 0.00 C +ATOM 17 CA LYS A 17 246.293 262.293 256.875 1.00 0.00 C +ATOM 18 CA THR A 18 245.096 262.172 253.260 1.00 0.00 C +ATOM 19 CA ARG A 19 243.397 260.245 250.446 1.00 0.00 C +ATOM 20 CA GLN A 20 245.512 257.297 249.284 1.00 0.00 C +ATOM 21 CA GLY A 21 248.423 254.997 248.418 1.00 0.00 C +ATOM 22 CA ASN A 22 252.106 254.177 248.951 1.00 0.00 C +ATOM 23 CA GLY A 23 254.512 251.298 248.295 1.00 0.00 C +ATOM 24 CA ALA A 24 254.252 248.486 250.853 1.00 0.00 C +ATOM 25 CA HIS A 25 252.992 245.107 249.626 1.00 0.00 C +ATOM 26 CA THR A 26 253.384 241.336 250.007 1.00 0.00 C +ATOM 27 CA LYS A 27 253.928 237.575 250.280 1.00 0.00 C +ATOM 28 CA TYR A 28 251.138 235.024 250.757 1.00 0.00 C +ATOM 29 CA SER A 29 248.910 236.557 253.441 1.00 0.00 C +ATOM 30 CA ALA A 30 247.221 236.118 256.828 1.00 0.00 C +ATOM 31 CA THR A 31 247.202 234.492 260.273 1.00 0.00 C +ATOM 32 CA ALA A 32 247.660 230.733 260.692 1.00 0.00 C +ATOM 33 CA ARG A 33 250.347 228.109 260.048 1.00 0.00 C +ATOM 34 CA ASN A 34 252.691 225.752 258.187 1.00 0.00 C +ATOM 35 CA LYS A 35 250.709 224.466 255.198 1.00 0.00 C +ATOM 36 CA LYS A 36 248.448 227.112 253.650 1.00 0.00 C +ATOM 37 CA LYS A 37 246.809 227.849 250.290 1.00 0.00 C +ATOM 38 CA LYS A 38 248.956 227.652 247.149 1.00 0.00 C +ATOM 39 CA PRO A 39 251.212 230.416 245.813 1.00 0.00 C +ATOM 40 CA TYR A 40 248.889 232.946 244.164 1.00 0.00 C +ATOM 41 CA ARG A 41 247.720 231.833 240.712 1.00 0.00 C +ATOM 42 CA GLY A 42 248.386 228.156 239.971 1.00 0.00 C +ATOM 43 CA GLN A 43 251.965 226.946 239.473 1.00 0.00 C +ATOM 44 CA GLY A 44 253.465 224.034 241.418 1.00 0.00 C +ATOM 45 CA LYS A 45 254.649 220.593 240.291 1.00 0.00 C +TER 46 LYS A 45 +END diff --git a/Viruses/Q58MF1/Q58MF1.dcd b/Viruses/Q58MF1/Q58MF1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..4ea0ae69cfe29c6755c7ea1eb99735af823c704f --- /dev/null +++ b/Viruses/Q58MF1/Q58MF1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bd3a328e6af520a6329b3adab17bb1523bb777f8d701babc68abc23009d7d531 +size 12800276 diff --git a/Viruses/Q58MF1/top.pdb b/Viruses/Q58MF1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..bf958f80140165c8d46844b1a75c9389afea9205 --- /dev/null +++ b/Viruses/Q58MF1/top.pdb @@ -0,0 +1,104 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 245.176 236.060 238.994 1.00 0.00 C +ATOM 2 CA ASP A 2 241.442 235.780 238.289 1.00 0.00 C +ATOM 3 CA ILE A 3 241.059 237.169 234.762 1.00 0.00 C +ATOM 4 CA ASN A 4 240.464 239.850 232.122 1.00 0.00 C +ATOM 5 CA LYS A 5 239.784 241.233 228.637 1.00 0.00 C +ATOM 6 CA ALA A 6 241.279 243.517 225.979 1.00 0.00 C +ATOM 7 CA ILE A 7 243.291 246.625 225.080 1.00 0.00 C +ATOM 8 CA GLU A 8 247.075 246.248 224.847 1.00 0.00 C +ATOM 9 CA ILE A 9 249.165 243.312 226.082 1.00 0.00 C +ATOM 10 CA ILE A 10 250.995 241.529 228.909 1.00 0.00 C +ATOM 11 CA ARG A 11 254.795 241.798 228.877 1.00 0.00 C +ATOM 12 CA GLU A 12 255.814 245.446 228.461 1.00 0.00 C +ATOM 13 CA SER A 13 253.574 248.269 229.698 1.00 0.00 C +ATOM 14 CA LYS A 14 255.261 251.034 231.704 1.00 0.00 C +ATOM 15 CA ARG A 15 254.670 254.791 231.476 1.00 0.00 C +ATOM 16 CA LYS A 16 251.815 256.978 232.732 1.00 0.00 C +ATOM 17 CA SER A 17 248.457 257.705 231.084 1.00 0.00 C +ATOM 18 CA LYS A 18 246.361 254.529 231.266 1.00 0.00 C +ATOM 19 CA CYS A 19 244.313 252.439 233.706 1.00 0.00 C +ATOM 20 CA PRO A 20 246.784 251.307 236.376 1.00 0.00 C +ATOM 21 CA PRO A 21 246.433 250.549 240.093 1.00 0.00 C +ATOM 22 CA GLY A 22 244.117 251.211 243.045 1.00 0.00 C +ATOM 23 CA SER A 23 244.327 254.756 244.424 1.00 0.00 C +ATOM 24 CA LYS A 24 245.966 258.006 245.551 1.00 0.00 C +ATOM 25 CA TRP A 25 246.610 261.561 246.760 1.00 0.00 C +ATOM 26 CA ASP A 26 247.808 265.177 246.679 1.00 0.00 C +ATOM 27 CA LYS A 27 251.199 266.804 247.287 1.00 0.00 C +ATOM 28 CA LYS A 28 253.197 266.059 244.130 1.00 0.00 C +ATOM 29 CA LEU A 29 253.709 264.779 240.578 1.00 0.00 C +ATOM 30 CA LYS A 30 256.844 262.979 239.375 1.00 0.00 C +ATOM 31 CA SER A 31 260.552 263.426 240.130 1.00 0.00 C +ATOM 32 CA CYS A 32 263.502 261.785 238.363 1.00 0.00 C +ATOM 33 CA VAL A 33 265.737 259.664 240.603 1.00 0.00 C +ATOM 34 CA PRO A 34 264.723 258.016 243.885 1.00 0.00 C +ATOM 35 CA LYS A 35 266.932 255.917 246.172 1.00 0.00 C +ATOM 36 CA LYS A 36 267.532 252.612 247.970 1.00 0.00 C +ATOM 37 CA TYR A 37 264.271 251.298 249.438 1.00 0.00 C +ATOM 38 CA SER A 38 264.022 249.050 252.504 1.00 0.00 C +ATOM 39 CA GLY A 39 261.433 246.662 253.955 1.00 0.00 C +ATOM 40 CA ARG A 40 261.152 246.892 257.748 1.00 0.00 C +ATOM 41 CA VAL A 41 261.108 247.530 261.504 1.00 0.00 C +ATOM 42 CA TYR A 42 258.574 249.995 262.925 1.00 0.00 C +ATOM 43 CA VAL A 43 255.668 251.363 264.975 1.00 0.00 C +ATOM 44 CA GLY A 44 252.718 251.857 267.334 1.00 0.00 C +ATOM 45 CA TRP A 45 249.170 252.961 268.177 1.00 0.00 C +ATOM 46 CA GLY A 46 246.781 255.725 267.097 1.00 0.00 C +ATOM 47 CA ARG A 47 243.318 255.388 265.544 1.00 0.00 C +ATOM 48 CA ASN A 48 239.633 256.344 265.393 1.00 0.00 C +ATOM 49 CA ARG A 49 237.302 259.354 265.522 1.00 0.00 C +ATOM 50 CA ASP A 50 235.659 262.738 266.130 1.00 0.00 C +ATOM 51 CA GLU A 51 235.217 266.519 265.971 1.00 0.00 C +ATOM 52 CA LYS A 52 238.643 268.172 265.759 1.00 0.00 C +ATOM 53 CA ASP A 53 241.239 268.453 262.984 1.00 0.00 C +ATOM 54 CA GLU A 54 243.987 270.516 261.338 1.00 0.00 C +ATOM 55 CA GLY A 55 247.717 271.241 261.613 1.00 0.00 C +ATOM 56 CA ASP A 56 249.509 268.168 262.977 1.00 0.00 C +ATOM 57 CA ASP A 57 251.533 265.321 261.457 1.00 0.00 C +ATOM 58 CA ASP A 58 252.445 261.622 261.520 1.00 0.00 C +ATOM 59 CA SER A 59 253.548 258.005 261.056 1.00 0.00 C +ATOM 60 CA LYS A 60 253.306 254.575 259.415 1.00 0.00 C +ATOM 61 CA LYS A 61 249.814 253.260 260.184 1.00 0.00 C +ATOM 62 CA ASN A 62 248.537 250.659 257.710 1.00 0.00 C +ATOM 63 CA GLY A 63 244.826 251.377 257.233 1.00 0.00 C +ATOM 64 CA LYS A 64 242.842 248.939 255.080 1.00 0.00 C +ATOM 65 CA ASN A 65 241.334 246.435 257.523 1.00 0.00 C +ATOM 66 CA GLY A 66 243.685 243.439 257.643 1.00 0.00 C +ATOM 67 CA SER A 67 247.379 244.071 258.330 1.00 0.00 C +ATOM 68 CA ASN A 68 249.725 242.929 261.107 1.00 0.00 C +ATOM 69 CA GLY A 69 251.399 245.707 263.107 1.00 0.00 C +ATOM 70 CA ASN A 70 255.055 245.111 263.998 1.00 0.00 C +ATOM 71 CA GLY A 71 255.739 242.143 266.287 1.00 0.00 C +ATOM 72 CA HIS A 72 257.560 241.507 269.573 1.00 0.00 C +ATOM 73 CA ASN A 73 256.366 238.484 271.561 1.00 0.00 C +ATOM 74 CA ASN A 74 253.139 237.190 270.002 1.00 0.00 C +ATOM 75 CA GLY A 75 252.307 234.631 267.305 1.00 0.00 C +ATOM 76 CA GLY A 76 252.778 235.084 263.551 1.00 0.00 C +ATOM 77 CA SER A 77 251.714 236.898 260.374 1.00 0.00 C +ATOM 78 CA GLY A 78 248.130 235.875 259.583 1.00 0.00 C +ATOM 79 CA ASN A 79 246.586 233.998 256.649 1.00 0.00 C +ATOM 80 CA GLY A 80 248.826 231.030 255.818 1.00 0.00 C +ATOM 81 CA ASN A 81 251.445 229.785 253.347 1.00 0.00 C +ATOM 82 CA GLY A 82 251.199 228.280 249.855 1.00 0.00 C +ATOM 83 CA GLY A 83 253.931 225.996 248.500 1.00 0.00 C +ATOM 84 CA ASN A 84 254.631 226.993 244.890 1.00 0.00 C +ATOM 85 CA GLY A 85 255.396 229.904 242.554 1.00 0.00 C +ATOM 86 CA ASN A 86 254.212 233.472 243.172 1.00 0.00 C +ATOM 87 CA GLY A 87 251.722 236.139 244.270 1.00 0.00 C +ATOM 88 CA GLY A 88 250.713 239.271 242.350 1.00 0.00 C +ATOM 89 CA ASN A 89 248.098 241.739 243.610 1.00 0.00 C +ATOM 90 CA GLY A 90 247.907 241.901 247.412 1.00 0.00 C +ATOM 91 CA ASN A 91 247.169 245.385 248.767 1.00 0.00 C +ATOM 92 CA GLY A 92 248.428 248.765 249.993 1.00 0.00 C +ATOM 93 CA GLY A 93 249.927 251.583 247.912 1.00 0.00 C +ATOM 94 CA GLY A 94 251.048 255.166 247.263 1.00 0.00 C +ATOM 95 CA ASN A 95 250.742 257.179 250.483 1.00 0.00 C +ATOM 96 CA GLY A 96 247.557 257.673 252.514 1.00 0.00 C +ATOM 97 CA GLY A 97 243.789 257.384 252.027 1.00 0.00 C +ATOM 98 CA GLY A 98 241.801 260.595 251.522 1.00 0.00 C +ATOM 99 CA GLY A 99 238.778 262.729 250.614 1.00 0.00 C +ATOM 100 CA GLU A 100 235.045 262.621 249.862 1.00 0.00 C +TER 101 GLU A 100 +END diff --git a/Viruses/Q58N36/Q58N36.dcd b/Viruses/Q58N36/Q58N36.dcd new file mode 100644 index 0000000000000000000000000000000000000000..4e5abdfd167238dcf7ab7373cde87b7d4f6f9259 --- /dev/null +++ b/Viruses/Q58N36/Q58N36.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5600486255652a2f48347654844dfa3293e021dd12160d23d008c56cb31cf391 +size 11960276 diff --git a/Viruses/Q58N36/top.pdb b/Viruses/Q58N36/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..6731691c1447a4d86c5338d3a42b19f75a410dd9 --- /dev/null +++ b/Viruses/Q58N36/top.pdb @@ -0,0 +1,97 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 252.154 200.534 279.398 1.00 0.00 C +ATOM 2 CA CYS A 2 250.761 201.573 276.008 1.00 0.00 C +ATOM 3 CA ILE A 3 252.541 203.405 273.181 1.00 0.00 C +ATOM 4 CA PHE A 4 255.108 201.636 270.990 1.00 0.00 C +ATOM 5 CA ARG A 5 253.422 200.819 267.672 1.00 0.00 C +ATOM 6 CA ALA A 6 252.177 197.241 268.072 1.00 0.00 C +ATOM 7 CA PRO A 7 249.560 196.857 265.330 1.00 0.00 C +ATOM 8 CA LYS A 8 246.826 199.487 265.684 1.00 0.00 C +ATOM 9 CA PRO A 9 244.177 199.052 268.388 1.00 0.00 C +ATOM 10 CA PRO A 10 241.063 201.045 269.309 1.00 0.00 C +ATOM 11 CA GLU A 11 241.453 204.788 269.902 1.00 0.00 C +ATOM 12 CA PRO A 12 238.857 206.712 271.921 1.00 0.00 C +ATOM 13 CA PRO A 13 235.737 208.134 270.259 1.00 0.00 C +ATOM 14 CA ALA A 14 232.682 209.471 272.102 1.00 0.00 C +ATOM 15 CA PRO A 15 229.962 211.622 273.681 1.00 0.00 C +ATOM 16 CA LEU A 16 229.146 214.626 275.878 1.00 0.00 C +ATOM 17 CA PRO A 17 227.978 218.121 276.844 1.00 0.00 C +ATOM 18 CA PRO A 18 225.559 220.796 278.072 1.00 0.00 C +ATOM 19 CA ALA A 19 224.290 224.319 277.370 1.00 0.00 C +ATOM 20 CA PRO A 20 226.755 226.123 275.092 1.00 0.00 C +ATOM 21 CA VAL A 21 226.147 229.879 274.908 1.00 0.00 C +ATOM 22 CA PRO A 22 225.777 233.654 275.266 1.00 0.00 C +ATOM 23 CA PRO A 23 227.045 236.757 277.079 1.00 0.00 C +ATOM 24 CA ALA A 24 228.782 239.408 274.964 1.00 0.00 C +ATOM 25 CA PRO A 25 229.925 242.704 276.495 1.00 0.00 C +ATOM 26 CA PRO A 26 228.326 246.127 276.000 1.00 0.00 C +ATOM 27 CA ALA A 27 226.597 246.901 272.694 1.00 0.00 C +ATOM 28 CA PRO A 28 228.008 249.181 269.988 1.00 0.00 C +ATOM 29 CA PRO A 29 229.507 252.225 268.253 1.00 0.00 C +ATOM 30 CA ALA A 30 228.724 252.374 264.528 1.00 0.00 C +ATOM 31 CA PRO A 31 228.290 255.398 262.252 1.00 0.00 C +ATOM 32 CA VAL A 32 227.051 257.573 259.379 1.00 0.00 C +ATOM 33 CA PRO A 33 227.240 260.933 257.592 1.00 0.00 C +ATOM 34 CA GLU A 34 229.530 263.778 256.505 1.00 0.00 C +ATOM 35 CA PRO A 35 231.376 267.107 256.651 1.00 0.00 C +ATOM 36 CA THR A 36 232.119 270.802 257.210 1.00 0.00 C +ATOM 37 CA VAL A 37 231.507 273.917 255.102 1.00 0.00 C +ATOM 38 CA LYS A 38 232.953 277.421 255.485 1.00 0.00 C +ATOM 39 CA PRO A 39 234.524 280.709 254.376 1.00 0.00 C +ATOM 40 CA VAL A 40 236.859 283.610 253.566 1.00 0.00 C +ATOM 41 CA ASN A 41 236.831 287.228 254.759 1.00 0.00 C +ATOM 42 CA PRO A 42 240.268 287.927 256.247 1.00 0.00 C +ATOM 43 CA ALA A 43 243.472 287.778 258.304 1.00 0.00 C +ATOM 44 CA ILE A 44 246.177 285.972 256.320 1.00 0.00 C +ATOM 45 CA ARG A 45 246.662 283.009 253.975 1.00 0.00 C +ATOM 46 CA GLU A 46 244.611 281.954 250.942 1.00 0.00 C +ATOM 47 CA ALA A 47 244.868 278.263 250.035 1.00 0.00 C +ATOM 48 CA GLN A 48 246.244 275.538 247.755 1.00 0.00 C +ATOM 49 CA SER A 49 247.447 272.800 250.116 1.00 0.00 C +ATOM 50 CA LYS A 50 250.247 273.118 252.679 1.00 0.00 C +ATOM 51 CA LEU A 51 251.992 270.181 254.364 1.00 0.00 C +ATOM 52 CA GLY A 52 250.351 266.857 253.482 1.00 0.00 C +ATOM 53 CA THR A 53 248.954 263.520 254.676 1.00 0.00 C +ATOM 54 CA LYS A 54 247.876 260.935 252.093 1.00 0.00 C +ATOM 55 CA LYS A 55 247.039 259.008 248.915 1.00 0.00 C +ATOM 56 CA GLY A 56 247.221 255.833 246.817 1.00 0.00 C +ATOM 57 CA LYS A 57 250.455 255.813 244.803 1.00 0.00 C +ATOM 58 CA LYS A 58 253.685 257.084 246.374 1.00 0.00 C +ATOM 59 CA GLY A 59 256.908 256.049 244.625 1.00 0.00 C +ATOM 60 CA SER A 60 259.724 257.036 246.994 1.00 0.00 C +ATOM 61 CA THR A 61 263.194 256.672 245.463 1.00 0.00 C +ATOM 62 CA ALA A 62 264.948 257.937 242.326 1.00 0.00 C +ATOM 63 CA ASP A 63 267.406 260.840 242.102 1.00 0.00 C +ATOM 64 CA LEU A 64 269.986 263.612 241.689 1.00 0.00 C +ATOM 65 CA ARG A 65 273.140 265.745 241.835 1.00 0.00 C +ATOM 66 CA ILE A 66 276.746 266.864 242.348 1.00 0.00 C +ATOM 67 CA GLU A 67 280.400 267.511 243.211 1.00 0.00 C +ATOM 68 CA LYS A 68 282.482 268.798 240.291 1.00 0.00 C +ATOM 69 CA GLN A 69 282.881 271.119 237.296 1.00 0.00 C +ATOM 70 CA LYS A 70 280.380 271.530 234.451 1.00 0.00 C +ATOM 71 CA GLN A 71 277.363 269.349 233.642 1.00 0.00 C +ATOM 72 CA GLN A 72 275.920 265.897 232.926 1.00 0.00 C +ATOM 73 CA VAL A 73 274.553 262.372 232.454 1.00 0.00 C +ATOM 74 CA SER A 74 271.289 260.849 231.212 1.00 0.00 C +ATOM 75 CA SER A 75 268.024 258.946 230.724 1.00 0.00 C +ATOM 76 CA GLY A 76 265.130 257.769 228.543 1.00 0.00 C +ATOM 77 CA THR A 77 264.709 254.075 229.377 1.00 0.00 C +ATOM 78 CA GLN A 78 267.866 251.965 229.680 1.00 0.00 C +ATOM 79 CA GLY A 79 269.224 248.475 228.977 1.00 0.00 C +ATOM 80 CA SER A 80 269.195 245.431 226.686 1.00 0.00 C +ATOM 81 CA ILE A 81 268.535 244.058 223.194 1.00 0.00 C +ATOM 82 CA ASN A 82 269.055 245.935 219.919 1.00 0.00 C +ATOM 83 CA THR A 83 265.581 246.128 218.367 1.00 0.00 C +ATOM 84 CA GLY A 84 263.367 249.203 217.973 1.00 0.00 C +ATOM 85 CA ASN A 85 261.927 251.093 214.995 1.00 0.00 C +ATOM 86 CA THR A 86 261.058 254.722 215.761 1.00 0.00 C +ATOM 87 CA SER A 87 261.548 256.719 212.554 1.00 0.00 C +ATOM 88 CA THR A 88 263.910 258.070 209.887 1.00 0.00 C +ATOM 89 CA THR A 89 263.722 261.870 209.694 1.00 0.00 C +ATOM 90 CA GLY A 90 263.105 264.915 207.488 1.00 0.00 C +ATOM 91 CA GLY A 91 264.463 268.139 205.980 1.00 0.00 C +ATOM 92 CA ILE A 92 268.198 268.515 205.329 1.00 0.00 C +ATOM 93 CA GLN A 93 269.165 272.155 205.905 1.00 0.00 C +TER 94 GLN A 93 +END diff --git a/Viruses/Q58NB9/Q58NB9.dcd b/Viruses/Q58NB9/Q58NB9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..86f41a030b75e055959bc96706d7d3604e5d447b --- /dev/null +++ b/Viruses/Q58NB9/Q58NB9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ec3e5e2b7d58be60458e1c02e4ba5c7122665ba5a412ce8d5702fef76871f526 +size 5360276 diff --git a/Viruses/Q58NB9/top.pdb b/Viruses/Q58NB9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..59649bf7d5e5606b371cb1962112027c563fa59b --- /dev/null +++ b/Viruses/Q58NB9/top.pdb @@ -0,0 +1,42 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLN A 1 237.468 266.057 251.990 1.00 0.00 C +ATOM 2 CA TRP A 2 239.639 267.563 249.245 1.00 0.00 C +ATOM 3 CA THR A 3 242.661 265.251 249.048 1.00 0.00 C +ATOM 4 CA LEU A 4 246.224 266.364 249.808 1.00 0.00 C +ATOM 5 CA SER A 5 248.407 268.328 247.380 1.00 0.00 C +ATOM 6 CA PHE A 6 248.360 266.526 244.024 1.00 0.00 C +ATOM 7 CA HIS A 7 245.546 266.065 241.497 1.00 0.00 C +ATOM 8 CA GLN A 8 246.430 265.019 237.941 1.00 0.00 C +ATOM 9 CA LEU A 9 248.645 261.961 237.435 1.00 0.00 C +ATOM 10 CA PRO A 10 251.799 259.829 237.595 1.00 0.00 C +ATOM 11 CA ARG A 11 254.739 258.782 239.780 1.00 0.00 C +ATOM 12 CA HIS A 12 254.080 255.424 241.457 1.00 0.00 C +ATOM 13 CA PRO A 13 256.952 253.885 243.431 1.00 0.00 C +ATOM 14 CA ARG A 14 258.992 250.687 243.788 1.00 0.00 C +ATOM 15 CA PRO A 15 259.228 247.419 241.844 1.00 0.00 C +ATOM 16 CA CYS A 16 256.708 244.562 241.891 1.00 0.00 C +ATOM 17 CA GLN A 17 255.635 240.908 241.984 1.00 0.00 C +ATOM 18 CA SER A 18 253.550 239.240 239.265 1.00 0.00 C +ATOM 19 CA HIS A 19 254.425 235.533 239.197 1.00 0.00 C +ATOM 20 CA LEU A 20 253.305 233.792 242.396 1.00 0.00 C +ATOM 21 CA SER A 21 251.649 231.654 245.079 1.00 0.00 C +ATOM 22 CA THR A 22 248.254 229.925 245.130 1.00 0.00 C +ATOM 23 CA GLN A 23 245.947 232.044 247.299 1.00 0.00 C +ATOM 24 CA THR A 24 244.999 235.415 248.799 1.00 0.00 C +ATOM 25 CA PRO A 25 242.193 237.935 249.338 1.00 0.00 C +ATOM 26 CA GLU A 26 242.335 241.206 251.287 1.00 0.00 C +ATOM 27 CA PRO A 27 242.159 244.104 253.754 1.00 0.00 C +ATOM 28 CA ARG A 28 241.743 244.494 257.521 1.00 0.00 C +ATOM 29 CA LEU A 29 243.315 244.634 260.988 1.00 0.00 C +ATOM 30 CA SER A 30 245.460 246.028 263.812 1.00 0.00 C +ATOM 31 CA TYR A 31 247.512 244.508 266.639 1.00 0.00 C +ATOM 32 CA PRO A 32 250.986 244.872 268.163 1.00 0.00 C +ATOM 33 CA ARG A 33 253.469 247.715 267.650 1.00 0.00 C +ATOM 34 CA ALA A 34 254.152 247.916 263.907 1.00 0.00 C +ATOM 35 CA ARG A 35 253.356 251.069 261.923 1.00 0.00 C +ATOM 36 CA LYS A 36 256.563 253.065 261.426 1.00 0.00 C +ATOM 37 CA SER A 37 259.960 254.136 262.777 1.00 0.00 C +ATOM 38 CA LYS A 38 263.152 256.084 263.511 1.00 0.00 C +TER 39 LYS A 38 +END diff --git a/Viruses/Q58P45/Q58P45.dcd b/Viruses/Q58P45/Q58P45.dcd new file mode 100644 index 0000000000000000000000000000000000000000..06768251a7b33c6376a1744677eaa99a33645add --- /dev/null +++ b/Viruses/Q58P45/Q58P45.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b99a8ba083119288e2c1ac2a0bafe4dacdc8faf15e55321dd4962fabd781d148 +size 13640276 diff --git a/Viruses/Q58P45/top.pdb b/Viruses/Q58P45/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..92d759c946a513db7e475146d56f416dcdba8a7b --- /dev/null +++ b/Viruses/Q58P45/top.pdb @@ -0,0 +1,111 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LYS A 1 280.751 269.019 313.092 1.00 0.00 C +ATOM 2 CA ARG A 2 279.837 268.053 309.522 1.00 0.00 C +ATOM 3 CA ASP A 3 278.562 267.406 305.990 1.00 0.00 C +ATOM 4 CA PRO A 4 279.073 269.853 303.115 1.00 0.00 C +ATOM 5 CA LYS A 5 276.504 272.604 302.521 1.00 0.00 C +ATOM 6 CA THR A 6 272.781 273.353 302.208 1.00 0.00 C +ATOM 7 CA LEU A 7 271.382 270.437 300.194 1.00 0.00 C +ATOM 8 CA ALA A 8 269.496 267.323 299.071 1.00 0.00 C +ATOM 9 CA LYS A 9 266.701 267.501 296.488 1.00 0.00 C +ATOM 10 CA THR A 10 265.445 270.828 295.121 1.00 0.00 C +ATOM 11 CA PRO A 11 262.643 272.507 293.159 1.00 0.00 C +ATOM 12 CA LYS A 12 261.521 274.914 290.427 1.00 0.00 C +ATOM 13 CA LYS A 13 262.164 275.779 286.773 1.00 0.00 C +ATOM 14 CA GLU A 14 264.387 273.593 284.583 1.00 0.00 C +ATOM 15 CA THR A 15 266.658 271.624 282.241 1.00 0.00 C +ATOM 16 CA THR A 16 268.775 269.161 284.233 1.00 0.00 C +ATOM 17 CA ILE A 17 271.894 266.991 283.954 1.00 0.00 C +ATOM 18 CA ASN A 18 273.066 267.513 280.366 1.00 0.00 C +ATOM 19 CA PRO A 19 275.105 269.921 278.231 1.00 0.00 C +ATOM 20 CA THR A 20 272.938 270.976 275.281 1.00 0.00 C +ATOM 21 CA LYS A 21 271.970 270.218 271.674 1.00 0.00 C +ATOM 22 CA LYS A 22 269.164 267.654 271.410 1.00 0.00 C +ATOM 23 CA PRO A 23 265.779 267.105 273.070 1.00 0.00 C +ATOM 24 CA THR A 24 263.638 266.875 276.213 1.00 0.00 C +ATOM 25 CA PRO A 25 259.911 266.134 276.491 1.00 0.00 C +ATOM 26 CA LYS A 26 257.127 268.688 275.998 1.00 0.00 C +ATOM 27 CA THR A 27 255.141 271.637 274.629 1.00 0.00 C +ATOM 28 CA THR A 28 254.112 272.139 270.995 1.00 0.00 C +ATOM 29 CA GLU A 29 253.322 269.764 268.122 1.00 0.00 C +ATOM 30 CA ARG A 30 256.677 269.267 266.386 1.00 0.00 C +ATOM 31 CA ASP A 31 256.115 269.150 262.619 1.00 0.00 C +ATOM 32 CA THR A 32 254.367 266.135 261.080 1.00 0.00 C +ATOM 33 CA SER A 33 252.022 265.182 258.232 1.00 0.00 C +ATOM 34 CA THR A 34 250.768 261.631 258.805 1.00 0.00 C +ATOM 35 CA PRO A 35 250.397 258.132 257.341 1.00 0.00 C +ATOM 36 CA GLN A 36 253.507 257.342 255.287 1.00 0.00 C +ATOM 37 CA SER A 37 253.643 254.064 253.352 1.00 0.00 C +ATOM 38 CA THR A 38 253.836 251.369 256.038 1.00 0.00 C +ATOM 39 CA VAL A 39 255.730 248.177 255.179 1.00 0.00 C +ATOM 40 CA LEU A 40 258.123 245.362 254.250 1.00 0.00 C +ATOM 41 CA ASP A 41 258.329 242.266 256.461 1.00 0.00 C +ATOM 42 CA THR A 42 256.473 238.963 256.860 1.00 0.00 C +ATOM 43 CA THR A 43 254.755 237.690 253.706 1.00 0.00 C +ATOM 44 CA THR A 44 254.392 236.242 250.200 1.00 0.00 C +ATOM 45 CA SER A 45 254.700 232.776 248.649 1.00 0.00 C +ATOM 46 CA LYS A 46 256.618 229.559 247.949 1.00 0.00 C +ATOM 47 CA HIS A 47 254.126 226.765 247.240 1.00 0.00 C +ATOM 48 CA THR A 48 250.440 226.914 246.288 1.00 0.00 C +ATOM 49 CA GLU A 49 249.218 225.099 243.169 1.00 0.00 C +ATOM 50 CA ARG A 50 249.070 225.235 239.365 1.00 0.00 C +ATOM 51 CA ASP A 51 250.217 228.667 238.172 1.00 0.00 C +ATOM 52 CA THR A 52 247.508 229.962 235.827 1.00 0.00 C +ATOM 53 CA SER A 53 248.193 233.552 234.752 1.00 0.00 C +ATOM 54 CA THR A 54 250.049 233.192 231.444 1.00 0.00 C +ATOM 55 CA SER A 55 248.721 231.840 228.139 1.00 0.00 C +ATOM 56 CA GLN A 56 250.237 232.508 224.708 1.00 0.00 C +ATOM 57 CA SER A 57 248.503 233.985 221.654 1.00 0.00 C +ATOM 58 CA ILE A 58 247.535 237.535 222.639 1.00 0.00 C +ATOM 59 CA VAL A 59 250.534 239.479 223.959 1.00 0.00 C +ATOM 60 CA LEU A 60 254.173 240.225 224.805 1.00 0.00 C +ATOM 61 CA ASP A 61 255.433 237.246 226.818 1.00 0.00 C +ATOM 62 CA THR A 62 255.717 237.615 230.600 1.00 0.00 C +ATOM 63 CA THR A 63 256.993 239.372 233.730 1.00 0.00 C +ATOM 64 CA THR A 64 258.822 241.782 236.046 1.00 0.00 C +ATOM 65 CA SER A 65 260.005 245.346 236.694 1.00 0.00 C +ATOM 66 CA LYS A 66 261.267 248.920 237.075 1.00 0.00 C +ATOM 67 CA HIS A 67 261.538 251.869 239.473 1.00 0.00 C +ATOM 68 CA THR A 68 261.027 255.373 240.877 1.00 0.00 C +ATOM 69 CA ILE A 69 257.839 256.632 239.214 1.00 0.00 C +ATOM 70 CA GLN A 70 254.513 254.920 238.490 1.00 0.00 C +ATOM 71 CA GLN A 71 251.660 252.445 238.992 1.00 0.00 C +ATOM 72 CA GLN A 72 250.846 251.026 235.551 1.00 0.00 C +ATOM 73 CA SER A 73 249.706 251.109 231.916 1.00 0.00 C +ATOM 74 CA LEU A 74 248.333 247.663 231.046 1.00 0.00 C +ATOM 75 CA TYR A 75 247.327 247.786 227.373 1.00 0.00 C +ATOM 76 CA SER A 76 246.150 251.073 225.847 1.00 0.00 C +ATOM 77 CA THR A 77 245.854 250.330 222.122 1.00 0.00 C +ATOM 78 CA THR A 78 246.398 247.437 219.703 1.00 0.00 C +ATOM 79 CA PRO A 79 245.829 243.842 220.827 1.00 0.00 C +ATOM 80 CA GLU A 80 242.247 242.958 221.776 1.00 0.00 C +ATOM 81 CA ASN A 81 238.678 244.217 222.221 1.00 0.00 C +ATOM 82 CA THR A 82 236.265 245.134 225.023 1.00 0.00 C +ATOM 83 CA PRO A 83 233.268 243.789 226.952 1.00 0.00 C +ATOM 84 CA ASN A 84 231.835 240.982 224.811 1.00 0.00 C +ATOM 85 CA SER A 85 230.237 237.896 226.371 1.00 0.00 C +ATOM 86 CA THR A 86 229.091 235.656 229.233 1.00 0.00 C +ATOM 87 CA GLN A 87 230.674 234.341 232.439 1.00 0.00 C +ATOM 88 CA THR A 88 228.446 231.729 234.091 1.00 0.00 C +ATOM 89 CA PRO A 89 227.554 229.351 231.251 1.00 0.00 C +ATOM 90 CA THR A 90 226.169 226.250 232.980 1.00 0.00 C +ATOM 91 CA ALA A 91 222.712 226.167 234.577 1.00 0.00 C +ATOM 92 CA SER A 92 220.500 227.958 237.110 1.00 0.00 C +ATOM 93 CA GLU A 93 217.064 229.541 236.659 1.00 0.00 C +ATOM 94 CA PRO A 94 216.698 233.332 236.765 1.00 0.00 C +ATOM 95 CA SER A 95 218.942 235.703 238.730 1.00 0.00 C +ATOM 96 CA THR A 96 220.878 238.576 237.144 1.00 0.00 C +ATOM 97 CA SER A 97 223.822 240.126 235.289 1.00 0.00 C +ATOM 98 CA ASN A 98 223.710 238.608 231.796 1.00 0.00 C +ATOM 99 CA SER A 99 224.959 240.067 228.506 1.00 0.00 C +ATOM 100 CA THR A 100 225.887 243.696 229.200 1.00 0.00 C +ATOM 101 CA GLN A 101 227.104 247.207 228.357 1.00 0.00 C +ATOM 102 CA LYS A 102 225.510 248.285 225.068 1.00 0.00 C +ATOM 103 CA LEU A 103 223.814 245.367 223.301 1.00 0.00 C +ATOM 104 CA GLN A 104 223.335 244.347 219.661 1.00 0.00 C +ATOM 105 CA SER A 105 221.563 246.744 217.288 1.00 0.00 C +ATOM 106 CA TYR A 106 222.587 250.413 217.382 1.00 0.00 C +ATOM 107 CA ALA A 107 222.372 251.943 213.899 1.00 0.00 C +TER 108 ALA A 107 +END diff --git a/Viruses/Q58P48/Q58P48.dcd b/Viruses/Q58P48/Q58P48.dcd new file mode 100644 index 0000000000000000000000000000000000000000..0bb6e92634cb47bb7b0815ef73048e71f9132cff --- /dev/null +++ b/Viruses/Q58P48/Q58P48.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c01fe2a2e9228fd02b23d434eb193576977a4536cd16787e4db2c2e61dee8a96 +size 10760276 diff --git a/Viruses/Q58P48/top.pdb b/Viruses/Q58P48/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..93373619944a5d42063f1cbb09e43ac9decead7c --- /dev/null +++ b/Viruses/Q58P48/top.pdb @@ -0,0 +1,87 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LYS A 1 248.729 230.164 220.746 1.00 0.00 C +ATOM 2 CA ARG A 2 247.655 227.533 223.283 1.00 0.00 C +ATOM 3 CA ASP A 3 250.109 226.927 226.134 1.00 0.00 C +ATOM 4 CA PRO A 4 252.920 225.124 227.969 1.00 0.00 C +ATOM 5 CA LYS A 5 255.344 226.340 230.645 1.00 0.00 C +ATOM 6 CA THR A 6 258.840 226.556 229.145 1.00 0.00 C +ATOM 7 CA PRO A 7 262.432 225.319 229.426 1.00 0.00 C +ATOM 8 CA ALA A 8 265.265 223.523 231.234 1.00 0.00 C +ATOM 9 CA LYS A 9 263.728 221.820 234.276 1.00 0.00 C +ATOM 10 CA MET A 10 261.033 219.616 235.824 1.00 0.00 C +ATOM 11 CA LEU A 11 259.620 217.286 238.487 1.00 0.00 C +ATOM 12 CA LYS A 12 258.135 217.769 241.962 1.00 0.00 C +ATOM 13 CA LYS A 13 255.146 219.363 243.706 1.00 0.00 C +ATOM 14 CA GLU A 14 253.543 217.097 246.316 1.00 0.00 C +ATOM 15 CA THR A 15 250.410 215.073 245.542 1.00 0.00 C +ATOM 16 CA THR A 16 248.517 211.912 244.572 1.00 0.00 C +ATOM 17 CA THR A 17 245.485 211.013 246.696 1.00 0.00 C +ATOM 18 CA ASN A 18 246.061 210.546 250.433 1.00 0.00 C +ATOM 19 CA PRO A 19 246.127 210.129 254.220 1.00 0.00 C +ATOM 20 CA THR A 20 244.984 211.572 257.555 1.00 0.00 C +ATOM 21 CA LYS A 21 242.708 212.323 260.517 1.00 0.00 C +ATOM 22 CA LYS A 22 242.370 214.210 263.810 1.00 0.00 C +ATOM 23 CA LEU A 23 244.057 215.940 266.755 1.00 0.00 C +ATOM 24 CA THR A 24 245.801 218.166 269.308 1.00 0.00 C +ATOM 25 CA LEU A 25 249.271 219.295 268.210 1.00 0.00 C +ATOM 26 CA LYS A 26 251.669 222.105 269.141 1.00 0.00 C +ATOM 27 CA THR A 27 254.017 224.442 271.023 1.00 0.00 C +ATOM 28 CA THR A 28 254.532 228.217 270.978 1.00 0.00 C +ATOM 29 CA GLU A 29 256.700 230.647 272.957 1.00 0.00 C +ATOM 30 CA ARG A 30 255.127 233.545 274.865 1.00 0.00 C +ATOM 31 CA ASP A 31 251.751 233.697 276.624 1.00 0.00 C +ATOM 32 CA THR A 32 249.291 235.538 274.372 1.00 0.00 C +ATOM 33 CA SER A 33 245.790 236.036 275.792 1.00 0.00 C +ATOM 34 CA THR A 34 242.701 237.526 274.133 1.00 0.00 C +ATOM 35 CA SER A 35 240.195 240.324 273.491 1.00 0.00 C +ATOM 36 CA GLN A 36 241.310 243.966 273.411 1.00 0.00 C +ATOM 37 CA SER A 37 240.351 246.065 270.379 1.00 0.00 C +ATOM 38 CA THR A 38 237.179 248.174 270.295 1.00 0.00 C +ATOM 39 CA VAL A 39 236.987 251.968 270.008 1.00 0.00 C +ATOM 40 CA LEU A 40 237.762 255.592 269.125 1.00 0.00 C +ATOM 41 CA ASP A 41 238.850 259.237 269.352 1.00 0.00 C +ATOM 42 CA THR A 42 240.327 261.126 266.392 1.00 0.00 C +ATOM 43 CA THR A 43 238.678 260.291 263.060 1.00 0.00 C +ATOM 44 CA THR A 44 236.340 262.697 261.254 1.00 0.00 C +ATOM 45 CA SER A 45 236.878 264.795 258.120 1.00 0.00 C +ATOM 46 CA LYS A 46 238.685 262.579 255.600 1.00 0.00 C +ATOM 47 CA HIS A 47 238.314 261.483 251.970 1.00 0.00 C +ATOM 48 CA THR A 48 240.366 263.144 249.223 1.00 0.00 C +ATOM 49 CA THR A 49 242.014 266.472 250.076 1.00 0.00 C +ATOM 50 CA PRO A 50 243.330 269.633 251.747 1.00 0.00 C +ATOM 51 CA GLN A 51 246.917 270.424 252.758 1.00 0.00 C +ATOM 52 CA GLN A 52 250.188 269.822 250.900 1.00 0.00 C +ATOM 53 CA SER A 53 249.804 271.510 247.506 1.00 0.00 C +ATOM 54 CA LEU A 54 248.071 269.796 244.578 1.00 0.00 C +ATOM 55 CA HIS A 55 249.562 270.533 241.150 1.00 0.00 C +ATOM 56 CA SER A 56 250.211 271.885 237.648 1.00 0.00 C +ATOM 57 CA THR A 57 250.405 268.800 235.422 1.00 0.00 C +ATOM 58 CA THR A 58 252.648 268.104 232.422 1.00 0.00 C +ATOM 59 CA PRO A 59 256.413 267.580 232.684 1.00 0.00 C +ATOM 60 CA GLU A 60 258.793 270.469 231.972 1.00 0.00 C +ATOM 61 CA ASN A 61 258.068 272.455 228.803 1.00 0.00 C +ATOM 62 CA THR A 62 257.940 276.143 229.749 1.00 0.00 C +ATOM 63 CA PRO A 63 257.223 277.513 233.231 1.00 0.00 C +ATOM 64 CA ASN A 64 258.669 276.343 236.556 1.00 0.00 C +ATOM 65 CA PHE A 65 259.003 278.412 239.738 1.00 0.00 C +ATOM 66 CA THR A 66 257.594 281.791 240.793 1.00 0.00 C +ATOM 67 CA GLN A 67 255.706 285.030 241.475 1.00 0.00 C +ATOM 68 CA THR A 68 253.637 286.827 244.122 1.00 0.00 C +ATOM 69 CA PRO A 69 250.098 288.226 244.315 1.00 0.00 C +ATOM 70 CA THR A 70 247.760 289.138 247.182 1.00 0.00 C +ATOM 71 CA ALA A 71 246.529 286.429 249.562 1.00 0.00 C +ATOM 72 CA SER A 72 245.071 282.920 249.843 1.00 0.00 C +ATOM 73 CA GLU A 73 247.825 280.325 249.395 1.00 0.00 C +ATOM 74 CA PRO A 74 250.126 278.699 246.830 1.00 0.00 C +ATOM 75 CA SER A 75 253.688 277.567 246.092 1.00 0.00 C +ATOM 76 CA THR A 76 256.014 276.087 248.722 1.00 0.00 C +ATOM 77 CA SER A 77 259.783 275.658 249.075 1.00 0.00 C +ATOM 78 CA ASN A 78 261.058 274.049 245.866 1.00 0.00 C +ATOM 79 CA SER A 79 258.677 271.225 244.933 1.00 0.00 C +ATOM 80 CA THR A 80 256.934 269.429 242.060 1.00 0.00 C +ATOM 81 CA GLN A 81 254.374 266.836 243.174 1.00 0.00 C +ATOM 82 CA GLU A 82 251.642 264.537 244.503 1.00 0.00 C +ATOM 83 CA ALA A 83 252.141 261.524 246.781 1.00 0.00 C +TER 84 ALA A 83 +END diff --git a/Viruses/Q596I4/Q596I4.dcd b/Viruses/Q596I4/Q596I4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..40c35beb7d781c0943a740a523e046bf3551636b --- /dev/null +++ b/Viruses/Q596I4/Q596I4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cc790970c92a3bfb67b0cfd2e68b50bb190db85ec6b6dbd9c77eb1a817ab8710 +size 15080276 diff --git a/Viruses/Q596I4/top.pdb b/Viruses/Q596I4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e5650964d4044cc358d68077d6db0d89eee6cf0b --- /dev/null +++ b/Viruses/Q596I4/top.pdb @@ -0,0 +1,123 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ASN A 1 198.480 273.990 270.634 1.00 0.00 C +ATOM 2 CA GLN A 2 199.120 271.987 267.457 1.00 0.00 C +ATOM 3 CA LEU A 3 198.228 272.973 263.887 1.00 0.00 C +ATOM 4 CA CYS A 4 199.074 273.404 260.197 1.00 0.00 C +ATOM 5 CA LYS A 5 202.191 271.676 258.852 1.00 0.00 C +ATOM 6 CA SER A 6 204.158 274.231 256.822 1.00 0.00 C +ATOM 7 CA ILE A 7 207.232 276.295 257.720 1.00 0.00 C +ATOM 8 CA CYS A 8 209.980 278.344 259.383 1.00 0.00 C +ATOM 9 CA LYS A 9 213.431 278.413 260.997 1.00 0.00 C +ATOM 10 CA THR A 10 212.928 279.099 264.711 1.00 0.00 C +ATOM 11 CA ILE A 11 209.456 280.298 265.724 1.00 0.00 C +ATOM 12 CA PRO A 12 205.808 279.994 266.780 1.00 0.00 C +ATOM 13 CA SER A 13 205.680 277.924 269.976 1.00 0.00 C +ATOM 14 CA ASN A 14 205.176 274.163 269.639 1.00 0.00 C +ATOM 15 CA LYS A 15 205.188 273.402 265.906 1.00 0.00 C +ATOM 16 CA PRO A 16 204.527 269.892 264.579 1.00 0.00 C +ATOM 17 CA LYS A 17 204.487 267.286 267.357 1.00 0.00 C +ATOM 18 CA LYS A 18 207.846 267.474 269.145 1.00 0.00 C +ATOM 19 CA LYS A 19 211.116 267.496 271.101 1.00 0.00 C +ATOM 20 CA PRO A 20 213.993 268.786 273.240 1.00 0.00 C +ATOM 21 CA THR A 21 217.089 270.991 272.987 1.00 0.00 C +ATOM 22 CA ILE A 22 219.993 269.478 274.936 1.00 0.00 C +ATOM 23 CA LYS A 23 222.651 271.402 276.872 1.00 0.00 C +ATOM 24 CA PRO A 24 225.276 274.162 276.780 1.00 0.00 C +ATOM 25 CA THR A 25 226.787 276.178 273.922 1.00 0.00 C +ATOM 26 CA ASN A 26 227.496 275.597 270.224 1.00 0.00 C +ATOM 27 CA LYS A 27 227.656 276.457 266.516 1.00 0.00 C +ATOM 28 CA PRO A 28 228.190 279.418 264.178 1.00 0.00 C +ATOM 29 CA PRO A 29 231.822 280.570 264.152 1.00 0.00 C +ATOM 30 CA THR A 30 234.874 278.319 264.518 1.00 0.00 C +ATOM 31 CA LYS A 31 237.932 278.912 266.711 1.00 0.00 C +ATOM 32 CA THR A 32 241.180 277.629 265.188 1.00 0.00 C +ATOM 33 CA THR A 33 244.287 275.552 265.931 1.00 0.00 C +ATOM 34 CA ASN A 34 247.878 276.742 266.379 1.00 0.00 C +ATOM 35 CA LYS A 35 249.628 276.714 262.994 1.00 0.00 C +ATOM 36 CA ARG A 36 249.334 277.884 259.380 1.00 0.00 C +ATOM 37 CA ASP A 37 252.648 277.505 257.539 1.00 0.00 C +ATOM 38 CA PRO A 38 254.423 274.166 257.071 1.00 0.00 C +ATOM 39 CA LYS A 39 251.921 272.010 255.171 1.00 0.00 C +ATOM 40 CA THR A 40 251.540 268.538 253.650 1.00 0.00 C +ATOM 41 CA PRO A 41 253.420 266.002 255.784 1.00 0.00 C +ATOM 42 CA ALA A 42 256.616 266.320 257.834 1.00 0.00 C +ATOM 43 CA LYS A 43 257.328 265.887 261.551 1.00 0.00 C +ATOM 44 CA THR A 44 260.779 265.209 263.017 1.00 0.00 C +ATOM 45 CA LEU A 45 262.633 262.317 261.370 1.00 0.00 C +ATOM 46 CA LYS A 46 261.320 260.905 258.084 1.00 0.00 C +ATOM 47 CA LYS A 47 259.996 258.582 255.370 1.00 0.00 C +ATOM 48 CA GLU A 48 257.226 256.265 256.585 1.00 0.00 C +ATOM 49 CA LYS A 49 255.569 253.263 254.923 1.00 0.00 C +ATOM 50 CA GLU A 50 256.778 250.161 253.071 1.00 0.00 C +ATOM 51 CA THR A 51 258.699 246.922 252.490 1.00 0.00 C +ATOM 52 CA THR A 52 260.040 244.570 255.170 1.00 0.00 C +ATOM 53 CA THR A 53 258.698 244.337 258.729 1.00 0.00 C +ATOM 54 CA ASN A 54 255.762 246.178 260.312 1.00 0.00 C +ATOM 55 CA PRO A 55 254.263 249.256 261.984 1.00 0.00 C +ATOM 56 CA THR A 56 254.211 253.001 262.684 1.00 0.00 C +ATOM 57 CA LYS A 57 253.106 255.633 265.207 1.00 0.00 C +ATOM 58 CA LYS A 58 253.595 256.273 268.930 1.00 0.00 C +ATOM 59 CA PRO A 59 255.240 259.418 270.317 1.00 0.00 C +ATOM 60 CA THR A 60 257.126 261.256 267.564 1.00 0.00 C +ATOM 61 CA PRO A 61 257.467 259.617 264.141 1.00 0.00 C +ATOM 62 CA LYS A 62 259.850 256.788 263.226 1.00 0.00 C +ATOM 63 CA THR A 63 263.193 257.396 264.950 1.00 0.00 C +ATOM 64 CA THR A 64 266.291 255.191 264.704 1.00 0.00 C +ATOM 65 CA GLY A 65 268.983 252.686 265.700 1.00 0.00 C +ATOM 66 CA SER A 66 272.072 254.629 266.794 1.00 0.00 C +ATOM 67 CA ASP A 67 273.050 258.108 265.585 1.00 0.00 C +ATOM 68 CA THR A 68 272.699 260.478 268.548 1.00 0.00 C +ATOM 69 CA SER A 69 272.187 264.071 267.390 1.00 0.00 C +ATOM 70 CA THR A 70 271.409 264.710 263.715 1.00 0.00 C +ATOM 71 CA SER A 71 269.399 263.354 260.776 1.00 0.00 C +ATOM 72 CA GLN A 72 268.537 260.149 258.906 1.00 0.00 C +ATOM 73 CA SER A 73 268.881 256.362 259.146 1.00 0.00 C +ATOM 74 CA THR A 74 271.945 254.111 259.396 1.00 0.00 C +ATOM 75 CA VAL A 75 272.451 250.510 260.531 1.00 0.00 C +ATOM 76 CA LEU A 76 275.111 247.995 261.587 1.00 0.00 C +ATOM 77 CA ASP A 77 276.284 244.548 260.466 1.00 0.00 C +ATOM 78 CA THR A 78 275.244 241.295 262.154 1.00 0.00 C +ATOM 79 CA THR A 79 274.894 237.502 262.057 1.00 0.00 C +ATOM 80 CA THR A 80 274.341 234.366 259.966 1.00 0.00 C +ATOM 81 CA SER A 81 274.745 235.086 256.246 1.00 0.00 C +ATOM 82 CA GLU A 82 275.343 236.249 252.667 1.00 0.00 C +ATOM 83 CA HIS A 83 276.433 235.279 249.148 1.00 0.00 C +ATOM 84 CA THR A 84 275.635 231.645 248.324 1.00 0.00 C +ATOM 85 CA ILE A 85 274.675 228.071 247.419 1.00 0.00 C +ATOM 86 CA GLN A 86 277.418 225.555 246.606 1.00 0.00 C +ATOM 87 CA GLN A 87 276.082 222.748 244.404 1.00 0.00 C +ATOM 88 CA GLN A 88 277.497 219.213 244.554 1.00 0.00 C +ATOM 89 CA PHE A 89 274.841 216.512 244.145 1.00 0.00 C +ATOM 90 CA LEU A 90 272.654 213.702 245.502 1.00 0.00 C +ATOM 91 CA HIS A 91 268.849 213.716 245.311 1.00 0.00 C +ATOM 92 CA SER A 92 266.801 215.102 242.413 1.00 0.00 C +ATOM 93 CA THR A 93 265.543 216.563 239.127 1.00 0.00 C +ATOM 94 CA THR A 94 265.640 213.971 236.336 1.00 0.00 C +ATOM 95 CA PRO A 95 265.438 215.628 232.910 1.00 0.00 C +ATOM 96 CA GLU A 96 262.628 214.018 230.902 1.00 0.00 C +ATOM 97 CA ASN A 97 260.935 213.143 227.603 1.00 0.00 C +ATOM 98 CA THR A 98 258.774 214.025 224.592 1.00 0.00 C +ATOM 99 CA PRO A 99 257.539 210.674 223.264 1.00 0.00 C +ATOM 100 CA ASN A 100 259.765 207.673 222.519 1.00 0.00 C +ATOM 101 CA SER A 101 260.984 206.316 219.174 1.00 0.00 C +ATOM 102 CA THR A 102 259.492 208.243 216.245 1.00 0.00 C +ATOM 103 CA GLN A 103 260.842 207.915 212.697 1.00 0.00 C +ATOM 104 CA THR A 104 261.284 210.926 210.405 1.00 0.00 C +ATOM 105 CA PRO A 105 259.232 213.920 209.248 1.00 0.00 C +ATOM 106 CA THR A 106 258.196 213.782 205.584 1.00 0.00 C +ATOM 107 CA ALA A 107 256.221 212.223 202.723 1.00 0.00 C +ATOM 108 CA SER A 108 254.783 215.154 200.759 1.00 0.00 C +ATOM 109 CA GLU A 109 255.701 218.721 201.735 1.00 0.00 C +ATOM 110 CA PRO A 110 255.526 222.347 200.579 1.00 0.00 C +ATOM 111 CA SER A 111 257.682 222.874 197.483 1.00 0.00 C +ATOM 112 CA THR A 112 257.669 222.155 193.741 1.00 0.00 C +ATOM 113 CA SER A 113 261.076 222.678 192.118 1.00 0.00 C +ATOM 114 CA ASN A 114 263.489 224.205 194.641 1.00 0.00 C +ATOM 115 CA SER A 115 264.316 227.365 196.601 1.00 0.00 C +ATOM 116 CA THR A 116 264.466 227.426 200.408 1.00 0.00 C +ATOM 117 CA GLN A 117 267.676 229.051 201.662 1.00 0.00 C +ATOM 118 CA ARG A 118 266.907 231.766 204.222 1.00 0.00 C +ATOM 119 CA LEU A 119 269.826 233.386 206.060 1.00 0.00 C +TER 120 LEU A 119 +END diff --git a/Viruses/Q596I6/Q596I6.dcd b/Viruses/Q596I6/Q596I6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..46f1f3e3968bd5215bb41df769264738c6f67d34 --- /dev/null +++ b/Viruses/Q596I6/Q596I6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6a35889fd3420ac45910d5402d2264f78366db55f37a0e028fe9207cf6445029 +size 14000276 diff --git a/Viruses/Q596I6/top.pdb b/Viruses/Q596I6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f30ab6e8c499ea3fa0ce56b7aa75ed6ea1281a28 --- /dev/null +++ b/Viruses/Q596I6/top.pdb @@ -0,0 +1,114 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA CYS A 1 239.736 236.263 291.420 1.00 0.00 C +ATOM 2 CA LYS A 2 238.163 232.862 290.734 1.00 0.00 C +ATOM 3 CA THR A 3 234.603 232.190 289.555 1.00 0.00 C +ATOM 4 CA ILE A 4 232.040 232.132 286.737 1.00 0.00 C +ATOM 5 CA PRO A 5 233.299 229.726 284.064 1.00 0.00 C +ATOM 6 CA SER A 6 234.777 228.026 280.991 1.00 0.00 C +ATOM 7 CA ASN A 7 233.623 224.788 279.348 1.00 0.00 C +ATOM 8 CA LYS A 8 229.870 224.134 279.393 1.00 0.00 C +ATOM 9 CA PRO A 9 226.488 222.429 278.985 1.00 0.00 C +ATOM 10 CA LYS A 10 223.874 219.821 278.044 1.00 0.00 C +ATOM 11 CA LYS A 11 220.723 220.284 275.953 1.00 0.00 C +ATOM 12 CA LYS A 12 220.588 221.550 272.362 1.00 0.00 C +ATOM 13 CA PRO A 13 219.278 221.270 268.796 1.00 0.00 C +ATOM 14 CA THR A 14 217.660 221.249 265.346 1.00 0.00 C +ATOM 15 CA MET A 15 214.448 223.205 264.737 1.00 0.00 C +ATOM 16 CA LYS A 16 212.414 226.090 263.302 1.00 0.00 C +ATOM 17 CA PRO A 17 209.887 227.343 260.742 1.00 0.00 C +ATOM 18 CA THR A 18 209.229 230.978 261.677 1.00 0.00 C +ATOM 19 CA ASN A 19 212.287 233.042 262.630 1.00 0.00 C +ATOM 20 CA LYS A 20 215.554 234.834 263.424 1.00 0.00 C +ATOM 21 CA PRO A 21 218.914 233.249 264.268 1.00 0.00 C +ATOM 22 CA THR A 22 221.442 233.509 261.429 1.00 0.00 C +ATOM 23 CA THR A 23 221.229 236.527 259.113 1.00 0.00 C +ATOM 24 CA LYS A 24 222.090 236.656 255.404 1.00 0.00 C +ATOM 25 CA THR A 25 224.602 235.761 252.683 1.00 0.00 C +ATOM 26 CA THR A 26 228.349 235.098 252.870 1.00 0.00 C +ATOM 27 CA ASN A 27 231.789 234.350 254.327 1.00 0.00 C +ATOM 28 CA LYS A 28 235.530 234.761 253.730 1.00 0.00 C +ATOM 29 CA ARG A 29 238.000 237.594 254.354 1.00 0.00 C +ATOM 30 CA ASP A 30 240.663 236.911 256.991 1.00 0.00 C +ATOM 31 CA PRO A 31 243.691 234.608 257.206 1.00 0.00 C +ATOM 32 CA LYS A 32 245.251 234.788 260.677 1.00 0.00 C +ATOM 33 CA THR A 33 247.266 238.002 261.036 1.00 0.00 C +ATOM 34 CA PRO A 34 251.033 238.189 260.499 1.00 0.00 C +ATOM 35 CA ALA A 35 254.785 238.290 261.159 1.00 0.00 C +ATOM 36 CA LYS A 36 256.806 237.239 258.105 1.00 0.00 C +ATOM 37 CA THR A 37 259.283 238.535 255.515 1.00 0.00 C +ATOM 38 CA VAL A 38 261.399 238.328 252.354 1.00 0.00 C +ATOM 39 CA LYS A 39 263.555 235.529 250.927 1.00 0.00 C +ATOM 40 CA LYS A 40 263.392 235.167 247.138 1.00 0.00 C +ATOM 41 CA GLU A 41 262.351 231.932 245.417 1.00 0.00 C +ATOM 42 CA SER A 42 262.080 228.835 247.620 1.00 0.00 C +ATOM 43 CA THR A 43 265.395 226.980 247.323 1.00 0.00 C +ATOM 44 CA THR A 44 267.811 228.191 250.008 1.00 0.00 C +ATOM 45 CA ASN A 45 270.975 228.061 252.128 1.00 0.00 C +ATOM 46 CA PRO A 46 272.432 226.129 255.070 1.00 0.00 C +ATOM 47 CA THR A 47 269.927 225.077 257.740 1.00 0.00 C +ATOM 48 CA LYS A 48 266.725 227.120 258.043 1.00 0.00 C +ATOM 49 CA LYS A 49 265.711 230.487 259.508 1.00 0.00 C +ATOM 50 CA PRO A 50 266.097 234.105 258.375 1.00 0.00 C +ATOM 51 CA THR A 51 264.754 237.329 259.897 1.00 0.00 C +ATOM 52 CA LEU A 52 266.860 239.400 262.305 1.00 0.00 C +ATOM 53 CA LYS A 53 270.045 240.479 264.095 1.00 0.00 C +ATOM 54 CA THR A 54 271.667 243.761 263.039 1.00 0.00 C +ATOM 55 CA THR A 55 273.250 247.226 263.005 1.00 0.00 C +ATOM 56 CA GLU A 56 276.650 248.237 261.614 1.00 0.00 C +ATOM 57 CA ARG A 57 280.062 249.371 260.352 1.00 0.00 C +ATOM 58 CA ASP A 58 281.043 252.348 258.187 1.00 0.00 C +ATOM 59 CA THR A 59 278.699 255.169 257.155 1.00 0.00 C +ATOM 60 CA SER A 60 275.769 257.445 256.289 1.00 0.00 C +ATOM 61 CA THR A 61 273.054 257.678 253.626 1.00 0.00 C +ATOM 62 CA PRO A 62 269.314 256.988 253.864 1.00 0.00 C +ATOM 63 CA GLN A 63 266.171 258.802 252.706 1.00 0.00 C +ATOM 64 CA SER A 64 265.867 261.839 254.988 1.00 0.00 C +ATOM 65 CA THR A 65 267.255 262.262 258.511 1.00 0.00 C +ATOM 66 CA ALA A 66 265.564 264.948 260.618 1.00 0.00 C +ATOM 67 CA LEU A 67 261.921 265.166 259.524 1.00 0.00 C +ATOM 68 CA ASP A 68 259.344 267.330 261.309 1.00 0.00 C +ATOM 69 CA THR A 69 258.067 270.715 260.117 1.00 0.00 C +ATOM 70 CA THR A 70 254.652 271.990 259.007 1.00 0.00 C +ATOM 71 CA THR A 71 252.080 273.525 256.652 1.00 0.00 C +ATOM 72 CA SER A 72 249.342 272.338 254.283 1.00 0.00 C +ATOM 73 CA LYS A 73 250.180 270.747 250.924 1.00 0.00 C +ATOM 74 CA HIS A 74 249.474 267.979 248.404 1.00 0.00 C +ATOM 75 CA THR A 75 251.667 266.710 245.558 1.00 0.00 C +ATOM 76 CA ILE A 76 255.377 266.153 246.224 1.00 0.00 C +ATOM 77 CA GLN A 77 256.267 268.432 249.146 1.00 0.00 C +ATOM 78 CA GLN A 78 258.615 271.301 248.270 1.00 0.00 C +ATOM 79 CA GLN A 79 259.967 273.875 245.807 1.00 0.00 C +ATOM 80 CA SER A 80 257.873 275.401 243.014 1.00 0.00 C +ATOM 81 CA LEU A 81 256.178 278.354 241.305 1.00 0.00 C +ATOM 82 CA HIS A 82 254.555 276.834 238.211 1.00 0.00 C +ATOM 83 CA SER A 83 255.238 276.285 234.503 1.00 0.00 C +ATOM 84 CA THR A 84 257.073 277.335 231.334 1.00 0.00 C +ATOM 85 CA THR A 85 259.729 274.722 230.538 1.00 0.00 C +ATOM 86 CA PRO A 86 262.780 272.441 230.630 1.00 0.00 C +ATOM 87 CA GLU A 87 265.618 271.054 228.500 1.00 0.00 C +ATOM 88 CA ASN A 88 267.142 272.063 225.157 1.00 0.00 C +ATOM 89 CA THR A 89 268.981 270.014 222.524 1.00 0.00 C +ATOM 90 CA PRO A 90 268.130 266.383 221.745 1.00 0.00 C +ATOM 91 CA ASN A 91 265.386 264.479 223.579 1.00 0.00 C +ATOM 92 CA SER A 92 262.328 266.682 224.139 1.00 0.00 C +ATOM 93 CA THR A 93 260.147 268.938 226.299 1.00 0.00 C +ATOM 94 CA GLN A 94 256.859 270.825 226.683 1.00 0.00 C +ATOM 95 CA ILE A 95 254.688 270.884 223.552 1.00 0.00 C +ATOM 96 CA PRO A 96 254.321 274.176 221.669 1.00 0.00 C +ATOM 97 CA THR A 97 255.267 277.648 222.919 1.00 0.00 C +ATOM 98 CA VAL A 98 253.793 280.199 220.503 1.00 0.00 C +ATOM 99 CA SER A 99 252.411 279.300 217.068 1.00 0.00 C +ATOM 100 CA GLU A 100 252.600 276.215 214.841 1.00 0.00 C +ATOM 101 CA PRO A 101 249.760 273.703 214.462 1.00 0.00 C +ATOM 102 CA SER A 102 246.021 274.403 214.247 1.00 0.00 C +ATOM 103 CA THR A 103 243.020 273.320 212.165 1.00 0.00 C +ATOM 104 CA LEU A 104 241.422 270.242 213.742 1.00 0.00 C +ATOM 105 CA ASN A 105 243.712 267.196 213.735 1.00 0.00 C +ATOM 106 CA GLY A 106 244.249 263.555 212.749 1.00 0.00 C +ATOM 107 CA THR A 107 241.866 261.258 214.636 1.00 0.00 C +ATOM 108 CA GLN A 108 238.107 260.914 214.119 1.00 0.00 C +ATOM 109 CA LYS A 109 236.242 262.637 216.960 1.00 0.00 C +ATOM 110 CA THR A 110 234.413 260.775 219.735 1.00 0.00 C +TER 111 THR A 110 +END diff --git a/Viruses/Q5BND6/Q5BND6.dcd b/Viruses/Q5BND6/Q5BND6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..5ab72a6fccd21db9212bfbe950815b33aa888e89 --- /dev/null +++ b/Viruses/Q5BND6/Q5BND6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5de43ce1f24fb4ea752d74914365b0cb41724227b154a166ae98fa46a05fbbe9 +size 11240276 diff --git a/Viruses/Q5BND6/top.pdb b/Viruses/Q5BND6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4a87ef2d92fe647be237a39e2bb94d133eeca751 --- /dev/null +++ b/Viruses/Q5BND6/top.pdb @@ -0,0 +1,91 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LYS A 1 286.687 226.633 263.023 1.00 0.00 C +ATOM 2 CA LYS A 2 285.386 230.201 262.717 1.00 0.00 C +ATOM 3 CA ASP A 3 281.579 230.334 262.786 1.00 0.00 C +ATOM 4 CA PRO A 4 278.984 231.082 260.098 1.00 0.00 C +ATOM 5 CA LYS A 5 278.886 229.277 256.744 1.00 0.00 C +ATOM 6 CA PRO A 6 280.380 225.791 257.109 1.00 0.00 C +ATOM 7 CA GLN A 7 280.101 222.392 258.807 1.00 0.00 C +ATOM 8 CA THR A 8 278.248 220.807 261.734 1.00 0.00 C +ATOM 9 CA THR A 9 274.608 221.170 262.801 1.00 0.00 C +ATOM 10 CA LYS A 10 271.596 219.016 263.697 1.00 0.00 C +ATOM 11 CA PRO A 11 268.915 217.236 261.657 1.00 0.00 C +ATOM 12 CA LYS A 12 266.468 215.792 259.119 1.00 0.00 C +ATOM 13 CA GLU A 13 264.099 217.271 256.527 1.00 0.00 C +ATOM 14 CA VAL A 14 261.874 219.659 254.561 1.00 0.00 C +ATOM 15 CA HIS A 15 261.569 221.578 251.284 1.00 0.00 C +ATOM 16 CA THR A 16 263.186 224.996 251.751 1.00 0.00 C +ATOM 17 CA THR A 17 263.670 226.827 248.444 1.00 0.00 C +ATOM 18 CA LYS A 18 263.450 229.237 245.502 1.00 0.00 C +ATOM 19 CA PRO A 19 262.985 232.999 245.881 1.00 0.00 C +ATOM 20 CA THR A 20 264.054 236.513 246.896 1.00 0.00 C +ATOM 21 CA GLU A 21 263.396 240.180 246.098 1.00 0.00 C +ATOM 22 CA LYS A 22 264.721 243.391 244.534 1.00 0.00 C +ATOM 23 CA PRO A 23 264.480 246.979 245.792 1.00 0.00 C +ATOM 24 CA THR A 24 262.619 249.900 244.205 1.00 0.00 C +ATOM 25 CA ILE A 25 262.293 253.696 244.206 1.00 0.00 C +ATOM 26 CA ASN A 26 260.103 256.647 245.212 1.00 0.00 C +ATOM 27 CA THR A 27 260.988 260.325 244.764 1.00 0.00 C +ATOM 28 CA THR A 28 259.437 261.987 241.706 1.00 0.00 C +ATOM 29 CA LYS A 29 258.475 265.673 241.686 1.00 0.00 C +ATOM 30 CA THR A 30 257.511 267.474 238.470 1.00 0.00 C +ATOM 31 CA ASN A 31 256.359 266.512 234.969 1.00 0.00 C +ATOM 32 CA ILE A 32 256.900 262.937 233.767 1.00 0.00 C +ATOM 33 CA LYS A 33 260.497 261.875 234.442 1.00 0.00 C +ATOM 34 CA THR A 34 262.577 265.043 234.829 1.00 0.00 C +ATOM 35 CA THR A 35 266.116 264.814 236.219 1.00 0.00 C +ATOM 36 CA LEU A 36 266.997 267.995 238.122 1.00 0.00 C +ATOM 37 CA LEU A 37 269.832 268.140 240.664 1.00 0.00 C +ATOM 38 CA THR A 38 273.233 266.875 241.824 1.00 0.00 C +ATOM 39 CA SER A 39 272.962 263.270 243.025 1.00 0.00 C +ATOM 40 CA ASN A 40 273.128 259.614 241.963 1.00 0.00 C +ATOM 41 CA THR A 41 270.136 257.588 243.170 1.00 0.00 C +ATOM 42 CA THR A 42 267.303 258.989 245.297 1.00 0.00 C +ATOM 43 CA GLY A 43 266.515 257.246 248.592 1.00 0.00 C +ATOM 44 CA ASN A 44 263.882 257.308 251.345 1.00 0.00 C +ATOM 45 CA PRO A 45 261.539 257.253 254.349 1.00 0.00 C +ATOM 46 CA GLU A 46 258.069 256.082 255.400 1.00 0.00 C +ATOM 47 CA ASN A 47 254.867 257.784 256.566 1.00 0.00 C +ATOM 48 CA THR A 48 252.464 260.551 257.611 1.00 0.00 C +ATOM 49 CA SER A 49 252.233 264.295 256.947 1.00 0.00 C +ATOM 50 CA GLN A 50 249.140 265.729 258.649 1.00 0.00 C +ATOM 51 CA LYS A 51 246.056 263.492 258.623 1.00 0.00 C +ATOM 52 CA GLU A 52 244.605 260.161 257.475 1.00 0.00 C +ATOM 53 CA THR A 53 241.322 260.747 255.633 1.00 0.00 C +ATOM 54 CA LEU A 54 239.616 257.808 253.911 1.00 0.00 C +ATOM 55 CA HIS A 55 236.182 256.245 253.380 1.00 0.00 C +ATOM 56 CA SER A 56 232.516 255.502 254.106 1.00 0.00 C +ATOM 57 CA THR A 57 230.438 258.227 255.770 1.00 0.00 C +ATOM 58 CA THR A 58 230.989 261.987 256.041 1.00 0.00 C +ATOM 59 CA PRO A 59 232.946 264.635 257.958 1.00 0.00 C +ATOM 60 CA GLU A 60 236.317 265.006 256.222 1.00 0.00 C +ATOM 61 CA GLY A 61 236.732 268.548 254.880 1.00 0.00 C +ATOM 62 CA ASN A 62 235.425 272.020 254.011 1.00 0.00 C +ATOM 63 CA PRO A 63 236.573 274.402 251.268 1.00 0.00 C +ATOM 64 CA SER A 64 236.649 273.488 247.570 1.00 0.00 C +ATOM 65 CA PRO A 65 237.501 272.679 243.945 1.00 0.00 C +ATOM 66 CA SER A 66 237.096 268.910 243.559 1.00 0.00 C +ATOM 67 CA GLN A 67 233.883 268.016 245.400 1.00 0.00 C +ATOM 68 CA VAL A 68 233.521 268.374 249.176 1.00 0.00 C +ATOM 69 CA TYR A 69 233.115 264.955 250.807 1.00 0.00 C +ATOM 70 CA THR A 70 231.332 262.166 248.920 1.00 0.00 C +ATOM 71 CA THR A 71 230.122 259.217 246.832 1.00 0.00 C +ATOM 72 CA SER A 72 229.327 259.682 243.135 1.00 0.00 C +ATOM 73 CA GLU A 73 225.898 258.960 241.640 1.00 0.00 C +ATOM 74 CA TYR A 74 222.402 257.673 240.837 1.00 0.00 C +ATOM 75 CA LEU A 75 220.620 254.447 241.801 1.00 0.00 C +ATOM 76 CA SER A 76 218.127 251.577 242.055 1.00 0.00 C +ATOM 77 CA GLN A 77 217.344 248.041 243.239 1.00 0.00 C +ATOM 78 CA SER A 78 219.915 245.257 243.634 1.00 0.00 C +ATOM 79 CA LEU A 79 218.255 241.828 243.713 1.00 0.00 C +ATOM 80 CA SER A 80 215.882 238.892 244.225 1.00 0.00 C +ATOM 81 CA PRO A 81 215.805 238.300 247.988 1.00 0.00 C +ATOM 82 CA SER A 82 218.271 237.047 250.608 1.00 0.00 C +ATOM 83 CA ASN A 83 217.847 237.337 254.383 1.00 0.00 C +ATOM 84 CA THR A 84 215.434 235.685 256.825 1.00 0.00 C +ATOM 85 CA THR A 85 213.587 236.803 259.964 1.00 0.00 C +ATOM 86 CA GLU A 86 210.683 235.043 261.690 1.00 0.00 C +ATOM 87 CA TRP A 87 212.171 231.884 263.214 1.00 0.00 C +TER 88 TRP A 87 +END diff --git a/Viruses/Q5DKQ8/Q5DKQ8.dcd b/Viruses/Q5DKQ8/Q5DKQ8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..283c9dc0334f76c0ac4224719d843ca7af1c9b15 --- /dev/null +++ b/Viruses/Q5DKQ8/Q5DKQ8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1d6908a60bd15911e43a2f9f1a79bd7f844939508662984bb02063ff00ce3ab8 +size 19640276 diff --git a/Viruses/Q5DKQ8/top.pdb b/Viruses/Q5DKQ8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1698950c4cce63a992178e3ad878dd3b607d5dcb --- /dev/null +++ b/Viruses/Q5DKQ8/top.pdb @@ -0,0 +1,161 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 302.433 269.263 274.933 1.00 0.00 C +ATOM 2 CA PRO A 2 299.837 266.628 274.022 1.00 0.00 C +ATOM 3 CA GLY A 3 296.513 267.510 272.381 1.00 0.00 C +ATOM 4 CA PRO A 4 293.714 269.397 270.614 1.00 0.00 C +ATOM 5 CA PRO A 5 291.106 271.609 268.936 1.00 0.00 C +ATOM 6 CA SER A 6 288.128 271.597 266.559 1.00 0.00 C +ATOM 7 CA GLU A 7 285.768 271.387 263.575 1.00 0.00 C +ATOM 8 CA SER A 8 285.337 269.070 260.582 1.00 0.00 C +ATOM 9 CA ARG A 9 283.016 269.470 257.587 1.00 0.00 C +ATOM 10 CA ARG A 10 280.274 270.231 255.053 1.00 0.00 C +ATOM 11 CA GLN A 11 281.087 268.266 251.891 1.00 0.00 C +ATOM 12 CA LYS A 12 279.233 269.293 248.725 1.00 0.00 C +ATOM 13 CA ARG A 13 275.576 269.330 247.656 1.00 0.00 C +ATOM 14 CA PRO A 14 272.341 270.721 249.109 1.00 0.00 C +ATOM 15 CA SER A 15 268.877 269.154 249.364 1.00 0.00 C +ATOM 16 CA THR A 16 265.660 267.479 250.529 1.00 0.00 C +ATOM 17 CA PRO A 17 262.576 267.219 248.306 1.00 0.00 C +ATOM 18 CA SER A 18 261.309 267.596 244.733 1.00 0.00 C +ATOM 19 CA LEU A 19 257.856 266.560 243.500 1.00 0.00 C +ATOM 20 CA TRP A 20 254.566 266.946 245.383 1.00 0.00 C +ATOM 21 CA SER A 21 255.241 265.407 248.802 1.00 0.00 C +ATOM 22 CA THR A 22 252.721 262.828 250.031 1.00 0.00 C +ATOM 23 CA SER A 23 249.374 263.043 251.839 1.00 0.00 C +ATOM 24 CA VAL A 24 246.953 265.950 251.387 1.00 0.00 C +ATOM 25 CA LEU A 25 243.336 264.955 252.056 1.00 0.00 C +ATOM 26 CA THR A 26 239.764 265.409 253.301 1.00 0.00 C +ATOM 27 CA ARG A 27 238.562 268.930 252.479 1.00 0.00 C +ATOM 28 CA ALA A 28 237.816 268.912 248.743 1.00 0.00 C +ATOM 29 CA LEU A 29 235.492 267.818 245.929 1.00 0.00 C +ATOM 30 CA PRO A 30 232.982 265.029 245.267 1.00 0.00 C +ATOM 31 CA GLN A 31 231.726 261.434 245.385 1.00 0.00 C +ATOM 32 CA PRO A 32 230.039 260.580 242.078 1.00 0.00 C +ATOM 33 CA PRO A 33 231.411 257.293 240.725 1.00 0.00 C +ATOM 34 CA ALA A 34 233.219 254.263 239.286 1.00 0.00 C +ATOM 35 CA SER A 35 236.059 251.854 238.485 1.00 0.00 C +ATOM 36 CA LEU A 36 236.679 250.744 234.893 1.00 0.00 C +ATOM 37 CA GLU A 37 236.424 248.777 231.640 1.00 0.00 C +ATOM 38 CA PRO A 38 237.865 245.410 230.591 1.00 0.00 C +ATOM 39 CA PRO A 39 239.170 244.461 227.139 1.00 0.00 C +ATOM 40 CA PRO A 40 241.541 242.405 224.979 1.00 0.00 C +ATOM 41 CA PRO A 41 244.140 240.381 223.065 1.00 0.00 C +ATOM 42 CA PRO A 42 246.282 242.541 220.770 1.00 0.00 C +ATOM 43 CA PRO A 43 249.201 240.853 218.998 1.00 0.00 C +ATOM 44 CA SER A 44 252.787 241.941 218.310 1.00 0.00 C +ATOM 45 CA PRO A 45 253.436 245.674 217.911 1.00 0.00 C +ATOM 46 CA CYS A 46 254.273 249.065 216.389 1.00 0.00 C +ATOM 47 CA PRO A 47 255.017 250.144 212.811 1.00 0.00 C +ATOM 48 CA PRO A 48 253.312 253.361 211.691 1.00 0.00 C +ATOM 49 CA TRP A 49 250.521 253.596 209.108 1.00 0.00 C +ATOM 50 CA PRO A 50 250.652 253.728 205.303 1.00 0.00 C +ATOM 51 CA GLU A 51 248.170 254.678 202.572 1.00 0.00 C +ATOM 52 CA PRO A 52 249.958 256.603 199.813 1.00 0.00 C +ATOM 53 CA PHE A 53 249.398 257.047 196.070 1.00 0.00 C +ATOM 54 CA TRP A 54 248.239 258.383 192.696 1.00 0.00 C +ATOM 55 CA SER A 55 244.572 259.320 192.252 1.00 0.00 C +ATOM 56 CA TRP A 56 244.017 262.573 194.155 1.00 0.00 C +ATOM 57 CA TYR A 57 242.228 264.206 197.096 1.00 0.00 C +ATOM 58 CA PRO A 58 242.282 266.524 200.119 1.00 0.00 C +ATOM 59 CA SER A 59 239.928 267.831 202.815 1.00 0.00 C +ATOM 60 CA GLU A 60 240.712 271.056 204.684 1.00 0.00 C +ATOM 61 CA SER A 61 242.442 270.192 207.967 1.00 0.00 C +ATOM 62 CA SER A 62 245.776 269.807 209.771 1.00 0.00 C +ATOM 63 CA VAL A 63 248.081 267.382 211.593 1.00 0.00 C +ATOM 64 CA GLY A 64 247.502 264.887 214.414 1.00 0.00 C +ATOM 65 CA THR A 65 245.403 262.782 216.798 1.00 0.00 C +ATOM 66 CA SER A 66 242.679 261.857 219.296 1.00 0.00 C +ATOM 67 CA PRO A 67 243.135 262.550 223.015 1.00 0.00 C +ATOM 68 CA SER A 68 246.418 264.450 223.378 1.00 0.00 C +ATOM 69 CA THR A 69 246.156 268.237 223.703 1.00 0.00 C +ATOM 70 CA SER A 70 245.329 270.309 226.791 1.00 0.00 C +ATOM 71 CA GLY A 71 245.323 269.889 230.578 1.00 0.00 C +ATOM 72 CA MET A 72 246.183 270.374 234.258 1.00 0.00 C +ATOM 73 CA LEU A 73 246.819 270.903 237.977 1.00 0.00 C +ATOM 74 CA ALA A 74 245.796 272.088 241.450 1.00 0.00 C +ATOM 75 CA SER A 75 243.522 269.742 243.411 1.00 0.00 C +ATOM 76 CA PRO A 76 244.063 269.682 247.182 1.00 0.00 C +ATOM 77 CA PRO A 77 244.171 273.188 248.671 1.00 0.00 C +ATOM 78 CA THR A 78 243.328 275.826 251.287 1.00 0.00 C +ATOM 79 CA PRO A 79 242.026 278.345 253.832 1.00 0.00 C +ATOM 80 CA PRO A 80 240.944 276.298 256.858 1.00 0.00 C +ATOM 81 CA ARG A 81 238.237 277.302 259.344 1.00 0.00 C +ATOM 82 CA LEU A 82 235.006 278.586 257.786 1.00 0.00 C +ATOM 83 CA HIS A 83 232.578 281.169 259.184 1.00 0.00 C +ATOM 84 CA GLY A 84 234.444 283.578 261.472 1.00 0.00 C +ATOM 85 CA LYS A 85 234.247 283.691 265.275 1.00 0.00 C +ATOM 86 CA LEU A 86 237.760 284.547 266.475 1.00 0.00 C +ATOM 87 CA GLY A 87 240.113 284.148 269.445 1.00 0.00 C +ATOM 88 CA ILE A 88 240.840 280.451 270.008 1.00 0.00 C +ATOM 89 CA SER A 89 239.507 277.419 271.891 1.00 0.00 C +ATOM 90 CA GLN A 90 237.951 274.042 271.058 1.00 0.00 C +ATOM 91 CA ARG A 91 237.248 273.984 267.314 1.00 0.00 C +ATOM 92 CA THR A 92 239.529 271.899 265.086 1.00 0.00 C +ATOM 93 CA ARG A 93 241.301 270.811 261.893 1.00 0.00 C +ATOM 94 CA SER A 94 244.936 271.863 262.337 1.00 0.00 C +ATOM 95 CA LEU A 95 245.712 274.281 265.178 1.00 0.00 C +ATOM 96 CA PRO A 96 246.258 272.704 268.603 1.00 0.00 C +ATOM 97 CA ALA A 97 247.584 269.165 268.118 1.00 0.00 C +ATOM 98 CA SER A 98 248.745 265.581 267.547 1.00 0.00 C +ATOM 99 CA ILE A 99 252.055 264.303 268.934 1.00 0.00 C +ATOM 100 CA SER A 100 254.156 265.392 271.920 1.00 0.00 C +ATOM 101 CA SER A 101 257.035 264.446 274.230 1.00 0.00 C +ATOM 102 CA MET A 102 255.609 262.015 276.793 1.00 0.00 C +ATOM 103 CA GLY A 103 251.935 261.348 276.035 1.00 0.00 C +ATOM 104 CA SER A 104 249.985 258.227 277.022 1.00 0.00 C +ATOM 105 CA SER A 105 247.387 255.442 276.903 1.00 0.00 C +ATOM 106 CA THR A 106 248.316 252.793 274.327 1.00 0.00 C +ATOM 107 CA ARG A 107 247.833 249.108 275.166 1.00 0.00 C +ATOM 108 CA PRO A 108 248.998 245.569 274.368 1.00 0.00 C +ATOM 109 CA PRO A 109 246.371 242.980 275.323 1.00 0.00 C +ATOM 110 CA SER A 110 244.275 239.840 275.836 1.00 0.00 C +ATOM 111 CA SER A 111 246.272 236.596 275.864 1.00 0.00 C +ATOM 112 CA HIS A 112 249.183 236.765 273.411 1.00 0.00 C +ATOM 113 CA PRO A 113 249.563 238.467 270.024 1.00 0.00 C +ATOM 114 CA ARG A 114 252.805 238.985 268.092 1.00 0.00 C +ATOM 115 CA GLY A 115 254.757 235.713 268.095 1.00 0.00 C +ATOM 116 CA SER A 116 257.564 234.445 265.853 1.00 0.00 C +ATOM 117 CA SER A 117 259.682 231.315 266.337 1.00 0.00 C +ATOM 118 CA GLY A 118 260.699 227.665 265.937 1.00 0.00 C +ATOM 119 CA SER A 119 260.044 223.940 266.393 1.00 0.00 C +ATOM 120 CA PRO A 120 261.453 220.517 267.298 1.00 0.00 C +ATOM 121 CA ARG A 121 262.446 218.186 270.144 1.00 0.00 C +ATOM 122 CA LYS A 122 265.328 215.827 269.342 1.00 0.00 C +ATOM 123 CA GLN A 123 268.943 216.067 270.521 1.00 0.00 C +ATOM 124 CA ASN A 124 272.298 216.541 268.778 1.00 0.00 C +ATOM 125 CA GLY A 125 272.634 220.147 267.597 1.00 0.00 C +ATOM 126 CA SER A 126 269.258 221.154 266.145 1.00 0.00 C +ATOM 127 CA PRO A 127 266.660 222.234 263.576 1.00 0.00 C +ATOM 128 CA THR A 128 264.457 221.973 260.478 1.00 0.00 C +ATOM 129 CA GLN A 129 261.299 220.275 259.191 1.00 0.00 C +ATOM 130 CA PRO A 130 259.516 217.294 260.758 1.00 0.00 C +ATOM 131 CA PRO A 131 257.699 215.203 263.373 1.00 0.00 C +ATOM 132 CA SER A 132 254.816 213.137 261.980 1.00 0.00 C +ATOM 133 CA PRO A 133 251.278 212.016 262.840 1.00 0.00 C +ATOM 134 CA SER A 134 247.708 210.812 262.273 1.00 0.00 C +ATOM 135 CA THR A 135 247.364 207.088 263.003 1.00 0.00 C +ATOM 136 CA SER A 136 250.596 205.422 261.867 1.00 0.00 C +ATOM 137 CA LEU A 137 250.046 202.409 259.602 1.00 0.00 C +ATOM 138 CA ARG A 138 248.992 198.847 260.451 1.00 0.00 C +ATOM 139 CA GLN A 139 245.852 197.886 262.384 1.00 0.00 C +ATOM 140 CA PRO A 140 244.362 198.125 265.882 1.00 0.00 C +ATOM 141 CA PRO A 141 240.892 199.610 265.363 1.00 0.00 C +ATOM 142 CA SER A 142 238.430 201.102 267.858 1.00 0.00 C +ATOM 143 CA ALA A 143 240.063 204.360 268.968 1.00 0.00 C +ATOM 144 CA PRO A 144 237.367 206.965 269.647 1.00 0.00 C +ATOM 145 CA THR A 145 237.516 209.500 266.807 1.00 0.00 C +ATOM 146 CA SER A 146 240.189 209.713 264.101 1.00 0.00 C +ATOM 147 CA ARG A 147 240.796 211.097 260.603 1.00 0.00 C +ATOM 148 CA PRO A 148 238.602 212.370 257.760 1.00 0.00 C +ATOM 149 CA PRO A 149 236.308 215.401 258.011 1.00 0.00 C +ATOM 150 CA PRO A 150 234.203 218.136 259.625 1.00 0.00 C +ATOM 151 CA PRO A 151 231.800 216.748 262.236 1.00 0.00 C +ATOM 152 CA SER A 152 228.945 218.532 264.019 1.00 0.00 C +ATOM 153 CA LEU A 153 226.943 220.457 261.410 1.00 0.00 C +ATOM 154 CA PRO A 154 227.480 219.641 257.728 1.00 0.00 C +ATOM 155 CA VAL A 155 226.257 216.725 255.603 1.00 0.00 C +ATOM 156 CA GLY A 156 227.778 213.257 256.024 1.00 0.00 C +ATOM 157 CA ASP A 157 231.102 212.127 254.543 1.00 0.00 C +TER 158 ASP A 157 +END diff --git a/Viruses/Q5DRF7/Q5DRF7.dcd b/Viruses/Q5DRF7/Q5DRF7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..add5d3c02117f811b54cce444e87c33dda5b0cbf --- /dev/null +++ b/Viruses/Q5DRF7/Q5DRF7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8fbecc25c392615e58c1f047695edac15d9e55f96c4a63093c816816918446e3 +size 13280276 diff --git a/Viruses/Q5DRF7/top.pdb b/Viruses/Q5DRF7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..563afbd159cbcbdc6ec5368ca27125bf7900373f --- /dev/null +++ b/Viruses/Q5DRF7/top.pdb @@ -0,0 +1,108 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LEU A 1 210.098 290.854 271.490 1.00 0.00 C +ATOM 2 CA HIS A 2 212.232 293.695 270.115 1.00 0.00 C +ATOM 3 CA ALA A 3 214.073 294.034 266.796 1.00 0.00 C +ATOM 4 CA GLN A 4 216.550 291.793 264.964 1.00 0.00 C +ATOM 5 CA SER A 5 216.824 290.759 261.307 1.00 0.00 C +ATOM 6 CA ALA A 6 217.994 287.134 261.382 1.00 0.00 C +ATOM 7 CA TYR A 7 220.939 285.094 262.680 1.00 0.00 C +ATOM 8 CA THR A 8 221.345 283.387 266.062 1.00 0.00 C +ATOM 9 CA CYS A 9 219.545 285.689 268.508 1.00 0.00 C +ATOM 10 CA ALA A 10 217.202 285.380 271.496 1.00 0.00 C +ATOM 11 CA SER A 11 216.850 285.993 275.240 1.00 0.00 C +ATOM 12 CA THR A 12 219.657 286.391 277.785 1.00 0.00 C +ATOM 13 CA ASN A 13 221.523 283.236 278.826 1.00 0.00 C +ATOM 14 CA ALA A 14 223.137 280.601 276.597 1.00 0.00 C +ATOM 15 CA ASP A 15 225.146 279.358 273.608 1.00 0.00 C +ATOM 16 CA THR A 16 224.869 275.900 272.032 1.00 0.00 C +ATOM 17 CA SER A 17 224.062 276.184 268.319 1.00 0.00 C +ATOM 18 CA ALA A 18 223.132 272.779 266.885 1.00 0.00 C +ATOM 19 CA SER A 19 221.190 269.545 267.415 1.00 0.00 C +ATOM 20 CA THR A 20 218.991 267.985 264.723 1.00 0.00 C +ATOM 21 CA ASN A 21 217.279 266.254 261.793 1.00 0.00 C +ATOM 22 CA ALA A 22 216.187 264.005 258.917 1.00 0.00 C +ATOM 23 CA ASP A 23 215.583 260.512 257.522 1.00 0.00 C +ATOM 24 CA THR A 24 217.329 257.140 257.205 1.00 0.00 C +ATOM 25 CA SER A 25 219.290 254.026 258.191 1.00 0.00 C +ATOM 26 CA ALA A 26 221.765 251.140 258.431 1.00 0.00 C +ATOM 27 CA SER A 27 224.895 251.740 260.519 1.00 0.00 C +ATOM 28 CA THR A 28 228.498 251.085 261.571 1.00 0.00 C +ATOM 29 CA ASN A 29 230.649 249.862 264.468 1.00 0.00 C +ATOM 30 CA ALA A 30 234.370 250.682 264.463 1.00 0.00 C +ATOM 31 CA ASP A 31 235.889 252.052 267.677 1.00 0.00 C +ATOM 32 CA THR A 32 239.570 251.584 268.543 1.00 0.00 C +ATOM 33 CA SER A 33 242.499 250.707 266.269 1.00 0.00 C +ATOM 34 CA ALA A 34 244.788 247.662 266.194 1.00 0.00 C +ATOM 35 CA SER A 35 246.397 245.119 268.531 1.00 0.00 C +ATOM 36 CA THR A 36 248.045 242.321 266.539 1.00 0.00 C +ATOM 37 CA ASN A 37 251.587 241.852 265.215 1.00 0.00 C +ATOM 38 CA ALA A 38 253.563 239.058 263.541 1.00 0.00 C +ATOM 39 CA SER A 39 257.132 238.460 262.349 1.00 0.00 C +ATOM 40 CA ILE A 40 260.318 236.666 261.276 1.00 0.00 C +ATOM 41 CA ASN A 41 261.471 236.555 257.646 1.00 0.00 C +ATOM 42 CA ALA A 42 259.761 235.675 254.358 1.00 0.00 C +ATOM 43 CA ASP A 43 257.910 232.347 254.240 1.00 0.00 C +ATOM 44 CA THR A 44 259.005 230.427 251.137 1.00 0.00 C +ATOM 45 CA ASN A 45 256.192 229.467 248.754 1.00 0.00 C +ATOM 46 CA VAL A 46 257.064 226.051 247.310 1.00 0.00 C +ATOM 47 CA ASP A 47 258.401 226.537 243.776 1.00 0.00 C +ATOM 48 CA THR A 48 259.968 229.748 242.455 1.00 0.00 C +ATOM 49 CA CYS A 49 258.784 232.965 244.119 1.00 0.00 C +ATOM 50 CA ALA A 50 257.613 236.324 245.484 1.00 0.00 C +ATOM 51 CA SER A 51 259.451 239.634 245.907 1.00 0.00 C +ATOM 52 CA THR A 52 262.248 240.291 248.409 1.00 0.00 C +ATOM 53 CA ASN A 53 264.659 240.303 251.359 1.00 0.00 C +ATOM 54 CA ALA A 54 268.020 238.868 252.437 1.00 0.00 C +ATOM 55 CA SER A 55 271.088 239.914 254.440 1.00 0.00 C +ATOM 56 CA THR A 56 271.930 243.519 255.341 1.00 0.00 C +ATOM 57 CA ASN A 57 273.824 246.808 255.008 1.00 0.00 C +ATOM 58 CA VAL A 58 274.916 247.429 251.412 1.00 0.00 C +ATOM 59 CA ASP A 59 275.482 250.861 249.857 1.00 0.00 C +ATOM 60 CA THR A 60 277.893 252.723 247.569 1.00 0.00 C +ATOM 61 CA ASN A 61 280.982 251.932 245.482 1.00 0.00 C +ATOM 62 CA ALA A 62 282.634 252.363 242.076 1.00 0.00 C +ATOM 63 CA SER A 63 280.710 251.745 238.846 1.00 0.00 C +ATOM 64 CA ILE A 64 278.725 249.636 236.370 1.00 0.00 C +ATOM 65 CA ASN A 65 276.634 248.901 233.272 1.00 0.00 C +ATOM 66 CA ALA A 66 273.587 250.204 231.391 1.00 0.00 C +ATOM 67 CA SER A 67 270.862 252.660 232.419 1.00 0.00 C +ATOM 68 CA THR A 68 271.286 253.928 235.986 1.00 0.00 C +ATOM 69 CA ASN A 69 271.886 251.919 239.167 1.00 0.00 C +ATOM 70 CA ALA A 70 272.265 248.131 239.007 1.00 0.00 C +ATOM 71 CA SER A 71 272.696 246.047 242.168 1.00 0.00 C +ATOM 72 CA THR A 72 269.959 243.399 242.267 1.00 0.00 C +ATOM 73 CA ASN A 73 266.530 241.808 242.745 1.00 0.00 C +ATOM 74 CA VAL A 74 266.791 238.265 241.369 1.00 0.00 C +ATOM 75 CA ASP A 75 267.795 234.641 240.756 1.00 0.00 C +ATOM 76 CA THR A 76 268.744 231.901 238.285 1.00 0.00 C +ATOM 77 CA ASN A 77 270.566 228.709 237.279 1.00 0.00 C +ATOM 78 CA ALA A 78 271.253 228.136 233.575 1.00 0.00 C +ATOM 79 CA SER A 79 272.902 230.950 231.606 1.00 0.00 C +ATOM 80 CA THR A 80 271.347 233.656 229.420 1.00 0.00 C +ATOM 81 CA ASN A 81 269.966 236.784 231.100 1.00 0.00 C +ATOM 82 CA ALA A 82 268.684 239.161 233.788 1.00 0.00 C +ATOM 83 CA ASP A 83 268.598 241.796 236.538 1.00 0.00 C +ATOM 84 CA ILE A 84 265.291 243.591 237.139 1.00 0.00 C +ATOM 85 CA ASN A 85 266.144 246.991 238.631 1.00 0.00 C +ATOM 86 CA ALA A 86 263.205 249.415 238.564 1.00 0.00 C +ATOM 87 CA ASN A 87 262.821 252.222 236.016 1.00 0.00 C +ATOM 88 CA THR A 88 259.854 251.984 233.638 1.00 0.00 C +ATOM 89 CA ASN A 89 259.771 249.096 231.153 1.00 0.00 C +ATOM 90 CA ALA A 90 262.174 248.242 228.323 1.00 0.00 C +ATOM 91 CA ASP A 91 264.639 245.464 227.473 1.00 0.00 C +ATOM 92 CA ILE A 92 264.279 241.978 228.968 1.00 0.00 C +ATOM 93 CA ASN A 93 262.547 238.594 228.719 1.00 0.00 C +ATOM 94 CA ALA A 94 258.995 237.525 227.850 1.00 0.00 C +ATOM 95 CA ASN A 95 256.506 235.246 229.618 1.00 0.00 C +ATOM 96 CA ILE A 96 255.320 233.645 232.866 1.00 0.00 C +ATOM 97 CA ASN A 97 254.219 230.113 231.956 1.00 0.00 C +ATOM 98 CA ALA A 98 251.473 227.898 233.396 1.00 0.00 C +ATOM 99 CA ASN A 99 249.010 229.502 235.821 1.00 0.00 C +ATOM 100 CA THR A 100 245.542 230.630 234.718 1.00 0.00 C +ATOM 101 CA GLU A 101 242.702 228.101 234.493 1.00 0.00 C +ATOM 102 CA TYR A 102 239.837 225.889 235.683 1.00 0.00 C +ATOM 103 CA THR A 103 237.667 222.757 235.643 1.00 0.00 C +ATOM 104 CA ASP A 104 235.928 220.283 237.960 1.00 0.00 C +TER 105 ASP A 104 +END diff --git a/Viruses/Q5EM22/Q5EM22.dcd b/Viruses/Q5EM22/Q5EM22.dcd new file mode 100644 index 0000000000000000000000000000000000000000..7e1cc6e656ad9ce041a4e45b2d43d4a8e690fad0 --- /dev/null +++ b/Viruses/Q5EM22/Q5EM22.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9150ddffa34800af83f9fe6b2467f0601eefcf55e1b37b99164f683b8cfe64d3 +size 17720276 diff --git a/Viruses/Q5EM22/top.pdb b/Viruses/Q5EM22/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..70cd36eeb123e408c1eab0cf771751171deaf66e --- /dev/null +++ b/Viruses/Q5EM22/top.pdb @@ -0,0 +1,145 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA CYS A 1 308.125 203.244 221.361 1.00 0.00 C +ATOM 2 CA ARG A 2 310.829 205.904 221.712 1.00 0.00 C +ATOM 3 CA ARG A 3 311.103 209.622 222.499 1.00 0.00 C +ATOM 4 CA SER A 4 309.595 213.110 222.775 1.00 0.00 C +ATOM 5 CA THR A 5 309.258 216.869 223.296 1.00 0.00 C +ATOM 6 CA ARG A 6 306.448 217.421 225.809 1.00 0.00 C +ATOM 7 CA GLY A 7 308.202 218.143 229.113 1.00 0.00 C +ATOM 8 CA GLY A 8 306.865 215.510 231.520 1.00 0.00 C +ATOM 9 CA ASP A 9 303.805 216.070 233.720 1.00 0.00 C +ATOM 10 CA ASP A 10 300.608 216.070 231.648 1.00 0.00 C +ATOM 11 CA ASP A 11 299.004 218.704 229.410 1.00 0.00 C +ATOM 12 CA ASP A 12 296.257 220.347 231.477 1.00 0.00 C +ATOM 13 CA ASP A 13 297.893 222.473 234.183 1.00 0.00 C +ATOM 14 CA ASP A 14 296.086 225.828 234.235 1.00 0.00 C +ATOM 15 CA ASP A 15 292.712 227.536 233.774 1.00 0.00 C +ATOM 16 CA ASP A 16 289.987 224.938 234.359 1.00 0.00 C +ATOM 17 CA GLY A 17 287.511 225.459 237.207 1.00 0.00 C +ATOM 18 CA GLY A 18 287.029 222.221 239.158 1.00 0.00 C +ATOM 19 CA THR A 19 286.134 218.534 238.816 1.00 0.00 C +ATOM 20 CA PHE A 20 284.120 217.486 241.875 1.00 0.00 C +ATOM 21 CA ASP A 21 281.210 219.882 242.433 1.00 0.00 C +ATOM 22 CA THR A 22 278.600 219.343 245.156 1.00 0.00 C +ATOM 23 CA VAL A 23 275.815 217.336 246.808 1.00 0.00 C +ATOM 24 CA GLY A 24 274.942 214.068 248.562 1.00 0.00 C +ATOM 25 CA SER A 25 271.699 212.079 248.768 1.00 0.00 C +ATOM 26 CA GLY A 26 268.163 211.467 247.486 1.00 0.00 C +ATOM 27 CA ILE A 27 265.770 214.273 248.443 1.00 0.00 C +ATOM 28 CA LEU A 28 263.219 214.896 251.203 1.00 0.00 C +ATOM 29 CA GLY A 29 260.838 213.314 253.721 1.00 0.00 C +ATOM 30 CA ARG A 30 257.114 213.573 252.958 1.00 0.00 C +ATOM 31 CA LYS A 31 254.505 214.923 255.384 1.00 0.00 C +ATOM 32 CA LYS A 32 253.577 218.093 257.283 1.00 0.00 C +ATOM 33 CA ARG A 33 255.014 221.556 256.603 1.00 0.00 C +ATOM 34 CA ALA A 34 256.766 222.872 253.486 1.00 0.00 C +ATOM 35 CA ALA A 35 259.245 225.117 251.662 1.00 0.00 C +ATOM 36 CA PRO A 36 260.497 228.478 252.948 1.00 0.00 C +ATOM 37 CA PRO A 37 260.318 228.817 256.739 1.00 0.00 C +ATOM 38 CA PRO A 38 258.629 230.202 259.861 1.00 0.00 C +ATOM 39 CA GLU A 39 256.978 229.189 263.142 1.00 0.00 C +ATOM 40 CA ASP A 40 256.634 232.014 265.675 1.00 0.00 C +ATOM 41 CA GLU A 41 258.700 234.156 268.054 1.00 0.00 C +ATOM 42 CA GLU A 42 261.357 236.717 267.107 1.00 0.00 C +ATOM 43 CA GLU A 43 263.110 240.099 267.033 1.00 0.00 C +ATOM 44 CA ASP A 44 262.316 243.469 268.623 1.00 0.00 C +ATOM 45 CA GLU A 45 264.377 246.584 269.373 1.00 0.00 C +ATOM 46 CA PHE A 46 265.612 249.432 267.165 1.00 0.00 C +ATOM 47 CA TYR A 47 266.430 248.817 263.495 1.00 0.00 C +ATOM 48 CA ARG A 48 267.057 245.184 262.535 1.00 0.00 C +ATOM 49 CA LYS A 49 267.103 244.143 258.871 1.00 0.00 C +ATOM 50 CA LYS A 50 264.409 241.465 258.577 1.00 0.00 C +ATOM 51 CA ARG A 51 261.511 240.479 260.845 1.00 0.00 C +ATOM 52 CA ALA A 52 257.779 241.048 261.361 1.00 0.00 C +ATOM 53 CA ALA A 53 254.310 240.121 262.635 1.00 0.00 C +ATOM 54 CA PRO A 54 251.422 237.671 262.222 1.00 0.00 C +ATOM 55 CA PRO A 55 248.187 239.390 261.177 1.00 0.00 C +ATOM 56 CA PRO A 56 244.784 238.175 259.969 1.00 0.00 C +ATOM 57 CA GLU A 57 242.161 239.925 262.107 1.00 0.00 C +ATOM 58 CA ASP A 58 239.852 241.877 259.789 1.00 0.00 C +ATOM 59 CA GLU A 59 238.984 244.037 256.773 1.00 0.00 C +ATOM 60 CA GLU A 60 239.958 244.072 253.090 1.00 0.00 C +ATOM 61 CA GLU A 61 242.312 245.525 250.470 1.00 0.00 C +ATOM 62 CA ASP A 62 244.225 243.947 247.577 1.00 0.00 C +ATOM 63 CA ASP A 63 244.765 243.214 243.878 1.00 0.00 C +ATOM 64 CA PHE A 64 247.524 245.571 242.715 1.00 0.00 C +ATOM 65 CA TYR A 65 246.038 249.011 242.025 1.00 0.00 C +ATOM 66 CA ARG A 66 248.330 251.624 240.464 1.00 0.00 C +ATOM 67 CA LYS A 67 247.660 255.370 240.636 1.00 0.00 C +ATOM 68 CA LYS A 68 244.369 257.032 239.675 1.00 0.00 C +ATOM 69 CA ARG A 69 242.236 257.321 242.819 1.00 0.00 C +ATOM 70 CA ALA A 70 240.468 260.458 244.063 1.00 0.00 C +ATOM 71 CA ALA A 71 240.439 263.987 242.629 1.00 0.00 C +ATOM 72 CA PRO A 72 242.544 266.876 243.947 1.00 0.00 C +ATOM 73 CA PRO A 73 244.173 270.211 243.087 1.00 0.00 C +ATOM 74 CA PRO A 74 245.687 269.679 239.631 1.00 0.00 C +ATOM 75 CA GLU A 75 249.221 268.299 239.985 1.00 0.00 C +ATOM 76 CA ASP A 76 252.846 267.807 241.048 1.00 0.00 C +ATOM 77 CA GLU A 77 254.937 266.687 244.030 1.00 0.00 C +ATOM 78 CA GLU A 78 256.813 268.715 246.654 1.00 0.00 C +ATOM 79 CA GLU A 79 258.291 271.111 249.220 1.00 0.00 C +ATOM 80 CA ASP A 80 260.654 269.848 251.929 1.00 0.00 C +ATOM 81 CA GLU A 81 261.121 268.329 255.391 1.00 0.00 C +ATOM 82 CA PHE A 82 258.354 266.018 256.626 1.00 0.00 C +ATOM 83 CA TYR A 83 254.706 266.033 257.722 1.00 0.00 C +ATOM 84 CA ARG A 84 252.505 265.356 260.758 1.00 0.00 C +ATOM 85 CA LYS A 85 248.969 263.945 260.894 1.00 0.00 C +ATOM 86 CA LYS A 86 245.791 264.067 262.993 1.00 0.00 C +ATOM 87 CA ARG A 87 244.020 267.128 264.413 1.00 0.00 C +ATOM 88 CA ALA A 88 241.942 268.683 261.624 1.00 0.00 C +ATOM 89 CA ALA A 89 243.515 269.776 258.330 1.00 0.00 C +ATOM 90 CA PRO A 90 243.043 269.618 254.553 1.00 0.00 C +ATOM 91 CA PRO A 91 244.824 267.509 251.927 1.00 0.00 C +ATOM 92 CA PRO A 92 242.122 265.510 250.135 1.00 0.00 C +ATOM 93 CA GLU A 93 243.174 261.863 249.805 1.00 0.00 C +ATOM 94 CA ASP A 94 241.409 259.563 252.277 1.00 0.00 C +ATOM 95 CA GLU A 95 239.322 256.807 253.878 1.00 0.00 C +ATOM 96 CA GLU A 96 236.329 254.453 253.766 1.00 0.00 C +ATOM 97 CA GLU A 97 234.716 251.834 251.517 1.00 0.00 C +ATOM 98 CA ASP A 98 233.979 251.391 247.805 1.00 0.00 C +ATOM 99 CA ASP A 99 230.511 251.252 246.233 1.00 0.00 C +ATOM 100 CA PHE A 100 227.271 252.780 244.935 1.00 0.00 C +ATOM 101 CA TYR A 101 224.577 254.025 247.324 1.00 0.00 C +ATOM 102 CA ARG A 102 223.076 254.548 250.786 1.00 0.00 C +ATOM 103 CA LYS A 103 220.400 257.092 251.726 1.00 0.00 C +ATOM 104 CA LYS A 104 220.040 258.410 255.282 1.00 0.00 C +ATOM 105 CA ARG A 105 223.085 259.106 257.463 1.00 0.00 C +ATOM 106 CA ALA A 106 225.982 259.949 255.136 1.00 0.00 C +ATOM 107 CA ALA A 107 229.112 259.986 257.307 1.00 0.00 C +ATOM 108 CA PRO A 108 229.943 263.490 258.553 1.00 0.00 C +ATOM 109 CA PRO A 109 229.443 266.929 260.115 1.00 0.00 C +ATOM 110 CA PRO A 110 231.918 267.889 262.847 1.00 0.00 C +ATOM 111 CA GLU A 111 232.130 266.463 266.374 1.00 0.00 C +ATOM 112 CA ASP A 112 230.706 263.913 268.820 1.00 0.00 C +ATOM 113 CA GLU A 113 230.581 260.474 267.185 1.00 0.00 C +ATOM 114 CA GLU A 114 232.545 260.669 263.927 1.00 0.00 C +ATOM 115 CA GLU A 115 235.003 258.724 261.760 1.00 0.00 C +ATOM 116 CA ASP A 116 235.358 260.222 258.276 1.00 0.00 C +ATOM 117 CA ASP A 117 235.587 262.813 255.491 1.00 0.00 C +ATOM 118 CA PHE A 118 234.169 265.424 253.106 1.00 0.00 C +ATOM 119 CA TYR A 119 235.364 269.041 253.200 1.00 0.00 C +ATOM 120 CA ARG A 120 234.176 272.307 254.761 1.00 0.00 C +ATOM 121 CA LYS A 121 233.905 276.079 254.295 1.00 0.00 C +ATOM 122 CA LYS A 122 232.025 277.982 251.582 1.00 0.00 C +ATOM 123 CA ARG A 123 229.761 280.971 252.253 1.00 0.00 C +ATOM 124 CA ALA A 124 227.545 283.815 253.486 1.00 0.00 C +ATOM 125 CA ALA A 125 224.406 283.896 255.643 1.00 0.00 C +ATOM 126 CA PRO A 126 220.840 284.916 256.515 1.00 0.00 C +ATOM 127 CA PRO A 127 218.485 284.876 253.520 1.00 0.00 C +ATOM 128 CA PRO A 128 217.952 281.605 251.640 1.00 0.00 C +ATOM 129 CA GLU A 129 218.518 282.415 247.961 1.00 0.00 C +ATOM 130 CA ASP A 130 216.881 282.786 244.541 1.00 0.00 C +ATOM 131 CA GLU A 131 213.287 282.761 243.276 1.00 0.00 C +ATOM 132 CA GLU A 132 211.011 282.254 246.289 1.00 0.00 C +ATOM 133 CA GLU A 133 207.238 282.777 246.332 1.00 0.00 C +ATOM 134 CA ASP A 134 203.448 283.170 246.322 1.00 0.00 C +ATOM 135 CA ASP A 135 202.306 283.158 242.687 1.00 0.00 C +ATOM 136 CA PHE A 136 201.527 285.916 240.176 1.00 0.00 C +ATOM 137 CA TYR A 137 199.811 288.574 238.054 1.00 0.00 C +ATOM 138 CA ARG A 138 197.869 291.625 239.253 1.00 0.00 C +ATOM 139 CA LYS A 139 194.140 291.898 239.986 1.00 0.00 C +ATOM 140 CA LYS A 140 191.642 293.891 242.060 1.00 0.00 C +ATOM 141 CA ARG A 141 192.529 295.106 245.560 1.00 0.00 C +TER 142 ARG A 141 +END diff --git a/Viruses/Q5EWN0/Q5EWN0.dcd b/Viruses/Q5EWN0/Q5EWN0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..01ba5aec0025908808a8027f1193028357dd63ef --- /dev/null +++ b/Viruses/Q5EWN0/Q5EWN0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c3b7c2e461c7cfeb40e75b2cf7c8886f0072cdf975697e16b9c704cd3a1eb218 +size 9680276 diff --git a/Viruses/Q5EWN0/top.pdb b/Viruses/Q5EWN0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..51cc8d2da767c869e78aebc8677392062f32a5fd --- /dev/null +++ b/Viruses/Q5EWN0/top.pdb @@ -0,0 +1,78 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA VAL A 1 233.536 241.343 211.037 1.00 0.00 C +ATOM 2 CA ARG A 2 235.974 241.646 213.949 1.00 0.00 C +ATOM 3 CA ALA A 3 238.062 238.668 215.085 1.00 0.00 C +ATOM 4 CA ASN A 4 241.557 237.291 215.718 1.00 0.00 C +ATOM 5 CA GLY A 5 244.692 235.482 216.907 1.00 0.00 C +ATOM 6 CA THR A 6 246.428 232.092 216.780 1.00 0.00 C +ATOM 7 CA ARG A 7 244.959 228.804 218.024 1.00 0.00 C +ATOM 8 CA PRO A 8 244.212 226.022 220.517 1.00 0.00 C +ATOM 9 CA HIS A 9 245.283 226.583 224.130 1.00 0.00 C +ATOM 10 CA GLN A 10 248.431 225.266 225.826 1.00 0.00 C +ATOM 11 CA SER A 11 248.588 224.831 229.607 1.00 0.00 C +ATOM 12 CA GLY A 12 249.805 227.812 231.644 1.00 0.00 C +ATOM 13 CA LYS A 13 250.510 231.545 231.933 1.00 0.00 C +ATOM 14 CA ILE A 14 253.637 233.703 232.223 1.00 0.00 C +ATOM 15 CA PRO A 15 252.693 236.620 234.485 1.00 0.00 C +ATOM 16 CA GLY A 16 254.385 237.088 237.867 1.00 0.00 C +ATOM 17 CA GLY A 17 252.974 234.564 240.347 1.00 0.00 C +ATOM 18 CA ARG A 18 255.124 231.797 241.843 1.00 0.00 C +ATOM 19 CA ARG A 19 255.956 228.156 242.596 1.00 0.00 C +ATOM 20 CA ARG A 20 255.031 225.770 245.419 1.00 0.00 C +ATOM 21 CA SER A 21 256.637 222.337 245.811 1.00 0.00 C +ATOM 22 CA PRO A 22 260.283 222.522 244.721 1.00 0.00 C +ATOM 23 CA ASP A 23 263.810 223.679 245.578 1.00 0.00 C +ATOM 24 CA THR A 24 267.312 225.087 245.056 1.00 0.00 C +ATOM 25 CA THR A 25 268.635 228.279 243.450 1.00 0.00 C +ATOM 26 CA THR A 26 270.157 231.718 244.059 1.00 0.00 C +ATOM 27 CA GLY A 27 267.364 234.104 245.071 1.00 0.00 C +ATOM 28 CA THR A 28 263.959 234.636 246.697 1.00 0.00 C +ATOM 29 CA ILE A 29 262.148 231.353 247.372 1.00 0.00 C +ATOM 30 CA GLY A 30 259.134 230.350 249.475 1.00 0.00 C +ATOM 31 CA VAL A 31 255.484 230.918 250.407 1.00 0.00 C +ATOM 32 CA THR A 32 254.117 234.468 250.204 1.00 0.00 C +ATOM 33 CA LYS A 33 252.411 237.536 248.724 1.00 0.00 C +ATOM 34 CA THR A 34 254.043 239.423 245.844 1.00 0.00 C +ATOM 35 CA THR A 35 253.187 242.976 244.768 1.00 0.00 C +ATOM 36 CA GLU A 36 253.173 246.149 246.877 1.00 0.00 C +ATOM 37 CA GLY A 37 251.946 245.418 250.409 1.00 0.00 C +ATOM 38 CA PRO A 38 249.528 244.622 253.244 1.00 0.00 C +ATOM 39 CA LYS A 39 246.970 247.022 254.733 1.00 0.00 C +ATOM 40 CA GLU A 40 247.581 250.780 254.854 1.00 0.00 C +ATOM 41 CA CYS A 41 251.046 252.360 254.967 1.00 0.00 C +ATOM 42 CA ILE A 42 251.258 255.847 253.448 1.00 0.00 C +ATOM 43 CA ASP A 43 250.836 257.620 250.102 1.00 0.00 C +ATOM 44 CA PRO A 44 253.750 258.137 247.703 1.00 0.00 C +ATOM 45 CA THR A 45 256.664 260.196 249.042 1.00 0.00 C +ATOM 46 CA SER A 46 256.146 261.662 252.521 1.00 0.00 C +ATOM 47 CA ARG A 47 255.571 264.158 255.341 1.00 0.00 C +ATOM 48 CA PRO A 48 254.856 262.407 258.648 1.00 0.00 C +ATOM 49 CA ALA A 49 251.258 261.207 259.004 1.00 0.00 C +ATOM 50 CA PRO A 50 248.168 262.725 260.636 1.00 0.00 C +ATOM 51 CA GLU A 51 247.626 260.923 263.949 1.00 0.00 C +ATOM 52 CA GLY A 52 244.235 260.056 265.452 1.00 0.00 C +ATOM 53 CA PRO A 53 241.359 258.227 267.156 1.00 0.00 C +ATOM 54 CA GLN A 54 238.937 256.644 269.635 1.00 0.00 C +ATOM 55 CA GLU A 55 235.769 258.374 270.855 1.00 0.00 C +ATOM 56 CA GLU A 56 235.171 261.727 269.146 1.00 0.00 C +ATOM 57 CA PRO A 57 236.705 264.084 266.576 1.00 0.00 C +ATOM 58 CA LEU A 58 240.118 265.616 267.299 1.00 0.00 C +ATOM 59 CA HIS A 59 241.715 268.727 265.788 1.00 0.00 C +ATOM 60 CA ASP A 60 240.224 272.104 264.843 1.00 0.00 C +ATOM 61 CA LEU A 61 238.211 274.442 267.078 1.00 0.00 C +ATOM 62 CA ARG A 62 238.463 277.346 269.531 1.00 0.00 C +ATOM 63 CA PRO A 63 236.223 280.342 270.256 1.00 0.00 C +ATOM 64 CA ARG A 64 237.863 283.748 270.731 1.00 0.00 C +ATOM 65 CA PRO A 65 238.682 286.672 268.430 1.00 0.00 C +ATOM 66 CA ALA A 66 242.323 287.768 268.667 1.00 0.00 C +ATOM 67 CA ASN A 67 245.151 285.309 269.356 1.00 0.00 C +ATOM 68 CA ARG A 68 248.914 284.904 269.800 1.00 0.00 C +ATOM 69 CA LYS A 69 249.571 283.720 273.362 1.00 0.00 C +ATOM 70 CA GLY A 70 252.012 280.825 273.782 1.00 0.00 C +ATOM 71 CA ALA A 71 254.432 279.538 271.136 1.00 0.00 C +ATOM 72 CA ALA A 72 256.035 276.097 271.458 1.00 0.00 C +ATOM 73 CA VAL A 73 259.544 274.715 271.997 1.00 0.00 C +ATOM 74 CA GLU A 74 261.452 273.316 269.011 1.00 0.00 C +TER 75 GLU A 74 +END diff --git a/Viruses/Q5EWN1/Q5EWN1.dcd b/Viruses/Q5EWN1/Q5EWN1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f072e80f6c873637c52dd76ecc52cab57013fe97 --- /dev/null +++ b/Viruses/Q5EWN1/Q5EWN1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c43c4883fbcf20dfbd80f53b17fc6be03eb9b2b7019fe9000b3e0b1333ebfa0a +size 9800276 diff --git a/Viruses/Q5EWN1/top.pdb b/Viruses/Q5EWN1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d70aea9aaf63bb2997f18339140762b635f45a70 --- /dev/null +++ b/Viruses/Q5EWN1/top.pdb @@ -0,0 +1,79 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LEU A 1 235.596 289.667 230.548 1.00 0.00 C +ATOM 2 CA TYR A 2 232.262 288.400 231.889 1.00 0.00 C +ATOM 3 CA GLY A 3 232.910 287.545 235.545 1.00 0.00 C +ATOM 4 CA ALA A 4 234.406 284.584 237.419 1.00 0.00 C +ATOM 5 CA ASN A 5 235.350 280.895 237.548 1.00 0.00 C +ATOM 6 CA GLY A 6 234.725 277.144 237.785 1.00 0.00 C +ATOM 7 CA ASN A 7 231.643 276.380 235.679 1.00 0.00 C +ATOM 8 CA ALA A 8 228.057 276.483 236.960 1.00 0.00 C +ATOM 9 CA THR A 9 227.135 274.608 240.146 1.00 0.00 C +ATOM 10 CA LEU A 10 226.426 275.740 243.715 1.00 0.00 C +ATOM 11 CA SER A 11 223.796 278.496 243.789 1.00 0.00 C +ATOM 12 CA SER A 12 220.214 279.542 243.022 1.00 0.00 C +ATOM 13 CA ALA A 13 219.101 277.970 239.735 1.00 0.00 C +ATOM 14 CA ARG A 14 218.077 275.039 237.526 1.00 0.00 C +ATOM 15 CA ILE A 15 215.021 272.835 238.091 1.00 0.00 C +ATOM 16 CA PRO A 16 211.881 270.901 239.046 1.00 0.00 C +ATOM 17 CA GLY A 17 212.045 268.852 242.255 1.00 0.00 C +ATOM 18 CA GLY A 18 214.793 268.617 244.883 1.00 0.00 C +ATOM 19 CA ARG A 19 216.726 268.302 248.151 1.00 0.00 C +ATOM 20 CA ARG A 20 217.601 264.793 249.352 1.00 0.00 C +ATOM 21 CA ARG A 21 219.644 262.062 251.049 1.00 0.00 C +ATOM 22 CA SER A 22 220.382 258.389 250.356 1.00 0.00 C +ATOM 23 CA PRO A 23 220.089 254.593 250.517 1.00 0.00 C +ATOM 24 CA ASP A 24 221.578 251.234 249.510 1.00 0.00 C +ATOM 25 CA THR A 25 223.323 249.554 246.568 1.00 0.00 C +ATOM 26 CA THR A 26 224.571 245.984 247.029 1.00 0.00 C +ATOM 27 CA THR A 27 223.343 242.479 246.181 1.00 0.00 C +ATOM 28 CA GLY A 28 222.865 238.744 246.767 1.00 0.00 C +ATOM 29 CA THR A 29 223.795 236.549 243.795 1.00 0.00 C +ATOM 30 CA ILE A 30 225.189 233.169 242.723 1.00 0.00 C +ATOM 31 CA GLY A 31 228.695 233.955 241.456 1.00 0.00 C +ATOM 32 CA VAL A 32 232.433 234.602 241.809 1.00 0.00 C +ATOM 33 CA THR A 33 234.657 232.810 244.331 1.00 0.00 C +ATOM 34 CA LYS A 34 238.375 232.438 245.075 1.00 0.00 C +ATOM 35 CA THR A 35 241.117 231.209 242.733 1.00 0.00 C +ATOM 36 CA THR A 36 244.909 231.068 242.388 1.00 0.00 C +ATOM 37 CA GLU A 37 248.484 230.155 243.337 1.00 0.00 C +ATOM 38 CA GLY A 38 251.038 232.692 244.585 1.00 0.00 C +ATOM 39 CA PRO A 39 254.517 232.265 246.079 1.00 0.00 C +ATOM 40 CA LYS A 40 254.705 234.960 248.765 1.00 0.00 C +ATOM 41 CA GLU A 41 251.368 236.769 249.090 1.00 0.00 C +ATOM 42 CA CYS A 42 249.341 236.321 252.285 1.00 0.00 C +ATOM 43 CA ILE A 43 251.580 237.481 255.141 1.00 0.00 C +ATOM 44 CA ASP A 44 250.731 238.562 258.694 1.00 0.00 C +ATOM 45 CA PRO A 45 248.750 238.971 261.923 1.00 0.00 C +ATOM 46 CA THR A 46 249.899 236.771 264.813 1.00 0.00 C +ATOM 47 CA SER A 47 253.682 236.367 265.011 1.00 0.00 C +ATOM 48 CA ARG A 48 256.383 236.736 267.673 1.00 0.00 C +ATOM 49 CA PRO A 49 259.696 234.909 268.120 1.00 0.00 C +ATOM 50 CA ALA A 50 260.426 231.406 266.812 1.00 0.00 C +ATOM 51 CA PRO A 51 260.061 229.236 263.701 1.00 0.00 C +ATOM 52 CA GLU A 52 261.376 229.777 260.166 1.00 0.00 C +ATOM 53 CA GLY A 53 264.786 230.603 258.681 1.00 0.00 C +ATOM 54 CA PRO A 54 266.672 232.835 256.237 1.00 0.00 C +ATOM 55 CA GLN A 55 268.829 231.353 253.468 1.00 0.00 C +ATOM 56 CA GLU A 56 272.396 230.101 253.941 1.00 0.00 C +ATOM 57 CA GLU A 57 275.576 228.003 253.952 1.00 0.00 C +ATOM 58 CA PRO A 58 278.725 227.494 251.868 1.00 0.00 C +ATOM 59 CA LEU A 59 281.916 228.471 250.031 1.00 0.00 C +ATOM 60 CA HIS A 60 284.635 230.966 250.981 1.00 0.00 C +ATOM 61 CA ASP A 61 286.005 232.735 254.065 1.00 0.00 C +ATOM 62 CA LEU A 62 285.647 234.564 257.388 1.00 0.00 C +ATOM 63 CA ARG A 63 286.717 238.132 258.187 1.00 0.00 C +ATOM 64 CA PRO A 64 288.740 239.607 261.059 1.00 0.00 C +ATOM 65 CA ARG A 65 291.792 241.644 260.034 1.00 0.00 C +ATOM 66 CA PRO A 66 294.769 243.846 260.933 1.00 0.00 C +ATOM 67 CA ALA A 67 294.050 247.408 259.788 1.00 0.00 C +ATOM 68 CA ASN A 68 293.444 248.177 256.106 1.00 0.00 C +ATOM 69 CA ARG A 69 292.502 251.865 255.930 1.00 0.00 C +ATOM 70 CA LYS A 70 291.351 255.491 256.132 1.00 0.00 C +ATOM 71 CA GLY A 71 289.364 257.540 258.655 1.00 0.00 C +ATOM 72 CA ALA A 72 291.036 259.958 261.078 1.00 0.00 C +ATOM 73 CA ALA A 73 290.580 263.370 259.446 1.00 0.00 C +ATOM 74 CA VAL A 74 292.570 266.529 260.209 1.00 0.00 C +ATOM 75 CA GLU A 75 293.130 270.297 260.266 1.00 0.00 C +TER 76 GLU A 75 +END diff --git a/Viruses/Q5FXX2/Q5FXX2.dcd b/Viruses/Q5FXX2/Q5FXX2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..50f8cd85e1b141fd4ffd87ccfd93d41dc015f175 --- /dev/null +++ b/Viruses/Q5FXX2/Q5FXX2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:38b38bb21342184db70c7065e8ee3c4998f4197b3276d1104b0a4070cb7f5fc7 +size 8000276 diff --git a/Viruses/Q5FXX2/top.pdb b/Viruses/Q5FXX2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d04b5a7ab05ee2b893051874cf4a2fb79b6361c1 --- /dev/null +++ b/Viruses/Q5FXX2/top.pdb @@ -0,0 +1,64 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA PHE A 1 219.145 250.487 245.639 1.00 0.00 C +ATOM 2 CA PHE A 2 221.141 250.632 242.397 1.00 0.00 C +ATOM 3 CA ARG A 3 223.542 253.360 241.252 1.00 0.00 C +ATOM 4 CA GLU A 4 224.518 254.206 237.668 1.00 0.00 C +ATOM 5 CA ASN A 5 228.144 253.704 236.609 1.00 0.00 C +ATOM 6 CA LEU A 6 229.242 250.058 236.724 1.00 0.00 C +ATOM 7 CA ALA A 7 229.696 246.466 237.911 1.00 0.00 C +ATOM 8 CA PHE A 8 230.069 242.701 238.363 1.00 0.00 C +ATOM 9 CA PRO A 9 231.876 239.396 238.931 1.00 0.00 C +ATOM 10 CA GLU A 10 232.024 236.009 240.670 1.00 0.00 C +ATOM 11 CA GLY A 11 228.948 234.878 242.613 1.00 0.00 C +ATOM 12 CA GLU A 12 226.308 237.617 242.413 1.00 0.00 C +ATOM 13 CA ALA A 13 223.921 240.304 241.150 1.00 0.00 C +ATOM 14 CA ARG A 14 224.091 243.421 243.334 1.00 0.00 C +ATOM 15 CA GLU A 15 225.624 245.475 246.154 1.00 0.00 C +ATOM 16 CA PHE A 16 225.810 244.118 249.709 1.00 0.00 C +ATOM 17 CA PRO A 17 225.749 246.736 252.475 1.00 0.00 C +ATOM 18 CA SER A 18 222.817 248.945 253.496 1.00 0.00 C +ATOM 19 CA GLU A 19 223.416 252.276 255.247 1.00 0.00 C +ATOM 20 CA GLN A 20 226.614 251.761 257.252 1.00 0.00 C +ATOM 21 CA THR A 21 229.459 253.970 256.010 1.00 0.00 C +ATOM 22 CA ARG A 22 231.180 257.141 254.785 1.00 0.00 C +ATOM 23 CA ALA A 23 232.898 256.484 251.448 1.00 0.00 C +ATOM 24 CA ASN A 24 235.209 255.475 248.592 1.00 0.00 C +ATOM 25 CA SER A 25 238.759 254.442 249.515 1.00 0.00 C +ATOM 26 CA PRO A 26 240.566 251.398 248.105 1.00 0.00 C +ATOM 27 CA THR A 27 244.021 252.656 247.108 1.00 0.00 C +ATOM 28 CA CYS A 28 247.158 250.988 248.485 1.00 0.00 C +ATOM 29 CA ARG A 29 246.660 247.630 250.213 1.00 0.00 C +ATOM 30 CA GLU A 30 248.167 246.601 253.558 1.00 0.00 C +ATOM 31 CA ALA A 31 250.785 244.638 255.511 1.00 0.00 C +ATOM 32 CA ARG A 32 254.438 244.689 256.590 1.00 0.00 C +ATOM 33 CA ALA A 33 256.266 248.019 256.887 1.00 0.00 C +ATOM 34 CA ASN A 34 259.364 249.702 255.444 1.00 0.00 C +ATOM 35 CA SER A 35 262.498 249.045 257.509 1.00 0.00 C +ATOM 36 CA PRO A 36 264.971 251.929 257.230 1.00 0.00 C +ATOM 37 CA THR A 37 263.796 253.996 254.252 1.00 0.00 C +ATOM 38 CA SER A 38 264.758 257.678 254.432 1.00 0.00 C +ATOM 39 CA ARG A 39 268.275 259.100 254.078 1.00 0.00 C +ATOM 40 CA GLU A 40 268.188 261.804 251.395 1.00 0.00 C +ATOM 41 CA LEU A 41 269.446 265.400 251.354 1.00 0.00 C +ATOM 42 CA GLN A 42 271.537 267.397 248.873 1.00 0.00 C +ATOM 43 CA VAL A 43 275.298 266.805 249.000 1.00 0.00 C +ATOM 44 CA ARG A 44 276.029 264.752 245.875 1.00 0.00 C +ATOM 45 CA GLY A 45 279.217 262.676 246.095 1.00 0.00 C +ATOM 46 CA ASP A 46 280.469 261.759 249.574 1.00 0.00 C +ATOM 47 CA LYS A 47 281.461 258.646 251.534 1.00 0.00 C +ATOM 48 CA PRO A 48 283.205 255.718 249.829 1.00 0.00 C +ATOM 49 CA PHE A 49 280.852 253.270 248.101 1.00 0.00 C +ATOM 50 CA LEU A 50 278.761 250.661 249.927 1.00 0.00 C +ATOM 51 CA ARG A 51 279.889 247.146 248.981 1.00 0.00 C +ATOM 52 CA SER A 52 277.980 244.663 251.151 1.00 0.00 C +ATOM 53 CA ARG A 53 274.392 245.919 251.407 1.00 0.00 C +ATOM 54 CA SER A 54 271.936 243.706 253.300 1.00 0.00 C +ATOM 55 CA ARG A 55 268.323 242.913 254.212 1.00 0.00 C +ATOM 56 CA GLU A 56 267.328 243.201 257.878 1.00 0.00 C +ATOM 57 CA THR A 57 264.533 243.567 260.442 1.00 0.00 C +ATOM 58 CA GLY A 58 263.101 240.244 261.635 1.00 0.00 C +ATOM 59 CA ASN A 59 262.328 237.344 263.982 1.00 0.00 C +ATOM 60 CA PRO A 60 263.804 234.280 265.700 1.00 0.00 C +TER 61 PRO A 60 +END diff --git a/Viruses/Q5G246/Q5G246.dcd b/Viruses/Q5G246/Q5G246.dcd new file mode 100644 index 0000000000000000000000000000000000000000..9d70f8ce1cdd7149c11d1396257515240c3881a2 --- /dev/null +++ b/Viruses/Q5G246/Q5G246.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9d66634853f2e25cff3989ba7e66a669059db7c15a19532806590c3453bbfbf3 +size 6680276 diff --git a/Viruses/Q5G246/top.pdb b/Viruses/Q5G246/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..de451f93f3dc1a29970a7f07fe3667e244d3f486 --- /dev/null +++ b/Viruses/Q5G246/top.pdb @@ -0,0 +1,53 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA HIS A 1 233.840 269.564 232.084 1.00 0.00 C +ATOM 2 CA THR A 2 235.108 266.467 230.263 1.00 0.00 C +ATOM 3 CA PRO A 3 232.197 264.534 228.745 1.00 0.00 C +ATOM 4 CA SER A 4 230.385 263.124 225.703 1.00 0.00 C +ATOM 5 CA PRO A 5 230.908 261.003 222.582 1.00 0.00 C +ATOM 6 CA TYR A 6 232.255 257.522 223.346 1.00 0.00 C +ATOM 7 CA SER A 7 231.761 256.379 226.947 1.00 0.00 C +ATOM 8 CA SER A 8 231.463 255.587 230.662 1.00 0.00 C +ATOM 9 CA THR A 9 234.166 255.564 233.347 1.00 0.00 C +ATOM 10 CA VAL A 10 234.763 258.460 235.750 1.00 0.00 C +ATOM 11 CA SER A 11 236.562 261.467 237.246 1.00 0.00 C +ATOM 12 CA VAL A 12 239.786 263.370 237.953 1.00 0.00 C +ATOM 13 CA GLY A 13 242.799 261.835 236.196 1.00 0.00 C +ATOM 14 CA THR A 14 243.809 258.208 236.777 1.00 0.00 C +ATOM 15 CA ALA A 15 246.881 258.272 239.030 1.00 0.00 C +ATOM 16 CA LYS A 16 247.382 258.907 242.753 1.00 0.00 C +ATOM 17 CA THR A 17 247.562 255.837 245.002 1.00 0.00 C +ATOM 18 CA HIS A 18 246.990 255.982 248.767 1.00 0.00 C +ATOM 19 CA GLY A 19 250.421 255.484 250.347 1.00 0.00 C +ATOM 20 CA GLN A 20 253.106 252.924 249.482 1.00 0.00 C +ATOM 21 CA THR A 21 256.775 252.999 250.506 1.00 0.00 C +ATOM 22 CA SER A 22 257.319 254.368 254.020 1.00 0.00 C +ATOM 23 CA ALA A 23 254.337 255.438 256.135 1.00 0.00 C +ATOM 24 CA ALA A 24 251.603 257.125 258.184 1.00 0.00 C +ATOM 25 CA THR A 25 247.900 257.146 259.082 1.00 0.00 C +ATOM 26 CA ARG A 26 246.926 253.477 259.410 1.00 0.00 C +ATOM 27 CA PRO A 27 245.091 252.307 262.537 1.00 0.00 C +ATOM 28 CA GLY A 28 243.925 252.915 266.113 1.00 0.00 C +ATOM 29 CA HIS A 29 242.165 251.646 269.245 1.00 0.00 C +ATOM 30 CA CYS A 30 244.883 250.444 271.629 1.00 0.00 C +ATOM 31 CA GLY A 31 247.993 249.663 269.571 1.00 0.00 C +ATOM 32 CA LEU A 32 251.730 249.979 270.244 1.00 0.00 C +ATOM 33 CA ALA A 33 254.438 247.978 268.461 1.00 0.00 C +ATOM 34 CA GLU A 34 254.000 244.201 268.220 1.00 0.00 C +ATOM 35 CA THR A 35 253.507 240.423 268.213 1.00 0.00 C +ATOM 36 CA GLN A 36 253.631 236.930 266.697 1.00 0.00 C +ATOM 37 CA GLN A 37 255.985 234.086 265.755 1.00 0.00 C +ATOM 38 CA CYS A 38 258.167 235.373 262.909 1.00 0.00 C +ATOM 39 CA GLY A 39 261.770 235.398 261.672 1.00 0.00 C +ATOM 40 CA PRO A 40 264.160 237.493 263.775 1.00 0.00 C +ATOM 41 CA VAL A 41 267.600 237.807 262.168 1.00 0.00 C +ATOM 42 CA ASN A 42 267.486 240.152 259.167 1.00 0.00 C +ATOM 43 CA PRO A 43 268.768 239.285 255.685 1.00 0.00 C +ATOM 44 CA LEU A 44 270.157 237.216 252.804 1.00 0.00 C +ATOM 45 CA LEU A 45 267.759 235.945 250.129 1.00 0.00 C +ATOM 46 CA GLY A 46 266.040 233.507 247.759 1.00 0.00 C +ATOM 47 CA ALA A 47 268.287 230.940 246.062 1.00 0.00 C +ATOM 48 CA ALA A 48 271.601 229.172 245.427 1.00 0.00 C +ATOM 49 CA THR A 49 273.855 226.100 245.438 1.00 0.00 C +TER 50 THR A 49 +END diff --git a/Viruses/Q5G5L6/Q5G5L6.dcd b/Viruses/Q5G5L6/Q5G5L6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c8ab16fa3e6ced72da5be32ecd859675e6e735f0 --- /dev/null +++ b/Viruses/Q5G5L6/Q5G5L6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:98c3229b8d97a37f7aa45a852897548672a41679ae632f1abcb2be753b7b2029 +size 6560276 diff --git a/Viruses/Q5G5L6/top.pdb b/Viruses/Q5G5L6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d1843d7c2850479aa516b7ff5f8e4d19d468028f --- /dev/null +++ b/Viruses/Q5G5L6/top.pdb @@ -0,0 +1,52 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ARG A 1 288.523 233.303 240.741 1.00 0.00 C +ATOM 2 CA PRO A 2 285.930 234.658 238.300 1.00 0.00 C +ATOM 3 CA GLU A 3 283.966 231.636 237.064 1.00 0.00 C +ATOM 4 CA PRO A 4 281.051 230.943 239.418 1.00 0.00 C +ATOM 5 CA THR A 5 278.030 232.394 237.606 1.00 0.00 C +ATOM 6 CA ALA A 6 275.037 234.752 237.634 1.00 0.00 C +ATOM 7 CA PRO A 7 272.187 235.882 235.372 1.00 0.00 C +ATOM 8 CA PRO A 8 271.440 239.472 234.336 1.00 0.00 C +ATOM 9 CA ALA A 9 271.376 243.265 233.979 1.00 0.00 C +ATOM 10 CA GLU A 10 269.284 245.847 235.842 1.00 0.00 C +ATOM 11 CA ASN A 11 265.843 245.895 237.478 1.00 0.00 C +ATOM 12 CA TRP A 12 262.570 244.206 238.452 1.00 0.00 C +ATOM 13 CA GLY A 13 258.952 245.208 239.105 1.00 0.00 C +ATOM 14 CA MET A 14 256.966 245.596 235.877 1.00 0.00 C +ATOM 15 CA ARG A 15 253.853 243.596 234.970 1.00 0.00 C +ATOM 16 CA ASP A 16 251.053 241.059 234.480 1.00 0.00 C +ATOM 17 CA GLU A 17 249.539 239.553 237.635 1.00 0.00 C +ATOM 18 CA THR A 18 248.660 236.115 239.022 1.00 0.00 C +ATOM 19 CA THR A 19 246.012 236.360 241.750 1.00 0.00 C +ATOM 20 CA SER A 20 242.570 234.750 241.473 1.00 0.00 C +ATOM 21 CA SER A 21 239.220 235.486 243.130 1.00 0.00 C +ATOM 22 CA LEU A 22 238.122 237.688 246.039 1.00 0.00 C +ATOM 23 CA LYS A 23 239.780 240.752 247.583 1.00 0.00 C +ATOM 24 CA GLN A 24 241.132 242.858 244.711 1.00 0.00 C +ATOM 25 CA GLU A 25 240.365 246.507 243.927 1.00 0.00 C +ATOM 26 CA GLN A 26 242.068 249.484 242.268 1.00 0.00 C +ATOM 27 CA LYS A 27 244.576 251.840 240.631 1.00 0.00 C +ATOM 28 CA ASP A 28 246.000 255.148 241.873 1.00 0.00 C +ATOM 29 CA LYS A 29 244.393 257.082 244.735 1.00 0.00 C +ATOM 30 CA GLU A 30 242.926 258.444 247.977 1.00 0.00 C +ATOM 31 CA GLN A 31 240.746 259.009 251.051 1.00 0.00 C +ATOM 32 CA SER A 32 238.629 260.335 253.927 1.00 0.00 C +ATOM 33 CA PRO A 33 238.275 259.870 257.692 1.00 0.00 C +ATOM 34 CA LEU A 34 236.855 262.861 259.578 1.00 0.00 C +ATOM 35 CA VAL A 35 233.892 261.619 261.626 1.00 0.00 C +ATOM 36 CA SER A 36 233.530 263.586 264.868 1.00 0.00 C +ATOM 37 CA LEU A 37 233.087 267.236 265.868 1.00 0.00 C +ATOM 38 CA LYS A 38 235.322 269.384 268.083 1.00 0.00 C +ATOM 39 CA SER A 39 238.734 268.067 269.153 1.00 0.00 C +ATOM 40 CA LEU A 40 242.435 268.342 268.295 1.00 0.00 C +ATOM 41 CA PHE A 41 243.568 264.859 267.246 1.00 0.00 C +ATOM 42 CA GLY A 42 240.836 262.235 267.658 1.00 0.00 C +ATOM 43 CA ASN A 43 237.552 261.066 269.194 1.00 0.00 C +ATOM 44 CA ASP A 44 236.936 259.639 272.672 1.00 0.00 C +ATOM 45 CA PRO A 45 237.618 261.709 275.797 1.00 0.00 C +ATOM 46 CA LEU A 46 236.018 265.142 276.214 1.00 0.00 C +ATOM 47 CA SER A 47 234.028 266.902 278.945 1.00 0.00 C +ATOM 48 CA GLN A 48 230.515 268.360 278.722 1.00 0.00 C +TER 49 GLN A 48 +END diff --git a/Viruses/Q5G5M1/Q5G5M1.dcd b/Viruses/Q5G5M1/Q5G5M1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..2799a8f90b4ad3c93bd9f5cec5d2c2f565c6d79a --- /dev/null +++ b/Viruses/Q5G5M1/Q5G5M1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:409dd3546a329d2bb85023d78bc1615e19952f257271de31ad1b934b4d5d66a1 +size 6560276 diff --git a/Viruses/Q5G5M1/top.pdb b/Viruses/Q5G5M1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..efd604b359827096a3757efa224fcd5091770b18 --- /dev/null +++ b/Viruses/Q5G5M1/top.pdb @@ -0,0 +1,52 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ARG A 1 210.340 265.528 243.020 1.00 0.00 C +ATOM 2 CA PRO A 2 213.435 267.547 243.947 1.00 0.00 C +ATOM 3 CA GLU A 3 217.238 267.781 244.013 1.00 0.00 C +ATOM 4 CA PRO A 4 219.918 265.895 245.956 1.00 0.00 C +ATOM 5 CA THR A 5 222.137 263.717 248.158 1.00 0.00 C +ATOM 6 CA ALA A 6 225.715 264.595 249.129 1.00 0.00 C +ATOM 7 CA PRO A 7 226.936 267.565 251.179 1.00 0.00 C +ATOM 8 CA PRO A 8 229.328 269.651 253.287 1.00 0.00 C +ATOM 9 CA ALA A 9 232.615 269.314 255.184 1.00 0.00 C +ATOM 10 CA GLU A 10 233.946 272.877 255.402 1.00 0.00 C +ATOM 11 CA ASN A 11 236.494 275.014 253.542 1.00 0.00 C +ATOM 12 CA TRP A 12 239.495 273.634 251.644 1.00 0.00 C +ATOM 13 CA GLY A 13 243.159 272.593 251.557 1.00 0.00 C +ATOM 14 CA MET A 14 246.038 270.469 250.245 1.00 0.00 C +ATOM 15 CA GLY A 15 248.182 269.768 247.175 1.00 0.00 C +ATOM 16 CA GLU A 16 251.941 269.152 247.106 1.00 0.00 C +ATOM 17 CA GLU A 17 254.605 269.478 249.810 1.00 0.00 C +ATOM 18 CA MET A 18 257.120 267.784 252.117 1.00 0.00 C +ATOM 19 CA ASN A 19 259.205 265.368 250.035 1.00 0.00 C +ATOM 20 CA SER A 20 260.194 261.919 248.753 1.00 0.00 C +ATOM 21 CA LEU A 21 259.759 259.352 251.535 1.00 0.00 C +ATOM 22 CA LEU A 22 257.256 256.904 253.037 1.00 0.00 C +ATOM 23 CA LYS A 23 256.183 253.927 255.159 1.00 0.00 C +ATOM 24 CA GLN A 24 257.822 250.489 255.061 1.00 0.00 C +ATOM 25 CA GLU A 25 258.096 248.238 251.999 1.00 0.00 C +ATOM 26 CA GLN A 26 258.069 245.576 249.273 1.00 0.00 C +ATOM 27 CA LYS A 27 256.416 242.411 247.945 1.00 0.00 C +ATOM 28 CA ASP A 28 257.426 238.751 247.629 1.00 0.00 C +ATOM 29 CA LYS A 29 260.393 236.547 246.706 1.00 0.00 C +ATOM 30 CA GLU A 30 262.026 235.630 243.388 1.00 0.00 C +ATOM 31 CA LEU A 31 261.596 232.046 242.168 1.00 0.00 C +ATOM 32 CA SER A 32 264.644 229.776 241.910 1.00 0.00 C +ATOM 33 CA PRO A 33 267.610 228.617 244.002 1.00 0.00 C +ATOM 34 CA SER A 34 271.074 229.875 243.034 1.00 0.00 C +ATOM 35 CA ILE A 35 272.675 231.260 246.201 1.00 0.00 C +ATOM 36 CA SER A 36 270.539 233.626 248.288 1.00 0.00 C +ATOM 37 CA LEU A 37 267.147 233.829 250.010 1.00 0.00 C +ATOM 38 CA LYS A 38 264.476 231.114 249.884 1.00 0.00 C +ATOM 39 CA SER A 39 262.834 227.999 251.338 1.00 0.00 C +ATOM 40 CA LEU A 40 263.751 227.839 255.032 1.00 0.00 C +ATOM 41 CA PHE A 41 261.236 230.080 256.813 1.00 0.00 C +ATOM 42 CA GLY A 42 260.034 233.055 254.759 1.00 0.00 C +ATOM 43 CA ASN A 43 257.998 235.659 252.864 1.00 0.00 C +ATOM 44 CA ASP A 44 254.287 235.236 253.612 1.00 0.00 C +ATOM 45 CA PRO A 45 251.069 233.197 253.584 1.00 0.00 C +ATOM 46 CA LEU A 46 248.429 231.281 255.554 1.00 0.00 C +ATOM 47 CA SER A 47 246.281 228.343 254.430 1.00 0.00 C +ATOM 48 CA GLN A 48 242.834 229.691 253.525 1.00 0.00 C +TER 49 GLN A 48 +END diff --git a/Viruses/Q5G5N5/Q5G5N5.dcd b/Viruses/Q5G5N5/Q5G5N5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e869bcc8420d0008c4da442aa3b6af1b3b565989 --- /dev/null +++ b/Viruses/Q5G5N5/Q5G5N5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bfb089bead7e3d606d80c69bf12f8db32f82c0af5debda5a88dc503e7f85f882 +size 6440276 diff --git a/Viruses/Q5G5N5/top.pdb b/Viruses/Q5G5N5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ba6319e6d7d07c6f9b6ad497a2422223fff0fc59 --- /dev/null +++ b/Viruses/Q5G5N5/top.pdb @@ -0,0 +1,51 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA PRO A 1 262.126 241.788 244.654 1.00 0.00 C +ATOM 2 CA GLU A 2 259.594 244.415 243.557 1.00 0.00 C +ATOM 3 CA PRO A 3 255.907 243.568 243.103 1.00 0.00 C +ATOM 4 CA THR A 4 253.258 243.290 240.379 1.00 0.00 C +ATOM 5 CA ALA A 5 253.216 242.032 236.782 1.00 0.00 C +ATOM 6 CA PRO A 6 253.922 240.582 233.331 1.00 0.00 C +ATOM 7 CA PRO A 7 257.147 240.840 231.318 1.00 0.00 C +ATOM 8 CA ALA A 8 260.650 239.403 231.741 1.00 0.00 C +ATOM 9 CA GLU A 9 262.894 241.604 233.894 1.00 0.00 C +ATOM 10 CA ASP A 10 265.643 243.369 235.854 1.00 0.00 C +ATOM 11 CA TRP A 11 265.807 245.769 238.809 1.00 0.00 C +ATOM 12 CA GLY A 12 265.318 247.491 242.172 1.00 0.00 C +ATOM 13 CA MET A 13 263.788 250.010 244.586 1.00 0.00 C +ATOM 14 CA GLY A 14 261.046 252.574 245.241 1.00 0.00 C +ATOM 15 CA GLU A 15 259.348 255.958 244.820 1.00 0.00 C +ATOM 16 CA GLU A 16 258.321 256.878 241.269 1.00 0.00 C +ATOM 17 CA MET A 17 255.626 258.662 239.251 1.00 0.00 C +ATOM 18 CA THR A 18 251.887 259.305 239.606 1.00 0.00 C +ATOM 19 CA SER A 19 249.549 259.105 242.608 1.00 0.00 C +ATOM 20 CA SER A 20 250.042 260.138 246.242 1.00 0.00 C +ATOM 21 CA LEU A 21 249.565 259.216 249.907 1.00 0.00 C +ATOM 22 CA LYS A 22 247.055 259.997 252.666 1.00 0.00 C +ATOM 23 CA GLN A 23 243.940 257.866 253.187 1.00 0.00 C +ATOM 24 CA GLU A 24 244.676 254.430 254.660 1.00 0.00 C +ATOM 25 CA GLN A 25 242.310 251.770 256.017 1.00 0.00 C +ATOM 26 CA LYS A 26 239.034 250.534 254.515 1.00 0.00 C +ATOM 27 CA ASP A 27 239.453 247.941 251.755 1.00 0.00 C +ATOM 28 CA LYS A 28 237.692 245.447 249.475 1.00 0.00 C +ATOM 29 CA GLY A 29 238.531 245.440 245.759 1.00 0.00 C +ATOM 30 CA HIS A 30 242.206 246.086 244.991 1.00 0.00 C +ATOM 31 CA LEU A 31 244.590 248.624 246.538 1.00 0.00 C +ATOM 32 CA PRO A 32 247.303 247.895 249.111 1.00 0.00 C +ATOM 33 CA SER A 33 247.755 244.403 250.566 1.00 0.00 C +ATOM 34 CA VAL A 34 250.860 242.562 251.787 1.00 0.00 C +ATOM 35 CA SER A 35 253.604 245.172 252.207 1.00 0.00 C +ATOM 36 CA LEU A 36 253.326 247.045 255.513 1.00 0.00 C +ATOM 37 CA LYS A 37 249.585 247.571 256.010 1.00 0.00 C +ATOM 38 CA SER A 38 246.891 246.833 258.601 1.00 0.00 C +ATOM 39 CA LEU A 39 244.372 246.349 261.418 1.00 0.00 C +ATOM 40 CA PHE A 40 242.492 249.488 262.480 1.00 0.00 C +ATOM 41 CA GLY A 41 241.431 249.123 266.121 1.00 0.00 C +ATOM 42 CA ASN A 42 239.975 249.759 269.584 1.00 0.00 C +ATOM 43 CA ASP A 43 238.885 253.383 270.027 1.00 0.00 C +ATOM 44 CA PRO A 44 239.846 256.719 271.595 1.00 0.00 C +ATOM 45 CA LEU A 45 241.139 260.284 271.230 1.00 0.00 C +ATOM 46 CA SER A 46 238.532 262.886 272.204 1.00 0.00 C +ATOM 47 CA GLN A 47 239.863 266.394 272.861 1.00 0.00 C +TER 48 GLN A 47 +END diff --git a/Viruses/Q5G5P3/Q5G5P3.dcd b/Viruses/Q5G5P3/Q5G5P3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..520595e355ae17c8ec6261484bdaafc47f79fc68 --- /dev/null +++ b/Viruses/Q5G5P3/Q5G5P3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b8338f8cdaf6322edc964aa2b604f599e68b296a0afe91294ffcf37ac5a73ff9 +size 6560276 diff --git a/Viruses/Q5G5P3/top.pdb b/Viruses/Q5G5P3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..16421fbfb9df7bf83c0ce416a526cf699415de13 --- /dev/null +++ b/Viruses/Q5G5P3/top.pdb @@ -0,0 +1,52 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ARG A 1 261.536 274.645 252.665 1.00 0.00 C +ATOM 2 CA PRO A 2 262.181 274.406 248.918 1.00 0.00 C +ATOM 3 CA GLU A 3 259.483 273.753 246.308 1.00 0.00 C +ATOM 4 CA PRO A 4 257.046 271.312 247.927 1.00 0.00 C +ATOM 5 CA THR A 5 258.377 268.327 249.885 1.00 0.00 C +ATOM 6 CA ALA A 6 261.773 266.899 248.913 1.00 0.00 C +ATOM 7 CA PRO A 7 262.525 263.866 246.733 1.00 0.00 C +ATOM 8 CA PRO A 8 265.814 262.214 245.750 1.00 0.00 C +ATOM 9 CA ALA A 9 267.113 260.072 248.621 1.00 0.00 C +ATOM 10 CA GLU A 10 268.906 256.743 249.090 1.00 0.00 C +ATOM 11 CA LYS A 11 267.532 253.737 250.986 1.00 0.00 C +ATOM 12 CA LEU A 12 266.501 250.112 250.429 1.00 0.00 C +ATOM 13 CA GLY A 13 265.318 246.584 249.609 1.00 0.00 C +ATOM 14 CA ASP A 14 263.333 246.608 246.357 1.00 0.00 C +ATOM 15 CA GLY A 15 265.558 246.322 243.277 1.00 0.00 C +ATOM 16 CA GLU A 16 266.248 242.632 242.629 1.00 0.00 C +ATOM 17 CA GLU A 17 267.791 239.489 241.125 1.00 0.00 C +ATOM 18 CA MET A 18 267.420 236.781 238.471 1.00 0.00 C +ATOM 19 CA THR A 19 264.094 234.937 238.699 1.00 0.00 C +ATOM 20 CA SER A 20 261.298 237.507 239.000 1.00 0.00 C +ATOM 21 CA LEU A 21 258.865 239.656 237.006 1.00 0.00 C +ATOM 22 CA LEU A 22 257.985 243.275 236.200 1.00 0.00 C +ATOM 23 CA LYS A 23 254.552 244.229 237.549 1.00 0.00 C +ATOM 24 CA GLN A 24 250.768 244.132 237.991 1.00 0.00 C +ATOM 25 CA GLU A 25 248.039 243.791 240.627 1.00 0.00 C +ATOM 26 CA GLN A 26 245.034 242.222 238.886 1.00 0.00 C +ATOM 27 CA LYS A 27 241.701 244.055 238.677 1.00 0.00 C +ATOM 28 CA ASP A 28 238.896 246.611 238.339 1.00 0.00 C +ATOM 29 CA ARG A 29 235.829 245.842 240.465 1.00 0.00 C +ATOM 30 CA GLU A 30 234.660 245.322 244.054 1.00 0.00 C +ATOM 31 CA LEU A 31 236.734 243.304 246.532 1.00 0.00 C +ATOM 32 CA SER A 32 238.907 245.721 248.520 1.00 0.00 C +ATOM 33 CA PRO A 33 237.421 247.792 251.352 1.00 0.00 C +ATOM 34 CA SER A 34 236.226 251.079 249.841 1.00 0.00 C +ATOM 35 CA ILE A 35 237.046 254.318 251.671 1.00 0.00 C +ATOM 36 CA SER A 36 235.008 255.442 254.688 1.00 0.00 C +ATOM 37 CA LEU A 37 233.722 252.722 257.025 1.00 0.00 C +ATOM 38 CA LYS A 38 234.661 252.105 260.665 1.00 0.00 C +ATOM 39 CA SER A 39 236.420 253.670 263.661 1.00 0.00 C +ATOM 40 CA LEU A 40 238.690 251.136 265.376 1.00 0.00 C +ATOM 41 CA PHE A 41 238.564 247.409 266.155 1.00 0.00 C +ATOM 42 CA GLY A 42 239.487 246.486 269.735 1.00 0.00 C +ATOM 43 CA ASN A 43 238.295 244.163 272.509 1.00 0.00 C +ATOM 44 CA ASP A 44 236.969 240.960 270.927 1.00 0.00 C +ATOM 45 CA PRO A 45 235.977 239.616 267.503 1.00 0.00 C +ATOM 46 CA LEU A 46 235.798 240.094 263.727 1.00 0.00 C +ATOM 47 CA SER A 47 233.513 242.863 262.452 1.00 0.00 C +ATOM 48 CA GLN A 48 230.384 245.036 262.474 1.00 0.00 C +TER 49 GLN A 48 +END diff --git a/Viruses/Q5G5R6/Q5G5R6.dcd b/Viruses/Q5G5R6/Q5G5R6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8e68d521fc535804efc93a6e6c1fb3c49ab35d52 --- /dev/null +++ b/Viruses/Q5G5R6/Q5G5R6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:be018dc55d7b42436a5bf85fff169935c80664a28bf93f366b94eff2e9a4ae87 +size 6440276 diff --git a/Viruses/Q5G5R6/top.pdb b/Viruses/Q5G5R6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..680a787d4386525ac9e1b476e5a60982a6c745cd --- /dev/null +++ b/Viruses/Q5G5R6/top.pdb @@ -0,0 +1,51 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA PRO A 1 258.710 261.570 281.457 1.00 0.00 C +ATOM 2 CA GLU A 2 257.663 265.159 280.724 1.00 0.00 C +ATOM 3 CA PRO A 3 258.317 268.884 280.264 1.00 0.00 C +ATOM 4 CA THR A 4 258.798 272.517 279.223 1.00 0.00 C +ATOM 5 CA ALA A 5 259.240 273.678 275.621 1.00 0.00 C +ATOM 6 CA PRO A 6 257.274 273.493 272.363 1.00 0.00 C +ATOM 7 CA PRO A 7 256.851 274.658 268.760 1.00 0.00 C +ATOM 8 CA ALA A 8 260.224 274.877 267.002 1.00 0.00 C +ATOM 9 CA GLU A 9 261.016 273.708 263.464 1.00 0.00 C +ATOM 10 CA GLY A 10 264.688 274.126 262.536 1.00 0.00 C +ATOM 11 CA LEU A 11 265.533 273.486 258.876 1.00 0.00 C +ATOM 12 CA GLY A 12 267.749 272.838 255.846 1.00 0.00 C +ATOM 13 CA ASN A 13 268.351 271.195 252.461 1.00 0.00 C +ATOM 14 CA GLY A 14 268.272 272.322 248.822 1.00 0.00 C +ATOM 15 CA GLU A 15 265.128 271.391 246.882 1.00 0.00 C +ATOM 16 CA GLU A 16 262.829 274.387 246.375 1.00 0.00 C +ATOM 17 CA ILE A 17 259.458 273.120 245.130 1.00 0.00 C +ATOM 18 CA THR A 18 258.499 269.715 246.546 1.00 0.00 C +ATOM 19 CA PRO A 19 255.221 269.640 248.485 1.00 0.00 C +ATOM 20 CA TYR A 20 252.647 267.656 250.475 1.00 0.00 C +ATOM 21 CA GLN A 21 250.273 265.382 248.550 1.00 0.00 C +ATOM 22 CA LYS A 22 249.331 262.237 246.616 1.00 0.00 C +ATOM 23 CA GLN A 23 250.440 259.056 244.838 1.00 0.00 C +ATOM 24 CA GLU A 24 248.270 257.643 242.044 1.00 0.00 C +ATOM 25 CA GLN A 25 247.009 254.250 243.232 1.00 0.00 C +ATOM 26 CA LYS A 26 248.844 252.621 246.146 1.00 0.00 C +ATOM 27 CA ASP A 27 246.691 251.095 248.895 1.00 0.00 C +ATOM 28 CA LYS A 28 243.341 249.285 248.750 1.00 0.00 C +ATOM 29 CA ASP A 29 243.652 246.382 246.302 1.00 0.00 C +ATOM 30 CA ILE A 30 245.832 243.258 246.380 1.00 0.00 C +ATOM 31 CA SER A 31 245.793 241.171 243.193 1.00 0.00 C +ATOM 32 CA PRO A 32 245.187 237.416 243.416 1.00 0.00 C +ATOM 33 CA SER A 33 244.369 236.376 246.989 1.00 0.00 C +ATOM 34 CA VAL A 34 244.171 232.760 248.175 1.00 0.00 C +ATOM 35 CA SER A 35 245.861 229.438 247.386 1.00 0.00 C +ATOM 36 CA LEU A 36 245.417 226.780 244.693 1.00 0.00 C +ATOM 37 CA LYS A 37 242.196 224.866 244.003 1.00 0.00 C +ATOM 38 CA SER A 38 239.134 222.598 243.971 1.00 0.00 C +ATOM 39 CA LEU A 39 238.665 220.969 240.559 1.00 0.00 C +ATOM 40 CA PHE A 40 236.753 222.154 237.484 1.00 0.00 C +ATOM 41 CA GLY A 41 235.163 219.082 235.889 1.00 0.00 C +ATOM 42 CA ASN A 42 236.552 215.960 234.203 1.00 0.00 C +ATOM 43 CA ASP A 43 237.387 212.433 233.027 1.00 0.00 C +ATOM 44 CA PRO A 44 235.440 211.594 229.862 1.00 0.00 C +ATOM 45 CA LEU A 45 231.763 210.633 230.130 1.00 0.00 C +ATOM 46 CA SER A 46 228.837 209.444 227.999 1.00 0.00 C +ATOM 47 CA GLN A 47 227.162 206.699 225.955 1.00 0.00 C +TER 48 GLN A 47 +END diff --git a/Viruses/Q5G5T2/Q5G5T2.dcd b/Viruses/Q5G5T2/Q5G5T2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d473ffa2da1c07e0f2c8283e537168fbc5d8eeee --- /dev/null +++ b/Viruses/Q5G5T2/Q5G5T2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b91ff3c4f753e43f6ca2aa5552ecdb53b0302f2f2b76fcf59adde78b9370587f +size 6440276 diff --git a/Viruses/Q5G5T2/top.pdb b/Viruses/Q5G5T2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..de1ab7cfadf564f66ef01b0d23b39677da9c4c42 --- /dev/null +++ b/Viruses/Q5G5T2/top.pdb @@ -0,0 +1,51 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA SER A 1 244.036 262.545 252.400 1.00 0.00 C +ATOM 2 CA ARG A 2 241.017 264.097 250.670 1.00 0.00 C +ATOM 3 CA PRO A 3 238.750 267.086 251.335 1.00 0.00 C +ATOM 4 CA GLU A 4 237.171 269.370 248.726 1.00 0.00 C +ATOM 5 CA PRO A 5 233.691 267.947 248.110 1.00 0.00 C +ATOM 6 CA THR A 6 232.608 266.424 244.790 1.00 0.00 C +ATOM 7 CA ALA A 7 232.293 263.278 242.664 1.00 0.00 C +ATOM 8 CA PRO A 8 232.595 259.993 244.571 1.00 0.00 C +ATOM 9 CA PRO A 9 232.166 256.281 245.315 1.00 0.00 C +ATOM 10 CA ALA A 10 232.394 252.480 245.211 1.00 0.00 C +ATOM 11 CA GLU A 11 230.918 249.291 246.684 1.00 0.00 C +ATOM 12 CA ARG A 12 232.483 246.192 245.114 1.00 0.00 C +ATOM 13 CA LEU A 13 236.136 246.231 244.033 1.00 0.00 C +ATOM 14 CA GLY A 14 239.884 245.990 243.393 1.00 0.00 C +ATOM 15 CA ASP A 15 243.619 245.473 242.844 1.00 0.00 C +ATOM 16 CA GLY A 16 244.430 241.817 243.547 1.00 0.00 C +ATOM 17 CA GLY A 17 246.116 238.444 244.088 1.00 0.00 C +ATOM 18 CA GLY A 18 244.888 235.004 245.171 1.00 0.00 C +ATOM 19 CA LYS A 19 246.266 231.905 246.906 1.00 0.00 C +ATOM 20 CA ILE A 20 247.435 231.487 250.509 1.00 0.00 C +ATOM 21 CA PHE A 21 247.962 232.001 254.247 1.00 0.00 C +ATOM 22 CA GLU A 22 248.000 235.752 254.911 1.00 0.00 C +ATOM 23 CA GLN A 23 247.594 239.519 254.510 1.00 0.00 C +ATOM 24 CA GLU A 24 249.833 241.211 251.932 1.00 0.00 C +ATOM 25 CA GLN A 25 250.148 239.748 248.428 1.00 0.00 C +ATOM 26 CA LYS A 26 252.767 238.261 246.093 1.00 0.00 C +ATOM 27 CA ASP A 27 255.228 240.718 244.538 1.00 0.00 C +ATOM 28 CA LYS A 28 257.045 242.715 247.226 1.00 0.00 C +ATOM 29 CA ASP A 29 259.387 245.656 246.609 1.00 0.00 C +ATOM 30 CA THR A 30 262.186 247.955 245.424 1.00 0.00 C +ATOM 31 CA SER A 31 265.893 248.172 244.574 1.00 0.00 C +ATOM 32 CA PRO A 32 268.484 247.151 247.174 1.00 0.00 C +ATOM 33 CA SER A 33 271.761 248.787 246.126 1.00 0.00 C +ATOM 34 CA ILE A 34 272.508 252.494 246.595 1.00 0.00 C +ATOM 35 CA SER A 35 270.742 255.815 245.991 1.00 0.00 C +ATOM 36 CA LEU A 36 267.753 256.131 248.332 1.00 0.00 C +ATOM 37 CA LYS A 37 264.448 256.561 250.178 1.00 0.00 C +ATOM 38 CA SER A 38 262.524 259.032 252.348 1.00 0.00 C +ATOM 39 CA LEU A 39 261.785 257.437 255.728 1.00 0.00 C +ATOM 40 CA PHE A 40 260.970 253.828 256.639 1.00 0.00 C +ATOM 41 CA GLY A 41 258.704 253.454 259.679 1.00 0.00 C +ATOM 42 CA ASN A 42 259.741 250.534 261.897 1.00 0.00 C +ATOM 43 CA ASP A 43 257.302 249.847 264.742 1.00 0.00 C +ATOM 44 CA PRO A 44 255.272 252.952 265.609 1.00 0.00 C +ATOM 45 CA LEU A 45 251.525 253.203 264.966 1.00 0.00 C +ATOM 46 CA SER A 46 250.806 253.769 261.268 1.00 0.00 C +ATOM 47 CA GLN A 47 250.735 255.964 258.155 1.00 0.00 C +TER 48 GLN A 47 +END diff --git a/Viruses/Q5GQU4/Q5GQU4.dcd b/Viruses/Q5GQU4/Q5GQU4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..ac8cf01643af9ba47747945baebfbceb0089f406 --- /dev/null +++ b/Viruses/Q5GQU4/Q5GQU4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fc7674586ba93da4e055421555b59450076f2d568f676d2f0f2deeb403dc2510 +size 6440276 diff --git a/Viruses/Q5GQU4/top.pdb b/Viruses/Q5GQU4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a76fed5d8a6cd3b23fd979907002974008b76673 --- /dev/null +++ b/Viruses/Q5GQU4/top.pdb @@ -0,0 +1,51 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 231.331 262.191 223.660 1.00 0.00 C +ATOM 2 CA ALA A 2 232.935 261.407 220.294 1.00 0.00 C +ATOM 3 CA LYS A 3 236.728 261.529 219.964 1.00 0.00 C +ATOM 4 CA ARG A 4 240.336 260.849 220.983 1.00 0.00 C +ATOM 5 CA PRO A 5 243.430 258.741 221.689 1.00 0.00 C +ATOM 6 CA SER A 6 244.792 259.893 225.056 1.00 0.00 C +ATOM 7 CA PHE A 7 246.502 257.564 227.539 1.00 0.00 C +ATOM 8 CA THR A 8 249.262 254.971 227.960 1.00 0.00 C +ATOM 9 CA GLY A 9 251.395 255.010 224.804 1.00 0.00 C +ATOM 10 CA GLY A 10 254.349 252.604 224.757 1.00 0.00 C +ATOM 11 CA VAL A 11 258.066 252.489 225.585 1.00 0.00 C +ATOM 12 CA GLN A 12 261.159 250.404 226.361 1.00 0.00 C +ATOM 13 CA ILE A 13 264.861 250.734 227.200 1.00 0.00 C +ATOM 14 CA GLU A 14 267.290 248.677 229.295 1.00 0.00 C +ATOM 15 CA SER A 15 265.273 247.548 232.324 1.00 0.00 C +ATOM 16 CA LYS A 16 263.815 248.260 235.771 1.00 0.00 C +ATOM 17 CA PRO A 17 260.561 246.342 236.268 1.00 0.00 C +ATOM 18 CA LYS A 18 256.808 245.785 235.924 1.00 0.00 C +ATOM 19 CA ALA A 19 256.102 242.332 237.371 1.00 0.00 C +ATOM 20 CA THR A 20 257.507 241.540 240.823 1.00 0.00 C +ATOM 21 CA ARG A 21 256.331 240.139 244.165 1.00 0.00 C +ATOM 22 CA GLN A 22 252.868 238.766 244.963 1.00 0.00 C +ATOM 23 CA GLY A 23 252.071 238.916 248.686 1.00 0.00 C +ATOM 24 CA GLN A 24 249.723 239.149 251.676 1.00 0.00 C +ATOM 25 CA GLY A 25 251.218 237.491 254.763 1.00 0.00 C +ATOM 26 CA LYS A 26 251.395 237.347 258.566 1.00 0.00 C +ATOM 27 CA ASN A 27 249.594 240.461 259.822 1.00 0.00 C +ATOM 28 CA THR A 28 251.955 243.426 260.202 1.00 0.00 C +ATOM 29 CA LYS A 29 252.478 245.213 263.526 1.00 0.00 C +ATOM 30 CA TYR A 30 255.944 244.396 264.882 1.00 0.00 C +ATOM 31 CA ALA A 31 257.946 247.638 264.902 1.00 0.00 C +ATOM 32 CA ALA A 32 257.032 250.693 266.987 1.00 0.00 C +ATOM 33 CA THR A 33 257.906 250.782 270.694 1.00 0.00 C +ATOM 34 CA SER A 34 260.825 250.988 273.135 1.00 0.00 C +ATOM 35 CA ARG A 35 260.065 253.767 275.628 1.00 0.00 C +ATOM 36 CA ASN A 36 256.328 254.502 275.530 1.00 0.00 C +ATOM 37 CA ASN A 37 253.009 256.321 275.098 1.00 0.00 C +ATOM 38 CA ALA A 38 249.395 255.800 274.010 1.00 0.00 C +ATOM 39 CA ARG A 39 247.678 255.523 270.620 1.00 0.00 C +ATOM 40 CA LYS A 40 244.153 254.079 270.542 1.00 0.00 C +ATOM 41 CA PRO A 41 241.234 255.532 272.513 1.00 0.00 C +ATOM 42 CA TYR A 42 237.814 256.008 270.903 1.00 0.00 C +ATOM 43 CA ARG A 43 235.474 253.050 271.443 1.00 0.00 C +ATOM 44 CA GLY A 44 233.075 250.142 271.992 1.00 0.00 C +ATOM 45 CA GLN A 45 230.089 248.981 274.055 1.00 0.00 C +ATOM 46 CA GLY A 46 230.646 247.626 277.573 1.00 0.00 C +ATOM 47 CA LYS A 47 231.252 244.395 279.497 1.00 0.00 C +TER 48 LYS A 47 +END diff --git a/Viruses/Q5I4I5/Q5I4I5.dcd b/Viruses/Q5I4I5/Q5I4I5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..4d4e04cba162cbd377b1339b0bef7db2603e5c27 --- /dev/null +++ b/Viruses/Q5I4I5/Q5I4I5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5492d94da6c49a3f22f15a9acdab666e1c657ca713e911a2c586bc95a92a3bf3 +size 8480276 diff --git a/Viruses/Q5I4I5/top.pdb b/Viruses/Q5I4I5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..85277ddc2c6baf8fa67604b83b59296f88fb2249 --- /dev/null +++ b/Viruses/Q5I4I5/top.pdb @@ -0,0 +1,68 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLY A 1 256.012 255.761 288.950 1.00 0.00 C +ATOM 2 CA ASN A 2 256.153 258.549 286.356 1.00 0.00 C +ATOM 3 CA ASP A 3 255.674 262.178 285.301 1.00 0.00 C +ATOM 4 CA GLY A 4 254.997 265.452 287.130 1.00 0.00 C +ATOM 5 CA GLY A 5 252.485 267.640 285.280 1.00 0.00 C +ATOM 6 CA PRO A 6 252.146 268.366 281.555 1.00 0.00 C +ATOM 7 CA PRO A 7 251.303 270.688 278.655 1.00 0.00 C +ATOM 8 CA THR A 8 248.852 269.141 276.181 1.00 0.00 C +ATOM 9 CA LEU A 9 246.747 269.704 273.056 1.00 0.00 C +ATOM 10 CA THR A 10 243.416 271.441 272.419 1.00 0.00 C +ATOM 11 CA GLU A 11 240.450 269.540 273.868 1.00 0.00 C +ATOM 12 CA GLU A 12 238.355 268.638 270.816 1.00 0.00 C +ATOM 13 CA VAL A 13 238.690 265.146 269.330 1.00 0.00 C +ATOM 14 CA GLU A 14 236.893 262.110 270.769 1.00 0.00 C +ATOM 15 CA ASN A 15 238.676 259.032 272.134 1.00 0.00 C +ATOM 16 CA LYS A 16 239.629 255.595 270.795 1.00 0.00 C +ATOM 17 CA GLN A 17 243.176 255.982 269.460 1.00 0.00 C +ATOM 18 CA GLY A 18 243.477 255.271 265.729 1.00 0.00 C +ATOM 19 CA ASP A 19 245.032 255.720 262.280 1.00 0.00 C +ATOM 20 CA GLN A 20 245.777 258.913 260.339 1.00 0.00 C +ATOM 21 CA ASP A 21 243.592 259.718 257.323 1.00 0.00 C +ATOM 22 CA PRO A 22 241.774 260.538 254.077 1.00 0.00 C +ATOM 23 CA PRO A 23 239.570 257.698 252.815 1.00 0.00 C +ATOM 24 CA PRO A 24 238.298 254.109 252.929 1.00 0.00 C +ATOM 25 CA MET A 25 237.398 252.241 249.733 1.00 0.00 C +ATOM 26 CA LYS A 26 235.018 249.857 247.952 1.00 0.00 C +ATOM 27 CA ASP A 27 233.899 249.967 244.312 1.00 0.00 C +ATOM 28 CA GLY A 28 236.339 250.168 241.393 1.00 0.00 C +ATOM 29 CA GLY A 29 239.815 248.692 241.898 1.00 0.00 C +ATOM 30 CA GLY A 30 239.660 245.905 244.492 1.00 0.00 C +ATOM 31 CA GLY A 31 242.804 244.594 246.197 1.00 0.00 C +ATOM 32 CA HIS A 32 242.943 243.941 249.948 1.00 0.00 C +ATOM 33 CA SER A 33 244.017 247.173 251.656 1.00 0.00 C +ATOM 34 CA HIS A 34 247.420 248.422 252.830 1.00 0.00 C +ATOM 35 CA ASP A 35 251.013 248.925 251.670 1.00 0.00 C +ATOM 36 CA SER A 36 252.434 246.010 249.670 1.00 0.00 C +ATOM 37 CA GLY A 37 250.945 242.531 249.233 1.00 0.00 C +ATOM 38 CA ASN A 38 253.021 240.300 246.946 1.00 0.00 C +ATOM 39 CA GLY A 39 253.465 236.956 245.175 1.00 0.00 C +ATOM 40 CA GLY A 40 256.763 236.982 243.266 1.00 0.00 C +ATOM 41 CA GLY A 41 259.833 236.970 241.011 1.00 0.00 C +ATOM 42 CA ASP A 42 262.125 239.587 239.456 1.00 0.00 C +ATOM 43 CA PRO A 43 263.801 238.890 236.106 1.00 0.00 C +ATOM 44 CA PRO A 44 263.340 239.248 232.341 1.00 0.00 C +ATOM 45 CA LEU A 45 259.883 240.794 231.921 1.00 0.00 C +ATOM 46 CA PRO A 46 257.071 242.701 233.645 1.00 0.00 C +ATOM 47 CA THR A 47 253.321 243.302 233.332 1.00 0.00 C +ATOM 48 CA LEU A 48 251.746 242.219 236.628 1.00 0.00 C +ATOM 49 CA LEU A 49 248.947 241.130 238.973 1.00 0.00 C +ATOM 50 CA LEU A 50 245.697 239.808 237.488 1.00 0.00 C +ATOM 51 CA GLY A 51 246.315 237.887 234.256 1.00 0.00 C +ATOM 52 CA THR A 52 244.501 239.176 231.163 1.00 0.00 C +ATOM 53 CA SER A 53 246.599 242.014 229.727 1.00 0.00 C +ATOM 54 CA GLY A 54 248.546 242.196 226.457 1.00 0.00 C +ATOM 55 CA SER A 55 250.794 239.708 224.649 1.00 0.00 C +ATOM 56 CA GLY A 56 253.969 241.000 222.984 1.00 0.00 C +ATOM 57 CA GLY A 57 257.371 240.047 221.559 1.00 0.00 C +ATOM 58 CA ASP A 58 260.915 240.174 222.953 1.00 0.00 C +ATOM 59 CA ASP A 59 263.131 240.353 226.047 1.00 0.00 C +ATOM 60 CA ASP A 60 265.979 237.828 226.220 1.00 0.00 C +ATOM 61 CA ASP A 61 269.204 239.262 227.656 1.00 0.00 C +ATOM 62 CA PRO A 62 272.534 241.105 227.469 1.00 0.00 C +ATOM 63 CA ASN A 63 273.146 241.724 223.760 1.00 0.00 C +ATOM 64 CA GLY A 64 273.103 243.282 220.283 1.00 0.00 C +TER 65 GLY A 64 +END diff --git a/Viruses/Q5J596/Q5J596.dcd b/Viruses/Q5J596/Q5J596.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f9752ee0b55ba577eefc1ac531b87883954c2b73 --- /dev/null +++ b/Viruses/Q5J596/Q5J596.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4a166a634e53fb01a8b4b5f6c39dcbdcc275459b16b99ff36d60e70ea61f690f +size 5240276 diff --git a/Viruses/Q5J596/top.pdb b/Viruses/Q5J596/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c2dfa0510547048a884a0e620e5cab8e3a513fe8 --- /dev/null +++ b/Viruses/Q5J596/top.pdb @@ -0,0 +1,41 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LYS A 1 220.995 237.534 235.397 1.00 0.00 C +ATOM 2 CA GLU A 2 222.704 240.273 237.420 1.00 0.00 C +ATOM 3 CA THR A 3 221.985 243.805 238.655 1.00 0.00 C +ATOM 4 CA LEU A 4 225.222 245.811 238.536 1.00 0.00 C +ATOM 5 CA HIS A 5 227.768 243.856 236.484 1.00 0.00 C +ATOM 6 CA SER A 6 229.860 245.652 233.854 1.00 0.00 C +ATOM 7 CA THR A 7 233.127 247.592 234.124 1.00 0.00 C +ATOM 8 CA THR A 8 236.471 246.126 235.214 1.00 0.00 C +ATOM 9 CA SER A 9 238.280 243.077 236.607 1.00 0.00 C +ATOM 10 CA GLU A 10 239.061 239.765 238.323 1.00 0.00 C +ATOM 11 CA GLY A 11 240.570 238.696 241.654 1.00 0.00 C +ATOM 12 CA ASN A 12 240.543 240.040 245.219 1.00 0.00 C +ATOM 13 CA PRO A 13 238.518 242.467 247.347 1.00 0.00 C +ATOM 14 CA SER A 14 237.281 245.884 248.491 1.00 0.00 C +ATOM 15 CA PRO A 15 236.755 249.534 247.533 1.00 0.00 C +ATOM 16 CA SER A 16 239.224 252.157 248.774 1.00 0.00 C +ATOM 17 CA GLN A 17 239.189 255.887 249.554 1.00 0.00 C +ATOM 18 CA VAL A 18 240.485 259.272 250.725 1.00 0.00 C +ATOM 19 CA TYR A 19 243.089 259.045 253.497 1.00 0.00 C +ATOM 20 CA THR A 20 246.788 258.216 253.876 1.00 0.00 C +ATOM 21 CA THR A 21 250.193 257.686 252.250 1.00 0.00 C +ATOM 22 CA THR A 22 253.347 257.791 254.385 1.00 0.00 C +ATOM 23 CA GLU A 23 255.901 256.848 257.050 1.00 0.00 C +ATOM 24 CA TYR A 24 258.952 254.583 256.782 1.00 0.00 C +ATOM 25 CA LEU A 25 261.985 256.528 258.021 1.00 0.00 C +ATOM 26 CA SER A 26 265.693 257.337 257.683 1.00 0.00 C +ATOM 27 CA GLN A 27 269.316 258.442 257.273 1.00 0.00 C +ATOM 28 CA SER A 28 272.991 257.456 257.458 1.00 0.00 C +ATOM 29 CA LEU A 29 273.689 255.117 254.532 1.00 0.00 C +ATOM 30 CA SER A 30 273.648 251.588 255.967 1.00 0.00 C +ATOM 31 CA PRO A 31 271.959 248.195 255.577 1.00 0.00 C +ATOM 32 CA SER A 32 273.197 245.665 258.143 1.00 0.00 C +ATOM 33 CA GLY A 33 273.894 247.171 261.573 1.00 0.00 C +ATOM 34 CA THR A 34 275.832 248.863 264.383 1.00 0.00 C +ATOM 35 CA THR A 35 276.066 251.894 266.680 1.00 0.00 C +ATOM 36 CA LYS A 36 273.435 254.605 267.180 1.00 0.00 C +ATOM 37 CA TRP A 37 271.988 255.540 263.782 1.00 0.00 C +TER 38 TRP A 37 +END diff --git a/Viruses/Q5J5A1/Q5J5A1.dcd b/Viruses/Q5J5A1/Q5J5A1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..5bcf96839020c9629e0aeb7d927e94f2d9050401 --- /dev/null +++ b/Viruses/Q5J5A1/Q5J5A1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cf479dd93b45355acff9be1b611808866a5010fd2ba752c739309d045a31f8f8 +size 5120276 diff --git a/Viruses/Q5J5A1/top.pdb b/Viruses/Q5J5A1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f1d388a8f81284a109963c11db56d70d2cdf91be --- /dev/null +++ b/Viruses/Q5J5A1/top.pdb @@ -0,0 +1,40 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 267.106 264.087 266.091 1.00 0.00 C +ATOM 2 CA GLU A 2 265.304 260.778 266.652 1.00 0.00 C +ATOM 3 CA THR A 3 265.252 257.016 267.250 1.00 0.00 C +ATOM 4 CA PHE A 4 264.473 254.524 270.026 1.00 0.00 C +ATOM 5 CA HIS A 5 261.178 253.823 271.805 1.00 0.00 C +ATOM 6 CA LEU A 6 258.291 251.481 270.968 1.00 0.00 C +ATOM 7 CA THR A 7 254.820 251.121 269.439 1.00 0.00 C +ATOM 8 CA SER A 8 251.802 251.635 271.707 1.00 0.00 C +ATOM 9 CA SER A 9 248.713 253.527 270.528 1.00 0.00 C +ATOM 10 CA GLU A 10 246.471 254.621 267.649 1.00 0.00 C +ATOM 11 CA SER A 11 246.731 257.648 265.349 1.00 0.00 C +ATOM 12 CA ASN A 12 246.070 258.890 261.808 1.00 0.00 C +ATOM 13 CA PRO A 13 247.885 259.839 258.596 1.00 0.00 C +ATOM 14 CA SER A 14 249.305 262.938 256.894 1.00 0.00 C +ATOM 15 CA PRO A 15 246.876 265.027 254.831 1.00 0.00 C +ATOM 16 CA SER A 16 246.483 263.158 251.534 1.00 0.00 C +ATOM 17 CA GLN A 17 246.272 259.535 250.376 1.00 0.00 C +ATOM 18 CA VAL A 18 248.718 257.491 248.290 1.00 0.00 C +ATOM 19 CA SER A 19 249.714 256.449 244.763 1.00 0.00 C +ATOM 20 CA ILE A 20 248.323 253.150 243.460 1.00 0.00 C +ATOM 21 CA THR A 21 247.905 250.230 241.049 1.00 0.00 C +ATOM 22 CA SER A 22 245.386 248.125 239.114 1.00 0.00 C +ATOM 23 CA GLU A 23 241.958 247.176 237.747 1.00 0.00 C +ATOM 24 CA TYR A 24 240.366 244.462 235.599 1.00 0.00 C +ATOM 25 CA SER A 25 242.478 243.230 232.678 1.00 0.00 C +ATOM 26 CA SER A 26 241.227 243.559 229.094 1.00 0.00 C +ATOM 27 CA GLN A 27 241.658 240.078 227.607 1.00 0.00 C +ATOM 28 CA PRO A 28 241.805 236.631 229.224 1.00 0.00 C +ATOM 29 CA SER A 29 241.056 235.592 232.812 1.00 0.00 C +ATOM 30 CA SER A 30 243.240 233.500 235.130 1.00 0.00 C +ATOM 31 CA LEU A 31 246.889 233.688 236.209 1.00 0.00 C +ATOM 32 CA PRO A 32 248.823 236.648 237.629 1.00 0.00 C +ATOM 33 CA ASN A 33 251.859 238.145 235.881 1.00 0.00 C +ATOM 34 CA ILE A 34 253.200 240.768 238.296 1.00 0.00 C +ATOM 35 CA PRO A 35 255.202 242.172 241.218 1.00 0.00 C +ATOM 36 CA HIS A 36 257.161 239.259 242.699 1.00 0.00 C +TER 37 HIS A 36 +END diff --git a/Viruses/Q5J5A3/Q5J5A3.dcd b/Viruses/Q5J5A3/Q5J5A3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..1730245e4e356271b44964970cf9ef2600e31bad --- /dev/null +++ b/Viruses/Q5J5A3/Q5J5A3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:343bc69014c229f8687fe8837e05464df1c58d02ba982fd3db2203bffb066a4c +size 5120276 diff --git a/Viruses/Q5J5A3/top.pdb b/Viruses/Q5J5A3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e79b2409280c139378ec542f6815b2d9b24f768a --- /dev/null +++ b/Viruses/Q5J5A3/top.pdb @@ -0,0 +1,40 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLU A 1 238.058 239.060 250.207 1.00 0.00 C +ATOM 2 CA GLU A 2 236.532 241.377 247.596 1.00 0.00 C +ATOM 3 CA THR A 3 233.768 242.607 245.281 1.00 0.00 C +ATOM 4 CA LEU A 4 231.492 244.894 247.307 1.00 0.00 C +ATOM 5 CA HIS A 5 229.355 246.171 250.192 1.00 0.00 C +ATOM 6 CA SER A 6 228.150 249.763 249.793 1.00 0.00 C +ATOM 7 CA THR A 7 231.258 251.951 249.535 1.00 0.00 C +ATOM 8 CA SER A 8 233.624 254.898 249.050 1.00 0.00 C +ATOM 9 CA PRO A 9 236.552 254.342 246.677 1.00 0.00 C +ATOM 10 CA GLN A 10 237.347 255.253 243.064 1.00 0.00 C +ATOM 11 CA SER A 11 240.279 257.616 242.481 1.00 0.00 C +ATOM 12 CA ASN A 12 243.755 257.156 240.990 1.00 0.00 C +ATOM 13 CA THR A 13 246.220 259.988 240.342 1.00 0.00 C +ATOM 14 CA ILE A 14 249.755 258.579 240.534 1.00 0.00 C +ATOM 15 CA PRO A 15 253.047 258.770 242.442 1.00 0.00 C +ATOM 16 CA SER A 16 255.372 259.308 245.413 1.00 0.00 C +ATOM 17 CA GLN A 17 256.176 260.273 249.010 1.00 0.00 C +ATOM 18 CA ILE A 18 255.568 258.712 252.432 1.00 0.00 C +ATOM 19 CA TYR A 19 256.716 255.247 253.521 1.00 0.00 C +ATOM 20 CA THR A 20 258.538 252.720 251.326 1.00 0.00 C +ATOM 21 CA THR A 21 261.322 251.206 253.440 1.00 0.00 C +ATOM 22 CA SER A 22 264.155 249.423 251.620 1.00 0.00 C +ATOM 23 CA GLU A 23 267.135 248.025 253.539 1.00 0.00 C +ATOM 24 CA TYR A 24 270.395 246.118 253.036 1.00 0.00 C +ATOM 25 CA LEU A 25 270.462 242.428 252.092 1.00 0.00 C +ATOM 26 CA SER A 26 269.703 240.206 255.093 1.00 0.00 C +ATOM 27 CA GLN A 27 267.231 240.121 257.991 1.00 0.00 C +ATOM 28 CA PRO A 28 263.799 241.766 258.161 1.00 0.00 C +ATOM 29 CA PRO A 29 261.241 241.918 255.341 1.00 0.00 C +ATOM 30 CA SER A 30 258.390 244.435 255.555 1.00 0.00 C +ATOM 31 CA PRO A 31 255.598 247.002 255.191 1.00 0.00 C +ATOM 32 CA SER A 32 251.910 247.933 254.979 1.00 0.00 C +ATOM 33 CA ASN A 33 249.249 247.290 252.329 1.00 0.00 C +ATOM 34 CA ILE A 34 245.675 248.184 253.303 1.00 0.00 C +ATOM 35 CA THR A 35 245.050 251.635 251.816 1.00 0.00 C +ATOM 36 CA ASN A 36 247.127 253.625 249.318 1.00 0.00 C +TER 37 ASN A 36 +END diff --git a/Viruses/Q5J5A8/Q5J5A8.dcd b/Viruses/Q5J5A8/Q5J5A8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f874645039369ce0e3ce416c3b00770d9e96f878 --- /dev/null +++ b/Viruses/Q5J5A8/Q5J5A8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:adb5dcb35c1a13b7bef53a73d63e82b8aab823bdd2dd6f4ed1e4cde710b11d6d +size 5120276 diff --git a/Viruses/Q5J5A8/top.pdb b/Viruses/Q5J5A8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..38274b4f1e0efd5ce9ff3c000b8cfdb0286df778 --- /dev/null +++ b/Viruses/Q5J5A8/top.pdb @@ -0,0 +1,40 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA THR A 1 287.267 242.970 242.354 1.00 0.00 C +ATOM 2 CA GLU A 2 287.104 244.057 246.002 1.00 0.00 C +ATOM 3 CA THR A 3 284.305 244.807 248.476 1.00 0.00 C +ATOM 4 CA PHE A 4 281.716 247.602 248.412 1.00 0.00 C +ATOM 5 CA HIS A 5 280.716 249.965 251.229 1.00 0.00 C +ATOM 6 CA SER A 6 277.655 251.708 252.678 1.00 0.00 C +ATOM 7 CA THR A 7 274.420 253.444 253.699 1.00 0.00 C +ATOM 8 CA SER A 8 270.925 253.826 255.167 1.00 0.00 C +ATOM 9 CA SER A 9 269.077 257.097 255.800 1.00 0.00 C +ATOM 10 CA GLU A 10 269.291 259.983 253.321 1.00 0.00 C +ATOM 11 CA GLY A 11 267.957 260.409 249.777 1.00 0.00 C +ATOM 12 CA ASN A 12 264.347 259.218 249.528 1.00 0.00 C +ATOM 13 CA THR A 13 261.105 257.761 250.900 1.00 0.00 C +ATOM 14 CA SER A 14 257.918 256.810 249.042 1.00 0.00 C +ATOM 15 CA PRO A 15 255.004 259.221 248.581 1.00 0.00 C +ATOM 16 CA SER A 16 254.504 262.998 248.618 1.00 0.00 C +ATOM 17 CA GLN A 17 251.243 264.143 250.221 1.00 0.00 C +ATOM 18 CA VAL A 18 248.907 261.323 251.275 1.00 0.00 C +ATOM 19 CA SER A 19 248.054 258.324 249.085 1.00 0.00 C +ATOM 20 CA ILE A 20 249.214 254.715 249.462 1.00 0.00 C +ATOM 21 CA THR A 21 246.933 251.689 249.069 1.00 0.00 C +ATOM 22 CA SER A 22 244.630 248.700 248.539 1.00 0.00 C +ATOM 23 CA GLU A 23 240.972 249.530 249.205 1.00 0.00 C +ATOM 24 CA TYR A 24 238.328 249.949 251.916 1.00 0.00 C +ATOM 25 CA LEU A 25 235.183 248.520 253.523 1.00 0.00 C +ATOM 26 CA SER A 26 232.302 246.198 252.614 1.00 0.00 C +ATOM 27 CA GLN A 27 228.773 245.638 253.937 1.00 0.00 C +ATOM 28 CA PRO A 28 226.597 244.501 256.850 1.00 0.00 C +ATOM 29 CA SER A 29 223.484 242.345 256.432 1.00 0.00 C +ATOM 30 CA SER A 30 220.551 243.135 254.132 1.00 0.00 C +ATOM 31 CA PRO A 31 218.712 241.535 251.204 1.00 0.00 C +ATOM 32 CA SER A 32 217.127 240.323 247.958 1.00 0.00 C +ATOM 33 CA ASN A 33 217.432 239.073 244.372 1.00 0.00 C +ATOM 34 CA ILE A 34 220.702 238.582 242.479 1.00 0.00 C +ATOM 35 CA THR A 35 222.768 235.887 240.752 1.00 0.00 C +ATOM 36 CA GLN A 36 224.779 234.014 243.391 1.00 0.00 C +TER 37 GLN A 36 +END diff --git a/Viruses/Q5L446/Q5L446.dcd b/Viruses/Q5L446/Q5L446.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8384b57209d954210adb9567f6e08da069bd1ec7 --- /dev/null +++ b/Viruses/Q5L446/Q5L446.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:76030150b0cbe07dbe788ee3a4a905737e4566902fc843099abf494ad07f944a +size 13520276 diff --git a/Viruses/Q5L446/top.pdb b/Viruses/Q5L446/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1b15df299a31eb01f333dd5fa8d3deabf988f4f7 --- /dev/null +++ b/Viruses/Q5L446/top.pdb @@ -0,0 +1,110 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA VAL A 1 262.557 256.166 250.960 1.00 0.00 C +ATOM 2 CA GLY A 2 260.284 259.219 250.800 1.00 0.00 C +ATOM 3 CA THR A 3 258.147 262.360 250.506 1.00 0.00 C +ATOM 4 CA THR A 4 254.720 264.011 250.295 1.00 0.00 C +ATOM 5 CA THR A 5 251.181 265.250 250.973 1.00 0.00 C +ATOM 6 CA ALA A 6 247.973 263.274 251.535 1.00 0.00 C +ATOM 7 CA GLU A 7 244.411 262.345 252.518 1.00 0.00 C +ATOM 8 CA THR A 8 241.260 260.247 252.088 1.00 0.00 C +ATOM 9 CA PRO A 9 238.433 262.487 250.860 1.00 0.00 C +ATOM 10 CA PRO A 10 235.247 264.419 251.651 1.00 0.00 C +ATOM 11 CA SER A 11 232.271 263.836 249.345 1.00 0.00 C +ATOM 12 CA THR A 12 232.763 260.667 247.287 1.00 0.00 C +ATOM 13 CA GLN A 13 235.599 260.037 244.822 1.00 0.00 C +ATOM 14 CA GLN A 14 234.931 257.523 242.038 1.00 0.00 C +ATOM 15 CA GLU A 15 232.179 254.912 241.684 1.00 0.00 C +ATOM 16 CA THR A 16 228.841 253.501 240.507 1.00 0.00 C +ATOM 17 CA THR A 17 226.527 254.449 237.633 1.00 0.00 C +ATOM 18 CA PRO A 18 223.958 251.652 237.325 1.00 0.00 C +ATOM 19 CA PRO A 19 221.740 248.671 238.168 1.00 0.00 C +ATOM 20 CA ARG A 20 223.581 245.340 237.992 1.00 0.00 C +ATOM 21 CA GLY A 21 222.505 242.927 235.247 1.00 0.00 C +ATOM 22 CA GLU A 22 219.840 240.211 235.061 1.00 0.00 C +ATOM 23 CA ILE A 23 217.903 237.900 237.390 1.00 0.00 C +ATOM 24 CA LEU A 24 215.680 239.533 240.019 1.00 0.00 C +ATOM 25 CA TYR A 25 214.817 241.551 243.133 1.00 0.00 C +ATOM 26 CA THR A 26 212.533 244.372 244.291 1.00 0.00 C +ATOM 27 CA LYS A 27 213.863 247.901 243.752 1.00 0.00 C +ATOM 28 CA GLN A 28 216.116 250.809 242.759 1.00 0.00 C +ATOM 29 CA THR A 29 217.968 253.557 240.880 1.00 0.00 C +ATOM 30 CA ASP A 30 220.014 256.235 239.102 1.00 0.00 C +ATOM 31 CA HIS A 31 219.291 259.903 238.367 1.00 0.00 C +ATOM 32 CA LYS A 32 218.628 260.452 234.656 1.00 0.00 C +ATOM 33 CA HIS A 33 220.338 263.515 233.169 1.00 0.00 C +ATOM 34 CA ALA A 34 222.014 264.858 230.022 1.00 0.00 C +ATOM 35 CA ALA A 35 224.988 266.024 227.945 1.00 0.00 C +ATOM 36 CA GLU A 36 227.145 269.134 228.383 1.00 0.00 C +ATOM 37 CA LYS A 37 230.636 268.840 229.881 1.00 0.00 C +ATOM 38 CA GLY A 38 231.026 270.227 233.408 1.00 0.00 C +ATOM 39 CA ILE A 39 234.715 270.183 234.357 1.00 0.00 C +ATOM 40 CA GLN A 40 236.944 267.483 232.854 1.00 0.00 C +ATOM 41 CA TYR A 41 235.773 264.665 230.573 1.00 0.00 C +ATOM 42 CA ILE A 42 232.604 262.674 231.284 1.00 0.00 C +ATOM 43 CA CYS A 43 232.604 259.252 229.607 1.00 0.00 C +ATOM 44 CA THR A 44 232.388 255.510 230.287 1.00 0.00 C +ATOM 45 CA ALA A 45 232.123 252.188 228.440 1.00 0.00 C +ATOM 46 CA THR A 46 230.685 248.793 229.401 1.00 0.00 C +ATOM 47 CA LYS A 47 231.910 245.843 227.325 1.00 0.00 C +ATOM 48 CA PRO A 48 235.622 245.861 226.468 1.00 0.00 C +ATOM 49 CA GLU A 49 237.649 248.825 225.193 1.00 0.00 C +ATOM 50 CA ARG A 50 241.067 249.668 226.648 1.00 0.00 C +ATOM 51 CA GLU A 51 242.685 248.552 229.912 1.00 0.00 C +ATOM 52 CA GLN A 52 245.203 251.148 231.111 1.00 0.00 C +ATOM 53 CA GLN A 53 246.868 254.335 229.852 1.00 0.00 C +ATOM 54 CA THR A 54 249.187 255.651 227.130 1.00 0.00 C +ATOM 55 CA GLU A 55 252.373 257.614 226.415 1.00 0.00 C +ATOM 56 CA ARG A 56 255.645 257.593 228.366 1.00 0.00 C +ATOM 57 CA LYS A 57 256.983 254.032 228.159 1.00 0.00 C +ATOM 58 CA PRO A 58 255.119 251.998 230.787 1.00 0.00 C +ATOM 59 CA GLY A 59 252.375 251.453 233.374 1.00 0.00 C +ATOM 60 CA SER A 60 250.370 253.126 236.148 1.00 0.00 C +ATOM 61 CA GLU A 61 252.452 253.570 239.308 1.00 0.00 C +ATOM 62 CA ALA A 62 252.691 253.045 243.074 1.00 0.00 C +ATOM 63 CA GLN A 63 254.509 254.025 246.276 1.00 0.00 C +ATOM 64 CA ALA A 64 256.768 253.360 249.271 1.00 0.00 C +ATOM 65 CA GLU A 65 258.326 249.883 249.320 1.00 0.00 C +ATOM 66 CA ARG A 66 262.074 249.775 250.000 1.00 0.00 C +ATOM 67 CA THR A 67 265.055 250.798 247.859 1.00 0.00 C +ATOM 68 CA LYS A 68 268.763 250.439 248.655 1.00 0.00 C +ATOM 69 CA THR A 69 270.977 247.626 249.959 1.00 0.00 C +ATOM 70 CA TYR A 70 272.246 244.302 251.322 1.00 0.00 C +ATOM 71 CA THR A 71 274.614 241.589 252.565 1.00 0.00 C +ATOM 72 CA ALA A 72 277.196 242.309 255.273 1.00 0.00 C +ATOM 73 CA GLY A 73 279.293 239.890 257.339 1.00 0.00 C +ATOM 74 CA LYS A 74 278.204 236.904 259.440 1.00 0.00 C +ATOM 75 CA GLY A 75 277.125 236.851 263.094 1.00 0.00 C +ATOM 76 CA LYS A 76 276.650 239.350 265.930 1.00 0.00 C +ATOM 77 CA ASN A 77 277.417 241.819 268.729 1.00 0.00 C +ATOM 78 CA SER A 78 279.254 245.098 268.103 1.00 0.00 C +ATOM 79 CA LYS A 79 281.367 247.477 266.008 1.00 0.00 C +ATOM 80 CA LYS A 80 281.452 251.215 266.742 1.00 0.00 C +ATOM 81 CA GLU A 81 277.781 252.229 266.845 1.00 0.00 C +ATOM 82 CA GLU A 82 274.925 250.076 268.158 1.00 0.00 C +ATOM 83 CA GLN A 83 271.661 252.000 268.563 1.00 0.00 C +ATOM 84 CA GLN A 84 268.076 250.913 267.868 1.00 0.00 C +ATOM 85 CA THR A 85 267.473 247.159 267.617 1.00 0.00 C +ATOM 86 CA LYS A 86 268.088 244.583 270.356 1.00 0.00 C +ATOM 87 CA ASP A 87 265.324 242.264 271.580 1.00 0.00 C +ATOM 88 CA THR A 88 262.610 240.561 269.519 1.00 0.00 C +ATOM 89 CA HIS A 89 258.866 240.058 270.017 1.00 0.00 C +ATOM 90 CA GLY A 90 255.466 238.384 270.404 1.00 0.00 C +ATOM 91 CA GLU A 91 255.844 235.007 272.128 1.00 0.00 C +ATOM 92 CA GLU A 92 256.506 233.312 275.475 1.00 0.00 C +ATOM 93 CA LYS A 93 259.294 232.324 277.876 1.00 0.00 C +ATOM 94 CA ARG A 94 262.287 230.168 276.920 1.00 0.00 C +ATOM 95 CA ARG A 95 263.291 231.465 273.481 1.00 0.00 C +ATOM 96 CA GLU A 96 265.041 234.722 272.562 1.00 0.00 C +ATOM 97 CA GLU A 97 268.604 234.374 273.866 1.00 0.00 C +ATOM 98 CA GLU A 98 271.803 232.900 275.319 1.00 0.00 C +ATOM 99 CA THR A 99 275.584 232.724 275.757 1.00 0.00 C +ATOM 100 CA ASP A 100 277.797 233.709 278.697 1.00 0.00 C +ATOM 101 CA LYS A 101 280.301 235.639 280.824 1.00 0.00 C +ATOM 102 CA GLU A 102 282.852 237.917 282.502 1.00 0.00 C +ATOM 103 CA ALA A 103 282.871 239.841 285.791 1.00 0.00 C +ATOM 104 CA ARG A 104 282.879 238.472 289.346 1.00 0.00 C +ATOM 105 CA LYS A 105 286.156 236.580 289.792 1.00 0.00 C +ATOM 106 CA THR A 106 289.386 238.529 290.324 1.00 0.00 C +TER 107 THR A 106 +END diff --git a/Viruses/Q5MIE7/Q5MIE7.dcd b/Viruses/Q5MIE7/Q5MIE7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f965f80bb3a41124df89df0e2c57000b182da54a --- /dev/null +++ b/Viruses/Q5MIE7/Q5MIE7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b0aedc0d6462486e33bbb9a3a677c8dec02d5cb4faceea8d37ade79637f956ee +size 4880276 diff --git a/Viruses/Q5MIE7/top.pdb b/Viruses/Q5MIE7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a32bb368bd3e282041892d52c035235247a14980 --- /dev/null +++ b/Viruses/Q5MIE7/top.pdb @@ -0,0 +1,38 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA SER A 1 258.924 257.780 240.278 1.00 0.00 C +ATOM 2 CA MET A 2 259.269 255.353 237.361 1.00 0.00 C +ATOM 3 CA GLU A 3 256.732 252.536 237.736 1.00 0.00 C +ATOM 4 CA GLY A 4 256.742 249.413 235.554 1.00 0.00 C +ATOM 5 CA VAL A 5 256.550 245.616 235.302 1.00 0.00 C +ATOM 6 CA ALA A 6 255.994 241.850 235.459 1.00 0.00 C +ATOM 7 CA ALA A 7 255.516 240.238 238.878 1.00 0.00 C +ATOM 8 CA ALA A 8 252.384 239.595 240.949 1.00 0.00 C +ATOM 9 CA SER A 9 248.696 240.458 240.532 1.00 0.00 C +ATOM 10 CA ARG A 10 246.510 242.794 242.599 1.00 0.00 C +ATOM 11 CA ARG A 11 246.878 243.016 246.385 1.00 0.00 C +ATOM 12 CA PRO A 12 245.882 245.630 248.971 1.00 0.00 C +ATOM 13 CA GLN A 13 245.283 248.604 251.277 1.00 0.00 C +ATOM 14 CA ARG A 14 245.573 252.344 251.939 1.00 0.00 C +ATOM 15 CA ARG A 15 246.901 255.853 251.277 1.00 0.00 C +ATOM 16 CA ALA A 16 250.308 256.101 249.589 1.00 0.00 C +ATOM 17 CA ALA A 17 253.046 258.609 250.444 1.00 0.00 C +ATOM 18 CA ARG A 18 255.990 260.113 252.338 1.00 0.00 C +ATOM 19 CA THR A 19 257.968 257.889 254.715 1.00 0.00 C +ATOM 20 CA ARG A 20 259.006 255.693 257.651 1.00 0.00 C +ATOM 21 CA THR A 21 257.867 252.288 258.925 1.00 0.00 C +ATOM 22 CA ARG A 22 259.331 248.914 259.920 1.00 0.00 C +ATOM 23 CA THR A 23 256.847 246.025 259.914 1.00 0.00 C +ATOM 24 CA ARG A 24 254.057 245.903 257.321 1.00 0.00 C +ATOM 25 CA ALA A 25 251.142 244.548 255.277 1.00 0.00 C +ATOM 26 CA ALA A 26 248.464 242.933 257.453 1.00 0.00 C +ATOM 27 CA GLY A 27 244.978 243.497 256.024 1.00 0.00 C +ATOM 28 CA LEU A 28 242.596 245.362 258.341 1.00 0.00 C +ATOM 29 CA ARG A 29 241.480 248.787 257.099 1.00 0.00 C +ATOM 30 CA PRO A 30 239.240 250.590 259.597 1.00 0.00 C +ATOM 31 CA GLY A 31 237.515 253.426 257.726 1.00 0.00 C +ATOM 32 CA THR A 32 238.601 255.839 254.985 1.00 0.00 C +ATOM 33 CA LEU A 33 237.304 259.374 254.403 1.00 0.00 C +ATOM 34 CA SER A 34 236.427 263.029 253.781 1.00 0.00 C +TER 35 SER A 34 +END diff --git a/Viruses/Q5QF78/Q5QF78.dcd b/Viruses/Q5QF78/Q5QF78.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a759a2b673b3d96844f0ccf26b2458d45217a58c --- /dev/null +++ b/Viruses/Q5QF78/Q5QF78.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:14386c29f64bf77abed83c2ebcacc3ae054d0b45f00f7d4f54429a7a47fc6dec +size 8960276 diff --git a/Viruses/Q5QF78/top.pdb b/Viruses/Q5QF78/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2596f139630aa79a415c4d57d304a2faa1c74e2d --- /dev/null +++ b/Viruses/Q5QF78/top.pdb @@ -0,0 +1,72 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 225.322 244.477 255.783 1.00 0.00 C +ATOM 2 CA GLU A 2 222.114 242.500 256.343 1.00 0.00 C +ATOM 3 CA SER A 3 220.203 241.194 253.316 1.00 0.00 C +ATOM 4 CA GLU A 4 221.151 242.734 249.963 1.00 0.00 C +ATOM 5 CA THR A 5 220.306 245.920 248.052 1.00 0.00 C +ATOM 6 CA GLY A 6 222.171 248.834 249.649 1.00 0.00 C +ATOM 7 CA ARG A 7 220.727 252.212 250.658 1.00 0.00 C +ATOM 8 CA VAL A 8 220.562 255.900 251.600 1.00 0.00 C +ATOM 9 CA GLY A 9 224.150 256.946 252.342 1.00 0.00 C +ATOM 10 CA LYS A 10 227.025 254.484 251.906 1.00 0.00 C +ATOM 11 CA ILE A 11 230.048 252.458 253.035 1.00 0.00 C +ATOM 12 CA SER A 12 233.235 253.671 251.336 1.00 0.00 C +ATOM 13 CA ASP A 13 236.233 255.444 252.880 1.00 0.00 C +ATOM 14 CA PRO A 14 239.818 256.354 253.795 1.00 0.00 C +ATOM 15 CA GLY A 15 241.730 254.747 256.672 1.00 0.00 C +ATOM 16 CA ARG A 16 243.474 256.704 259.437 1.00 0.00 C +ATOM 17 CA ARG A 17 247.022 257.227 258.151 1.00 0.00 C +ATOM 18 CA LYS A 18 248.615 254.190 256.491 1.00 0.00 C +ATOM 19 CA ILE A 19 250.234 255.296 253.224 1.00 0.00 C +ATOM 20 CA ARG A 20 252.675 254.523 250.403 1.00 0.00 C +ATOM 21 CA GLY A 21 252.486 252.003 247.551 1.00 0.00 C +ATOM 22 CA ARG A 22 254.533 251.503 244.377 1.00 0.00 C +ATOM 23 CA LYS A 23 256.064 253.049 241.250 1.00 0.00 C +ATOM 24 CA PHE A 24 256.874 252.544 237.561 1.00 0.00 C +ATOM 25 CA PHE A 25 255.867 250.967 234.242 1.00 0.00 C +ATOM 26 CA ARG A 26 258.524 248.370 233.401 1.00 0.00 C +ATOM 27 CA GLY A 27 258.365 245.670 236.084 1.00 0.00 C +ATOM 28 CA ARG A 28 256.571 243.570 238.708 1.00 0.00 C +ATOM 29 CA ARG A 29 259.207 242.649 241.300 1.00 0.00 C +ATOM 30 CA LYS A 30 261.924 242.186 243.930 1.00 0.00 C +ATOM 31 CA ILE A 31 263.810 242.687 247.202 1.00 0.00 C +ATOM 32 CA ARG A 32 264.863 242.574 250.862 1.00 0.00 C +ATOM 33 CA CYS A 33 267.237 244.025 253.465 1.00 0.00 C +ATOM 34 CA ARG A 34 266.819 247.622 254.649 1.00 0.00 C +ATOM 35 CA GLN A 35 264.937 249.315 257.497 1.00 0.00 C +ATOM 36 CA VAL A 36 262.541 249.362 260.459 1.00 0.00 C +ATOM 37 CA GLY A 37 260.663 252.659 260.110 1.00 0.00 C +ATOM 38 CA LYS A 38 259.285 253.788 263.478 1.00 0.00 C +ATOM 39 CA ILE A 39 255.667 254.382 264.514 1.00 0.00 C +ATOM 40 CA SER A 40 253.645 251.181 264.087 1.00 0.00 C +ATOM 41 CA ASP A 41 250.238 250.436 262.555 1.00 0.00 C +ATOM 42 CA GLN A 42 246.856 248.965 263.514 1.00 0.00 C +ATOM 43 CA ASP A 43 245.419 246.571 260.923 1.00 0.00 C +ATOM 44 CA ARG A 44 241.618 246.320 260.835 1.00 0.00 C +ATOM 45 CA LYS A 45 238.777 248.533 259.592 1.00 0.00 C +ATOM 46 CA LYS A 46 237.120 248.801 256.172 1.00 0.00 C +ATOM 47 CA ILE A 47 236.784 248.008 252.460 1.00 0.00 C +ATOM 48 CA ARG A 48 239.932 249.051 250.583 1.00 0.00 C +ATOM 49 CA GLY A 49 243.458 250.009 251.661 1.00 0.00 C +ATOM 50 CA ARG A 50 246.736 248.161 251.060 1.00 0.00 C +ATOM 51 CA SER A 51 249.387 245.476 250.534 1.00 0.00 C +ATOM 52 CA GLU A 52 252.626 243.534 250.033 1.00 0.00 C +ATOM 53 CA LYS A 53 254.788 243.813 246.908 1.00 0.00 C +ATOM 54 CA ASN A 54 257.615 246.361 247.083 1.00 0.00 C +ATOM 55 CA PRO A 55 259.811 248.011 244.443 1.00 0.00 C +ATOM 56 CA PHE A 56 262.661 248.359 241.938 1.00 0.00 C +ATOM 57 CA ARG A 57 263.432 248.278 238.208 1.00 0.00 C +ATOM 58 CA VAL A 58 266.482 246.327 237.021 1.00 0.00 C +ATOM 59 CA GLY A 59 269.105 248.337 235.124 1.00 0.00 C +ATOM 60 CA LYS A 60 270.786 251.153 237.062 1.00 0.00 C +ATOM 61 CA ILE A 61 270.281 251.064 240.837 1.00 0.00 C +ATOM 62 CA SER A 62 270.088 250.947 244.641 1.00 0.00 C +ATOM 63 CA ASP A 63 268.842 252.682 247.795 1.00 0.00 C +ATOM 64 CA LYS A 64 266.382 255.380 248.884 1.00 0.00 C +ATOM 65 CA SER A 65 263.021 254.140 247.589 1.00 0.00 C +ATOM 66 CA GLY A 66 261.697 255.776 244.413 1.00 0.00 C +ATOM 67 CA ASN A 67 263.319 258.976 243.129 1.00 0.00 C +ATOM 68 CA GLN A 68 266.040 260.607 245.238 1.00 0.00 C +TER 69 GLN A 68 +END diff --git a/Viruses/Q5UNW3/Q5UNW3.dcd b/Viruses/Q5UNW3/Q5UNW3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..0e7b5186e6afb4c3795ad4e78abc7aa72cdf404d --- /dev/null +++ b/Viruses/Q5UNW3/Q5UNW3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b1c708dcfe2ea9578480d84fdc56bd7d762b8894a59074705ec7cefe956f736d +size 76720276 diff --git a/Viruses/Q5UNW3/top.pdb b/Viruses/Q5UNW3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7ed8d90e72ae13c06c50df9d646dad05c8dfaff3 --- /dev/null +++ b/Viruses/Q5UNW3/top.pdb @@ -0,0 +1,317 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 820.000 820.000 820.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 462.420 404.001 453.109 1.00 0.00 C +ATOM 2 CA SER A 2 460.494 406.503 450.976 1.00 0.00 C +ATOM 3 CA ARG A 3 456.790 405.626 450.821 1.00 0.00 C +ATOM 4 CA ASN A 4 454.529 408.213 452.470 1.00 0.00 C +ATOM 5 CA GLY A 5 451.179 409.012 450.841 1.00 0.00 C +ATOM 6 CA ARG A 6 449.084 411.800 449.306 1.00 0.00 C +ATOM 7 CA ASN A 7 446.853 414.842 448.770 1.00 0.00 C +ATOM 8 CA ASP A 8 445.789 414.991 445.115 1.00 0.00 C +ATOM 9 CA TYR A 9 443.289 413.544 442.630 1.00 0.00 C +ATOM 10 CA ASP A 10 443.103 409.772 443.132 1.00 0.00 C +ATOM 11 CA TYR A 11 439.703 408.390 442.110 1.00 0.00 C +ATOM 12 CA ASP A 12 439.579 407.939 438.328 1.00 0.00 C +ATOM 13 CA ASP A 13 437.904 410.443 435.996 1.00 0.00 C +ATOM 14 CA ASP A 14 439.574 411.313 432.683 1.00 0.00 C +ATOM 15 CA TYR A 15 442.486 412.561 430.567 1.00 0.00 C +ATOM 16 CA ASP A 16 444.859 410.859 428.120 1.00 0.00 C +ATOM 17 CA ASN A 17 446.875 407.631 428.287 1.00 0.00 C +ATOM 18 CA ASP A 18 447.728 403.918 428.360 1.00 0.00 C +ATOM 19 CA GLN A 19 445.177 401.158 428.985 1.00 0.00 C +ATOM 20 CA MET A 20 444.964 397.894 430.938 1.00 0.00 C +ATOM 21 CA GLY A 21 448.033 395.752 430.227 1.00 0.00 C +ATOM 22 CA GLY A 22 448.777 392.472 428.436 1.00 0.00 C +ATOM 23 CA ARG A 23 449.365 388.951 427.105 1.00 0.00 C +ATOM 24 CA LEU A 24 450.180 386.121 429.521 1.00 0.00 C +ATOM 25 CA ALA A 25 450.515 382.534 430.763 1.00 0.00 C +ATOM 26 CA ARG A 26 449.223 381.026 434.014 1.00 0.00 C +ATOM 27 CA ASP A 27 446.752 378.174 433.495 1.00 0.00 C +ATOM 28 CA ARG A 28 447.036 375.603 430.697 1.00 0.00 C +ATOM 29 CA GLU A 29 446.103 377.110 427.324 1.00 0.00 C +ATOM 30 CA ARG A 30 447.412 378.849 424.198 1.00 0.00 C +ATOM 31 CA ASP A 31 450.839 380.200 425.171 1.00 0.00 C +ATOM 32 CA SER A 32 453.604 382.495 423.905 1.00 0.00 C +ATOM 33 CA GLU A 33 452.721 383.700 420.400 1.00 0.00 C +ATOM 34 CA GLY A 34 450.406 382.191 417.777 1.00 0.00 C +ATOM 35 CA TYR A 35 447.961 379.959 415.891 1.00 0.00 C +ATOM 36 CA LEU A 36 448.553 376.457 414.511 1.00 0.00 C +ATOM 37 CA TYR A 37 451.457 376.567 412.048 1.00 0.00 C +ATOM 38 CA THR A 38 450.476 378.000 408.657 1.00 0.00 C +ATOM 39 CA LYS A 39 450.758 381.563 407.337 1.00 0.00 C +ATOM 40 CA THR A 40 448.808 381.910 404.082 1.00 0.00 C +ATOM 41 CA GLY A 41 447.897 384.989 402.032 1.00 0.00 C +ATOM 42 CA GLU A 42 448.282 388.599 400.874 1.00 0.00 C +ATOM 43 CA ARG A 43 445.971 391.196 399.316 1.00 0.00 C +ATOM 44 CA ASN A 44 443.481 391.570 396.457 1.00 0.00 C +ATOM 45 CA ARG A 45 440.791 389.570 394.645 1.00 0.00 C +ATOM 46 CA ARG A 46 437.924 387.231 395.553 1.00 0.00 C +ATOM 47 CA SER A 47 435.100 384.912 394.475 1.00 0.00 C +ATOM 48 CA GLY A 48 436.089 381.314 393.706 1.00 0.00 C +ATOM 49 CA PRO A 49 435.728 379.480 397.026 1.00 0.00 C +ATOM 50 CA GLU A 50 437.132 376.973 399.527 1.00 0.00 C +ATOM 51 CA ALA A 51 435.502 373.529 399.550 1.00 0.00 C +ATOM 52 CA ARG A 52 437.195 370.118 399.675 1.00 0.00 C +ATOM 53 CA GLU A 53 438.621 369.612 396.178 1.00 0.00 C +ATOM 54 CA ARG A 54 438.248 372.293 393.497 1.00 0.00 C +ATOM 55 CA ASN A 55 434.505 372.968 393.267 1.00 0.00 C +ATOM 56 CA ARG A 56 432.537 369.882 394.326 1.00 0.00 C +ATOM 57 CA GLU A 57 431.262 366.304 394.028 1.00 0.00 C +ATOM 58 CA ASN A 58 427.511 366.023 394.633 1.00 0.00 C +ATOM 59 CA ALA A 59 425.817 367.901 397.483 1.00 0.00 C +ATOM 60 CA LEU A 60 423.742 366.753 400.465 1.00 0.00 C +ATOM 61 CA ASN A 61 421.111 364.059 399.888 1.00 0.00 C +ATOM 62 CA ARG A 62 417.642 363.244 398.539 1.00 0.00 C +ATOM 63 CA SER A 63 416.452 362.557 394.986 1.00 0.00 C +ATOM 64 CA ARG A 64 417.455 359.510 392.929 1.00 0.00 C +ATOM 65 CA ASN A 65 418.152 356.408 390.830 1.00 0.00 C +ATOM 66 CA ASP A 66 414.810 354.712 390.144 1.00 0.00 C +ATOM 67 CA GLY A 67 413.795 351.520 388.327 1.00 0.00 C +ATOM 68 CA ARG A 68 416.271 348.626 388.240 1.00 0.00 C +ATOM 69 CA PHE A 69 419.194 349.789 386.092 1.00 0.00 C +ATOM 70 CA ALA A 70 422.610 350.855 384.783 1.00 0.00 C +ATOM 71 CA PRO A 71 422.365 353.605 382.157 1.00 0.00 C +ATOM 72 CA GLU A 72 421.987 355.968 379.192 1.00 0.00 C +ATOM 73 CA ARG A 73 418.711 357.513 378.012 1.00 0.00 C +ATOM 74 CA GLY A 74 417.678 360.872 379.486 1.00 0.00 C +ATOM 75 CA GLY A 75 420.316 362.906 381.335 1.00 0.00 C +ATOM 76 CA ARG A 76 421.861 365.071 384.063 1.00 0.00 C +ATOM 77 CA GLY A 77 422.942 363.470 387.347 1.00 0.00 C +ATOM 78 CA TYR A 78 424.661 360.591 389.156 1.00 0.00 C +ATOM 79 CA GLY A 79 427.912 359.675 390.919 1.00 0.00 C +ATOM 80 CA ASP A 80 431.681 359.742 391.471 1.00 0.00 C +ATOM 81 CA ASP A 81 433.915 356.716 392.080 1.00 0.00 C +ATOM 82 CA ASP A 82 436.669 355.012 394.086 1.00 0.00 C +ATOM 83 CA VAL A 83 436.921 353.291 397.476 1.00 0.00 C +ATOM 84 CA LYS A 84 433.533 353.617 399.187 1.00 0.00 C +ATOM 85 CA TYR A 85 431.976 356.796 400.599 1.00 0.00 C +ATOM 86 CA THR A 86 434.329 358.640 402.961 1.00 0.00 C +ATOM 87 CA LYS A 87 436.681 359.632 405.789 1.00 0.00 C +ATOM 88 CA SER A 88 438.284 360.445 409.148 1.00 0.00 C +ATOM 89 CA GLY A 89 440.058 363.488 410.600 1.00 0.00 C +ATOM 90 CA ARG A 90 441.728 366.223 412.662 1.00 0.00 C +ATOM 91 CA VAL A 91 441.100 368.069 415.935 1.00 0.00 C +ATOM 92 CA ASN A 92 443.689 370.091 417.866 1.00 0.00 C +ATOM 93 CA GLY A 93 444.679 370.710 421.492 1.00 0.00 C +ATOM 94 CA ARG A 94 442.349 370.876 424.502 1.00 0.00 C +ATOM 95 CA THR A 95 439.297 373.153 424.361 1.00 0.00 C +ATOM 96 CA THR A 96 438.459 376.104 422.101 1.00 0.00 C +ATOM 97 CA ARG A 97 441.148 376.669 419.461 1.00 0.00 C +ATOM 98 CA GLU A 98 442.321 379.964 417.950 1.00 0.00 C +ATOM 99 CA ALA A 99 441.317 383.624 417.618 1.00 0.00 C +ATOM 100 CA ARG A 100 442.153 387.159 416.468 1.00 0.00 C +ATOM 101 CA GLU A 101 440.900 390.459 417.902 1.00 0.00 C +ATOM 102 CA ARG A 102 437.937 392.680 417.005 1.00 0.00 C +ATOM 103 CA ASN A 103 435.097 394.927 415.821 1.00 0.00 C +ATOM 104 CA SER A 104 433.007 393.992 412.776 1.00 0.00 C +ATOM 105 CA ARG A 105 433.155 392.850 409.144 1.00 0.00 C +ATOM 106 CA THR A 106 431.884 391.121 405.996 1.00 0.00 C +ATOM 107 CA ALA A 107 429.304 389.437 403.755 1.00 0.00 C +ATOM 108 CA ARG A 108 429.614 385.661 403.348 1.00 0.00 C +ATOM 109 CA SER A 109 431.679 382.525 402.703 1.00 0.00 C +ATOM 110 CA GLU A 110 434.834 381.256 404.422 1.00 0.00 C +ATOM 111 CA GLU A 111 436.885 384.150 405.811 1.00 0.00 C +ATOM 112 CA ARG A 112 437.344 387.921 406.096 1.00 0.00 C +ATOM 113 CA ASP A 113 439.201 390.646 408.006 1.00 0.00 C +ATOM 114 CA GLU A 114 442.016 393.195 408.303 1.00 0.00 C +ATOM 115 CA LEU A 115 442.263 396.997 408.334 1.00 0.00 C +ATOM 116 CA GLY A 116 444.970 399.489 409.323 1.00 0.00 C +ATOM 117 CA ARG A 117 443.532 402.986 408.856 1.00 0.00 C +ATOM 118 CA PHE A 118 439.804 402.477 408.252 1.00 0.00 C +ATOM 119 CA ILE A 119 436.869 404.608 409.419 1.00 0.00 C +ATOM 120 CA GLY A 120 436.188 407.798 407.451 1.00 0.00 C +ATOM 121 CA LYS A 121 438.486 410.429 408.972 1.00 0.00 C +ATOM 122 CA ARG A 122 437.284 412.311 412.059 1.00 0.00 C +ATOM 123 CA GLY A 123 438.113 416.005 411.637 1.00 0.00 C +ATOM 124 CA SER A 124 435.563 418.753 410.953 1.00 0.00 C +ATOM 125 CA SER A 125 432.979 419.595 408.283 1.00 0.00 C +ATOM 126 CA ARG A 126 430.731 420.385 405.310 1.00 0.00 C +ATOM 127 CA ALA A 127 431.475 419.644 401.647 1.00 0.00 C +ATOM 128 CA THR A 128 433.209 416.808 399.787 1.00 0.00 C +ATOM 129 CA ARG A 129 434.650 413.817 401.656 1.00 0.00 C +ATOM 130 CA GLY A 130 435.117 410.570 399.718 1.00 0.00 C +ATOM 131 CA THR A 131 437.844 407.916 399.526 1.00 0.00 C +ATOM 132 CA TYR A 132 441.350 408.809 400.720 1.00 0.00 C +ATOM 133 CA THR A 133 444.930 407.951 401.702 1.00 0.00 C +ATOM 134 CA GLU A 134 446.366 404.843 400.028 1.00 0.00 C +ATOM 135 CA GLY A 135 446.382 402.047 402.616 1.00 0.00 C +ATOM 136 CA ALA A 136 445.427 398.826 400.820 1.00 0.00 C +ATOM 137 CA ASN A 137 442.406 397.414 398.977 1.00 0.00 C +ATOM 138 CA ASP A 138 438.769 397.883 400.012 1.00 0.00 C +ATOM 139 CA ALA A 139 438.356 398.370 403.768 1.00 0.00 C +ATOM 140 CA ALA A 140 435.017 397.610 405.438 1.00 0.00 C +ATOM 141 CA GLN A 141 432.797 400.557 404.487 1.00 0.00 C +ATOM 142 CA LEU A 142 429.520 400.438 402.548 1.00 0.00 C +ATOM 143 CA LEU A 143 426.867 403.024 401.660 1.00 0.00 C +ATOM 144 CA LEU A 144 427.283 404.898 398.368 1.00 0.00 C +ATOM 145 CA GLY A 145 425.610 406.567 395.380 1.00 0.00 C +ATOM 146 CA GLY A 146 425.374 410.236 396.377 1.00 0.00 C +ATOM 147 CA LYS A 147 427.733 411.902 398.863 1.00 0.00 C +ATOM 148 CA GLN A 148 426.685 412.310 402.504 1.00 0.00 C +ATOM 149 CA GLY A 149 426.656 416.069 403.126 1.00 0.00 C +ATOM 150 CA VAL A 150 423.577 418.300 402.886 1.00 0.00 C +ATOM 151 CA ALA A 151 422.403 421.337 404.864 1.00 0.00 C +ATOM 152 CA GLU A 152 419.030 422.491 406.207 1.00 0.00 C +ATOM 153 CA ASN A 153 416.590 423.840 408.804 1.00 0.00 C +ATOM 154 CA PRO A 154 414.348 426.447 407.162 1.00 0.00 C +ATOM 155 CA GLU A 155 413.079 429.928 406.277 1.00 0.00 C +ATOM 156 CA THR A 156 410.023 432.203 406.195 1.00 0.00 C +ATOM 157 CA ASP A 157 410.223 435.492 408.108 1.00 0.00 C +ATOM 158 CA GLU A 158 413.180 435.691 410.503 1.00 0.00 C +ATOM 159 CA ARG A 159 416.298 437.246 412.045 1.00 0.00 C +ATOM 160 CA HIS A 160 415.531 439.929 414.639 1.00 0.00 C +ATOM 161 CA SER A 161 418.211 440.540 417.278 1.00 0.00 C +ATOM 162 CA ASP A 162 419.557 438.805 420.392 1.00 0.00 C +ATOM 163 CA ALA A 163 421.644 435.923 421.754 1.00 0.00 C +ATOM 164 CA PHE A 164 420.764 432.832 419.707 1.00 0.00 C +ATOM 165 CA ARG A 165 419.324 429.312 419.493 1.00 0.00 C +ATOM 166 CA MET A 166 415.593 429.469 420.248 1.00 0.00 C +ATOM 167 CA GLU A 167 413.936 427.259 417.624 1.00 0.00 C +ATOM 168 CA HIS A 168 411.667 424.835 415.755 1.00 0.00 C +ATOM 169 CA ARG A 169 408.560 422.694 416.285 1.00 0.00 C +ATOM 170 CA ARG A 170 408.470 421.805 419.989 1.00 0.00 C +ATOM 171 CA LEU A 171 405.662 420.871 422.389 1.00 0.00 C +ATOM 172 CA ALA A 172 402.996 423.270 423.673 1.00 0.00 C +ATOM 173 CA GLU A 173 399.563 421.722 423.095 1.00 0.00 C +ATOM 174 CA GLU A 174 396.604 422.237 425.439 1.00 0.00 C +ATOM 175 CA ARG A 175 393.483 421.213 423.508 1.00 0.00 C +ATOM 176 CA GLU A 176 390.677 419.112 424.999 1.00 0.00 C +ATOM 177 CA ARG A 177 388.975 415.708 424.813 1.00 0.00 C +ATOM 178 CA ASP A 178 386.347 414.194 422.507 1.00 0.00 C +ATOM 179 CA GLU A 179 383.538 411.926 421.290 1.00 0.00 C +ATOM 180 CA PHE A 180 380.987 409.779 419.446 1.00 0.00 C +ATOM 181 CA GLY A 181 377.837 410.529 417.439 1.00 0.00 C +ATOM 182 CA ARG A 182 376.875 414.069 418.467 1.00 0.00 C +ATOM 183 CA PHE A 183 373.878 415.883 416.969 1.00 0.00 C +ATOM 184 CA LEU A 184 373.530 416.043 413.178 1.00 0.00 C +ATOM 185 CA PRO A 185 371.109 413.447 411.794 1.00 0.00 C +ATOM 186 CA THR A 186 368.956 411.576 409.268 1.00 0.00 C +ATOM 187 CA GLU A 187 366.562 410.394 406.551 1.00 0.00 C +ATOM 188 CA ASP A 188 362.772 410.787 406.548 1.00 0.00 C +ATOM 189 CA GLY A 189 360.711 407.700 405.689 1.00 0.00 C +ATOM 190 CA GLU A 190 360.460 403.969 406.422 1.00 0.00 C +ATOM 191 CA ASP A 191 357.639 401.969 404.825 1.00 0.00 C +ATOM 192 CA GLY A 192 354.494 401.514 402.723 1.00 0.00 C +ATOM 193 CA ARG A 193 352.551 403.533 400.141 1.00 0.00 C +ATOM 194 CA ARG A 194 350.553 406.329 401.786 1.00 0.00 C +ATOM 195 CA GLY A 195 347.618 405.975 404.189 1.00 0.00 C +ATOM 196 CA ARG A 196 344.843 408.540 403.698 1.00 0.00 C +ATOM 197 CA ARG A 197 346.385 411.345 401.632 1.00 0.00 C +ATOM 198 CA SER A 198 345.734 415.093 401.416 1.00 0.00 C +ATOM 199 CA ASN A 199 342.579 416.818 402.675 1.00 0.00 C +ATOM 200 CA SER A 200 340.464 419.986 402.701 1.00 0.00 C +ATOM 201 CA ARG A 201 339.071 423.035 400.890 1.00 0.00 C +ATOM 202 CA ARG A 202 338.434 425.990 398.571 1.00 0.00 C +ATOM 203 CA ARG A 203 341.021 428.289 396.978 1.00 0.00 C +ATOM 204 CA SER A 204 342.294 431.278 398.969 1.00 0.00 C +ATOM 205 CA SER A 205 345.657 433.059 399.141 1.00 0.00 C +ATOM 206 CA ASN A 206 348.948 434.143 400.726 1.00 0.00 C +ATOM 207 CA ALA A 207 348.963 436.566 403.667 1.00 0.00 C +ATOM 208 CA ARG A 208 351.338 439.464 402.977 1.00 0.00 C +ATOM 209 CA SER A 209 352.623 440.543 399.557 1.00 0.00 C +ATOM 210 CA THR A 210 356.143 439.094 399.402 1.00 0.00 C +ATOM 211 CA SER A 211 358.036 436.073 400.747 1.00 0.00 C +ATOM 212 CA SER A 212 360.844 433.499 400.808 1.00 0.00 C +ATOM 213 CA ARG A 213 364.366 432.162 401.377 1.00 0.00 C +ATOM 214 CA SER A 214 364.525 428.471 400.445 1.00 0.00 C +ATOM 215 CA SER A 215 362.254 426.694 402.934 1.00 0.00 C +ATOM 216 CA GLY A 216 361.176 428.467 406.130 1.00 0.00 C +ATOM 217 CA SER A 217 363.051 430.383 408.837 1.00 0.00 C +ATOM 218 CA ARG A 218 362.780 434.172 408.538 1.00 0.00 C +ATOM 219 CA SER A 219 361.686 436.830 406.038 1.00 0.00 C +ATOM 220 CA SER A 220 363.356 440.247 406.274 1.00 0.00 C +ATOM 221 CA GLY A 221 363.874 442.660 409.177 1.00 0.00 C +ATOM 222 CA SER A 222 363.534 446.200 410.544 1.00 0.00 C +ATOM 223 CA ARG A 223 360.013 447.302 411.492 1.00 0.00 C +ATOM 224 CA SER A 224 359.318 450.743 412.973 1.00 0.00 C +ATOM 225 CA SER A 225 361.766 453.533 412.113 1.00 0.00 C +ATOM 226 CA GLY A 226 360.446 456.879 413.369 1.00 0.00 C +ATOM 227 CA SER A 227 360.335 460.294 411.685 1.00 0.00 C +ATOM 228 CA ARG A 228 362.647 463.246 412.363 1.00 0.00 C +ATOM 229 CA SER A 229 364.121 462.756 415.842 1.00 0.00 C +ATOM 230 CA SER A 230 366.320 461.402 418.644 1.00 0.00 C +ATOM 231 CA GLY A 231 368.013 462.643 421.823 1.00 0.00 C +ATOM 232 CA SER A 232 370.078 465.558 423.148 1.00 0.00 C +ATOM 233 CA ARG A 233 372.632 463.944 425.470 1.00 0.00 C +ATOM 234 CA SER A 234 374.746 460.819 425.997 1.00 0.00 C +ATOM 235 CA THR A 235 377.669 458.827 427.412 1.00 0.00 C +ATOM 236 CA GLY A 236 380.467 456.354 426.654 1.00 0.00 C +ATOM 237 CA SER A 237 383.254 457.418 424.284 1.00 0.00 C +ATOM 238 CA LYS A 238 382.782 457.394 420.504 1.00 0.00 C +ATOM 239 CA THR A 239 383.035 455.443 417.241 1.00 0.00 C +ATOM 240 CA SER A 240 382.806 451.685 416.659 1.00 0.00 C +ATOM 241 CA SER A 241 383.661 448.151 415.518 1.00 0.00 C +ATOM 242 CA ARG A 242 382.525 445.138 417.554 1.00 0.00 C +ATOM 243 CA SER A 243 380.167 442.819 415.662 1.00 0.00 C +ATOM 244 CA SER A 244 376.734 443.747 414.295 1.00 0.00 C +ATOM 245 CA GLY A 245 373.797 445.964 413.310 1.00 0.00 C +ATOM 246 CA SER A 246 370.775 447.560 411.625 1.00 0.00 C +ATOM 247 CA LYS A 247 370.477 447.277 407.838 1.00 0.00 C +ATOM 248 CA THR A 248 372.880 445.955 405.193 1.00 0.00 C +ATOM 249 CA SER A 249 375.601 444.791 402.794 1.00 0.00 C +ATOM 250 CA ARG A 250 377.380 446.800 400.089 1.00 0.00 C +ATOM 251 CA SER A 251 380.628 445.845 398.342 1.00 0.00 C +ATOM 252 CA SER A 252 383.335 448.527 398.312 1.00 0.00 C +ATOM 253 CA GLY A 253 386.167 449.752 400.546 1.00 0.00 C +ATOM 254 CA SER A 254 385.975 447.689 403.744 1.00 0.00 C +ATOM 255 CA SER A 255 384.767 444.849 405.978 1.00 0.00 C +ATOM 256 CA ARG A 256 384.755 444.401 409.762 1.00 0.00 C +ATOM 257 CA SER A 257 388.228 445.379 410.985 1.00 0.00 C +ATOM 258 CA ARG A 258 391.213 443.077 410.434 1.00 0.00 C +ATOM 259 CA SER A 259 390.863 440.596 407.564 1.00 0.00 C +ATOM 260 CA GLY A 260 392.648 439.962 404.258 1.00 0.00 C +ATOM 261 CA SER A 261 392.719 443.191 402.237 1.00 0.00 C +ATOM 262 CA SER A 262 392.865 446.300 400.039 1.00 0.00 C +ATOM 263 CA GLY A 263 395.169 448.895 398.466 1.00 0.00 C +ATOM 264 CA SER A 264 398.164 449.824 396.302 1.00 0.00 C +ATOM 265 CA LYS A 265 400.333 448.765 393.354 1.00 0.00 C +ATOM 266 CA SER A 266 404.111 448.462 393.740 1.00 0.00 C +ATOM 267 CA GLY A 267 405.318 444.922 394.468 1.00 0.00 C +ATOM 268 CA ARG A 268 404.762 441.341 393.293 1.00 0.00 C +ATOM 269 CA SER A 269 403.317 441.741 389.790 1.00 0.00 C +ATOM 270 CA ARG A 270 399.975 441.185 388.047 1.00 0.00 C +ATOM 271 CA ASN A 271 396.211 441.758 388.168 1.00 0.00 C +ATOM 272 CA SER A 272 394.808 439.664 391.025 1.00 0.00 C +ATOM 273 CA ARG A 273 392.116 437.492 392.623 1.00 0.00 C +ATOM 274 CA SER A 274 388.905 437.917 394.629 1.00 0.00 C +ATOM 275 CA GLY A 275 385.224 437.676 395.581 1.00 0.00 C +ATOM 276 CA THR A 276 382.113 435.731 396.610 1.00 0.00 C +ATOM 277 CA SER A 277 383.307 432.989 398.970 1.00 0.00 C +ATOM 278 CA GLY A 278 384.420 431.276 402.186 1.00 0.00 C +ATOM 279 CA ARG A 279 387.233 428.949 401.096 1.00 0.00 C +ATOM 280 CA SER A 280 389.632 426.863 398.996 1.00 0.00 C +ATOM 281 CA SER A 281 392.988 427.086 400.785 1.00 0.00 C +ATOM 282 CA ASN A 282 395.117 429.596 398.866 1.00 0.00 C +ATOM 283 CA SER A 283 398.554 429.335 397.243 1.00 0.00 C +ATOM 284 CA ARG A 284 400.966 428.897 394.326 1.00 0.00 C +ATOM 285 CA SER A 285 404.320 427.097 394.175 1.00 0.00 C +ATOM 286 CA GLY A 286 406.630 425.695 396.861 1.00 0.00 C +ATOM 287 CA SER A 287 408.605 425.213 400.083 1.00 0.00 C +ATOM 288 CA ARG A 288 408.476 426.277 403.740 1.00 0.00 C +ATOM 289 CA SER A 289 405.479 426.965 405.989 1.00 0.00 C +ATOM 290 CA GLY A 290 403.316 429.941 406.981 1.00 0.00 C +ATOM 291 CA SER A 291 401.434 429.388 410.247 1.00 0.00 C +ATOM 292 CA SER A 292 399.441 426.674 412.031 1.00 0.00 C +ATOM 293 CA SER A 293 398.755 423.018 412.853 1.00 0.00 C +ATOM 294 CA ARG A 294 399.204 419.998 415.132 1.00 0.00 C +ATOM 295 CA SER A 295 401.208 418.014 417.694 1.00 0.00 C +ATOM 296 CA SER A 296 401.285 415.011 420.038 1.00 0.00 C +ATOM 297 CA ASN A 297 402.992 414.735 423.433 1.00 0.00 C +ATOM 298 CA SER A 298 404.281 411.702 425.345 1.00 0.00 C +ATOM 299 CA ARG A 299 404.753 410.474 428.920 1.00 0.00 C +ATOM 300 CA SER A 300 406.411 407.081 429.428 1.00 0.00 C +ATOM 301 CA GLY A 301 408.661 407.316 432.494 1.00 0.00 C +ATOM 302 CA SER A 302 411.058 409.598 434.382 1.00 0.00 C +ATOM 303 CA ARG A 303 410.784 413.373 433.943 1.00 0.00 C +ATOM 304 CA SER A 304 411.339 417.009 434.938 1.00 0.00 C +ATOM 305 CA SER A 305 409.542 420.228 433.977 1.00 0.00 C +ATOM 306 CA SER A 306 406.187 419.972 435.764 1.00 0.00 C +ATOM 307 CA ARG A 307 403.786 417.706 433.863 1.00 0.00 C +ATOM 308 CA SER A 308 402.217 416.431 430.634 1.00 0.00 C +ATOM 309 CA GLY A 309 399.256 416.949 428.293 1.00 0.00 C +ATOM 310 CA SER A 310 395.723 415.669 428.922 1.00 0.00 C +ATOM 311 CA SER A 311 395.091 412.392 427.085 1.00 0.00 C +ATOM 312 CA ARG A 312 397.982 411.351 424.832 1.00 0.00 C +ATOM 313 CA ARG A 313 397.701 407.733 423.672 1.00 0.00 C +TER 314 ARG A 313 +END diff --git a/Viruses/Q5UQA4/Q5UQA4.dcd b/Viruses/Q5UQA4/Q5UQA4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..745bf3939499b3943b41c8fc62b773a1d0c62d8d --- /dev/null +++ b/Viruses/Q5UQA4/Q5UQA4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4885cbf737726c1b067566a0be7f8195b1481b67327bb098dfa3751029f1009c +size 51960276 diff --git a/Viruses/Q5UQA4/top.pdb b/Viruses/Q5UQA4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e21a306b9cdb618dfcfa7e5db4c0ed52098d7a09 --- /dev/null +++ b/Viruses/Q5UQA4/top.pdb @@ -0,0 +1,286 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 261.064 281.386 265.410 1.00 0.00 C +ATOM 2 CA PRO A 2 264.153 283.608 265.600 1.00 0.00 C +ATOM 3 CA LYS A 3 267.496 285.307 264.927 1.00 0.00 C +ATOM 4 CA LYS A 4 270.709 284.364 266.745 1.00 0.00 C +ATOM 5 CA THR A 5 272.807 287.419 267.630 1.00 0.00 C +ATOM 6 CA ALA A 6 273.930 290.717 266.089 1.00 0.00 C +ATOM 7 CA THR A 7 272.248 293.467 264.058 1.00 0.00 C +ATOM 8 CA LYS A 8 270.486 296.223 262.104 1.00 0.00 C +ATOM 9 CA ALA A 9 272.888 299.162 261.766 1.00 0.00 C +ATOM 10 CA ASN A 10 274.905 302.336 262.371 1.00 0.00 C +ATOM 11 CA PRO A 11 273.755 305.389 264.339 1.00 0.00 C +ATOM 12 CA LYS A 12 271.559 307.316 266.785 1.00 0.00 C +ATOM 13 CA GLU A 13 269.748 306.996 270.122 1.00 0.00 C +ATOM 14 CA VAL A 14 271.594 304.651 272.489 1.00 0.00 C +ATOM 15 CA SER A 15 274.984 303.462 273.757 1.00 0.00 C +ATOM 16 CA ASP A 16 278.421 302.851 272.230 1.00 0.00 C +ATOM 17 CA SER A 17 282.215 302.570 272.033 1.00 0.00 C +ATOM 18 CA GLU A 18 283.971 300.160 269.662 1.00 0.00 C +ATOM 19 CA ASN A 19 284.628 301.020 266.008 1.00 0.00 C +ATOM 20 CA ASP A 20 282.277 302.091 263.208 1.00 0.00 C +ATOM 21 CA SER A 21 281.228 305.742 262.911 1.00 0.00 C +ATOM 22 CA VAL A 22 280.192 309.036 264.520 1.00 0.00 C +ATOM 23 CA VAL A 23 279.271 311.562 261.821 1.00 0.00 C +ATOM 24 CA SER A 24 276.552 314.111 261.030 1.00 0.00 C +ATOM 25 CA GLU A 25 276.669 317.792 260.054 1.00 0.00 C +ATOM 26 CA GLU A 26 277.820 320.293 262.688 1.00 0.00 C +ATOM 27 CA GLU A 27 278.763 323.973 262.399 1.00 0.00 C +ATOM 28 CA ASP A 28 281.398 324.995 259.844 1.00 0.00 C +ATOM 29 CA ASN A 29 279.715 325.335 256.443 1.00 0.00 C +ATOM 30 CA VAL A 30 280.928 325.160 252.836 1.00 0.00 C +ATOM 31 CA PRO A 31 283.985 325.726 250.633 1.00 0.00 C +ATOM 32 CA VAL A 32 287.582 326.297 251.751 1.00 0.00 C +ATOM 33 CA THR A 33 289.514 327.694 254.723 1.00 0.00 C +ATOM 34 CA LYS A 34 290.107 325.143 257.490 1.00 0.00 C +ATOM 35 CA GLY A 35 291.447 321.767 258.640 1.00 0.00 C +ATOM 36 CA GLY A 36 288.508 319.348 258.810 1.00 0.00 C +ATOM 37 CA LYS A 37 284.888 320.267 258.058 1.00 0.00 C +ATOM 38 CA ASN A 38 282.477 317.317 257.986 1.00 0.00 C +ATOM 39 CA ALA A 39 281.287 316.734 254.414 1.00 0.00 C +ATOM 40 CA LYS A 40 282.109 314.686 251.308 1.00 0.00 C +ATOM 41 CA ALA A 41 280.379 312.278 248.915 1.00 0.00 C +ATOM 42 CA SER A 42 277.649 309.638 248.618 1.00 0.00 C +ATOM 43 CA LYS A 43 275.212 307.429 246.695 1.00 0.00 C +ATOM 44 CA ALA A 44 275.120 308.512 243.043 1.00 0.00 C +ATOM 45 CA LYS A 45 274.774 312.140 241.934 1.00 0.00 C +ATOM 46 CA PRO A 46 274.874 312.728 238.171 1.00 0.00 C +ATOM 47 CA LYS A 47 272.812 315.791 237.231 1.00 0.00 C +ATOM 48 CA GLU A 48 273.777 319.123 235.655 1.00 0.00 C +ATOM 49 CA VAL A 49 277.006 318.610 233.700 1.00 0.00 C +ATOM 50 CA SER A 50 280.318 319.530 232.058 1.00 0.00 C +ATOM 51 CA GLU A 51 279.749 319.652 228.293 1.00 0.00 C +ATOM 52 CA SER A 52 280.188 320.324 224.568 1.00 0.00 C +ATOM 53 CA ASP A 53 282.574 318.175 222.517 1.00 0.00 C +ATOM 54 CA ASN A 54 285.367 316.325 220.702 1.00 0.00 C +ATOM 55 CA SER A 55 287.394 313.454 222.173 1.00 0.00 C +ATOM 56 CA GLY A 56 287.957 310.864 219.437 1.00 0.00 C +ATOM 57 CA SER A 57 290.142 309.888 216.472 1.00 0.00 C +ATOM 58 CA GLU A 58 289.806 306.287 215.274 1.00 0.00 C +ATOM 59 CA GLN A 59 289.637 303.556 217.925 1.00 0.00 C +ATOM 60 CA SER A 60 287.982 302.670 221.241 1.00 0.00 C +ATOM 61 CA GLU A 61 287.565 304.931 224.278 1.00 0.00 C +ATOM 62 CA GLU A 62 289.790 307.371 226.179 1.00 0.00 C +ATOM 63 CA SER A 63 291.682 309.191 228.940 1.00 0.00 C +ATOM 64 CA GLU A 64 292.179 312.161 231.275 1.00 0.00 C +ATOM 65 CA ASP A 65 295.229 311.975 233.551 1.00 0.00 C +ATOM 66 CA GLU A 66 297.472 314.726 234.937 1.00 0.00 C +ATOM 67 CA ALA A 67 300.107 316.708 236.845 1.00 0.00 C +ATOM 68 CA PRO A 68 303.877 316.451 236.354 1.00 0.00 C +ATOM 69 CA LYS A 69 307.335 317.415 237.630 1.00 0.00 C +ATOM 70 CA LYS A 70 308.500 316.165 241.035 1.00 0.00 C +ATOM 71 CA GLY A 71 310.287 312.806 240.833 1.00 0.00 C +ATOM 72 CA LYS A 72 311.998 310.059 242.843 1.00 0.00 C +ATOM 73 CA VAL A 73 312.599 308.077 246.041 1.00 0.00 C +ATOM 74 CA ASN A 74 311.710 310.158 249.106 1.00 0.00 C +ATOM 75 CA ALA A 75 309.784 312.200 251.682 1.00 0.00 C +ATOM 76 CA LYS A 76 308.063 309.819 254.108 1.00 0.00 C +ATOM 77 CA LYS A 77 305.074 308.447 256.031 1.00 0.00 C +ATOM 78 CA ALA A 78 304.996 304.689 255.407 1.00 0.00 C +ATOM 79 CA PRO A 79 304.128 300.980 255.395 1.00 0.00 C +ATOM 80 CA ALA A 80 300.559 300.348 254.218 1.00 0.00 C +ATOM 81 CA LYS A 81 297.968 299.979 256.986 1.00 0.00 C +ATOM 82 CA LYS A 82 296.482 296.511 256.456 1.00 0.00 C +ATOM 83 CA ALA A 83 293.935 294.268 254.724 1.00 0.00 C +ATOM 84 CA PRO A 84 295.400 292.807 251.524 1.00 0.00 C +ATOM 85 CA VAL A 85 293.393 289.856 250.190 1.00 0.00 C +ATOM 86 CA LYS A 86 291.594 286.552 249.588 1.00 0.00 C +ATOM 87 CA LYS A 87 289.022 283.850 250.363 1.00 0.00 C +ATOM 88 CA GLY A 88 285.483 282.655 249.615 1.00 0.00 C +ATOM 89 CA LYS A 89 283.354 283.793 252.563 1.00 0.00 C +ATOM 90 CA GLN A 90 281.646 282.497 255.713 1.00 0.00 C +ATOM 91 CA ASP A 91 280.817 284.972 258.488 1.00 0.00 C +ATOM 92 CA SER A 92 281.871 288.425 259.704 1.00 0.00 C +ATOM 93 CA ASP A 93 282.260 292.215 259.707 1.00 0.00 C +ATOM 94 CA SER A 94 280.221 295.162 258.415 1.00 0.00 C +ATOM 95 CA ASP A 95 277.456 296.945 256.493 1.00 0.00 C +ATOM 96 CA ASN A 96 274.943 299.651 255.557 1.00 0.00 C +ATOM 97 CA GLU A 97 275.892 302.582 253.315 1.00 0.00 C +ATOM 98 CA GLU A 98 278.657 302.588 250.694 1.00 0.00 C +ATOM 99 CA ASP A 99 280.634 303.705 247.634 1.00 0.00 C +ATOM 100 CA GLU A 100 284.260 302.738 246.980 1.00 0.00 C +ATOM 101 CA ALA A 101 287.696 301.805 245.622 1.00 0.00 C +ATOM 102 CA SER A 102 291.163 300.869 244.350 1.00 0.00 C +ATOM 103 CA GLU A 103 293.436 299.546 241.594 1.00 0.00 C +ATOM 104 CA ASP A 104 295.827 297.175 243.376 1.00 0.00 C +ATOM 105 CA GLY A 105 296.325 293.591 244.569 1.00 0.00 C +ATOM 106 CA SER A 106 298.051 290.819 242.605 1.00 0.00 C +ATOM 107 CA ASP A 107 295.650 290.049 239.748 1.00 0.00 C +ATOM 108 CA ASP A 108 292.002 289.129 240.345 1.00 0.00 C +ATOM 109 CA GLU A 109 288.929 287.385 241.770 1.00 0.00 C +ATOM 110 CA GLU A 110 286.948 285.073 239.479 1.00 0.00 C +ATOM 111 CA ASP A 111 288.996 282.854 237.156 1.00 0.00 C +ATOM 112 CA VAL A 112 289.776 279.317 235.972 1.00 0.00 C +ATOM 113 CA VAL A 113 290.337 276.508 238.483 1.00 0.00 C +ATOM 114 CA SER A 114 289.679 272.836 237.710 1.00 0.00 C +ATOM 115 CA ALA A 115 291.393 269.659 238.931 1.00 0.00 C +ATOM 116 CA ASP A 116 294.407 267.834 240.379 1.00 0.00 C +ATOM 117 CA ASP A 117 296.568 266.796 243.340 1.00 0.00 C +ATOM 118 CA SER A 118 298.000 264.340 245.877 1.00 0.00 C +ATOM 119 CA ASP A 119 299.044 262.953 249.268 1.00 0.00 C +ATOM 120 CA SER A 120 302.537 261.689 250.112 1.00 0.00 C +ATOM 121 CA ASP A 121 303.156 260.980 253.804 1.00 0.00 C +ATOM 122 CA GLU A 122 301.816 262.124 257.182 1.00 0.00 C +ATOM 123 CA ALA A 123 299.207 264.460 258.683 1.00 0.00 C +ATOM 124 CA PRO A 124 298.027 267.739 257.143 1.00 0.00 C +ATOM 125 CA LYS A 125 295.756 270.527 255.884 1.00 0.00 C +ATOM 126 CA GLY A 126 297.003 273.105 253.371 1.00 0.00 C +ATOM 127 CA LYS A 127 295.044 275.814 251.543 1.00 0.00 C +ATOM 128 CA ALA A 128 291.461 276.882 252.273 1.00 0.00 C +ATOM 129 CA ALA A 129 288.406 277.628 254.425 1.00 0.00 C +ATOM 130 CA LYS A 130 285.087 275.890 253.731 1.00 0.00 C +ATOM 131 CA LYS A 131 283.278 273.253 251.659 1.00 0.00 C +ATOM 132 CA ALA A 132 284.571 270.529 249.331 1.00 0.00 C +ATOM 133 CA PRO A 133 287.723 268.808 248.058 1.00 0.00 C +ATOM 134 CA ALA A 134 291.046 267.155 248.916 1.00 0.00 C +ATOM 135 CA LYS A 135 292.271 263.555 248.673 1.00 0.00 C +ATOM 136 CA LYS A 136 290.611 260.146 248.301 1.00 0.00 C +ATOM 137 CA ALA A 137 288.641 259.946 245.046 1.00 0.00 C +ATOM 138 CA PRO A 138 286.204 258.334 242.601 1.00 0.00 C +ATOM 139 CA ALA A 139 286.601 254.579 242.093 1.00 0.00 C +ATOM 140 CA LYS A 140 285.860 253.042 238.686 1.00 0.00 C +ATOM 141 CA LYS A 141 284.574 249.605 237.662 1.00 0.00 C +ATOM 142 CA ALA A 142 281.201 249.264 239.402 1.00 0.00 C +ATOM 143 CA PRO A 143 278.193 248.944 241.718 1.00 0.00 C +ATOM 144 CA ALA A 144 275.938 245.885 241.984 1.00 0.00 C +ATOM 145 CA LYS A 145 275.114 242.277 241.078 1.00 0.00 C +ATOM 146 CA LYS A 146 272.700 240.169 239.017 1.00 0.00 C +ATOM 147 CA ALA A 147 270.030 238.033 237.336 1.00 0.00 C +ATOM 148 CA PRO A 148 268.350 236.744 234.169 1.00 0.00 C +ATOM 149 CA ALA A 149 265.845 233.877 234.331 1.00 0.00 C +ATOM 150 CA LYS A 150 262.722 232.307 232.816 1.00 0.00 C +ATOM 151 CA LYS A 151 260.363 229.335 233.164 1.00 0.00 C +ATOM 152 CA GLY A 152 257.700 226.930 234.445 1.00 0.00 C +ATOM 153 CA LYS A 153 258.887 223.313 234.596 1.00 0.00 C +ATOM 154 CA ALA A 154 260.031 219.785 235.469 1.00 0.00 C +ATOM 155 CA LYS A 155 261.718 219.908 238.883 1.00 0.00 C +ATOM 156 CA ASP A 156 261.615 223.027 241.070 1.00 0.00 C +ATOM 157 CA GLU A 157 262.702 226.323 242.640 1.00 0.00 C +ATOM 158 CA ASP A 158 260.090 228.428 244.448 1.00 0.00 C +ATOM 159 CA ASP A 159 257.263 230.019 246.445 1.00 0.00 C +ATOM 160 CA GLU A 160 255.231 231.969 243.879 1.00 0.00 C +ATOM 161 CA SER A 161 256.033 235.466 242.594 1.00 0.00 C +ATOM 162 CA GLU A 162 255.021 239.032 243.473 1.00 0.00 C +ATOM 163 CA ASP A 163 253.174 239.723 246.733 1.00 0.00 C +ATOM 164 CA GLU A 164 251.774 240.505 250.189 1.00 0.00 C +ATOM 165 CA ALA A 165 249.080 239.270 252.584 1.00 0.00 C +ATOM 166 CA PRO A 166 247.693 240.256 255.993 1.00 0.00 C +ATOM 167 CA LYS A 167 243.936 240.323 256.621 1.00 0.00 C +ATOM 168 CA LYS A 168 242.273 242.003 259.609 1.00 0.00 C +ATOM 169 CA GLY A 169 239.174 244.075 258.824 1.00 0.00 C +ATOM 170 CA LYS A 170 237.742 244.716 255.353 1.00 0.00 C +ATOM 171 CA GLY A 171 240.316 246.287 253.024 1.00 0.00 C +ATOM 172 CA LYS A 172 240.345 245.364 249.328 1.00 0.00 C +ATOM 173 CA GLY A 173 239.177 246.958 246.070 1.00 0.00 C +ATOM 174 CA LYS A 174 240.211 250.601 245.651 1.00 0.00 C +ATOM 175 CA ALA A 175 240.665 253.089 248.501 1.00 0.00 C +ATOM 176 CA THR A 176 238.261 255.395 250.351 1.00 0.00 C +ATOM 177 CA LYS A 177 234.948 255.060 252.201 1.00 0.00 C +ATOM 178 CA LYS A 178 231.396 254.295 253.349 1.00 0.00 C +ATOM 179 CA ASP A 179 229.257 253.286 250.362 1.00 0.00 C +ATOM 180 CA GLY A 180 225.487 252.824 250.662 1.00 0.00 C +ATOM 181 CA ASP A 181 222.992 250.496 252.356 1.00 0.00 C +ATOM 182 CA LYS A 182 224.562 247.033 252.604 1.00 0.00 C +ATOM 183 CA PRO A 183 222.074 244.647 254.226 1.00 0.00 C +ATOM 184 CA LYS A 184 220.554 241.351 255.384 1.00 0.00 C +ATOM 185 CA LYS A 185 220.064 240.415 259.044 1.00 0.00 C +ATOM 186 CA PRO A 186 220.142 237.131 260.974 1.00 0.00 C +ATOM 187 CA LEU A 187 220.471 233.553 259.705 1.00 0.00 C +ATOM 188 CA SER A 188 218.179 230.850 258.307 1.00 0.00 C +ATOM 189 CA ASP A 189 217.542 230.505 254.566 1.00 0.00 C +ATOM 190 CA TYR A 190 219.208 229.290 251.362 1.00 0.00 C +ATOM 191 CA GLN A 191 220.470 225.969 249.985 1.00 0.00 C +ATOM 192 CA LYS A 192 221.583 223.905 252.987 1.00 0.00 C +ATOM 193 CA PHE A 193 222.008 220.473 254.585 1.00 0.00 C +ATOM 194 CA LEU A 194 221.078 217.543 252.334 1.00 0.00 C +ATOM 195 CA SER A 195 218.257 216.040 250.261 1.00 0.00 C +ATOM 196 CA LYS A 196 216.771 212.748 251.473 1.00 0.00 C +ATOM 197 CA ARG A 197 219.118 209.926 252.497 1.00 0.00 C +ATOM 198 CA MET A 198 222.909 210.279 252.350 1.00 0.00 C +ATOM 199 CA PRO A 199 225.661 208.485 250.421 1.00 0.00 C +ATOM 200 CA GLU A 200 228.895 206.514 250.838 1.00 0.00 C +ATOM 201 CA LEU A 201 228.108 203.132 252.407 1.00 0.00 C +ATOM 202 CA ARG A 202 227.700 199.420 253.161 1.00 0.00 C +ATOM 203 CA GLU A 203 226.321 196.001 254.121 1.00 0.00 C +ATOM 204 CA GLU A 204 228.531 194.408 256.784 1.00 0.00 C +ATOM 205 CA GLU A 205 228.388 195.702 260.365 1.00 0.00 C +ATOM 206 CA PRO A 206 226.343 198.915 260.268 1.00 0.00 C +ATOM 207 CA GLY A 207 222.668 199.867 259.949 1.00 0.00 C +ATOM 208 CA LYS A 208 220.538 197.211 261.660 1.00 0.00 C +ATOM 209 CA PRO A 209 217.610 194.789 261.374 1.00 0.00 C +ATOM 210 CA TYR A 210 217.061 192.061 263.976 1.00 0.00 C +ATOM 211 CA LYS A 211 215.451 189.777 266.566 1.00 0.00 C +ATOM 212 CA GLU A 212 213.356 186.861 265.291 1.00 0.00 C +ATOM 213 CA TYR A 213 210.399 186.159 262.993 1.00 0.00 C +ATOM 214 CA MET A 214 209.316 184.229 259.892 1.00 0.00 C +ATOM 215 CA LYS A 215 208.392 180.636 260.756 1.00 0.00 C +ATOM 216 CA MET A 216 205.492 179.175 258.763 1.00 0.00 C +ATOM 217 CA ALA A 217 204.741 175.879 257.007 1.00 0.00 C +ATOM 218 CA GLY A 218 205.327 173.006 259.441 1.00 0.00 C +ATOM 219 CA ALA A 219 205.444 169.240 260.006 1.00 0.00 C +ATOM 220 CA GLU A 220 202.859 166.489 260.519 1.00 0.00 C +ATOM 221 CA TRP A 221 200.053 164.607 262.279 1.00 0.00 C +ATOM 222 CA THR A 222 196.757 165.592 260.640 1.00 0.00 C +ATOM 223 CA GLU A 223 194.803 164.319 257.627 1.00 0.00 C +ATOM 224 CA GLN A 224 193.832 161.310 255.503 1.00 0.00 C +ATOM 225 CA ASN A 225 195.955 161.474 252.343 1.00 0.00 C +ATOM 226 CA GLY A 226 199.052 161.618 250.128 1.00 0.00 C +ATOM 227 CA GLY A 227 199.798 162.031 246.415 1.00 0.00 C +ATOM 228 CA THR A 228 202.816 163.573 244.674 1.00 0.00 C +ATOM 229 CA LYS A 229 204.528 165.595 241.935 1.00 0.00 C +ATOM 230 CA LYS A 230 207.523 167.163 240.179 1.00 0.00 C +ATOM 231 CA LYS A 231 206.095 168.697 236.996 1.00 0.00 C +ATOM 232 CA PRO A 232 202.389 167.841 236.781 1.00 0.00 C +ATOM 233 CA ALA A 233 200.084 165.453 234.909 1.00 0.00 C +ATOM 234 CA ALA A 234 200.318 165.135 231.119 1.00 0.00 C +ATOM 235 CA LYS A 235 198.206 164.935 227.955 1.00 0.00 C +ATOM 236 CA SER A 236 194.965 166.838 228.582 1.00 0.00 C +ATOM 237 CA GLY A 237 191.481 167.640 229.897 1.00 0.00 C +ATOM 238 CA SER A 238 190.692 168.137 233.591 1.00 0.00 C +ATOM 239 CA LYS A 239 192.529 170.079 236.306 1.00 0.00 C +ATOM 240 CA THR A 240 191.160 172.969 238.377 1.00 0.00 C +ATOM 241 CA ALA A 241 191.493 175.601 241.112 1.00 0.00 C +ATOM 242 CA LYS A 242 193.629 178.479 239.820 1.00 0.00 C +ATOM 243 CA LYS A 243 192.564 181.959 238.692 1.00 0.00 C +ATOM 244 CA ALA A 244 189.226 183.749 239.098 1.00 0.00 C +ATOM 245 CA PRO A 245 185.459 183.658 238.530 1.00 0.00 C +ATOM 246 CA ALA A 246 181.953 184.379 237.225 1.00 0.00 C +ATOM 247 CA LYS A 247 178.822 182.241 236.844 1.00 0.00 C +ATOM 248 CA GLY A 248 177.910 179.997 233.903 1.00 0.00 C +ATOM 249 CA GLY A 249 178.351 176.327 234.828 1.00 0.00 C +ATOM 250 CA SER A 250 180.420 173.228 235.621 1.00 0.00 C +ATOM 251 CA LYS A 251 179.898 172.313 239.282 1.00 0.00 C +ATOM 252 CA SER A 252 177.725 174.121 241.837 1.00 0.00 C +ATOM 253 CA THR A 253 175.408 173.124 244.692 1.00 0.00 C +ATOM 254 CA ALA A 254 173.350 176.121 245.831 1.00 0.00 C +ATOM 255 CA LYS A 255 175.184 178.549 248.123 1.00 0.00 C +ATOM 256 CA LYS A 256 174.879 181.222 250.821 1.00 0.00 C +ATOM 257 CA ALA A 257 173.792 184.848 251.259 1.00 0.00 C +ATOM 258 CA PRO A 258 170.010 185.180 250.946 1.00 0.00 C +ATOM 259 CA ALA A 259 167.941 182.680 252.943 1.00 0.00 C +ATOM 260 CA LYS A 260 166.659 179.114 253.338 1.00 0.00 C +ATOM 261 CA LYS A 261 164.570 179.120 256.525 1.00 0.00 C +ATOM 262 CA ALA A 262 164.444 180.652 260.011 1.00 0.00 C +ATOM 263 CA PRO A 263 166.353 183.612 261.463 1.00 0.00 C +ATOM 264 CA ALA A 264 167.457 185.216 264.738 1.00 0.00 C +ATOM 265 CA LYS A 265 171.260 184.984 264.792 1.00 0.00 C +ATOM 266 CA LYS A 266 174.409 183.505 263.239 1.00 0.00 C +ATOM 267 CA ALA A 267 178.095 184.337 262.755 1.00 0.00 C +ATOM 268 CA PRO A 268 179.016 184.180 259.062 1.00 0.00 C +ATOM 269 CA ALA A 269 175.872 184.187 256.909 1.00 0.00 C +ATOM 270 CA LYS A 270 172.202 184.887 257.656 1.00 0.00 C +ATOM 271 CA LYS A 271 171.891 188.501 258.821 1.00 0.00 C +ATOM 272 CA SER A 272 171.507 191.520 261.114 1.00 0.00 C +ATOM 273 CA LYS A 273 171.168 191.566 264.909 1.00 0.00 C +ATOM 274 CA LYS A 274 172.221 191.520 268.570 1.00 0.00 C +ATOM 275 CA GLU A 275 175.017 191.243 271.144 1.00 0.00 C +ATOM 276 CA ALA A 276 176.473 190.333 274.545 1.00 0.00 C +ATOM 277 CA SER A 277 175.587 187.550 276.991 1.00 0.00 C +ATOM 278 CA ASP A 278 176.522 184.306 278.757 1.00 0.00 C +ATOM 279 CA GLU A 279 178.860 181.773 277.134 1.00 0.00 C +ATOM 280 CA GLU A 280 181.677 182.342 274.634 1.00 0.00 C +ATOM 281 CA SER A 281 183.361 180.085 272.066 1.00 0.00 C +ATOM 282 CA ASP A 282 183.755 176.305 271.804 1.00 0.00 C +TER 283 ASP A 282 +END diff --git a/Viruses/Q5UTC0/Q5UTC0.dcd b/Viruses/Q5UTC0/Q5UTC0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..ac1ef035e23164b47d9aa7ef53ba9a914d58b14b --- /dev/null +++ b/Viruses/Q5UTC0/Q5UTC0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bfda395804ecec14e7a110c87808b1cd7decfc08fcb9e0e5014f5e28d8598e52 +size 7160276 diff --git a/Viruses/Q5UTC0/top.pdb b/Viruses/Q5UTC0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8788e2155899b1aa5fe0f9c3c5d39330160fefc2 --- /dev/null +++ b/Viruses/Q5UTC0/top.pdb @@ -0,0 +1,57 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA PRO A 1 269.424 260.753 221.148 1.00 0.00 C +ATOM 2 CA GLN A 2 267.459 261.572 224.308 1.00 0.00 C +ATOM 3 CA SER A 3 267.597 263.925 227.301 1.00 0.00 C +ATOM 4 CA ARG A 4 269.127 262.289 230.383 1.00 0.00 C +ATOM 5 CA PRO A 5 270.555 259.962 233.041 1.00 0.00 C +ATOM 6 CA GLU A 6 269.052 257.123 235.089 1.00 0.00 C +ATOM 7 CA PRO A 7 266.451 254.525 234.090 1.00 0.00 C +ATOM 8 CA THR A 8 266.270 251.125 232.380 1.00 0.00 C +ATOM 9 CA ALA A 9 265.967 248.148 230.021 1.00 0.00 C +ATOM 10 CA PRO A 10 266.663 246.103 226.883 1.00 0.00 C +ATOM 11 CA PRO A 11 268.498 242.765 226.792 1.00 0.00 C +ATOM 12 CA ALA A 12 267.297 239.149 226.818 1.00 0.00 C +ATOM 13 CA GLU A 13 266.454 237.030 229.869 1.00 0.00 C +ATOM 14 CA MET A 14 269.809 236.562 231.614 1.00 0.00 C +ATOM 15 CA LEU A 15 270.069 237.209 235.360 1.00 0.00 C +ATOM 16 CA LEU A 16 271.796 239.199 238.112 1.00 0.00 C +ATOM 17 CA GLY A 17 270.429 238.236 241.535 1.00 0.00 C +ATOM 18 CA MET A 18 268.323 235.062 241.630 1.00 0.00 C +ATOM 19 CA GLY A 19 264.979 234.343 243.308 1.00 0.00 C +ATOM 20 CA GLU A 20 262.231 236.945 243.742 1.00 0.00 C +ATOM 21 CA GLU A 21 261.520 240.650 243.209 1.00 0.00 C +ATOM 22 CA ILE A 22 257.880 241.662 243.701 1.00 0.00 C +ATOM 23 CA THR A 23 255.972 240.119 246.616 1.00 0.00 C +ATOM 24 CA SER A 24 252.409 238.770 246.623 1.00 0.00 C +ATOM 25 CA PRO A 25 249.189 236.956 247.550 1.00 0.00 C +ATOM 26 CA PRO A 26 247.799 234.123 249.685 1.00 0.00 C +ATOM 27 CA LYS A 27 248.227 234.675 253.431 1.00 0.00 C +ATOM 28 CA LYS A 28 246.137 233.245 256.277 1.00 0.00 C +ATOM 29 CA GLU A 29 243.567 233.063 259.084 1.00 0.00 C +ATOM 30 CA PRO A 30 240.187 234.605 258.242 1.00 0.00 C +ATOM 31 CA LYS A 31 237.850 234.252 261.230 1.00 0.00 C +ATOM 32 CA ASP A 32 234.632 232.941 262.794 1.00 0.00 C +ATOM 33 CA ARG A 33 231.862 235.439 263.572 1.00 0.00 C +ATOM 34 CA GLU A 34 231.006 238.982 264.680 1.00 0.00 C +ATOM 35 CA GLN A 35 230.426 241.851 267.119 1.00 0.00 C +ATOM 36 CA PRO A 36 229.683 244.423 269.830 1.00 0.00 C +ATOM 37 CA LEU A 37 230.520 245.466 273.397 1.00 0.00 C +ATOM 38 CA PRO A 38 233.358 247.772 274.469 1.00 0.00 C +ATOM 39 CA SER A 39 232.953 251.433 273.497 1.00 0.00 C +ATOM 40 CA VAL A 40 234.165 254.650 271.855 1.00 0.00 C +ATOM 41 CA SER A 41 232.821 257.788 270.162 1.00 0.00 C +ATOM 42 CA LEU A 42 231.731 256.709 266.674 1.00 0.00 C +ATOM 43 CA LYS A 43 230.770 258.427 263.412 1.00 0.00 C +ATOM 44 CA SER A 44 232.674 260.822 261.142 1.00 0.00 C +ATOM 45 CA LEU A 45 231.907 264.450 262.019 1.00 0.00 C +ATOM 46 CA PHE A 46 233.539 267.888 261.843 1.00 0.00 C +ATOM 47 CA GLY A 47 236.300 270.250 262.989 1.00 0.00 C +ATOM 48 CA ASN A 48 234.887 273.742 263.558 1.00 0.00 C +ATOM 49 CA ASP A 49 235.973 276.644 261.341 1.00 0.00 C +ATOM 50 CA PRO A 50 239.175 278.108 259.886 1.00 0.00 C +ATOM 51 CA LEU A 51 239.942 281.317 261.791 1.00 0.00 C +ATOM 52 CA LEU A 52 241.665 283.618 259.290 1.00 0.00 C +ATOM 53 CA GLN A 53 240.822 283.135 255.606 1.00 0.00 C +TER 54 GLN A 53 +END diff --git a/Viruses/Q5UTC9/Q5UTC9.dcd b/Viruses/Q5UTC9/Q5UTC9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8681cab03594a50f31ba4895c02f2923ba16bdf9 --- /dev/null +++ b/Viruses/Q5UTC9/Q5UTC9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:68a771a8b38d2e59eddb399b10fcd439e8292c8f5d5c44c34e908f6930669f0b +size 6680276 diff --git a/Viruses/Q5UTC9/top.pdb b/Viruses/Q5UTC9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b809d1aa932f4a49dc42cc3610edf005917d6e6e --- /dev/null +++ b/Viruses/Q5UTC9/top.pdb @@ -0,0 +1,53 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA PRO A 1 255.872 241.723 225.385 1.00 0.00 C +ATOM 2 CA GLN A 2 252.897 242.210 227.715 1.00 0.00 C +ATOM 3 CA SER A 3 249.775 240.047 228.009 1.00 0.00 C +ATOM 4 CA ARG A 4 248.563 240.652 231.570 1.00 0.00 C +ATOM 5 CA PRO A 5 248.211 242.851 234.661 1.00 0.00 C +ATOM 6 CA GLU A 6 245.284 243.466 237.021 1.00 0.00 C +ATOM 7 CA PRO A 7 242.729 245.400 239.082 1.00 0.00 C +ATOM 8 CA THR A 8 241.326 248.932 238.806 1.00 0.00 C +ATOM 9 CA ALA A 9 238.167 249.018 240.934 1.00 0.00 C +ATOM 10 CA PRO A 10 236.533 245.577 240.848 1.00 0.00 C +ATOM 11 CA PRO A 11 236.991 243.857 237.479 1.00 0.00 C +ATOM 12 CA ALA A 12 237.119 242.772 233.829 1.00 0.00 C +ATOM 13 CA GLU A 13 234.907 243.192 230.755 1.00 0.00 C +ATOM 14 CA SER A 14 231.925 244.832 229.043 1.00 0.00 C +ATOM 15 CA LEU A 15 232.207 247.710 226.562 1.00 0.00 C +ATOM 16 CA GLY A 16 234.770 250.063 225.011 1.00 0.00 C +ATOM 17 CA MET A 17 236.063 253.305 226.538 1.00 0.00 C +ATOM 18 CA GLY A 18 233.695 255.674 228.353 1.00 0.00 C +ATOM 19 CA GLU A 19 234.124 255.170 232.105 1.00 0.00 C +ATOM 20 CA GLU A 20 235.309 254.313 235.623 1.00 0.00 C +ATOM 21 CA ILE A 21 239.009 254.367 236.532 1.00 0.00 C +ATOM 22 CA THR A 22 241.068 257.264 237.904 1.00 0.00 C +ATOM 23 CA SER A 23 242.818 258.679 240.978 1.00 0.00 C +ATOM 24 CA PRO A 24 245.718 260.929 239.956 1.00 0.00 C +ATOM 25 CA PRO A 25 249.248 260.813 238.526 1.00 0.00 C +ATOM 26 CA LYS A 26 251.270 258.960 241.171 1.00 0.00 C +ATOM 27 CA GLN A 27 253.605 257.335 243.706 1.00 0.00 C +ATOM 28 CA GLU A 28 254.993 258.766 246.952 1.00 0.00 C +ATOM 29 CA ALA A 29 255.609 257.124 250.335 1.00 0.00 C +ATOM 30 CA ARG A 30 257.223 259.320 252.996 1.00 0.00 C +ATOM 31 CA ASP A 31 258.237 257.799 256.339 1.00 0.00 C +ATOM 32 CA GLN A 32 261.015 256.726 258.716 1.00 0.00 C +ATOM 33 CA GLY A 33 262.157 255.923 262.261 1.00 0.00 C +ATOM 34 CA LEU A 34 264.466 253.940 264.553 1.00 0.00 C +ATOM 35 CA TYR A 35 265.819 250.425 265.128 1.00 0.00 C +ATOM 36 CA PRO A 36 267.122 247.473 263.102 1.00 0.00 C +ATOM 37 CA PRO A 37 266.339 244.409 265.226 1.00 0.00 C +ATOM 38 CA LEU A 38 267.255 241.416 267.398 1.00 0.00 C +ATOM 39 CA ALA A 39 268.086 240.347 270.960 1.00 0.00 C +ATOM 40 CA SER A 40 265.377 240.559 273.630 1.00 0.00 C +ATOM 41 CA LEU A 41 265.084 242.223 277.046 1.00 0.00 C +ATOM 42 CA LYS A 42 263.985 244.861 279.565 1.00 0.00 C +ATOM 43 CA SER A 43 262.177 248.185 280.011 1.00 0.00 C +ATOM 44 CA LEU A 44 258.438 247.493 280.248 1.00 0.00 C +ATOM 45 CA PHE A 45 254.657 247.841 279.931 1.00 0.00 C +ATOM 46 CA GLY A 46 251.858 250.255 279.009 1.00 0.00 C +ATOM 47 CA ASN A 47 252.525 253.362 281.111 1.00 0.00 C +ATOM 48 CA ASP A 48 251.061 255.919 283.527 1.00 0.00 C +ATOM 49 CA PRO A 49 247.313 256.525 283.852 1.00 0.00 C +TER 50 PRO A 49 +END diff --git a/Viruses/Q5UTE2/Q5UTE2.dcd b/Viruses/Q5UTE2/Q5UTE2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..152aef188645663336a7ca1b7d4ddad943a1a234 --- /dev/null +++ b/Viruses/Q5UTE2/Q5UTE2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c75ae606e253c257cacbeb6e44b7b4f87250900e30dea5d0fb81bd72575633b3 +size 7040276 diff --git a/Viruses/Q5UTE2/top.pdb b/Viruses/Q5UTE2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..da78034fd6cf2fc2bcad9f15f6882130ecb65b7e --- /dev/null +++ b/Viruses/Q5UTE2/top.pdb @@ -0,0 +1,56 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA PRO A 1 256.351 242.419 259.327 1.00 0.00 C +ATOM 2 CA GLN A 2 258.091 241.768 262.653 1.00 0.00 C +ATOM 3 CA SER A 3 259.800 240.993 265.969 1.00 0.00 C +ATOM 4 CA ARG A 4 259.589 238.034 268.360 1.00 0.00 C +ATOM 5 CA PRO A 5 260.708 238.507 271.971 1.00 0.00 C +ATOM 6 CA GLU A 6 258.087 238.366 274.733 1.00 0.00 C +ATOM 7 CA PRO A 7 256.636 241.876 275.035 1.00 0.00 C +ATOM 8 CA THR A 8 257.319 244.237 272.123 1.00 0.00 C +ATOM 9 CA ALA A 9 255.316 246.876 270.242 1.00 0.00 C +ATOM 10 CA PRO A 10 252.294 248.852 269.025 1.00 0.00 C +ATOM 11 CA PRO A 11 250.928 249.259 265.492 1.00 0.00 C +ATOM 12 CA ALA A 12 249.289 248.342 262.177 1.00 0.00 C +ATOM 13 CA GLU A 13 249.738 248.434 258.395 1.00 0.00 C +ATOM 14 CA ILE A 14 248.821 247.565 254.800 1.00 0.00 C +ATOM 15 CA PHE A 15 250.235 249.852 252.101 1.00 0.00 C +ATOM 16 CA GLY A 16 253.663 251.184 253.099 1.00 0.00 C +ATOM 17 CA MET A 17 256.085 248.611 254.525 1.00 0.00 C +ATOM 18 CA ARG A 18 258.028 245.478 253.563 1.00 0.00 C +ATOM 19 CA GLU A 19 259.087 245.847 249.922 1.00 0.00 C +ATOM 20 CA GLU A 20 259.973 242.311 248.815 1.00 0.00 C +ATOM 21 CA ILE A 21 260.830 239.702 246.174 1.00 0.00 C +ATOM 22 CA ALA A 22 264.490 240.208 245.246 1.00 0.00 C +ATOM 23 CA PRO A 23 264.881 239.589 241.506 1.00 0.00 C +ATOM 24 CA PRO A 24 261.462 239.845 239.844 1.00 0.00 C +ATOM 25 CA PRO A 25 257.736 239.655 240.616 1.00 0.00 C +ATOM 26 CA LYS A 26 254.527 239.834 238.570 1.00 0.00 C +ATOM 27 CA GLN A 27 251.777 241.356 236.416 1.00 0.00 C +ATOM 28 CA GLU A 28 250.217 243.836 233.981 1.00 0.00 C +ATOM 29 CA GLN A 29 248.221 246.999 234.708 1.00 0.00 C +ATOM 30 CA ASN A 30 247.443 248.794 237.977 1.00 0.00 C +ATOM 31 CA ASP A 31 244.382 249.114 240.222 1.00 0.00 C +ATOM 32 CA ARG A 32 242.791 252.546 240.671 1.00 0.00 C +ATOM 33 CA ASP A 33 244.896 255.442 239.367 1.00 0.00 C +ATOM 34 CA GLN A 34 245.905 258.153 241.846 1.00 0.00 C +ATOM 35 CA ASN A 35 247.511 261.075 240.001 1.00 0.00 C +ATOM 36 CA PRO A 36 247.115 260.535 236.251 1.00 0.00 C +ATOM 37 CA PRO A 37 246.389 260.377 232.514 1.00 0.00 C +ATOM 38 CA SER A 38 243.975 258.120 230.618 1.00 0.00 C +ATOM 39 CA VAL A 39 241.102 255.660 230.154 1.00 0.00 C +ATOM 40 CA SER A 40 237.576 256.790 231.050 1.00 0.00 C +ATOM 41 CA LEU A 41 236.695 259.792 233.225 1.00 0.00 C +ATOM 42 CA LYS A 42 239.318 260.529 235.888 1.00 0.00 C +ATOM 43 CA SER A 43 238.007 259.548 239.328 1.00 0.00 C +ATOM 44 CA LEU A 44 239.430 259.950 242.839 1.00 0.00 C +ATOM 45 CA PHE A 45 241.979 260.805 245.540 1.00 0.00 C +ATOM 46 CA GLY A 46 243.378 263.051 248.280 1.00 0.00 C +ATOM 47 CA ASN A 47 243.416 262.025 251.950 1.00 0.00 C +ATOM 48 CA ASP A 48 242.420 262.599 255.582 1.00 0.00 C +ATOM 49 CA LEU A 49 242.189 260.392 258.679 1.00 0.00 C +ATOM 50 CA LEU A 50 241.222 257.038 260.207 1.00 0.00 C +ATOM 51 CA SER A 51 239.802 255.590 263.432 1.00 0.00 C +ATOM 52 CA GLN A 52 238.880 252.240 264.996 1.00 0.00 C +TER 53 GLN A 52 +END diff --git a/Viruses/Q5UTE6/Q5UTE6.dcd b/Viruses/Q5UTE6/Q5UTE6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..7b28c5b36751c82ca22856a5ab81125e04006e28 --- /dev/null +++ b/Viruses/Q5UTE6/Q5UTE6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:014950041bf0b020318dc0de88d86576c4fd7b23fc065591ae4665d023a439e3 +size 6920276 diff --git a/Viruses/Q5UTE6/top.pdb b/Viruses/Q5UTE6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..20e539e92aacf5b46e2fced04b6b50e95cd552f6 --- /dev/null +++ b/Viruses/Q5UTE6/top.pdb @@ -0,0 +1,55 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LEU A 1 286.906 254.315 232.633 1.00 0.00 C +ATOM 2 CA GLN A 2 285.406 254.859 236.093 1.00 0.00 C +ATOM 3 CA SER A 3 284.597 253.137 239.394 1.00 0.00 C +ATOM 4 CA ARG A 4 281.724 253.459 241.876 1.00 0.00 C +ATOM 5 CA PRO A 5 278.418 252.239 243.326 1.00 0.00 C +ATOM 6 CA GLU A 6 275.453 250.694 245.152 1.00 0.00 C +ATOM 7 CA PRO A 7 272.704 249.208 247.332 1.00 0.00 C +ATOM 8 CA THR A 8 270.283 246.303 246.870 1.00 0.00 C +ATOM 9 CA ALA A 9 269.412 244.864 250.289 1.00 0.00 C +ATOM 10 CA PRO A 10 267.373 241.703 249.683 1.00 0.00 C +ATOM 11 CA PRO A 11 267.000 238.137 250.970 1.00 0.00 C +ATOM 12 CA ALA A 12 264.443 235.350 251.432 1.00 0.00 C +ATOM 13 CA GLU A 13 261.574 235.949 248.998 1.00 0.00 C +ATOM 14 CA SER A 14 261.197 238.735 246.426 1.00 0.00 C +ATOM 15 CA PHE A 15 259.423 240.104 243.344 1.00 0.00 C +ATOM 16 CA GLY A 16 257.089 243.108 243.140 1.00 0.00 C +ATOM 17 CA PHE A 17 255.232 244.366 246.220 1.00 0.00 C +ATOM 18 CA GLY A 18 252.982 245.926 248.869 1.00 0.00 C +ATOM 19 CA GLU A 19 250.026 248.265 249.425 1.00 0.00 C +ATOM 20 CA GLU A 20 249.612 251.506 251.385 1.00 0.00 C +ATOM 21 CA ILE A 21 248.286 254.917 250.324 1.00 0.00 C +ATOM 22 CA THR A 22 245.760 257.094 248.481 1.00 0.00 C +ATOM 23 CA PRO A 23 242.575 258.010 250.360 1.00 0.00 C +ATOM 24 CA SER A 24 242.154 255.669 253.336 1.00 0.00 C +ATOM 25 CA GLN A 25 242.332 255.857 257.138 1.00 0.00 C +ATOM 26 CA LYS A 26 245.142 254.187 259.095 1.00 0.00 C +ATOM 27 CA GLN A 27 248.522 252.679 259.999 1.00 0.00 C +ATOM 28 CA GLU A 28 250.597 249.484 260.062 1.00 0.00 C +ATOM 29 CA GLN A 29 249.842 246.422 262.200 1.00 0.00 C +ATOM 30 CA LYS A 30 250.150 242.689 261.503 1.00 0.00 C +ATOM 31 CA ASP A 31 247.883 240.330 259.550 1.00 0.00 C +ATOM 32 CA LYS A 32 245.318 237.662 260.455 1.00 0.00 C +ATOM 33 CA GLU A 33 241.964 239.342 261.122 1.00 0.00 C +ATOM 34 CA LEU A 34 238.927 238.690 263.328 1.00 0.00 C +ATOM 35 CA TYR A 35 237.285 241.589 265.175 1.00 0.00 C +ATOM 36 CA PRO A 36 235.106 244.298 263.615 1.00 0.00 C +ATOM 37 CA SER A 37 232.900 244.067 260.517 1.00 0.00 C +ATOM 38 CA ALA A 38 230.695 246.276 258.332 1.00 0.00 C +ATOM 39 CA ALA A 39 228.537 248.740 256.385 1.00 0.00 C +ATOM 40 CA LEU A 40 228.020 252.492 255.968 1.00 0.00 C +ATOM 41 CA LYS A 41 228.966 254.828 253.110 1.00 0.00 C +ATOM 42 CA SER A 42 230.394 257.674 251.019 1.00 0.00 C +ATOM 43 CA LEU A 43 233.660 258.321 249.165 1.00 0.00 C +ATOM 44 CA PHE A 44 235.724 261.516 249.366 1.00 0.00 C +ATOM 45 CA GLY A 45 238.351 261.893 246.632 1.00 0.00 C +ATOM 46 CA ASN A 46 237.087 260.662 243.255 1.00 0.00 C +ATOM 47 CA ASP A 47 234.869 258.858 240.736 1.00 0.00 C +ATOM 48 CA PRO A 48 232.762 261.170 238.562 1.00 0.00 C +ATOM 49 CA LEU A 49 232.944 263.815 235.826 1.00 0.00 C +ATOM 50 CA LEU A 50 231.292 265.413 232.787 1.00 0.00 C +ATOM 51 CA GLN A 51 231.100 263.131 229.741 1.00 0.00 C +TER 52 GLN A 51 +END diff --git a/Viruses/Q5Y0N1/Q5Y0N1.dcd b/Viruses/Q5Y0N1/Q5Y0N1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f25903784a11316e9ea435b45ff605a8c87722e3 --- /dev/null +++ b/Viruses/Q5Y0N1/Q5Y0N1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f4c1e6b0486deab8942efd0a935ba3cfe790edd7e018db63a0331a20d39375a5 +size 14600276 diff --git a/Viruses/Q5Y0N1/top.pdb b/Viruses/Q5Y0N1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..41c9bf2f0e09d4d36cebf40399a05f955b8c3d7e --- /dev/null +++ b/Viruses/Q5Y0N1/top.pdb @@ -0,0 +1,119 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 230.866 262.329 214.241 1.00 0.00 C +ATOM 2 CA ALA A 2 233.508 262.459 216.983 1.00 0.00 C +ATOM 3 CA SER A 3 236.556 263.183 219.152 1.00 0.00 C +ATOM 4 CA ALA A 4 239.006 260.766 220.788 1.00 0.00 C +ATOM 5 CA PRO A 5 242.285 258.851 220.485 1.00 0.00 C +ATOM 6 CA PRO A 6 245.073 258.323 223.028 1.00 0.00 C +ATOM 7 CA SER A 7 246.556 261.715 223.929 1.00 0.00 C +ATOM 8 CA PRO A 8 249.349 264.230 223.308 1.00 0.00 C +ATOM 9 CA ARG A 9 247.872 267.738 223.483 1.00 0.00 C +ATOM 10 CA PRO A 10 249.528 269.783 226.239 1.00 0.00 C +ATOM 11 CA ARG A 11 250.681 273.295 225.316 1.00 0.00 C +ATOM 12 CA GLY A 12 254.252 274.522 224.807 1.00 0.00 C +ATOM 13 CA PRO A 13 257.906 273.883 223.938 1.00 0.00 C +ATOM 14 CA ALA A 14 260.895 272.289 222.193 1.00 0.00 C +ATOM 15 CA ALA A 15 263.505 270.350 224.179 1.00 0.00 C +ATOM 16 CA PRO A 16 264.160 266.666 224.898 1.00 0.00 C +ATOM 17 CA ASP A 17 265.828 264.966 221.924 1.00 0.00 C +ATOM 18 CA ILE A 18 268.265 265.371 219.024 1.00 0.00 C +ATOM 19 CA LYS A 19 266.036 265.314 215.934 1.00 0.00 C +ATOM 20 CA PRO A 20 264.926 261.920 214.606 1.00 0.00 C +ATOM 21 CA ARG A 21 264.927 259.493 211.669 1.00 0.00 C +ATOM 22 CA GLU A 22 266.321 256.472 209.811 1.00 0.00 C +ATOM 23 CA GLU A 23 269.060 254.038 208.770 1.00 0.00 C +ATOM 24 CA LEU A 24 270.150 250.839 210.529 1.00 0.00 C +ATOM 25 CA PRO A 25 267.277 248.837 212.030 1.00 0.00 C +ATOM 26 CA CYS A 26 265.437 248.005 215.261 1.00 0.00 C +ATOM 27 CA HIS A 27 262.596 248.523 217.747 1.00 0.00 C +ATOM 28 CA ARG A 28 261.185 251.137 220.131 1.00 0.00 C +ATOM 29 CA ALA A 29 258.125 253.176 219.133 1.00 0.00 C +ATOM 30 CA ALA A 30 254.781 253.932 220.794 1.00 0.00 C +ATOM 31 CA GLY A 31 252.861 255.018 223.900 1.00 0.00 C +ATOM 32 CA ILE A 32 253.683 258.699 224.440 1.00 0.00 C +ATOM 33 CA GLY A 33 255.707 261.732 225.544 1.00 0.00 C +ATOM 34 CA PRO A 34 257.731 263.395 228.311 1.00 0.00 C +ATOM 35 CA THR A 35 256.807 264.374 231.875 1.00 0.00 C +ATOM 36 CA PRO A 36 254.224 263.179 234.408 1.00 0.00 C +ATOM 37 CA ALA A 37 250.800 263.331 236.072 1.00 0.00 C +ATOM 38 CA CYS A 38 250.393 260.018 237.908 1.00 0.00 C +ATOM 39 CA ALA A 39 251.941 256.579 237.364 1.00 0.00 C +ATOM 40 CA ALA A 40 250.068 253.274 237.647 1.00 0.00 C +ATOM 41 CA ASP A 41 249.605 251.595 241.036 1.00 0.00 C +ATOM 42 CA PRO A 42 251.059 248.242 242.112 1.00 0.00 C +ATOM 43 CA GLY A 43 251.128 244.783 243.708 1.00 0.00 C +ATOM 44 CA PRO A 44 253.653 242.673 245.628 1.00 0.00 C +ATOM 45 CA ALA A 45 251.945 241.379 248.779 1.00 0.00 C +ATOM 46 CA ALA A 46 250.660 244.492 250.561 1.00 0.00 C +ATOM 47 CA GLY A 47 249.834 247.948 251.936 1.00 0.00 C +ATOM 48 CA CYS A 48 250.824 251.562 252.621 1.00 0.00 C +ATOM 49 CA ASP A 49 250.479 255.305 251.997 1.00 0.00 C +ATOM 50 CA ASP A 50 247.134 257.034 252.583 1.00 0.00 C +ATOM 51 CA ASP A 51 244.827 257.860 249.666 1.00 0.00 C +ATOM 52 CA GLY A 52 242.616 255.764 247.378 1.00 0.00 C +ATOM 53 CA VAL A 53 240.133 253.114 246.224 1.00 0.00 C +ATOM 54 CA PRO A 54 239.441 249.380 246.534 1.00 0.00 C +ATOM 55 CA ARG A 55 240.935 246.775 244.190 1.00 0.00 C +ATOM 56 CA GLY A 56 243.872 245.296 246.115 1.00 0.00 C +ATOM 57 CA ARG A 57 244.388 241.761 244.792 1.00 0.00 C +ATOM 58 CA GLY A 58 241.676 239.303 245.850 1.00 0.00 C +ATOM 59 CA ASP A 59 238.409 238.589 247.675 1.00 0.00 C +ATOM 60 CA ALA A 60 235.733 238.683 250.385 1.00 0.00 C +ATOM 61 CA ARG A 61 236.300 240.012 253.911 1.00 0.00 C +ATOM 62 CA LEU A 62 235.678 239.440 257.626 1.00 0.00 C +ATOM 63 CA SER A 63 232.991 237.377 259.369 1.00 0.00 C +ATOM 64 CA PRO A 64 229.858 237.749 261.505 1.00 0.00 C +ATOM 65 CA ALA A 65 228.795 238.721 265.032 1.00 0.00 C +ATOM 66 CA PRO A 66 228.318 237.235 268.508 1.00 0.00 C +ATOM 67 CA SER A 67 228.215 235.635 271.964 1.00 0.00 C +ATOM 68 CA ARG A 68 231.750 234.544 272.873 1.00 0.00 C +ATOM 69 CA ALA A 69 233.906 234.946 275.989 1.00 0.00 C +ATOM 70 CA PRO A 70 237.551 235.756 276.746 1.00 0.00 C +ATOM 71 CA ARG A 71 240.425 237.162 274.677 1.00 0.00 C +ATOM 72 CA GLU A 72 240.927 239.745 271.922 1.00 0.00 C +ATOM 73 CA PRO A 73 242.777 241.639 269.182 1.00 0.00 C +ATOM 74 CA ARG A 74 246.516 242.183 268.694 1.00 0.00 C +ATOM 75 CA PRO A 75 249.845 240.598 269.652 1.00 0.00 C +ATOM 76 CA LEU A 76 253.388 240.795 268.264 1.00 0.00 C +ATOM 77 CA ARG A 77 257.035 239.893 267.628 1.00 0.00 C +ATOM 78 CA GLU A 78 259.820 241.788 265.849 1.00 0.00 C +ATOM 79 CA PRO A 79 262.005 244.746 266.845 1.00 0.00 C +ATOM 80 CA ARG A 80 262.114 247.814 264.588 1.00 0.00 C +ATOM 81 CA PRO A 81 261.641 247.746 260.808 1.00 0.00 C +ATOM 82 CA PRO A 82 261.123 244.260 259.362 1.00 0.00 C +ATOM 83 CA ARG A 83 262.145 244.439 255.696 1.00 0.00 C +ATOM 84 CA GLU A 84 259.741 242.642 253.348 1.00 0.00 C +ATOM 85 CA PRO A 85 256.149 242.342 254.584 1.00 0.00 C +ATOM 86 CA ARG A 86 254.916 241.083 257.961 1.00 0.00 C +ATOM 87 CA ARG A 87 255.374 238.785 260.966 1.00 0.00 C +ATOM 88 CA PRO A 88 256.403 235.160 261.530 1.00 0.00 C +ATOM 89 CA ARG A 89 260.140 234.928 260.827 1.00 0.00 C +ATOM 90 CA ASP A 90 263.325 235.682 262.779 1.00 0.00 C +ATOM 91 CA PRO A 91 264.769 233.342 265.416 1.00 0.00 C +ATOM 92 CA ARG A 92 262.649 230.887 267.414 1.00 0.00 C +ATOM 93 CA GLN A 93 258.946 229.998 267.299 1.00 0.00 C +ATOM 94 CA PRO A 94 255.465 230.815 265.983 1.00 0.00 C +ATOM 95 CA ARG A 95 253.617 233.310 268.192 1.00 0.00 C +ATOM 96 CA GLY A 96 251.767 233.113 271.516 1.00 0.00 C +ATOM 97 CA PRO A 97 251.134 236.190 273.672 1.00 0.00 C +ATOM 98 CA PRO A 98 252.609 238.706 276.124 1.00 0.00 C +ATOM 99 CA ARG A 99 255.188 240.910 277.858 1.00 0.00 C +ATOM 100 CA THR A 100 253.284 242.860 280.520 1.00 0.00 C +ATOM 101 CA PRO A 101 251.367 245.584 282.369 1.00 0.00 C +ATOM 102 CA ARG A 102 251.933 248.005 285.256 1.00 0.00 C +ATOM 103 CA ARG A 103 249.924 247.537 288.460 1.00 0.00 C +ATOM 104 CA TYR A 104 246.607 247.698 290.327 1.00 0.00 C +ATOM 105 CA VAL A 105 243.048 249.001 289.938 1.00 0.00 C +ATOM 106 CA GLN A 106 242.831 251.105 286.769 1.00 0.00 C +ATOM 107 CA PRO A 107 240.739 252.808 284.079 1.00 0.00 C +ATOM 108 CA PRO A 108 239.500 250.452 281.354 1.00 0.00 C +ATOM 109 CA ALA A 109 237.123 251.743 278.671 1.00 0.00 C +ATOM 110 CA PRO A 110 236.273 255.404 278.047 1.00 0.00 C +ATOM 111 CA ARG A 111 239.014 258.015 277.618 1.00 0.00 C +ATOM 112 CA ASP A 112 238.799 260.461 280.532 1.00 0.00 C +ATOM 113 CA PRO A 113 236.956 263.698 281.333 1.00 0.00 C +ATOM 114 CA ARG A 114 238.115 266.029 284.115 1.00 0.00 C +ATOM 115 CA GLY A 115 239.689 263.944 286.888 1.00 0.00 C +TER 116 GLY A 115 +END diff --git a/Viruses/Q5YA80/Q5YA80.dcd b/Viruses/Q5YA80/Q5YA80.dcd new file mode 100644 index 0000000000000000000000000000000000000000..dc53dce171217e8464ef12a11ec40d35bed2422a --- /dev/null +++ b/Viruses/Q5YA80/Q5YA80.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4643d63d9da8831a157b7fb25315f5983fb4783d34cc127771b918d7cd7b360b +size 5360276 diff --git a/Viruses/Q5YA80/top.pdb b/Viruses/Q5YA80/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a08bbfb1626262deeabf95021c821b2546f0190b --- /dev/null +++ b/Viruses/Q5YA80/top.pdb @@ -0,0 +1,42 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 246.754 258.672 272.857 1.00 0.00 C +ATOM 2 CA ALA A 2 245.604 261.725 270.890 1.00 0.00 C +ATOM 3 CA LYS A 3 244.440 265.128 269.630 1.00 0.00 C +ATOM 4 CA SER A 4 244.009 268.349 267.642 1.00 0.00 C +ATOM 5 CA ASP A 5 246.491 270.059 265.311 1.00 0.00 C +ATOM 6 CA ARG A 6 250.150 270.805 266.065 1.00 0.00 C +ATOM 7 CA GLY A 7 252.902 268.382 267.101 1.00 0.00 C +ATOM 8 CA GLN A 8 253.590 265.843 264.346 1.00 0.00 C +ATOM 9 CA VAL A 9 255.401 264.430 261.306 1.00 0.00 C +ATOM 10 CA LYS A 10 253.444 263.071 258.333 1.00 0.00 C +ATOM 11 CA PRO A 11 252.763 259.351 258.797 1.00 0.00 C +ATOM 12 CA GLY A 12 251.449 257.343 255.837 1.00 0.00 C +ATOM 13 CA PRO A 13 249.885 254.657 253.635 1.00 0.00 C +ATOM 14 CA THR A 14 246.509 253.079 252.840 1.00 0.00 C +ATOM 15 CA LYS A 15 243.491 251.060 253.994 1.00 0.00 C +ATOM 16 CA ASN A 16 240.681 250.441 251.497 1.00 0.00 C +ATOM 17 CA SER A 17 237.174 250.399 252.986 1.00 0.00 C +ATOM 18 CA GLN A 18 234.277 250.085 250.531 1.00 0.00 C +ATOM 19 CA ASN A 19 234.516 250.423 246.744 1.00 0.00 C +ATOM 20 CA ASN A 20 234.385 249.158 243.152 1.00 0.00 C +ATOM 21 CA SER A 21 234.494 250.063 239.453 1.00 0.00 C +ATOM 22 CA THR A 22 236.767 250.615 236.445 1.00 0.00 C +ATOM 23 CA LYS A 23 240.280 249.160 236.211 1.00 0.00 C +ATOM 24 CA ASP A 24 243.979 248.600 235.488 1.00 0.00 C +ATOM 25 CA SER A 25 247.660 247.755 235.988 1.00 0.00 C +ATOM 26 CA ARG A 26 250.110 245.035 234.930 1.00 0.00 C +ATOM 27 CA LEU A 27 250.578 241.510 233.563 1.00 0.00 C +ATOM 28 CA LYS A 28 253.371 239.961 235.641 1.00 0.00 C +ATOM 29 CA GLY A 29 255.198 236.620 235.756 1.00 0.00 C +ATOM 30 CA ARG A 30 255.093 234.792 239.097 1.00 0.00 C +ATOM 31 CA SER A 31 256.749 236.967 241.751 1.00 0.00 C +ATOM 32 CA GLY A 32 259.259 236.420 244.564 1.00 0.00 C +ATOM 33 CA PRO A 33 260.105 234.435 247.704 1.00 0.00 C +ATOM 34 CA GLN A 34 262.869 231.875 247.132 1.00 0.00 C +ATOM 35 CA LYS A 35 266.613 231.238 246.830 1.00 0.00 C +ATOM 36 CA ASN A 36 268.098 231.264 243.321 1.00 0.00 C +ATOM 37 CA LYS A 37 270.562 233.819 241.937 1.00 0.00 C +ATOM 38 CA LYS A 38 270.300 237.411 240.696 1.00 0.00 C +TER 39 LYS A 38 +END diff --git a/Viruses/Q5YF20/Q5YF20.dcd b/Viruses/Q5YF20/Q5YF20.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c6fd16e7a50f19f9217aab85475b5b23ddf4208a --- /dev/null +++ b/Viruses/Q5YF20/Q5YF20.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0abaa4efe802366c1fdb0d541bed529bef739e060d8c7bdc4afbe083e6cc123d +size 7640276 diff --git a/Viruses/Q5YF20/top.pdb b/Viruses/Q5YF20/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f80a63687b3952162ea37990274fe0ebd438956c --- /dev/null +++ b/Viruses/Q5YF20/top.pdb @@ -0,0 +1,61 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 273.443 267.420 227.547 1.00 0.00 C +ATOM 2 CA LEU A 2 275.178 264.128 228.366 1.00 0.00 C +ATOM 3 CA VAL A 3 278.885 265.000 228.507 1.00 0.00 C +ATOM 4 CA SER A 4 282.578 264.082 228.323 1.00 0.00 C +ATOM 5 CA HIS A 5 285.386 262.216 230.097 1.00 0.00 C +ATOM 6 CA ARG A 6 286.833 259.995 232.834 1.00 0.00 C +ATOM 7 CA PRO A 7 284.715 259.145 235.885 1.00 0.00 C +ATOM 8 CA SER A 8 283.343 261.342 238.679 1.00 0.00 C +ATOM 9 CA CYS A 9 279.789 261.115 240.033 1.00 0.00 C +ATOM 10 CA ALA A 10 276.213 259.799 240.062 1.00 0.00 C +ATOM 11 CA ARG A 11 275.997 257.076 242.719 1.00 0.00 C +ATOM 12 CA ARG A 12 273.976 256.076 245.789 1.00 0.00 C +ATOM 13 CA ASP A 13 270.844 258.236 245.585 1.00 0.00 C +ATOM 14 CA CYS A 14 267.858 256.384 244.111 1.00 0.00 C +ATOM 15 CA SER A 15 266.414 257.723 240.849 1.00 0.00 C +ATOM 16 CA ASP A 16 264.294 260.272 238.971 1.00 0.00 C +ATOM 17 CA ASN A 17 261.936 261.844 241.517 1.00 0.00 C +ATOM 18 CA GLY A 18 259.882 264.960 242.284 1.00 0.00 C +ATOM 19 CA GLN A 19 256.457 264.888 243.951 1.00 0.00 C +ATOM 20 CA ARG A 20 254.886 262.246 246.203 1.00 0.00 C +ATOM 21 CA GLN A 21 252.343 263.129 248.899 1.00 0.00 C +ATOM 22 CA ASP A 22 249.169 261.476 250.209 1.00 0.00 C +ATOM 23 CA SER A 23 246.637 259.089 251.759 1.00 0.00 C +ATOM 24 CA GLY A 24 245.419 255.651 252.861 1.00 0.00 C +ATOM 25 CA MET A 25 244.029 252.108 253.034 1.00 0.00 C +ATOM 26 CA HIS A 26 244.550 250.474 249.631 1.00 0.00 C +ATOM 27 CA HIS A 27 242.747 248.702 246.782 1.00 0.00 C +ATOM 28 CA ALA A 28 245.210 246.143 245.403 1.00 0.00 C +ATOM 29 CA LEU A 29 247.882 243.895 246.928 1.00 0.00 C +ATOM 30 CA ALA A 30 245.993 241.222 248.877 1.00 0.00 C +ATOM 31 CA VAL A 31 243.693 239.187 251.133 1.00 0.00 C +ATOM 32 CA PRO A 32 245.226 236.920 253.783 1.00 0.00 C +ATOM 33 CA PRO A 33 243.950 234.642 256.557 1.00 0.00 C +ATOM 34 CA ARG A 34 242.958 236.018 259.969 1.00 0.00 C +ATOM 35 CA SER A 35 244.574 235.614 263.395 1.00 0.00 C +ATOM 36 CA ALA A 36 245.227 238.509 265.785 1.00 0.00 C +ATOM 37 CA PRO A 37 242.493 241.147 265.486 1.00 0.00 C +ATOM 38 CA GLN A 38 239.014 242.117 264.274 1.00 0.00 C +ATOM 39 CA SER A 39 236.833 245.038 263.168 1.00 0.00 C +ATOM 40 CA THR A 40 236.552 248.738 264.034 1.00 0.00 C +ATOM 41 CA ALA A 41 236.638 252.130 262.301 1.00 0.00 C +ATOM 42 CA SER A 42 236.139 251.350 258.606 1.00 0.00 C +ATOM 43 CA HIS A 43 239.082 250.711 256.272 1.00 0.00 C +ATOM 44 CA PRO A 44 238.058 251.498 252.687 1.00 0.00 C +ATOM 45 CA HIS A 45 234.659 249.875 252.114 1.00 0.00 C +ATOM 46 CA GLY A 46 231.826 247.376 251.618 1.00 0.00 C +ATOM 47 CA GLN A 47 232.027 245.028 254.612 1.00 0.00 C +ATOM 48 CA SER A 48 231.369 241.658 256.263 1.00 0.00 C +ATOM 49 CA ASP A 49 229.889 241.393 259.763 1.00 0.00 C +ATOM 50 CA THR A 50 228.394 239.858 262.914 1.00 0.00 C +ATOM 51 CA GLN A 51 226.017 237.757 265.023 1.00 0.00 C +ATOM 52 CA PRO A 52 222.339 236.821 265.358 1.00 0.00 C +ATOM 53 CA MET A 53 220.643 235.996 262.048 1.00 0.00 C +ATOM 54 CA PHE A 54 221.035 234.048 258.797 1.00 0.00 C +ATOM 55 CA VAL A 55 223.907 232.283 257.021 1.00 0.00 C +ATOM 56 CA HIS A 56 227.329 230.845 256.162 1.00 0.00 C +ATOM 57 CA ILE A 57 227.244 227.606 254.159 1.00 0.00 C +TER 58 ILE A 57 +END diff --git a/Viruses/Q5YFF2/Q5YFF2.dcd b/Viruses/Q5YFF2/Q5YFF2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..628fa13bf6682451a1d0bc4f95b822ff17aded80 --- /dev/null +++ b/Viruses/Q5YFF2/Q5YFF2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9e1da44e4870b24bad7394d1c2461422462788019ba4e86ebb51c6cc288a70f2 +size 42420276 diff --git a/Viruses/Q5YFF2/top.pdb b/Viruses/Q5YFF2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..bfb431ee87753672ed80b7da714df3de794bce13 --- /dev/null +++ b/Viruses/Q5YFF2/top.pdb @@ -0,0 +1,233 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 270.770 349.689 263.493 1.00 0.00 C +ATOM 2 CA GLN A 2 267.384 348.307 262.423 1.00 0.00 C +ATOM 3 CA SER A 3 264.040 347.006 261.143 1.00 0.00 C +ATOM 4 CA LEU A 4 261.931 344.393 262.943 1.00 0.00 C +ATOM 5 CA HIS A 5 264.106 342.597 265.505 1.00 0.00 C +ATOM 6 CA ALA A 6 266.321 339.724 266.669 1.00 0.00 C +ATOM 7 CA SER A 7 269.777 338.428 267.616 1.00 0.00 C +ATOM 8 CA ASP A 8 272.728 336.020 267.526 1.00 0.00 C +ATOM 9 CA VAL A 9 271.547 333.076 265.416 1.00 0.00 C +ATOM 10 CA ALA A 10 269.881 330.682 267.867 1.00 0.00 C +ATOM 11 CA SER A 11 266.229 330.530 266.792 1.00 0.00 C +ATOM 12 CA THR A 12 263.602 331.328 264.151 1.00 0.00 C +ATOM 13 CA HIS A 13 261.784 328.327 262.667 1.00 0.00 C +ATOM 14 CA ALA A 14 264.284 325.464 262.931 1.00 0.00 C +ATOM 15 CA ALA A 15 265.648 322.070 263.999 1.00 0.00 C +ATOM 16 CA HIS A 16 269.205 320.967 263.192 1.00 0.00 C +ATOM 17 CA SER A 17 270.725 317.706 261.939 1.00 0.00 C +ATOM 18 CA VAL A 18 269.296 315.126 259.527 1.00 0.00 C +ATOM 19 CA ARG A 19 266.767 313.154 257.471 1.00 0.00 C +ATOM 20 CA HIS A 20 263.020 313.121 256.783 1.00 0.00 C +ATOM 21 CA THR A 21 259.764 315.090 256.584 1.00 0.00 C +ATOM 22 CA PRO A 22 256.909 317.183 257.992 1.00 0.00 C +ATOM 23 CA SER A 23 254.972 319.514 260.301 1.00 0.00 C +ATOM 24 CA SER A 24 254.041 317.774 263.560 1.00 0.00 C +ATOM 25 CA PRO A 25 255.204 314.218 264.281 1.00 0.00 C +ATOM 26 CA GLY A 26 253.474 310.925 265.107 1.00 0.00 C +ATOM 27 CA CYS A 27 252.258 308.794 268.021 1.00 0.00 C +ATOM 28 CA PRO A 28 250.468 310.569 270.878 1.00 0.00 C +ATOM 29 CA GLY A 29 250.898 313.793 272.863 1.00 0.00 C +ATOM 30 CA GLY A 30 248.163 316.277 271.934 1.00 0.00 C +ATOM 31 CA PRO A 31 244.767 315.844 273.606 1.00 0.00 C +ATOM 32 CA LEU A 32 242.161 315.585 270.838 1.00 0.00 C +ATOM 33 CA GLY A 33 242.064 313.573 267.604 1.00 0.00 C +ATOM 34 CA PRO A 34 245.704 313.235 266.530 1.00 0.00 C +ATOM 35 CA LEU A 35 248.266 313.995 263.815 1.00 0.00 C +ATOM 36 CA GLY A 36 248.285 314.284 260.016 1.00 0.00 C +ATOM 37 CA PRO A 37 249.089 312.625 256.682 1.00 0.00 C +ATOM 38 CA ALA A 38 251.688 310.719 254.649 1.00 0.00 C +ATOM 39 CA GLN A 39 252.898 307.203 253.819 1.00 0.00 C +ATOM 40 CA PRO A 40 253.502 305.997 250.256 1.00 0.00 C +ATOM 41 CA PHE A 41 253.706 303.217 247.658 1.00 0.00 C +ATOM 42 CA GLY A 42 254.377 299.579 246.749 1.00 0.00 C +ATOM 43 CA PRO A 43 251.612 297.246 245.553 1.00 0.00 C +ATOM 44 CA ALA A 44 250.548 294.147 243.610 1.00 0.00 C +ATOM 45 CA GLY A 45 247.615 291.995 244.742 1.00 0.00 C +ATOM 46 CA PRO A 46 243.991 290.831 244.905 1.00 0.00 C +ATOM 47 CA ALA A 47 241.397 292.852 242.980 1.00 0.00 C +ATOM 48 CA GLU A 48 237.971 291.678 244.161 1.00 0.00 C +ATOM 49 CA PRO A 49 235.405 289.883 246.332 1.00 0.00 C +ATOM 50 CA GLY A 50 233.363 289.914 249.548 1.00 0.00 C +ATOM 51 CA SER A 51 231.854 287.270 251.841 1.00 0.00 C +ATOM 52 CA PRO A 52 234.706 285.589 253.727 1.00 0.00 C +ATOM 53 CA GLY A 53 235.438 281.850 253.692 1.00 0.00 C +ATOM 54 CA SER A 54 237.090 280.729 250.447 1.00 0.00 C +ATOM 55 CA PRO A 55 239.252 280.411 247.325 1.00 0.00 C +ATOM 56 CA LEU A 56 242.422 279.929 245.268 1.00 0.00 C +ATOM 57 CA MET A 57 243.702 276.340 245.310 1.00 0.00 C +ATOM 58 CA ALA A 58 244.904 273.162 243.587 1.00 0.00 C +ATOM 59 CA LEU A 59 242.989 270.045 242.520 1.00 0.00 C +ATOM 60 CA ALA A 60 240.115 269.164 240.179 1.00 0.00 C +ATOM 61 CA ILE A 61 238.057 269.371 236.980 1.00 0.00 C +ATOM 62 CA PRO A 62 238.001 269.188 233.174 1.00 0.00 C +ATOM 63 CA VAL A 63 239.121 267.050 230.227 1.00 0.00 C +ATOM 64 CA SER A 64 237.205 265.872 227.151 1.00 0.00 C +ATOM 65 CA PRO A 65 237.918 267.651 223.858 1.00 0.00 C +ATOM 66 CA PHE A 66 236.870 271.313 223.963 1.00 0.00 C +ATOM 67 CA TRP A 67 237.991 273.153 220.820 1.00 0.00 C +ATOM 68 CA PRO A 68 239.208 275.933 218.518 1.00 0.00 C +ATOM 69 CA GLY A 69 242.484 275.061 216.778 1.00 0.00 C +ATOM 70 CA THR A 70 244.370 273.203 214.039 1.00 0.00 C +ATOM 71 CA PRO A 71 245.847 274.319 210.709 1.00 0.00 C +ATOM 72 CA GLY A 72 245.990 278.123 210.550 1.00 0.00 C +ATOM 73 CA ALA A 73 244.140 280.332 208.058 1.00 0.00 C +ATOM 74 CA PRO A 74 245.646 281.100 204.643 1.00 0.00 C +ATOM 75 CA ALA A 75 247.511 279.950 201.526 1.00 0.00 C +ATOM 76 CA GLY A 76 249.019 279.994 198.028 1.00 0.00 C +ATOM 77 CA PRO A 77 246.929 279.152 194.955 1.00 0.00 C +ATOM 78 CA GLY A 78 243.272 278.541 195.831 1.00 0.00 C +ATOM 79 CA GLY A 79 240.867 276.042 197.408 1.00 0.00 C +ATOM 80 CA PRO A 80 238.980 273.155 195.788 1.00 0.00 C +ATOM 81 CA GLY A 81 237.253 272.275 192.508 1.00 0.00 C +ATOM 82 CA GLY A 82 234.763 273.941 190.155 1.00 0.00 C +ATOM 83 CA PRO A 83 236.122 274.523 186.644 1.00 0.00 C +ATOM 84 CA GLY A 84 237.765 271.350 185.322 1.00 0.00 C +ATOM 85 CA PHE A 85 235.409 268.356 185.346 1.00 0.00 C +ATOM 86 CA THR A 86 232.181 266.943 186.796 1.00 0.00 C +ATOM 87 CA PRO A 87 231.051 265.184 189.981 1.00 0.00 C +ATOM 88 CA GLU A 88 231.243 263.177 193.214 1.00 0.00 C +ATOM 89 CA LYS A 89 231.015 261.199 196.463 1.00 0.00 C +ATOM 90 CA PHE A 90 228.386 259.160 198.319 1.00 0.00 C +ATOM 91 CA SER A 91 229.506 255.521 198.163 1.00 0.00 C +ATOM 92 CA SER A 92 231.716 252.999 199.970 1.00 0.00 C +ATOM 93 CA PRO A 93 233.383 250.836 197.313 1.00 0.00 C +ATOM 94 CA PHE A 94 234.771 247.416 198.257 1.00 0.00 C +ATOM 95 CA GLY A 95 236.619 244.446 199.765 1.00 0.00 C +ATOM 96 CA PRO A 96 238.126 245.688 203.036 1.00 0.00 C +ATOM 97 CA CYS A 97 241.857 245.432 203.764 1.00 0.00 C +ATOM 98 CA GLY A 98 244.419 244.144 206.273 1.00 0.00 C +ATOM 99 CA PRO A 99 247.629 245.845 207.422 1.00 0.00 C +ATOM 100 CA MET A 100 249.929 244.565 210.176 1.00 0.00 C +ATOM 101 CA GLY A 101 250.391 247.454 212.617 1.00 0.00 C +ATOM 102 CA PRO A 102 249.820 250.767 210.825 1.00 0.00 C +ATOM 103 CA VAL A 103 246.781 252.983 211.432 1.00 0.00 C +ATOM 104 CA SER A 104 243.608 251.381 212.803 1.00 0.00 C +ATOM 105 CA PRO A 105 241.768 248.049 212.631 1.00 0.00 C +ATOM 106 CA MET A 106 243.854 245.424 214.439 1.00 0.00 C +ATOM 107 CA SER A 107 243.307 243.411 217.628 1.00 0.00 C +ATOM 108 CA PRO A 108 243.275 240.180 219.646 1.00 0.00 C +ATOM 109 CA PHE A 109 244.794 240.539 223.122 1.00 0.00 C +ATOM 110 CA ASP A 110 245.667 238.009 225.833 1.00 0.00 C +ATOM 111 CA PRO A 111 242.956 235.804 227.351 1.00 0.00 C +ATOM 112 CA ARG A 112 241.996 232.886 229.605 1.00 0.00 C +ATOM 113 CA GLY A 113 239.155 231.536 231.754 1.00 0.00 C +ATOM 114 CA PRO A 114 240.054 228.450 233.800 1.00 0.00 C +ATOM 115 CA THR A 115 240.570 225.602 236.278 1.00 0.00 C +ATOM 116 CA SER A 116 241.749 225.149 239.872 1.00 0.00 C +ATOM 117 CA PRO A 117 240.901 225.968 243.495 1.00 0.00 C +ATOM 118 CA PHE A 118 240.251 223.262 246.098 1.00 0.00 C +ATOM 119 CA VAL A 119 240.637 219.689 247.364 1.00 0.00 C +ATOM 120 CA PRO A 120 238.946 216.285 247.622 1.00 0.00 C +ATOM 121 CA MET A 121 235.811 214.609 248.993 1.00 0.00 C +ATOM 122 CA GLY A 122 235.242 216.320 252.349 1.00 0.00 C +ATOM 123 CA PRO A 123 238.428 215.975 254.410 1.00 0.00 C +ATOM 124 CA HIS A 124 240.433 213.324 256.273 1.00 0.00 C +ATOM 125 CA PHE A 125 241.119 212.151 259.833 1.00 0.00 C +ATOM 126 CA PRO A 126 240.970 214.536 262.801 1.00 0.00 C +ATOM 127 CA ARG A 127 238.546 217.233 263.969 1.00 0.00 C +ATOM 128 CA SER A 128 236.347 220.239 263.165 1.00 0.00 C +ATOM 129 CA PRO A 129 236.874 223.564 264.949 1.00 0.00 C +ATOM 130 CA PHE A 130 235.944 227.090 263.844 1.00 0.00 C +ATOM 131 CA CYS A 131 238.713 229.707 263.874 1.00 0.00 C +ATOM 132 CA PRO A 132 241.927 229.023 261.946 1.00 0.00 C +ATOM 133 CA GLY A 133 244.470 231.437 263.437 1.00 0.00 C +ATOM 134 CA SER A 134 243.290 235.051 263.692 1.00 0.00 C +ATOM 135 CA PRO A 135 245.370 237.416 261.547 1.00 0.00 C +ATOM 136 CA LEU A 136 249.171 237.671 261.490 1.00 0.00 C +ATOM 137 CA GLY A 137 252.057 238.126 263.935 1.00 0.00 C +ATOM 138 CA PRO A 138 255.078 240.448 263.940 1.00 0.00 C +ATOM 139 CA GLY A 139 256.070 242.398 267.058 1.00 0.00 C +ATOM 140 CA SER A 140 253.511 244.905 268.357 1.00 0.00 C +ATOM 141 CA PRO A 141 255.000 248.203 269.551 1.00 0.00 C +ATOM 142 CA SER A 142 256.535 250.600 272.084 1.00 0.00 C +ATOM 143 CA PRO A 143 259.911 249.827 273.670 1.00 0.00 C +ATOM 144 CA PHE A 144 261.889 253.078 273.469 1.00 0.00 C +ATOM 145 CA VAL A 145 260.814 255.389 270.637 1.00 0.00 C +ATOM 146 CA PRO A 146 258.926 253.989 267.639 1.00 0.00 C +ATOM 147 CA GLY A 147 257.482 256.042 264.772 1.00 0.00 C +ATOM 148 CA THR A 148 256.511 254.534 261.410 1.00 0.00 C +ATOM 149 CA PRO A 149 256.387 251.700 258.866 1.00 0.00 C +ATOM 150 CA GLY A 150 254.307 248.901 257.331 1.00 0.00 C +ATOM 151 CA VAL A 151 253.827 246.696 254.262 1.00 0.00 C +ATOM 152 CA PRO A 152 254.421 242.934 254.183 1.00 0.00 C +ATOM 153 CA GLY A 153 257.392 240.634 254.814 1.00 0.00 C +ATOM 154 CA ALA A 154 257.657 236.941 253.915 1.00 0.00 C +ATOM 155 CA PRO A 155 258.759 233.419 252.968 1.00 0.00 C +ATOM 156 CA THR A 156 259.474 230.195 254.868 1.00 0.00 C +ATOM 157 CA MET A 157 262.807 230.487 256.691 1.00 0.00 C +ATOM 158 CA PRO A 158 265.272 231.122 259.526 1.00 0.00 C +ATOM 159 CA ALA A 159 264.097 230.899 263.144 1.00 0.00 C +ATOM 160 CA SER A 160 262.210 233.676 264.945 1.00 0.00 C +ATOM 161 CA PRO A 161 258.856 235.347 265.633 1.00 0.00 C +ATOM 162 CA GLY A 162 256.293 232.562 265.203 1.00 0.00 C +ATOM 163 CA SER A 163 254.164 229.792 266.722 1.00 0.00 C +ATOM 164 CA PRO A 164 250.591 230.901 267.442 1.00 0.00 C +ATOM 165 CA LEU A 165 247.818 229.539 269.671 1.00 0.00 C +ATOM 166 CA SER A 166 247.268 228.569 273.314 1.00 0.00 C +ATOM 167 CA PRO A 167 245.552 226.253 275.805 1.00 0.00 C +ATOM 168 CA GLY A 168 247.955 224.207 277.939 1.00 0.00 C +ATOM 169 CA ARG A 169 251.275 223.362 276.271 1.00 0.00 C +ATOM 170 CA PRO A 170 250.309 221.848 272.911 1.00 0.00 C +ATOM 171 CA TYR A 171 250.904 218.622 270.973 1.00 0.00 C +ATOM 172 CA SER A 172 254.496 217.354 270.969 1.00 0.00 C +ATOM 173 CA PRO A 173 257.230 217.410 273.622 1.00 0.00 C +ATOM 174 CA VAL A 174 259.891 214.916 274.723 1.00 0.00 C +ATOM 175 CA THR A 175 260.371 214.990 278.502 1.00 0.00 C +ATOM 176 CA PRO A 176 256.920 215.560 280.013 1.00 0.00 C +ATOM 177 CA GLY A 177 255.720 219.167 280.265 1.00 0.00 C +ATOM 178 CA GLY A 178 257.597 222.070 281.866 1.00 0.00 C +ATOM 179 CA PRO A 179 257.984 224.024 285.114 1.00 0.00 C +ATOM 180 CA ILE A 180 261.196 223.456 287.082 1.00 0.00 C +ATOM 181 CA GLY A 181 264.813 222.969 285.989 1.00 0.00 C +ATOM 182 CA PRO A 182 267.849 223.162 283.694 1.00 0.00 C +ATOM 183 CA GLY A 183 270.230 220.346 284.652 1.00 0.00 C +ATOM 184 CA GLY A 184 268.723 217.663 286.898 1.00 0.00 C +ATOM 185 CA PRO A 185 267.318 214.712 284.941 1.00 0.00 C +ATOM 186 CA GLY A 186 264.949 211.731 285.083 1.00 0.00 C +ATOM 187 CA GLY A 187 262.536 208.819 284.616 1.00 0.00 C +ATOM 188 CA PRO A 188 261.484 206.124 287.095 1.00 0.00 C +ATOM 189 CA GLY A 189 261.502 202.429 286.169 1.00 0.00 C +ATOM 190 CA GLY A 190 260.404 199.204 284.464 1.00 0.00 C +ATOM 191 CA PRO A 191 262.904 196.390 285.052 1.00 0.00 C +ATOM 192 CA GLY A 192 266.436 195.086 284.467 1.00 0.00 C +ATOM 193 CA PHE A 193 265.958 191.348 283.900 1.00 0.00 C +ATOM 194 CA ILE A 194 268.997 189.051 283.953 1.00 0.00 C +ATOM 195 CA PRO A 195 271.267 188.946 280.895 1.00 0.00 C +ATOM 196 CA GLU A 196 271.001 186.439 278.038 1.00 0.00 C +ATOM 197 CA ASP A 197 269.541 182.920 278.086 1.00 0.00 C +ATOM 198 CA SER A 198 267.036 181.410 275.645 1.00 0.00 C +ATOM 199 CA SER A 199 265.768 183.801 272.964 1.00 0.00 C +ATOM 200 CA SER A 200 264.655 185.364 269.672 1.00 0.00 C +ATOM 201 CA PRO A 201 262.732 185.136 266.391 1.00 0.00 C +ATOM 202 CA PHE A 202 260.898 185.142 263.051 1.00 0.00 C +ATOM 203 CA GLY A 203 261.021 185.396 259.251 1.00 0.00 C +ATOM 204 CA PRO A 204 261.463 187.423 256.056 1.00 0.00 C +ATOM 205 CA GLY A 205 260.931 189.605 252.978 1.00 0.00 C +ATOM 206 CA GLY A 206 261.635 191.527 249.765 1.00 0.00 C +ATOM 207 CA PRO A 207 260.944 189.098 246.912 1.00 0.00 C +ATOM 208 CA GLY A 208 258.117 189.385 244.374 1.00 0.00 C +ATOM 209 CA CYS A 209 256.688 189.733 240.859 1.00 0.00 C +ATOM 210 CA PRO A 210 254.832 192.112 238.532 1.00 0.00 C +ATOM 211 CA GLY A 211 251.416 193.713 237.996 1.00 0.00 C +ATOM 212 CA ALA A 212 247.972 194.413 239.468 1.00 0.00 C +ATOM 213 CA PRO A 213 246.966 191.813 242.065 1.00 0.00 C +ATOM 214 CA LEU A 214 246.169 188.387 243.530 1.00 0.00 C +ATOM 215 CA GLY A 215 242.766 186.689 243.293 1.00 0.00 C +ATOM 216 CA PRO A 216 240.463 187.605 246.187 1.00 0.00 C +ATOM 217 CA ASP A 217 240.510 187.715 249.995 1.00 0.00 C +ATOM 218 CA SER A 218 241.388 186.314 253.428 1.00 0.00 C +ATOM 219 CA PRO A 219 238.895 184.375 255.559 1.00 0.00 C +ATOM 220 CA SER A 220 239.571 183.051 259.067 1.00 0.00 C +ATOM 221 CA ARG A 221 237.108 180.584 260.605 1.00 0.00 C +ATOM 222 CA PRO A 222 238.494 178.161 263.199 1.00 0.00 C +ATOM 223 CA GLY A 223 239.213 179.627 266.641 1.00 0.00 C +ATOM 224 CA ALA A 224 239.449 180.705 270.288 1.00 0.00 C +ATOM 225 CA PRO A 225 237.087 179.248 272.898 1.00 0.00 C +ATOM 226 CA LEU A 226 238.697 178.472 276.263 1.00 0.00 C +ATOM 227 CA GLY A 227 240.945 177.107 279.020 1.00 0.00 C +ATOM 228 CA PRO A 228 242.626 173.785 278.210 1.00 0.00 C +ATOM 229 CA GLY A 229 243.073 170.254 279.570 1.00 0.00 C +TER 230 GLY A 229 +END diff --git a/Viruses/Q5ZQY2/Q5ZQY2.dcd b/Viruses/Q5ZQY2/Q5ZQY2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..926247ec9582389ab31da54c2506ffce5f0a7ac6 --- /dev/null +++ b/Viruses/Q5ZQY2/Q5ZQY2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9253bea23b63aba9729b3e2c05690d77ec5f68c42bc915be2b950e9f2d7c168d +size 4640276 diff --git a/Viruses/Q5ZQY2/top.pdb b/Viruses/Q5ZQY2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..bdc587cb8cbbad818978bbd81a3b709e62812213 --- /dev/null +++ b/Viruses/Q5ZQY2/top.pdb @@ -0,0 +1,36 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 224.142 244.939 236.819 1.00 0.00 C +ATOM 2 CA ASP A 2 226.838 245.675 239.409 1.00 0.00 C +ATOM 3 CA ALA A 3 230.400 245.275 238.120 1.00 0.00 C +ATOM 4 CA THR A 4 232.642 244.149 235.252 1.00 0.00 C +ATOM 5 CA SER A 5 234.043 247.257 233.552 1.00 0.00 C +ATOM 6 CA THR A 6 235.842 250.496 232.659 1.00 0.00 C +ATOM 7 CA VAL A 7 237.340 253.466 234.515 1.00 0.00 C +ATOM 8 CA GLN A 8 240.860 254.708 235.280 1.00 0.00 C +ATOM 9 CA ALA A 9 244.643 255.098 235.513 1.00 0.00 C +ATOM 10 CA PRO A 10 246.712 255.771 238.640 1.00 0.00 C +ATOM 11 CA CYS A 11 248.376 258.596 240.581 1.00 0.00 C +ATOM 12 CA ARG A 12 249.968 259.848 243.808 1.00 0.00 C +ATOM 13 CA PRO A 13 250.159 262.159 246.831 1.00 0.00 C +ATOM 14 CA PRO A 14 251.860 263.385 250.012 1.00 0.00 C +ATOM 15 CA SER A 15 251.561 261.379 253.237 1.00 0.00 C +ATOM 16 CA ARG A 16 248.891 259.460 255.162 1.00 0.00 C +ATOM 17 CA ASN A 17 248.236 256.590 257.580 1.00 0.00 C +ATOM 18 CA TRP A 18 250.680 254.022 258.977 1.00 0.00 C +ATOM 19 CA ARG A 19 252.966 251.267 260.279 1.00 0.00 C +ATOM 20 CA PHE A 20 253.002 249.178 263.465 1.00 0.00 C +ATOM 21 CA PRO A 21 254.553 250.981 266.441 1.00 0.00 C +ATOM 22 CA GLY A 22 256.455 248.363 268.452 1.00 0.00 C +ATOM 23 CA ARG A 23 259.803 246.863 267.426 1.00 0.00 C +ATOM 24 CA GLN A 24 262.423 245.793 264.875 1.00 0.00 C +ATOM 25 CA GLY A 25 265.554 243.648 264.546 1.00 0.00 C +ATOM 26 CA THR A 26 266.090 240.654 262.252 1.00 0.00 C +ATOM 27 CA HIS A 27 263.657 240.737 259.321 1.00 0.00 C +ATOM 28 CA ASN A 28 264.025 238.454 256.293 1.00 0.00 C +ATOM 29 CA VAL A 29 263.180 238.676 252.585 1.00 0.00 C +ATOM 30 CA ASN A 30 260.946 241.636 251.712 1.00 0.00 C +ATOM 31 CA SER A 31 261.743 244.871 249.865 1.00 0.00 C +ATOM 32 CA LEU A 32 262.411 246.606 246.539 1.00 0.00 C +TER 33 LEU A 32 +END diff --git a/Viruses/Q64921/Q64921.dcd b/Viruses/Q64921/Q64921.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b42a697964ce9ba4a52e575df6db4d534c747d14 --- /dev/null +++ b/Viruses/Q64921/Q64921.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e20cf2aad1198b0b17a83b7be11419a97cb1ad06dafafd35c06ef36c82fbd924 +size 10520276 diff --git a/Viruses/Q64921/top.pdb b/Viruses/Q64921/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..99833b76a6779bc1e6a7ff18b389431ab6852e24 --- /dev/null +++ b/Viruses/Q64921/top.pdb @@ -0,0 +1,85 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 244.688 233.872 235.641 1.00 0.00 C +ATOM 2 CA SER A 2 244.616 230.063 235.665 1.00 0.00 C +ATOM 3 CA THR A 3 244.703 228.114 238.938 1.00 0.00 C +ATOM 4 CA PRO A 4 241.245 226.541 239.223 1.00 0.00 C +ATOM 5 CA GLY A 5 237.537 226.761 238.377 1.00 0.00 C +ATOM 6 CA GLY A 6 236.125 230.159 239.367 1.00 0.00 C +ATOM 7 CA GLY A 7 238.099 231.542 242.318 1.00 0.00 C +ATOM 8 CA GLY A 8 237.847 232.957 245.846 1.00 0.00 C +ATOM 9 CA ALA A 9 237.551 234.291 249.403 1.00 0.00 C +ATOM 10 CA SER A 10 241.051 234.873 250.792 1.00 0.00 C +ATOM 11 CA GLY A 11 244.237 236.075 252.501 1.00 0.00 C +ATOM 12 CA ARG A 12 247.984 236.757 252.616 1.00 0.00 C +ATOM 13 CA SER A 13 251.097 235.044 253.992 1.00 0.00 C +ATOM 14 CA PRO A 14 254.530 236.640 253.563 1.00 0.00 C +ATOM 15 CA ASN A 15 257.559 234.581 252.517 1.00 0.00 C +ATOM 16 CA GLY A 16 258.181 230.869 251.922 1.00 0.00 C +ATOM 17 CA LEU A 17 257.281 229.613 248.439 1.00 0.00 C +ATOM 18 CA GLY A 18 260.242 229.593 246.042 1.00 0.00 C +ATOM 19 CA ALA A 19 262.217 227.490 243.554 1.00 0.00 C +ATOM 20 CA ARG A 20 262.204 227.935 239.770 1.00 0.00 C +ATOM 21 CA PRO A 21 264.567 225.390 238.204 1.00 0.00 C +ATOM 22 CA LYS A 22 264.141 221.696 237.376 1.00 0.00 C +ATOM 23 CA ASP A 23 260.775 219.976 236.896 1.00 0.00 C +ATOM 24 CA LYS A 24 260.421 219.238 233.175 1.00 0.00 C +ATOM 25 CA GLY A 25 259.465 215.719 232.073 1.00 0.00 C +ATOM 26 CA PRO A 26 256.760 215.799 229.390 1.00 0.00 C +ATOM 27 CA LYS A 27 255.409 218.499 227.066 1.00 0.00 C +ATOM 28 CA GLY A 28 253.769 221.936 227.168 1.00 0.00 C +ATOM 29 CA LYS A 29 252.783 223.627 230.437 1.00 0.00 C +ATOM 30 CA SER A 30 250.880 226.459 232.132 1.00 0.00 C +ATOM 31 CA PRO A 31 252.456 228.345 235.043 1.00 0.00 C +ATOM 32 CA PRO A 32 253.799 229.691 238.345 1.00 0.00 C +ATOM 33 CA LYS A 33 254.767 233.367 238.615 1.00 0.00 C +ATOM 34 CA CYS A 34 251.938 235.568 237.325 1.00 0.00 C +ATOM 35 CA GLY A 35 251.550 238.462 239.774 1.00 0.00 C +ATOM 36 CA PRO A 36 251.813 241.279 242.325 1.00 0.00 C +ATOM 37 CA ALA A 37 252.537 244.877 241.303 1.00 0.00 C +ATOM 38 CA GLY A 38 255.704 244.952 239.186 1.00 0.00 C +ATOM 39 CA LYS A 39 258.286 243.012 237.164 1.00 0.00 C +ATOM 40 CA THR A 40 260.218 240.174 238.815 1.00 0.00 C +ATOM 41 CA PRO A 41 261.829 241.170 242.121 1.00 0.00 C +ATOM 42 CA PRO A 42 261.472 242.704 245.590 1.00 0.00 C +ATOM 43 CA LYS A 43 261.867 246.233 246.972 1.00 0.00 C +ATOM 44 CA ASP A 44 259.959 248.388 249.468 1.00 0.00 C +ATOM 45 CA LEU A 45 259.535 251.799 251.111 1.00 0.00 C +ATOM 46 CA GLY A 46 261.451 253.407 253.985 1.00 0.00 C +ATOM 47 CA ALA A 47 260.643 251.911 257.395 1.00 0.00 C +ATOM 48 CA ARG A 48 257.203 252.917 258.687 1.00 0.00 C +ATOM 49 CA PRO A 49 254.393 254.619 260.617 1.00 0.00 C +ATOM 50 CA LYS A 50 252.550 256.586 263.310 1.00 0.00 C +ATOM 51 CA GLU A 51 252.049 259.031 266.189 1.00 0.00 C +ATOM 52 CA LYS A 52 253.391 259.733 269.685 1.00 0.00 C +ATOM 53 CA GLY A 53 254.319 262.789 271.762 1.00 0.00 C +ATOM 54 CA PRO A 54 251.653 263.941 274.229 1.00 0.00 C +ATOM 55 CA LYS A 55 249.708 267.119 275.024 1.00 0.00 C +ATOM 56 CA GLY A 56 247.858 267.924 271.792 1.00 0.00 C +ATOM 57 CA LYS A 57 248.903 265.892 268.743 1.00 0.00 C +ATOM 58 CA SER A 58 246.900 266.779 265.625 1.00 0.00 C +ATOM 59 CA PRO A 59 245.951 264.508 262.718 1.00 0.00 C +ATOM 60 CA PRO A 60 247.106 264.555 259.087 1.00 0.00 C +ATOM 61 CA LYS A 61 250.285 266.623 258.718 1.00 0.00 C +ATOM 62 CA ASP A 62 251.103 269.768 256.729 1.00 0.00 C +ATOM 63 CA GLY A 63 250.221 273.438 256.214 1.00 0.00 C +ATOM 64 CA PRO A 64 252.842 274.976 253.916 1.00 0.00 C +ATOM 65 CA ALA A 65 254.586 277.817 255.761 1.00 0.00 C +ATOM 66 CA ALA A 66 252.162 280.468 257.032 1.00 0.00 C +ATOM 67 CA ARG A 67 251.304 283.808 258.651 1.00 0.00 C +ATOM 68 CA THR A 68 250.142 286.260 261.326 1.00 0.00 C +ATOM 69 CA HIS A 69 247.680 285.931 264.215 1.00 0.00 C +ATOM 70 CA GLN A 70 244.772 286.989 266.438 1.00 0.00 C +ATOM 71 CA LYS A 71 241.612 286.741 264.324 1.00 0.00 C +ATOM 72 CA THR A 72 238.680 286.904 261.896 1.00 0.00 C +ATOM 73 CA GLN A 73 235.161 287.819 260.759 1.00 0.00 C +ATOM 74 CA GLU A 74 233.137 285.585 258.428 1.00 0.00 C +ATOM 75 CA LEU A 75 230.112 283.272 258.538 1.00 0.00 C +ATOM 76 CA VAL A 76 228.322 280.578 256.523 1.00 0.00 C +ATOM 77 CA GLN A 77 227.788 278.611 253.305 1.00 0.00 C +ATOM 78 CA LYS A 78 230.434 275.913 252.820 1.00 0.00 C +ATOM 79 CA LYS A 79 233.568 276.877 250.879 1.00 0.00 C +ATOM 80 CA PHE A 80 236.500 278.474 252.714 1.00 0.00 C +ATOM 81 CA LEU A 81 239.812 279.308 254.402 1.00 0.00 C +TER 82 LEU A 81 +END diff --git a/Viruses/Q64989/Q64989.dcd b/Viruses/Q64989/Q64989.dcd new file mode 100644 index 0000000000000000000000000000000000000000..928d1f573a17f89bfebd161ae35500ede6f7fb34 --- /dev/null +++ b/Viruses/Q64989/Q64989.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a31cb9ca0198305789d5c6aa9d69cf9ee9a8c7ce60f11a5f0e27e3c49e49da46 +size 5720276 diff --git a/Viruses/Q64989/top.pdb b/Viruses/Q64989/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..348e808a761d20d3242daaacbdcacd05be09be03 --- /dev/null +++ b/Viruses/Q64989/top.pdb @@ -0,0 +1,45 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA TYR A 1 245.980 258.665 257.073 1.00 0.00 C +ATOM 2 CA ILE A 2 244.704 256.213 254.451 1.00 0.00 C +ATOM 3 CA PRO A 3 242.877 252.928 253.824 1.00 0.00 C +ATOM 4 CA SER A 4 241.323 252.647 250.357 1.00 0.00 C +ATOM 5 CA SER A 5 239.906 254.106 247.135 1.00 0.00 C +ATOM 6 CA THR A 6 242.552 255.579 244.823 1.00 0.00 C +ATOM 7 CA THR A 7 242.423 256.995 241.289 1.00 0.00 C +ATOM 8 CA ARG A 8 244.719 257.027 238.248 1.00 0.00 C +ATOM 9 CA SER A 9 244.290 255.496 234.786 1.00 0.00 C +ATOM 10 CA THR A 10 246.355 252.645 233.329 1.00 0.00 C +ATOM 11 CA SER A 11 247.762 249.460 234.875 1.00 0.00 C +ATOM 12 CA CYS A 12 251.547 249.893 234.952 1.00 0.00 C +ATOM 13 CA THR A 13 253.418 250.738 238.162 1.00 0.00 C +ATOM 14 CA ALA A 14 257.165 251.423 238.222 1.00 0.00 C +ATOM 15 CA ALA A 15 260.248 251.670 235.996 1.00 0.00 C +ATOM 16 CA ALA A 16 263.396 251.848 238.134 1.00 0.00 C +ATOM 17 CA SER A 17 265.603 253.855 240.504 1.00 0.00 C +ATOM 18 CA THR A 18 264.643 255.187 243.942 1.00 0.00 C +ATOM 19 CA SER A 19 263.091 252.924 246.585 1.00 0.00 C +ATOM 20 CA PRO A 20 259.894 250.983 247.311 1.00 0.00 C +ATOM 21 CA HIS A 21 259.498 250.825 251.097 1.00 0.00 C +ATOM 22 CA ALA A 22 259.122 248.812 254.310 1.00 0.00 C +ATOM 23 CA HIS A 23 255.988 246.656 254.531 1.00 0.00 C +ATOM 24 CA SER A 24 252.333 247.206 253.608 1.00 0.00 C +ATOM 25 CA SER A 25 251.638 250.852 254.467 1.00 0.00 C +ATOM 26 CA ALA A 26 251.711 252.789 257.747 1.00 0.00 C +ATOM 27 CA ALA A 27 249.266 254.427 260.166 1.00 0.00 C +ATOM 28 CA TYR A 28 246.215 254.993 262.377 1.00 0.00 C +ATOM 29 CA SER A 29 245.923 252.027 264.750 1.00 0.00 C +ATOM 30 CA SER A 30 247.976 249.314 266.465 1.00 0.00 C +ATOM 31 CA TRP A 31 251.321 247.991 265.210 1.00 0.00 C +ATOM 32 CA TRP A 32 252.560 246.340 262.007 1.00 0.00 C +ATOM 33 CA PRO A 33 250.338 243.768 260.287 1.00 0.00 C +ATOM 34 CA THR A 34 247.410 244.737 258.050 1.00 0.00 C +ATOM 35 CA THR A 35 243.855 243.567 257.335 1.00 0.00 C +ATOM 36 CA PRO A 36 242.168 246.070 255.011 1.00 0.00 C +ATOM 37 CA SER A 37 244.140 246.407 251.769 1.00 0.00 C +ATOM 38 CA LEU A 38 246.091 243.352 250.594 1.00 0.00 C +ATOM 39 CA CYS A 39 245.169 239.741 251.386 1.00 0.00 C +ATOM 40 CA HIS A 40 243.893 236.158 251.603 1.00 0.00 C +ATOM 41 CA ARG A 41 241.494 233.688 253.234 1.00 0.00 C +TER 42 ARG A 41 +END diff --git a/Viruses/Q65048/Q65048.dcd b/Viruses/Q65048/Q65048.dcd new file mode 100644 index 0000000000000000000000000000000000000000..2855c44520ff944214e3b21bdcb9150ffd3accdd --- /dev/null +++ b/Viruses/Q65048/Q65048.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:76aeefc2be020fea40f9a5c23301b99c3957fe4e717a191502452dc2e2d105ae +size 5360276 diff --git a/Viruses/Q65048/top.pdb b/Viruses/Q65048/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d5992dc4d2ba3d5d769a8015203a694b6dac46e5 --- /dev/null +++ b/Viruses/Q65048/top.pdb @@ -0,0 +1,42 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ALA A 1 266.449 262.387 254.993 1.00 0.00 C +ATOM 2 CA ASP A 2 264.686 265.178 256.896 1.00 0.00 C +ATOM 3 CA LEU A 3 264.617 266.998 260.243 1.00 0.00 C +ATOM 4 CA HIS A 4 263.750 270.389 261.746 1.00 0.00 C +ATOM 5 CA CYS A 5 262.640 273.919 262.653 1.00 0.00 C +ATOM 6 CA PRO A 6 259.073 275.252 262.529 1.00 0.00 C +ATOM 7 CA ARG A 7 258.133 275.962 258.906 1.00 0.00 C +ATOM 8 CA PRO A 8 259.399 277.115 255.502 1.00 0.00 C +ATOM 9 CA PRO A 9 259.878 275.067 252.325 1.00 0.00 C +ATOM 10 CA LEU A 10 258.065 272.174 250.635 1.00 0.00 C +ATOM 11 CA ALA A 11 256.266 269.718 252.926 1.00 0.00 C +ATOM 12 CA THR A 12 256.285 265.908 252.979 1.00 0.00 C +ATOM 13 CA GLU A 13 256.679 264.841 249.343 1.00 0.00 C +ATOM 14 CA VAL A 14 256.763 261.397 247.715 1.00 0.00 C +ATOM 15 CA SER A 15 258.297 259.169 245.032 1.00 0.00 C +ATOM 16 CA SER A 16 256.940 258.405 241.555 1.00 0.00 C +ATOM 17 CA GLN A 17 253.368 259.716 241.374 1.00 0.00 C +ATOM 18 CA ASP A 18 249.685 259.503 240.421 1.00 0.00 C +ATOM 19 CA ARG A 19 247.519 256.382 240.708 1.00 0.00 C +ATOM 20 CA HIS A 20 247.460 253.589 238.118 1.00 0.00 C +ATOM 21 CA LYS A 21 246.837 250.163 239.666 1.00 0.00 C +ATOM 22 CA GLN A 22 245.669 249.723 243.265 1.00 0.00 C +ATOM 23 CA ARG A 23 247.086 246.837 245.310 1.00 0.00 C +ATOM 24 CA ILE A 24 247.238 243.036 245.528 1.00 0.00 C +ATOM 25 CA ILE A 25 246.240 241.152 248.685 1.00 0.00 C +ATOM 26 CA ALA A 26 243.948 238.114 248.870 1.00 0.00 C +ATOM 27 CA PRO A 27 240.326 239.283 248.692 1.00 0.00 C +ATOM 28 CA ALA A 28 237.187 238.260 250.593 1.00 0.00 C +ATOM 29 CA LYS A 29 236.168 234.690 251.450 1.00 0.00 C +ATOM 30 CA GLN A 30 237.721 232.906 254.437 1.00 0.00 C +ATOM 31 CA LEU A 31 236.666 229.384 255.437 1.00 0.00 C +ATOM 32 CA PRO A 32 237.493 225.780 254.520 1.00 0.00 C +ATOM 33 CA ASN A 33 235.931 223.979 251.548 1.00 0.00 C +ATOM 34 CA PHE A 34 237.507 222.356 248.482 1.00 0.00 C +ATOM 35 CA ASP A 35 240.273 220.071 247.199 1.00 0.00 C +ATOM 36 CA LEU A 36 242.624 217.074 247.244 1.00 0.00 C +ATOM 37 CA PRO A 37 242.070 213.319 247.578 1.00 0.00 C +ATOM 38 CA LYS A 38 243.067 210.802 244.897 1.00 0.00 C +TER 39 LYS A 38 +END diff --git a/Viruses/Q65541/Q65541.dcd b/Viruses/Q65541/Q65541.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e37fd68a25b5a630ded513093d2bbfa918f918ed --- /dev/null +++ b/Viruses/Q65541/Q65541.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5326e0f85abcc225864f960cab5c42103cdda4954752611a7805eb4db6be1f2a +size 7160276 diff --git a/Viruses/Q65541/top.pdb b/Viruses/Q65541/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e780f41a2966e7b05238a3197de22ea82443d4bc --- /dev/null +++ b/Viruses/Q65541/top.pdb @@ -0,0 +1,57 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 251.435 252.825 274.507 1.00 0.00 C +ATOM 2 CA TYR A 2 248.504 254.972 275.654 1.00 0.00 C +ATOM 3 CA ASP A 3 248.113 255.125 279.441 1.00 0.00 C +ATOM 4 CA ASN A 4 248.354 254.154 283.117 1.00 0.00 C +ATOM 5 CA GLY A 5 246.301 255.369 286.088 1.00 0.00 C +ATOM 6 CA THR A 6 244.451 252.861 288.280 1.00 0.00 C +ATOM 7 CA LEU A 7 241.029 251.186 288.268 1.00 0.00 C +ATOM 8 CA ASN A 8 239.266 247.965 287.250 1.00 0.00 C +ATOM 9 CA PHE A 9 240.946 245.310 285.095 1.00 0.00 C +ATOM 10 CA THR A 10 239.408 242.831 282.645 1.00 0.00 C +ATOM 11 CA PRO A 11 241.351 243.202 279.389 1.00 0.00 C +ATOM 12 CA PRO A 12 243.777 244.891 276.985 1.00 0.00 C +ATOM 13 CA THR A 13 242.064 246.929 274.259 1.00 0.00 C +ATOM 14 CA PRO A 14 242.755 250.465 273.020 1.00 0.00 C +ATOM 15 CA LYS A 15 245.331 250.009 270.250 1.00 0.00 C +ATOM 16 CA ARG A 16 244.578 250.706 266.580 1.00 0.00 C +ATOM 17 CA PRO A 17 246.621 252.324 263.801 1.00 0.00 C +ATOM 18 CA GLN A 18 246.842 255.250 261.370 1.00 0.00 C +ATOM 19 CA PRO A 19 246.778 258.357 259.166 1.00 0.00 C +ATOM 20 CA ALA A 20 246.848 259.774 255.630 1.00 0.00 C +ATOM 21 CA ASP A 21 246.383 260.298 251.885 1.00 0.00 C +ATOM 22 CA THR A 22 248.338 259.867 248.643 1.00 0.00 C +ATOM 23 CA PRO A 23 252.037 259.105 248.141 1.00 0.00 C +ATOM 24 CA PRO A 24 253.020 260.241 244.639 1.00 0.00 C +ATOM 25 CA PRO A 25 252.624 259.946 240.861 1.00 0.00 C +ATOM 26 CA ASP A 26 250.909 260.125 237.464 1.00 0.00 C +ATOM 27 CA PRO A 27 251.340 258.323 234.135 1.00 0.00 C +ATOM 28 CA GLY A 28 251.790 255.245 231.935 1.00 0.00 C +ATOM 29 CA PRO A 29 253.966 254.751 228.847 1.00 0.00 C +ATOM 30 CA ASN A 30 252.306 255.736 225.562 1.00 0.00 C +ATOM 31 CA LEU A 31 254.307 258.276 223.546 1.00 0.00 C +ATOM 32 CA PRO A 32 252.408 258.573 220.257 1.00 0.00 C +ATOM 33 CA VAL A 33 251.843 255.255 218.473 1.00 0.00 C +ATOM 34 CA GLY A 34 249.587 252.528 219.884 1.00 0.00 C +ATOM 35 CA THR A 35 248.049 249.043 219.820 1.00 0.00 C +ATOM 36 CA GLN A 36 246.804 246.565 222.432 1.00 0.00 C +ATOM 37 CA GLY A 37 246.773 246.070 226.210 1.00 0.00 C +ATOM 38 CA GLY A 38 249.467 245.229 228.769 1.00 0.00 C +ATOM 39 CA ASP A 39 251.918 246.931 231.137 1.00 0.00 C +ATOM 40 CA HIS A 40 255.607 247.765 231.599 1.00 0.00 C +ATOM 41 CA PRO A 41 258.488 245.304 231.999 1.00 0.00 C +ATOM 42 CA GLY A 42 259.369 241.868 233.391 1.00 0.00 C +ATOM 43 CA HIS A 43 260.570 239.767 236.333 1.00 0.00 C +ATOM 44 CA PRO A 44 263.011 241.052 238.962 1.00 0.00 C +ATOM 45 CA ASN A 45 260.808 242.572 241.674 1.00 0.00 C +ATOM 46 CA ILE A 46 257.897 244.889 240.853 1.00 0.00 C +ATOM 47 CA SER A 47 256.077 245.642 237.592 1.00 0.00 C +ATOM 48 CA ASN A 48 252.271 245.697 237.749 1.00 0.00 C +ATOM 49 CA HIS A 49 250.251 242.569 238.558 1.00 0.00 C +ATOM 50 CA ARG A 50 251.090 238.907 239.194 1.00 0.00 C +ATOM 51 CA SER A 51 252.770 235.848 240.723 1.00 0.00 C +ATOM 52 CA ASP A 52 255.851 234.639 242.611 1.00 0.00 C +ATOM 53 CA PRO A 53 257.319 236.870 245.328 1.00 0.00 C +TER 54 PRO A 53 +END diff --git a/Viruses/Q65548/Q65548.dcd b/Viruses/Q65548/Q65548.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b4e6b3a54ae365f895085067e4c31d18def683ac --- /dev/null +++ b/Viruses/Q65548/Q65548.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1e74eba26f52a2c2dd36ba30717ead420b638d74eb087a279ff8235c311bd587 +size 14840276 diff --git a/Viruses/Q65548/top.pdb b/Viruses/Q65548/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8381ce75325b69a030d2c99891d4ecc0a37b3547 --- /dev/null +++ b/Viruses/Q65548/top.pdb @@ -0,0 +1,121 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 261.264 218.941 294.876 1.00 0.00 C +ATOM 2 CA ALA A 2 264.908 219.907 294.325 1.00 0.00 C +ATOM 3 CA ASP A 3 267.030 219.219 291.236 1.00 0.00 C +ATOM 4 CA PRO A 4 265.494 217.577 288.160 1.00 0.00 C +ATOM 5 CA GLU A 5 266.189 216.000 284.762 1.00 0.00 C +ATOM 6 CA ILE A 6 265.625 215.374 281.046 1.00 0.00 C +ATOM 7 CA ALA A 7 264.890 216.731 277.563 1.00 0.00 C +ATOM 8 CA THR A 8 265.674 219.230 274.797 1.00 0.00 C +ATOM 9 CA LEU A 9 265.543 222.288 272.527 1.00 0.00 C +ATOM 10 CA SER A 10 267.546 223.414 269.487 1.00 0.00 C +ATOM 11 CA THR A 11 266.024 226.421 267.712 1.00 0.00 C +ATOM 12 CA ALA A 12 263.907 226.705 264.556 1.00 0.00 C +ATOM 13 CA SER A 13 260.439 225.557 265.637 1.00 0.00 C +ATOM 14 CA GLU A 14 258.402 224.681 268.735 1.00 0.00 C +ATOM 15 CA SER A 15 257.395 225.499 272.317 1.00 0.00 C +ATOM 16 CA ASP A 16 255.148 222.774 273.746 1.00 0.00 C +ATOM 17 CA ASP A 17 255.794 219.333 272.244 1.00 0.00 C +ATOM 18 CA LEU A 18 254.062 218.244 269.030 1.00 0.00 C +ATOM 19 CA SER A 19 254.167 215.630 266.260 1.00 0.00 C +ATOM 20 CA LEU A 20 257.376 215.197 264.251 1.00 0.00 C +ATOM 21 CA PHE A 21 259.463 218.029 262.788 1.00 0.00 C +ATOM 22 CA GLY A 22 261.188 217.981 259.392 1.00 0.00 C +ATOM 23 CA SER A 23 262.360 219.187 255.973 1.00 0.00 C +ATOM 24 CA ASP A 24 265.331 219.597 253.624 1.00 0.00 C +ATOM 25 CA ARG A 25 267.851 222.066 252.185 1.00 0.00 C +ATOM 26 CA GLU A 26 269.508 223.301 248.984 1.00 0.00 C +ATOM 27 CA GLU A 27 271.214 225.887 246.767 1.00 0.00 C +ATOM 28 CA ASP A 28 269.846 229.442 246.845 1.00 0.00 C +ATOM 29 CA ASP A 29 269.264 231.232 243.532 1.00 0.00 C +ATOM 30 CA GLU A 30 272.316 231.128 241.254 1.00 0.00 C +ATOM 31 CA ALA A 31 275.738 231.857 239.746 1.00 0.00 C +ATOM 32 CA PRO A 32 278.894 230.176 241.062 1.00 0.00 C +ATOM 33 CA SER A 33 281.825 228.850 239.022 1.00 0.00 C +ATOM 34 CA LEU A 34 281.604 228.132 235.287 1.00 0.00 C +ATOM 35 CA ALA A 35 282.527 229.637 231.910 1.00 0.00 C +ATOM 36 CA PRO A 36 280.567 232.544 230.419 1.00 0.00 C +ATOM 37 CA ALA A 37 279.635 235.452 232.698 1.00 0.00 C +ATOM 38 CA LEU A 38 282.775 236.955 234.247 1.00 0.00 C +ATOM 39 CA ARG A 39 284.371 237.606 237.645 1.00 0.00 C +ATOM 40 CA SER A 40 284.816 239.305 241.026 1.00 0.00 C +ATOM 41 CA VAL A 41 283.172 240.546 244.230 1.00 0.00 C +ATOM 42 CA VAL A 42 280.109 239.657 246.315 1.00 0.00 C +ATOM 43 CA GLY A 43 277.312 242.226 246.015 1.00 0.00 C +ATOM 44 CA ASP A 44 274.272 243.360 244.019 1.00 0.00 C +ATOM 45 CA VAL A 45 271.232 242.602 246.188 1.00 0.00 C +ATOM 46 CA ARG A 46 270.343 243.714 249.722 1.00 0.00 C +ATOM 47 CA GLU A 47 269.771 243.567 253.486 1.00 0.00 C +ATOM 48 CA ARG A 48 267.015 244.995 255.694 1.00 0.00 C +ATOM 49 CA GLU A 49 264.327 247.693 255.588 1.00 0.00 C +ATOM 50 CA LEU A 50 264.921 251.387 254.871 1.00 0.00 C +ATOM 51 CA GLU A 51 263.318 252.372 251.557 1.00 0.00 C +ATOM 52 CA GLY A 52 265.285 251.415 248.438 1.00 0.00 C +ATOM 53 CA ALA A 53 264.291 249.857 245.106 1.00 0.00 C +ATOM 54 CA GLU A 54 264.239 247.384 242.208 1.00 0.00 C +ATOM 55 CA ASP A 55 264.502 243.962 243.862 1.00 0.00 C +ATOM 56 CA GLU A 56 260.955 242.573 243.953 1.00 0.00 C +ATOM 57 CA PRO A 57 260.294 239.069 242.609 1.00 0.00 C +ATOM 58 CA VAL A 58 256.686 238.220 243.493 1.00 0.00 C +ATOM 59 CA PRO A 59 253.241 239.155 242.162 1.00 0.00 C +ATOM 60 CA ALA A 60 252.189 236.411 239.737 1.00 0.00 C +ATOM 61 CA GLU A 61 249.705 237.032 236.916 1.00 0.00 C +ATOM 62 CA PRO A 62 249.659 238.342 233.339 1.00 0.00 C +ATOM 63 CA PRO A 63 252.057 240.750 231.617 1.00 0.00 C +ATOM 64 CA GLY A 64 253.769 244.147 231.835 1.00 0.00 C +ATOM 65 CA GLU A 65 254.588 245.624 235.249 1.00 0.00 C +ATOM 66 CA GLY A 66 252.340 246.633 238.155 1.00 0.00 C +ATOM 67 CA ALA A 67 254.614 247.103 241.175 1.00 0.00 C +ATOM 68 CA ALA A 68 253.297 249.714 243.618 1.00 0.00 C +ATOM 69 CA SER A 69 250.678 252.342 242.751 1.00 0.00 C +ATOM 70 CA GLY A 70 248.652 252.995 239.591 1.00 0.00 C +ATOM 71 CA ASP A 71 244.927 253.791 239.658 1.00 0.00 C +ATOM 72 CA GLY A 72 242.138 251.227 240.071 1.00 0.00 C +ATOM 73 CA GLY A 73 239.969 250.710 243.160 1.00 0.00 C +ATOM 74 CA PRO A 74 236.370 251.796 242.537 1.00 0.00 C +ATOM 75 CA ALA A 75 236.558 255.518 241.744 1.00 0.00 C +ATOM 76 CA GLU A 76 237.718 258.860 240.330 1.00 0.00 C +ATOM 77 CA ALA A 77 237.215 261.561 237.690 1.00 0.00 C +ATOM 78 CA PRO A 78 238.721 265.059 237.585 1.00 0.00 C +ATOM 79 CA PRO A 79 239.466 265.735 233.910 1.00 0.00 C +ATOM 80 CA ALA A 80 242.775 263.948 233.300 1.00 0.00 C +ATOM 81 CA ARG A 81 243.535 260.343 234.272 1.00 0.00 C +ATOM 82 CA ARG A 82 246.086 259.555 236.989 1.00 0.00 C +ATOM 83 CA ALA A 83 246.128 261.758 240.097 1.00 0.00 C +ATOM 84 CA ARG A 84 248.543 264.551 241.039 1.00 0.00 C +ATOM 85 CA VAL A 85 248.247 267.207 238.324 1.00 0.00 C +ATOM 86 CA ARG A 86 245.211 269.166 237.115 1.00 0.00 C +ATOM 87 CA PRO A 87 243.701 272.183 235.343 1.00 0.00 C +ATOM 88 CA ARG A 88 240.938 274.798 235.552 1.00 0.00 C +ATOM 89 CA ARG A 89 239.352 277.183 238.064 1.00 0.00 C +ATOM 90 CA PRO A 90 237.028 279.336 240.181 1.00 0.00 C +ATOM 91 CA ARG A 91 233.349 280.308 240.378 1.00 0.00 C +ATOM 92 CA ARG A 92 230.487 279.975 237.885 1.00 0.00 C +ATOM 93 CA ARG A 93 228.637 276.649 238.055 1.00 0.00 C +ATOM 94 CA PRO A 94 226.963 273.261 238.540 1.00 0.00 C +ATOM 95 CA ARG A 95 223.784 273.925 240.531 1.00 0.00 C +ATOM 96 CA ARG A 96 221.860 270.773 241.468 1.00 0.00 C +ATOM 97 CA ARG A 97 222.345 268.518 244.501 1.00 0.00 C +ATOM 98 CA GLN A 98 221.035 270.269 247.621 1.00 0.00 C +ATOM 99 CA PRO A 99 220.284 273.998 247.839 1.00 0.00 C +ATOM 100 CA ALA A 100 219.840 277.755 247.384 1.00 0.00 C +ATOM 101 CA GLY A 101 218.968 281.460 247.561 1.00 0.00 C +ATOM 102 CA GLU A 102 215.964 283.604 246.618 1.00 0.00 C +ATOM 103 CA GLN A 103 213.646 286.582 246.092 1.00 0.00 C +ATOM 104 CA ARG A 104 209.914 286.867 246.801 1.00 0.00 C +ATOM 105 CA SER A 105 206.919 289.198 246.469 1.00 0.00 C +ATOM 106 CA ARG A 106 206.580 291.144 249.727 1.00 0.00 C +ATOM 107 CA GLY A 107 204.279 293.216 251.946 1.00 0.00 C +ATOM 108 CA PRO A 108 203.635 295.142 255.170 1.00 0.00 C +ATOM 109 CA ALA A 109 207.029 295.632 256.829 1.00 0.00 C +ATOM 110 CA ALA A 110 208.464 297.304 259.938 1.00 0.00 C +ATOM 111 CA LYS A 111 207.870 295.413 263.192 1.00 0.00 C +ATOM 112 CA ARG A 112 208.545 292.185 265.099 1.00 0.00 C +ATOM 113 CA GLU A 113 212.180 291.046 265.024 1.00 0.00 C +ATOM 114 CA ALA A 114 215.418 290.392 263.126 1.00 0.00 C +ATOM 115 CA ALA A 115 218.591 288.302 263.411 1.00 0.00 C +ATOM 116 CA LEU A 116 222.063 287.112 264.432 1.00 0.00 C +ATOM 117 CA ALA A 117 221.921 283.756 266.231 1.00 0.00 C +TER 118 ALA A 117 +END diff --git a/Viruses/Q66544/Q66544.dcd b/Viruses/Q66544/Q66544.dcd new file mode 100644 index 0000000000000000000000000000000000000000..7c10761d9db2b96e42d455b9d991b1cd4700c946 --- /dev/null +++ b/Viruses/Q66544/Q66544.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4a2c8a7669f2f3f2753522e566fb4b139d9987e0b3d8d9087b8873ddba9ed2d4 +size 4880276 diff --git a/Viruses/Q66544/top.pdb b/Viruses/Q66544/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a0400c3a249e94139689972b6729e42cff77e789 --- /dev/null +++ b/Viruses/Q66544/top.pdb @@ -0,0 +1,38 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA SER A 1 251.009 238.363 229.001 1.00 0.00 C +ATOM 2 CA ARG A 2 248.875 240.262 226.479 1.00 0.00 C +ATOM 3 CA LEU A 3 246.773 243.327 227.319 1.00 0.00 C +ATOM 4 CA THR A 4 247.777 246.801 228.516 1.00 0.00 C +ATOM 5 CA THR A 5 248.781 249.508 231.003 1.00 0.00 C +ATOM 6 CA THR A 6 249.918 248.767 234.563 1.00 0.00 C +ATOM 7 CA GLY A 7 253.080 250.825 235.093 1.00 0.00 C +ATOM 8 CA PRO A 8 253.129 253.156 238.107 1.00 0.00 C +ATOM 9 CA PRO A 9 252.551 256.895 237.660 1.00 0.00 C +ATOM 10 CA ASP A 10 252.649 258.709 241.009 1.00 0.00 C +ATOM 11 CA PRO A 11 253.028 261.031 244.006 1.00 0.00 C +ATOM 12 CA GLY A 12 251.923 260.728 247.640 1.00 0.00 C +ATOM 13 CA LEU A 13 250.077 259.496 250.736 1.00 0.00 C +ATOM 14 CA GLY A 14 247.986 260.806 253.639 1.00 0.00 C +ATOM 15 CA GLN A 15 245.789 258.757 255.982 1.00 0.00 C +ATOM 16 CA PRO A 16 245.044 255.075 256.622 1.00 0.00 C +ATOM 17 CA SER A 17 244.991 252.074 254.275 1.00 0.00 C +ATOM 18 CA ARG A 18 244.432 253.101 250.649 1.00 0.00 C +ATOM 19 CA PRO A 19 247.401 253.177 248.263 1.00 0.00 C +ATOM 20 CA ALA A 20 250.685 252.950 246.345 1.00 0.00 C +ATOM 21 CA PRO A 21 252.272 249.551 247.008 1.00 0.00 C +ATOM 22 CA ARG A 22 252.221 245.945 248.239 1.00 0.00 C +ATOM 23 CA LEU A 23 254.002 246.054 251.605 1.00 0.00 C +ATOM 24 CA ALA A 24 254.188 245.838 255.404 1.00 0.00 C +ATOM 25 CA PRO A 25 251.228 244.077 257.035 1.00 0.00 C +ATOM 26 CA PRO A 26 247.464 243.664 257.455 1.00 0.00 C +ATOM 27 CA ARG A 27 246.016 242.329 260.717 1.00 0.00 C +ATOM 28 CA GLY A 28 248.490 242.358 263.614 1.00 0.00 C +ATOM 29 CA GLN A 29 251.064 244.789 265.020 1.00 0.00 C +ATOM 30 CA PRO A 30 253.619 244.896 267.845 1.00 0.00 C +ATOM 31 CA PRO A 31 254.002 245.376 271.605 1.00 0.00 C +ATOM 32 CA GLY A 32 253.037 248.885 272.734 1.00 0.00 C +ATOM 33 CA LEU A 33 249.564 250.289 273.430 1.00 0.00 C +ATOM 34 CA VAL A 34 246.935 252.138 271.383 1.00 0.00 C +TER 35 VAL A 34 +END diff --git a/Viruses/Q66546/Q66546.dcd b/Viruses/Q66546/Q66546.dcd new file mode 100644 index 0000000000000000000000000000000000000000..ff1bd71a2380cee5ba39a2f6684bc1c8b24021f5 --- /dev/null +++ b/Viruses/Q66546/Q66546.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:80b90c82dc6f1be21b727e243fb8a80676c0f85f20aa5338bd73ade3cb23c2de +size 5480276 diff --git a/Viruses/Q66546/top.pdb b/Viruses/Q66546/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8351547ce8f2ba2464985e93cb7bff966460d8d4 --- /dev/null +++ b/Viruses/Q66546/top.pdb @@ -0,0 +1,43 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLY A 1 219.011 236.892 265.718 1.00 0.00 C +ATOM 2 CA ALA A 2 222.634 235.735 265.945 1.00 0.00 C +ATOM 3 CA ASN A 3 223.369 234.197 262.538 1.00 0.00 C +ATOM 4 CA ARG A 4 222.730 236.445 259.528 1.00 0.00 C +ATOM 5 CA PRO A 5 224.341 237.736 256.327 1.00 0.00 C +ATOM 6 CA PHE A 6 226.014 238.232 252.939 1.00 0.00 C +ATOM 7 CA ARG A 7 226.557 241.115 250.509 1.00 0.00 C +ATOM 8 CA PRO A 8 226.568 244.822 251.392 1.00 0.00 C +ATOM 9 CA GLY A 9 224.970 248.179 250.562 1.00 0.00 C +ATOM 10 CA ARG A 10 225.738 251.530 252.204 1.00 0.00 C +ATOM 11 CA ARG A 11 226.893 255.120 252.748 1.00 0.00 C +ATOM 12 CA LEU A 12 229.761 257.566 252.194 1.00 0.00 C +ATOM 13 CA ASN A 13 233.168 259.187 252.723 1.00 0.00 C +ATOM 14 CA ALA A 14 235.861 256.517 252.356 1.00 0.00 C +ATOM 15 CA MET A 15 235.612 254.563 249.095 1.00 0.00 C +ATOM 16 CA PRO A 16 238.732 252.640 248.055 1.00 0.00 C +ATOM 17 CA LYS A 17 242.325 252.015 246.953 1.00 0.00 C +ATOM 18 CA ALA A 18 245.988 251.133 247.517 1.00 0.00 C +ATOM 19 CA GLY A 19 248.797 252.030 245.105 1.00 0.00 C +ATOM 20 CA CYS A 20 248.207 251.012 241.481 1.00 0.00 C +ATOM 21 CA ARG A 21 251.007 252.554 239.407 1.00 0.00 C +ATOM 22 CA SER A 22 252.727 255.942 239.686 1.00 0.00 C +ATOM 23 CA TRP A 23 256.029 257.480 240.802 1.00 0.00 C +ATOM 24 CA PRO A 24 258.951 259.631 239.639 1.00 0.00 C +ATOM 25 CA ALA A 25 262.264 257.886 238.935 1.00 0.00 C +ATOM 26 CA SER A 26 265.315 259.105 240.865 1.00 0.00 C +ATOM 27 CA THR A 27 267.130 256.408 242.852 1.00 0.00 C +ATOM 28 CA GLY A 28 264.488 254.147 244.409 1.00 0.00 C +ATOM 29 CA PRO A 29 263.492 253.365 248.003 1.00 0.00 C +ATOM 30 CA SER A 30 266.417 253.916 250.381 1.00 0.00 C +ATOM 31 CA THR A 31 269.619 252.634 252.000 1.00 0.00 C +ATOM 32 CA PRO A 32 272.877 250.664 252.128 1.00 0.00 C +ATOM 33 CA ARG A 33 276.073 250.814 254.197 1.00 0.00 C +ATOM 34 CA SER A 34 279.355 252.614 253.488 1.00 0.00 C +ATOM 35 CA ARG A 35 282.079 252.077 250.878 1.00 0.00 C +ATOM 36 CA GLU A 36 285.265 250.392 249.643 1.00 0.00 C +ATOM 37 CA GLU A 37 285.289 246.588 249.852 1.00 0.00 C +ATOM 38 CA ARG A 38 282.889 244.736 252.159 1.00 0.00 C +ATOM 39 CA ALA A 39 281.456 242.378 254.786 1.00 0.00 C +TER 40 ALA A 39 +END diff --git a/Viruses/Q66550/Q66550.dcd b/Viruses/Q66550/Q66550.dcd new file mode 100644 index 0000000000000000000000000000000000000000..ae6fc83020c6242d6d7da1c054db4d007d0852b1 --- /dev/null +++ b/Viruses/Q66550/Q66550.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:857c72f949b6d158ff4a142416fbbe8bf3608d5018e4ccd39b4aab032e23bcc7 +size 14960276 diff --git a/Viruses/Q66550/top.pdb b/Viruses/Q66550/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..fe75a0336340256ab6726d065b0df0a0e92b5f44 --- /dev/null +++ b/Viruses/Q66550/top.pdb @@ -0,0 +1,122 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 251.437 235.857 267.048 1.00 0.00 C +ATOM 2 CA GLY A 2 247.794 236.515 266.146 1.00 0.00 C +ATOM 3 CA SER A 3 244.867 234.231 266.998 1.00 0.00 C +ATOM 4 CA LEU A 4 241.817 232.950 268.890 1.00 0.00 C +ATOM 5 CA GLU A 5 239.202 231.175 266.762 1.00 0.00 C +ATOM 6 CA MET A 6 240.953 228.367 264.873 1.00 0.00 C +ATOM 7 CA VAL A 7 239.196 224.987 264.918 1.00 0.00 C +ATOM 8 CA PRO A 8 240.776 221.539 265.274 1.00 0.00 C +ATOM 9 CA MET A 9 241.503 220.187 261.787 1.00 0.00 C +ATOM 10 CA GLY A 10 242.295 220.700 258.096 1.00 0.00 C +ATOM 11 CA ALA A 11 245.103 218.486 256.779 1.00 0.00 C +ATOM 12 CA GLY A 12 246.724 215.707 254.738 1.00 0.00 C +ATOM 13 CA PRO A 13 249.963 214.442 253.182 1.00 0.00 C +ATOM 14 CA PRO A 14 252.426 216.064 250.769 1.00 0.00 C +ATOM 15 CA ASN A 15 254.555 216.726 247.680 1.00 0.00 C +ATOM 16 CA PRO A 16 258.019 216.254 246.165 1.00 0.00 C +ATOM 17 CA GLY A 17 258.328 218.441 243.061 1.00 0.00 C +ATOM 18 CA GLY A 18 259.274 220.484 239.987 1.00 0.00 C +ATOM 19 CA ASP A 19 260.204 223.108 237.385 1.00 0.00 C +ATOM 20 CA PRO A 20 261.091 221.292 234.155 1.00 0.00 C +ATOM 21 CA ASP A 21 264.590 221.789 232.730 1.00 0.00 C +ATOM 22 CA GLY A 22 264.606 225.342 231.355 1.00 0.00 C +ATOM 23 CA ASP A 23 262.966 228.656 232.273 1.00 0.00 C +ATOM 24 CA ASP A 24 263.170 232.064 233.964 1.00 0.00 C +ATOM 25 CA GLY A 25 262.073 233.159 237.445 1.00 0.00 C +ATOM 26 CA GLY A 26 258.985 231.805 239.219 1.00 0.00 C +ATOM 27 CA ASN A 27 257.994 228.513 240.862 1.00 0.00 C +ATOM 28 CA ASN A 28 254.523 227.282 241.835 1.00 0.00 C +ATOM 29 CA SER A 29 253.324 228.634 245.189 1.00 0.00 C +ATOM 30 CA GLN A 30 254.915 229.540 248.530 1.00 0.00 C +ATOM 31 CA TYR A 31 256.540 231.321 251.481 1.00 0.00 C +ATOM 32 CA PRO A 32 258.589 232.725 254.370 1.00 0.00 C +ATOM 33 CA SER A 33 261.332 235.133 255.462 1.00 0.00 C +ATOM 34 CA ALA A 34 262.999 237.905 253.449 1.00 0.00 C +ATOM 35 CA SER A 35 262.792 239.985 250.264 1.00 0.00 C +ATOM 36 CA GLY A 36 264.061 239.130 246.775 1.00 0.00 C +ATOM 37 CA SER A 37 265.596 240.809 243.718 1.00 0.00 C +ATOM 38 CA SER A 38 269.396 240.681 243.470 1.00 0.00 C +ATOM 39 CA GLY A 39 273.194 240.946 243.609 1.00 0.00 C +ATOM 40 CA ASN A 40 274.886 242.811 240.749 1.00 0.00 C +ATOM 41 CA THR A 41 278.657 243.256 240.439 1.00 0.00 C +ATOM 42 CA PRO A 42 281.926 241.361 240.924 1.00 0.00 C +ATOM 43 CA THR A 43 282.670 237.892 239.534 1.00 0.00 C +ATOM 44 CA PRO A 44 280.876 235.427 237.250 1.00 0.00 C +ATOM 45 CA PRO A 45 278.744 234.255 234.318 1.00 0.00 C +ATOM 46 CA ASN A 46 277.294 234.688 230.821 1.00 0.00 C +ATOM 47 CA ASP A 47 276.552 237.002 227.887 1.00 0.00 C +ATOM 48 CA GLU A 48 273.212 238.836 227.852 1.00 0.00 C +ATOM 49 CA GLU A 49 269.714 240.144 228.605 1.00 0.00 C +ATOM 50 CA ARG A 50 267.118 240.785 231.320 1.00 0.00 C +ATOM 51 CA GLU A 51 263.387 240.022 231.214 1.00 0.00 C +ATOM 52 CA SER A 52 260.475 241.862 229.587 1.00 0.00 C +ATOM 53 CA ASN A 53 256.714 242.291 229.158 1.00 0.00 C +ATOM 54 CA GLU A 54 254.888 245.593 229.690 1.00 0.00 C +ATOM 55 CA GLU A 55 255.056 249.399 229.695 1.00 0.00 C +ATOM 56 CA PRO A 56 256.499 252.036 232.036 1.00 0.00 C +ATOM 57 CA PRO A 57 257.621 254.496 234.720 1.00 0.00 C +ATOM 58 CA PRO A 58 258.852 257.769 236.234 1.00 0.00 C +ATOM 59 CA PRO A 59 259.092 261.566 236.440 1.00 0.00 C +ATOM 60 CA TYR A 60 260.764 264.072 238.773 1.00 0.00 C +ATOM 61 CA GLU A 61 260.383 262.857 242.364 1.00 0.00 C +ATOM 62 CA ASP A 62 257.958 261.996 245.174 1.00 0.00 C +ATOM 63 CA PRO A 63 254.464 260.613 244.543 1.00 0.00 C +ATOM 64 CA TYR A 64 252.281 261.404 247.564 1.00 0.00 C +ATOM 65 CA TRP A 65 250.252 260.234 250.569 1.00 0.00 C +ATOM 66 CA GLY A 66 248.281 261.013 253.735 1.00 0.00 C +ATOM 67 CA ASN A 67 245.897 258.451 255.241 1.00 0.00 C +ATOM 68 CA GLY A 68 245.211 258.016 258.963 1.00 0.00 C +ATOM 69 CA ASP A 69 243.285 256.015 261.571 1.00 0.00 C +ATOM 70 CA ARG A 70 240.727 253.317 260.739 1.00 0.00 C +ATOM 71 CA HIS A 71 238.582 251.116 258.487 1.00 0.00 C +ATOM 72 CA SER A 72 237.700 247.948 256.563 1.00 0.00 C +ATOM 73 CA ASP A 73 237.917 248.301 252.775 1.00 0.00 C +ATOM 74 CA TYR A 74 236.488 246.864 249.548 1.00 0.00 C +ATOM 75 CA GLN A 75 234.786 246.173 246.211 1.00 0.00 C +ATOM 76 CA PRO A 76 231.852 247.722 244.338 1.00 0.00 C +ATOM 77 CA LEU A 77 229.664 250.327 242.622 1.00 0.00 C +ATOM 78 CA GLY A 78 228.445 253.133 244.892 1.00 0.00 C +ATOM 79 CA THR A 79 225.622 252.083 247.226 1.00 0.00 C +ATOM 80 CA GLN A 80 223.579 253.566 250.079 1.00 0.00 C +ATOM 81 CA ASP A 81 219.933 252.924 249.178 1.00 0.00 C +ATOM 82 CA PRO A 82 219.760 253.136 245.378 1.00 0.00 C +ATOM 83 CA SER A 83 220.297 256.467 243.608 1.00 0.00 C +ATOM 84 CA LEU A 84 220.141 260.192 242.821 1.00 0.00 C +ATOM 85 CA TYR A 85 221.521 262.410 245.594 1.00 0.00 C +ATOM 86 CA LEU A 86 223.633 265.449 244.691 1.00 0.00 C +ATOM 87 CA GLY A 87 227.143 266.676 245.522 1.00 0.00 C +ATOM 88 CA LEU A 88 230.708 267.990 245.807 1.00 0.00 C +ATOM 89 CA GLN A 89 232.762 266.658 242.888 1.00 0.00 C +ATOM 90 CA HIS A 90 235.586 264.116 242.608 1.00 0.00 C +ATOM 91 CA ASP A 91 238.817 264.590 244.570 1.00 0.00 C +ATOM 92 CA GLY A 92 241.411 267.380 244.485 1.00 0.00 C +ATOM 93 CA ASN A 93 244.303 269.355 242.985 1.00 0.00 C +ATOM 94 CA ASP A 94 247.221 269.825 245.390 1.00 0.00 C +ATOM 95 CA GLY A 95 249.129 267.930 248.089 1.00 0.00 C +ATOM 96 CA LEU A 96 252.905 268.043 248.579 1.00 0.00 C +ATOM 97 CA PRO A 97 253.730 270.345 251.501 1.00 0.00 C +ATOM 98 CA PRO A 98 253.500 273.092 254.131 1.00 0.00 C +ATOM 99 CA PRO A 99 252.046 276.037 256.063 1.00 0.00 C +ATOM 100 CA PRO A 100 251.109 277.621 259.400 1.00 0.00 C +ATOM 101 CA TYR A 101 247.448 276.732 259.967 1.00 0.00 C +ATOM 102 CA SER A 102 245.938 278.184 263.149 1.00 0.00 C +ATOM 103 CA PRO A 103 247.439 277.083 266.473 1.00 0.00 C +ATOM 104 CA ARG A 104 247.921 275.881 270.056 1.00 0.00 C +ATOM 105 CA ASP A 105 247.244 273.953 273.272 1.00 0.00 C +ATOM 106 CA ASP A 106 243.639 272.975 274.023 1.00 0.00 C +ATOM 107 CA SER A 107 241.425 274.642 276.637 1.00 0.00 C +ATOM 108 CA SER A 108 238.846 277.447 276.610 1.00 0.00 C +ATOM 109 CA GLN A 109 237.539 278.775 273.288 1.00 0.00 C +ATOM 110 CA HIS A 110 234.559 281.067 273.909 1.00 0.00 C +ATOM 111 CA ILE A 111 235.102 284.150 271.737 1.00 0.00 C +ATOM 112 CA TYR A 112 237.080 287.110 273.094 1.00 0.00 C +ATOM 113 CA GLU A 113 238.174 289.831 275.526 1.00 0.00 C +ATOM 114 CA GLU A 114 241.565 289.986 277.258 1.00 0.00 C +ATOM 115 CA ALA A 115 245.105 288.683 276.725 1.00 0.00 C +ATOM 116 CA GLY A 116 245.475 285.519 274.636 1.00 0.00 C +ATOM 117 CA ARG A 117 246.057 284.055 271.166 1.00 0.00 C +ATOM 118 CA GLY A 118 248.238 284.046 268.043 1.00 0.00 C +TER 119 GLY A 118 +END diff --git a/Viruses/Q66741/Q66741.dcd b/Viruses/Q66741/Q66741.dcd new file mode 100644 index 0000000000000000000000000000000000000000..5f983a5ab75cb493feab7da12b7c7e77d498a9a7 --- /dev/null +++ b/Viruses/Q66741/Q66741.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:20bcefaeddb09ff2f55ab5a2f3d5216e2326cb9d02f3f9ea9bba32ebdad4e893 +size 4400276 diff --git a/Viruses/Q66741/top.pdb b/Viruses/Q66741/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d2f48ff07992a04257f98dbe29ec8327ccebc934 --- /dev/null +++ b/Viruses/Q66741/top.pdb @@ -0,0 +1,34 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 240.353 235.147 244.261 1.00 0.00 C +ATOM 2 CA ALA A 2 243.338 237.490 244.600 1.00 0.00 C +ATOM 3 CA GLU A 3 242.290 241.139 244.283 1.00 0.00 C +ATOM 4 CA SER A 4 239.647 243.858 243.909 1.00 0.00 C +ATOM 5 CA LYS A 5 240.706 247.224 242.472 1.00 0.00 C +ATOM 6 CA GLU A 6 241.729 250.465 240.751 1.00 0.00 C +ATOM 7 CA ALA A 7 240.565 253.430 238.660 1.00 0.00 C +ATOM 8 CA ARG A 8 237.375 255.510 238.551 1.00 0.00 C +ATOM 9 CA ASP A 9 237.581 259.180 237.548 1.00 0.00 C +ATOM 10 CA GLN A 10 237.088 261.838 240.233 1.00 0.00 C +ATOM 11 CA GLU A 11 238.189 263.441 243.509 1.00 0.00 C +ATOM 12 CA MET A 12 241.362 262.695 245.482 1.00 0.00 C +ATOM 13 CA ASN A 13 242.143 260.084 248.144 1.00 0.00 C +ATOM 14 CA LEU A 14 245.067 258.115 246.700 1.00 0.00 C +ATOM 15 CA LYS A 15 248.465 258.080 244.978 1.00 0.00 C +ATOM 16 CA GLU A 16 251.739 256.160 245.315 1.00 0.00 C +ATOM 17 CA GLU A 17 255.455 256.864 244.856 1.00 0.00 C +ATOM 18 CA SER A 18 256.763 259.808 246.890 1.00 0.00 C +ATOM 19 CA LYS A 19 259.243 260.144 249.762 1.00 0.00 C +ATOM 20 CA GLU A 20 259.469 257.456 252.453 1.00 0.00 C +ATOM 21 CA GLU A 21 260.956 253.953 252.254 1.00 0.00 C +ATOM 22 CA LYS A 22 261.619 251.099 254.689 1.00 0.00 C +ATOM 23 CA ARG A 23 261.825 248.134 257.073 1.00 0.00 C +ATOM 24 CA ARG A 24 262.619 247.724 260.777 1.00 0.00 C +ATOM 25 CA ASN A 25 262.046 244.143 261.945 1.00 0.00 C +ATOM 26 CA ASP A 26 260.240 241.052 263.247 1.00 0.00 C +ATOM 27 CA TRP A 27 259.533 238.781 266.224 1.00 0.00 C +ATOM 28 CA TRP A 28 258.658 235.381 267.705 1.00 0.00 C +ATOM 29 CA LYS A 29 256.300 232.480 266.972 1.00 0.00 C +ATOM 30 CA ILE A 30 257.639 229.126 265.758 1.00 0.00 C +TER 31 ILE A 30 +END diff --git a/Viruses/Q67285/Q67285.dcd b/Viruses/Q67285/Q67285.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c69de816e7a86e7866e8453999673de3bf838c6e --- /dev/null +++ b/Viruses/Q67285/Q67285.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9fdd23d062dcbbb037cc101da2542729307daf64e3102ff0adba9af693b4edab +size 7520276 diff --git a/Viruses/Q67285/top.pdb b/Viruses/Q67285/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3acf932208343349a2dc6da6d1035779609509e4 --- /dev/null +++ b/Viruses/Q67285/top.pdb @@ -0,0 +1,60 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLN A 1 226.498 222.202 254.344 1.00 0.00 C +ATOM 2 CA ASN A 2 230.249 222.683 253.881 1.00 0.00 C +ATOM 3 CA ALA A 3 230.648 226.404 253.168 1.00 0.00 C +ATOM 4 CA ILE A 4 232.848 226.598 250.063 1.00 0.00 C +ATOM 5 CA SER A 5 231.188 229.260 247.902 1.00 0.00 C +ATOM 6 CA THR A 6 232.802 232.638 247.194 1.00 0.00 C +ATOM 7 CA THR A 7 234.903 235.815 247.110 1.00 0.00 C +ATOM 8 CA PHE A 8 235.649 238.161 250.018 1.00 0.00 C +ATOM 9 CA PRO A 9 234.551 237.821 253.651 1.00 0.00 C +ATOM 10 CA TYR A 10 234.247 239.812 256.885 1.00 0.00 C +ATOM 11 CA THR A 11 234.577 240.830 260.542 1.00 0.00 C +ATOM 12 CA GLY A 12 236.586 243.756 261.927 1.00 0.00 C +ATOM 13 CA ASP A 13 234.825 246.416 264.010 1.00 0.00 C +ATOM 14 CA PRO A 14 234.612 250.146 264.759 1.00 0.00 C +ATOM 15 CA PRO A 15 232.315 251.512 262.043 1.00 0.00 C +ATOM 16 CA TYR A 16 230.316 254.579 260.988 1.00 0.00 C +ATOM 17 CA SER A 17 227.707 253.575 258.399 1.00 0.00 C +ATOM 18 CA HIS A 18 229.511 252.855 255.121 1.00 0.00 C +ATOM 19 CA GLY A 19 232.709 250.893 255.787 1.00 0.00 C +ATOM 20 CA THR A 20 236.174 251.735 254.445 1.00 0.00 C +ATOM 21 CA GLY A 21 239.141 249.384 254.015 1.00 0.00 C +ATOM 22 CA THR A 22 241.918 249.277 256.621 1.00 0.00 C +ATOM 23 CA GLY A 23 245.706 249.036 256.288 1.00 0.00 C +ATOM 24 CA TYR A 24 249.309 248.063 257.056 1.00 0.00 C +ATOM 25 CA THR A 25 253.016 247.594 257.799 1.00 0.00 C +ATOM 26 CA MET A 26 254.861 250.466 259.491 1.00 0.00 C +ATOM 27 CA ASP A 27 255.476 254.213 259.812 1.00 0.00 C +ATOM 28 CA THR A 28 257.185 257.593 260.220 1.00 0.00 C +ATOM 29 CA VAL A 29 258.736 259.512 257.317 1.00 0.00 C +ATOM 30 CA ASN A 30 260.816 262.132 255.494 1.00 0.00 C +ATOM 31 CA ARG A 31 263.001 265.148 254.690 1.00 0.00 C +ATOM 32 CA THR A 32 266.275 266.777 253.621 1.00 0.00 C +ATOM 33 CA HIS A 33 267.574 268.100 250.293 1.00 0.00 C +ATOM 34 CA GLN A 34 269.200 266.699 247.145 1.00 0.00 C +ATOM 35 CA TYR A 35 271.771 263.922 246.701 1.00 0.00 C +ATOM 36 CA SER A 36 275.217 262.916 247.978 1.00 0.00 C +ATOM 37 CA GLU A 37 274.959 260.540 250.945 1.00 0.00 C +ATOM 38 CA ARG A 38 271.583 258.824 251.363 1.00 0.00 C +ATOM 39 CA GLY A 39 269.031 259.910 253.975 1.00 0.00 C +ATOM 40 CA LYS A 40 267.684 256.685 255.491 1.00 0.00 C +ATOM 41 CA TRP A 41 268.375 253.229 254.045 1.00 0.00 C +ATOM 42 CA THR A 42 267.326 252.288 250.506 1.00 0.00 C +ATOM 43 CA THR A 43 267.553 252.335 246.703 1.00 0.00 C +ATOM 44 CA ASN A 44 266.628 255.242 244.421 1.00 0.00 C +ATOM 45 CA THR A 45 266.270 254.896 240.644 1.00 0.00 C +ATOM 46 CA GLU A 46 264.860 252.590 237.959 1.00 0.00 C +ATOM 47 CA THR A 47 263.012 253.633 234.795 1.00 0.00 C +ATOM 48 CA GLY A 48 260.262 256.134 235.631 1.00 0.00 C +ATOM 49 CA ALA A 49 256.561 255.236 235.510 1.00 0.00 C +ATOM 50 CA PRO A 50 253.664 253.980 233.378 1.00 0.00 C +ATOM 51 CA GLN A 51 251.741 252.849 230.289 1.00 0.00 C +ATOM 52 CA LEU A 52 248.469 252.429 228.384 1.00 0.00 C +ATOM 53 CA ASN A 53 246.522 249.553 229.949 1.00 0.00 C +ATOM 54 CA PRO A 54 248.911 246.597 230.219 1.00 0.00 C +ATOM 55 CA ILE A 55 250.785 246.501 233.535 1.00 0.00 C +ATOM 56 CA ASP A 56 253.685 248.025 235.480 1.00 0.00 C +TER 57 ASP A 56 +END diff --git a/Viruses/Q68556/Q68556.dcd b/Viruses/Q68556/Q68556.dcd new file mode 100644 index 0000000000000000000000000000000000000000..53b8069cfda8131e32bc13d54b7dc94ca00c1827 --- /dev/null +++ b/Viruses/Q68556/Q68556.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2af3a21e90076389a2deb3bb65d8800b9402f956932008e9df6e19794e4f0a1c +size 5360276 diff --git a/Viruses/Q68556/top.pdb b/Viruses/Q68556/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b7364c2c75dc7852bfb03417d675239e2affd147 --- /dev/null +++ b/Viruses/Q68556/top.pdb @@ -0,0 +1,42 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA PRO A 1 231.438 272.119 245.165 1.00 0.00 C +ATOM 2 CA SER A 2 230.621 271.102 248.745 1.00 0.00 C +ATOM 3 CA THR A 3 232.949 272.613 251.355 1.00 0.00 C +ATOM 4 CA ASN A 4 235.024 270.485 253.738 1.00 0.00 C +ATOM 5 CA SER A 5 238.328 272.160 254.627 1.00 0.00 C +ATOM 6 CA LYS A 6 240.695 274.209 256.799 1.00 0.00 C +ATOM 7 CA GLU A 7 244.258 274.947 255.670 1.00 0.00 C +ATOM 8 CA THR A 8 247.575 273.074 255.773 1.00 0.00 C +ATOM 9 CA LEU A 9 249.186 272.834 259.217 1.00 0.00 C +ATOM 10 CA ARG A 10 248.040 269.447 260.534 1.00 0.00 C +ATOM 11 CA VAL A 11 249.155 266.488 262.660 1.00 0.00 C +ATOM 12 CA SER A 12 246.663 263.868 263.860 1.00 0.00 C +ATOM 13 CA GLU A 13 247.401 260.239 262.966 1.00 0.00 C +ATOM 14 CA MET A 14 247.858 257.047 260.936 1.00 0.00 C +ATOM 15 CA PRO A 15 247.229 253.820 259.011 1.00 0.00 C +ATOM 16 CA ARG A 16 247.969 250.272 260.187 1.00 0.00 C +ATOM 17 CA LYS A 17 247.461 246.949 258.393 1.00 0.00 C +ATOM 18 CA ARG A 18 249.691 243.877 258.063 1.00 0.00 C +ATOM 19 CA ARG A 19 253.237 243.529 259.412 1.00 0.00 C +ATOM 20 CA LEU A 20 256.254 241.206 259.567 1.00 0.00 C +ATOM 21 CA HIS A 21 256.951 237.628 258.461 1.00 0.00 C +ATOM 22 CA HIS A 22 260.536 236.522 259.122 1.00 0.00 C +ATOM 23 CA GLN A 23 263.225 236.849 256.442 1.00 0.00 C +ATOM 24 CA LEU A 24 262.238 237.268 252.786 1.00 0.00 C +ATOM 25 CA ARG A 25 263.621 234.200 251.001 1.00 0.00 C +ATOM 26 CA LYS A 26 262.562 231.253 248.831 1.00 0.00 C +ATOM 27 CA HIS A 27 259.063 231.745 247.406 1.00 0.00 C +ATOM 28 CA THR A 28 258.108 230.676 243.876 1.00 0.00 C +ATOM 29 CA ASP A 29 254.736 231.027 242.138 1.00 0.00 C +ATOM 30 CA VAL A 30 251.129 232.249 242.041 1.00 0.00 C +ATOM 31 CA LEU A 31 250.835 234.634 239.084 1.00 0.00 C +ATOM 32 CA SER A 32 251.037 237.978 237.269 1.00 0.00 C +ATOM 33 CA GLN A 33 249.395 239.021 233.994 1.00 0.00 C +ATOM 34 CA SER A 34 247.682 238.314 230.665 1.00 0.00 C +ATOM 35 CA HIS A 35 250.363 237.095 228.248 1.00 0.00 C +ATOM 36 CA GLY A 36 253.961 238.323 228.495 1.00 0.00 C +ATOM 37 CA ARG A 37 256.735 240.788 227.632 1.00 0.00 C +ATOM 38 CA TYR A 38 256.790 244.146 225.833 1.00 0.00 C +TER 39 TYR A 38 +END diff --git a/Viruses/Q68628/Q68628.dcd b/Viruses/Q68628/Q68628.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f542630e028d37b39cf5f2a4e7f52714520ead55 --- /dev/null +++ b/Viruses/Q68628/Q68628.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8dd8b48276fd3f4d500bf4743986cd601ef9256855b45c5b8db772028a72b8a0 +size 14720276 diff --git a/Viruses/Q68628/top.pdb b/Viruses/Q68628/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3d42a901b1052b7e891be9931023e0450465f17d --- /dev/null +++ b/Viruses/Q68628/top.pdb @@ -0,0 +1,120 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA TYR A 1 239.951 218.784 288.562 1.00 0.00 C +ATOM 2 CA ASN A 2 238.727 221.509 286.196 1.00 0.00 C +ATOM 3 CA PRO A 3 236.358 223.880 284.384 1.00 0.00 C +ATOM 4 CA PRO A 4 235.895 226.580 281.737 1.00 0.00 C +ATOM 5 CA LEU A 5 236.179 230.300 282.512 1.00 0.00 C +ATOM 6 CA LEU A 6 239.606 231.685 281.587 1.00 0.00 C +ATOM 7 CA GLU A 7 241.784 234.698 282.418 1.00 0.00 C +ATOM 8 CA THR A 8 245.208 233.284 283.308 1.00 0.00 C +ATOM 9 CA TRP A 9 246.448 230.697 280.802 1.00 0.00 C +ATOM 10 CA LYS A 10 247.823 228.607 277.928 1.00 0.00 C +ATOM 11 CA LYS A 11 250.661 229.323 275.488 1.00 0.00 C +ATOM 12 CA PRO A 12 250.735 230.694 271.934 1.00 0.00 C +ATOM 13 CA ASP A 13 248.389 229.578 269.148 1.00 0.00 C +ATOM 14 CA TYR A 14 249.542 226.249 267.697 1.00 0.00 C +ATOM 15 CA GLU A 15 251.855 226.700 264.703 1.00 0.00 C +ATOM 16 CA PRO A 16 253.484 228.805 261.977 1.00 0.00 C +ATOM 17 CA PRO A 17 253.824 226.438 259.011 1.00 0.00 C +ATOM 18 CA VAL A 18 250.336 225.688 257.674 1.00 0.00 C +ATOM 19 CA VAL A 19 247.542 225.018 260.176 1.00 0.00 C +ATOM 20 CA HIS A 20 246.089 227.669 262.495 1.00 0.00 C +ATOM 21 CA GLY A 21 247.164 231.318 262.721 1.00 0.00 C +ATOM 22 CA CYS A 22 245.213 233.212 260.052 1.00 0.00 C +ATOM 23 CA PRO A 23 246.413 236.819 260.317 1.00 0.00 C +ATOM 24 CA LEU A 24 243.226 238.875 260.685 1.00 0.00 C +ATOM 25 CA PRO A 25 243.279 240.153 264.274 1.00 0.00 C +ATOM 26 CA PRO A 26 240.734 240.217 267.109 1.00 0.00 C +ATOM 27 CA PRO A 27 237.172 240.428 268.444 1.00 0.00 C +ATOM 28 CA ARG A 28 235.779 243.969 268.633 1.00 0.00 C +ATOM 29 CA SER A 29 232.028 243.712 268.014 1.00 0.00 C +ATOM 30 CA PRO A 30 230.862 240.170 267.234 1.00 0.00 C +ATOM 31 CA PRO A 31 230.633 239.826 263.446 1.00 0.00 C +ATOM 32 CA VAL A 32 231.147 240.162 259.686 1.00 0.00 C +ATOM 33 CA PRO A 33 234.325 238.852 258.041 1.00 0.00 C +ATOM 34 CA PRO A 34 237.548 240.878 257.881 1.00 0.00 C +ATOM 35 CA PRO A 35 237.249 243.999 260.045 1.00 0.00 C +ATOM 36 CA ARG A 36 238.391 246.685 262.494 1.00 0.00 C +ATOM 37 CA LYS A 37 241.799 248.387 262.574 1.00 0.00 C +ATOM 38 CA LYS A 38 245.419 248.577 263.745 1.00 0.00 C +ATOM 39 CA ARG A 39 248.945 247.414 264.603 1.00 0.00 C +ATOM 40 CA THR A 40 252.342 249.076 265.064 1.00 0.00 C +ATOM 41 CA VAL A 41 255.252 248.108 262.804 1.00 0.00 C +ATOM 42 CA VAL A 42 257.440 250.003 260.327 1.00 0.00 C +ATOM 43 CA LEU A 43 259.982 249.390 257.556 1.00 0.00 C +ATOM 44 CA THR A 44 263.751 249.886 257.815 1.00 0.00 C +ATOM 45 CA GLU A 45 265.064 251.382 254.567 1.00 0.00 C +ATOM 46 CA SER A 46 262.134 251.959 252.201 1.00 0.00 C +ATOM 47 CA SER A 47 259.686 254.236 254.027 1.00 0.00 C +ATOM 48 CA VAL A 48 256.121 254.309 255.370 1.00 0.00 C +ATOM 49 CA SER A 49 254.021 257.441 255.915 1.00 0.00 C +ATOM 50 CA THR A 50 250.746 257.617 257.852 1.00 0.00 C +ATOM 51 CA ALA A 51 250.786 260.187 260.665 1.00 0.00 C +ATOM 52 CA LEU A 52 250.735 262.344 263.805 1.00 0.00 C +ATOM 53 CA ALA A 53 250.516 265.975 264.939 1.00 0.00 C +ATOM 54 CA GLU A 54 249.239 267.828 261.865 1.00 0.00 C +ATOM 55 CA LEU A 55 252.044 267.852 259.287 1.00 0.00 C +ATOM 56 CA ALA A 56 251.707 265.065 256.711 1.00 0.00 C +ATOM 57 CA THR A 57 247.960 264.756 256.098 1.00 0.00 C +ATOM 58 CA LYS A 58 244.523 264.076 254.601 1.00 0.00 C +ATOM 59 CA SER A 59 241.955 261.283 254.253 1.00 0.00 C +ATOM 60 CA PHE A 60 240.782 258.078 252.559 1.00 0.00 C +ATOM 61 CA GLY A 61 237.095 257.623 251.717 1.00 0.00 C +ATOM 62 CA SER A 62 236.203 260.160 249.018 1.00 0.00 C +ATOM 63 CA SER A 63 232.928 261.487 247.594 1.00 0.00 C +ATOM 64 CA SER A 64 230.060 261.291 245.094 1.00 0.00 C +ATOM 65 CA THR A 65 228.557 264.792 245.132 1.00 0.00 C +ATOM 66 CA SER A 66 227.920 268.514 245.644 1.00 0.00 C +ATOM 67 CA GLY A 67 225.724 271.552 244.969 1.00 0.00 C +ATOM 68 CA ILE A 68 222.737 273.914 244.828 1.00 0.00 C +ATOM 69 CA THR A 69 222.432 277.612 243.961 1.00 0.00 C +ATOM 70 CA SER A 70 223.393 281.048 242.626 1.00 0.00 C +ATOM 71 CA ASP A 71 225.633 281.707 239.615 1.00 0.00 C +ATOM 72 CA ASN A 72 228.517 282.751 237.355 1.00 0.00 C +ATOM 73 CA THR A 73 231.917 281.380 238.391 1.00 0.00 C +ATOM 74 CA THR A 74 235.136 279.828 237.071 1.00 0.00 C +ATOM 75 CA THR A 75 237.526 276.937 236.398 1.00 0.00 C +ATOM 76 CA SER A 76 240.768 275.048 235.737 1.00 0.00 C +ATOM 77 CA PRO A 77 244.478 274.340 235.241 1.00 0.00 C +ATOM 78 CA GLU A 78 245.955 273.678 238.690 1.00 0.00 C +ATOM 79 CA PRO A 79 247.969 276.059 240.879 1.00 0.00 C +ATOM 80 CA ALA A 80 247.428 275.417 244.595 1.00 0.00 C +ATOM 81 CA SER A 81 248.622 273.423 247.615 1.00 0.00 C +ATOM 82 CA SER A 82 248.251 269.655 247.190 1.00 0.00 C +ATOM 83 CA GLY A 83 250.019 267.248 249.556 1.00 0.00 C +ATOM 84 CA CYS A 84 250.564 263.861 247.898 1.00 0.00 C +ATOM 85 CA SER A 85 250.381 260.534 246.051 1.00 0.00 C +ATOM 86 CA PRO A 86 250.402 258.428 242.876 1.00 0.00 C +ATOM 87 CA ASP A 87 251.889 255.853 240.495 1.00 0.00 C +ATOM 88 CA SER A 88 252.318 256.953 236.872 1.00 0.00 C +ATOM 89 CA ASP A 89 251.858 258.508 233.425 1.00 0.00 C +ATOM 90 CA ALA A 90 254.001 257.449 230.458 1.00 0.00 C +ATOM 91 CA GLU A 91 253.474 258.648 226.880 1.00 0.00 C +ATOM 92 CA SER A 92 256.736 258.859 224.922 1.00 0.00 C +ATOM 93 CA TYR A 93 257.688 255.290 223.990 1.00 0.00 C +ATOM 94 CA SER A 94 259.873 252.477 225.343 1.00 0.00 C +ATOM 95 CA SER A 95 260.224 248.684 225.318 1.00 0.00 C +ATOM 96 CA MET A 96 263.147 246.930 227.022 1.00 0.00 C +ATOM 97 CA PRO A 97 265.039 243.625 226.912 1.00 0.00 C +ATOM 98 CA PRO A 98 266.874 243.153 230.217 1.00 0.00 C +ATOM 99 CA LEU A 99 269.821 240.996 231.304 1.00 0.00 C +ATOM 100 CA GLU A 100 273.517 241.629 231.982 1.00 0.00 C +ATOM 101 CA GLY A 101 275.860 238.722 231.223 1.00 0.00 C +ATOM 102 CA GLU A 102 279.612 239.069 231.787 1.00 0.00 C +ATOM 103 CA PRO A 103 281.467 237.723 228.744 1.00 0.00 C +ATOM 104 CA GLY A 104 282.912 234.909 226.619 1.00 0.00 C +ATOM 105 CA ASP A 105 283.886 236.603 223.348 1.00 0.00 C +ATOM 106 CA PRO A 106 283.256 240.347 223.037 1.00 0.00 C +ATOM 107 CA ASP A 107 281.004 243.382 223.524 1.00 0.00 C +ATOM 108 CA LEU A 108 277.335 243.894 222.633 1.00 0.00 C +ATOM 109 CA SER A 109 274.533 243.705 225.207 1.00 0.00 C +ATOM 110 CA ASP A 110 271.519 245.712 224.022 1.00 0.00 C +ATOM 111 CA GLY A 111 272.888 248.058 221.349 1.00 0.00 C +ATOM 112 CA SER A 112 274.266 249.774 218.239 1.00 0.00 C +ATOM 113 CA TRP A 113 273.945 247.512 215.190 1.00 0.00 C +ATOM 114 CA SER A 114 270.877 245.764 213.757 1.00 0.00 C +ATOM 115 CA THR A 115 269.001 244.432 216.794 1.00 0.00 C +ATOM 116 CA VAL A 116 266.021 242.364 215.630 1.00 0.00 C +TER 117 VAL A 116 +END