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diff=lfs merge=lfs -text +Bacteria/Q0FVU6/Q0FVU6.dcd filter=lfs diff=lfs merge=lfs -text +Bacteria/Q0FVU8/Q0FVU8.dcd filter=lfs diff=lfs merge=lfs -text +Bacteria/Q0FVU9/Q0FVU9.dcd filter=lfs diff=lfs merge=lfs -text +Bacteria/Q0FVW4/Q0FVW4.dcd filter=lfs diff=lfs merge=lfs -text +Bacteria/Q0FVX0/Q0FVX0.dcd filter=lfs diff=lfs merge=lfs -text +Bacteria/Q0FVZ6/Q0FVZ6.dcd filter=lfs diff=lfs merge=lfs -text +Bacteria/Q0FW03/Q0FW03.dcd filter=lfs diff=lfs merge=lfs -text +Bacteria/Q0FW10/Q0FW10.dcd filter=lfs diff=lfs merge=lfs -text +Bacteria/Q0FW19/Q0FW19.dcd filter=lfs diff=lfs merge=lfs -text +Bacteria/Q0FW31/Q0FW31.dcd filter=lfs diff=lfs merge=lfs -text +Bacteria/Q0FW45/Q0FW45.dcd filter=lfs diff=lfs merge=lfs -text +Bacteria/Q0FW51/Q0FW51.dcd filter=lfs diff=lfs merge=lfs -text +Bacteria/Q0FW60/Q0FW60.dcd filter=lfs diff=lfs merge=lfs -text +Bacteria/Q0FW65/Q0FW65.dcd filter=lfs diff=lfs merge=lfs -text +Bacteria/Q0FW76/Q0FW76.dcd filter=lfs diff=lfs merge=lfs -text +Bacteria/Q0FW78/Q0FW78.dcd filter=lfs diff=lfs merge=lfs -text +Bacteria/Q0FW92/Q0FW92.dcd filter=lfs diff=lfs merge=lfs -text +Bacteria/Q0FW94/Q0FW94.dcd filter=lfs diff=lfs merge=lfs -text +Bacteria/Q0FW99/Q0FW99.dcd filter=lfs diff=lfs merge=lfs -text +Bacteria/Q0FWA2/Q0FWA2.dcd filter=lfs diff=lfs merge=lfs -text +Bacteria/Q0FWA3/Q0FWA3.dcd filter=lfs diff=lfs merge=lfs -text +Bacteria/Q0FWA6/Q0FWA6.dcd filter=lfs diff=lfs merge=lfs -text +Bacteria/Q0FWB0/Q0FWB0.dcd filter=lfs diff=lfs merge=lfs -text +Bacteria/Q0FWB1/Q0FWB1.dcd filter=lfs diff=lfs merge=lfs -text +Bacteria/Q0FWD0/Q0FWD0.dcd filter=lfs diff=lfs merge=lfs -text +Bacteria/Q0FWD1/Q0FWD1.dcd filter=lfs diff=lfs merge=lfs -text +Bacteria/Q0FWD3/Q0FWD3.dcd filter=lfs diff=lfs merge=lfs -text +Bacteria/Q0FWD4/Q0FWD4.dcd filter=lfs diff=lfs merge=lfs -text +Bacteria/Q0FWE1/Q0FWE1.dcd filter=lfs diff=lfs merge=lfs -text +Bacteria/Q0FWF1/Q0FWF1.dcd filter=lfs diff=lfs merge=lfs -text +Bacteria/Q0FWF5/Q0FWF5.dcd filter=lfs diff=lfs merge=lfs -text +Bacteria/Q0FWG0/Q0FWG0.dcd filter=lfs diff=lfs merge=lfs -text +Bacteria/Q0FWG6/Q0FWG6.dcd filter=lfs diff=lfs merge=lfs -text +Bacteria/Q0FWG8/Q0FWG8.dcd filter=lfs diff=lfs merge=lfs -text +Bacteria/Q0FWH1/Q0FWH1.dcd filter=lfs diff=lfs merge=lfs -text +Bacteria/Q0FWH3/Q0FWH3.dcd filter=lfs diff=lfs merge=lfs -text +Bacteria/Q0FWI0/Q0FWI0.dcd filter=lfs diff=lfs merge=lfs -text +Bacteria/Q0FWI7/Q0FWI7.dcd filter=lfs diff=lfs merge=lfs -text +Bacteria/Q0FWJ6/Q0FWJ6.dcd filter=lfs diff=lfs merge=lfs -text +Bacteria/Q0FWK6/Q0FWK6.dcd filter=lfs diff=lfs merge=lfs -text +Bacteria/Q0FWK8/Q0FWK8.dcd filter=lfs diff=lfs merge=lfs -text +Bacteria/Q0FWL3/Q0FWL3.dcd filter=lfs diff=lfs merge=lfs -text +Bacteria/Q0FWM5/Q0FWM5.dcd filter=lfs diff=lfs merge=lfs -text diff --git a/Bacteria/O30839/O30839.dcd b/Bacteria/O30839/O30839.dcd new file mode 100644 index 0000000000000000000000000000000000000000..76e74965b027571b4672b9e733519678b0592977 --- /dev/null +++ b/Bacteria/O30839/O30839.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ce6128d4dfe07549a4f444b55089e4e10aefd4c3f482951a875e44fc5e712413 +size 6560276 diff --git a/Bacteria/O30839/top.pdb b/Bacteria/O30839/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0369b5915013a69771562aa8b38f27e559baddbf --- /dev/null +++ b/Bacteria/O30839/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 1 266.174 243.840 238.267 1.00 0.00 C +ATOM 2 CA ALA A 2 262.555 244.843 238.909 1.00 0.00 C +ATOM 3 CA ARG A 3 260.882 242.871 241.707 1.00 0.00 C +ATOM 4 CA MET A 4 261.050 239.076 242.000 1.00 0.00 C +ATOM 5 CA ILE A 5 263.594 238.058 244.647 1.00 0.00 C +ATOM 6 CA ARG A 6 267.332 237.692 244.005 1.00 0.00 C +ATOM 7 CA PRO A 7 269.967 238.888 246.483 1.00 0.00 C +ATOM 8 CA LEU A 8 269.473 236.929 249.713 1.00 0.00 C +ATOM 9 CA SER A 9 266.696 237.777 252.179 1.00 0.00 C +ATOM 10 CA GLY A 10 264.080 235.272 253.364 1.00 0.00 C +ATOM 11 CA SER A 11 260.657 233.601 253.382 1.00 0.00 C +ATOM 12 CA PRO A 12 257.720 234.748 251.243 1.00 0.00 C +ATOM 13 CA HIS A 13 256.455 238.171 250.146 1.00 0.00 C +ATOM 14 CA GLU A 14 253.066 239.811 249.564 1.00 0.00 C +ATOM 15 CA VAL A 15 252.998 243.411 248.318 1.00 0.00 C +ATOM 16 CA PHE A 16 251.475 245.734 245.710 1.00 0.00 C +ATOM 17 CA ARG A 17 248.740 248.264 244.915 1.00 0.00 C +ATOM 18 CA GLY A 18 250.477 251.349 243.508 1.00 0.00 C +ATOM 19 CA PHE A 19 250.309 254.725 241.752 1.00 0.00 C +ATOM 20 CA PRO A 20 251.774 258.242 241.812 1.00 0.00 C +ATOM 21 CA LEU A 21 255.266 259.767 241.858 1.00 0.00 C +ATOM 22 CA LEU A 22 254.706 263.508 242.311 1.00 0.00 C +ATOM 23 CA SER A 23 253.759 266.474 244.507 1.00 0.00 C +ATOM 24 CA GLY A 24 251.918 265.996 247.808 1.00 0.00 C +ATOM 25 CA GLN A 25 250.144 268.601 249.949 1.00 0.00 C +ATOM 26 CA ASN A 26 246.485 267.540 250.024 1.00 0.00 C +ATOM 27 CA THR A 27 245.293 264.367 248.286 1.00 0.00 C +ATOM 28 CA PRO A 28 242.320 265.504 246.192 1.00 0.00 C +ATOM 29 CA ASP A 29 240.893 266.723 242.877 1.00 0.00 C +ATOM 30 CA ASN A 30 237.617 264.896 242.209 1.00 0.00 C +ATOM 31 CA LYS A 31 235.104 263.206 244.521 1.00 0.00 C +ATOM 32 CA VAL A 32 235.552 259.854 246.277 1.00 0.00 C +ATOM 33 CA ARG A 33 239.175 258.788 245.774 1.00 0.00 C +ATOM 34 CA PRO A 34 240.410 257.131 248.975 1.00 0.00 C +ATOM 35 CA ASP A 35 239.142 257.590 252.538 1.00 0.00 C +ATOM 36 CA LEU A 36 239.220 259.210 255.986 1.00 0.00 C +ATOM 37 CA VAL A 37 240.516 259.083 259.566 1.00 0.00 C +ATOM 38 CA GLY A 38 243.489 256.701 259.636 1.00 0.00 C +ATOM 39 CA TRP A 39 242.652 253.602 257.584 1.00 0.00 C +ATOM 40 CA THR A 40 242.351 249.804 257.614 1.00 0.00 C +ATOM 41 CA SER A 41 239.579 247.471 256.434 1.00 0.00 C +ATOM 42 CA TYR A 42 239.911 243.702 256.883 1.00 0.00 C +ATOM 43 CA ARG A 43 243.486 242.395 257.059 1.00 0.00 C +ATOM 44 CA GLY A 44 244.493 239.368 259.142 1.00 0.00 C +ATOM 45 CA SER A 45 244.664 240.559 262.756 1.00 0.00 C +ATOM 46 CA SER A 46 241.611 240.461 265.034 1.00 0.00 C +ATOM 47 CA PRO A 47 242.396 239.092 268.502 1.00 0.00 C +ATOM 48 CA ARG A 48 242.377 235.307 268.070 1.00 0.00 C +TER 49 ARG A 48 +END diff --git a/Bacteria/O31572/O31572.dcd b/Bacteria/O31572/O31572.dcd new file mode 100644 index 0000000000000000000000000000000000000000..fc0895efda74e135f7ff256b17e65fb59611738c --- /dev/null +++ b/Bacteria/O31572/O31572.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9c4353dc3226b0d60549425dfa78eae43a6c91595720029913a437f266759a31 +size 8360276 diff --git a/Bacteria/O31572/top.pdb b/Bacteria/O31572/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9130129e72221cc9610f08328887996cd4cf5c64 --- /dev/null +++ b/Bacteria/O31572/top.pdb @@ -0,0 +1,67 @@ +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 1 217.261 234.295 273.496 1.00 0.00 C +ATOM 2 CA GLY A 2 218.307 235.042 269.909 1.00 0.00 C +ATOM 3 CA ARG A 3 218.750 234.586 266.153 1.00 0.00 C +ATOM 4 CA ASN A 4 221.457 233.133 263.899 1.00 0.00 C +ATOM 5 CA HIS A 5 222.986 231.144 261.032 1.00 0.00 C +ATOM 6 CA ILE A 6 226.218 231.241 259.016 1.00 0.00 C +ATOM 7 CA HIS A 7 229.694 229.717 259.354 1.00 0.00 C +ATOM 8 CA LYS A 8 232.284 230.264 256.613 1.00 0.00 C +ATOM 9 CA ASN A 9 233.362 233.354 254.663 1.00 0.00 C +ATOM 10 CA ARG A 10 236.124 235.751 255.733 1.00 0.00 C +ATOM 11 CA ASP A 11 234.535 239.196 256.086 1.00 0.00 C +ATOM 12 CA LYS A 12 234.433 242.646 254.474 1.00 0.00 C +ATOM 13 CA ASN A 13 236.858 244.460 252.162 1.00 0.00 C +ATOM 14 CA LYS A 14 240.565 245.323 251.979 1.00 0.00 C +ATOM 15 CA GLN A 15 242.126 247.274 254.855 1.00 0.00 C +ATOM 16 CA LYS A 16 244.613 247.038 257.731 1.00 0.00 C +ATOM 17 CA LEU A 17 242.848 246.882 261.105 1.00 0.00 C +ATOM 18 CA PRO A 18 239.260 248.071 260.630 1.00 0.00 C +ATOM 19 CA GLN A 19 239.418 251.298 258.611 1.00 0.00 C +ATOM 20 CA VAL A 20 241.414 253.447 256.180 1.00 0.00 C +ATOM 21 CA PRO A 21 244.731 255.291 256.516 1.00 0.00 C +ATOM 22 CA ASP A 22 247.225 256.783 258.980 1.00 0.00 C +ATOM 23 CA ALA A 23 250.926 257.578 258.551 1.00 0.00 C +ATOM 24 CA LEU A 24 252.971 254.913 256.754 1.00 0.00 C +ATOM 25 CA LYS A 25 251.623 253.366 253.544 1.00 0.00 C +ATOM 26 CA ARG A 26 249.673 251.290 251.014 1.00 0.00 C +ATOM 27 CA GLU A 27 251.894 250.339 248.068 1.00 0.00 C +ATOM 28 CA THR A 28 254.203 249.380 245.193 1.00 0.00 C +ATOM 29 CA ASP A 29 253.790 251.527 242.073 1.00 0.00 C +ATOM 30 CA GLY A 30 255.738 253.089 239.195 1.00 0.00 C +ATOM 31 CA VAL A 31 259.106 251.681 238.106 1.00 0.00 C +ATOM 32 CA TYR A 32 262.780 252.076 239.034 1.00 0.00 C +ATOM 33 CA GLU A 33 266.372 252.578 240.202 1.00 0.00 C +ATOM 34 CA GLU A 34 266.245 255.192 242.970 1.00 0.00 C +ATOM 35 CA TYR A 35 268.378 256.806 245.684 1.00 0.00 C +ATOM 36 CA SER A 36 271.739 255.016 245.560 1.00 0.00 C +ATOM 37 CA THR A 37 271.594 251.505 247.032 1.00 0.00 C +ATOM 38 CA GLU A 38 268.419 249.473 246.481 1.00 0.00 C +ATOM 39 CA LEU A 39 268.654 245.726 247.130 1.00 0.00 C +ATOM 40 CA ALA A 40 268.218 243.849 250.417 1.00 0.00 C +ATOM 41 CA ASP A 41 268.733 240.873 252.740 1.00 0.00 C +ATOM 42 CA ALA A 42 266.711 240.693 255.964 1.00 0.00 C +ATOM 43 CA ASP A 43 265.811 243.828 257.935 1.00 0.00 C +ATOM 44 CA ASP A 44 264.096 246.930 259.332 1.00 0.00 C +ATOM 45 CA ARG A 45 263.489 250.494 258.130 1.00 0.00 C +ATOM 46 CA GLU A 46 261.323 252.122 255.452 1.00 0.00 C +ATOM 47 CA ALA A 47 259.358 254.283 253.006 1.00 0.00 C +ATOM 48 CA GLN A 48 256.713 253.847 250.298 1.00 0.00 C +ATOM 49 CA GLU A 49 258.653 253.417 247.047 1.00 0.00 C +ATOM 50 CA ARG A 50 260.510 256.308 245.402 1.00 0.00 C +ATOM 51 CA ALA A 51 260.958 259.361 243.168 1.00 0.00 C +ATOM 52 CA LYS A 52 260.252 263.007 242.315 1.00 0.00 C +ATOM 53 CA ALA A 53 259.613 265.560 239.560 1.00 0.00 C +ATOM 54 CA ALA A 54 256.531 266.598 237.575 1.00 0.00 C +ATOM 55 CA ASP A 55 253.386 268.459 238.655 1.00 0.00 C +ATOM 56 CA ASN A 56 249.791 267.870 239.769 1.00 0.00 C +ATOM 57 CA ARG A 57 246.692 265.756 239.101 1.00 0.00 C +ATOM 58 CA ALA A 58 244.742 262.761 237.782 1.00 0.00 C +ATOM 59 CA LYS A 59 246.516 259.524 236.840 1.00 0.00 C +ATOM 60 CA LYS A 60 249.914 258.284 235.643 1.00 0.00 C +ATOM 61 CA LYS A 61 252.548 258.738 232.927 1.00 0.00 C +ATOM 62 CA SER A 62 252.916 260.125 229.398 1.00 0.00 C +ATOM 63 CA ARG A 63 253.951 259.543 225.778 1.00 0.00 C +TER 64 ARG A 63 +END diff --git a/Bacteria/O33447/O33447.dcd b/Bacteria/O33447/O33447.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8ced6edd7e99656820c61072fea92ca9f642e24b --- /dev/null +++ b/Bacteria/O33447/O33447.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:700b79130df02a5f2a985c739d02b08467a34a58163ef3599f49420c0f4a03cb +size 12680276 diff --git a/Bacteria/O33447/top.pdb b/Bacteria/O33447/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..cb1dd0a6ab0db0516a4598faa50a4e13adabe903 --- /dev/null +++ b/Bacteria/O33447/top.pdb @@ -0,0 +1,103 @@ +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 1 273.317 229.815 253.435 1.00 0.00 C +ATOM 2 CA SER A 2 272.000 227.928 256.471 1.00 0.00 C +ATOM 3 CA LYS A 3 268.951 228.778 258.593 1.00 0.00 C +ATOM 4 CA HIS A 4 265.354 228.034 259.603 1.00 0.00 C +ATOM 5 CA ALA A 5 263.060 230.419 261.491 1.00 0.00 C +ATOM 6 CA HIS A 6 262.159 232.996 264.149 1.00 0.00 C +ATOM 7 CA GLN A 7 262.473 234.756 267.514 1.00 0.00 C +ATOM 8 CA HIS A 8 262.031 235.460 271.232 1.00 0.00 C +ATOM 9 CA ASP A 9 263.985 238.593 272.170 1.00 0.00 C +ATOM 10 CA ASN A 10 263.787 241.104 275.029 1.00 0.00 C +ATOM 11 CA HIS A 11 265.848 244.308 275.064 1.00 0.00 C +ATOM 12 CA LYS A 12 266.393 246.748 272.189 1.00 0.00 C +ATOM 13 CA HIS A 13 263.154 248.035 270.651 1.00 0.00 C +ATOM 14 CA THR A 14 260.545 245.322 270.060 1.00 0.00 C +ATOM 15 CA ASP A 15 260.921 243.141 266.958 1.00 0.00 C +ATOM 16 CA ALA A 16 264.300 243.657 265.275 1.00 0.00 C +ATOM 17 CA CYS A 17 267.256 241.783 266.780 1.00 0.00 C +ATOM 18 CA CYS A 18 269.940 240.907 269.338 1.00 0.00 C +ATOM 19 CA SER A 19 272.004 237.723 268.998 1.00 0.00 C +ATOM 20 CA SER A 20 275.312 235.924 269.580 1.00 0.00 C +ATOM 21 CA SER A 21 276.099 236.492 273.264 1.00 0.00 C +ATOM 22 CA GLN A 22 279.494 236.980 274.923 1.00 0.00 C +ATOM 23 CA CYS A 23 280.922 240.063 273.198 1.00 0.00 C +ATOM 24 CA CYS A 24 280.404 241.836 269.866 1.00 0.00 C +ATOM 25 CA SER A 25 277.313 241.305 267.703 1.00 0.00 C +ATOM 26 CA ASN A 26 274.536 243.414 266.170 1.00 0.00 C +ATOM 27 CA GLN A 27 274.037 246.143 263.558 1.00 0.00 C +ATOM 28 CA ALA A 28 273.476 246.316 259.793 1.00 0.00 C +ATOM 29 CA ASP A 29 276.882 246.739 258.138 1.00 0.00 C +ATOM 30 CA ASN A 30 279.783 245.018 256.367 1.00 0.00 C +ATOM 31 CA SER A 31 279.772 241.526 254.843 1.00 0.00 C +ATOM 32 CA SER A 32 276.223 240.155 255.051 1.00 0.00 C +ATOM 33 CA MET A 33 272.772 240.114 256.667 1.00 0.00 C +ATOM 34 CA HIS A 34 270.386 241.134 253.877 1.00 0.00 C +ATOM 35 CA SER A 35 268.818 244.555 253.284 1.00 0.00 C +ATOM 36 CA HIS A 36 271.686 247.026 252.855 1.00 0.00 C +ATOM 37 CA THR A 37 273.641 250.280 253.190 1.00 0.00 C +ATOM 38 CA GLU A 38 272.167 252.559 250.516 1.00 0.00 C +ATOM 39 CA SER A 39 268.777 254.240 250.068 1.00 0.00 C +ATOM 40 CA GLY A 40 265.345 252.592 250.228 1.00 0.00 C +ATOM 41 CA HIS A 41 262.046 251.939 248.438 1.00 0.00 C +ATOM 42 CA THR A 42 258.778 250.293 249.501 1.00 0.00 C +ATOM 43 CA HIS A 43 256.501 248.189 251.715 1.00 0.00 C +ATOM 44 CA SER A 44 253.754 245.785 250.622 1.00 0.00 C +ATOM 45 CA LYS A 45 250.141 246.961 250.342 1.00 0.00 C +ATOM 46 CA ILE A 46 247.583 247.515 247.573 1.00 0.00 C +ATOM 47 CA ASP A 47 247.146 251.056 246.235 1.00 0.00 C +ATOM 48 CA LYS A 48 243.817 252.780 245.558 1.00 0.00 C +ATOM 49 CA SER A 49 240.303 252.176 244.215 1.00 0.00 C +ATOM 50 CA ASP A 50 238.500 248.930 245.072 1.00 0.00 C +ATOM 51 CA PRO A 51 234.766 248.620 245.762 1.00 0.00 C +ATOM 52 CA GLU A 52 233.474 247.532 249.178 1.00 0.00 C +ATOM 53 CA CYS A 53 235.001 244.237 250.331 1.00 0.00 C +ATOM 54 CA GLU A 54 234.193 242.120 253.393 1.00 0.00 C +ATOM 55 CA GLU A 55 232.330 244.364 255.844 1.00 0.00 C +ATOM 56 CA GLU A 56 229.307 246.506 254.955 1.00 0.00 C +ATOM 57 CA HIS A 57 225.620 246.519 253.995 1.00 0.00 C +ATOM 58 CA HIS A 58 223.211 249.413 254.579 1.00 0.00 C +ATOM 59 CA HIS A 59 223.145 252.950 253.164 1.00 0.00 C +ATOM 60 CA GLY A 60 223.601 256.596 254.172 1.00 0.00 C +ATOM 61 CA HIS A 61 223.595 258.830 251.086 1.00 0.00 C +ATOM 62 CA GLN A 62 222.884 262.485 250.278 1.00 0.00 C +ATOM 63 CA HIS A 63 223.107 264.503 247.054 1.00 0.00 C +ATOM 64 CA GLU A 64 225.981 265.577 244.796 1.00 0.00 C +ATOM 65 CA HIS A 65 225.996 266.865 241.211 1.00 0.00 C +ATOM 66 CA ASN A 66 225.777 267.681 237.496 1.00 0.00 C +ATOM 67 CA HIS A 67 223.020 269.323 235.442 1.00 0.00 C +ATOM 68 CA HIS A 68 222.325 272.568 233.571 1.00 0.00 C +ATOM 69 CA ALA A 69 220.646 275.986 233.665 1.00 0.00 C +ATOM 70 CA HIS A 70 217.010 276.801 234.461 1.00 0.00 C +ATOM 71 CA ASP A 71 215.677 274.458 237.154 1.00 0.00 C +ATOM 72 CA GLY A 72 216.083 270.762 236.326 1.00 0.00 C +ATOM 73 CA HIS A 73 214.950 269.460 232.929 1.00 0.00 C +ATOM 74 CA ASP A 74 215.511 265.709 232.573 1.00 0.00 C +ATOM 75 CA HIS A 75 216.207 262.484 230.668 1.00 0.00 C +ATOM 76 CA ALA A 76 215.494 258.778 231.196 1.00 0.00 C +ATOM 77 CA HIS A 77 216.759 256.524 228.397 1.00 0.00 C +ATOM 78 CA GLY A 78 218.684 253.474 227.169 1.00 0.00 C +ATOM 79 CA CYS A 79 222.281 253.674 225.930 1.00 0.00 C +ATOM 80 CA CYS A 80 225.729 254.793 227.102 1.00 0.00 C +ATOM 81 CA ASP A 81 229.065 256.555 226.564 1.00 0.00 C +ATOM 82 CA SER A 82 231.549 254.523 228.618 1.00 0.00 C +ATOM 83 CA ASN A 83 232.922 252.339 231.421 1.00 0.00 C +ATOM 84 CA ALA A 84 236.402 252.707 232.928 1.00 0.00 C +ATOM 85 CA PRO A 85 238.700 249.668 232.944 1.00 0.00 C +ATOM 86 CA VAL A 86 240.244 246.266 232.202 1.00 0.00 C +ATOM 87 CA SER A 87 242.170 244.201 234.761 1.00 0.00 C +ATOM 88 CA ASN A 88 244.859 246.186 236.589 1.00 0.00 C +ATOM 89 CA VAL A 89 247.594 248.073 238.453 1.00 0.00 C +ATOM 90 CA GLU A 90 249.793 251.159 238.057 1.00 0.00 C +ATOM 91 CA PRO A 91 251.015 252.896 234.894 1.00 0.00 C +ATOM 92 CA GLU A 92 251.765 256.617 235.232 1.00 0.00 C +ATOM 93 CA LYS A 93 253.421 258.643 238.000 1.00 0.00 C +ATOM 94 CA ILE A 94 257.054 259.783 237.864 1.00 0.00 C +ATOM 95 CA ALA A 95 259.728 260.898 240.340 1.00 0.00 C +ATOM 96 CA GLN A 96 262.243 261.701 243.086 1.00 0.00 C +ATOM 97 CA GLN A 97 264.789 259.771 245.161 1.00 0.00 C +ATOM 98 CA ARG A 98 268.554 260.295 245.427 1.00 0.00 C +ATOM 99 CA PHE A 99 271.879 258.589 246.165 1.00 0.00 C +TER 100 PHE A 99 +END diff --git a/Bacteria/O51559/O51559.dcd b/Bacteria/O51559/O51559.dcd new file mode 100644 index 0000000000000000000000000000000000000000..aa6271ebb12c8c3e5e4787e5a40f001e04f6ccf9 --- /dev/null +++ b/Bacteria/O51559/O51559.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c7a3fae42bb487d489c05d4ceb3c11eae8e48faaf5ad33fd0aaf42b040df79bf +size 6800276 diff --git a/Bacteria/O51559/top.pdb b/Bacteria/O51559/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..031bec7a8939adba06a3152460b530d154e40df1 --- /dev/null +++ b/Bacteria/O51559/top.pdb @@ -0,0 +1,54 @@ +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 1 232.699 269.484 258.907 1.00 0.00 C +ATOM 2 CA LYS A 2 235.523 267.027 259.620 1.00 0.00 C +ATOM 3 CA ASP A 3 238.711 269.002 260.291 1.00 0.00 C +ATOM 4 CA GLY A 4 241.732 266.686 260.448 1.00 0.00 C +ATOM 5 CA VAL A 5 242.140 264.036 257.741 1.00 0.00 C +ATOM 6 CA ARG A 6 244.933 261.777 256.473 1.00 0.00 C +ATOM 7 CA LYS A 7 247.634 259.562 257.995 1.00 0.00 C +ATOM 8 CA PRO A 8 249.905 257.224 256.021 1.00 0.00 C +ATOM 9 CA SER A 9 250.688 257.743 252.329 1.00 0.00 C +ATOM 10 CA GLY A 10 252.486 255.517 249.813 1.00 0.00 C +ATOM 11 CA ASN A 11 253.271 257.787 246.856 1.00 0.00 C +ATOM 12 CA ARG A 12 250.997 257.708 243.800 1.00 0.00 C +ATOM 13 CA ALA A 13 252.761 255.443 241.296 1.00 0.00 C +ATOM 14 CA SER A 14 254.197 252.549 239.275 1.00 0.00 C +ATOM 15 CA PHE A 15 256.765 249.738 239.412 1.00 0.00 C +ATOM 16 CA SER A 16 258.330 246.946 237.345 1.00 0.00 C +ATOM 17 CA ALA A 17 260.197 244.412 239.491 1.00 0.00 C +ATOM 18 CA GLN A 18 259.395 240.711 239.912 1.00 0.00 C +ATOM 19 CA PRO A 19 256.339 239.546 237.957 1.00 0.00 C +ATOM 20 CA ASN A 20 253.825 238.428 240.593 1.00 0.00 C +ATOM 21 CA VAL A 21 250.582 236.790 241.739 1.00 0.00 C +ATOM 22 CA LYS A 22 248.173 238.739 243.956 1.00 0.00 C +ATOM 23 CA GLY A 23 244.568 237.508 244.004 1.00 0.00 C +ATOM 24 CA LEU A 24 242.289 239.808 241.996 1.00 0.00 C +ATOM 25 CA ARG A 25 241.606 239.921 238.250 1.00 0.00 C +ATOM 26 CA LYS A 26 240.707 242.797 235.918 1.00 0.00 C +ATOM 27 CA ASN A 27 241.179 246.578 235.851 1.00 0.00 C +ATOM 28 CA ASN A 28 242.211 250.179 236.542 1.00 0.00 C +ATOM 29 CA SER A 29 245.216 251.950 235.009 1.00 0.00 C +ATOM 30 CA PHE A 30 247.229 253.955 237.547 1.00 0.00 C +ATOM 31 CA SER A 31 246.809 252.853 241.170 1.00 0.00 C +ATOM 32 CA CYS A 32 244.633 251.711 244.082 1.00 0.00 C +ATOM 33 CA PHE A 33 244.634 249.109 246.865 1.00 0.00 C +ATOM 34 CA ALA A 34 247.911 248.027 248.480 1.00 0.00 C +ATOM 35 CA LYS A 35 251.142 247.904 246.465 1.00 0.00 C +ATOM 36 CA ASN A 36 251.367 244.910 244.119 1.00 0.00 C +ATOM 37 CA ASN A 37 253.956 242.317 245.161 1.00 0.00 C +ATOM 38 CA LEU A 38 256.822 242.662 247.647 1.00 0.00 C +ATOM 39 CA GLY A 39 256.200 243.207 251.366 1.00 0.00 C +ATOM 40 CA LYS A 40 256.271 243.541 255.161 1.00 0.00 C +ATOM 41 CA SER A 41 257.167 246.955 256.596 1.00 0.00 C +ATOM 42 CA PHE A 42 260.072 246.853 259.060 1.00 0.00 C +ATOM 43 CA SER A 43 262.465 248.111 261.744 1.00 0.00 C +ATOM 44 CA LYS A 44 262.138 248.132 265.540 1.00 0.00 C +ATOM 45 CA GLY A 45 259.478 246.809 267.925 1.00 0.00 C +ATOM 46 CA LYS A 46 255.806 247.228 267.000 1.00 0.00 C +ATOM 47 CA LYS A 47 253.918 248.105 270.191 1.00 0.00 C +ATOM 48 CA ARG A 48 251.224 250.357 271.670 1.00 0.00 C +ATOM 49 CA GLY A 49 247.456 249.814 271.532 1.00 0.00 C +ATOM 50 CA LYS A 50 244.245 251.843 271.838 1.00 0.00 C +TER 51 LYS A 50 +END diff --git a/Bacteria/O53713/O53713.dcd b/Bacteria/O53713/O53713.dcd new file mode 100644 index 0000000000000000000000000000000000000000..ee4e4df136976d3afa526c2bbceaa4f310604993 --- /dev/null +++ b/Bacteria/O53713/O53713.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e9e39bc0d284a174da67ced3e6cb49a977f42960beffd08c4d1542bdf64ebd87 +size 9560276 diff --git a/Bacteria/O53713/top.pdb b/Bacteria/O53713/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8cab3653ac14e9660330cac5912b28129a6944d4 --- /dev/null +++ b/Bacteria/O53713/top.pdb @@ -0,0 +1,77 @@ +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 1 249.851 264.003 248.329 1.00 0.00 C +ATOM 2 CA SER A 2 246.956 263.384 250.727 1.00 0.00 C +ATOM 3 CA GLY A 3 243.832 263.849 248.595 1.00 0.00 C +ATOM 4 CA ARG A 4 241.382 262.936 245.824 1.00 0.00 C +ATOM 5 CA TRP A 5 241.429 260.180 243.194 1.00 0.00 C +ATOM 6 CA GLU A 6 243.663 257.315 242.046 1.00 0.00 C +ATOM 7 CA ALA A 7 241.693 254.498 240.404 1.00 0.00 C +ATOM 8 CA GLY A 8 239.246 252.190 242.193 1.00 0.00 C +ATOM 9 CA ASN A 9 235.511 252.594 242.827 1.00 0.00 C +ATOM 10 CA ALA A 10 234.100 249.354 244.250 1.00 0.00 C +ATOM 11 CA ASP A 11 232.884 247.008 241.505 1.00 0.00 C +ATOM 12 CA GLY A 12 229.229 246.327 240.675 1.00 0.00 C +ATOM 13 CA ASN A 13 225.739 245.562 242.000 1.00 0.00 C +ATOM 14 CA GLY A 14 225.116 242.646 244.371 1.00 0.00 C +ATOM 15 CA GLY A 15 223.066 242.293 247.563 1.00 0.00 C +ATOM 16 CA SER A 16 221.480 241.563 250.949 1.00 0.00 C +ATOM 17 CA ALA A 17 222.321 238.038 252.127 1.00 0.00 C +ATOM 18 CA GLY A 18 224.389 237.430 255.268 1.00 0.00 C +ATOM 19 CA LEU A 19 227.380 236.597 257.477 1.00 0.00 C +ATOM 20 CA ILE A 20 226.173 233.968 259.957 1.00 0.00 C +ATOM 21 CA GLY A 21 226.488 230.431 261.337 1.00 0.00 C +ATOM 22 CA SER A 22 230.182 229.675 261.886 1.00 0.00 C +ATOM 23 CA GLY A 23 233.948 229.940 261.380 1.00 0.00 C +ATOM 24 CA GLY A 24 237.364 231.294 260.373 1.00 0.00 C +ATOM 25 CA ALA A 25 238.046 234.814 261.661 1.00 0.00 C +ATOM 26 CA GLY A 26 235.993 236.069 264.615 1.00 0.00 C +ATOM 27 CA GLY A 27 235.301 239.796 264.230 1.00 0.00 C +ATOM 28 CA ASP A 28 236.197 243.217 262.813 1.00 0.00 C +ATOM 29 CA GLY A 29 238.007 243.343 259.463 1.00 0.00 C +ATOM 30 CA GLY A 30 240.755 241.364 257.716 1.00 0.00 C +ATOM 31 CA SER A 31 240.968 242.526 254.094 1.00 0.00 C +ATOM 32 CA GLY A 32 240.550 245.301 251.517 1.00 0.00 C +ATOM 33 CA GLY A 33 242.683 248.366 250.759 1.00 0.00 C +ATOM 34 CA ALA A 34 246.129 247.738 249.260 1.00 0.00 C +ATOM 35 CA THR A 35 249.810 247.640 250.237 1.00 0.00 C +ATOM 36 CA GLY A 36 251.111 246.895 253.739 1.00 0.00 C +ATOM 37 CA ALA A 37 250.840 244.290 256.507 1.00 0.00 C +ATOM 38 CA GLY A 38 253.318 241.690 257.777 1.00 0.00 C +ATOM 39 CA GLY A 39 256.593 243.610 258.097 1.00 0.00 C +ATOM 40 CA GLU A 40 257.225 245.970 255.173 1.00 0.00 C +ATOM 41 CA GLY A 41 257.489 249.149 253.089 1.00 0.00 C +ATOM 42 CA GLY A 42 256.339 250.515 249.724 1.00 0.00 C +ATOM 43 CA ASP A 43 259.128 250.434 247.129 1.00 0.00 C +ATOM 44 CA ALA A 44 257.399 251.184 243.817 1.00 0.00 C +ATOM 45 CA GLY A 45 258.204 250.878 240.106 1.00 0.00 C +ATOM 46 CA ALA A 46 261.234 252.806 238.834 1.00 0.00 C +ATOM 47 CA SER A 47 263.449 253.535 235.821 1.00 0.00 C +ATOM 48 CA GLY A 48 266.109 251.290 234.271 1.00 0.00 C +ATOM 49 CA SER A 49 267.847 249.768 231.242 1.00 0.00 C +ATOM 50 CA ILE A 50 270.853 250.786 229.134 1.00 0.00 C +ATOM 51 CA ASN A 51 274.046 252.839 229.469 1.00 0.00 C +ATOM 52 CA GLY A 52 276.045 251.295 232.321 1.00 0.00 C +ATOM 53 CA ASN A 53 275.154 252.348 235.872 1.00 0.00 C +ATOM 54 CA ALA A 54 272.900 251.531 238.834 1.00 0.00 C +ATOM 55 CA GLY A 55 270.789 251.829 241.991 1.00 0.00 C +ATOM 56 CA ASP A 56 269.316 255.329 242.297 1.00 0.00 C +ATOM 57 CA PRO A 57 266.525 257.896 241.929 1.00 0.00 C +ATOM 58 CA GLY A 58 263.771 259.810 243.736 1.00 0.00 C +ATOM 59 CA ASN A 59 260.388 260.484 245.354 1.00 0.00 C +ATOM 60 CA SER A 60 258.727 257.356 246.758 1.00 0.00 C +ATOM 61 CA GLY A 61 256.489 258.446 249.643 1.00 0.00 C +ATOM 62 CA GLU A 62 254.709 261.465 251.138 1.00 0.00 C +ATOM 63 CA ARG A 63 254.279 261.629 254.920 1.00 0.00 C +ATOM 64 CA GLY A 64 257.411 260.203 256.555 1.00 0.00 C +ATOM 65 CA ALA A 65 258.990 259.654 259.979 1.00 0.00 C +ATOM 66 CA VAL A 66 260.571 258.959 263.375 1.00 0.00 C +ATOM 67 CA GLY A 67 263.152 256.665 264.986 1.00 0.00 C +ATOM 68 CA LYS A 68 266.940 257.066 265.016 1.00 0.00 C +ATOM 69 CA PRO A 69 268.897 258.847 262.275 1.00 0.00 C +ATOM 70 CA GLY A 70 271.391 261.382 260.906 1.00 0.00 C +ATOM 71 CA ALA A 71 272.896 264.054 258.645 1.00 0.00 C +ATOM 72 CA PRO A 72 271.663 263.736 255.054 1.00 0.00 C +ATOM 73 CA GLY A 73 269.951 261.130 252.865 1.00 0.00 C +TER 74 GLY A 73 +END diff --git a/Bacteria/O53824/O53824.dcd b/Bacteria/O53824/O53824.dcd new file mode 100644 index 0000000000000000000000000000000000000000..cfa74b57f17da1b31061df6a45b968f867a8a5a3 --- /dev/null +++ b/Bacteria/O53824/O53824.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b03a860ffc70f0070f0cbf95a53f5be6ab8885e1402e8f094cacaad2160ca925 +size 8000276 diff --git a/Bacteria/O53824/top.pdb b/Bacteria/O53824/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2033c7b2e1108683a340dbea6cfc9f11668d436b --- /dev/null +++ b/Bacteria/O53824/top.pdb @@ -0,0 +1,64 @@ +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 1 248.811 271.554 233.035 1.00 0.00 C +ATOM 2 CA GLY A 2 247.986 270.082 236.452 1.00 0.00 C +ATOM 3 CA ARG A 3 247.511 266.916 238.517 1.00 0.00 C +ATOM 4 CA GLY A 4 247.708 267.564 242.266 1.00 0.00 C +ATOM 5 CA ARG A 5 249.522 269.079 245.255 1.00 0.00 C +ATOM 6 CA ALA A 6 252.558 271.331 244.780 1.00 0.00 C +ATOM 7 CA LYS A 7 256.244 270.523 244.253 1.00 0.00 C +ATOM 8 CA ALA A 8 256.437 267.258 242.299 1.00 0.00 C +ATOM 9 CA LYS A 9 257.190 264.656 239.620 1.00 0.00 C +ATOM 10 CA GLN A 10 256.827 261.952 236.960 1.00 0.00 C +ATOM 11 CA THR A 11 257.465 258.270 236.221 1.00 0.00 C +ATOM 12 CA LYS A 12 254.728 256.184 234.584 1.00 0.00 C +ATOM 13 CA VAL A 13 252.434 258.467 232.573 1.00 0.00 C +ATOM 14 CA ALA A 14 248.942 259.538 233.656 1.00 0.00 C +ATOM 15 CA ARG A 15 246.238 257.185 232.364 1.00 0.00 C +ATOM 16 CA GLU A 16 244.385 255.971 229.264 1.00 0.00 C +ATOM 17 CA LEU A 17 241.541 256.389 226.764 1.00 0.00 C +ATOM 18 CA LYS A 18 239.022 258.801 228.299 1.00 0.00 C +ATOM 19 CA TYR A 19 237.072 257.419 231.266 1.00 0.00 C +ATOM 20 CA SER A 20 234.468 255.835 233.552 1.00 0.00 C +ATOM 21 CA SER A 21 232.377 252.703 232.973 1.00 0.00 C +ATOM 22 CA PRO A 22 234.928 249.911 232.517 1.00 0.00 C +ATOM 23 CA GLN A 23 238.414 248.502 233.138 1.00 0.00 C +ATOM 24 CA THR A 24 240.416 250.698 235.522 1.00 0.00 C +ATOM 25 CA ASP A 25 238.787 252.776 238.269 1.00 0.00 C +ATOM 26 CA PHE A 26 239.647 253.412 241.926 1.00 0.00 C +ATOM 27 CA GLN A 27 241.777 253.578 245.080 1.00 0.00 C +ATOM 28 CA ARG A 28 240.503 251.436 247.962 1.00 0.00 C +ATOM 29 CA LEU A 29 237.247 252.625 249.541 1.00 0.00 C +ATOM 30 CA GLN A 30 235.094 250.603 251.948 1.00 0.00 C +ATOM 31 CA ARG A 31 235.405 246.892 252.751 1.00 0.00 C +ATOM 32 CA GLU A 32 236.570 243.805 250.846 1.00 0.00 C +ATOM 33 CA LEU A 33 239.973 242.313 250.002 1.00 0.00 C +ATOM 34 CA SER A 34 241.813 238.980 250.153 1.00 0.00 C +ATOM 35 CA GLY A 35 245.390 239.463 248.934 1.00 0.00 C +ATOM 36 CA THR A 36 247.481 236.554 247.636 1.00 0.00 C +ATOM 37 CA GLY A 37 248.495 234.348 250.572 1.00 0.00 C +ATOM 38 CA THR A 38 249.081 231.825 253.366 1.00 0.00 C +ATOM 39 CA ASP A 39 251.279 229.659 255.601 1.00 0.00 C +ATOM 40 CA ARG A 40 254.436 231.248 257.026 1.00 0.00 C +ATOM 41 CA LEU A 41 256.464 229.572 259.782 1.00 0.00 C +ATOM 42 CA ASP A 42 259.768 228.589 258.161 1.00 0.00 C +ATOM 43 CA GLY A 43 262.548 231.048 259.022 1.00 0.00 C +ATOM 44 CA ASP A 44 263.480 230.532 262.679 1.00 0.00 C +ATOM 45 CA GLY A 45 260.624 230.787 265.188 1.00 0.00 C +ATOM 46 CA PRO A 46 260.957 233.444 267.899 1.00 0.00 C +ATOM 47 CA SER A 47 258.776 235.889 269.845 1.00 0.00 C +ATOM 48 CA ASP A 48 257.285 239.031 268.289 1.00 0.00 C +ATOM 49 CA ASP A 49 256.094 242.543 267.417 1.00 0.00 C +ATOM 50 CA ASP A 50 252.369 243.135 266.880 1.00 0.00 C +ATOM 51 CA SER A 51 251.297 246.769 267.285 1.00 0.00 C +ATOM 52 CA TRP A 52 253.211 250.064 267.271 1.00 0.00 C +ATOM 53 CA ASN A 53 255.711 252.929 267.509 1.00 0.00 C +ATOM 54 CA ASP A 54 256.832 255.702 269.869 1.00 0.00 C +ATOM 55 CA GLU A 55 260.439 255.630 271.095 1.00 0.00 C +ATOM 56 CA ASP A 56 262.365 253.348 268.729 1.00 0.00 C +ATOM 57 CA ASP A 57 265.177 251.443 270.454 1.00 0.00 C +ATOM 58 CA TRP A 58 267.746 250.500 273.106 1.00 0.00 C +ATOM 59 CA ARG A 59 267.095 248.111 276.002 1.00 0.00 C +ATOM 60 CA ARG A 60 265.561 244.631 275.775 1.00 0.00 C +TER 61 ARG A 60 +END diff --git a/Bacteria/O54123/O54123.dcd b/Bacteria/O54123/O54123.dcd new file mode 100644 index 0000000000000000000000000000000000000000..eee43d4bf8dfdd9c047c1b2916508002a5e41ce2 --- /dev/null +++ b/Bacteria/O54123/O54123.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c774c6962697d14fd92cfdb4d16df4bc2b302feb4f818937f2310b27849e5828 +size 9560276 diff --git a/Bacteria/O54123/top.pdb b/Bacteria/O54123/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..688dd8a90bf18194a77caf0df03e712ab0ba4aa2 --- /dev/null +++ b/Bacteria/O54123/top.pdb @@ -0,0 +1,77 @@ +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 1 268.596 279.074 288.421 1.00 0.00 C +ATOM 2 CA TRP A 2 268.831 281.031 285.161 1.00 0.00 C +ATOM 3 CA HIS A 3 266.243 281.337 282.382 1.00 0.00 C +ATOM 4 CA GLN A 4 267.481 282.638 279.022 1.00 0.00 C +ATOM 5 CA VAL A 5 264.748 284.832 277.527 1.00 0.00 C +ATOM 6 CA GLY A 6 264.059 284.621 273.786 1.00 0.00 C +ATOM 7 CA ARG A 7 261.507 283.435 271.218 1.00 0.00 C +ATOM 8 CA SER A 8 258.847 282.842 268.556 1.00 0.00 C +ATOM 9 CA SER A 9 259.893 280.146 266.076 1.00 0.00 C +ATOM 10 CA GLY A 10 260.870 279.461 262.457 1.00 0.00 C +ATOM 11 CA ALA A 11 258.732 278.193 259.570 1.00 0.00 C +ATOM 12 CA ALA A 12 259.304 278.508 255.817 1.00 0.00 C +ATOM 13 CA GLY A 13 259.219 278.213 252.019 1.00 0.00 C +ATOM 14 CA VAL A 14 261.516 276.556 249.471 1.00 0.00 C +ATOM 15 CA GLY A 15 265.126 276.821 248.284 1.00 0.00 C +ATOM 16 CA GLY A 16 266.623 276.218 244.833 1.00 0.00 C +ATOM 17 CA ASP A 17 265.360 275.797 241.263 1.00 0.00 C +ATOM 18 CA ASP A 18 263.406 276.974 238.211 1.00 0.00 C +ATOM 19 CA VAL A 19 262.167 273.849 236.418 1.00 0.00 C +ATOM 20 CA ASP A 20 260.036 270.793 237.214 1.00 0.00 C +ATOM 21 CA ASP A 21 256.843 269.880 239.082 1.00 0.00 C +ATOM 22 CA GLY A 22 257.188 266.703 241.157 1.00 0.00 C +ATOM 23 CA ALA A 23 257.711 263.446 239.250 1.00 0.00 C +ATOM 24 CA ARG A 24 259.788 260.743 240.952 1.00 0.00 C +ATOM 25 CA ARG A 25 261.858 257.574 240.516 1.00 0.00 C +ATOM 26 CA ARG A 26 265.541 257.677 239.544 1.00 0.00 C +ATOM 27 CA VAL A 27 266.225 256.310 236.055 1.00 0.00 C +ATOM 28 CA GLY A 28 267.428 253.789 233.463 1.00 0.00 C +ATOM 29 CA ASP A 29 264.674 252.025 231.508 1.00 0.00 C +ATOM 30 CA LEU A 30 264.766 248.291 230.756 1.00 0.00 C +ATOM 31 CA ILE A 31 265.470 245.155 232.801 1.00 0.00 C +ATOM 32 CA SER A 32 264.083 241.659 232.195 1.00 0.00 C +ATOM 33 CA GLN A 33 261.714 240.782 235.048 1.00 0.00 C +ATOM 34 CA ALA A 34 258.790 238.365 235.396 1.00 0.00 C +ATOM 35 CA GLU A 35 257.700 234.749 234.894 1.00 0.00 C +ATOM 36 CA ARG A 36 255.660 231.553 235.272 1.00 0.00 C +ATOM 37 CA GLU A 37 251.991 232.538 235.566 1.00 0.00 C +ATOM 38 CA GLY A 38 251.537 236.065 234.197 1.00 0.00 C +ATOM 39 CA ASP A 39 248.299 238.049 234.502 1.00 0.00 C +ATOM 40 CA PRO A 40 244.510 238.406 234.326 1.00 0.00 C +ATOM 41 CA GLU A 41 241.604 236.185 233.259 1.00 0.00 C +ATOM 42 CA GLN A 42 238.299 235.093 234.808 1.00 0.00 C +ATOM 43 CA ALA A 43 235.486 234.159 232.415 1.00 0.00 C +ATOM 44 CA ALA A 44 232.982 231.895 234.181 1.00 0.00 C +ATOM 45 CA ARG A 45 229.449 232.740 235.330 1.00 0.00 C +ATOM 46 CA SER A 46 228.243 234.816 238.289 1.00 0.00 C +ATOM 47 CA THR A 47 226.887 232.900 241.289 1.00 0.00 C +ATOM 48 CA VAL A 48 229.072 230.872 243.662 1.00 0.00 C +ATOM 49 CA SER A 49 231.931 230.354 246.127 1.00 0.00 C +ATOM 50 CA SER A 50 234.463 233.104 245.388 1.00 0.00 C +ATOM 51 CA GLY A 51 236.673 235.729 243.733 1.00 0.00 C +ATOM 52 CA SER A 52 234.975 237.904 241.106 1.00 0.00 C +ATOM 53 CA GLY A 53 232.786 240.594 242.683 1.00 0.00 C +ATOM 54 CA GLY A 54 232.364 243.714 244.828 1.00 0.00 C +ATOM 55 CA GLY A 55 235.709 244.681 246.375 1.00 0.00 C +ATOM 56 CA GLY A 56 235.165 244.956 250.136 1.00 0.00 C +ATOM 57 CA VAL A 57 235.273 244.070 253.840 1.00 0.00 C +ATOM 58 CA ARG A 58 233.356 240.888 254.687 1.00 0.00 C +ATOM 59 CA VAL A 59 230.459 238.450 255.106 1.00 0.00 C +ATOM 60 CA ILE A 60 229.991 235.347 257.267 1.00 0.00 C +ATOM 61 CA GLY A 61 232.287 233.170 259.389 1.00 0.00 C +ATOM 62 CA SER A 62 235.508 231.466 260.501 1.00 0.00 C +ATOM 63 CA HIS A 63 236.062 228.661 263.020 1.00 0.00 C +ATOM 64 CA ARG A 64 236.142 225.366 261.110 1.00 0.00 C +ATOM 65 CA GLY A 65 239.200 225.446 258.837 1.00 0.00 C +ATOM 66 CA ARG A 66 242.501 227.247 259.448 1.00 0.00 C +ATOM 67 CA ARG A 67 245.729 226.684 261.392 1.00 0.00 C +ATOM 68 CA CYS A 68 247.219 229.649 263.263 1.00 0.00 C +ATOM 69 CA CYS A 69 248.035 230.215 266.941 1.00 0.00 C +ATOM 70 CA ARG A 70 247.092 231.249 270.485 1.00 0.00 C +ATOM 71 CA GLY A 71 245.748 228.321 272.519 1.00 0.00 C +ATOM 72 CA ARG A 72 243.488 225.629 271.048 1.00 0.00 C +ATOM 73 CA SER A 73 241.488 223.349 273.353 1.00 0.00 C +TER 74 SER A 73 +END diff --git a/Bacteria/O54669/O54669.dcd b/Bacteria/O54669/O54669.dcd new file mode 100644 index 0000000000000000000000000000000000000000..5a76e7f1c1c7576555a94044c11456e31c93e907 --- /dev/null +++ b/Bacteria/O54669/O54669.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9cab7a3eb75251da4c742b5e6a56e3858102963450d23a533e7d1c2b984872b2 +size 7040276 diff --git a/Bacteria/O54669/top.pdb b/Bacteria/O54669/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3c75818816c654cda6ac3de6fa4d65fa8e99d7fb --- /dev/null +++ b/Bacteria/O54669/top.pdb @@ -0,0 +1,56 @@ +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 1 246.564 263.783 232.681 1.00 0.00 C +ATOM 2 CA ALA A 2 246.839 261.165 229.927 1.00 0.00 C +ATOM 3 CA GLU A 3 248.379 258.433 227.762 1.00 0.00 C +ATOM 4 CA LEU A 4 249.401 254.839 227.018 1.00 0.00 C +ATOM 5 CA GLU A 5 249.316 251.073 226.449 1.00 0.00 C +ATOM 6 CA SER A 6 251.446 248.488 228.266 1.00 0.00 C +ATOM 7 CA LYS A 7 254.927 249.004 229.725 1.00 0.00 C +ATOM 8 CA ILE A 8 257.766 248.342 227.272 1.00 0.00 C +ATOM 9 CA GLN A 9 261.057 246.806 228.423 1.00 0.00 C +ATOM 10 CA GLU A 10 260.791 243.055 229.037 1.00 0.00 C +ATOM 11 CA THR A 11 257.789 240.822 228.317 1.00 0.00 C +ATOM 12 CA GLN A 12 255.042 239.869 230.779 1.00 0.00 C +ATOM 13 CA LYS A 13 252.321 239.404 233.405 1.00 0.00 C +ATOM 14 CA LYS A 14 250.865 240.849 236.616 1.00 0.00 C +ATOM 15 CA LEU A 15 250.464 240.041 240.318 1.00 0.00 C +ATOM 16 CA ASP A 16 251.836 242.470 242.913 1.00 0.00 C +ATOM 17 CA TYR A 17 249.286 243.996 245.298 1.00 0.00 C +ATOM 18 CA GLU A 18 246.406 244.494 247.742 1.00 0.00 C +ATOM 19 CA ASN A 19 245.072 245.100 251.259 1.00 0.00 C +ATOM 20 CA MET A 20 244.583 241.840 253.169 1.00 0.00 C +ATOM 21 CA PRO A 21 242.542 241.600 256.377 1.00 0.00 C +ATOM 22 CA SER A 22 240.478 239.826 259.044 1.00 0.00 C +ATOM 23 CA GLY A 23 241.686 236.951 261.233 1.00 0.00 C +ATOM 24 CA GLY A 24 243.157 237.031 264.746 1.00 0.00 C +ATOM 25 CA GLY A 25 245.111 238.914 267.421 1.00 0.00 C +ATOM 26 CA LEU A 26 246.715 242.004 268.968 1.00 0.00 C +ATOM 27 CA HIS A 27 250.492 242.155 269.442 1.00 0.00 C +ATOM 28 CA SER A 28 251.781 241.313 272.927 1.00 0.00 C +ATOM 29 CA ASP A 29 255.378 240.056 272.946 1.00 0.00 C +ATOM 30 CA ASP A 30 258.354 239.733 270.589 1.00 0.00 C +ATOM 31 CA GLU A 31 258.864 241.303 267.155 1.00 0.00 C +ATOM 32 CA ASP A 32 261.524 242.509 264.708 1.00 0.00 C +ATOM 33 CA ASP A 33 261.501 243.560 261.046 1.00 0.00 C +ATOM 34 CA THR A 34 262.709 241.404 258.146 1.00 0.00 C +ATOM 35 CA VAL A 35 261.579 243.168 254.963 1.00 0.00 C +ATOM 36 CA ALA A 36 259.201 246.143 255.079 1.00 0.00 C +ATOM 37 CA ARG A 37 255.508 245.212 255.009 1.00 0.00 C +ATOM 38 CA LYS A 38 252.257 247.197 254.936 1.00 0.00 C +ATOM 39 CA LEU A 39 250.183 249.251 252.487 1.00 0.00 C +ATOM 40 CA MET A 40 247.745 251.380 250.477 1.00 0.00 C +ATOM 41 CA SER A 41 245.098 252.637 252.912 1.00 0.00 C +ATOM 42 CA GLU A 42 244.496 256.041 254.513 1.00 0.00 C +ATOM 43 CA LYS A 43 246.843 258.972 255.162 1.00 0.00 C +ATOM 44 CA GLU A 44 245.500 262.116 256.844 1.00 0.00 C +ATOM 45 CA ALA A 45 247.932 264.346 258.749 1.00 0.00 C +ATOM 46 CA LEU A 46 248.218 268.096 258.142 1.00 0.00 C +ATOM 47 CA LYS A 47 245.214 270.359 258.757 1.00 0.00 C +ATOM 48 CA ALA A 48 241.465 269.685 258.702 1.00 0.00 C +ATOM 49 CA GLU A 49 239.375 271.477 256.068 1.00 0.00 C +ATOM 50 CA LEU A 50 238.895 275.049 254.832 1.00 0.00 C +ATOM 51 CA GLN A 51 239.511 276.677 251.443 1.00 0.00 C +ATOM 52 CA LYS A 52 240.536 279.959 249.801 1.00 0.00 C +TER 53 LYS A 52 +END diff --git a/Bacteria/O66563/O66563.dcd b/Bacteria/O66563/O66563.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d2617f4f561c972dbd34cdeb8c1e5797a55a56f2 --- /dev/null +++ b/Bacteria/O66563/O66563.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6932291b2d2aa5aa4cf69ccb6f3ba26fc47a7aabed71ccc3a580f9e6af0a1696 +size 6440276 diff --git a/Bacteria/O66563/top.pdb b/Bacteria/O66563/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4ec3610c7d0a2454b400030b908d7a3f47655271 --- /dev/null +++ b/Bacteria/O66563/top.pdb @@ -0,0 +1,51 @@ +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 1 227.708 265.767 235.218 1.00 0.00 C +ATOM 2 CA VAL A 2 226.472 262.313 234.189 1.00 0.00 C +ATOM 3 CA THR A 3 227.722 258.942 235.448 1.00 0.00 C +ATOM 4 CA GLU A 4 226.078 255.557 236.046 1.00 0.00 C +ATOM 5 CA GLY A 5 227.444 253.257 238.758 1.00 0.00 C +ATOM 6 CA LEU A 6 229.146 254.512 241.927 1.00 0.00 C +ATOM 7 CA LYS A 7 226.526 256.123 244.176 1.00 0.00 C +ATOM 8 CA PRO A 8 222.886 255.151 244.745 1.00 0.00 C +ATOM 9 CA HIS A 9 221.790 256.907 247.943 1.00 0.00 C +ATOM 10 CA ILE A 10 222.129 259.484 250.729 1.00 0.00 C +ATOM 11 CA SER A 11 224.647 260.832 253.250 1.00 0.00 C +ATOM 12 CA ILE A 12 227.696 260.108 255.417 1.00 0.00 C +ATOM 13 CA LYS A 13 230.962 258.149 255.311 1.00 0.00 C +ATOM 14 CA LYS A 14 234.724 257.621 255.012 1.00 0.00 C +ATOM 15 CA LYS A 15 237.948 255.737 254.255 1.00 0.00 C +ATOM 16 CA LYS A 16 240.053 257.413 251.559 1.00 0.00 C +ATOM 17 CA ARG A 17 243.397 256.053 250.339 1.00 0.00 C +ATOM 18 CA LYS A 18 246.989 254.874 249.864 1.00 0.00 C +ATOM 19 CA SER A 19 249.923 254.810 247.434 1.00 0.00 C +ATOM 20 CA GLY A 20 250.833 251.705 245.423 1.00 0.00 C +ATOM 21 CA PHE A 21 252.140 248.522 247.060 1.00 0.00 C +ATOM 22 CA LEU A 22 251.633 245.425 244.898 1.00 0.00 C +ATOM 23 CA ALA A 23 252.151 242.238 246.920 1.00 0.00 C +ATOM 24 CA ARG A 24 253.202 240.900 250.329 1.00 0.00 C +ATOM 25 CA MET A 25 250.711 238.856 252.362 1.00 0.00 C +ATOM 26 CA ARG A 26 250.054 239.325 256.085 1.00 0.00 C +ATOM 27 CA THR A 27 252.948 238.528 258.433 1.00 0.00 C +ATOM 28 CA LYS A 28 255.026 235.416 259.147 1.00 0.00 C +ATOM 29 CA SER A 29 257.144 232.736 260.836 1.00 0.00 C +ATOM 30 CA GLY A 30 259.644 233.966 263.435 1.00 0.00 C +ATOM 31 CA ARG A 31 261.777 235.155 266.360 1.00 0.00 C +ATOM 32 CA LYS A 32 263.550 238.407 267.253 1.00 0.00 C +ATOM 33 CA ILE A 33 266.323 238.756 264.664 1.00 0.00 C +ATOM 34 CA ILE A 34 268.999 240.234 262.391 1.00 0.00 C +ATOM 35 CA ALA A 35 269.855 243.783 261.300 1.00 0.00 C +ATOM 36 CA ARG A 36 269.386 244.265 257.550 1.00 0.00 C +ATOM 37 CA ARG A 37 271.606 244.413 254.457 1.00 0.00 C +ATOM 38 CA ARG A 38 271.709 242.748 251.032 1.00 0.00 C +ATOM 39 CA ARG A 39 269.281 243.336 248.155 1.00 0.00 C +ATOM 40 CA LYS A 40 269.069 246.719 246.415 1.00 0.00 C +ATOM 41 CA GLY A 41 270.590 249.115 243.873 1.00 0.00 C +ATOM 42 CA ARG A 42 271.326 252.704 242.826 1.00 0.00 C +ATOM 43 CA LYS A 43 273.894 255.503 242.532 1.00 0.00 C +ATOM 44 CA ARG A 44 272.661 258.796 241.066 1.00 0.00 C +ATOM 45 CA LEU A 45 268.985 259.517 241.763 1.00 0.00 C +ATOM 46 CA ALA A 46 266.887 257.884 244.492 1.00 0.00 C +ATOM 47 CA PRO A 47 264.374 257.436 247.321 1.00 0.00 C +TER 48 PRO A 47 +END diff --git a/Bacteria/O68192/O68192.dcd b/Bacteria/O68192/O68192.dcd new file mode 100644 index 0000000000000000000000000000000000000000..cdc709c8dbcd56cfd17ad57aadcfa9bcd2a1b000 --- /dev/null +++ b/Bacteria/O68192/O68192.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:77f073949a3cbc39a362227555cd7f88468689fa13e3824b106ce3758a51e6c5 +size 17480276 diff --git a/Bacteria/O68192/top.pdb b/Bacteria/O68192/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8785aa6d3771bd1373a010ee92ee2bf3703318fd --- /dev/null +++ b/Bacteria/O68192/top.pdb @@ -0,0 +1,143 @@ +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 1 306.293 218.080 241.257 1.00 0.00 C +ATOM 2 CA ASN A 2 306.086 219.359 244.840 1.00 0.00 C +ATOM 3 CA ASN A 3 306.147 220.917 248.317 1.00 0.00 C +ATOM 4 CA ASN A 4 303.018 222.761 249.468 1.00 0.00 C +ATOM 5 CA ARG A 5 299.737 222.794 247.532 1.00 0.00 C +ATOM 6 CA ASN A 6 297.964 224.893 244.892 1.00 0.00 C +ATOM 7 CA LYS A 7 295.049 227.181 245.776 1.00 0.00 C +ATOM 8 CA THR A 8 296.159 230.713 246.677 1.00 0.00 C +ATOM 9 CA GLN A 9 296.901 233.459 249.211 1.00 0.00 C +ATOM 10 CA ALA A 10 297.222 236.876 247.555 1.00 0.00 C +ATOM 11 CA GLY A 11 298.568 239.732 249.687 1.00 0.00 C +ATOM 12 CA THR A 12 296.975 240.446 253.074 1.00 0.00 C +ATOM 13 CA ASN A 13 294.783 241.504 256.005 1.00 0.00 C +ATOM 14 CA ILE A 14 291.640 243.108 257.442 1.00 0.00 C +ATOM 15 CA ASN A 15 290.472 246.048 259.565 1.00 0.00 C +ATOM 16 CA GLN A 16 287.545 246.071 262.004 1.00 0.00 C +ATOM 17 CA VAL A 17 284.528 247.478 260.151 1.00 0.00 C +ATOM 18 CA LYS A 18 281.718 248.109 262.645 1.00 0.00 C +ATOM 19 CA LYS A 19 278.348 248.385 264.401 1.00 0.00 C +ATOM 20 CA GLN A 20 275.386 250.780 264.467 1.00 0.00 C +ATOM 21 CA ASN A 21 272.482 250.393 266.903 1.00 0.00 C +ATOM 22 CA ALA A 22 269.356 251.753 265.203 1.00 0.00 C +ATOM 23 CA ALA A 23 266.482 252.770 267.489 1.00 0.00 C +ATOM 24 CA SER A 24 263.297 250.685 267.636 1.00 0.00 C +ATOM 25 CA ALA A 25 259.565 251.002 268.332 1.00 0.00 C +ATOM 26 CA GLN A 26 258.321 254.226 266.727 1.00 0.00 C +ATOM 27 CA GLY A 27 260.549 256.139 264.300 1.00 0.00 C +ATOM 28 CA GLN A 28 258.706 258.051 261.567 1.00 0.00 C +ATOM 29 CA GLN A 29 259.150 257.574 257.813 1.00 0.00 C +ATOM 30 CA TYR A 30 258.867 260.318 255.185 1.00 0.00 C +ATOM 31 CA GLN A 31 259.339 263.760 256.748 1.00 0.00 C +ATOM 32 CA THR A 32 261.508 266.705 255.681 1.00 0.00 C +ATOM 33 CA GLU A 33 263.145 269.361 257.868 1.00 0.00 C +ATOM 34 CA PHE A 34 262.115 273.029 257.824 1.00 0.00 C +ATOM 35 CA ALA A 35 261.329 276.438 256.315 1.00 0.00 C +ATOM 36 CA SER A 36 264.083 278.891 257.273 1.00 0.00 C +ATOM 37 CA GLU A 37 267.153 277.944 259.321 1.00 0.00 C +ATOM 38 CA THR A 38 269.237 280.175 261.600 1.00 0.00 C +ATOM 39 CA ASN A 39 271.536 282.917 262.909 1.00 0.00 C +ATOM 40 CA ALA A 40 271.432 284.041 266.548 1.00 0.00 C +ATOM 41 CA GLN A 41 273.076 283.846 269.980 1.00 0.00 C +ATOM 42 CA GLU A 42 275.616 283.804 272.819 1.00 0.00 C +ATOM 43 CA VAL A 43 278.737 285.956 273.194 1.00 0.00 C +ATOM 44 CA ARG A 44 281.388 288.532 272.271 1.00 0.00 C +ATOM 45 CA GLN A 45 283.560 291.357 270.923 1.00 0.00 C +ATOM 46 CA GLN A 46 287.358 291.317 270.617 1.00 0.00 C +ATOM 47 CA ASN A 47 290.541 289.236 270.846 1.00 0.00 C +ATOM 48 CA ALA A 48 290.237 285.818 269.191 1.00 0.00 C +ATOM 49 CA ALA A 49 286.634 284.579 269.230 1.00 0.00 C +ATOM 50 CA SER A 50 283.462 282.488 269.512 1.00 0.00 C +ATOM 51 CA ALA A 51 281.719 279.834 267.407 1.00 0.00 C +ATOM 52 CA GLN A 52 281.560 276.164 266.395 1.00 0.00 C +ATOM 53 CA ALA A 53 279.438 274.368 263.790 1.00 0.00 C +ATOM 54 CA GLN A 54 277.647 271.147 262.821 1.00 0.00 C +ATOM 55 CA ARG A 55 276.537 269.527 266.085 1.00 0.00 C +ATOM 56 CA ASN A 56 274.896 269.873 269.507 1.00 0.00 C +ATOM 57 CA ARG A 57 272.077 267.443 270.322 1.00 0.00 C +ATOM 58 CA ASN A 58 269.087 269.231 271.864 1.00 0.00 C +ATOM 59 CA ALA A 59 265.734 269.391 273.668 1.00 0.00 C +ATOM 60 CA ALA A 60 264.376 265.863 274.134 1.00 0.00 C +ATOM 61 CA SER A 61 261.005 264.135 274.549 1.00 0.00 C +ATOM 62 CA ASN A 62 259.679 262.484 271.382 1.00 0.00 C +ATOM 63 CA VAL A 63 257.840 261.540 268.181 1.00 0.00 C +ATOM 64 CA ASN A 64 254.957 260.726 265.826 1.00 0.00 C +ATOM 65 CA GLN A 65 251.360 259.997 264.805 1.00 0.00 C +ATOM 66 CA GLN A 66 250.050 257.509 262.235 1.00 0.00 C +ATOM 67 CA TYR A 67 247.777 254.594 263.158 1.00 0.00 C +ATOM 68 CA ALA A 68 248.482 251.057 261.928 1.00 0.00 C +ATOM 69 CA ALA A 69 246.563 247.977 260.767 1.00 0.00 C +ATOM 70 CA GLU A 70 246.225 244.182 260.766 1.00 0.00 C +ATOM 71 CA PHE A 71 247.452 240.594 261.136 1.00 0.00 C +ATOM 72 CA ALA A 72 248.761 238.103 258.567 1.00 0.00 C +ATOM 73 CA SER A 73 248.626 238.064 254.760 1.00 0.00 C +ATOM 74 CA GLU A 74 246.658 241.005 253.346 1.00 0.00 C +ATOM 75 CA THR A 75 244.587 244.101 254.146 1.00 0.00 C +ATOM 76 CA ASN A 76 244.969 247.844 254.749 1.00 0.00 C +ATOM 77 CA ALA A 77 245.867 249.966 251.715 1.00 0.00 C +ATOM 78 CA GLN A 78 243.413 252.690 250.678 1.00 0.00 C +ATOM 79 CA GLU A 79 242.522 253.958 247.197 1.00 0.00 C +ATOM 80 CA VAL A 80 240.155 255.561 244.678 1.00 0.00 C +ATOM 81 CA ARG A 81 237.908 253.369 242.519 1.00 0.00 C +ATOM 82 CA GLN A 82 234.492 252.545 243.990 1.00 0.00 C +ATOM 83 CA GLN A 83 233.026 249.148 243.076 1.00 0.00 C +ATOM 84 CA ASN A 84 229.715 247.478 242.204 1.00 0.00 C +ATOM 85 CA ALA A 85 227.324 247.606 239.241 1.00 0.00 C +ATOM 86 CA ALA A 86 226.556 244.246 237.616 1.00 0.00 C +ATOM 87 CA SER A 87 224.828 243.711 234.263 1.00 0.00 C +ATOM 88 CA ARG A 88 225.781 242.667 230.725 1.00 0.00 C +ATOM 89 CA ASN A 89 228.378 244.735 228.856 1.00 0.00 C +ATOM 90 CA ALA A 90 231.530 245.785 226.991 1.00 0.00 C +ATOM 91 CA ASN A 91 233.617 243.418 224.856 1.00 0.00 C +ATOM 92 CA ALA A 92 237.077 241.846 224.584 1.00 0.00 C +ATOM 93 CA THR A 93 240.095 241.362 226.859 1.00 0.00 C +ATOM 94 CA SER A 94 242.374 240.264 229.708 1.00 0.00 C +ATOM 95 CA GLY A 95 243.322 239.189 233.238 1.00 0.00 C +ATOM 96 CA GLN A 96 242.281 240.078 236.794 1.00 0.00 C +ATOM 97 CA ALA A 97 240.803 237.604 239.287 1.00 0.00 C +ATOM 98 CA GLN A 98 239.254 234.124 239.293 1.00 0.00 C +ATOM 99 CA ARG A 99 238.795 232.716 235.783 1.00 0.00 C +ATOM 100 CA ASN A 100 236.781 235.313 233.855 1.00 0.00 C +ATOM 101 CA PHE A 101 235.540 238.547 235.441 1.00 0.00 C +ATOM 102 CA ALA A 102 232.253 240.145 234.365 1.00 0.00 C +ATOM 103 CA ALA A 103 228.850 238.880 235.522 1.00 0.00 C +ATOM 104 CA GLN A 104 225.533 237.108 236.133 1.00 0.00 C +ATOM 105 CA SER A 105 225.318 233.504 234.915 1.00 0.00 C +ATOM 106 CA GLN A 106 225.327 229.887 236.110 1.00 0.00 C +ATOM 107 CA GLN A 107 225.638 229.362 239.871 1.00 0.00 C +ATOM 108 CA TYR A 108 224.768 232.720 241.449 1.00 0.00 C +ATOM 109 CA ARG A 109 227.688 233.994 243.538 1.00 0.00 C +ATOM 110 CA ALA A 110 226.938 236.121 246.608 1.00 0.00 C +ATOM 111 CA GLU A 111 225.510 235.168 250.009 1.00 0.00 C +ATOM 112 CA PHE A 112 222.005 236.132 251.152 1.00 0.00 C +ATOM 113 CA ALA A 113 218.663 235.627 249.395 1.00 0.00 C +ATOM 114 CA SER A 114 217.055 235.109 245.979 1.00 0.00 C +ATOM 115 CA GLU A 115 215.939 237.654 243.373 1.00 0.00 C +ATOM 116 CA THR A 116 217.426 241.101 242.723 1.00 0.00 C +ATOM 117 CA ASP A 117 216.181 244.692 242.452 1.00 0.00 C +ATOM 118 CA VAL A 118 213.196 245.692 244.598 1.00 0.00 C +ATOM 119 CA GLN A 119 210.076 247.407 245.954 1.00 0.00 C +ATOM 120 CA GLN A 120 207.325 249.059 243.900 1.00 0.00 C +ATOM 121 CA VAL A 121 204.655 247.121 241.994 1.00 0.00 C +ATOM 122 CA LYS A 122 205.789 244.063 240.026 1.00 0.00 C +ATOM 123 CA LYS A 123 203.797 242.382 237.246 1.00 0.00 C +ATOM 124 CA GLN A 124 204.299 240.910 233.768 1.00 0.00 C +ATOM 125 CA ASN A 125 206.179 243.317 231.489 1.00 0.00 C +ATOM 126 CA ALA A 126 208.055 243.889 228.223 1.00 0.00 C +ATOM 127 CA GLN A 127 205.731 244.699 225.315 1.00 0.00 C +ATOM 128 CA SER A 128 202.034 245.523 224.901 1.00 0.00 C +ATOM 129 CA GLN A 129 198.975 244.807 227.056 1.00 0.00 C +ATOM 130 CA ALA A 130 199.425 241.394 228.687 1.00 0.00 C +ATOM 131 CA ARG A 131 202.004 239.579 226.549 1.00 0.00 C +ATOM 132 CA LYS A 132 204.068 236.389 226.836 1.00 0.00 C +ATOM 133 CA LYS A 133 207.541 237.291 228.116 1.00 0.00 C +ATOM 134 CA ASN A 134 209.835 234.424 227.100 1.00 0.00 C +ATOM 135 CA SER A 135 212.168 232.690 224.637 1.00 0.00 C +ATOM 136 CA SER A 136 210.562 229.439 223.468 1.00 0.00 C +ATOM 137 CA PHE A 137 208.685 226.218 222.680 1.00 0.00 C +ATOM 138 CA ASN A 138 205.048 225.285 222.032 1.00 0.00 C +ATOM 139 CA GLN A 139 203.159 224.741 225.295 1.00 0.00 C +TER 140 GLN A 139 +END diff --git a/Bacteria/O68193/O68193.dcd b/Bacteria/O68193/O68193.dcd new file mode 100644 index 0000000000000000000000000000000000000000..aca5d82000426bb9e5c9336fcfa715503c67339b --- /dev/null +++ b/Bacteria/O68193/O68193.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:752a894ce8f25d7fb15b8908582e0dae6f678876b010f59909944fc7f39129c5 +size 8000276 diff --git a/Bacteria/O68193/top.pdb b/Bacteria/O68193/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..938f8cb80ec1b84a15e974262f1d2aff20730821 --- /dev/null +++ b/Bacteria/O68193/top.pdb @@ -0,0 +1,64 @@ +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 1 243.704 261.855 254.107 1.00 0.00 C +ATOM 2 CA ALA A 2 240.571 263.922 253.454 1.00 0.00 C +ATOM 3 CA LYS A 3 240.442 267.432 254.932 1.00 0.00 C +ATOM 4 CA GLN A 4 242.901 269.972 253.512 1.00 0.00 C +ATOM 5 CA PRO A 5 245.266 272.912 252.981 1.00 0.00 C +ATOM 6 CA LYS A 6 243.745 276.384 252.600 1.00 0.00 C +ATOM 7 CA GLN A 7 245.976 279.016 254.216 1.00 0.00 C +ATOM 8 CA ASN A 8 246.787 282.640 253.363 1.00 0.00 C +ATOM 9 CA LYS A 9 248.685 283.200 250.108 1.00 0.00 C +ATOM 10 CA THR A 10 252.273 283.991 251.118 1.00 0.00 C +ATOM 11 CA ALA A 11 253.721 282.470 254.297 1.00 0.00 C +ATOM 12 CA ALA A 12 254.316 279.854 257.002 1.00 0.00 C +ATOM 13 CA GLY A 13 255.317 276.231 257.626 1.00 0.00 C +ATOM 14 CA THR A 14 252.180 274.201 256.881 1.00 0.00 C +ATOM 15 CA ASP A 15 249.819 271.293 257.576 1.00 0.00 C +ATOM 16 CA LYS A 16 251.001 267.673 257.682 1.00 0.00 C +ATOM 17 CA LYS A 17 252.337 265.597 254.780 1.00 0.00 C +ATOM 18 CA HIS A 18 252.184 262.101 253.273 1.00 0.00 C +ATOM 19 CA VAL A 19 249.499 259.405 253.078 1.00 0.00 C +ATOM 20 CA LYS A 20 248.336 255.921 252.066 1.00 0.00 C +ATOM 21 CA GLN A 21 248.379 253.162 249.439 1.00 0.00 C +ATOM 22 CA GLN A 22 245.339 251.338 248.043 1.00 0.00 C +ATOM 23 CA ASN A 23 242.276 253.177 249.368 1.00 0.00 C +ATOM 24 CA GLN A 24 241.387 252.966 253.067 1.00 0.00 C +ATOM 25 CA GLN A 25 238.622 251.072 254.879 1.00 0.00 C +ATOM 26 CA ALA A 26 236.480 248.183 256.137 1.00 0.00 C +ATOM 27 CA ALA A 27 238.547 246.370 258.774 1.00 0.00 C +ATOM 28 CA GLN A 28 240.668 243.304 257.989 1.00 0.00 C +ATOM 29 CA GLN A 29 241.144 239.598 257.245 1.00 0.00 C +ATOM 30 CA ASN A 30 241.031 237.054 254.412 1.00 0.00 C +ATOM 31 CA GLN A 31 243.417 237.605 251.494 1.00 0.00 C +ATOM 32 CA ASN A 32 243.158 234.421 249.418 1.00 0.00 C +ATOM 33 CA GLN A 33 243.460 231.357 251.662 1.00 0.00 C +ATOM 34 CA GLN A 34 243.909 228.074 249.780 1.00 0.00 C +ATOM 35 CA TYR A 35 244.210 228.471 246.003 1.00 0.00 C +ATOM 36 CA GLY A 36 241.603 228.236 243.234 1.00 0.00 C +ATOM 37 CA ALA A 37 238.436 230.320 242.856 1.00 0.00 C +ATOM 38 CA GLU A 38 239.152 234.028 243.362 1.00 0.00 C +ATOM 39 CA PHE A 39 242.102 236.168 242.251 1.00 0.00 C +ATOM 40 CA ALA A 40 245.889 236.472 241.976 1.00 0.00 C +ATOM 41 CA SER A 41 247.490 239.147 244.167 1.00 0.00 C +ATOM 42 CA GLN A 42 251.274 239.554 243.979 1.00 0.00 C +ATOM 43 CA THR A 43 253.004 242.158 246.156 1.00 0.00 C +ATOM 44 CA ASP A 44 251.932 244.954 248.512 1.00 0.00 C +ATOM 45 CA ALA A 45 252.915 246.295 251.940 1.00 0.00 C +ATOM 46 CA GLN A 46 255.586 245.964 254.637 1.00 0.00 C +ATOM 47 CA GLN A 47 258.290 244.911 257.106 1.00 0.00 C +ATOM 48 CA VAL A 48 260.743 242.056 257.697 1.00 0.00 C +ATOM 49 CA ARG A 49 259.733 239.337 255.227 1.00 0.00 C +ATOM 50 CA GLU A 50 262.361 236.582 255.080 1.00 0.00 C +ATOM 51 CA GLN A 51 262.495 235.412 251.456 1.00 0.00 C +ATOM 52 CA ASN A 52 265.497 236.973 249.705 1.00 0.00 C +ATOM 53 CA GLN A 53 266.444 234.944 246.623 1.00 0.00 C +ATOM 54 CA GLN A 54 264.221 232.755 244.435 1.00 0.00 C +ATOM 55 CA SER A 55 263.402 230.298 241.641 1.00 0.00 C +ATOM 56 CA GLN A 56 264.878 231.840 238.485 1.00 0.00 C +ATOM 57 CA ALA A 57 262.890 233.951 236.013 1.00 0.00 C +ATOM 58 CA LYS A 58 264.452 236.098 233.281 1.00 0.00 C +ATOM 59 CA LYS A 59 262.304 236.103 230.134 1.00 0.00 C +ATOM 60 CA LYS A 60 261.820 233.226 227.683 1.00 0.00 C +TER 61 LYS A 60 +END diff --git a/Bacteria/O68194/O68194.dcd b/Bacteria/O68194/O68194.dcd new file mode 100644 index 0000000000000000000000000000000000000000..743f52fd03db479275dbbeec69ab5acd9a5e894d --- /dev/null +++ b/Bacteria/O68194/O68194.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9193af0a8d223e8df13e4d51338a382ec694fab1dfb10b3af73cab57e4c61bc4 +size 13280276 diff --git a/Bacteria/O68194/top.pdb b/Bacteria/O68194/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8b003abc9878f5d2d20a9f85fc51ed45ecd77a97 --- /dev/null +++ b/Bacteria/O68194/top.pdb @@ -0,0 +1,108 @@ +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 1 252.852 281.252 264.130 1.00 0.00 C +ATOM 2 CA GLN A 2 254.717 277.954 263.730 1.00 0.00 C +ATOM 3 CA LYS A 3 255.968 277.500 260.160 1.00 0.00 C +ATOM 4 CA LYS A 4 257.612 274.064 260.080 1.00 0.00 C +ATOM 5 CA PRO A 5 256.896 270.684 261.685 1.00 0.00 C +ATOM 6 CA LYS A 6 253.548 270.098 263.407 1.00 0.00 C +ATOM 7 CA GLN A 7 251.634 267.791 265.758 1.00 0.00 C +ATOM 8 CA ASN A 8 250.085 264.894 267.688 1.00 0.00 C +ATOM 9 CA SER A 9 250.064 261.096 267.990 1.00 0.00 C +ATOM 10 CA GLN A 10 247.710 258.532 266.439 1.00 0.00 C +ATOM 11 CA LEU A 11 244.613 256.410 267.089 1.00 0.00 C +ATOM 12 CA ASP A 12 241.428 258.473 266.751 1.00 0.00 C +ATOM 13 CA PRO A 13 239.102 256.865 264.197 1.00 0.00 C +ATOM 14 CA SER A 14 240.838 255.241 261.220 1.00 0.00 C +ATOM 15 CA MET A 15 240.367 255.037 257.444 1.00 0.00 C +ATOM 16 CA THR A 16 241.876 256.541 254.285 1.00 0.00 C +ATOM 17 CA ASP A 17 239.355 257.923 251.785 1.00 0.00 C +ATOM 18 CA ALA A 18 238.827 256.645 248.235 1.00 0.00 C +ATOM 19 CA ASN A 19 240.423 258.753 245.492 1.00 0.00 C +ATOM 20 CA GLN A 20 243.314 261.204 245.879 1.00 0.00 C +ATOM 21 CA VAL A 21 242.442 264.913 245.883 1.00 0.00 C +ATOM 22 CA LYS A 22 243.688 267.320 248.561 1.00 0.00 C +ATOM 23 CA LYS A 23 244.094 271.046 249.242 1.00 0.00 C +ATOM 24 CA GLN A 24 246.540 271.735 252.081 1.00 0.00 C +ATOM 25 CA ASN A 25 248.451 269.843 254.780 1.00 0.00 C +ATOM 26 CA ALA A 26 248.354 266.218 253.612 1.00 0.00 C +ATOM 27 CA GLN A 27 247.244 262.573 253.682 1.00 0.00 C +ATOM 28 CA SER A 28 248.878 259.941 251.465 1.00 0.00 C +ATOM 29 CA SER A 29 251.568 258.333 253.631 1.00 0.00 C +ATOM 30 CA MET A 30 253.332 258.314 257.008 1.00 0.00 C +ATOM 31 CA ASN A 31 251.666 257.008 260.176 1.00 0.00 C +ATOM 32 CA GLN A 32 254.024 255.332 262.655 1.00 0.00 C +ATOM 33 CA GLU A 33 256.293 256.797 265.343 1.00 0.00 C +ATOM 34 CA PHE A 34 258.213 259.894 264.230 1.00 0.00 C +ATOM 35 CA ALA A 35 261.680 261.390 263.725 1.00 0.00 C +ATOM 36 CA SER A 36 264.836 259.588 264.868 1.00 0.00 C +ATOM 37 CA GLU A 37 264.218 255.836 265.105 1.00 0.00 C +ATOM 38 CA THR A 38 267.310 253.615 265.268 1.00 0.00 C +ATOM 39 CA ASP A 39 268.354 251.965 268.539 1.00 0.00 C +ATOM 40 CA VAL A 40 271.416 251.153 270.655 1.00 0.00 C +ATOM 41 CA ASN A 41 274.854 251.270 269.016 1.00 0.00 C +ATOM 42 CA GLN A 42 278.620 251.737 269.349 1.00 0.00 C +ATOM 43 CA VAL A 43 280.541 254.100 267.059 1.00 0.00 C +ATOM 44 CA ARG A 44 277.854 256.262 265.440 1.00 0.00 C +ATOM 45 CA GLN A 45 275.359 258.956 264.421 1.00 0.00 C +ATOM 46 CA GLN A 46 273.302 259.961 261.376 1.00 0.00 C +ATOM 47 CA ASN A 47 270.187 260.888 259.388 1.00 0.00 C +ATOM 48 CA ALA A 48 266.495 259.997 259.097 1.00 0.00 C +ATOM 49 CA GLN A 49 264.193 261.496 256.457 1.00 0.00 C +ATOM 50 CA SER A 50 262.214 259.669 253.763 1.00 0.00 C +ATOM 51 CA ALA A 51 262.278 256.238 252.106 1.00 0.00 C +ATOM 52 CA MET A 52 262.686 255.171 248.472 1.00 0.00 C +ATOM 53 CA ASN A 53 264.042 257.257 245.586 1.00 0.00 C +ATOM 54 CA MET A 54 267.112 259.426 246.208 1.00 0.00 C +ATOM 55 CA GLN A 55 268.800 261.518 243.509 1.00 0.00 C +ATOM 56 CA SER A 56 266.687 264.673 243.197 1.00 0.00 C +ATOM 57 CA SER A 57 267.009 268.468 243.099 1.00 0.00 C +ATOM 58 CA SER A 58 264.160 269.903 241.015 1.00 0.00 C +ATOM 59 CA SER A 59 263.183 267.940 237.899 1.00 0.00 C +ATOM 60 CA ALA A 60 263.263 266.880 234.241 1.00 0.00 C +ATOM 61 CA MET A 61 263.428 263.922 231.845 1.00 0.00 C +ATOM 62 CA GLN A 62 262.221 260.425 232.759 1.00 0.00 C +ATOM 63 CA SER A 63 259.466 257.799 232.605 1.00 0.00 C +ATOM 64 CA SER A 64 255.713 258.454 232.530 1.00 0.00 C +ATOM 65 CA MET A 65 251.983 259.120 232.128 1.00 0.00 C +ATOM 66 CA ASN A 66 248.849 256.983 231.777 1.00 0.00 C +ATOM 67 CA GLU A 67 247.177 254.420 234.047 1.00 0.00 C +ATOM 68 CA GLU A 68 244.765 252.119 235.891 1.00 0.00 C +ATOM 69 CA PHE A 69 244.441 251.175 239.568 1.00 0.00 C +ATOM 70 CA GLY A 70 247.515 252.658 241.262 1.00 0.00 C +ATOM 71 CA SER A 71 247.047 253.932 244.822 1.00 0.00 C +ATOM 72 CA GLU A 72 246.740 254.502 248.577 1.00 0.00 C +ATOM 73 CA THR A 73 248.110 251.704 250.769 1.00 0.00 C +ATOM 74 CA ASP A 74 249.301 248.101 250.427 1.00 0.00 C +ATOM 75 CA VAL A 75 249.148 245.759 247.426 1.00 0.00 C +ATOM 76 CA ASN A 76 248.948 246.604 243.717 1.00 0.00 C +ATOM 77 CA GLU A 77 248.237 243.853 241.179 1.00 0.00 C +ATOM 78 CA VAL A 78 246.392 240.901 239.630 1.00 0.00 C +ATOM 79 CA LYS A 79 243.389 240.362 241.911 1.00 0.00 C +ATOM 80 CA LYS A 80 240.420 239.092 239.890 1.00 0.00 C +ATOM 81 CA GLN A 81 238.435 238.162 236.774 1.00 0.00 C +ATOM 82 CA ILE A 82 235.556 240.180 235.305 1.00 0.00 C +ATOM 83 CA ASN A 83 234.452 240.450 231.668 1.00 0.00 C +ATOM 84 CA LYS A 84 232.145 237.710 230.369 1.00 0.00 C +ATOM 85 CA ALA A 85 230.984 235.538 233.276 1.00 0.00 C +ATOM 86 CA GLU A 86 230.101 233.317 236.243 1.00 0.00 C +ATOM 87 CA ALA A 87 229.370 231.811 239.665 1.00 0.00 C +ATOM 88 CA ASN A 88 228.625 228.105 240.141 1.00 0.00 C +ATOM 89 CA LYS A 89 229.473 224.680 241.578 1.00 0.00 C +ATOM 90 CA GLN A 90 230.521 222.193 244.268 1.00 0.00 C +ATOM 91 CA LYS A 91 230.026 218.416 244.341 1.00 0.00 C +ATOM 92 CA ALA A 92 230.999 215.250 242.458 1.00 0.00 C +ATOM 93 CA SER A 93 231.044 214.871 238.667 1.00 0.00 C +ATOM 94 CA GLY A 94 232.621 217.082 235.995 1.00 0.00 C +ATOM 95 CA ALA A 95 235.118 214.798 234.242 1.00 0.00 C +ATOM 96 CA ARG A 96 236.703 211.334 234.216 1.00 0.00 C +ATOM 97 CA ALA A 97 237.565 209.335 237.343 1.00 0.00 C +ATOM 98 CA ASN A 98 239.083 208.859 240.805 1.00 0.00 C +ATOM 99 CA GLN A 99 238.583 206.071 243.353 1.00 0.00 C +ATOM 100 CA TYR A 100 238.980 206.526 247.115 1.00 0.00 C +ATOM 101 CA LYS A 101 235.824 207.967 248.690 1.00 0.00 C +ATOM 102 CA GLY A 102 232.428 206.601 249.747 1.00 0.00 C +ATOM 103 CA SER A 103 232.312 203.645 252.148 1.00 0.00 C +ATOM 104 CA ASN A 104 229.092 203.631 254.185 1.00 0.00 C +TER 105 ASN A 104 +END diff --git a/Bacteria/O68802/O68802.dcd b/Bacteria/O68802/O68802.dcd new file mode 100644 index 0000000000000000000000000000000000000000..954b83523db1f7ef767ec3e4dfa5976080591911 --- /dev/null +++ b/Bacteria/O68802/O68802.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5396e250a7be47f0c2c61655e1d59ced3d1bed6c6867b90b87df8687b45ecf99 +size 5360276 diff --git a/Bacteria/O68802/top.pdb b/Bacteria/O68802/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..cb5976e1eb219e7129cd2af429a1deff98a0a4e9 --- /dev/null +++ b/Bacteria/O68802/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 1 283.723 261.524 258.519 1.00 0.00 C +ATOM 2 CA ASN A 2 282.495 258.918 261.013 1.00 0.00 C +ATOM 3 CA PHE A 3 278.777 258.086 261.046 1.00 0.00 C +ATOM 4 CA PHE A 4 275.822 258.660 258.710 1.00 0.00 C +ATOM 5 CA SER A 5 275.416 259.905 255.133 1.00 0.00 C +ATOM 6 CA SER A 6 272.853 260.064 252.318 1.00 0.00 C +ATOM 7 CA PRO A 7 269.205 260.529 251.321 1.00 0.00 C +ATOM 8 CA GLY A 8 267.834 256.978 251.170 1.00 0.00 C +ATOM 9 CA PHE A 9 264.097 256.598 251.806 1.00 0.00 C +ATOM 10 CA PRO A 10 261.497 257.334 249.119 1.00 0.00 C +ATOM 11 CA GLY A 11 259.772 254.612 247.087 1.00 0.00 C +ATOM 12 CA ARG A 12 258.606 251.358 248.690 1.00 0.00 C +ATOM 13 CA LYS A 13 255.178 251.259 250.351 1.00 0.00 C +ATOM 14 CA SER A 14 254.475 252.450 253.901 1.00 0.00 C +ATOM 15 CA LYS A 15 251.557 251.052 255.911 1.00 0.00 C +ATOM 16 CA ASP A 16 250.687 248.090 258.145 1.00 0.00 C +ATOM 17 CA PRO A 17 252.716 245.070 257.013 1.00 0.00 C +ATOM 18 CA VAL A 18 252.111 242.798 254.016 1.00 0.00 C +ATOM 19 CA ALA A 19 249.815 242.522 250.988 1.00 0.00 C +ATOM 20 CA ARG A 20 246.274 241.122 251.108 1.00 0.00 C +ATOM 21 CA SER A 21 244.102 243.669 252.928 1.00 0.00 C +ATOM 22 CA SER A 22 245.128 247.129 251.707 1.00 0.00 C +ATOM 23 CA ARG A 23 247.141 249.410 249.414 1.00 0.00 C +ATOM 24 CA ARG A 24 246.405 248.349 245.829 1.00 0.00 C +ATOM 25 CA GLY A 25 243.156 246.489 245.121 1.00 0.00 C +ATOM 26 CA LEU A 26 240.138 244.176 244.891 1.00 0.00 C +ATOM 27 CA GLN A 27 238.236 245.300 241.787 1.00 0.00 C +ATOM 28 CA GLU A 28 234.740 243.857 241.327 1.00 0.00 C +ATOM 29 CA ASN A 29 233.293 240.450 242.229 1.00 0.00 C +ATOM 30 CA LEU A 30 233.008 238.073 245.193 1.00 0.00 C +ATOM 31 CA LEU A 31 231.973 238.184 248.858 1.00 0.00 C +ATOM 32 CA ARG A 32 229.796 241.193 249.712 1.00 0.00 C +ATOM 33 CA ASP A 33 230.100 244.601 248.037 1.00 0.00 C +ATOM 34 CA GLY A 34 227.939 247.419 246.657 1.00 0.00 C +ATOM 35 CA ILE A 35 230.081 250.094 244.992 1.00 0.00 C +ATOM 36 CA ARG A 36 230.557 252.718 242.270 1.00 0.00 C +ATOM 37 CA VAL A 37 227.485 254.747 241.288 1.00 0.00 C +ATOM 38 CA PRO A 38 223.811 255.214 240.394 1.00 0.00 C +TER 39 PRO A 38 +END diff --git a/Bacteria/O68886/O68886.dcd b/Bacteria/O68886/O68886.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e517d540a8d0e9abc5b75448ff226ffa159f4346 --- /dev/null +++ b/Bacteria/O68886/O68886.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a064bc79c0b04eac30f8c4ca630f7952a0d5af98acc86b5041bb44a2495dc43b +size 5240276 diff --git a/Bacteria/O68886/top.pdb b/Bacteria/O68886/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..58d7df4d10c296672cadc285dfb498929670974a --- /dev/null +++ b/Bacteria/O68886/top.pdb @@ -0,0 +1,41 @@ +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 1 239.994 269.638 243.987 1.00 0.00 C +ATOM 2 CA ASP A 2 239.977 269.391 247.789 1.00 0.00 C +ATOM 3 CA GLN A 3 236.853 268.948 249.925 1.00 0.00 C +ATOM 4 CA VAL A 4 234.310 266.199 250.623 1.00 0.00 C +ATOM 5 CA TRP A 5 233.300 263.962 247.708 1.00 0.00 C +ATOM 6 CA GLN A 6 234.599 263.556 244.150 1.00 0.00 C +ATOM 7 CA GLU A 7 234.767 259.892 243.120 1.00 0.00 C +ATOM 8 CA PRO A 8 237.150 256.920 243.043 1.00 0.00 C +ATOM 9 CA VAL A 9 240.355 257.881 244.865 1.00 0.00 C +ATOM 10 CA GLN A 10 244.065 257.437 244.122 1.00 0.00 C +ATOM 11 CA PRO A 11 247.750 258.175 243.497 1.00 0.00 C +ATOM 12 CA PRO A 12 249.772 261.402 243.363 1.00 0.00 C +ATOM 13 CA ARG A 13 250.858 264.759 244.800 1.00 0.00 C +ATOM 14 CA ALA A 14 254.478 265.944 244.732 1.00 0.00 C +ATOM 15 CA LEU A 15 257.675 264.169 245.804 1.00 0.00 C +ATOM 16 CA ASP A 16 256.898 261.854 248.728 1.00 0.00 C +ATOM 17 CA GLY A 17 256.041 258.145 248.887 1.00 0.00 C +ATOM 18 CA LEU A 18 257.711 254.773 248.289 1.00 0.00 C +ATOM 19 CA VAL A 19 259.117 252.027 250.524 1.00 0.00 C +ATOM 20 CA PRO A 20 259.897 253.166 254.075 1.00 0.00 C +ATOM 21 CA ASP A 21 262.606 250.829 255.385 1.00 0.00 C +ATOM 22 CA GLY A 22 263.305 247.086 255.252 1.00 0.00 C +ATOM 23 CA LEU A 23 263.821 243.422 256.158 1.00 0.00 C +ATOM 24 CA VAL A 24 263.844 240.400 258.479 1.00 0.00 C +ATOM 25 CA GLU A 25 261.231 238.065 256.983 1.00 0.00 C +ATOM 26 CA PRO A 26 261.462 235.238 254.440 1.00 0.00 C +ATOM 27 CA LEU A 27 258.279 235.147 252.348 1.00 0.00 C +ATOM 28 CA PRO A 28 254.761 235.971 253.556 1.00 0.00 C +ATOM 29 CA GLY A 29 252.826 238.581 251.566 1.00 0.00 C +ATOM 30 CA GLY A 30 249.443 240.105 252.431 1.00 0.00 C +ATOM 31 CA THR A 31 245.755 239.328 252.984 1.00 0.00 C +ATOM 32 CA TYR A 32 244.940 236.544 255.454 1.00 0.00 C +ATOM 33 CA ARG A 33 244.127 232.994 254.334 1.00 0.00 C +ATOM 34 CA LEU A 34 245.697 229.639 253.441 1.00 0.00 C +ATOM 35 CA PRO A 35 249.431 228.886 253.457 1.00 0.00 C +ATOM 36 CA LEU A 36 251.343 225.738 252.484 1.00 0.00 C +ATOM 37 CA THR A 37 251.561 223.792 249.215 1.00 0.00 C +TER 38 THR A 37 +END diff --git a/Bacteria/O69966/O69966.dcd b/Bacteria/O69966/O69966.dcd new file mode 100644 index 0000000000000000000000000000000000000000..329e18390ff17fbec944596845787736013615a2 --- /dev/null +++ b/Bacteria/O69966/O69966.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e130633f6e7eca9907727991e0762b82ed2aab1d9dce3c5341218e9635ef9f66 +size 12200276 diff --git a/Bacteria/O69966/top.pdb b/Bacteria/O69966/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ec9fcb0646deb6f98938a04d21bb51e14d6a2ec9 --- /dev/null +++ b/Bacteria/O69966/top.pdb @@ -0,0 +1,99 @@ +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 1 192.169 261.692 243.345 1.00 0.00 C +ATOM 2 CA GLY A 2 194.476 259.150 241.692 1.00 0.00 C +ATOM 3 CA VAL A 3 198.119 260.168 242.151 1.00 0.00 C +ATOM 4 CA PHE A 4 197.985 263.120 244.556 1.00 0.00 C +ATOM 5 CA THR A 5 198.080 264.412 248.139 1.00 0.00 C +ATOM 6 CA ARG A 6 196.803 263.086 251.474 1.00 0.00 C +ATOM 7 CA LEU A 7 193.100 263.110 252.370 1.00 0.00 C +ATOM 8 CA PHE A 8 190.706 263.893 255.229 1.00 0.00 C +ATOM 9 CA ARG A 9 188.873 260.802 256.493 1.00 0.00 C +ATOM 10 CA ARG A 10 188.805 257.082 257.315 1.00 0.00 C +ATOM 11 CA SER A 11 191.957 255.129 256.436 1.00 0.00 C +ATOM 12 CA LYS A 12 194.318 252.260 257.276 1.00 0.00 C +ATOM 13 CA LYS A 13 197.133 249.812 258.051 1.00 0.00 C +ATOM 14 CA THR A 14 200.564 250.475 259.569 1.00 0.00 C +ATOM 15 CA GLU A 15 203.107 253.234 260.232 1.00 0.00 C +ATOM 16 CA ALA A 16 206.269 253.502 258.124 1.00 0.00 C +ATOM 17 CA ALA A 17 208.257 253.740 254.882 1.00 0.00 C +ATOM 18 CA SER A 18 210.113 256.412 252.900 1.00 0.00 C +ATOM 19 CA GLY A 19 213.364 255.716 251.039 1.00 0.00 C +ATOM 20 CA ALA A 20 215.913 257.783 249.103 1.00 0.00 C +ATOM 21 CA GLU A 21 219.399 256.311 249.545 1.00 0.00 C +ATOM 22 CA THR A 22 222.837 254.692 249.813 1.00 0.00 C +ATOM 23 CA ARG A 23 226.491 254.988 248.773 1.00 0.00 C +ATOM 24 CA THR A 24 230.162 254.790 247.775 1.00 0.00 C +ATOM 25 CA ASP A 25 232.365 256.357 245.090 1.00 0.00 C +ATOM 26 CA VAL A 26 234.995 258.630 246.650 1.00 0.00 C +ATOM 27 CA PRO A 27 237.658 261.236 247.443 1.00 0.00 C +ATOM 28 CA ASP A 28 238.314 264.872 246.512 1.00 0.00 C +ATOM 29 CA THR A 29 241.230 267.319 246.668 1.00 0.00 C +ATOM 30 CA GLY A 30 243.049 270.652 246.349 1.00 0.00 C +ATOM 31 CA SER A 31 243.810 273.160 249.115 1.00 0.00 C +ATOM 32 CA ALA A 32 247.018 273.311 251.164 1.00 0.00 C +ATOM 33 CA ALA A 33 250.148 275.467 251.433 1.00 0.00 C +ATOM 34 CA GLU A 34 252.957 276.804 249.233 1.00 0.00 C +ATOM 35 CA ALA A 35 253.955 280.200 250.644 1.00 0.00 C +ATOM 36 CA LYS A 36 253.212 283.698 251.957 1.00 0.00 C +ATOM 37 CA ALA A 37 250.222 285.695 253.218 1.00 0.00 C +ATOM 38 CA ALA A 38 249.657 285.303 256.966 1.00 0.00 C +ATOM 39 CA GLU A 39 251.269 285.654 260.400 1.00 0.00 C +ATOM 40 CA ALA A 40 254.873 284.950 261.415 1.00 0.00 C +ATOM 41 CA ALA A 41 257.181 281.918 261.416 1.00 0.00 C +ATOM 42 CA GLY A 42 257.686 279.654 258.393 1.00 0.00 C +ATOM 43 CA ALA A 43 257.989 276.160 259.881 1.00 0.00 C +ATOM 44 CA ALA A 44 255.724 273.460 261.329 1.00 0.00 C +ATOM 45 CA GLU A 45 254.265 272.530 264.724 1.00 0.00 C +ATOM 46 CA PRO A 46 255.509 273.385 268.222 1.00 0.00 C +ATOM 47 CA ALA A 47 258.618 275.350 269.216 1.00 0.00 C +ATOM 48 CA ASP A 48 261.863 277.113 270.152 1.00 0.00 C +ATOM 49 CA ALA A 49 265.457 278.228 269.555 1.00 0.00 C +ATOM 50 CA GLY A 50 267.681 276.665 272.225 1.00 0.00 C +ATOM 51 CA PRO A 51 268.686 273.146 271.167 1.00 0.00 C +ATOM 52 CA ARG A 52 270.760 270.972 268.825 1.00 0.00 C +ATOM 53 CA ASN A 53 271.027 267.488 270.343 1.00 0.00 C +ATOM 54 CA THR A 54 270.687 263.781 269.531 1.00 0.00 C +ATOM 55 CA ALA A 55 271.298 261.621 266.452 1.00 0.00 C +ATOM 56 CA GLU A 56 269.824 260.619 263.085 1.00 0.00 C +ATOM 57 CA ALA A 57 266.951 258.728 261.446 1.00 0.00 C +ATOM 58 CA GLY A 58 263.152 258.471 261.315 1.00 0.00 C +ATOM 59 CA GLU A 59 262.022 255.004 260.212 1.00 0.00 C +ATOM 60 CA ALA A 60 263.109 251.364 260.512 1.00 0.00 C +ATOM 61 CA ASP A 61 263.314 247.907 258.923 1.00 0.00 C +ATOM 62 CA GLY A 62 262.585 245.627 255.959 1.00 0.00 C +ATOM 63 CA THR A 63 262.743 242.602 253.649 1.00 0.00 C +ATOM 64 CA SER A 64 260.519 239.963 252.035 1.00 0.00 C +ATOM 65 CA ALA A 65 261.966 236.464 252.468 1.00 0.00 C +ATOM 66 CA GLU A 66 265.695 236.666 253.221 1.00 0.00 C +ATOM 67 CA ALA A 67 269.194 235.646 254.330 1.00 0.00 C +ATOM 68 CA GLY A 68 272.077 236.210 251.904 1.00 0.00 C +ATOM 69 CA ASP A 69 275.224 234.543 253.260 1.00 0.00 C +ATOM 70 CA PRO A 70 278.231 232.711 254.714 1.00 0.00 C +ATOM 71 CA GLU A 71 281.186 232.984 257.104 1.00 0.00 C +ATOM 72 CA SER A 72 284.041 230.996 255.550 1.00 0.00 C +ATOM 73 CA VAL A 73 282.379 228.420 253.287 1.00 0.00 C +ATOM 74 CA GLY A 74 281.768 227.900 249.563 1.00 0.00 C +ATOM 75 CA ILE A 75 283.705 225.520 247.304 1.00 0.00 C +ATOM 76 CA PRO A 76 286.133 222.964 245.859 1.00 0.00 C +ATOM 77 CA LYS A 77 286.681 219.460 244.469 1.00 0.00 C +ATOM 78 CA GLN A 78 289.993 217.769 243.638 1.00 0.00 C +ATOM 79 CA GLN A 79 290.141 216.007 240.263 1.00 0.00 C +ATOM 80 CA SER A 80 288.201 213.782 237.855 1.00 0.00 C +ATOM 81 CA ALA A 81 286.150 211.028 236.203 1.00 0.00 C +ATOM 82 CA GLY A 82 282.728 210.154 237.632 1.00 0.00 C +ATOM 83 CA GLU A 83 281.753 206.747 236.231 1.00 0.00 C +ATOM 84 CA ALA A 84 280.953 205.593 232.690 1.00 0.00 C +ATOM 85 CA VAL A 85 278.818 206.588 229.695 1.00 0.00 C +ATOM 86 CA ASP A 86 279.217 208.223 226.276 1.00 0.00 C +ATOM 87 CA ASN A 87 277.387 207.491 223.016 1.00 0.00 C +ATOM 88 CA GLU A 88 275.162 210.449 222.112 1.00 0.00 C +ATOM 89 CA ALA A 89 275.678 213.453 219.825 1.00 0.00 C +ATOM 90 CA ASP A 90 275.671 217.139 218.863 1.00 0.00 C +ATOM 91 CA LYS A 91 273.368 219.254 216.685 1.00 0.00 C +ATOM 92 CA GLY A 92 269.796 220.473 216.162 1.00 0.00 C +ATOM 93 CA ALA A 93 267.132 217.795 215.663 1.00 0.00 C +ATOM 94 CA ARG A 94 268.647 214.301 215.764 1.00 0.00 C +ATOM 95 CA THR A 95 268.543 212.846 219.284 1.00 0.00 C +TER 96 THR A 95 +END diff --git a/Bacteria/O82907/O82907.dcd b/Bacteria/O82907/O82907.dcd new file mode 100644 index 0000000000000000000000000000000000000000..ce9fee2cb9a85b0bdd63ca5c50688331cded5f73 --- /dev/null +++ b/Bacteria/O82907/O82907.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:94b2db6ec5d1d211c5dc26248c5ab346e76e254ed25df7142f9d482e2b21a090 +size 18920276 diff --git a/Bacteria/O82907/top.pdb b/Bacteria/O82907/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..be9eff417ac9cade096ad06a5207df04cfa5b4b3 --- /dev/null +++ b/Bacteria/O82907/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 1 279.732 340.582 308.463 1.00 0.00 C +ATOM 2 CA ALA A 2 283.345 339.514 309.032 1.00 0.00 C +ATOM 3 CA PRO A 3 284.963 336.294 310.269 1.00 0.00 C +ATOM 4 CA ASP A 4 288.535 335.957 308.988 1.00 0.00 C +ATOM 5 CA THR A 5 289.307 332.259 308.490 1.00 0.00 C +ATOM 6 CA THR A 6 289.633 328.618 307.417 1.00 0.00 C +ATOM 7 CA THR A 7 290.116 326.001 304.690 1.00 0.00 C +ATOM 8 CA GLY A 8 287.577 323.363 303.636 1.00 0.00 C +ATOM 9 CA ARG A 9 285.636 322.103 306.662 1.00 0.00 C +ATOM 10 CA HIS A 10 283.894 324.661 308.884 1.00 0.00 C +ATOM 11 CA PRO A 11 284.273 326.030 312.420 1.00 0.00 C +ATOM 12 CA PRO A 12 287.421 326.812 314.418 1.00 0.00 C +ATOM 13 CA GLN A 13 290.790 328.363 313.546 1.00 0.00 C +ATOM 14 CA ARG A 14 294.141 329.998 312.765 1.00 0.00 C +ATOM 15 CA ARG A 15 296.889 329.785 310.135 1.00 0.00 C +ATOM 16 CA GLU A 16 300.494 328.724 309.505 1.00 0.00 C +ATOM 17 CA ALA A 17 302.622 325.980 307.939 1.00 0.00 C +ATOM 18 CA ARG A 18 304.960 323.602 306.096 1.00 0.00 C +ATOM 19 CA PHE A 19 303.607 320.150 305.220 1.00 0.00 C +ATOM 20 CA ALA A 20 300.582 318.932 303.250 1.00 0.00 C +ATOM 21 CA LYS A 21 298.776 317.045 300.476 1.00 0.00 C +ATOM 22 CA ARG A 22 300.017 317.278 296.881 1.00 0.00 C +ATOM 23 CA ARG A 23 300.083 313.980 294.975 1.00 0.00 C +ATOM 24 CA CYS A 24 297.686 311.122 294.200 1.00 0.00 C +ATOM 25 CA PRO A 25 295.561 308.016 293.605 1.00 0.00 C +ATOM 26 CA LEU A 26 292.138 308.844 292.152 1.00 0.00 C +ATOM 27 CA HIS A 27 290.178 307.711 289.087 1.00 0.00 C +ATOM 28 CA PRO A 28 289.635 310.767 286.877 1.00 0.00 C +ATOM 29 CA GLY A 29 286.168 311.341 285.404 1.00 0.00 C +ATOM 30 CA GLY A 30 284.754 313.183 282.384 1.00 0.00 C +ATOM 31 CA LEU A 31 281.286 314.652 282.955 1.00 0.00 C +ATOM 32 CA LEU A 32 281.269 318.369 282.117 1.00 0.00 C +ATOM 33 CA PRO A 33 281.554 318.578 278.323 1.00 0.00 C +ATOM 34 CA GLY A 34 282.762 318.141 274.736 1.00 0.00 C +ATOM 35 CA CYS A 35 285.777 315.817 274.910 1.00 0.00 C +ATOM 36 CA ARG A 36 287.192 313.064 272.689 1.00 0.00 C +ATOM 37 CA GLU A 37 289.610 310.435 274.017 1.00 0.00 C +ATOM 38 CA ARG A 38 292.557 309.119 276.041 1.00 0.00 C +ATOM 39 CA ARG A 39 295.094 306.530 274.867 1.00 0.00 C +ATOM 40 CA PRO A 40 293.415 303.139 274.421 1.00 0.00 C +ATOM 41 CA ARG A 41 291.220 300.086 273.808 1.00 0.00 C +ATOM 42 CA ARG A 42 290.454 296.355 273.887 1.00 0.00 C +ATOM 43 CA ASP A 43 290.259 293.651 271.209 1.00 0.00 C +ATOM 44 CA ARG A 44 288.432 295.141 268.217 1.00 0.00 C +ATOM 45 CA GLY A 45 287.320 295.522 264.592 1.00 0.00 C +ATOM 46 CA GLY A 46 285.452 295.597 261.273 1.00 0.00 C +ATOM 47 CA ALA A 47 284.528 298.981 259.786 1.00 0.00 C +ATOM 48 CA THR A 48 285.876 300.037 256.383 1.00 0.00 C +ATOM 49 CA GLY A 49 286.855 300.215 252.705 1.00 0.00 C +ATOM 50 CA THR A 50 286.374 297.133 250.518 1.00 0.00 C +ATOM 51 CA VAL A 51 287.237 293.595 249.399 1.00 0.00 C +ATOM 52 CA ALA A 52 290.441 292.688 247.548 1.00 0.00 C +ATOM 53 CA ALA A 53 292.290 291.628 244.390 1.00 0.00 C +ATOM 54 CA SER A 54 293.467 290.679 240.893 1.00 0.00 C +ATOM 55 CA PRO A 55 292.986 288.121 238.110 1.00 0.00 C +ATOM 56 CA GLY A 56 289.955 287.902 235.812 1.00 0.00 C +ATOM 57 CA PHE A 57 287.006 286.507 233.844 1.00 0.00 C +ATOM 58 CA ALA A 58 283.819 288.523 234.386 1.00 0.00 C +ATOM 59 CA SER A 59 280.510 286.642 234.235 1.00 0.00 C +ATOM 60 CA GLY A 60 277.522 284.519 233.194 1.00 0.00 C +ATOM 61 CA MET A 61 276.085 281.791 235.432 1.00 0.00 C +ATOM 62 CA GLU A 62 276.645 278.074 234.811 1.00 0.00 C +ATOM 63 CA ALA A 63 275.336 274.502 235.021 1.00 0.00 C +ATOM 64 CA ARG A 64 272.331 272.255 234.360 1.00 0.00 C +ATOM 65 CA GLN A 65 269.068 271.467 232.557 1.00 0.00 C +ATOM 66 CA GLY A 66 265.710 270.604 234.134 1.00 0.00 C +ATOM 67 CA GLY A 67 263.450 267.537 234.172 1.00 0.00 C +ATOM 68 CA ASP A 68 260.763 264.899 234.756 1.00 0.00 C +ATOM 69 CA SER A 69 260.374 261.578 232.931 1.00 0.00 C +ATOM 70 CA SER A 70 259.207 257.987 232.417 1.00 0.00 C +ATOM 71 CA ALA A 71 261.938 255.485 233.311 1.00 0.00 C +ATOM 72 CA GLY A 72 265.273 254.091 232.105 1.00 0.00 C +ATOM 73 CA SER A 73 266.041 252.599 228.685 1.00 0.00 C +ATOM 74 CA VAL A 74 266.062 249.265 226.840 1.00 0.00 C +ATOM 75 CA HIS A 75 266.318 247.536 223.455 1.00 0.00 C +ATOM 76 CA ASP A 76 266.293 243.752 223.015 1.00 0.00 C +ATOM 77 CA SER A 77 265.789 240.215 224.339 1.00 0.00 C +ATOM 78 CA PRO A 78 267.117 236.660 224.001 1.00 0.00 C +ATOM 79 CA PRO A 79 269.627 235.725 221.290 1.00 0.00 C +ATOM 80 CA ARG A 80 268.625 232.665 219.253 1.00 0.00 C +ATOM 81 CA GLN A 81 265.322 231.333 220.608 1.00 0.00 C +ATOM 82 CA GLY A 82 262.913 228.403 220.252 1.00 0.00 C +ATOM 83 CA ASP A 83 259.959 227.999 222.623 1.00 0.00 C +ATOM 84 CA ALA A 84 256.675 227.613 220.730 1.00 0.00 C +ATOM 85 CA ARG A 85 254.731 224.339 220.834 1.00 0.00 C +ATOM 86 CA LYS A 86 252.709 221.419 219.454 1.00 0.00 C +ATOM 87 CA ARG A 87 250.647 219.053 217.295 1.00 0.00 C +ATOM 88 CA HIS A 88 250.190 215.599 218.837 1.00 0.00 C +ATOM 89 CA LYS A 89 250.514 212.111 220.336 1.00 0.00 C +ATOM 90 CA GLN A 90 247.115 210.906 221.565 1.00 0.00 C +ATOM 91 CA GLU A 91 244.401 208.518 222.767 1.00 0.00 C +ATOM 92 CA ASN A 92 246.060 205.921 225.008 1.00 0.00 C +ATOM 93 CA ASN A 93 246.675 204.854 228.614 1.00 0.00 C +ATOM 94 CA LYS A 94 246.641 206.360 232.113 1.00 0.00 C +ATOM 95 CA THR A 95 244.778 206.136 235.429 1.00 0.00 C +ATOM 96 CA ASP A 96 241.255 204.988 234.541 1.00 0.00 C +ATOM 97 CA SER A 97 240.533 206.714 231.222 1.00 0.00 C +ATOM 98 CA ASN A 98 237.521 205.475 229.244 1.00 0.00 C +ATOM 99 CA GLN A 99 234.222 203.753 228.430 1.00 0.00 C +ATOM 100 CA SER A 100 231.220 201.508 227.747 1.00 0.00 C +ATOM 101 CA SER A 101 228.243 202.504 225.587 1.00 0.00 C +ATOM 102 CA ARG A 102 226.685 205.471 227.400 1.00 0.00 C +ATOM 103 CA LYS A 103 224.431 205.405 230.471 1.00 0.00 C +ATOM 104 CA LYS A 104 221.478 203.051 230.977 1.00 0.00 C +ATOM 105 CA LYS A 105 219.192 201.274 233.452 1.00 0.00 C +ATOM 106 CA ASN A 106 218.948 203.233 236.711 1.00 0.00 C +ATOM 107 CA SER A 107 216.223 204.336 239.135 1.00 0.00 C +ATOM 108 CA SER A 108 213.628 202.613 241.329 1.00 0.00 C +ATOM 109 CA SER A 109 211.336 200.143 243.107 1.00 0.00 C +ATOM 110 CA SER A 110 210.057 197.099 241.205 1.00 0.00 C +ATOM 111 CA SER A 111 209.345 193.779 239.479 1.00 0.00 C +ATOM 112 CA SER A 112 208.688 190.906 237.063 1.00 0.00 C +ATOM 113 CA SER A 113 207.653 187.269 237.525 1.00 0.00 C +ATOM 114 CA SER A 114 207.099 184.315 239.866 1.00 0.00 C +ATOM 115 CA SER A 115 203.392 184.002 240.689 1.00 0.00 C +ATOM 116 CA SER A 116 201.258 186.228 242.925 1.00 0.00 C +ATOM 117 CA SER A 117 197.450 186.090 242.877 1.00 0.00 C +ATOM 118 CA SER A 118 193.766 186.402 243.796 1.00 0.00 C +ATOM 119 CA SER A 119 192.784 189.493 245.797 1.00 0.00 C +ATOM 120 CA SER A 120 189.988 191.780 244.587 1.00 0.00 C +ATOM 121 CA MET A 121 186.738 192.189 242.641 1.00 0.00 C +ATOM 122 CA ASN A 122 187.479 194.181 239.479 1.00 0.00 C +ATOM 123 CA ASN A 123 184.746 195.852 237.416 1.00 0.00 C +ATOM 124 CA ASN A 124 183.110 198.718 235.512 1.00 0.00 C +ATOM 125 CA ILE A 125 184.394 199.501 232.011 1.00 0.00 C +ATOM 126 CA ILE A 126 186.050 198.102 228.878 1.00 0.00 C +ATOM 127 CA SER A 127 189.139 197.445 226.747 1.00 0.00 C +ATOM 128 CA ASN A 128 192.234 195.711 228.136 1.00 0.00 C +ATOM 129 CA ARG A 129 195.107 194.181 230.116 1.00 0.00 C +ATOM 130 CA GLN A 130 197.854 191.568 229.736 1.00 0.00 C +ATOM 131 CA MET A 131 201.473 191.694 230.920 1.00 0.00 C +ATOM 132 CA THR A 132 202.553 188.791 233.139 1.00 0.00 C +ATOM 133 CA GLY A 133 200.021 186.789 235.163 1.00 0.00 C +ATOM 134 CA LEU A 134 198.492 183.573 236.519 1.00 0.00 C +ATOM 135 CA LYS A 135 197.221 179.996 236.838 1.00 0.00 C +ATOM 136 CA ARG A 136 194.314 177.843 235.641 1.00 0.00 C +ATOM 137 CA GLN A 137 191.542 178.673 233.162 1.00 0.00 C +ATOM 138 CA LYS A 138 189.882 176.599 230.431 1.00 0.00 C +ATOM 139 CA PRO A 139 190.490 173.547 228.233 1.00 0.00 C +ATOM 140 CA THR A 140 187.024 172.124 227.545 1.00 0.00 C +ATOM 141 CA ALA A 141 186.447 171.478 223.834 1.00 0.00 C +ATOM 142 CA GLU A 142 187.088 173.592 220.730 1.00 0.00 C +ATOM 143 CA CYS A 143 188.149 173.882 217.082 1.00 0.00 C +ATOM 144 CA PRO A 144 189.571 174.210 213.563 1.00 0.00 C +ATOM 145 CA ARG A 145 189.139 177.880 212.634 1.00 0.00 C +ATOM 146 CA ASN A 146 185.637 179.294 213.136 1.00 0.00 C +ATOM 147 CA VAL A 147 181.966 180.295 212.947 1.00 0.00 C +ATOM 148 CA ARG A 148 179.099 182.349 211.505 1.00 0.00 C +ATOM 149 CA GLY A 149 176.647 185.036 210.373 1.00 0.00 C +ATOM 150 CA GLY A 150 177.471 188.662 211.202 1.00 0.00 C +ATOM 151 CA ALA A 151 175.115 190.786 209.091 1.00 0.00 C +TER 152 ALA A 151 +END diff --git a/Bacteria/O82954/O82954.dcd b/Bacteria/O82954/O82954.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8a51a14778be31e7517a933d3d02f05c11c52b97 --- /dev/null +++ b/Bacteria/O82954/O82954.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a120052f724e4a22aab6db7bb976067657ebdbe2ff97d927a34a773f7dadebec +size 6680276 diff --git a/Bacteria/O82954/top.pdb b/Bacteria/O82954/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1823c3799f39fe437b22d91ebcca67e3b4a3e6af --- /dev/null +++ b/Bacteria/O82954/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 MET A 1 228.121 252.025 246.386 1.00 0.00 C +ATOM 2 CA ILE A 2 229.316 255.168 248.177 1.00 0.00 C +ATOM 3 CA THR A 3 230.285 257.750 250.806 1.00 0.00 C +ATOM 4 CA ALA A 4 228.453 260.902 251.913 1.00 0.00 C +ATOM 5 CA GLY A 5 229.454 264.573 252.104 1.00 0.00 C +ATOM 6 CA ARG A 6 231.871 265.668 254.838 1.00 0.00 C +ATOM 7 CA THR A 7 233.996 267.153 257.630 1.00 0.00 C +ATOM 8 CA GLY A 8 236.768 266.702 260.204 1.00 0.00 C +ATOM 9 CA SER A 9 240.315 265.421 260.747 1.00 0.00 C +ATOM 10 CA ARG A 10 243.573 265.031 262.683 1.00 0.00 C +ATOM 11 CA ASN A 11 245.506 262.379 260.745 1.00 0.00 C +ATOM 12 CA PRO A 12 248.247 262.382 258.100 1.00 0.00 C +ATOM 13 CA ALA A 13 247.521 259.653 255.542 1.00 0.00 C +ATOM 14 CA GLN A 14 244.097 258.598 254.247 1.00 0.00 C +ATOM 15 CA SER A 15 242.646 258.602 250.724 1.00 0.00 C +ATOM 16 CA GLN A 16 241.623 262.212 250.065 1.00 0.00 C +ATOM 17 CA LYS A 17 240.228 265.610 249.053 1.00 0.00 C +ATOM 18 CA SER A 18 240.132 267.575 252.316 1.00 0.00 C +ATOM 19 CA ILE A 19 242.613 270.199 253.532 1.00 0.00 C +ATOM 20 CA ALA A 20 246.353 269.665 254.028 1.00 0.00 C +ATOM 21 CA SER A 21 249.986 270.300 253.071 1.00 0.00 C +ATOM 22 CA ILE A 22 250.515 268.955 249.546 1.00 0.00 C +ATOM 23 CA THR A 23 252.662 266.745 247.305 1.00 0.00 C +ATOM 24 CA ALA A 24 254.134 263.431 248.475 1.00 0.00 C +ATOM 25 CA PRO A 25 255.577 260.235 249.965 1.00 0.00 C +ATOM 26 CA PHE A 26 258.860 258.303 250.030 1.00 0.00 C +ATOM 27 CA SER A 27 261.638 259.692 247.824 1.00 0.00 C +ATOM 28 CA SER A 28 264.693 258.850 245.709 1.00 0.00 C +ATOM 29 CA PRO A 29 263.766 256.792 242.640 1.00 0.00 C +ATOM 30 CA PRO A 30 264.580 253.752 240.492 1.00 0.00 C +ATOM 31 CA ALA A 31 267.041 250.844 240.480 1.00 0.00 C +ATOM 32 CA PRO A 32 267.724 247.288 239.293 1.00 0.00 C +ATOM 33 CA ARG A 33 265.704 244.578 237.536 1.00 0.00 C +ATOM 34 CA PRO A 34 262.374 243.038 236.509 1.00 0.00 C +ATOM 35 CA PRO A 35 259.768 240.259 236.446 1.00 0.00 C +ATOM 36 CA PRO A 36 256.848 238.845 238.444 1.00 0.00 C +ATOM 37 CA SER A 37 256.632 237.061 241.804 1.00 0.00 C +ATOM 38 CA ARG A 38 255.691 235.085 244.923 1.00 0.00 C +ATOM 39 CA GLN A 39 256.338 232.336 247.480 1.00 0.00 C +ATOM 40 CA ARG A 40 253.594 230.628 249.497 1.00 0.00 C +ATOM 41 CA ARG A 41 254.813 229.625 252.965 1.00 0.00 C +ATOM 42 CA PRO A 42 253.065 227.495 255.596 1.00 0.00 C +ATOM 43 CA THR A 43 255.606 224.893 256.730 1.00 0.00 C +ATOM 44 CA PRO A 44 257.904 223.284 254.152 1.00 0.00 C +ATOM 45 CA SER A 45 258.365 219.507 254.332 1.00 0.00 C +ATOM 46 CA SER A 46 257.159 217.420 251.381 1.00 0.00 C +ATOM 47 CA CYS A 47 257.049 213.700 250.565 1.00 0.00 C +ATOM 48 CA HIS A 48 254.894 210.932 252.051 1.00 0.00 C +ATOM 49 CA PRO A 49 251.904 208.858 250.921 1.00 0.00 C +TER 50 PRO A 49 +END diff --git a/Bacteria/O83517/O83517.dcd b/Bacteria/O83517/O83517.dcd new file mode 100644 index 0000000000000000000000000000000000000000..88ddde855927269faefb59999364540ed166bab6 --- /dev/null +++ b/Bacteria/O83517/O83517.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:378ae955527fff1e1d45522cabc47daf88a49f83892380341e888adee1ef24fe +size 6320276 diff --git a/Bacteria/O83517/top.pdb b/Bacteria/O83517/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e0d6dacacc6e91b4a7eed7c82e3e4df39c70e731 --- /dev/null +++ b/Bacteria/O83517/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 1 269.420 214.474 262.238 1.00 0.00 C +ATOM 2 CA GLU A 2 265.836 214.613 260.953 1.00 0.00 C +ATOM 3 CA VAL A 3 264.747 217.969 259.514 1.00 0.00 C +ATOM 4 CA THR A 4 266.108 219.933 256.547 1.00 0.00 C +ATOM 5 CA PRO A 5 267.660 222.349 254.042 1.00 0.00 C +ATOM 6 CA LEU A 6 271.187 221.758 252.728 1.00 0.00 C +ATOM 7 CA GLU A 7 274.076 223.363 250.833 1.00 0.00 C +ATOM 8 CA THR A 8 272.768 226.811 249.875 1.00 0.00 C +ATOM 9 CA GLY A 9 271.513 230.402 249.650 1.00 0.00 C +ATOM 10 CA ARG A 10 271.377 231.858 246.132 1.00 0.00 C +ATOM 11 CA ALA A 11 268.218 230.883 244.240 1.00 0.00 C +ATOM 12 CA ARG A 12 265.121 228.775 244.939 1.00 0.00 C +ATOM 13 CA SER A 13 262.311 230.057 242.709 1.00 0.00 C +ATOM 14 CA HIS A 14 261.890 233.745 241.853 1.00 0.00 C +ATOM 15 CA GLN A 15 261.712 235.629 245.160 1.00 0.00 C +ATOM 16 CA LYS A 16 258.176 237.042 245.287 1.00 0.00 C +ATOM 17 CA ALA A 17 255.772 236.718 248.225 1.00 0.00 C +ATOM 18 CA SER A 18 254.993 236.009 251.887 1.00 0.00 C +ATOM 19 CA THR A 19 252.053 238.286 252.717 1.00 0.00 C +ATOM 20 CA ALA A 20 249.739 241.154 251.751 1.00 0.00 C +ATOM 21 CA ALA A 21 247.196 243.991 251.827 1.00 0.00 C +ATOM 22 CA GLN A 22 244.149 244.680 254.008 1.00 0.00 C +ATOM 23 CA PRO A 23 241.693 247.449 253.104 1.00 0.00 C +ATOM 24 CA HIS A 24 242.951 251.018 252.659 1.00 0.00 C +ATOM 25 CA ALA A 25 244.875 251.165 249.374 1.00 0.00 C +ATOM 26 CA ALA A 26 243.841 252.692 246.040 1.00 0.00 C +ATOM 27 CA ASP A 27 240.258 253.928 245.657 1.00 0.00 C +ATOM 28 CA GLU A 28 238.750 254.129 242.164 1.00 0.00 C +ATOM 29 CA LYS A 29 235.015 253.932 241.438 1.00 0.00 C +ATOM 30 CA MET A 30 233.578 257.138 239.964 1.00 0.00 C +ATOM 31 CA THR A 31 232.646 260.799 240.458 1.00 0.00 C +ATOM 32 CA GLY A 32 229.562 263.026 240.236 1.00 0.00 C +ATOM 33 CA SER A 33 229.861 266.407 241.967 1.00 0.00 C +ATOM 34 CA THR A 34 230.463 270.167 242.108 1.00 0.00 C +ATOM 35 CA ALA A 35 232.957 271.150 244.815 1.00 0.00 C +ATOM 36 CA ARG A 36 234.173 273.366 247.665 1.00 0.00 C +ATOM 37 CA ARG A 37 237.357 275.320 246.916 1.00 0.00 C +ATOM 38 CA TYR A 38 239.485 278.243 248.118 1.00 0.00 C +ATOM 39 CA LEU A 39 243.273 278.435 248.485 1.00 0.00 C +ATOM 40 CA SER A 40 244.987 277.991 251.858 1.00 0.00 C +ATOM 41 CA GLN A 41 245.831 280.399 254.688 1.00 0.00 C +ATOM 42 CA ASP A 42 245.619 281.446 258.345 1.00 0.00 C +ATOM 43 CA HIS A 43 242.851 283.989 258.971 1.00 0.00 C +ATOM 44 CA GLN A 44 241.207 283.934 262.407 1.00 0.00 C +ATOM 45 CA SER A 45 237.823 285.648 262.056 1.00 0.00 C +ATOM 46 CA VAL A 46 234.923 287.728 263.391 1.00 0.00 C +TER 47 VAL A 46 +END diff --git a/Bacteria/O83777/O83777.dcd b/Bacteria/O83777/O83777.dcd new file mode 100644 index 0000000000000000000000000000000000000000..aa019bf09f3e6326b7f1fd8389d4bff2dd4d7fd6 --- /dev/null +++ b/Bacteria/O83777/O83777.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9a7fc3fae4b2efdcbdb8f945f0aac036a48f56e8216916e4a7cf01a86611d063 +size 6800276 diff --git a/Bacteria/O83777/top.pdb b/Bacteria/O83777/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..96cea5b07cfbac15f2534ca81197208425eaa97d --- /dev/null +++ b/Bacteria/O83777/top.pdb @@ -0,0 +1,54 @@ +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 1 250.804 228.070 273.291 1.00 0.00 C +ATOM 2 CA LYS A 2 253.368 230.872 272.978 1.00 0.00 C +ATOM 3 CA THR A 3 257.046 229.982 273.418 1.00 0.00 C +ATOM 4 CA GLY A 4 258.496 228.154 270.406 1.00 0.00 C +ATOM 5 CA PHE A 5 256.033 226.050 268.400 1.00 0.00 C +ATOM 6 CA TRP A 6 254.304 227.296 265.242 1.00 0.00 C +ATOM 7 CA GLN A 7 256.577 226.740 262.235 1.00 0.00 C +ATOM 8 CA GLN A 8 258.555 224.918 259.536 1.00 0.00 C +ATOM 9 CA VAL A 9 257.632 222.005 257.260 1.00 0.00 C +ATOM 10 CA LEU A 10 256.244 218.483 257.692 1.00 0.00 C +ATOM 11 CA PRO A 11 256.658 215.350 255.564 1.00 0.00 C +ATOM 12 CA LYS A 12 257.743 216.122 251.994 1.00 0.00 C +ATOM 13 CA ARG A 13 258.334 213.452 249.341 1.00 0.00 C +ATOM 14 CA ALA A 14 259.198 213.897 245.657 1.00 0.00 C +ATOM 15 CA GLY A 15 259.315 217.286 243.922 1.00 0.00 C +ATOM 16 CA ARG A 16 260.390 220.412 245.817 1.00 0.00 C +ATOM 17 CA ARG A 17 261.080 223.061 243.167 1.00 0.00 C +ATOM 18 CA LYS A 18 261.842 226.537 241.807 1.00 0.00 C +ATOM 19 CA GLU A 19 263.146 230.016 240.964 1.00 0.00 C +ATOM 20 CA HIS A 20 260.562 232.553 242.150 1.00 0.00 C +ATOM 21 CA PRO A 21 256.754 232.650 242.074 1.00 0.00 C +ATOM 22 CA VAL A 22 253.273 233.197 240.626 1.00 0.00 C +ATOM 23 CA GLN A 23 249.988 233.716 242.485 1.00 0.00 C +ATOM 24 CA TYR A 24 248.661 236.428 244.809 1.00 0.00 C +ATOM 25 CA MET A 25 246.274 239.174 245.941 1.00 0.00 C +ATOM 26 CA PRO A 26 245.244 242.395 244.185 1.00 0.00 C +ATOM 27 CA HIS A 27 247.027 245.558 245.338 1.00 0.00 C +ATOM 28 CA LYS A 28 249.441 247.544 247.517 1.00 0.00 C +ATOM 29 CA LYS A 29 247.924 250.696 249.027 1.00 0.00 C +ATOM 30 CA GLU A 30 244.382 251.842 248.214 1.00 0.00 C +ATOM 31 CA GLU A 31 242.585 254.994 247.052 1.00 0.00 C +ATOM 32 CA ASN A 32 241.572 258.662 247.247 1.00 0.00 C +ATOM 33 CA ALA A 33 244.276 261.336 247.013 1.00 0.00 C +ATOM 34 CA THR A 34 243.817 265.106 246.703 1.00 0.00 C +ATOM 35 CA GLY A 35 243.111 267.125 243.550 1.00 0.00 C +ATOM 36 CA LEU A 36 240.640 270.011 243.824 1.00 0.00 C +ATOM 37 CA MET A 37 240.060 272.446 240.952 1.00 0.00 C +ATOM 38 CA ASN A 38 240.186 276.242 240.641 1.00 0.00 C +ATOM 39 CA PRO A 39 242.215 278.883 242.491 1.00 0.00 C +ATOM 40 CA SER A 40 242.899 282.191 240.729 1.00 0.00 C +ATOM 41 CA LEU A 41 241.954 285.702 239.590 1.00 0.00 C +ATOM 42 CA HIS A 42 240.159 288.946 238.714 1.00 0.00 C +ATOM 43 CA THR A 43 239.541 292.259 240.493 1.00 0.00 C +ATOM 44 CA SER A 44 241.092 292.185 243.972 1.00 0.00 C +ATOM 45 CA HIS A 45 242.811 290.880 247.111 1.00 0.00 C +ATOM 46 CA SER A 46 245.277 292.624 249.434 1.00 0.00 C +ATOM 47 CA ALA A 47 245.521 293.751 253.065 1.00 0.00 C +ATOM 48 CA ILE A 48 244.393 295.743 256.110 1.00 0.00 C +ATOM 49 CA LEU A 49 245.784 298.570 258.252 1.00 0.00 C +ATOM 50 CA LYS A 50 245.810 297.887 262.001 1.00 0.00 C +TER 51 LYS A 50 +END diff --git a/Bacteria/O84790/O84790.dcd b/Bacteria/O84790/O84790.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8c7296bab21d09a1a1872c8c8416c7c4b63ab5ca --- /dev/null +++ b/Bacteria/O84790/O84790.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:58689ff6feb061014672a99af01e2f2eee9c94781c92ed27699a91568336f5c5 +size 6200276 diff --git a/Bacteria/O84790/top.pdb b/Bacteria/O84790/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9b0efd9d332ef0269b82a2c8eb5b1f6d56733dd7 --- /dev/null +++ b/Bacteria/O84790/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 1 253.657 256.685 239.001 1.00 0.00 C +ATOM 2 CA LYS A 2 251.091 254.891 236.830 1.00 0.00 C +ATOM 3 CA ARG A 3 248.138 252.832 238.080 1.00 0.00 C +ATOM 4 CA THR A 4 245.114 252.499 235.787 1.00 0.00 C +ATOM 5 CA TYR A 5 242.426 254.643 234.146 1.00 0.00 C +ATOM 6 CA GLN A 6 239.532 252.557 232.810 1.00 0.00 C +ATOM 7 CA PRO A 7 237.305 249.537 233.473 1.00 0.00 C +ATOM 8 CA SER A 8 237.594 247.408 236.619 1.00 0.00 C +ATOM 9 CA LYS A 9 238.781 245.107 239.414 1.00 0.00 C +ATOM 10 CA ARG A 10 241.235 243.570 241.890 1.00 0.00 C +ATOM 11 CA LYS A 11 241.695 245.794 244.950 1.00 0.00 C +ATOM 12 CA ARG A 12 244.362 248.312 243.921 1.00 0.00 C +ATOM 13 CA ARG A 13 247.624 246.393 243.488 1.00 0.00 C +ATOM 14 CA ASN A 14 250.260 244.753 241.279 1.00 0.00 C +ATOM 15 CA SER A 15 252.670 243.169 238.790 1.00 0.00 C +ATOM 16 CA VAL A 16 256.142 242.186 240.012 1.00 0.00 C +ATOM 17 CA GLY A 17 256.451 239.531 242.726 1.00 0.00 C +ATOM 18 CA PHE A 18 254.751 237.119 245.136 1.00 0.00 C +ATOM 19 CA ARG A 19 255.865 236.996 248.777 1.00 0.00 C +ATOM 20 CA ALA A 20 255.107 237.043 252.511 1.00 0.00 C +ATOM 21 CA ARG A 21 254.687 237.130 256.296 1.00 0.00 C +ATOM 22 CA MET A 22 253.202 240.318 257.762 1.00 0.00 C +ATOM 23 CA ALA A 23 254.910 243.293 256.103 1.00 0.00 C +ATOM 24 CA THR A 24 255.028 245.599 253.073 1.00 0.00 C +ATOM 25 CA LYS A 25 254.354 244.164 249.609 1.00 0.00 C +ATOM 26 CA SER A 26 252.482 246.701 247.469 1.00 0.00 C +ATOM 27 CA GLY A 27 253.069 250.108 249.070 1.00 0.00 C +ATOM 28 CA ARG A 28 252.229 253.662 250.157 1.00 0.00 C +ATOM 29 CA ASN A 29 249.915 256.173 248.469 1.00 0.00 C +ATOM 30 CA LEU A 30 248.289 259.559 247.830 1.00 0.00 C +ATOM 31 CA LEU A 31 245.318 261.281 249.481 1.00 0.00 C +ATOM 32 CA ASN A 32 244.164 259.889 252.834 1.00 0.00 C +ATOM 33 CA ARG A 33 243.950 256.334 254.188 1.00 0.00 C +ATOM 34 CA ARG A 34 245.489 254.868 257.350 1.00 0.00 C +ATOM 35 CA ARG A 35 244.594 254.460 261.030 1.00 0.00 C +ATOM 36 CA ARG A 36 247.582 253.868 263.319 1.00 0.00 C +ATOM 37 CA HIS A 37 250.532 253.400 265.685 1.00 0.00 C +ATOM 38 CA GLY A 38 253.690 251.542 266.728 1.00 0.00 C +ATOM 39 CA ARG A 39 255.871 251.389 263.607 1.00 0.00 C +ATOM 40 CA HIS A 40 259.189 252.775 262.349 1.00 0.00 C +ATOM 41 CA SER A 41 261.287 255.495 263.999 1.00 0.00 C +ATOM 42 CA LEU A 42 259.672 256.901 267.150 1.00 0.00 C +ATOM 43 CA ILE A 43 256.145 258.228 266.588 1.00 0.00 C +ATOM 44 CA ASP A 44 254.069 260.665 264.522 1.00 0.00 C +ATOM 45 CA LEU A 45 250.480 261.173 265.693 1.00 0.00 C +TER 46 LEU A 45 +END diff --git a/Bacteria/O85587/O85587.dcd b/Bacteria/O85587/O85587.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b17d34604130cd8bb37675d798fa0c8a08bab57c --- /dev/null +++ b/Bacteria/O85587/O85587.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b5b23d8df4267c657d10b13d2277c54d85740184f9d9b15e46fb9538cdbc6cff +size 4400276 diff --git a/Bacteria/O85587/top.pdb b/Bacteria/O85587/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..735754f59fcd3c024fc3b2479c8ddb3df3f85305 --- /dev/null +++ b/Bacteria/O85587/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 LEU A 1 256.468 245.266 257.038 1.00 0.00 C +ATOM 2 CA ALA A 2 259.968 245.077 258.533 1.00 0.00 C +ATOM 3 CA LYS A 3 263.160 246.880 259.571 1.00 0.00 C +ATOM 4 CA PRO A 4 262.760 249.281 262.503 1.00 0.00 C +ATOM 5 CA VAL A 5 260.483 251.826 264.192 1.00 0.00 C +ATOM 6 CA LEU A 6 260.315 255.593 264.736 1.00 0.00 C +ATOM 7 CA ASP A 7 256.844 256.323 266.127 1.00 0.00 C +ATOM 8 CA THR A 8 253.908 253.899 266.268 1.00 0.00 C +ATOM 9 CA THR A 9 250.392 255.239 266.868 1.00 0.00 C +ATOM 10 CA THR A 10 248.120 255.963 263.897 1.00 0.00 C +ATOM 11 CA PRO A 11 245.761 252.976 263.718 1.00 0.00 C +ATOM 12 CA ASN A 12 246.165 251.562 260.204 1.00 0.00 C +ATOM 13 CA PRO A 13 246.563 248.017 258.866 1.00 0.00 C +ATOM 14 CA THR A 14 248.395 247.840 255.529 1.00 0.00 C +ATOM 15 CA ILE A 15 247.637 247.081 251.873 1.00 0.00 C +ATOM 16 CA ALA A 16 248.219 244.327 249.305 1.00 0.00 C +ATOM 17 CA GLY A 17 246.361 241.007 249.514 1.00 0.00 C +ATOM 18 CA LYS A 18 246.011 239.590 245.995 1.00 0.00 C +ATOM 19 CA GLY A 19 245.471 238.648 242.343 1.00 0.00 C +ATOM 20 CA THR A 20 246.641 240.027 238.989 1.00 0.00 C +ATOM 21 CA VAL A 21 247.050 241.657 235.570 1.00 0.00 C +ATOM 22 CA VAL A 22 247.638 243.193 232.133 1.00 0.00 C +ATOM 23 CA SER A 23 245.318 246.211 231.975 1.00 0.00 C +ATOM 24 CA SER A 24 243.815 249.517 233.129 1.00 0.00 C +ATOM 25 CA ALA A 25 246.770 251.836 233.767 1.00 0.00 C +ATOM 26 CA GLU A 26 245.704 255.493 233.837 1.00 0.00 C +ATOM 27 CA ASN A 27 244.605 258.788 235.402 1.00 0.00 C +ATOM 28 CA GLU A 28 245.868 262.263 236.320 1.00 0.00 C +ATOM 29 CA LEU A 29 246.196 263.755 239.811 1.00 0.00 C +ATOM 30 CA ALA A 30 247.396 260.867 241.986 1.00 0.00 C +TER 31 ALA A 30 +END diff --git a/Bacteria/O86060/O86060.dcd b/Bacteria/O86060/O86060.dcd new file mode 100644 index 0000000000000000000000000000000000000000..cf2bf901e5065333b7885498c8a7f72c638c8de6 --- /dev/null +++ b/Bacteria/O86060/O86060.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a1d875a53da6f52a6168aa6498b7130b187b26fda0771c414b7468e224861e81 +size 6560276 diff --git a/Bacteria/O86060/top.pdb b/Bacteria/O86060/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0a9bfb913f80afca4bea7686c439427bf604af12 --- /dev/null +++ b/Bacteria/O86060/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 LYS A 1 256.883 259.415 268.801 1.00 0.00 C +ATOM 2 CA GLY A 2 258.341 259.826 272.296 1.00 0.00 C +ATOM 3 CA ASN A 3 258.706 256.345 273.802 1.00 0.00 C +ATOM 4 CA ASP A 4 257.612 253.843 276.459 1.00 0.00 C +ATOM 5 CA PRO A 5 254.882 253.620 279.106 1.00 0.00 C +ATOM 6 CA LEU A 6 251.648 252.380 277.518 1.00 0.00 C +ATOM 7 CA TYR A 7 250.383 249.643 275.188 1.00 0.00 C +ATOM 8 CA ALA A 8 246.737 248.539 275.224 1.00 0.00 C +ATOM 9 CA ARG A 9 246.916 244.740 275.442 1.00 0.00 C +ATOM 10 CA PRO A 10 249.249 241.744 275.127 1.00 0.00 C +ATOM 11 CA PRO A 11 248.357 240.033 271.842 1.00 0.00 C +ATOM 12 CA GLY A 12 246.285 238.656 268.957 1.00 0.00 C +ATOM 13 CA ARG A 13 245.500 241.168 266.203 1.00 0.00 C +ATOM 14 CA ARG A 14 245.215 244.680 264.753 1.00 0.00 C +ATOM 15 CA ARG A 15 242.076 246.210 263.229 1.00 0.00 C +ATOM 16 CA PRO A 16 241.768 249.832 262.087 1.00 0.00 C +ATOM 17 CA ARG A 17 243.627 253.095 261.449 1.00 0.00 C +ATOM 18 CA VAL A 18 247.320 252.708 260.592 1.00 0.00 C +ATOM 19 CA ARG A 19 249.971 250.005 261.016 1.00 0.00 C +ATOM 20 CA ARG A 20 251.348 246.821 259.441 1.00 0.00 C +ATOM 21 CA TYR A 21 250.197 246.036 255.895 1.00 0.00 C +ATOM 22 CA LEU A 22 252.555 246.310 252.915 1.00 0.00 C +ATOM 23 CA GLU A 23 252.740 243.249 250.653 1.00 0.00 C +ATOM 24 CA ARG A 24 254.479 244.443 247.480 1.00 0.00 C +ATOM 25 CA ARG A 25 256.457 243.528 244.355 1.00 0.00 C +ATOM 26 CA HIS A 26 256.041 243.602 240.568 1.00 0.00 C +ATOM 27 CA ALA A 27 253.740 245.506 238.204 1.00 0.00 C +ATOM 28 CA PRO A 28 252.462 243.364 235.324 1.00 0.00 C +ATOM 29 CA VAL A 29 254.969 240.705 234.244 1.00 0.00 C +ATOM 30 CA ARG A 30 256.224 241.144 230.673 1.00 0.00 C +ATOM 31 CA ARG A 31 256.130 241.329 226.869 1.00 0.00 C +ATOM 32 CA PRO A 32 253.116 240.521 224.682 1.00 0.00 C +ATOM 33 CA ALA A 33 249.942 240.994 226.735 1.00 0.00 C +ATOM 34 CA GLY A 34 247.861 242.212 229.685 1.00 0.00 C +ATOM 35 CA GLY A 35 246.805 245.867 229.889 1.00 0.00 C +ATOM 36 CA ASP A 36 246.608 249.665 229.659 1.00 0.00 C +ATOM 37 CA GLY A 37 250.167 250.903 230.225 1.00 0.00 C +ATOM 38 CA ARG A 38 251.732 252.233 233.434 1.00 0.00 C +ATOM 39 CA ALA A 39 254.635 254.505 234.397 1.00 0.00 C +ATOM 40 CA TYR A 40 253.614 258.105 235.117 1.00 0.00 C +ATOM 41 CA GLY A 41 254.698 261.661 235.948 1.00 0.00 C +ATOM 42 CA GLN A 42 252.354 264.510 234.995 1.00 0.00 C +ATOM 43 CA ALA A 43 248.732 264.859 233.866 1.00 0.00 C +ATOM 44 CA GLU A 44 245.946 265.431 236.401 1.00 0.00 C +ATOM 45 CA ALA A 45 242.216 265.371 235.628 1.00 0.00 C +ATOM 46 CA GLY A 46 240.717 261.877 235.873 1.00 0.00 C +ATOM 47 CA ILE A 47 237.415 260.350 234.741 1.00 0.00 C +ATOM 48 CA ARG A 48 234.621 258.418 233.016 1.00 0.00 C +TER 49 ARG A 48 +END diff --git a/Bacteria/O86503/O86503.dcd b/Bacteria/O86503/O86503.dcd new file mode 100644 index 0000000000000000000000000000000000000000..dab9457c43825e54b6d1f0eb213a066519e4956a --- /dev/null +++ b/Bacteria/O86503/O86503.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ab037b667b370348d881de9c06b1a86c5be6eef3a14fd6ec502226996d6c5a6a +size 5960276 diff --git a/Bacteria/O86503/top.pdb b/Bacteria/O86503/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..336943ca5874e8c240776e376e00caaf5c4b9fcb --- /dev/null +++ b/Bacteria/O86503/top.pdb @@ -0,0 +1,47 @@ +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 1 247.355 251.858 244.880 1.00 0.00 C +ATOM 2 CA ALA A 2 248.136 248.178 244.275 1.00 0.00 C +ATOM 3 CA GLU A 3 249.934 246.893 247.378 1.00 0.00 C +ATOM 4 CA THR A 4 248.871 249.232 250.192 1.00 0.00 C +ATOM 5 CA THR A 5 247.185 249.373 253.605 1.00 0.00 C +ATOM 6 CA VAL A 6 243.712 250.167 254.957 1.00 0.00 C +ATOM 7 CA ARG A 7 243.176 248.047 258.077 1.00 0.00 C +ATOM 8 CA ARG A 8 243.370 246.822 261.679 1.00 0.00 C +ATOM 9 CA ARG A 9 243.040 245.499 265.237 1.00 0.00 C +ATOM 10 CA VAL A 10 242.400 245.363 268.990 1.00 0.00 C +ATOM 11 CA ARG A 11 239.161 247.185 269.827 1.00 0.00 C +ATOM 12 CA HIS A 12 236.501 246.449 267.200 1.00 0.00 C +ATOM 13 CA LEU A 13 237.103 248.566 264.091 1.00 0.00 C +ATOM 14 CA SER A 14 234.188 250.018 262.112 1.00 0.00 C +ATOM 15 CA ARG A 15 233.153 251.633 258.820 1.00 0.00 C +ATOM 16 CA THR A 16 236.359 253.062 257.340 1.00 0.00 C +ATOM 17 CA SER A 17 236.080 254.844 253.984 1.00 0.00 C +ATOM 18 CA ASP A 18 233.578 257.645 253.350 1.00 0.00 C +ATOM 19 CA SER A 19 233.931 261.023 255.076 1.00 0.00 C +ATOM 20 CA ASP A 20 237.522 261.594 256.216 1.00 0.00 C +ATOM 21 CA ARG A 21 240.620 262.719 254.306 1.00 0.00 C +ATOM 22 CA LYS A 22 243.687 260.488 253.941 1.00 0.00 C +ATOM 23 CA ASN A 23 247.093 261.760 255.080 1.00 0.00 C +ATOM 24 CA ALA A 24 249.540 262.489 252.253 1.00 0.00 C +ATOM 25 CA ALA A 25 252.693 260.350 252.240 1.00 0.00 C +ATOM 26 CA ALA A 26 253.299 257.879 255.077 1.00 0.00 C +ATOM 27 CA ALA A 27 256.317 255.603 254.600 1.00 0.00 C +ATOM 28 CA LEU A 28 259.995 256.187 253.798 1.00 0.00 C +ATOM 29 CA GLN A 29 260.603 255.394 250.121 1.00 0.00 C +ATOM 30 CA ARG A 30 261.971 252.771 247.720 1.00 0.00 C +ATOM 31 CA SER A 31 264.784 251.841 245.324 1.00 0.00 C +ATOM 32 CA LEU A 32 263.296 250.846 241.961 1.00 0.00 C +ATOM 33 CA ASP A 33 265.197 248.739 239.418 1.00 0.00 C +ATOM 34 CA ARG A 34 263.414 246.237 237.166 1.00 0.00 C +ATOM 35 CA ARG A 35 259.703 247.102 237.133 1.00 0.00 C +ATOM 36 CA ASP A 36 258.028 246.143 233.849 1.00 0.00 C +ATOM 37 CA ASN A 37 258.049 243.303 231.308 1.00 0.00 C +ATOM 38 CA GLY A 38 260.813 240.701 231.633 1.00 0.00 C +ATOM 39 CA GLY A 39 263.844 240.003 233.832 1.00 0.00 C +ATOM 40 CA ALA A 40 266.090 237.035 233.020 1.00 0.00 C +ATOM 41 CA THR A 41 264.490 233.616 233.536 1.00 0.00 C +ATOM 42 CA GLY A 42 262.179 232.467 236.339 1.00 0.00 C +ATOM 43 CA HIS A 43 259.542 232.879 239.057 1.00 0.00 C +TER 44 HIS A 43 +END diff --git a/Bacteria/O86672/O86672.dcd b/Bacteria/O86672/O86672.dcd new file mode 100644 index 0000000000000000000000000000000000000000..3583dab0488818e55d3a89e98cb9a7faef64656a --- /dev/null +++ b/Bacteria/O86672/O86672.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1b2515b33333cb39854512dde354c42a6139a579c296224c9b041caf598e5230 +size 14960276 diff --git a/Bacteria/O86672/top.pdb b/Bacteria/O86672/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0448e289c54ce5efbf2edf6da0e72e4ba3d37336 --- /dev/null +++ b/Bacteria/O86672/top.pdb @@ -0,0 +1,122 @@ +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 1 238.665 211.954 244.835 1.00 0.00 C +ATOM 2 CA LYS A 2 241.988 210.500 243.668 1.00 0.00 C +ATOM 3 CA ILE A 3 242.529 207.005 242.251 1.00 0.00 C +ATOM 4 CA VAL A 4 244.288 204.784 239.703 1.00 0.00 C +ATOM 5 CA PRO A 5 241.563 203.062 237.672 1.00 0.00 C +ATOM 6 CA ALA A 6 242.202 200.003 235.494 1.00 0.00 C +ATOM 7 CA ASP A 7 239.906 197.116 236.447 1.00 0.00 C +ATOM 8 CA VAL A 8 241.681 193.966 237.647 1.00 0.00 C +ATOM 9 CA GLY A 9 244.971 192.049 237.766 1.00 0.00 C +ATOM 10 CA PRO A 10 246.762 191.254 234.498 1.00 0.00 C +ATOM 11 CA ILE A 11 248.941 193.081 231.963 1.00 0.00 C +ATOM 12 CA GLU A 12 251.462 195.926 231.706 1.00 0.00 C +ATOM 13 CA VAL A 13 250.600 199.637 231.628 1.00 0.00 C +ATOM 14 CA LYS A 14 249.324 203.117 232.507 1.00 0.00 C +ATOM 15 CA GLY A 15 247.782 205.657 234.893 1.00 0.00 C +ATOM 16 CA PRO A 16 245.890 208.898 235.547 1.00 0.00 C +ATOM 17 CA ARG A 17 242.793 210.989 236.291 1.00 0.00 C +ATOM 18 CA ASP A 18 242.005 214.076 234.202 1.00 0.00 C +ATOM 19 CA THR A 19 243.569 217.051 232.406 1.00 0.00 C +ATOM 20 CA ALA A 20 242.712 219.907 230.035 1.00 0.00 C +ATOM 21 CA GLY A 21 243.395 223.091 228.057 1.00 0.00 C +ATOM 22 CA VAL A 22 245.574 225.770 229.666 1.00 0.00 C +ATOM 23 CA PHE A 23 249.309 226.500 229.844 1.00 0.00 C +ATOM 24 CA GLU A 24 250.366 230.161 229.820 1.00 0.00 C +ATOM 25 CA PRO A 25 251.735 231.781 226.655 1.00 0.00 C +ATOM 26 CA GLN A 26 251.894 230.479 223.078 1.00 0.00 C +ATOM 27 CA MET A 27 254.869 228.565 221.662 1.00 0.00 C +ATOM 28 CA VAL A 28 255.710 225.720 224.052 1.00 0.00 C +ATOM 29 CA LYS A 29 257.411 225.251 227.429 1.00 0.00 C +ATOM 30 CA LYS A 30 256.220 227.024 230.585 1.00 0.00 C +ATOM 31 CA ARG A 31 254.618 227.330 234.028 1.00 0.00 C +ATOM 32 CA ARG A 32 256.395 224.985 236.448 1.00 0.00 C +ATOM 33 CA GLN A 33 254.697 224.978 239.859 1.00 0.00 C +ATOM 34 CA GLN A 34 252.741 227.923 241.279 1.00 0.00 C +ATOM 35 CA ARG A 35 250.737 230.823 242.725 1.00 0.00 C +ATOM 36 CA ARG A 36 250.937 233.987 244.838 1.00 0.00 C +ATOM 37 CA THR A 37 248.458 235.709 247.163 1.00 0.00 C +ATOM 38 CA GLY A 38 247.259 238.053 249.917 1.00 0.00 C +ATOM 39 CA LEU A 39 244.365 239.909 251.559 1.00 0.00 C +ATOM 40 CA ASP A 40 242.907 243.180 252.860 1.00 0.00 C +ATOM 41 CA GLU A 41 242.651 244.601 256.386 1.00 0.00 C +ATOM 42 CA GLY A 42 242.910 245.445 260.092 1.00 0.00 C +ATOM 43 CA VAL A 43 244.828 247.737 262.456 1.00 0.00 C +ATOM 44 CA LEU A 44 248.150 246.562 263.905 1.00 0.00 C +ATOM 45 CA SER A 45 247.773 242.948 265.052 1.00 0.00 C +ATOM 46 CA LEU A 46 248.032 240.563 262.092 1.00 0.00 C +ATOM 47 CA SER A 47 250.747 237.922 262.501 1.00 0.00 C +ATOM 48 CA ALA A 48 253.821 236.252 264.010 1.00 0.00 C +ATOM 49 CA GLN A 49 256.179 238.254 266.236 1.00 0.00 C +ATOM 50 CA GLU A 50 259.707 238.950 267.495 1.00 0.00 C +ATOM 51 CA ARG A 51 263.146 240.271 266.526 1.00 0.00 C +ATOM 52 CA ARG A 52 266.604 239.259 267.763 1.00 0.00 C +ATOM 53 CA PRO A 53 270.274 240.284 267.712 1.00 0.00 C +ATOM 54 CA ALA A 54 271.640 243.291 269.611 1.00 0.00 C +ATOM 55 CA ASP A 55 269.537 245.919 271.395 1.00 0.00 C +ATOM 56 CA SER A 56 268.972 249.106 269.386 1.00 0.00 C +ATOM 57 CA GLY A 57 265.699 248.874 267.449 1.00 0.00 C +ATOM 58 CA ARG A 58 266.566 249.982 263.908 1.00 0.00 C +ATOM 59 CA GLU A 59 264.695 252.052 261.313 1.00 0.00 C +ATOM 60 CA SER A 60 265.517 254.124 258.224 1.00 0.00 C +ATOM 61 CA THR A 61 268.898 253.221 256.719 1.00 0.00 C +ATOM 62 CA THR A 62 272.159 252.233 258.424 1.00 0.00 C +ATOM 63 CA HIS A 63 273.792 253.605 261.581 1.00 0.00 C +ATOM 64 CA GLY A 64 273.360 257.389 261.486 1.00 0.00 C +ATOM 65 CA PRO A 65 276.466 258.768 263.208 1.00 0.00 C +ATOM 66 CA PRO A 66 277.101 260.495 266.544 1.00 0.00 C +ATOM 67 CA GLU A 67 274.147 261.577 268.695 1.00 0.00 C +ATOM 68 CA ALA A 68 271.211 263.530 267.252 1.00 0.00 C +ATOM 69 CA GLY A 69 267.915 261.686 266.752 1.00 0.00 C +ATOM 70 CA GLN A 70 264.997 260.385 268.828 1.00 0.00 C +ATOM 71 CA ARG A 71 261.651 261.812 269.962 1.00 0.00 C +ATOM 72 CA SER A 72 258.544 263.579 268.644 1.00 0.00 C +ATOM 73 CA ALA A 73 256.633 264.522 265.486 1.00 0.00 C +ATOM 74 CA SER A 74 252.940 265.267 264.915 1.00 0.00 C +ATOM 75 CA VAL A 75 249.606 265.801 266.680 1.00 0.00 C +ATOM 76 CA ARG A 76 248.846 269.494 266.129 1.00 0.00 C +ATOM 77 CA ALA A 77 248.488 273.119 267.246 1.00 0.00 C +ATOM 78 CA LEU A 78 246.204 275.358 265.176 1.00 0.00 C +ATOM 79 CA ALA A 79 242.623 274.934 263.946 1.00 0.00 C +ATOM 80 CA GLY A 80 241.460 272.324 261.426 1.00 0.00 C +ATOM 81 CA PRO A 81 240.372 271.946 257.795 1.00 0.00 C +ATOM 82 CA ALA A 82 243.026 270.851 255.291 1.00 0.00 C +ATOM 83 CA ASP A 83 242.864 272.323 251.780 1.00 0.00 C +ATOM 84 CA GLY A 84 244.991 270.663 249.090 1.00 0.00 C +ATOM 85 CA GLY A 85 245.228 272.180 245.603 1.00 0.00 C +ATOM 86 CA GLN A 86 242.941 272.932 242.650 1.00 0.00 C +ATOM 87 CA ALA A 87 240.500 274.880 240.466 1.00 0.00 C +ATOM 88 CA TRP A 88 237.998 274.184 237.679 1.00 0.00 C +ATOM 89 CA LYS A 89 237.646 276.188 234.458 1.00 0.00 C +ATOM 90 CA ASP A 90 236.212 278.515 231.804 1.00 0.00 C +ATOM 91 CA VAL A 91 233.866 281.390 232.668 1.00 0.00 C +ATOM 92 CA PRO A 92 232.011 282.175 235.902 1.00 0.00 C +ATOM 93 CA GLY A 93 229.970 284.918 237.583 1.00 0.00 C +ATOM 94 CA GLN A 94 231.406 287.572 239.909 1.00 0.00 C +ATOM 95 CA CYS A 95 233.910 289.872 241.628 1.00 0.00 C +ATOM 96 CA ARG A 96 235.777 292.783 240.029 1.00 0.00 C +ATOM 97 CA GLN A 97 237.294 296.190 240.810 1.00 0.00 C +ATOM 98 CA GLY A 98 237.220 297.056 244.520 1.00 0.00 C +ATOM 99 CA GLU A 99 236.032 295.761 247.900 1.00 0.00 C +ATOM 100 CA GLY A 100 233.570 294.461 250.501 1.00 0.00 C +ATOM 101 CA GLN A 101 231.335 291.651 249.225 1.00 0.00 C +ATOM 102 CA GLN A 102 232.923 288.227 249.743 1.00 0.00 C +ATOM 103 CA GLU A 103 235.647 285.644 250.393 1.00 0.00 C +ATOM 104 CA ARG A 104 234.773 281.936 250.368 1.00 0.00 C +ATOM 105 CA ASP A 105 236.749 279.088 251.951 1.00 0.00 C +ATOM 106 CA GLN A 106 237.387 278.760 255.693 1.00 0.00 C +ATOM 107 CA LYS A 107 240.364 279.579 257.925 1.00 0.00 C +ATOM 108 CA GLU A 108 244.084 279.106 257.251 1.00 0.00 C +ATOM 109 CA GLU A 109 247.232 281.129 257.967 1.00 0.00 C +ATOM 110 CA ASP A 110 250.984 280.813 257.386 1.00 0.00 C +ATOM 111 CA HIS A 111 251.694 277.078 257.630 1.00 0.00 C +ATOM 112 CA GLY A 112 249.568 274.235 259.012 1.00 0.00 C +ATOM 113 CA LEU A 113 251.980 271.941 260.866 1.00 0.00 C +ATOM 114 CA GLN A 114 255.205 272.154 258.849 1.00 0.00 C +ATOM 115 CA GLN A 115 258.820 273.318 259.148 1.00 0.00 C +ATOM 116 CA LEU A 116 260.395 276.763 258.740 1.00 0.00 C +ATOM 117 CA THR A 117 260.615 279.710 261.145 1.00 0.00 C +ATOM 118 CA GLN A 118 263.694 279.284 263.348 1.00 0.00 C +TER 119 GLN A 118 +END diff --git a/Bacteria/O86729/O86729.dcd b/Bacteria/O86729/O86729.dcd new file mode 100644 index 0000000000000000000000000000000000000000..799050dfc8c11390e1e8fae34122b99296de2028 --- /dev/null +++ b/Bacteria/O86729/O86729.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6bd00344f01b7a6ff796cecfc220e810d327ceaf525b16cc14e3e82a80387f0e +size 7280276 diff --git a/Bacteria/O86729/top.pdb b/Bacteria/O86729/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..23173ee8e15b562382f53abcc82a1f9b33f523ca --- /dev/null +++ b/Bacteria/O86729/top.pdb @@ -0,0 +1,58 @@ +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 1 249.849 251.610 278.454 1.00 0.00 C +ATOM 2 CA PRO A 2 251.766 249.807 281.209 1.00 0.00 C +ATOM 3 CA ASP A 3 249.437 247.213 282.746 1.00 0.00 C +ATOM 4 CA ARG A 4 247.607 244.313 281.084 1.00 0.00 C +ATOM 5 CA SER A 5 244.044 245.423 280.317 1.00 0.00 C +ATOM 6 CA PRO A 6 243.915 246.129 276.575 1.00 0.00 C +ATOM 7 CA LEU A 7 245.844 244.453 273.749 1.00 0.00 C +ATOM 8 CA GLY A 8 247.507 245.932 270.656 1.00 0.00 C +ATOM 9 CA PRO A 9 250.129 248.677 270.333 1.00 0.00 C +ATOM 10 CA PHE A 10 252.382 248.861 273.400 1.00 0.00 C +ATOM 11 CA HIS A 11 255.158 251.434 272.969 1.00 0.00 C +ATOM 12 CA ARG A 12 258.522 250.170 271.703 1.00 0.00 C +ATOM 13 CA ALA A 13 261.943 248.799 270.735 1.00 0.00 C +ATOM 14 CA ARG A 14 262.615 248.882 266.986 1.00 0.00 C +ATOM 15 CA GLY A 15 260.578 251.836 265.705 1.00 0.00 C +ATOM 16 CA PRO A 16 257.395 250.480 264.109 1.00 0.00 C +ATOM 17 CA PHE A 17 255.590 248.607 261.325 1.00 0.00 C +ATOM 18 CA LEU A 18 254.774 248.656 257.604 1.00 0.00 C +ATOM 19 CA THR A 19 252.867 247.953 254.381 1.00 0.00 C +ATOM 20 CA SER A 20 252.584 250.106 251.251 1.00 0.00 C +ATOM 21 CA ASP A 21 250.897 251.902 248.344 1.00 0.00 C +ATOM 22 CA HIS A 22 247.569 253.755 248.402 1.00 0.00 C +ATOM 23 CA ASP A 23 244.431 252.282 249.982 1.00 0.00 C +ATOM 24 CA GLY A 24 242.489 250.205 247.445 1.00 0.00 C +ATOM 25 CA THR A 25 239.762 249.027 245.060 1.00 0.00 C +ATOM 26 CA PRO A 26 237.551 251.133 242.782 1.00 0.00 C +ATOM 27 CA MET A 27 236.782 254.785 242.014 1.00 0.00 C +ATOM 28 CA PRO A 28 235.886 255.589 238.400 1.00 0.00 C +ATOM 29 CA ILE A 29 238.765 255.806 235.915 1.00 0.00 C +ATOM 30 CA GLY A 30 240.713 252.623 235.148 1.00 0.00 C +ATOM 31 CA SER A 31 238.493 249.850 233.771 1.00 0.00 C +ATOM 32 CA GLY A 32 237.226 246.984 231.603 1.00 0.00 C +ATOM 33 CA PRO A 33 239.216 245.383 228.776 1.00 0.00 C +ATOM 34 CA HIS A 34 242.996 244.910 228.831 1.00 0.00 C +ATOM 35 CA ARG A 35 245.484 247.778 228.522 1.00 0.00 C +ATOM 36 CA HIS A 36 248.581 249.816 229.401 1.00 0.00 C +ATOM 37 CA GLY A 37 249.576 251.193 232.812 1.00 0.00 C +ATOM 38 CA ARG A 38 253.048 251.715 234.291 1.00 0.00 C +ATOM 39 CA GLY A 39 256.380 249.869 234.193 1.00 0.00 C +ATOM 40 CA PRO A 40 258.740 248.008 231.852 1.00 0.00 C +ATOM 41 CA GLY A 41 262.210 249.427 232.531 1.00 0.00 C +ATOM 42 CA ARG A 42 263.009 248.475 236.133 1.00 0.00 C +ATOM 43 CA GLN A 43 263.244 250.763 239.171 1.00 0.00 C +ATOM 44 CA GLN A 44 261.945 248.614 242.037 1.00 0.00 C +ATOM 45 CA HIS A 45 260.430 246.261 244.622 1.00 0.00 C +ATOM 46 CA PRO A 46 256.842 246.934 245.711 1.00 0.00 C +ATOM 47 CA HIS A 47 254.330 248.414 243.259 1.00 0.00 C +ATOM 48 CA GLU A 48 250.699 247.680 242.369 1.00 0.00 C +ATOM 49 CA ARG A 49 247.590 248.967 240.582 1.00 0.00 C +ATOM 50 CA ARG A 50 245.917 251.003 237.830 1.00 0.00 C +ATOM 51 CA ASN A 51 246.123 254.746 237.149 1.00 0.00 C +ATOM 52 CA PRO A 52 249.445 256.548 237.635 1.00 0.00 C +ATOM 53 CA HIS A 53 250.726 258.827 234.864 1.00 0.00 C +ATOM 54 CA SER A 54 248.396 261.388 233.275 1.00 0.00 C +TER 55 SER A 54 +END diff --git a/Bacteria/O86789/O86789.dcd b/Bacteria/O86789/O86789.dcd new file mode 100644 index 0000000000000000000000000000000000000000..583fba7d262082dc20e3d268ffc89136fbce1e5c --- /dev/null +++ b/Bacteria/O86789/O86789.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fda2b55c8be52171dfd41b43e43a8864bd105a5cc623af795af93bf82fdfc6c7 +size 10160276 diff --git a/Bacteria/O86789/top.pdb b/Bacteria/O86789/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..714d5572451c0e2af017ca3ebc35fa94162b9ed3 --- /dev/null +++ b/Bacteria/O86789/top.pdb @@ -0,0 +1,82 @@ +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 1 212.729 241.530 255.315 1.00 0.00 C +ATOM 2 CA SER A 2 215.107 239.480 257.473 1.00 0.00 C +ATOM 3 CA SER A 3 214.625 236.761 260.097 1.00 0.00 C +ATOM 4 CA VAL A 4 216.766 236.061 263.170 1.00 0.00 C +ATOM 5 CA SER A 5 218.392 237.554 266.275 1.00 0.00 C +ATOM 6 CA GLN A 6 219.198 236.664 269.891 1.00 0.00 C +ATOM 7 CA ALA A 7 220.104 235.845 273.500 1.00 0.00 C +ATOM 8 CA GLN A 8 218.265 232.809 274.885 1.00 0.00 C +ATOM 9 CA PRO A 9 218.922 229.274 273.623 1.00 0.00 C +ATOM 10 CA GLN A 10 222.384 227.885 274.399 1.00 0.00 C +ATOM 11 CA GLY A 11 225.310 227.653 271.970 1.00 0.00 C +ATOM 12 CA ARG A 12 228.548 225.657 272.199 1.00 0.00 C +ATOM 13 CA PRO A 13 229.762 225.881 275.803 1.00 0.00 C +ATOM 14 CA ARG A 14 233.266 227.073 276.707 1.00 0.00 C +ATOM 15 CA HIS A 15 236.982 227.775 277.170 1.00 0.00 C +ATOM 16 CA LEU A 16 239.805 229.531 279.032 1.00 0.00 C +ATOM 17 CA PRO A 17 243.184 227.800 278.710 1.00 0.00 C +ATOM 18 CA PRO A 18 243.279 224.872 276.275 1.00 0.00 C +ATOM 19 CA ALA A 19 244.573 221.397 275.399 1.00 0.00 C +ATOM 20 CA PRO A 20 248.089 221.546 273.938 1.00 0.00 C +ATOM 21 CA ALA A 21 251.704 220.344 273.964 1.00 0.00 C +ATOM 22 CA GLY A 22 255.141 219.834 272.401 1.00 0.00 C +ATOM 23 CA VAL A 23 257.228 222.977 271.872 1.00 0.00 C +ATOM 24 CA SER A 24 256.448 224.184 268.344 1.00 0.00 C +ATOM 25 CA MET A 25 253.675 226.769 268.728 1.00 0.00 C +ATOM 26 CA HIS A 26 252.811 230.403 269.479 1.00 0.00 C +ATOM 27 CA ASP A 27 250.811 233.632 269.183 1.00 0.00 C +ATOM 28 CA LEU A 28 248.213 235.925 267.599 1.00 0.00 C +ATOM 29 CA LEU A 29 249.632 238.397 265.070 1.00 0.00 C +ATOM 30 CA ALA A 30 252.243 237.029 262.656 1.00 0.00 C +ATOM 31 CA SER A 31 253.731 234.413 260.319 1.00 0.00 C +ATOM 32 CA CYS A 32 255.198 234.994 256.851 1.00 0.00 C +ATOM 33 CA ALA A 33 258.825 235.160 255.698 1.00 0.00 C +ATOM 34 CA ALA A 34 261.718 237.346 256.869 1.00 0.00 C +ATOM 35 CA ALA A 35 265.167 238.853 257.462 1.00 0.00 C +ATOM 36 CA THR A 36 267.413 241.888 256.957 1.00 0.00 C +ATOM 37 CA ALA A 37 266.173 245.058 255.245 1.00 0.00 C +ATOM 38 CA VAL A 38 263.715 247.956 255.514 1.00 0.00 C +ATOM 39 CA SER A 39 263.125 251.673 254.918 1.00 0.00 C +ATOM 40 CA THR A 40 265.623 252.624 252.203 1.00 0.00 C +ATOM 41 CA PRO A 41 268.703 250.914 250.751 1.00 0.00 C +ATOM 42 CA PRO A 42 269.063 251.542 247.011 1.00 0.00 C +ATOM 43 CA ARG A 43 268.044 252.104 243.383 1.00 0.00 C +ATOM 44 CA ALA A 44 266.729 250.286 240.303 1.00 0.00 C +ATOM 45 CA PRO A 45 265.653 252.147 237.158 1.00 0.00 C +ATOM 46 CA GLU A 46 266.749 255.772 236.737 1.00 0.00 C +ATOM 47 CA PRO A 47 267.868 258.886 238.626 1.00 0.00 C +ATOM 48 CA GLU A 48 269.884 258.120 241.766 1.00 0.00 C +ATOM 49 CA ALA A 49 269.952 260.479 244.757 1.00 0.00 C +ATOM 50 CA ARG A 50 272.708 263.053 245.299 1.00 0.00 C +ATOM 51 CA GLY A 51 273.102 266.084 243.024 1.00 0.00 C +ATOM 52 CA PRO A 52 274.234 269.639 242.249 1.00 0.00 C +ATOM 53 CA VAL A 53 271.074 271.421 241.083 1.00 0.00 C +ATOM 54 CA ARG A 54 268.760 272.250 238.172 1.00 0.00 C +ATOM 55 CA ASP A 55 267.532 273.247 234.707 1.00 0.00 C +ATOM 56 CA GLN A 56 264.870 270.894 233.332 1.00 0.00 C +ATOM 57 CA GLN A 57 262.266 268.909 235.281 1.00 0.00 C +ATOM 58 CA GLY A 58 259.871 267.257 232.821 1.00 0.00 C +ATOM 59 CA GLN A 59 258.522 264.492 230.572 1.00 0.00 C +ATOM 60 CA GLN A 60 259.647 264.782 226.944 1.00 0.00 C +ATOM 61 CA GLY A 61 257.066 266.241 224.550 1.00 0.00 C +ATOM 62 CA ARG A 62 255.971 268.236 221.495 1.00 0.00 C +ATOM 63 CA GLN A 63 254.053 270.720 219.334 1.00 0.00 C +ATOM 64 CA SER A 64 254.119 273.089 216.351 1.00 0.00 C +ATOM 65 CA GLN A 65 251.524 275.329 214.689 1.00 0.00 C +ATOM 66 CA GLN A 66 248.394 273.340 213.818 1.00 0.00 C +ATOM 67 CA GLY A 67 246.258 270.195 214.074 1.00 0.00 C +ATOM 68 CA GLN A 68 242.627 270.779 215.071 1.00 0.00 C +ATOM 69 CA GLN A 69 240.394 272.139 217.843 1.00 0.00 C +ATOM 70 CA ASP A 70 241.315 270.697 221.247 1.00 0.00 C +ATOM 71 CA ARG A 71 242.109 272.955 224.212 1.00 0.00 C +ATOM 72 CA GLN A 72 243.620 275.855 226.167 1.00 0.00 C +ATOM 73 CA SER A 73 245.178 279.166 227.227 1.00 0.00 C +ATOM 74 CA HIS A 74 245.701 281.083 230.479 1.00 0.00 C +ATOM 75 CA ARG A 75 248.426 280.287 233.019 1.00 0.00 C +ATOM 76 CA GLU A 76 247.093 278.609 236.169 1.00 0.00 C +ATOM 77 CA ALA A 77 247.421 278.763 239.962 1.00 0.00 C +ATOM 78 CA ALA A 78 245.615 277.734 243.155 1.00 0.00 C +TER 79 ALA A 78 +END diff --git a/Bacteria/O87089/O87089.dcd b/Bacteria/O87089/O87089.dcd new file mode 100644 index 0000000000000000000000000000000000000000..6d2b65204048785ae70c80abed199816089dd076 --- /dev/null +++ b/Bacteria/O87089/O87089.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b5ef00e2f23b22d3fc3f76a93fe012f3d0c58a62cf50e2805af213a33f56b14e +size 6920276 diff --git a/Bacteria/O87089/top.pdb b/Bacteria/O87089/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5bfe81b0e876b3205f16c0461d4b1757158dc39c --- /dev/null +++ b/Bacteria/O87089/top.pdb @@ -0,0 +1,55 @@ +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 1 234.999 275.924 248.283 1.00 0.00 C +ATOM 2 CA LYS A 2 238.787 275.556 248.447 1.00 0.00 C +ATOM 3 CA LEU A 3 239.916 273.298 251.301 1.00 0.00 C +ATOM 4 CA GLU A 4 241.666 270.016 252.131 1.00 0.00 C +ATOM 5 CA VAL A 5 243.773 270.062 255.305 1.00 0.00 C +ATOM 6 CA ASN A 6 243.737 267.232 257.856 1.00 0.00 C +ATOM 7 CA GLY A 7 244.552 263.541 258.335 1.00 0.00 C +ATOM 8 CA PRO A 8 245.171 259.905 259.288 1.00 0.00 C +ATOM 9 CA GLN A 9 246.375 256.627 257.764 1.00 0.00 C +ATOM 10 CA ASN A 10 245.139 255.580 254.315 1.00 0.00 C +ATOM 11 CA VAL A 11 243.086 253.194 252.170 1.00 0.00 C +ATOM 12 CA THR A 12 239.987 252.006 254.041 1.00 0.00 C +ATOM 13 CA TRP A 13 236.958 254.312 254.207 1.00 0.00 C +ATOM 14 CA SER A 14 233.434 252.872 254.357 1.00 0.00 C +ATOM 15 CA LEU A 15 232.727 249.170 254.919 1.00 0.00 C +ATOM 16 CA GLY A 16 235.280 247.470 257.179 1.00 0.00 C +ATOM 17 CA ARG A 17 238.248 248.632 259.266 1.00 0.00 C +ATOM 18 CA LYS A 18 237.412 248.831 262.978 1.00 0.00 C +ATOM 19 CA ASN A 19 239.203 249.297 266.308 1.00 0.00 C +ATOM 20 CA ALA A 20 241.645 252.164 266.890 1.00 0.00 C +ATOM 21 CA LYS A 21 243.003 253.214 263.489 1.00 0.00 C +ATOM 22 CA ILE A 22 243.644 251.059 260.413 1.00 0.00 C +ATOM 23 CA LYS A 23 246.809 250.494 258.368 1.00 0.00 C +ATOM 24 CA LEU A 24 250.177 249.238 257.105 1.00 0.00 C +ATOM 25 CA THR A 25 253.714 249.987 255.904 1.00 0.00 C +ATOM 26 CA SER A 26 255.953 252.914 256.871 1.00 0.00 C +ATOM 27 CA LYS A 27 257.113 256.510 256.382 1.00 0.00 C +ATOM 28 CA LYS A 28 259.243 258.916 254.336 1.00 0.00 C +ATOM 29 CA SER A 29 262.659 258.369 252.740 1.00 0.00 C +ATOM 30 CA ASN A 30 264.487 255.724 254.783 1.00 0.00 C +ATOM 31 CA THR A 31 265.728 252.174 255.396 1.00 0.00 C +ATOM 32 CA SER A 32 264.275 249.834 252.765 1.00 0.00 C +ATOM 33 CA THR A 33 261.334 249.173 250.434 1.00 0.00 C +ATOM 34 CA ASN A 34 260.672 245.818 248.755 1.00 0.00 C +ATOM 35 CA ASP A 35 257.023 244.876 249.318 1.00 0.00 C +ATOM 36 CA ASN A 36 255.475 241.445 248.727 1.00 0.00 C +ATOM 37 CA SER A 37 255.653 240.368 245.076 1.00 0.00 C +ATOM 38 CA SER A 38 252.881 238.066 243.838 1.00 0.00 C +ATOM 39 CA ASN A 39 249.650 236.758 242.300 1.00 0.00 C +ATOM 40 CA THR A 40 249.832 232.957 242.486 1.00 0.00 C +ATOM 41 CA SER A 41 247.220 231.314 240.252 1.00 0.00 C +ATOM 42 CA GLY A 42 247.880 230.365 236.621 1.00 0.00 C +ATOM 43 CA ASN A 43 251.104 230.008 234.623 1.00 0.00 C +ATOM 44 CA GLN A 44 253.178 233.122 235.338 1.00 0.00 C +ATOM 45 CA ASP A 45 254.229 236.741 234.776 1.00 0.00 C +ATOM 46 CA THR A 46 257.946 237.548 235.010 1.00 0.00 C +ATOM 47 CA ASP A 47 260.434 238.711 232.369 1.00 0.00 C +ATOM 48 CA LYS A 48 262.205 242.083 232.286 1.00 0.00 C +ATOM 49 CA GLN A 49 265.646 241.580 233.842 1.00 0.00 C +ATOM 50 CA THR A 50 268.629 241.477 231.474 1.00 0.00 C +ATOM 51 CA ASN A 51 270.112 243.469 228.585 1.00 0.00 C +TER 52 ASN A 51 +END diff --git a/Bacteria/O87450/O87450.dcd b/Bacteria/O87450/O87450.dcd new file mode 100644 index 0000000000000000000000000000000000000000..723afa721b004ae24f1cdd6a1b164bc9eb33b32a --- /dev/null +++ b/Bacteria/O87450/O87450.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ec35a8fc47630bf1d46344b71343e37b66f168dea9201af9363f4a2c567b4a17 +size 5840276 diff --git a/Bacteria/O87450/top.pdb b/Bacteria/O87450/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5d0ac5d3851abb72361600e1cb6664e2ba3cfe8c --- /dev/null +++ b/Bacteria/O87450/top.pdb @@ -0,0 +1,46 @@ +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 1 246.058 250.008 269.008 1.00 0.00 C +ATOM 2 CA LYS A 2 244.617 253.200 270.508 1.00 0.00 C +ATOM 3 CA ARG A 3 246.536 255.533 272.830 1.00 0.00 C +ATOM 4 CA VAL A 4 249.860 253.840 273.606 1.00 0.00 C +ATOM 5 CA SER A 5 250.640 252.288 276.997 1.00 0.00 C +ATOM 6 CA ARG A 6 252.240 248.845 276.680 1.00 0.00 C +ATOM 7 CA SER A 7 253.490 246.427 274.014 1.00 0.00 C +ATOM 8 CA PRO A 8 251.754 245.796 270.682 1.00 0.00 C +ATOM 9 CA THR A 9 249.795 245.580 267.422 1.00 0.00 C +ATOM 10 CA SER A 10 250.421 247.871 264.443 1.00 0.00 C +ATOM 11 CA SER A 11 250.861 251.104 262.475 1.00 0.00 C +ATOM 12 CA ARG A 12 249.796 254.586 263.596 1.00 0.00 C +ATOM 13 CA GLY A 13 249.990 255.715 267.230 1.00 0.00 C +ATOM 14 CA ALA A 14 252.458 258.497 268.056 1.00 0.00 C +ATOM 15 CA SER A 15 254.054 260.594 265.305 1.00 0.00 C +ATOM 16 CA PRO A 16 254.517 261.287 261.587 1.00 0.00 C +ATOM 17 CA ILE A 17 255.405 260.383 257.993 1.00 0.00 C +ATOM 18 CA ALA A 18 256.914 261.337 254.627 1.00 0.00 C +ATOM 19 CA SER A 19 256.228 259.435 251.398 1.00 0.00 C +ATOM 20 CA GLY A 20 253.454 256.950 250.595 1.00 0.00 C +ATOM 21 CA ALA A 21 249.765 257.557 251.331 1.00 0.00 C +ATOM 22 CA ARG A 22 246.031 257.738 252.067 1.00 0.00 C +ATOM 23 CA ARG A 23 244.325 259.771 249.334 1.00 0.00 C +ATOM 24 CA ALA A 24 245.315 261.420 246.045 1.00 0.00 C +ATOM 25 CA GLY A 25 246.774 259.238 243.284 1.00 0.00 C +ATOM 26 CA ALA A 26 246.926 255.501 244.012 1.00 0.00 C +ATOM 27 CA LYS A 27 249.630 253.315 242.455 1.00 0.00 C +ATOM 28 CA ALA A 28 250.040 251.948 238.922 1.00 0.00 C +ATOM 29 CA THR A 29 250.276 248.147 238.820 1.00 0.00 C +ATOM 30 CA SER A 30 249.145 244.529 238.438 1.00 0.00 C +ATOM 31 CA MET A 31 251.390 241.975 236.720 1.00 0.00 C +ATOM 32 CA ALA A 32 253.394 243.493 233.857 1.00 0.00 C +ATOM 33 CA ALA A 33 253.271 245.822 230.844 1.00 0.00 C +ATOM 34 CA SER A 34 251.143 245.475 227.703 1.00 0.00 C +ATOM 35 CA LYS A 35 252.594 243.878 224.563 1.00 0.00 C +ATOM 36 CA THR A 36 249.938 243.019 221.969 1.00 0.00 C +ATOM 37 CA CYS A 37 247.942 239.816 221.448 1.00 0.00 C +ATOM 38 CA SER A 38 246.072 238.071 224.272 1.00 0.00 C +ATOM 39 CA LEU A 39 246.516 234.306 223.899 1.00 0.00 C +ATOM 40 CA VAL A 40 248.159 233.004 227.081 1.00 0.00 C +ATOM 41 CA PRO A 41 247.123 232.394 230.696 1.00 0.00 C +ATOM 42 CA LYS A 42 245.138 230.306 233.189 1.00 0.00 C +TER 43 LYS A 42 +END diff --git a/Bacteria/O87553/O87553.dcd b/Bacteria/O87553/O87553.dcd new file mode 100644 index 0000000000000000000000000000000000000000..ca1f51ae6e4e727cb6ecdba07332257d1141b7ea --- /dev/null +++ b/Bacteria/O87553/O87553.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:86a72a5e27ad621ab21f4466bc66ae5f6438925aadd152a45465174544878141 +size 9560276 diff --git a/Bacteria/O87553/top.pdb b/Bacteria/O87553/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9e6eca598026cc196286cf4addaf85aa5aac991b --- /dev/null +++ b/Bacteria/O87553/top.pdb @@ -0,0 +1,77 @@ +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 1 284.662 239.488 258.381 1.00 0.00 C +ATOM 2 CA SER A 2 286.667 239.475 261.621 1.00 0.00 C +ATOM 3 CA ASP A 3 285.370 239.563 265.202 1.00 0.00 C +ATOM 4 CA LYS A 4 287.565 242.019 267.116 1.00 0.00 C +ATOM 5 CA LYS A 5 287.230 244.663 269.839 1.00 0.00 C +ATOM 6 CA GLN A 6 285.022 244.550 272.942 1.00 0.00 C +ATOM 7 CA GLU A 7 284.036 247.697 274.850 1.00 0.00 C +ATOM 8 CA ASN A 8 285.318 248.101 278.415 1.00 0.00 C +ATOM 9 CA LYS A 9 283.262 249.735 281.175 1.00 0.00 C +ATOM 10 CA TYR A 10 280.705 252.304 279.999 1.00 0.00 C +ATOM 11 CA SER A 11 279.186 255.726 279.293 1.00 0.00 C +ATOM 12 CA SER A 12 276.971 258.674 280.250 1.00 0.00 C +ATOM 13 CA SER A 13 277.250 262.298 279.108 1.00 0.00 C +ATOM 14 CA THR A 14 278.793 262.520 275.632 1.00 0.00 C +ATOM 15 CA GLY A 15 279.278 261.520 271.987 1.00 0.00 C +ATOM 16 CA SER A 16 277.870 258.108 271.042 1.00 0.00 C +ATOM 17 CA SER A 17 276.967 256.330 267.796 1.00 0.00 C +ATOM 18 CA ASN A 18 276.448 259.115 265.249 1.00 0.00 C +ATOM 19 CA GLY A 19 277.576 262.127 263.207 1.00 0.00 C +ATOM 20 CA SER A 20 277.932 261.144 259.543 1.00 0.00 C +ATOM 21 CA SER A 21 275.811 263.174 257.115 1.00 0.00 C +ATOM 22 CA ASN A 22 272.598 262.512 255.177 1.00 0.00 C +ATOM 23 CA GLY A 23 270.173 263.957 252.618 1.00 0.00 C +ATOM 24 CA SER A 24 268.308 261.608 250.269 1.00 0.00 C +ATOM 25 CA SER A 25 264.554 262.244 250.397 1.00 0.00 C +ATOM 26 CA ASN A 26 261.055 263.532 249.610 1.00 0.00 C +ATOM 27 CA GLU A 27 259.425 262.590 246.298 1.00 0.00 C +ATOM 28 CA GLY A 28 258.717 264.268 242.952 1.00 0.00 C +ATOM 29 CA ARG A 29 255.622 262.573 241.515 1.00 0.00 C +ATOM 30 CA ASP A 30 252.255 260.878 240.959 1.00 0.00 C +ATOM 31 CA GLU A 31 250.270 259.577 243.939 1.00 0.00 C +ATOM 32 CA PHE A 32 248.585 262.009 246.339 1.00 0.00 C +ATOM 33 CA PHE A 33 245.562 264.193 245.556 1.00 0.00 C +ATOM 34 CA MET A 34 242.146 263.239 244.165 1.00 0.00 C +ATOM 35 CA ASP A 35 239.119 260.958 244.556 1.00 0.00 C +ATOM 36 CA ILE A 36 235.743 261.889 246.056 1.00 0.00 C +ATOM 37 CA ASP A 37 232.071 262.903 246.145 1.00 0.00 C +ATOM 38 CA ARG A 38 229.759 264.092 243.360 1.00 0.00 C +ATOM 39 CA MET A 39 226.500 262.273 242.592 1.00 0.00 C +ATOM 40 CA ILE A 40 224.793 260.457 245.474 1.00 0.00 C +ATOM 41 CA ASN A 41 227.119 257.568 246.346 1.00 0.00 C +ATOM 42 CA GLU A 42 230.281 257.046 244.286 1.00 0.00 C +ATOM 43 CA GLY A 43 229.928 257.094 240.493 1.00 0.00 C +ATOM 44 CA LEU A 44 230.543 256.891 236.739 1.00 0.00 C +ATOM 45 CA GLY A 45 230.466 253.188 235.844 1.00 0.00 C +ATOM 46 CA GLY A 46 229.623 251.030 232.819 1.00 0.00 C +ATOM 47 CA GLY A 47 227.268 248.270 231.656 1.00 0.00 C +ATOM 48 CA VAL A 48 225.219 245.308 232.899 1.00 0.00 C +ATOM 49 CA VAL A 49 224.612 244.506 236.574 1.00 0.00 C +ATOM 50 CA ASN A 50 223.736 246.557 239.663 1.00 0.00 C +ATOM 51 CA GLU A 51 224.140 244.487 242.836 1.00 0.00 C +ATOM 52 CA HIS A 52 225.180 241.367 244.760 1.00 0.00 C +ATOM 53 CA HIS A 53 224.810 237.708 243.765 1.00 0.00 C +ATOM 54 CA ALA A 54 222.733 234.713 242.655 1.00 0.00 C +ATOM 55 CA GLY A 55 219.256 233.533 243.674 1.00 0.00 C +ATOM 56 CA THR A 56 217.896 230.872 241.311 1.00 0.00 C +ATOM 57 CA ILE A 57 217.481 228.210 238.617 1.00 0.00 C +ATOM 58 CA GLU A 58 219.504 225.140 239.616 1.00 0.00 C +ATOM 59 CA GLU A 59 221.898 224.505 236.721 1.00 0.00 C +ATOM 60 CA ALA A 60 222.709 226.872 233.848 1.00 0.00 C +ATOM 61 CA ARG A 61 226.490 227.313 234.021 1.00 0.00 C +ATOM 62 CA ASP A 62 227.994 230.130 236.098 1.00 0.00 C +ATOM 63 CA LEU A 63 230.540 232.797 235.137 1.00 0.00 C +ATOM 64 CA GLU A 64 231.577 234.340 238.463 1.00 0.00 C +ATOM 65 CA ARG A 65 234.730 236.361 237.762 1.00 0.00 C +ATOM 66 CA GLU A 66 238.110 237.708 236.634 1.00 0.00 C +ATOM 67 CA ASP A 67 240.135 240.653 235.313 1.00 0.00 C +ATOM 68 CA ARG A 68 240.988 242.657 238.440 1.00 0.00 C +ATOM 69 CA PRO A 69 244.290 243.927 239.853 1.00 0.00 C +ATOM 70 CA ASN A 70 244.675 246.791 242.336 1.00 0.00 C +ATOM 71 CA GLU A 71 248.148 247.235 243.839 1.00 0.00 C +ATOM 72 CA ASN A 72 251.588 245.602 243.959 1.00 0.00 C +ATOM 73 CA LYS A 73 255.159 245.537 245.286 1.00 0.00 C +TER 74 LYS A 73 +END diff --git a/Bacteria/P02961/P02961.dcd b/Bacteria/P02961/P02961.dcd new file mode 100644 index 0000000000000000000000000000000000000000..5c7cf3bdf6dce318a5af1012157a1e613f51709b --- /dev/null +++ b/Bacteria/P02961/P02961.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ad62329e84fabf34066760a30384dab3545bd53057a050bab2bd3aa7e6a1bb50 +size 12440276 diff --git a/Bacteria/P02961/top.pdb b/Bacteria/P02961/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4bda392cf0a08b528891934c2b22024196c659ae --- /dev/null +++ b/Bacteria/P02961/top.pdb @@ -0,0 +1,101 @@ +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 1 222.806 235.722 267.694 1.00 0.00 C +ATOM 2 CA ALA A 2 223.645 239.005 265.952 1.00 0.00 C +ATOM 3 CA LYS A 3 226.193 238.037 263.290 1.00 0.00 C +ATOM 4 CA GLN A 4 227.305 236.098 260.205 1.00 0.00 C +ATOM 5 CA THR A 5 226.622 238.269 257.149 1.00 0.00 C +ATOM 6 CA ASN A 6 225.452 236.733 253.865 1.00 0.00 C +ATOM 7 CA LYS A 7 226.540 235.629 250.384 1.00 0.00 C +ATOM 8 CA THR A 8 226.912 238.381 247.775 1.00 0.00 C +ATOM 9 CA ALA A 9 229.034 241.507 247.283 1.00 0.00 C +ATOM 10 CA SER A 10 231.971 242.267 244.979 1.00 0.00 C +ATOM 11 CA GLY A 11 235.189 241.158 246.691 1.00 0.00 C +ATOM 12 CA THR A 12 238.408 239.120 246.608 1.00 0.00 C +ATOM 13 CA SER A 13 241.857 239.392 245.013 1.00 0.00 C +ATOM 14 CA THR A 14 245.007 237.328 245.592 1.00 0.00 C +ATOM 15 CA GLN A 15 247.023 238.106 248.730 1.00 0.00 C +ATOM 16 CA HIS A 16 244.942 238.039 251.921 1.00 0.00 C +ATOM 17 CA VAL A 17 241.409 237.418 253.205 1.00 0.00 C +ATOM 18 CA LYS A 18 240.625 240.255 255.625 1.00 0.00 C +ATOM 19 CA GLN A 19 241.949 243.100 257.785 1.00 0.00 C +ATOM 20 CA GLN A 20 244.728 245.452 258.909 1.00 0.00 C +ATOM 21 CA ASN A 21 248.083 246.996 257.974 1.00 0.00 C +ATOM 22 CA ALA A 22 250.702 245.536 260.324 1.00 0.00 C +ATOM 23 CA GLN A 23 251.085 241.823 261.088 1.00 0.00 C +ATOM 24 CA ALA A 24 248.498 239.100 261.724 1.00 0.00 C +ATOM 25 CA SER A 25 248.160 235.652 263.310 1.00 0.00 C +ATOM 26 CA LYS A 26 247.585 235.600 267.076 1.00 0.00 C +ATOM 27 CA ASN A 27 247.173 237.914 270.074 1.00 0.00 C +ATOM 28 CA ASN A 28 246.530 241.578 269.253 1.00 0.00 C +ATOM 29 CA PHE A 29 246.413 243.165 265.791 1.00 0.00 C +ATOM 30 CA GLY A 30 246.756 246.937 265.371 1.00 0.00 C +ATOM 31 CA THR A 31 249.044 249.981 265.239 1.00 0.00 C +ATOM 32 CA GLU A 32 252.475 250.733 263.764 1.00 0.00 C +ATOM 33 CA PHE A 33 256.133 249.773 264.221 1.00 0.00 C +ATOM 34 CA GLY A 34 259.103 251.346 266.017 1.00 0.00 C +ATOM 35 CA SER A 35 262.379 253.289 266.110 1.00 0.00 C +ATOM 36 CA GLU A 36 262.632 256.441 263.983 1.00 0.00 C +ATOM 37 CA THR A 37 260.165 259.343 263.915 1.00 0.00 C +ATOM 38 CA ASN A 38 256.403 259.289 264.515 1.00 0.00 C +ATOM 39 CA VAL A 39 253.374 259.539 262.218 1.00 0.00 C +ATOM 40 CA GLN A 40 250.203 261.247 263.461 1.00 0.00 C +ATOM 41 CA GLU A 41 247.933 262.604 266.204 1.00 0.00 C +ATOM 42 CA VAL A 42 244.214 262.095 266.856 1.00 0.00 C +ATOM 43 CA LYS A 43 240.534 261.336 266.222 1.00 0.00 C +ATOM 44 CA GLN A 44 238.103 258.841 264.681 1.00 0.00 C +ATOM 45 CA GLN A 45 237.410 259.393 260.975 1.00 0.00 C +ATOM 46 CA ASN A 46 237.648 257.761 257.540 1.00 0.00 C +ATOM 47 CA ALA A 47 241.059 256.231 256.806 1.00 0.00 C +ATOM 48 CA GLN A 48 243.855 254.819 258.974 1.00 0.00 C +ATOM 49 CA ALA A 49 247.096 256.222 260.404 1.00 0.00 C +ATOM 50 CA ALA A 50 250.119 254.950 258.467 1.00 0.00 C +ATOM 51 CA ALA A 51 250.187 254.769 254.662 1.00 0.00 C +ATOM 52 CA ASN A 52 247.554 257.008 253.060 1.00 0.00 C +ATOM 53 CA LYS A 53 246.768 256.806 249.337 1.00 0.00 C +ATOM 54 CA SER A 54 246.508 259.434 246.591 1.00 0.00 C +ATOM 55 CA GLN A 55 243.038 260.687 245.639 1.00 0.00 C +ATOM 56 CA ASN A 56 240.747 257.843 244.553 1.00 0.00 C +ATOM 57 CA ALA A 57 237.342 256.794 243.204 1.00 0.00 C +ATOM 58 CA GLN A 58 236.677 253.258 244.456 1.00 0.00 C +ATOM 59 CA ALA A 59 234.429 250.778 246.277 1.00 0.00 C +ATOM 60 CA SER A 60 235.647 247.219 246.880 1.00 0.00 C +ATOM 61 CA LYS A 61 238.395 245.898 244.595 1.00 0.00 C +ATOM 62 CA ASN A 62 242.164 246.027 244.050 1.00 0.00 C +ATOM 63 CA ASN A 63 244.595 244.650 246.640 1.00 0.00 C +ATOM 64 CA PHE A 64 246.065 247.659 248.457 1.00 0.00 C +ATOM 65 CA GLY A 65 246.954 250.871 246.611 1.00 0.00 C +ATOM 66 CA THR A 66 246.886 249.977 242.908 1.00 0.00 C +ATOM 67 CA GLU A 67 244.238 252.223 241.340 1.00 0.00 C +ATOM 68 CA PHE A 68 241.867 254.590 239.525 1.00 0.00 C +ATOM 69 CA ALA A 69 241.546 257.375 236.945 1.00 0.00 C +ATOM 70 CA SER A 70 241.125 256.712 233.217 1.00 0.00 C +ATOM 71 CA GLU A 71 243.558 258.422 230.836 1.00 0.00 C +ATOM 72 CA THR A 72 245.608 261.045 228.982 1.00 0.00 C +ATOM 73 CA SER A 73 249.080 262.599 228.783 1.00 0.00 C +ATOM 74 CA ALA A 74 250.942 261.523 225.637 1.00 0.00 C +ATOM 75 CA GLN A 75 252.961 258.440 224.670 1.00 0.00 C +ATOM 76 CA GLU A 76 253.041 255.104 226.508 1.00 0.00 C +ATOM 77 CA VAL A 77 255.093 251.897 226.657 1.00 0.00 C +ATOM 78 CA ARG A 78 258.218 249.956 227.647 1.00 0.00 C +ATOM 79 CA GLN A 79 259.450 250.798 231.153 1.00 0.00 C +ATOM 80 CA GLN A 80 261.975 253.516 232.019 1.00 0.00 C +ATOM 81 CA ASN A 81 263.043 255.872 234.816 1.00 0.00 C +ATOM 82 CA ALA A 82 262.557 256.372 238.562 1.00 0.00 C +ATOM 83 CA GLN A 83 263.895 255.128 241.906 1.00 0.00 C +ATOM 84 CA ALA A 84 265.965 252.006 242.599 1.00 0.00 C +ATOM 85 CA GLN A 85 266.101 250.073 245.879 1.00 0.00 C +ATOM 86 CA ALA A 86 269.269 250.386 247.973 1.00 0.00 C +ATOM 87 CA LYS A 87 272.649 248.733 247.375 1.00 0.00 C +ATOM 88 CA LYS A 88 275.998 246.948 247.036 1.00 0.00 C +ATOM 89 CA ASN A 89 277.931 245.385 244.148 1.00 0.00 C +ATOM 90 CA GLN A 90 279.929 246.849 241.254 1.00 0.00 C +ATOM 91 CA ASN A 91 283.362 247.271 239.656 1.00 0.00 C +ATOM 92 CA SER A 92 286.613 249.149 240.304 1.00 0.00 C +ATOM 93 CA GLY A 93 288.778 251.563 238.303 1.00 0.00 C +ATOM 94 CA LYS A 94 288.908 254.960 236.583 1.00 0.00 C +ATOM 95 CA TYR A 95 287.154 258.280 237.226 1.00 0.00 C +ATOM 96 CA GLN A 96 286.949 262.082 237.089 1.00 0.00 C +ATOM 97 CA GLY A 97 289.756 264.514 236.238 1.00 0.00 C +TER 98 GLY A 97 +END diff --git a/Bacteria/P07786/P07786.dcd b/Bacteria/P07786/P07786.dcd new file mode 100644 index 0000000000000000000000000000000000000000..9f4d9a855460d72452d0d473b5fb8df6b95d5bd3 --- /dev/null +++ b/Bacteria/P07786/P07786.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:22b67ad3d18f8463b5ff2548ee97ea344f92f8c9f0f0d2bf5be26fba93bfc55b +size 12320276 diff --git a/Bacteria/P07786/top.pdb b/Bacteria/P07786/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..86d12aa77c93aa1ac766bf7c58a57428b687a582 --- /dev/null +++ b/Bacteria/P07786/top.pdb @@ -0,0 +1,100 @@ +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 1 256.783 254.174 270.748 1.00 0.00 C +ATOM 2 CA ASN A 2 257.227 253.603 267.007 1.00 0.00 C +ATOM 3 CA THR A 3 258.573 250.879 264.709 1.00 0.00 C +ATOM 4 CA LYS A 4 256.458 250.109 261.634 1.00 0.00 C +ATOM 5 CA ASN A 5 252.838 250.904 260.752 1.00 0.00 C +ATOM 6 CA PHE A 6 249.205 249.845 260.311 1.00 0.00 C +ATOM 7 CA THR A 7 245.827 251.596 260.103 1.00 0.00 C +ATOM 8 CA PRO A 8 243.940 250.378 257.025 1.00 0.00 C +ATOM 9 CA GLN A 9 246.493 248.993 254.559 1.00 0.00 C +ATOM 10 CA GLU A 10 248.908 246.307 253.346 1.00 0.00 C +ATOM 11 CA SER A 11 250.965 243.539 251.728 1.00 0.00 C +ATOM 12 CA ARG A 12 252.759 245.222 248.818 1.00 0.00 C +ATOM 13 CA THR A 13 256.486 245.869 248.362 1.00 0.00 C +ATOM 14 CA ASN A 14 258.533 243.133 250.048 1.00 0.00 C +ATOM 15 CA ALA A 15 256.936 242.531 253.454 1.00 0.00 C +ATOM 16 CA GLN A 16 257.760 240.121 256.288 1.00 0.00 C +ATOM 17 CA GLN A 17 257.542 238.106 259.514 1.00 0.00 C +ATOM 18 CA VAL A 18 256.045 238.733 262.961 1.00 0.00 C +ATOM 19 CA ARG A 19 253.588 236.058 264.112 1.00 0.00 C +ATOM 20 CA GLN A 20 250.245 234.238 263.945 1.00 0.00 C +ATOM 21 CA GLN A 21 250.442 230.483 264.556 1.00 0.00 C +ATOM 22 CA ASN A 22 254.099 229.637 265.211 1.00 0.00 C +ATOM 23 CA GLN A 23 255.458 229.314 268.756 1.00 0.00 C +ATOM 24 CA GLN A 24 258.416 230.509 270.838 1.00 0.00 C +ATOM 25 CA SER A 25 261.542 228.463 270.090 1.00 0.00 C +ATOM 26 CA ALA A 26 264.980 230.096 269.916 1.00 0.00 C +ATOM 27 CA GLN A 27 268.750 230.481 269.522 1.00 0.00 C +ATOM 28 CA GLY A 28 271.169 228.075 267.827 1.00 0.00 C +ATOM 29 CA THR A 29 272.540 226.533 264.624 1.00 0.00 C +ATOM 30 CA SER A 30 271.002 225.118 261.438 1.00 0.00 C +ATOM 31 CA SER A 31 269.640 227.268 258.602 1.00 0.00 C +ATOM 32 CA GLY A 32 269.868 228.695 255.077 1.00 0.00 C +ATOM 33 CA PHE A 33 269.632 228.867 251.278 1.00 0.00 C +ATOM 34 CA ALA A 34 266.349 229.263 249.385 1.00 0.00 C +ATOM 35 CA THR A 35 266.793 232.344 247.188 1.00 0.00 C +ATOM 36 CA GLU A 36 266.807 234.283 243.908 1.00 0.00 C +ATOM 37 CA PHE A 37 268.292 237.740 244.509 1.00 0.00 C +ATOM 38 CA ALA A 38 265.500 240.319 244.770 1.00 0.00 C +ATOM 39 CA SER A 39 263.510 239.344 247.869 1.00 0.00 C +ATOM 40 CA GLU A 40 260.173 237.511 247.727 1.00 0.00 C +ATOM 41 CA THR A 41 256.485 236.650 247.305 1.00 0.00 C +ATOM 42 CA ASN A 42 254.656 233.308 247.331 1.00 0.00 C +ATOM 43 CA ALA A 43 250.904 232.643 247.374 1.00 0.00 C +ATOM 44 CA GLN A 44 248.923 235.634 246.091 1.00 0.00 C +ATOM 45 CA GLN A 45 245.857 236.812 244.161 1.00 0.00 C +ATOM 46 CA VAL A 46 244.267 240.267 244.392 1.00 0.00 C +ATOM 47 CA ARG A 47 241.533 242.786 243.555 1.00 0.00 C +ATOM 48 CA GLN A 48 239.180 242.842 246.551 1.00 0.00 C +ATOM 49 CA GLN A 49 240.974 241.147 249.453 1.00 0.00 C +ATOM 50 CA ASN A 50 244.311 242.913 249.965 1.00 0.00 C +ATOM 51 CA GLN A 51 245.379 245.508 247.389 1.00 0.00 C +ATOM 52 CA GLN A 52 247.353 245.716 244.137 1.00 0.00 C +ATOM 53 CA SER A 53 247.017 247.923 241.050 1.00 0.00 C +ATOM 54 CA ALA A 54 248.270 250.489 238.528 1.00 0.00 C +ATOM 55 CA GLN A 55 252.057 250.883 238.381 1.00 0.00 C +ATOM 56 CA ALA A 56 253.156 253.728 236.097 1.00 0.00 C +ATOM 57 CA ASN A 57 252.302 257.374 236.801 1.00 0.00 C +ATOM 58 CA ARG A 58 252.926 261.101 236.318 1.00 0.00 C +ATOM 59 CA MET A 59 255.796 263.242 237.622 1.00 0.00 C +ATOM 60 CA SER A 60 256.315 266.492 239.541 1.00 0.00 C +ATOM 61 CA GLY A 61 255.370 266.399 243.230 1.00 0.00 C +ATOM 62 CA ALA A 62 253.267 267.200 246.304 1.00 0.00 C +ATOM 63 CA THR A 63 251.936 265.803 249.590 1.00 0.00 C +ATOM 64 CA ALA A 64 248.536 265.637 251.300 1.00 0.00 C +ATOM 65 CA GLY A 65 245.363 263.614 250.704 1.00 0.00 C +ATOM 66 CA GLY A 66 242.781 263.816 253.499 1.00 0.00 C +ATOM 67 CA PHE A 67 239.251 264.514 254.750 1.00 0.00 C +ATOM 68 CA ASN A 68 236.248 262.396 253.745 1.00 0.00 C +ATOM 69 CA THR A 69 233.178 260.155 254.009 1.00 0.00 C +ATOM 70 CA GLU A 70 229.429 259.849 254.617 1.00 0.00 C +ATOM 71 CA PHE A 71 227.979 256.494 253.543 1.00 0.00 C +ATOM 72 CA ALA A 72 228.499 253.350 251.455 1.00 0.00 C +ATOM 73 CA SER A 73 227.588 250.283 253.525 1.00 0.00 C +ATOM 74 CA GLU A 74 230.467 248.289 255.025 1.00 0.00 C +ATOM 75 CA THR A 75 232.945 245.800 253.549 1.00 0.00 C +ATOM 76 CA ASN A 76 234.109 246.788 250.058 1.00 0.00 C +ATOM 77 CA VAL A 77 233.765 249.609 247.520 1.00 0.00 C +ATOM 78 CA GLN A 78 236.433 251.517 245.581 1.00 0.00 C +ATOM 79 CA GLN A 79 237.864 254.921 244.645 1.00 0.00 C +ATOM 80 CA VAL A 80 240.283 257.712 245.580 1.00 0.00 C +ATOM 81 CA ARG A 81 242.128 259.262 242.629 1.00 0.00 C +ATOM 82 CA GLN A 82 240.790 262.718 241.744 1.00 0.00 C +ATOM 83 CA GLN A 83 239.680 265.404 239.281 1.00 0.00 C +ATOM 84 CA ASN A 84 242.441 266.471 236.881 1.00 0.00 C +ATOM 85 CA GLN A 85 244.434 268.752 234.571 1.00 0.00 C +ATOM 86 CA GLN A 86 245.761 272.289 235.070 1.00 0.00 C +ATOM 87 CA SER A 87 249.190 273.481 236.226 1.00 0.00 C +ATOM 88 CA GLU A 88 250.232 276.533 238.254 1.00 0.00 C +ATOM 89 CA ALA A 89 250.454 279.970 236.624 1.00 0.00 C +ATOM 90 CA LYS A 90 249.340 283.451 235.547 1.00 0.00 C +ATOM 91 CA LYS A 91 245.708 284.559 235.237 1.00 0.00 C +ATOM 92 CA ARG A 92 243.472 281.491 234.916 1.00 0.00 C +ATOM 93 CA ASN A 93 241.475 278.463 233.753 1.00 0.00 C +ATOM 94 CA ASN A 94 238.015 278.213 235.328 1.00 0.00 C +ATOM 95 CA GLN A 95 236.108 276.077 237.842 1.00 0.00 C +ATOM 96 CA GLN A 96 235.744 272.580 239.310 1.00 0.00 C +TER 97 GLN A 96 +END diff --git a/Bacteria/P09165/P09165.dcd b/Bacteria/P09165/P09165.dcd new file mode 100644 index 0000000000000000000000000000000000000000..7eef11dfdb38c50b609b7a395a8e38b616d51d4e --- /dev/null +++ b/Bacteria/P09165/P09165.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:427ec9db16b324f669a3ae8ebb8c2188aac6a8d82cfdfdc4bec8d3303f33c408 +size 8120276 diff --git a/Bacteria/P09165/top.pdb b/Bacteria/P09165/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..04309b228ae4e90c939cdb9e2f5f68a9fa5920e2 --- /dev/null +++ b/Bacteria/P09165/top.pdb @@ -0,0 +1,65 @@ +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 1 248.922 222.946 270.195 1.00 0.00 C +ATOM 2 CA MET A 2 250.067 225.440 272.838 1.00 0.00 C +ATOM 3 CA ILE A 3 250.338 229.231 272.569 1.00 0.00 C +ATOM 4 CA LYS A 4 253.375 230.758 270.849 1.00 0.00 C +ATOM 5 CA ARG A 5 253.169 233.409 268.120 1.00 0.00 C +ATOM 6 CA HIS A 6 251.193 235.817 265.926 1.00 0.00 C +ATOM 7 CA LEU A 7 250.126 233.740 262.916 1.00 0.00 C +ATOM 8 CA PRO A 8 250.314 234.752 259.248 1.00 0.00 C +ATOM 9 CA GLN A 9 252.621 234.871 256.218 1.00 0.00 C +ATOM 10 CA PRO A 10 252.188 236.438 252.772 1.00 0.00 C +ATOM 11 CA ARG A 11 251.742 239.891 251.226 1.00 0.00 C +ATOM 12 CA HIS A 12 250.806 243.544 251.773 1.00 0.00 C +ATOM 13 CA ARG A 13 251.393 247.268 252.319 1.00 0.00 C +ATOM 14 CA GLU A 14 249.902 250.758 251.975 1.00 0.00 C +ATOM 15 CA ARG A 15 250.381 254.414 252.933 1.00 0.00 C +ATOM 16 CA PRO A 16 254.060 255.079 253.665 1.00 0.00 C +ATOM 17 CA GLY A 17 256.727 255.811 251.044 1.00 0.00 C +ATOM 18 CA ALA A 18 260.097 257.515 250.538 1.00 0.00 C +ATOM 19 CA LEU A 19 262.520 258.271 247.697 1.00 0.00 C +ATOM 20 CA CYS A 20 264.392 261.432 246.690 1.00 0.00 C +ATOM 21 CA GLY A 21 263.982 264.936 245.250 1.00 0.00 C +ATOM 22 CA SER A 22 261.864 267.535 247.059 1.00 0.00 C +ATOM 23 CA GLY A 23 263.308 270.934 247.996 1.00 0.00 C +ATOM 24 CA VAL A 24 262.538 273.899 250.261 1.00 0.00 C +ATOM 25 CA PRO A 25 264.099 276.506 252.560 1.00 0.00 C +ATOM 26 CA ALA A 26 261.948 276.698 255.698 1.00 0.00 C +ATOM 27 CA PRO A 27 259.781 276.054 258.765 1.00 0.00 C +ATOM 28 CA ALA A 28 259.266 273.151 261.178 1.00 0.00 C +ATOM 29 CA ALA A 29 256.326 271.634 263.068 1.00 0.00 C +ATOM 30 CA ARG A 30 254.277 268.972 261.270 1.00 0.00 C +ATOM 31 CA HIS A 31 252.835 267.234 258.201 1.00 0.00 C +ATOM 32 CA PRO A 32 249.545 265.745 259.416 1.00 0.00 C +ATOM 33 CA THR A 33 247.386 263.062 257.787 1.00 0.00 C +ATOM 34 CA ALA A 34 248.639 260.732 255.046 1.00 0.00 C +ATOM 35 CA VAL A 35 246.084 259.219 252.659 1.00 0.00 C +ATOM 36 CA PRO A 36 242.301 258.917 252.992 1.00 0.00 C +ATOM 37 CA GLY A 37 240.722 255.459 252.730 1.00 0.00 C +ATOM 38 CA GLY A 38 241.919 252.045 253.926 1.00 0.00 C +ATOM 39 CA GLN A 39 243.822 250.218 256.675 1.00 0.00 C +ATOM 40 CA ASP A 40 241.371 247.719 258.178 1.00 0.00 C +ATOM 41 CA GLN A 41 239.377 245.023 256.367 1.00 0.00 C +ATOM 42 CA PHE A 42 240.172 242.688 253.463 1.00 0.00 C +ATOM 43 CA GLY A 43 243.773 242.870 252.234 1.00 0.00 C +ATOM 44 CA SER A 44 245.743 241.373 249.336 1.00 0.00 C +ATOM 45 CA ALA A 45 245.263 237.931 247.776 1.00 0.00 C +ATOM 46 CA THR A 46 243.635 234.607 246.871 1.00 0.00 C +ATOM 47 CA HIS A 47 242.391 233.148 243.579 1.00 0.00 C +ATOM 48 CA HIS A 48 241.213 236.129 241.520 1.00 0.00 C +ATOM 49 CA GLY A 49 239.934 239.504 240.299 1.00 0.00 C +ATOM 50 CA SER A 50 241.374 241.009 237.109 1.00 0.00 C +ATOM 51 CA ASP A 51 239.579 243.972 235.522 1.00 0.00 C +ATOM 52 CA GLY A 52 241.803 245.069 232.629 1.00 0.00 C +ATOM 53 CA GLN A 53 242.517 243.594 229.190 1.00 0.00 C +ATOM 54 CA THR A 54 246.106 242.322 229.079 1.00 0.00 C +ATOM 55 CA HIS A 55 248.207 244.580 231.316 1.00 0.00 C +ATOM 56 CA THR A 56 251.481 246.525 231.206 1.00 0.00 C +ATOM 57 CA GLY A 57 251.895 248.466 227.954 1.00 0.00 C +ATOM 58 CA PRO A 58 248.867 250.167 226.388 1.00 0.00 C +ATOM 59 CA GLN A 59 245.366 250.780 227.759 1.00 0.00 C +ATOM 60 CA ILE A 60 242.632 248.821 225.969 1.00 0.00 C +ATOM 61 CA ARG A 61 242.325 249.370 222.211 1.00 0.00 C +TER 62 ARG A 61 +END diff --git a/Bacteria/P0A0V6/P0A0V6.dcd b/Bacteria/P0A0V6/P0A0V6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c72b52494845a40801a938870f9ebe9d85cee2f2 --- /dev/null +++ b/Bacteria/P0A0V6/P0A0V6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2c9f20b275ffba801259cea5f060d5c6519a5c84b3437dd1ae4c3b3d47d39e6a +size 8000276 diff --git a/Bacteria/P0A0V6/top.pdb b/Bacteria/P0A0V6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..40e897f40aa6e08896f16eaeda48d5ca0dd8af20 --- /dev/null +++ b/Bacteria/P0A0V6/top.pdb @@ -0,0 +1,64 @@ +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 1 245.230 249.410 249.378 1.00 0.00 C +ATOM 2 CA ALA A 2 248.917 248.838 248.609 1.00 0.00 C +ATOM 3 CA HIS A 3 250.135 245.469 247.313 1.00 0.00 C +ATOM 4 CA HIS A 4 247.448 242.788 246.984 1.00 0.00 C +ATOM 5 CA GLU A 5 245.201 241.753 249.882 1.00 0.00 C +ATOM 6 CA GLU A 6 242.293 239.826 248.352 1.00 0.00 C +ATOM 7 CA GLN A 7 240.350 241.617 245.607 1.00 0.00 C +ATOM 8 CA HIS A 8 238.701 239.322 243.051 1.00 0.00 C +ATOM 9 CA GLY A 9 237.388 239.139 239.479 1.00 0.00 C +ATOM 10 CA GLY A 10 233.942 237.723 238.680 1.00 0.00 C +ATOM 11 CA HIS A 11 230.244 238.639 238.684 1.00 0.00 C +ATOM 12 CA HIS A 12 226.795 237.593 237.449 1.00 0.00 C +ATOM 13 CA HIS A 13 225.469 240.195 235.002 1.00 0.00 C +ATOM 14 CA HIS A 14 223.321 242.761 236.823 1.00 0.00 C +ATOM 15 CA HIS A 15 224.936 245.127 239.335 1.00 0.00 C +ATOM 16 CA HIS A 16 224.451 245.412 243.104 1.00 0.00 C +ATOM 17 CA HIS A 17 227.318 247.495 244.503 1.00 0.00 C +ATOM 18 CA THR A 18 229.209 250.609 243.388 1.00 0.00 C +ATOM 19 CA HIS A 19 232.137 252.995 243.892 1.00 0.00 C +ATOM 20 CA HIS A 20 234.390 251.533 246.594 1.00 0.00 C +ATOM 21 CA HIS A 21 237.219 249.065 247.240 1.00 0.00 C +ATOM 22 CA HIS A 22 240.319 249.417 245.053 1.00 0.00 C +ATOM 23 CA TYR A 23 243.582 250.811 243.665 1.00 0.00 C +ATOM 24 CA HIS A 24 244.843 249.133 240.486 1.00 0.00 C +ATOM 25 CA GLY A 25 246.712 250.902 237.676 1.00 0.00 C +ATOM 26 CA GLY A 26 245.037 251.240 234.270 1.00 0.00 C +ATOM 27 CA GLU A 27 245.027 249.244 231.025 1.00 0.00 C +ATOM 28 CA HIS A 28 248.042 249.399 228.701 1.00 0.00 C +ATOM 29 CA HIS A 29 251.282 251.322 229.272 1.00 0.00 C +ATOM 30 CA HIS A 30 255.033 251.952 229.493 1.00 0.00 C +ATOM 31 CA HIS A 31 258.022 253.682 231.100 1.00 0.00 C +ATOM 32 CA HIS A 32 257.993 254.183 234.877 1.00 0.00 C +ATOM 33 CA HIS A 33 260.887 252.179 236.336 1.00 0.00 C +ATOM 34 CA SER A 34 260.029 250.001 239.342 1.00 0.00 C +ATOM 35 CA SER A 35 258.094 251.279 242.365 1.00 0.00 C +ATOM 36 CA HIS A 36 257.718 251.324 246.156 1.00 0.00 C +ATOM 37 CA HIS A 37 256.965 254.604 247.943 1.00 0.00 C +ATOM 38 CA GLU A 38 253.674 256.471 248.394 1.00 0.00 C +ATOM 39 CA GLU A 39 250.997 258.973 247.352 1.00 0.00 C +ATOM 40 CA GLY A 40 251.230 262.705 248.084 1.00 0.00 C +ATOM 41 CA CYS A 41 252.950 263.359 251.420 1.00 0.00 C +ATOM 42 CA CYS A 42 252.222 266.509 253.436 1.00 0.00 C +ATOM 43 CA SER A 43 253.298 266.006 257.056 1.00 0.00 C +ATOM 44 CA THR A 44 253.338 268.389 260.029 1.00 0.00 C +ATOM 45 CA SER A 45 255.919 267.832 262.775 1.00 0.00 C +ATOM 46 CA ASP A 46 254.594 264.868 264.769 1.00 0.00 C +ATOM 47 CA SER A 47 256.980 262.156 265.981 1.00 0.00 C +ATOM 48 CA HIS A 48 260.494 260.898 266.746 1.00 0.00 C +ATOM 49 CA HIS A 49 262.533 257.691 266.466 1.00 0.00 C +ATOM 50 CA GLN A 50 263.837 254.318 265.267 1.00 0.00 C +ATOM 51 CA GLU A 51 266.991 252.225 265.695 1.00 0.00 C +ATOM 52 CA GLU A 52 267.801 249.384 268.101 1.00 0.00 C +ATOM 53 CA GLY A 53 265.598 247.131 270.243 1.00 0.00 C +ATOM 54 CA CYS A 54 264.417 243.555 270.819 1.00 0.00 C +ATOM 55 CA CYS A 55 265.622 241.933 274.049 1.00 0.00 C +ATOM 56 CA HIS A 56 268.600 239.871 275.230 1.00 0.00 C +ATOM 57 CA GLY A 57 271.177 240.476 277.971 1.00 0.00 C +ATOM 58 CA HIS A 58 274.081 242.497 276.559 1.00 0.00 C +ATOM 59 CA HIS A 59 277.753 242.917 275.630 1.00 0.00 C +ATOM 60 CA GLU A 60 281.214 241.857 276.818 1.00 0.00 C +TER 61 GLU A 60 +END diff --git a/Bacteria/P0A5D0/P0A5D0.dcd b/Bacteria/P0A5D0/P0A5D0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a34f788a28acec8335aa88331c1dc6cfe7e1abf2 --- /dev/null +++ b/Bacteria/P0A5D0/P0A5D0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:acc84517156e37712ae8fca33a311cdde209b594aa360d83f9953b2eded1c114 +size 4760276 diff --git a/Bacteria/P0A5D0/top.pdb b/Bacteria/P0A5D0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d96e205f7cb8d66b1e57b392aebaf393343a3cb6 --- /dev/null +++ b/Bacteria/P0A5D0/top.pdb @@ -0,0 +1,37 @@ +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 1 237.312 226.807 242.813 1.00 0.00 C +ATOM 2 CA GLY A 2 237.264 229.001 245.928 1.00 0.00 C +ATOM 3 CA SER A 3 239.131 230.080 249.069 1.00 0.00 C +ATOM 4 CA VAL A 4 240.218 233.574 250.129 1.00 0.00 C +ATOM 5 CA ILE A 5 242.923 235.732 248.534 1.00 0.00 C +ATOM 6 CA LYS A 6 244.461 239.214 248.382 1.00 0.00 C +ATOM 7 CA LYS A 7 248.180 239.907 248.840 1.00 0.00 C +ATOM 8 CA ARG A 8 249.625 242.622 246.592 1.00 0.00 C +ATOM 9 CA ARG A 9 249.832 244.880 243.530 1.00 0.00 C +ATOM 10 CA LYS A 10 251.677 245.526 240.259 1.00 0.00 C +ATOM 11 CA ARG A 11 252.521 243.345 237.251 1.00 0.00 C +ATOM 12 CA MET A 12 254.145 244.950 234.202 1.00 0.00 C +ATOM 13 CA SER A 13 255.078 247.652 231.683 1.00 0.00 C +ATOM 14 CA LYS A 14 255.754 251.401 231.741 1.00 0.00 C +ATOM 15 CA LYS A 15 253.331 254.230 232.546 1.00 0.00 C +ATOM 16 CA LYS A 16 250.904 255.363 235.256 1.00 0.00 C +ATOM 17 CA HIS A 17 249.864 255.312 238.921 1.00 0.00 C +ATOM 18 CA ARG A 18 250.145 253.225 242.096 1.00 0.00 C +ATOM 19 CA LYS A 19 250.232 253.149 245.904 1.00 0.00 C +ATOM 20 CA LEU A 20 251.084 255.930 248.365 1.00 0.00 C +ATOM 21 CA LEU A 21 253.114 254.784 251.378 1.00 0.00 C +ATOM 22 CA ARG A 22 255.069 255.065 254.636 1.00 0.00 C +ATOM 23 CA ARG A 23 254.219 253.455 257.984 1.00 0.00 C +ATOM 24 CA THR A 24 254.455 253.329 261.784 1.00 0.00 C +ATOM 25 CA ARG A 25 254.483 251.983 265.348 1.00 0.00 C +ATOM 26 CA VAL A 26 253.807 254.066 268.466 1.00 0.00 C +ATOM 27 CA GLN A 27 255.477 257.477 268.765 1.00 0.00 C +ATOM 28 CA ARG A 28 254.886 261.086 267.697 1.00 0.00 C +ATOM 29 CA ARG A 29 253.213 261.841 264.358 1.00 0.00 C +ATOM 30 CA LYS A 30 249.717 261.923 262.845 1.00 0.00 C +ATOM 31 CA LEU A 31 250.004 264.377 259.946 1.00 0.00 C +ATOM 32 CA GLY A 32 248.903 267.721 261.403 1.00 0.00 C +ATOM 33 CA LYS A 33 248.973 270.994 263.352 1.00 0.00 C +TER 34 LYS A 33 +END diff --git a/Bacteria/P0ADF3/P0ADF3.dcd b/Bacteria/P0ADF3/P0ADF3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..048b3908e9c2f07842fd3504ee4b7abfaa43e9ed --- /dev/null +++ b/Bacteria/P0ADF3/P0ADF3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9a536dd9fda39a007f720e97c6a9021f1a68d753c2dcdaef64682a71b9ebc760 +size 4760276 diff --git a/Bacteria/P0ADF3/top.pdb b/Bacteria/P0ADF3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..14e03f6221baa9de5db0c1a680c5b0b5a2e8a0fc --- /dev/null +++ b/Bacteria/P0ADF3/top.pdb @@ -0,0 +1,37 @@ +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 1 227.406 275.371 255.752 1.00 0.00 C +ATOM 2 CA ARG A 2 229.731 275.355 252.734 1.00 0.00 C +ATOM 3 CA SER A 3 233.323 275.631 251.494 1.00 0.00 C +ATOM 4 CA GLU A 4 235.745 272.797 250.707 1.00 0.00 C +ATOM 5 CA GLN A 5 239.318 272.483 251.994 1.00 0.00 C +ATOM 6 CA ILE A 6 242.265 270.413 253.237 1.00 0.00 C +ATOM 7 CA SER A 7 244.362 267.420 252.160 1.00 0.00 C +ATOM 8 CA GLY A 8 245.565 264.013 250.952 1.00 0.00 C +ATOM 9 CA SER A 9 245.062 260.247 250.666 1.00 0.00 C +ATOM 10 CA SER A 10 248.098 257.998 251.160 1.00 0.00 C +ATOM 11 CA LEU A 11 251.681 257.533 252.367 1.00 0.00 C +ATOM 12 CA ASN A 12 254.446 255.262 253.677 1.00 0.00 C +ATOM 13 CA PRO A 13 256.600 253.888 250.851 1.00 0.00 C +ATOM 14 CA SER A 14 259.826 251.861 250.869 1.00 0.00 C +ATOM 15 CA CYS A 15 262.434 250.506 248.445 1.00 0.00 C +ATOM 16 CA ARG A 16 266.131 250.206 249.316 1.00 0.00 C +ATOM 17 CA PHE A 17 268.788 248.001 250.927 1.00 0.00 C +ATOM 18 CA SER A 18 268.225 244.307 250.181 1.00 0.00 C +ATOM 19 CA SER A 19 267.498 243.245 246.595 1.00 0.00 C +ATOM 20 CA ALA A 20 264.503 244.271 244.476 1.00 0.00 C +ATOM 21 CA TYR A 21 260.909 243.109 244.974 1.00 0.00 C +ATOM 22 CA SER A 22 260.190 240.391 242.403 1.00 0.00 C +ATOM 23 CA PRO A 23 256.984 241.094 240.469 1.00 0.00 C +ATOM 24 CA VAL A 24 254.152 240.509 242.949 1.00 0.00 C +ATOM 25 CA THR A 25 252.303 240.696 246.276 1.00 0.00 C +ATOM 26 CA ARG A 26 251.751 240.311 250.026 1.00 0.00 C +ATOM 27 CA GLN A 27 250.042 237.024 250.913 1.00 0.00 C +ATOM 28 CA ARG A 28 246.738 236.222 252.632 1.00 0.00 C +ATOM 29 CA LYS A 29 243.426 234.359 252.914 1.00 0.00 C +ATOM 30 CA ASP A 30 243.375 230.575 252.470 1.00 0.00 C +ATOM 31 CA MET A 31 240.214 228.489 252.057 1.00 0.00 C +ATOM 32 CA SER A 32 239.820 224.758 252.720 1.00 0.00 C +ATOM 33 CA ARG A 33 239.088 221.654 250.634 1.00 0.00 C +TER 34 ARG A 33 +END diff --git a/Bacteria/P0DSF3/P0DSF3.dcd b/Bacteria/P0DSF3/P0DSF3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..ce4b86423e07cdf6771e51f2405d0f13a145a6c4 --- /dev/null +++ b/Bacteria/P0DSF3/P0DSF3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a1cf789595292db7a5f78e6a1e37a49d256bb45632f1ed48098b1a63f654c20e +size 4880276 diff --git a/Bacteria/P0DSF3/top.pdb b/Bacteria/P0DSF3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..fb8b83f775343a6d24fc87d4bbcfad0c3c8ba40a --- /dev/null +++ b/Bacteria/P0DSF3/top.pdb @@ -0,0 +1,38 @@ +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 1 237.878 272.539 249.940 1.00 0.00 C +ATOM 2 CA ASN A 2 237.085 272.610 253.666 1.00 0.00 C +ATOM 3 CA GLY A 3 237.434 269.266 255.458 1.00 0.00 C +ATOM 4 CA ASP A 4 237.082 266.385 257.926 1.00 0.00 C +ATOM 5 CA ASN A 5 239.014 264.540 260.643 1.00 0.00 C +ATOM 6 CA PRO A 6 242.026 262.483 261.745 1.00 0.00 C +ATOM 7 CA SER A 7 245.746 262.603 260.934 1.00 0.00 C +ATOM 8 CA PRO A 8 248.049 262.236 257.921 1.00 0.00 C +ATOM 9 CA ASN A 9 250.717 259.672 257.013 1.00 0.00 C +ATOM 10 CA ARG A 10 252.773 258.722 253.949 1.00 0.00 C +ATOM 11 CA PRO A 11 255.466 256.103 253.307 1.00 0.00 C +ATOM 12 CA LEU A 12 257.563 253.693 255.382 1.00 0.00 C +ATOM 13 CA VAL A 13 258.651 250.471 253.662 1.00 0.00 C +ATOM 14 CA THR A 14 259.567 247.178 255.345 1.00 0.00 C +ATOM 15 CA VAL A 15 261.115 244.034 253.850 1.00 0.00 C +ATOM 16 CA VAL A 16 260.507 240.329 254.499 1.00 0.00 C +ATOM 17 CA TYR A 17 262.345 237.003 254.234 1.00 0.00 C +ATOM 18 CA LYS A 18 264.649 236.437 251.252 1.00 0.00 C +ATOM 19 CA GLY A 19 264.949 238.787 248.268 1.00 0.00 C +ATOM 20 CA PRO A 20 263.002 238.428 245.013 1.00 0.00 C +ATOM 21 CA ASP A 21 260.414 241.225 244.981 1.00 0.00 C +ATOM 22 CA PHE A 22 257.286 240.637 247.075 1.00 0.00 C +ATOM 23 CA TYR A 23 254.794 238.307 248.771 1.00 0.00 C +ATOM 24 CA ASP A 24 252.202 239.715 251.183 1.00 0.00 C +ATOM 25 CA GLY A 25 248.514 240.456 250.576 1.00 0.00 C +ATOM 26 CA GLU A 26 248.533 243.539 248.338 1.00 0.00 C +ATOM 27 CA LYS A 27 247.305 244.243 244.801 1.00 0.00 C +ATOM 28 CA LYS A 28 243.519 243.887 244.561 1.00 0.00 C +ATOM 29 CA PRO A 29 240.976 241.978 242.464 1.00 0.00 C +ATOM 30 CA PRO A 30 238.725 244.273 240.418 1.00 0.00 C +ATOM 31 CA VAL A 31 238.936 246.973 237.738 1.00 0.00 C +ATOM 32 CA ASN A 32 241.786 249.206 236.552 1.00 0.00 C +ATOM 33 CA ARG A 33 244.468 247.461 234.485 1.00 0.00 C +ATOM 34 CA ARG A 34 246.926 244.582 234.048 1.00 0.00 C +TER 35 ARG A 34 +END diff --git a/Bacteria/P21153/P21153.dcd b/Bacteria/P21153/P21153.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f6a1948f8f2db59a8fb447270478715fb58a8d24 --- /dev/null +++ b/Bacteria/P21153/P21153.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a7cfa35f719e5662f860635d99f76d1d5d478ee11c35a296ddb4b86be7eddbf7 +size 6200276 diff --git a/Bacteria/P21153/top.pdb b/Bacteria/P21153/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..cf6dea971a34981b830114fad93ba2b39150f0f7 --- /dev/null +++ b/Bacteria/P21153/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 1 252.693 263.494 237.173 1.00 0.00 C +ATOM 2 CA THR A 2 250.770 266.399 238.717 1.00 0.00 C +ATOM 3 CA LYS A 3 248.496 267.945 241.355 1.00 0.00 C +ATOM 4 CA ARG A 4 246.510 267.802 244.603 1.00 0.00 C +ATOM 5 CA THR A 5 242.769 268.209 245.197 1.00 0.00 C +ATOM 6 CA PHE A 6 239.801 265.828 245.395 1.00 0.00 C +ATOM 7 CA GLN A 7 237.796 265.992 242.159 1.00 0.00 C +ATOM 8 CA PRO A 8 234.023 265.950 242.687 1.00 0.00 C +ATOM 9 CA ASN A 9 233.429 267.583 246.078 1.00 0.00 C +ATOM 10 CA ASN A 10 231.251 267.335 249.194 1.00 0.00 C +ATOM 11 CA ARG A 11 228.110 265.845 250.754 1.00 0.00 C +ATOM 12 CA ARG A 12 227.165 267.007 254.257 1.00 0.00 C +ATOM 13 CA ARG A 13 226.594 263.769 256.182 1.00 0.00 C +ATOM 14 CA ALA A 14 224.318 261.380 258.088 1.00 0.00 C +ATOM 15 CA ARG A 15 225.365 257.924 256.875 1.00 0.00 C +ATOM 16 CA LYS A 16 228.506 255.802 257.263 1.00 0.00 C +ATOM 17 CA HIS A 17 231.814 256.643 258.957 1.00 0.00 C +ATOM 18 CA GLY A 18 235.465 257.597 259.477 1.00 0.00 C +ATOM 19 CA PHE A 19 238.135 259.535 261.383 1.00 0.00 C +ATOM 20 CA ARG A 20 241.811 258.624 260.972 1.00 0.00 C +ATOM 21 CA ALA A 21 242.027 254.965 259.932 1.00 0.00 C +ATOM 22 CA ARG A 22 242.452 252.502 257.056 1.00 0.00 C +ATOM 23 CA MET A 23 243.152 248.966 258.289 1.00 0.00 C +ATOM 24 CA ARG A 24 244.882 245.951 256.730 1.00 0.00 C +ATOM 25 CA THR A 25 247.851 243.989 255.369 1.00 0.00 C +ATOM 26 CA ARG A 26 247.434 240.499 253.898 1.00 0.00 C +ATOM 27 CA ALA A 27 247.529 239.505 250.221 1.00 0.00 C +ATOM 28 CA GLY A 28 250.642 240.623 248.330 1.00 0.00 C +ATOM 29 CA ARG A 29 253.580 239.063 250.188 1.00 0.00 C +ATOM 30 CA ALA A 30 256.018 241.536 251.754 1.00 0.00 C +ATOM 31 CA ILE A 31 258.505 242.878 249.198 1.00 0.00 C +ATOM 32 CA LEU A 32 261.983 244.029 250.245 1.00 0.00 C +ATOM 33 CA SER A 33 264.615 243.578 247.527 1.00 0.00 C +ATOM 34 CA ALA A 34 265.588 239.894 247.502 1.00 0.00 C +ATOM 35 CA ARG A 35 267.674 236.792 246.765 1.00 0.00 C +ATOM 36 CA ARG A 36 269.597 235.458 249.771 1.00 0.00 C +ATOM 37 CA GLY A 37 273.116 236.915 249.858 1.00 0.00 C +ATOM 38 CA LYS A 38 275.906 239.083 248.432 1.00 0.00 C +ATOM 39 CA ASN A 39 278.840 237.946 246.283 1.00 0.00 C +ATOM 40 CA ARG A 40 277.556 235.515 243.646 1.00 0.00 C +ATOM 41 CA ALA A 41 276.170 232.317 242.107 1.00 0.00 C +ATOM 42 CA GLU A 42 272.776 230.993 243.223 1.00 0.00 C +ATOM 43 CA LEU A 43 269.979 228.427 243.546 1.00 0.00 C +ATOM 44 CA SER A 44 268.667 225.635 245.782 1.00 0.00 C +ATOM 45 CA ALA A 45 268.640 222.277 247.582 1.00 0.00 C +TER 46 ALA A 45 +END diff --git a/Bacteria/P22399/P22399.dcd b/Bacteria/P22399/P22399.dcd new file mode 100644 index 0000000000000000000000000000000000000000..645a7a68c590478a022f2655ec11eaee27525cd2 --- /dev/null +++ b/Bacteria/P22399/P22399.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8ddbfb075880c470281a62cef8b84e007d0ff1961433626712961873eef3d071 +size 11000276 diff --git a/Bacteria/P22399/top.pdb b/Bacteria/P22399/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b523b94b6ca39ca9653efc6fc8622c3199f8c7d5 --- /dev/null +++ b/Bacteria/P22399/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 1 285.093 228.815 259.450 1.00 0.00 C +ATOM 2 CA ARG A 2 288.126 227.662 257.453 1.00 0.00 C +ATOM 3 CA TRP A 3 290.673 226.032 259.771 1.00 0.00 C +ATOM 4 CA ARG A 4 293.875 227.528 261.193 1.00 0.00 C +ATOM 5 CA PRO A 5 297.013 226.386 263.028 1.00 0.00 C +ATOM 6 CA SER A 6 297.463 225.221 266.628 1.00 0.00 C +ATOM 7 CA SER A 7 294.295 225.253 268.744 1.00 0.00 C +ATOM 8 CA TRP A 8 291.217 226.491 270.618 1.00 0.00 C +ATOM 9 CA SER A 9 288.363 228.507 269.100 1.00 0.00 C +ATOM 10 CA ALA A 10 285.768 230.392 271.158 1.00 0.00 C +ATOM 11 CA VAL A 11 282.852 228.658 272.892 1.00 0.00 C +ATOM 12 CA ARG A 12 280.742 225.499 273.179 1.00 0.00 C +ATOM 13 CA LEU A 13 277.180 226.251 272.056 1.00 0.00 C +ATOM 14 CA ARG A 14 274.137 223.977 271.757 1.00 0.00 C +ATOM 15 CA ARG A 15 270.471 224.968 271.456 1.00 0.00 C +ATOM 16 CA GLY A 16 269.896 228.290 273.232 1.00 0.00 C +ATOM 17 CA ARG A 17 272.735 228.647 275.747 1.00 0.00 C +ATOM 18 CA SER A 18 271.318 227.783 279.176 1.00 0.00 C +ATOM 19 CA SER A 19 267.885 227.393 280.783 1.00 0.00 C +ATOM 20 CA GLY A 20 268.144 228.661 284.366 1.00 0.00 C +ATOM 21 CA CYS A 21 266.259 227.752 287.550 1.00 0.00 C +ATOM 22 CA PRO A 22 262.955 229.626 287.840 1.00 0.00 C +ATOM 23 CA ILE A 23 261.400 232.253 285.560 1.00 0.00 C +ATOM 24 CA VAL A 24 259.621 233.186 282.322 1.00 0.00 C +ATOM 25 CA VAL A 25 261.109 236.284 280.677 1.00 0.00 C +ATOM 26 CA GLY A 26 260.759 238.420 277.542 1.00 0.00 C +ATOM 27 CA LYS A 27 257.692 240.333 276.337 1.00 0.00 C +ATOM 28 CA MET A 28 254.586 240.327 274.130 1.00 0.00 C +ATOM 29 CA PRO A 29 253.288 238.206 271.244 1.00 0.00 C +ATOM 30 CA ALA A 30 250.495 238.144 268.653 1.00 0.00 C +ATOM 31 CA GLU A 31 246.727 237.636 268.900 1.00 0.00 C +ATOM 32 CA PRO A 32 243.140 238.126 267.714 1.00 0.00 C +ATOM 33 CA ALA A 33 240.869 240.128 265.400 1.00 0.00 C +ATOM 34 CA ASP A 34 240.341 242.209 262.253 1.00 0.00 C +ATOM 35 CA LEU A 35 241.687 242.321 258.690 1.00 0.00 C +ATOM 36 CA ASP A 36 239.464 241.015 255.885 1.00 0.00 C +ATOM 37 CA ARG A 37 238.663 237.348 255.231 1.00 0.00 C +ATOM 38 CA ASP A 38 237.312 235.121 252.451 1.00 0.00 C +ATOM 39 CA GLY A 39 233.905 233.713 251.489 1.00 0.00 C +ATOM 40 CA TYR A 40 231.105 235.139 249.335 1.00 0.00 C +ATOM 41 CA PRO A 41 230.112 238.727 250.144 1.00 0.00 C +ATOM 42 CA ALA A 42 229.883 239.386 253.889 1.00 0.00 C +ATOM 43 CA GLY A 43 231.607 242.019 256.036 1.00 0.00 C +ATOM 44 CA ARG A 44 229.330 244.564 257.724 1.00 0.00 C +ATOM 45 CA GLY A 45 228.691 246.497 260.945 1.00 0.00 C +ATOM 46 CA ARG A 46 227.946 250.032 262.157 1.00 0.00 C +ATOM 47 CA ALA A 47 229.826 252.743 260.252 1.00 0.00 C +ATOM 48 CA SER A 48 232.577 253.119 257.643 1.00 0.00 C +ATOM 49 CA VAL A 49 235.443 255.040 256.027 1.00 0.00 C +ATOM 50 CA GLU A 50 237.939 254.656 253.174 1.00 0.00 C +ATOM 51 CA GLY A 51 240.917 256.975 253.691 1.00 0.00 C +ATOM 52 CA GLU A 52 244.384 258.186 252.676 1.00 0.00 C +ATOM 53 CA GLY A 53 246.751 260.519 250.812 1.00 0.00 C +ATOM 54 CA GLY A 54 248.388 263.087 248.522 1.00 0.00 C +ATOM 55 CA ARG A 55 247.641 266.040 246.235 1.00 0.00 C +ATOM 56 CA HIS A 56 247.268 268.243 243.148 1.00 0.00 C +ATOM 57 CA ALA A 57 247.227 271.126 240.658 1.00 0.00 C +ATOM 58 CA ASP A 58 244.637 271.879 237.967 1.00 0.00 C +ATOM 59 CA ARG A 59 241.086 270.692 238.674 1.00 0.00 C +ATOM 60 CA HIS A 60 239.073 269.623 235.621 1.00 0.00 C +ATOM 61 CA GLY A 61 237.707 272.428 233.434 1.00 0.00 C +ATOM 62 CA GLY A 62 234.389 273.120 231.694 1.00 0.00 C +ATOM 63 CA PRO A 63 234.368 274.167 228.031 1.00 0.00 C +ATOM 64 CA GLN A 64 238.006 274.403 226.925 1.00 0.00 C +ATOM 65 CA ALA A 65 241.089 272.228 227.454 1.00 0.00 C +ATOM 66 CA GLN A 66 240.738 269.077 225.342 1.00 0.00 C +ATOM 67 CA GLU A 67 237.735 267.514 223.594 1.00 0.00 C +ATOM 68 CA LEU A 68 236.592 263.996 222.682 1.00 0.00 C +ATOM 69 CA PRO A 69 235.219 264.046 219.128 1.00 0.00 C +ATOM 70 CA HIS A 70 235.623 264.908 215.439 1.00 0.00 C +ATOM 71 CA ASP A 71 236.901 268.452 214.868 1.00 0.00 C +ATOM 72 CA GLN A 72 237.804 270.468 217.972 1.00 0.00 C +ATOM 73 CA ARG A 73 241.435 271.359 218.706 1.00 0.00 C +ATOM 74 CA PRO A 74 242.966 272.606 215.448 1.00 0.00 C +ATOM 75 CA ALA A 75 241.298 273.330 212.100 1.00 0.00 C +ATOM 76 CA ASP A 76 238.246 272.315 210.058 1.00 0.00 C +ATOM 77 CA GLN A 77 234.575 272.723 209.125 1.00 0.00 C +ATOM 78 CA GLU A 78 231.928 273.396 211.781 1.00 0.00 C +ATOM 79 CA GLN A 79 228.243 274.011 212.532 1.00 0.00 C +ATOM 80 CA CYS A 80 227.600 277.504 211.153 1.00 0.00 C +ATOM 81 CA GLY A 81 225.601 279.774 208.836 1.00 0.00 C +ATOM 82 CA GLN A 82 226.206 283.350 210.005 1.00 0.00 C +ATOM 83 CA HIS A 83 223.602 283.942 212.721 1.00 0.00 C +ATOM 84 CA CYS A 84 225.095 282.955 216.085 1.00 0.00 C +ATOM 85 CA ARG A 85 227.685 285.076 217.902 1.00 0.00 C +TER 86 ARG A 85 +END diff --git a/Bacteria/P35142/P35142.dcd b/Bacteria/P35142/P35142.dcd new file mode 100644 index 0000000000000000000000000000000000000000..78854c7a6da1cd5a257e97d47809e586e94c559e --- /dev/null +++ b/Bacteria/P35142/P35142.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fe3ec9e232a9e1b1dcfc1c022f9b6820184b75744d4fc341d212c7b350d800b5 +size 7280276 diff --git a/Bacteria/P35142/top.pdb b/Bacteria/P35142/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9f904ed2976fea4cbf34c23cea4ae44ddd78e939 --- /dev/null +++ b/Bacteria/P35142/top.pdb @@ -0,0 +1,58 @@ +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 1 229.138 254.055 247.371 1.00 0.00 C +ATOM 2 CA ALA A 2 228.961 256.388 244.365 1.00 0.00 C +ATOM 3 CA LYS A 3 229.999 259.757 242.919 1.00 0.00 C +ATOM 4 CA LYS A 4 227.401 262.242 244.181 1.00 0.00 C +ATOM 5 CA ASN A 5 223.631 262.017 244.684 1.00 0.00 C +ATOM 6 CA ARG A 6 222.492 258.449 243.988 1.00 0.00 C +ATOM 7 CA ASN A 7 223.546 257.555 240.438 1.00 0.00 C +ATOM 8 CA LYS A 8 222.589 253.933 239.743 1.00 0.00 C +ATOM 9 CA GLN A 9 223.204 250.779 241.791 1.00 0.00 C +ATOM 10 CA GLN A 10 223.084 247.067 242.643 1.00 0.00 C +ATOM 11 CA GLN A 11 221.138 243.851 242.024 1.00 0.00 C +ATOM 12 CA GLU A 12 222.926 241.099 240.088 1.00 0.00 C +ATOM 13 CA MET A 13 222.116 237.493 241.016 1.00 0.00 C +ATOM 14 CA GLN A 14 224.304 235.155 238.952 1.00 0.00 C +ATOM 15 CA GLN A 15 227.265 234.843 236.574 1.00 0.00 C +ATOM 16 CA GLN A 16 230.073 232.287 236.260 1.00 0.00 C +ATOM 17 CA GLN A 17 230.362 229.480 238.820 1.00 0.00 C +ATOM 18 CA GLN A 18 232.052 227.915 241.855 1.00 0.00 C +ATOM 19 CA GLN A 19 234.721 228.615 244.482 1.00 0.00 C +ATOM 20 CA HIS A 20 236.777 231.061 246.558 1.00 0.00 C +ATOM 21 CA GLN A 21 239.309 233.886 246.212 1.00 0.00 C +ATOM 22 CA ALA A 22 239.698 237.523 247.277 1.00 0.00 C +ATOM 23 CA GLU A 23 240.502 240.079 249.987 1.00 0.00 C +ATOM 24 CA PHE A 24 241.471 242.859 252.404 1.00 0.00 C +ATOM 25 CA ALA A 25 242.254 242.112 256.057 1.00 0.00 C +ATOM 26 CA ASN A 26 245.593 240.330 256.490 1.00 0.00 C +ATOM 27 CA GLU A 27 248.152 242.097 254.289 1.00 0.00 C +ATOM 28 CA PHE A 28 251.959 241.954 254.258 1.00 0.00 C +ATOM 29 CA ALA A 29 255.281 243.628 253.433 1.00 0.00 C +ATOM 30 CA GLU A 30 258.002 245.096 251.208 1.00 0.00 C +ATOM 31 CA GLY A 31 261.622 243.952 251.535 1.00 0.00 C +ATOM 32 CA SER A 32 264.689 244.805 249.443 1.00 0.00 C +ATOM 33 CA SER A 33 266.465 247.700 247.714 1.00 0.00 C +ATOM 34 CA ALA A 34 268.743 250.137 249.554 1.00 0.00 C +ATOM 35 CA GLU A 35 272.546 250.124 249.320 1.00 0.00 C +ATOM 36 CA GLN A 36 274.945 248.511 246.838 1.00 0.00 C +ATOM 37 CA ALA A 37 278.369 247.982 245.252 1.00 0.00 C +ATOM 38 CA ARG A 38 281.442 247.336 247.409 1.00 0.00 C +ATOM 39 CA GLN A 39 282.309 249.630 250.325 1.00 0.00 C +ATOM 40 CA GLN A 40 280.730 251.621 253.164 1.00 0.00 C +ATOM 41 CA GLN A 41 279.148 255.083 253.000 1.00 0.00 C +ATOM 42 CA GLN A 42 275.769 255.579 254.689 1.00 0.00 C +ATOM 43 CA LYS A 43 272.106 255.582 253.641 1.00 0.00 C +ATOM 44 CA ALA A 44 270.919 259.017 252.499 1.00 0.00 C +ATOM 45 CA ALA A 45 272.359 262.039 254.319 1.00 0.00 C +ATOM 46 CA GLY A 46 272.091 263.234 257.927 1.00 0.00 C +ATOM 47 CA LYS A 47 271.740 266.005 260.518 1.00 0.00 C +ATOM 48 CA ARG A 48 269.911 265.362 263.798 1.00 0.00 C +ATOM 49 CA GLN A 49 269.004 265.868 267.464 1.00 0.00 C +ATOM 50 CA LYS A 50 266.092 267.220 269.514 1.00 0.00 C +ATOM 51 CA LYS A 51 263.019 269.469 269.634 1.00 0.00 C +ATOM 52 CA ASN A 52 263.590 272.298 267.148 1.00 0.00 C +ATOM 53 CA GLN A 53 262.640 272.358 263.459 1.00 0.00 C +ATOM 54 CA GLN A 54 261.752 275.482 261.467 1.00 0.00 C +TER 55 GLN A 54 +END diff --git a/Bacteria/P45647/P45647.dcd b/Bacteria/P45647/P45647.dcd new file mode 100644 index 0000000000000000000000000000000000000000..9324196785997a3662ef12b8d244cd17b27f0329 --- /dev/null +++ b/Bacteria/P45647/P45647.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:09a5cdf9b07a845c6fbe47839023a5066d6c5c90965ac0cc553560fa255ec192 +size 6080276 diff --git a/Bacteria/P45647/top.pdb b/Bacteria/P45647/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a1005f0448b560bbf9b54316f0c6abfc7c80d91e --- /dev/null +++ b/Bacteria/P45647/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 MET A 1 235.893 258.942 270.112 1.00 0.00 C +ATOM 2 CA LYS A 2 236.699 262.171 268.257 1.00 0.00 C +ATOM 3 CA ARG A 3 236.472 264.130 264.998 1.00 0.00 C +ATOM 4 CA THR A 4 239.803 263.510 263.257 1.00 0.00 C +ATOM 5 CA TYR A 5 241.539 263.707 259.871 1.00 0.00 C +ATOM 6 CA GLN A 6 243.000 262.050 256.767 1.00 0.00 C +ATOM 7 CA PRO A 7 241.873 258.758 255.214 1.00 0.00 C +ATOM 8 CA SER A 8 242.120 255.695 257.465 1.00 0.00 C +ATOM 9 CA LYS A 9 242.884 252.775 259.790 1.00 0.00 C +ATOM 10 CA GLN A 10 246.244 251.451 261.003 1.00 0.00 C +ATOM 11 CA LYS A 11 246.766 247.677 261.018 1.00 0.00 C +ATOM 12 CA ARG A 12 244.978 245.500 258.453 1.00 0.00 C +ATOM 13 CA ASN A 13 242.298 243.663 260.443 1.00 0.00 C +ATOM 14 CA ARG A 14 243.774 242.814 263.852 1.00 0.00 C +ATOM 15 CA THR A 15 247.465 242.959 264.782 1.00 0.00 C +ATOM 16 CA HIS A 16 248.924 239.530 265.575 1.00 0.00 C +ATOM 17 CA GLY A 17 251.809 239.346 268.056 1.00 0.00 C +ATOM 18 CA PHE A 18 253.784 242.474 268.968 1.00 0.00 C +ATOM 19 CA ARG A 19 253.913 245.104 266.214 1.00 0.00 C +ATOM 20 CA ALA A 20 252.953 244.534 262.571 1.00 0.00 C +ATOM 21 CA ARG A 21 254.781 244.245 259.241 1.00 0.00 C +ATOM 22 CA MET A 22 252.809 243.606 256.045 1.00 0.00 C +ATOM 23 CA ALA A 23 253.274 242.113 252.570 1.00 0.00 C +ATOM 24 CA THR A 24 253.012 242.954 248.863 1.00 0.00 C +ATOM 25 CA LYS A 25 252.150 243.498 245.192 1.00 0.00 C +ATOM 26 CA ASN A 26 253.269 245.413 242.094 1.00 0.00 C +ATOM 27 CA GLY A 27 250.442 245.533 239.543 1.00 0.00 C +ATOM 28 CA ARG A 28 248.047 246.275 236.673 1.00 0.00 C +ATOM 29 CA GLN A 29 244.240 246.377 236.594 1.00 0.00 C +ATOM 30 CA VAL A 30 241.912 244.938 233.943 1.00 0.00 C +ATOM 31 CA LEU A 31 240.976 243.245 230.661 1.00 0.00 C +ATOM 32 CA ASN A 32 243.869 244.040 228.313 1.00 0.00 C +ATOM 33 CA ARG A 33 246.674 246.558 228.869 1.00 0.00 C +ATOM 34 CA ARG A 34 249.322 248.939 230.223 1.00 0.00 C +ATOM 35 CA ARG A 35 252.376 249.069 232.496 1.00 0.00 C +ATOM 36 CA ALA A 36 255.798 247.813 233.605 1.00 0.00 C +ATOM 37 CA LYS A 37 258.602 248.593 236.064 1.00 0.00 C +ATOM 38 CA GLY A 38 259.699 251.971 237.443 1.00 0.00 C +ATOM 39 CA ARG A 39 259.996 254.195 240.523 1.00 0.00 C +ATOM 40 CA LYS A 40 262.974 255.851 242.228 1.00 0.00 C +ATOM 41 CA ARG A 41 266.376 256.670 240.720 1.00 0.00 C +ATOM 42 CA LEU A 42 265.791 259.480 238.216 1.00 0.00 C +ATOM 43 CA THR A 43 268.858 259.736 235.970 1.00 0.00 C +ATOM 44 CA VAL A 44 271.563 262.095 237.247 1.00 0.00 C +TER 45 VAL A 44 +END diff --git a/Bacteria/P46916/P46916.dcd b/Bacteria/P46916/P46916.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8111768b90639122df4b0b1d149ddd30a8adfcd0 --- /dev/null +++ b/Bacteria/P46916/P46916.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8d9a9192a149fbed39857ba477fc8fcfec178c185574c23e58dafaea56b30f50 +size 17960276 diff --git a/Bacteria/P46916/top.pdb b/Bacteria/P46916/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9c9187afea3a40f42fc9f02ea6f6e1a95f17ebc0 --- /dev/null +++ b/Bacteria/P46916/top.pdb @@ -0,0 +1,147 @@ +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 1 288.376 268.534 286.703 1.00 0.00 C +ATOM 2 CA ARG A 2 291.780 270.244 286.629 1.00 0.00 C +ATOM 3 CA SER A 3 292.906 270.418 290.265 1.00 0.00 C +ATOM 4 CA SER A 4 289.939 269.513 292.477 1.00 0.00 C +ATOM 5 CA ARG A 5 287.903 266.500 293.614 1.00 0.00 C +ATOM 6 CA GLN A 6 286.926 264.002 290.908 1.00 0.00 C +ATOM 7 CA LYS A 7 288.159 260.715 289.426 1.00 0.00 C +ATOM 8 CA ALA A 8 287.212 258.417 286.539 1.00 0.00 C +ATOM 9 CA SER A 9 289.295 256.200 284.245 1.00 0.00 C +ATOM 10 CA ILE A 10 287.193 255.417 281.166 1.00 0.00 C +ATOM 11 CA SER A 11 287.763 257.244 277.871 1.00 0.00 C +ATOM 12 CA LYS A 12 288.446 257.770 274.160 1.00 0.00 C +ATOM 13 CA LEU A 13 291.715 259.669 273.692 1.00 0.00 C +ATOM 14 CA ASP A 14 293.247 260.145 270.236 1.00 0.00 C +ATOM 15 CA LEU A 15 291.318 258.003 267.744 1.00 0.00 C +ATOM 16 CA ASP A 16 289.249 255.993 265.255 1.00 0.00 C +ATOM 17 CA GLN A 17 285.585 255.520 266.188 1.00 0.00 C +ATOM 18 CA PHE A 18 282.435 255.772 268.316 1.00 0.00 C +ATOM 19 CA VAL A 19 281.231 254.722 271.775 1.00 0.00 C +ATOM 20 CA PHE A 20 280.028 251.115 271.524 1.00 0.00 C +ATOM 21 CA THR A 21 280.237 248.412 268.848 1.00 0.00 C +ATOM 22 CA PRO A 22 276.808 247.198 267.716 1.00 0.00 C +ATOM 23 CA PRO A 23 273.846 245.221 269.069 1.00 0.00 C +ATOM 24 CA GLY A 24 270.367 244.804 270.566 1.00 0.00 C +ATOM 25 CA PRO A 25 267.787 246.612 268.423 1.00 0.00 C +ATOM 26 CA MET A 26 265.938 248.582 265.736 1.00 0.00 C +ATOM 27 CA GLY A 27 266.547 250.921 262.791 1.00 0.00 C +ATOM 28 CA TRP A 28 267.062 254.148 260.832 1.00 0.00 C +ATOM 29 CA GLN A 29 267.591 256.948 263.362 1.00 0.00 C +ATOM 30 CA ALA A 30 268.398 256.970 267.085 1.00 0.00 C +ATOM 31 CA HIS A 31 266.635 255.905 270.290 1.00 0.00 C +ATOM 32 CA ASP A 32 266.444 258.507 273.067 1.00 0.00 C +ATOM 33 CA SER A 33 263.897 258.796 275.886 1.00 0.00 C +ATOM 34 CA ILE A 34 261.418 257.011 278.163 1.00 0.00 C +ATOM 35 CA SER A 35 261.382 254.427 280.962 1.00 0.00 C +ATOM 36 CA ALA A 36 258.865 251.792 282.075 1.00 0.00 C +ATOM 37 CA GLU A 37 255.884 253.483 283.740 1.00 0.00 C +ATOM 38 CA LYS A 38 252.475 255.176 283.566 1.00 0.00 C +ATOM 39 CA GLU A 39 250.505 254.343 280.413 1.00 0.00 C +ATOM 40 CA GLU A 40 249.039 257.621 279.140 1.00 0.00 C +ATOM 41 CA GLU A 41 246.197 256.603 276.816 1.00 0.00 C +ATOM 42 CA GLU A 42 245.050 253.949 274.335 1.00 0.00 C +ATOM 43 CA LYS A 43 247.280 252.127 271.840 1.00 0.00 C +ATOM 44 CA HIS A 44 247.393 248.701 270.177 1.00 0.00 C +ATOM 45 CA LEU A 45 245.474 246.070 268.199 1.00 0.00 C +ATOM 46 CA ASP A 46 246.049 244.794 264.655 1.00 0.00 C +ATOM 47 CA VAL A 47 245.341 241.358 263.168 1.00 0.00 C +ATOM 48 CA GLY A 48 243.396 239.069 260.825 1.00 0.00 C +ATOM 49 CA SER A 49 243.767 237.514 257.366 1.00 0.00 C +ATOM 50 CA ILE A 50 243.875 233.748 256.799 1.00 0.00 C +ATOM 51 CA ARG A 51 244.654 232.228 253.393 1.00 0.00 C +ATOM 52 CA GLU A 52 243.049 233.889 250.363 1.00 0.00 C +ATOM 53 CA LEU A 53 240.804 231.332 248.650 1.00 0.00 C +ATOM 54 CA PRO A 54 239.260 228.012 247.594 1.00 0.00 C +ATOM 55 CA HIS A 55 237.406 228.524 244.306 1.00 0.00 C +ATOM 56 CA ILE A 56 234.336 228.760 242.062 1.00 0.00 C +ATOM 57 CA ASN A 57 230.623 227.937 242.290 1.00 0.00 C +ATOM 58 CA ALA A 58 228.400 227.450 239.234 1.00 0.00 C +ATOM 59 CA PRO A 59 225.406 229.381 237.886 1.00 0.00 C +ATOM 60 CA LYS A 60 223.899 232.289 235.938 1.00 0.00 C +ATOM 61 CA GLU A 61 226.729 234.499 234.663 1.00 0.00 C +ATOM 62 CA TYR A 62 226.489 237.674 236.756 1.00 0.00 C +ATOM 63 CA GLN A 63 225.235 240.972 238.193 1.00 0.00 C +ATOM 64 CA LYS A 64 223.327 243.715 236.362 1.00 0.00 C +ATOM 65 CA GLU A 65 219.624 242.825 236.251 1.00 0.00 C +ATOM 66 CA THR A 66 217.661 243.687 233.102 1.00 0.00 C +ATOM 67 CA LYS A 67 217.211 243.231 229.346 1.00 0.00 C +ATOM 68 CA GLU A 68 219.682 243.958 226.539 1.00 0.00 C +ATOM 69 CA LYS A 69 221.146 243.921 223.021 1.00 0.00 C +ATOM 70 CA GLU A 70 224.025 246.406 222.795 1.00 0.00 C +ATOM 71 CA THR A 71 224.453 249.828 224.415 1.00 0.00 C +ATOM 72 CA ASP A 72 227.327 251.580 226.200 1.00 0.00 C +ATOM 73 CA ARG A 73 227.150 254.309 228.854 1.00 0.00 C +ATOM 74 CA LYS A 74 226.569 253.721 232.573 1.00 0.00 C +ATOM 75 CA ILE A 75 229.388 252.974 235.025 1.00 0.00 C +ATOM 76 CA VAL A 76 229.433 255.918 237.443 1.00 0.00 C +ATOM 77 CA ASP A 77 227.558 254.983 240.625 1.00 0.00 C +ATOM 78 CA ASP A 78 225.567 256.168 243.649 1.00 0.00 C +ATOM 79 CA GLU A 79 223.473 253.865 245.846 1.00 0.00 C +ATOM 80 CA GLU A 80 222.462 251.612 248.747 1.00 0.00 C +ATOM 81 CA GLU A 81 223.582 247.985 249.082 1.00 0.00 C +ATOM 82 CA THR A 82 224.595 245.075 251.322 1.00 0.00 C +ATOM 83 CA LYS A 83 227.278 243.842 253.730 1.00 0.00 C +ATOM 84 CA PHE A 84 228.618 240.298 254.125 1.00 0.00 C +ATOM 85 CA GLU A 85 230.802 238.150 251.860 1.00 0.00 C +ATOM 86 CA THR A 86 228.932 235.830 249.486 1.00 0.00 C +ATOM 87 CA THR A 87 226.906 237.710 246.864 1.00 0.00 C +ATOM 88 CA LEU A 88 224.567 240.488 245.712 1.00 0.00 C +ATOM 89 CA GLU A 89 222.728 243.010 243.527 1.00 0.00 C +ATOM 90 CA PRO A 90 223.891 246.604 243.029 1.00 0.00 C +ATOM 91 CA GLU A 91 227.003 248.728 243.596 1.00 0.00 C +ATOM 92 CA GLU A 92 229.833 249.342 241.119 1.00 0.00 C +ATOM 93 CA GLU A 93 229.432 247.019 238.126 1.00 0.00 C +ATOM 94 CA ARG A 94 231.327 243.821 238.962 1.00 0.00 C +ATOM 95 CA ASP A 95 231.907 243.163 242.670 1.00 0.00 C +ATOM 96 CA SER A 96 234.681 243.525 245.257 1.00 0.00 C +ATOM 97 CA LYS A 97 238.069 244.533 243.835 1.00 0.00 C +ATOM 98 CA ARG A 98 241.454 243.029 244.729 1.00 0.00 C +ATOM 99 CA SER A 99 243.966 243.659 247.523 1.00 0.00 C +ATOM 100 CA ALA A 100 246.245 246.670 248.032 1.00 0.00 C +ATOM 101 CA PRO A 101 249.273 248.326 249.648 1.00 0.00 C +ATOM 102 CA PRO A 102 250.832 251.146 247.616 1.00 0.00 C +ATOM 103 CA TYR A 103 252.223 254.248 245.896 1.00 0.00 C +ATOM 104 CA GLU A 104 251.060 257.692 244.754 1.00 0.00 C +ATOM 105 CA GLU A 105 249.892 260.803 242.890 1.00 0.00 C +ATOM 106 CA GLU A 106 253.121 262.427 241.683 1.00 0.00 C +ATOM 107 CA ASP A 107 254.534 265.933 241.212 1.00 0.00 C +ATOM 108 CA GLU A 108 254.670 269.176 239.217 1.00 0.00 C +ATOM 109 CA ASP A 109 256.227 269.808 235.797 1.00 0.00 C +ATOM 110 CA GLU A 110 259.294 270.712 233.726 1.00 0.00 C +ATOM 111 CA GLU A 111 262.602 269.131 232.690 1.00 0.00 C +ATOM 112 CA PRO A 112 262.333 267.969 229.072 1.00 0.00 C +ATOM 113 CA ASP A 113 262.518 264.218 228.432 1.00 0.00 C +ATOM 114 CA LEU A 114 260.725 261.481 230.384 1.00 0.00 C +ATOM 115 CA ALA A 115 259.349 257.935 230.617 1.00 0.00 C +ATOM 116 CA GLU A 116 262.328 255.713 231.456 1.00 0.00 C +ATOM 117 CA GLU A 117 265.335 255.038 229.217 1.00 0.00 C +ATOM 118 CA ALA A 118 265.599 251.306 228.493 1.00 0.00 C +ATOM 119 CA LYS A 119 266.515 249.014 231.395 1.00 0.00 C +ATOM 120 CA VAL A 120 267.206 245.693 233.130 1.00 0.00 C +ATOM 121 CA GLU A 121 265.289 242.931 234.922 1.00 0.00 C +ATOM 122 CA ILE A 122 261.831 241.638 233.981 1.00 0.00 C +ATOM 123 CA ILE A 123 260.250 239.379 236.610 1.00 0.00 C +ATOM 124 CA ILE A 124 257.824 236.496 236.045 1.00 0.00 C +ATOM 125 CA LEU A 125 255.946 234.984 233.095 1.00 0.00 C +ATOM 126 CA PRO A 126 252.193 235.608 232.890 1.00 0.00 C +ATOM 127 CA SER A 127 250.054 238.698 232.262 1.00 0.00 C +ATOM 128 CA GLU A 128 248.785 240.505 229.157 1.00 0.00 C +ATOM 129 CA SER A 129 247.986 238.828 225.831 1.00 0.00 C +ATOM 130 CA LYS A 130 245.021 238.447 223.469 1.00 0.00 C +ATOM 131 CA PRO A 131 241.592 240.051 223.035 1.00 0.00 C +ATOM 132 CA ALA A 132 238.223 241.798 222.700 1.00 0.00 C +ATOM 133 CA PRO A 133 238.083 245.466 223.722 1.00 0.00 C +ATOM 134 CA TRP A 134 235.031 247.704 224.164 1.00 0.00 C +ATOM 135 CA PHE A 135 236.064 250.805 226.123 1.00 0.00 C +ATOM 136 CA SER A 136 236.388 254.476 227.088 1.00 0.00 C +ATOM 137 CA GLN A 137 237.061 256.189 230.424 1.00 0.00 C +ATOM 138 CA THR A 138 238.833 259.560 230.303 1.00 0.00 C +ATOM 139 CA VAL A 139 236.214 262.172 231.218 1.00 0.00 C +ATOM 140 CA LYS A 140 236.264 265.744 232.542 1.00 0.00 C +ATOM 141 CA ARG A 141 234.483 268.327 230.382 1.00 0.00 C +ATOM 142 CA LYS A 142 236.834 268.961 227.451 1.00 0.00 C +ATOM 143 CA ALA A 143 240.301 268.614 225.910 1.00 0.00 C +TER 144 ALA A 143 +END diff --git a/Bacteria/P54568/P54568.dcd b/Bacteria/P54568/P54568.dcd new file mode 100644 index 0000000000000000000000000000000000000000..ca5af3d5bc70b23e16e76d9f0731019bc90de988 --- /dev/null +++ b/Bacteria/P54568/P54568.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:09595036891ee26fe78fca6b3012ac8282db53e99d779a13c43953a867d56353 +size 9680276 diff --git a/Bacteria/P54568/top.pdb b/Bacteria/P54568/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..09cf75185adfae070ba2192c8d33f4c118ece6e7 --- /dev/null +++ b/Bacteria/P54568/top.pdb @@ -0,0 +1,78 @@ +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 1 260.569 240.946 234.241 1.00 0.00 C +ATOM 2 CA LYS A 2 262.211 242.585 231.219 1.00 0.00 C +ATOM 3 CA LYS A 3 261.441 245.879 229.468 1.00 0.00 C +ATOM 4 CA GLN A 4 258.561 247.958 230.847 1.00 0.00 C +ATOM 5 CA LYS A 5 255.058 248.989 231.936 1.00 0.00 C +ATOM 6 CA SER A 6 251.795 250.093 233.562 1.00 0.00 C +ATOM 7 CA ILE A 7 250.165 252.194 236.291 1.00 0.00 C +ATOM 8 CA ASP A 8 247.865 255.134 235.527 1.00 0.00 C +ATOM 9 CA LYS A 9 248.018 257.814 232.824 1.00 0.00 C +ATOM 10 CA HIS A 10 248.288 259.878 229.632 1.00 0.00 C +ATOM 11 CA GLN A 11 247.702 263.499 228.605 1.00 0.00 C +ATOM 12 CA LEU A 12 247.100 266.545 230.813 1.00 0.00 C +ATOM 13 CA LYS A 13 248.697 268.934 233.315 1.00 0.00 C +ATOM 14 CA ASP A 14 250.165 269.659 236.755 1.00 0.00 C +ATOM 15 CA GLY A 15 253.812 269.421 237.832 1.00 0.00 C +ATOM 16 CA LEU A 16 255.993 271.858 239.785 1.00 0.00 C +ATOM 17 CA GLN A 17 259.647 272.887 239.461 1.00 0.00 C +ATOM 18 CA SER A 18 262.424 271.545 241.698 1.00 0.00 C +ATOM 19 CA ASP A 19 260.974 269.533 244.591 1.00 0.00 C +ATOM 20 CA ILE A 20 262.511 266.535 246.369 1.00 0.00 C +ATOM 21 CA LYS A 21 262.434 262.788 247.055 1.00 0.00 C +ATOM 22 CA ALA A 22 263.252 259.205 246.050 1.00 0.00 C +ATOM 23 CA LYS A 23 261.174 256.209 244.944 1.00 0.00 C +ATOM 24 CA LEU A 24 260.240 252.524 245.200 1.00 0.00 C +ATOM 25 CA MET A 25 258.562 251.470 248.454 1.00 0.00 C +ATOM 26 CA GLU A 26 259.931 250.027 251.704 1.00 0.00 C +ATOM 27 CA MET A 27 259.540 248.968 255.343 1.00 0.00 C +ATOM 28 CA LYS A 28 258.533 248.998 259.017 1.00 0.00 C +ATOM 29 CA SER A 29 257.557 245.584 260.397 1.00 0.00 C +ATOM 30 CA GLN A 30 254.368 245.955 262.448 1.00 0.00 C +ATOM 31 CA LEU A 31 254.028 242.756 264.490 1.00 0.00 C +ATOM 32 CA LYS A 32 256.074 239.579 264.980 1.00 0.00 C +ATOM 33 CA GLU A 33 258.036 236.463 264.005 1.00 0.00 C +ATOM 34 CA GLU A 34 259.782 233.352 265.343 1.00 0.00 C +ATOM 35 CA ASP A 35 258.822 229.777 264.442 1.00 0.00 C +ATOM 36 CA GLU A 36 260.457 229.106 261.067 1.00 0.00 C +ATOM 37 CA LYS A 37 257.823 228.391 258.408 1.00 0.00 C +ATOM 38 CA ARG A 38 255.016 228.109 255.848 1.00 0.00 C +ATOM 39 CA GLN A 39 254.977 226.210 252.545 1.00 0.00 C +ATOM 40 CA LYS A 40 255.941 226.379 248.863 1.00 0.00 C +ATOM 41 CA ARG A 41 252.950 225.479 246.680 1.00 0.00 C +ATOM 42 CA GLU A 42 251.411 227.070 243.579 1.00 0.00 C +ATOM 43 CA LYS A 43 249.055 229.714 242.174 1.00 0.00 C +ATOM 44 CA ALA A 44 248.869 233.426 243.012 1.00 0.00 C +ATOM 45 CA GLU A 45 247.350 235.476 240.182 1.00 0.00 C +ATOM 46 CA GLN A 46 245.999 238.669 241.762 1.00 0.00 C +ATOM 47 CA ILE A 47 244.145 239.201 245.047 1.00 0.00 C +ATOM 48 CA ARG A 48 241.070 241.303 245.848 1.00 0.00 C +ATOM 49 CA LYS A 49 241.545 245.028 246.491 1.00 0.00 C +ATOM 50 CA LYS A 50 243.594 248.166 247.177 1.00 0.00 C +ATOM 51 CA LYS A 51 243.401 249.503 250.739 1.00 0.00 C +ATOM 52 CA GLU A 52 245.538 250.954 253.539 1.00 0.00 C +ATOM 53 CA ILE A 53 245.555 253.375 256.481 1.00 0.00 C +ATOM 54 CA GLU A 54 246.564 254.748 259.889 1.00 0.00 C +ATOM 55 CA LYS A 55 249.310 253.521 262.228 1.00 0.00 C +ATOM 56 CA ASN A 56 248.325 253.222 265.896 1.00 0.00 C +ATOM 57 CA LYS A 57 246.395 250.537 267.789 1.00 0.00 C +ATOM 58 CA SER A 58 246.472 250.936 271.577 1.00 0.00 C +ATOM 59 CA PHE A 59 242.928 251.737 272.723 1.00 0.00 C +ATOM 60 CA GLU A 60 240.505 250.011 275.104 1.00 0.00 C +ATOM 61 CA GLU A 61 236.855 251.032 275.495 1.00 0.00 C +ATOM 62 CA LEU A 62 233.950 250.544 273.079 1.00 0.00 C +ATOM 63 CA LEU A 63 233.400 253.556 270.811 1.00 0.00 C +ATOM 64 CA ASN A 64 234.002 256.909 269.105 1.00 0.00 C +ATOM 65 CA GLU A 65 234.602 258.934 265.934 1.00 0.00 C +ATOM 66 CA SER A 66 235.110 258.870 262.159 1.00 0.00 C +ATOM 67 CA GLN A 67 237.079 258.946 258.898 1.00 0.00 C +ATOM 68 CA MET A 68 236.965 258.920 255.090 1.00 0.00 C +ATOM 69 CA ASP A 69 236.791 258.871 251.284 1.00 0.00 C +ATOM 70 CA TRP A 70 239.414 258.761 248.523 1.00 0.00 C +ATOM 71 CA HIS A 71 238.987 255.690 246.309 1.00 0.00 C +ATOM 72 CA GLN A 72 239.557 253.927 242.979 1.00 0.00 C +ATOM 73 CA TYR A 73 241.185 255.738 240.049 1.00 0.00 C +ATOM 74 CA LYS A 74 241.580 253.491 236.998 1.00 0.00 C +TER 75 LYS A 74 +END diff --git a/Bacteria/P56614/P56614.dcd b/Bacteria/P56614/P56614.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c8c41df540887bcff10747e03be3c13af0dd929b --- /dev/null +++ b/Bacteria/P56614/P56614.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b643c6ceca24a4956bf99ab7e3131c4067c9c0dddebfff949da2ac0cc8814a13 +size 7640276 diff --git a/Bacteria/P56614/top.pdb b/Bacteria/P56614/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5a704af4436ce6524c6fb56f9fdd19481a0ce08c --- /dev/null +++ b/Bacteria/P56614/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 1 252.728 234.586 241.375 1.00 0.00 C +ATOM 2 CA ALA A 2 254.373 237.016 243.805 1.00 0.00 C +ATOM 3 CA ASN A 3 254.573 235.361 247.231 1.00 0.00 C +ATOM 4 CA HIS A 4 253.255 231.819 247.713 1.00 0.00 C +ATOM 5 CA ARG A 5 251.137 228.983 246.303 1.00 0.00 C +ATOM 6 CA GLY A 6 250.976 228.694 242.507 1.00 0.00 C +ATOM 7 CA GLY A 7 249.075 225.750 241.011 1.00 0.00 C +ATOM 8 CA SER A 8 250.374 222.920 238.816 1.00 0.00 C +ATOM 9 CA GLY A 9 250.388 221.167 235.434 1.00 0.00 C +ATOM 10 CA ASN A 10 248.814 222.040 232.075 1.00 0.00 C +ATOM 11 CA PHE A 11 248.317 225.704 231.157 1.00 0.00 C +ATOM 12 CA ALA A 12 249.126 228.641 233.444 1.00 0.00 C +ATOM 13 CA GLU A 13 246.495 231.235 234.377 1.00 0.00 C +ATOM 14 CA ASP A 14 243.136 230.238 235.872 1.00 0.00 C +ATOM 15 CA ARG A 15 239.609 230.569 237.276 1.00 0.00 C +ATOM 16 CA GLU A 16 238.373 227.428 239.042 1.00 0.00 C +ATOM 17 CA ARG A 17 238.956 226.692 242.735 1.00 0.00 C +ATOM 18 CA ALA A 18 241.643 226.061 245.361 1.00 0.00 C +ATOM 19 CA SER A 19 241.771 228.690 248.116 1.00 0.00 C +ATOM 20 CA GLU A 20 239.183 231.373 247.332 1.00 0.00 C +ATOM 21 CA ALA A 21 235.916 233.333 247.402 1.00 0.00 C +ATOM 22 CA GLY A 22 232.676 235.329 247.212 1.00 0.00 C +ATOM 23 CA LYS A 23 233.311 238.968 248.145 1.00 0.00 C +ATOM 24 CA LYS A 24 231.116 241.977 248.946 1.00 0.00 C +ATOM 25 CA GLY A 25 231.103 243.583 252.401 1.00 0.00 C +ATOM 26 CA GLY A 26 230.865 245.838 255.462 1.00 0.00 C +ATOM 27 CA GLN A 27 231.420 249.582 255.026 1.00 0.00 C +ATOM 28 CA HIS A 28 232.944 251.343 252.010 1.00 0.00 C +ATOM 29 CA SER A 29 232.804 255.079 251.277 1.00 0.00 C +ATOM 30 CA GLY A 30 235.585 257.488 250.288 1.00 0.00 C +ATOM 31 CA GLY A 31 238.024 258.606 247.583 1.00 0.00 C +ATOM 32 CA ASN A 32 239.595 262.007 246.889 1.00 0.00 C +ATOM 33 CA PHE A 33 242.682 263.522 248.530 1.00 0.00 C +ATOM 34 CA LYS A 34 244.838 264.891 245.703 1.00 0.00 C +ATOM 35 CA ASN A 35 248.060 262.858 245.690 1.00 0.00 C +ATOM 36 CA ASP A 36 249.426 260.859 248.632 1.00 0.00 C +ATOM 37 CA PRO A 37 251.437 261.701 251.756 1.00 0.00 C +ATOM 38 CA GLN A 38 254.518 263.943 251.781 1.00 0.00 C +ATOM 39 CA ARG A 39 257.289 262.604 254.027 1.00 0.00 C +ATOM 40 CA ALA A 40 258.717 259.533 255.772 1.00 0.00 C +ATOM 41 CA SER A 41 261.343 257.928 258.018 1.00 0.00 C +ATOM 42 CA GLU A 42 260.418 255.953 261.142 1.00 0.00 C +ATOM 43 CA ALA A 43 261.818 254.016 264.109 1.00 0.00 C +ATOM 44 CA GLY A 44 265.476 255.044 264.384 1.00 0.00 C +ATOM 45 CA LYS A 45 265.361 258.673 265.539 1.00 0.00 C +ATOM 46 CA LYS A 46 265.768 262.090 263.905 1.00 0.00 C +ATOM 47 CA GLY A 47 262.780 263.159 261.796 1.00 0.00 C +ATOM 48 CA GLY A 48 260.480 266.191 261.982 1.00 0.00 C +ATOM 49 CA LYS A 49 260.980 268.215 258.793 1.00 0.00 C +ATOM 50 CA SER A 50 263.443 271.116 258.984 1.00 0.00 C +ATOM 51 CA SER A 51 264.066 274.710 260.085 1.00 0.00 C +ATOM 52 CA HIS A 52 265.612 277.669 261.920 1.00 0.00 C +ATOM 53 CA GLY A 53 266.214 281.369 262.600 1.00 0.00 C +ATOM 54 CA LYS A 54 267.056 283.768 259.762 1.00 0.00 C +ATOM 55 CA SER A 55 267.786 287.221 258.326 1.00 0.00 C +ATOM 56 CA ASP A 56 267.997 290.979 257.738 1.00 0.00 C +ATOM 57 CA ASN A 57 268.776 293.886 255.402 1.00 0.00 C +TER 58 ASN A 57 +END diff --git a/Bacteria/P58288/P58288.dcd b/Bacteria/P58288/P58288.dcd new file mode 100644 index 0000000000000000000000000000000000000000..9a693eb93873d7ea185f3bc59375cdcd71b4a3fe --- /dev/null +++ b/Bacteria/P58288/P58288.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:871e890bf56b5d0073b1cd34f0e788dfcb7ff6a2c1b0b6800dc2c2a2b73b7382 +size 6080276 diff --git a/Bacteria/P58288/top.pdb b/Bacteria/P58288/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..03cf52bab94dce483a072a9b006c7919808c202a --- /dev/null +++ b/Bacteria/P58288/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 MET A 1 257.906 259.199 237.892 1.00 0.00 C +ATOM 2 CA LYS A 2 260.167 258.523 234.901 1.00 0.00 C +ATOM 3 CA ARG A 3 263.118 256.124 234.677 1.00 0.00 C +ATOM 4 CA THR A 4 264.455 253.166 236.672 1.00 0.00 C +ATOM 5 CA TYR A 5 263.141 249.820 235.411 1.00 0.00 C +ATOM 6 CA GLN A 6 261.053 246.637 235.553 1.00 0.00 C +ATOM 7 CA PRO A 7 260.661 242.910 234.862 1.00 0.00 C +ATOM 8 CA SER A 8 259.047 239.478 235.219 1.00 0.00 C +ATOM 9 CA ARG A 9 258.367 236.690 237.725 1.00 0.00 C +ATOM 10 CA ARG A 10 259.661 233.821 239.873 1.00 0.00 C +ATOM 11 CA LYS A 11 262.421 235.035 242.202 1.00 0.00 C +ATOM 12 CA ARG A 12 261.929 238.475 243.764 1.00 0.00 C +ATOM 13 CA LYS A 13 260.332 241.828 242.914 1.00 0.00 C +ATOM 14 CA ARG A 14 261.009 244.296 245.737 1.00 0.00 C +ATOM 15 CA THR A 15 262.250 246.169 248.814 1.00 0.00 C +ATOM 16 CA HIS A 16 264.985 248.415 250.225 1.00 0.00 C +ATOM 17 CA GLY A 17 265.384 248.288 254.012 1.00 0.00 C +ATOM 18 CA PHE A 18 264.327 248.376 257.672 1.00 0.00 C +ATOM 19 CA LEU A 19 260.544 247.968 257.859 1.00 0.00 C +ATOM 20 CA ALA A 20 257.838 245.585 259.090 1.00 0.00 C +ATOM 21 CA ARG A 21 254.959 243.496 260.454 1.00 0.00 C +ATOM 22 CA LYS A 22 254.450 240.851 263.149 1.00 0.00 C +ATOM 23 CA ARG A 23 254.920 237.173 262.271 1.00 0.00 C +ATOM 24 CA THR A 24 254.820 234.469 259.588 1.00 0.00 C +ATOM 25 CA PRO A 25 254.346 235.147 255.869 1.00 0.00 C +ATOM 26 CA GLY A 26 254.344 238.680 254.442 1.00 0.00 C +ATOM 27 CA GLY A 27 251.949 239.615 251.630 1.00 0.00 C +ATOM 28 CA ARG A 28 249.678 242.289 253.118 1.00 0.00 C +ATOM 29 CA ARG A 29 246.779 244.514 252.041 1.00 0.00 C +ATOM 30 CA VAL A 30 246.554 248.297 251.647 1.00 0.00 C +ATOM 31 CA LEU A 31 243.081 249.856 251.487 1.00 0.00 C +ATOM 32 CA LYS A 32 242.917 253.587 250.734 1.00 0.00 C +ATOM 33 CA ASN A 33 241.437 256.714 252.330 1.00 0.00 C +ATOM 34 CA ARG A 34 241.357 260.012 250.423 1.00 0.00 C +ATOM 35 CA ARG A 35 237.831 261.451 250.537 1.00 0.00 C +ATOM 36 CA ARG A 36 236.230 261.066 253.973 1.00 0.00 C +ATOM 37 CA LYS A 37 233.294 263.414 254.595 1.00 0.00 C +ATOM 38 CA GLY A 38 230.302 261.157 255.283 1.00 0.00 C +ATOM 39 CA ARG A 39 226.871 260.692 256.873 1.00 0.00 C +ATOM 40 CA TRP A 40 224.088 263.254 257.321 1.00 0.00 C +ATOM 41 CA ARG A 41 222.217 266.574 257.317 1.00 0.00 C +ATOM 42 CA LEU A 42 224.063 269.797 258.163 1.00 0.00 C +ATOM 43 CA THR A 43 221.796 272.642 259.297 1.00 0.00 C +ATOM 44 CA VAL A 44 223.119 274.447 262.381 1.00 0.00 C +TER 45 VAL A 44 +END diff --git a/Bacteria/P66248/P66248.dcd b/Bacteria/P66248/P66248.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a4862c55c41d9aa762889d48ad4f1f5862616a33 --- /dev/null +++ b/Bacteria/P66248/P66248.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8053ba8f0f434ca38d45d0abae11c0059b9083ebc6ad1706ddbcf6264ade22d4 +size 6080276 diff --git a/Bacteria/P66248/top.pdb b/Bacteria/P66248/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0bab4340885d7c7680f498af5a0654a95decd918 --- /dev/null +++ b/Bacteria/P66248/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 MET A 1 229.051 230.237 265.597 1.00 0.00 C +ATOM 2 CA LYS A 2 228.042 226.771 266.817 1.00 0.00 C +ATOM 3 CA ARG A 3 226.091 223.752 265.554 1.00 0.00 C +ATOM 4 CA THR A 4 224.410 223.856 262.136 1.00 0.00 C +ATOM 5 CA TYR A 5 225.183 225.172 258.646 1.00 0.00 C +ATOM 6 CA GLN A 6 227.969 227.164 256.977 1.00 0.00 C +ATOM 7 CA PRO A 7 227.788 230.892 256.209 1.00 0.00 C +ATOM 8 CA SER A 8 231.222 232.532 256.018 1.00 0.00 C +ATOM 9 CA LYS A 9 232.835 232.651 252.568 1.00 0.00 C +ATOM 10 CA ARG A 10 235.631 234.587 250.849 1.00 0.00 C +ATOM 11 CA LYS A 11 238.671 236.819 251.390 1.00 0.00 C +ATOM 12 CA ARG A 12 239.797 238.042 247.961 1.00 0.00 C +ATOM 13 CA LYS A 13 243.423 238.435 246.862 1.00 0.00 C +ATOM 14 CA LYS A 14 245.857 240.316 249.109 1.00 0.00 C +ATOM 15 CA VAL A 15 247.583 243.704 249.351 1.00 0.00 C +ATOM 16 CA HIS A 16 244.926 246.335 250.082 1.00 0.00 C +ATOM 17 CA GLY A 17 243.819 249.702 248.682 1.00 0.00 C +ATOM 18 CA PHE A 18 244.949 249.953 245.052 1.00 0.00 C +ATOM 19 CA ARG A 19 243.530 250.683 241.592 1.00 0.00 C +ATOM 20 CA THR A 20 246.180 249.842 238.986 1.00 0.00 C +ATOM 21 CA ARG A 21 249.488 250.611 240.713 1.00 0.00 C +ATOM 22 CA MET A 22 252.856 249.231 239.589 1.00 0.00 C +ATOM 23 CA SER A 23 255.915 250.820 237.964 1.00 0.00 C +ATOM 24 CA THR A 24 258.693 253.364 237.394 1.00 0.00 C +ATOM 25 CA LYS A 25 260.429 253.748 240.764 1.00 0.00 C +ATOM 26 CA ASN A 26 261.309 251.325 243.570 1.00 0.00 C +ATOM 27 CA GLY A 27 259.480 252.202 246.795 1.00 0.00 C +ATOM 28 CA ARG A 28 258.218 252.486 250.379 1.00 0.00 C +ATOM 29 CA ARG A 29 259.945 250.941 253.403 1.00 0.00 C +ATOM 30 CA VAL A 30 263.695 251.606 253.336 1.00 0.00 C +ATOM 31 CA LEU A 31 264.662 255.170 252.397 1.00 0.00 C +ATOM 32 CA ALA A 32 262.186 257.993 253.043 1.00 0.00 C +ATOM 33 CA SER A 33 260.676 260.852 255.059 1.00 0.00 C +ATOM 34 CA ARG A 34 258.510 263.951 254.589 1.00 0.00 C +ATOM 35 CA ARG A 35 256.374 265.174 251.681 1.00 0.00 C +ATOM 36 CA ARG A 36 256.824 268.726 250.379 1.00 0.00 C +ATOM 37 CA LYS A 37 257.168 272.279 249.048 1.00 0.00 C +ATOM 38 CA GLY A 38 259.530 275.034 247.885 1.00 0.00 C +ATOM 39 CA ARG A 39 262.944 275.124 249.573 1.00 0.00 C +ATOM 40 CA LYS A 40 266.473 275.946 248.397 1.00 0.00 C +ATOM 41 CA VAL A 41 269.375 273.477 248.411 1.00 0.00 C +ATOM 42 CA LEU A 42 272.905 272.549 247.321 1.00 0.00 C +ATOM 43 CA SER A 43 272.967 269.432 245.130 1.00 0.00 C +ATOM 44 CA ALA A 44 272.423 266.512 242.744 1.00 0.00 C +TER 45 ALA A 44 +END diff --git a/Bacteria/P66252/P66252.dcd b/Bacteria/P66252/P66252.dcd new file mode 100644 index 0000000000000000000000000000000000000000..447cf1a1b68885b44c8d39b1a3e74bb9aa10fa43 --- /dev/null +++ b/Bacteria/P66252/P66252.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a34dc1962e31f4f50bfec421e20a8361de96cf2ced4726e8021564b7d3a28672 +size 6200276 diff --git a/Bacteria/P66252/top.pdb b/Bacteria/P66252/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..69705a00a1bdceb1b99a7ef872b90e8606445739 --- /dev/null +++ b/Bacteria/P66252/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 1 239.090 231.642 272.835 1.00 0.00 C +ATOM 2 CA VAL A 2 239.533 234.401 270.244 1.00 0.00 C +ATOM 3 CA LYS A 3 236.752 235.672 267.971 1.00 0.00 C +ATOM 4 CA ARG A 4 233.458 234.004 268.913 1.00 0.00 C +ATOM 5 CA THR A 5 231.787 232.742 265.730 1.00 0.00 C +ATOM 6 CA TYR A 6 229.824 229.663 266.817 1.00 0.00 C +ATOM 7 CA GLN A 7 227.657 228.247 269.612 1.00 0.00 C +ATOM 8 CA PRO A 8 229.231 225.160 271.197 1.00 0.00 C +ATOM 9 CA ASN A 9 232.719 224.564 272.610 1.00 0.00 C +ATOM 10 CA LYS A 10 235.204 224.232 269.742 1.00 0.00 C +ATOM 11 CA ARG A 11 234.571 225.359 266.158 1.00 0.00 C +ATOM 12 CA LYS A 12 235.380 226.237 262.540 1.00 0.00 C +ATOM 13 CA HIS A 13 238.305 226.333 260.101 1.00 0.00 C +ATOM 14 CA SER A 14 239.972 227.518 256.886 1.00 0.00 C +ATOM 15 CA LYS A 15 239.745 230.444 254.456 1.00 0.00 C +ATOM 16 CA VAL A 16 241.872 233.445 253.464 1.00 0.00 C +ATOM 17 CA HIS A 17 241.087 236.332 251.105 1.00 0.00 C +ATOM 18 CA GLY A 18 241.738 239.541 249.157 1.00 0.00 C +ATOM 19 CA PHE A 19 242.672 241.844 246.270 1.00 0.00 C +ATOM 20 CA ARG A 20 243.250 245.376 247.577 1.00 0.00 C +ATOM 21 CA LYS A 21 243.966 247.102 250.897 1.00 0.00 C +ATOM 22 CA ARG A 22 243.811 250.832 251.660 1.00 0.00 C +ATOM 23 CA MET A 23 246.683 252.676 253.351 1.00 0.00 C +ATOM 24 CA SER A 24 248.829 253.934 250.465 1.00 0.00 C +ATOM 25 CA THR A 25 252.213 252.360 249.703 1.00 0.00 C +ATOM 26 CA LYS A 26 252.517 252.513 245.908 1.00 0.00 C +ATOM 27 CA ASN A 27 254.344 250.635 243.143 1.00 0.00 C +ATOM 28 CA GLY A 28 258.035 250.936 242.245 1.00 0.00 C +ATOM 29 CA ARG A 29 259.432 252.997 239.361 1.00 0.00 C +ATOM 30 CA LYS A 30 257.447 255.516 237.305 1.00 0.00 C +ATOM 31 CA VAL A 31 258.562 256.078 233.705 1.00 0.00 C +ATOM 32 CA LEU A 32 261.674 258.185 233.079 1.00 0.00 C +ATOM 33 CA ALA A 33 263.168 261.663 233.516 1.00 0.00 C +ATOM 34 CA ARG A 34 261.992 265.128 234.577 1.00 0.00 C +ATOM 35 CA ARG A 35 262.600 268.817 235.313 1.00 0.00 C +ATOM 36 CA ARG A 36 265.700 269.871 237.263 1.00 0.00 C +ATOM 37 CA ARG A 37 267.240 271.074 240.533 1.00 0.00 C +ATOM 38 CA LYS A 38 266.117 274.313 242.196 1.00 0.00 C +ATOM 39 CA GLY A 39 268.377 277.371 242.434 1.00 0.00 C +ATOM 40 CA ARG A 40 270.315 278.318 239.294 1.00 0.00 C +ATOM 41 CA LYS A 41 269.543 276.995 235.806 1.00 0.00 C +ATOM 42 CA VAL A 42 269.514 279.992 233.454 1.00 0.00 C +ATOM 43 CA LEU A 43 271.055 283.341 232.492 1.00 0.00 C +ATOM 44 CA SER A 44 271.871 287.013 233.098 1.00 0.00 C +ATOM 45 CA ALA A 45 271.151 289.584 235.815 1.00 0.00 C +TER 46 ALA A 45 +END diff --git a/Bacteria/P66261/P66261.dcd b/Bacteria/P66261/P66261.dcd new file mode 100644 index 0000000000000000000000000000000000000000..dbec7c9e3b070636e1332613ecfc41f184c03743 --- /dev/null +++ b/Bacteria/P66261/P66261.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f0247654c5c545706ac62b93609abab3f354f136aaa3b808bdf21dae1daf51d3 +size 6320276 diff --git a/Bacteria/P66261/top.pdb b/Bacteria/P66261/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9544a39eb7cbcf149cf174cece7186c468f63898 --- /dev/null +++ b/Bacteria/P66261/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 1 256.728 246.670 255.528 1.00 0.00 C +ATOM 2 CA ALA A 2 253.847 247.091 257.984 1.00 0.00 C +ATOM 3 CA THR A 3 250.690 247.493 255.889 1.00 0.00 C +ATOM 4 CA LYS A 4 248.137 249.887 254.384 1.00 0.00 C +ATOM 5 CA ARG A 5 247.594 253.637 254.779 1.00 0.00 C +ATOM 6 CA THR A 6 244.087 254.378 253.487 1.00 0.00 C +ATOM 7 CA PHE A 7 241.041 252.092 253.613 1.00 0.00 C +ATOM 8 CA GLN A 8 238.412 249.769 255.099 1.00 0.00 C +ATOM 9 CA PRO A 9 238.074 246.098 254.135 1.00 0.00 C +ATOM 10 CA SER A 10 238.747 243.857 257.141 1.00 0.00 C +ATOM 11 CA ASN A 11 237.596 240.239 257.468 1.00 0.00 C +ATOM 12 CA LEU A 12 233.964 239.189 257.002 1.00 0.00 C +ATOM 13 CA LYS A 13 231.036 240.299 254.831 1.00 0.00 C +ATOM 14 CA ARG A 14 229.084 240.576 251.570 1.00 0.00 C +ATOM 15 CA ALA A 15 229.559 241.061 247.821 1.00 0.00 C +ATOM 16 CA ARG A 16 232.161 243.060 245.885 1.00 0.00 C +ATOM 17 CA ASP A 17 233.639 245.666 248.238 1.00 0.00 C +ATOM 18 CA HIS A 18 236.114 248.045 246.584 1.00 0.00 C +ATOM 19 CA GLY A 19 239.655 246.774 247.188 1.00 0.00 C +ATOM 20 CA PHE A 20 243.377 247.553 246.947 1.00 0.00 C +ATOM 21 CA ARG A 21 244.024 251.225 247.732 1.00 0.00 C +ATOM 22 CA ALA A 22 247.147 253.407 247.682 1.00 0.00 C +ATOM 23 CA ARG A 23 250.445 252.972 249.540 1.00 0.00 C +ATOM 24 CA MET A 24 253.640 252.247 251.483 1.00 0.00 C +ATOM 25 CA ALA A 25 256.256 255.008 251.260 1.00 0.00 C +ATOM 26 CA THR A 26 259.481 256.916 251.949 1.00 0.00 C +ATOM 27 CA ALA A 27 261.059 259.250 249.384 1.00 0.00 C +ATOM 28 CA ASP A 28 261.451 262.944 248.536 1.00 0.00 C +ATOM 29 CA GLY A 29 259.686 265.991 247.081 1.00 0.00 C +ATOM 30 CA ARG A 30 258.927 267.478 243.656 1.00 0.00 C +ATOM 31 CA LYS A 31 256.314 268.379 241.035 1.00 0.00 C +ATOM 32 CA ILE A 32 252.814 267.364 242.149 1.00 0.00 C +ATOM 33 CA LEU A 33 252.775 264.267 244.368 1.00 0.00 C +ATOM 34 CA ALA A 34 254.868 261.125 244.878 1.00 0.00 C +ATOM 35 CA ARG A 35 254.908 258.168 242.476 1.00 0.00 C +ATOM 36 CA ARG A 36 253.142 254.794 242.601 1.00 0.00 C +ATOM 37 CA ARG A 37 254.706 251.374 243.210 1.00 0.00 C +ATOM 38 CA ALA A 38 258.110 249.665 243.298 1.00 0.00 C +ATOM 39 CA LYS A 39 258.210 247.365 246.335 1.00 0.00 C +ATOM 40 CA GLY A 40 259.552 245.289 249.234 1.00 0.00 C +ATOM 41 CA ARG A 41 258.253 241.714 249.445 1.00 0.00 C +ATOM 42 CA LYS A 42 261.391 239.553 249.443 1.00 0.00 C +ATOM 43 CA ARG A 43 262.477 238.390 252.904 1.00 0.00 C +ATOM 44 CA LEU A 44 265.919 237.404 254.205 1.00 0.00 C +ATOM 45 CA SER A 45 269.309 238.655 255.415 1.00 0.00 C +ATOM 46 CA ALA A 46 271.593 235.619 255.127 1.00 0.00 C +TER 47 ALA A 46 +END diff --git a/Bacteria/P66285/P66285.dcd b/Bacteria/P66285/P66285.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e58affba35abf1172d8b6618580f819cb31adc85 --- /dev/null +++ b/Bacteria/P66285/P66285.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8d86d72f1fc2c192f3410f0298b11f4eee2c87b4ac3c00020a59bc8c8f98b13f +size 8600276 diff --git a/Bacteria/P66285/top.pdb b/Bacteria/P66285/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..316f2a00e6ef00e5d72e358e1c19daa0eb0a00ed --- /dev/null +++ b/Bacteria/P66285/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 1 195.907 264.830 241.917 1.00 0.00 C +ATOM 2 CA PRO A 2 199.325 266.514 241.933 1.00 0.00 C +ATOM 3 CA LYS A 3 200.956 265.922 238.542 1.00 0.00 C +ATOM 4 CA ILE A 4 204.657 265.324 237.863 1.00 0.00 C +ATOM 5 CA LYS A 5 207.646 267.525 237.002 1.00 0.00 C +ATOM 6 CA THR A 6 211.220 268.074 235.802 1.00 0.00 C +ATOM 7 CA ASN A 7 212.352 265.878 232.902 1.00 0.00 C +ATOM 8 CA ARG A 8 214.575 262.805 232.539 1.00 0.00 C +ATOM 9 CA ALA A 9 216.744 260.335 234.465 1.00 0.00 C +ATOM 10 CA ALA A 10 219.320 257.546 234.140 1.00 0.00 C +ATOM 11 CA ALA A 11 220.795 254.393 235.689 1.00 0.00 C +ATOM 12 CA LYS A 12 221.106 251.655 238.319 1.00 0.00 C +ATOM 13 CA ARG A 13 221.686 250.625 241.942 1.00 0.00 C +ATOM 14 CA PHE A 14 222.140 247.303 243.750 1.00 0.00 C +ATOM 15 CA ARG A 15 225.624 245.761 243.766 1.00 0.00 C +ATOM 16 CA LYS A 16 227.828 243.514 245.912 1.00 0.00 C +ATOM 17 CA THR A 17 227.273 244.437 249.567 1.00 0.00 C +ATOM 18 CA ALA A 18 230.610 245.870 250.719 1.00 0.00 C +ATOM 19 CA SER A 19 232.213 247.805 253.584 1.00 0.00 C +ATOM 20 CA GLY A 20 233.700 246.136 256.670 1.00 0.00 C +ATOM 21 CA LYS A 21 236.897 244.088 256.982 1.00 0.00 C +ATOM 22 CA TYR A 22 239.846 246.105 255.657 1.00 0.00 C +ATOM 23 CA LYS A 23 242.706 245.448 258.087 1.00 0.00 C +ATOM 24 CA ALA A 24 242.799 244.173 261.677 1.00 0.00 C +ATOM 25 CA GLY A 25 243.420 243.589 265.390 1.00 0.00 C +ATOM 26 CA HIS A 26 242.328 244.360 268.958 1.00 0.00 C +ATOM 27 CA ALA A 27 242.935 243.670 272.656 1.00 0.00 C +ATOM 28 CA ASN A 28 244.646 240.533 273.977 1.00 0.00 C +ATOM 29 CA ARG A 29 248.075 238.987 274.587 1.00 0.00 C +ATOM 30 CA SER A 30 251.612 237.842 273.755 1.00 0.00 C +ATOM 31 CA HIS A 31 253.382 236.080 276.633 1.00 0.00 C +ATOM 32 CA ILE A 32 256.513 233.915 276.779 1.00 0.00 C +ATOM 33 CA LEU A 33 258.843 234.500 273.821 1.00 0.00 C +ATOM 34 CA THR A 34 260.787 232.863 270.982 1.00 0.00 C +ATOM 35 CA LYS A 35 261.156 235.299 268.076 1.00 0.00 C +ATOM 36 CA LYS A 36 264.692 236.611 267.535 1.00 0.00 C +ATOM 37 CA ALA A 37 268.119 235.204 266.642 1.00 0.00 C +ATOM 38 CA THR A 38 267.727 231.491 265.881 1.00 0.00 C +ATOM 39 CA LYS A 39 264.971 231.379 263.252 1.00 0.00 C +ATOM 40 CA ARG A 40 262.213 229.536 261.378 1.00 0.00 C +ATOM 41 CA LYS A 41 261.814 229.547 257.589 1.00 0.00 C +ATOM 42 CA ARG A 42 259.496 231.511 255.289 1.00 0.00 C +ATOM 43 CA ASN A 43 260.123 234.772 253.422 1.00 0.00 C +ATOM 44 CA LEU A 44 260.930 234.954 249.703 1.00 0.00 C +ATOM 45 CA ARG A 45 260.861 234.344 245.942 1.00 0.00 C +ATOM 46 CA GLN A 46 262.631 237.095 243.988 1.00 0.00 C +ATOM 47 CA GLN A 47 265.594 238.997 245.443 1.00 0.00 C +ATOM 48 CA ASN A 48 267.112 242.485 245.651 1.00 0.00 C +ATOM 49 CA HIS A 49 268.783 245.263 243.649 1.00 0.00 C +ATOM 50 CA VAL A 50 268.552 248.912 244.719 1.00 0.00 C +ATOM 51 CA ARG A 51 270.471 252.172 244.258 1.00 0.00 C +ATOM 52 CA ALA A 52 272.529 251.904 241.064 1.00 0.00 C +ATOM 53 CA GLU A 53 272.166 254.812 238.628 1.00 0.00 C +ATOM 54 CA ASP A 54 274.836 256.269 236.334 1.00 0.00 C +ATOM 55 CA ALA A 55 277.878 258.177 237.608 1.00 0.00 C +ATOM 56 CA GLY A 56 279.734 260.535 235.262 1.00 0.00 C +ATOM 57 CA ARG A 57 278.782 264.165 234.601 1.00 0.00 C +ATOM 58 CA LEU A 58 280.429 266.646 236.978 1.00 0.00 C +ATOM 59 CA ASP A 59 281.474 267.468 240.548 1.00 0.00 C +ATOM 60 CA ARG A 60 285.071 268.724 240.500 1.00 0.00 C +ATOM 61 CA MET A 61 287.019 271.819 241.570 1.00 0.00 C +ATOM 62 CA LEU A 62 286.376 274.677 239.135 1.00 0.00 C +ATOM 63 CA PRO A 63 286.344 278.326 240.230 1.00 0.00 C +ATOM 64 CA TYR A 64 290.006 279.209 240.801 1.00 0.00 C +ATOM 65 CA LEU A 65 291.643 279.292 237.362 1.00 0.00 C +TER 66 LEU A 65 +END diff --git a/Bacteria/P66288/P66288.dcd b/Bacteria/P66288/P66288.dcd new file mode 100644 index 0000000000000000000000000000000000000000..127619c67fe6bf840374612953b011d040187a80 --- /dev/null +++ b/Bacteria/P66288/P66288.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6dc70715df8682f26e1794c3c761406382ac46cf636df1ba7e873d221fc28675 +size 6200276 diff --git a/Bacteria/P66288/top.pdb b/Bacteria/P66288/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c10e72a37239350f2a590ae1cc7919fd5ae6d63d --- /dev/null +++ b/Bacteria/P66288/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 1 256.476 251.434 211.763 1.00 0.00 C +ATOM 2 CA ARG A 2 253.755 254.099 211.877 1.00 0.00 C +ATOM 3 CA VAL A 3 252.413 254.676 215.396 1.00 0.00 C +ATOM 4 CA SER A 4 251.243 251.950 217.786 1.00 0.00 C +ATOM 5 CA SER A 5 248.075 251.384 219.825 1.00 0.00 C +ATOM 6 CA SER A 6 248.397 251.597 223.616 1.00 0.00 C +ATOM 7 CA ILE A 7 249.809 253.617 226.521 1.00 0.00 C +ATOM 8 CA LYS A 8 248.599 255.625 229.524 1.00 0.00 C +ATOM 9 CA ALA A 9 249.084 259.206 230.732 1.00 0.00 C +ATOM 10 CA ASP A 10 251.604 259.707 233.545 1.00 0.00 C +ATOM 11 CA PRO A 11 251.533 256.658 235.829 1.00 0.00 C +ATOM 12 CA SER A 12 251.446 255.306 239.390 1.00 0.00 C +ATOM 13 CA LYS A 13 250.280 258.202 241.574 1.00 0.00 C +ATOM 14 CA GLY A 14 250.251 258.447 245.376 1.00 0.00 C +ATOM 15 CA ASP A 15 251.328 255.269 247.179 1.00 0.00 C +ATOM 16 CA LYS A 16 249.100 253.440 249.671 1.00 0.00 C +ATOM 17 CA LEU A 17 245.889 251.389 249.690 1.00 0.00 C +ATOM 18 CA VAL A 18 244.039 249.094 252.104 1.00 0.00 C +ATOM 19 CA ARG A 19 241.935 245.918 252.069 1.00 0.00 C +ATOM 20 CA ARG A 20 243.148 242.636 253.576 1.00 0.00 C +ATOM 21 CA LYS A 21 245.869 243.235 256.175 1.00 0.00 C +ATOM 22 CA GLY A 22 247.760 240.057 257.089 1.00 0.00 C +ATOM 23 CA ARG A 23 251.274 240.593 255.718 1.00 0.00 C +ATOM 24 CA LEU A 24 253.527 242.229 253.117 1.00 0.00 C +ATOM 25 CA TYR A 25 257.062 243.440 253.862 1.00 0.00 C +ATOM 26 CA VAL A 26 258.935 244.137 257.106 1.00 0.00 C +ATOM 27 CA ILE A 27 256.444 243.634 259.944 1.00 0.00 C +ATOM 28 CA ASN A 28 254.285 240.974 261.612 1.00 0.00 C +ATOM 29 CA LYS A 29 253.067 237.534 262.708 1.00 0.00 C +ATOM 30 CA LYS A 30 249.806 237.493 264.677 1.00 0.00 C +ATOM 31 CA ASP A 31 249.318 240.585 266.849 1.00 0.00 C +ATOM 32 CA PRO A 32 249.957 243.074 269.662 1.00 0.00 C +ATOM 33 CA ASN A 33 248.044 244.777 272.483 1.00 0.00 C +ATOM 34 CA ARG A 34 248.991 247.201 275.265 1.00 0.00 C +ATOM 35 CA LYS A 35 249.296 250.986 274.948 1.00 0.00 C +ATOM 36 CA GLN A 36 248.614 253.124 271.868 1.00 0.00 C +ATOM 37 CA ARG A 37 249.939 251.395 268.742 1.00 0.00 C +ATOM 38 CA GLN A 38 250.019 249.426 265.481 1.00 0.00 C +ATOM 39 CA ALA A 39 252.486 248.397 262.766 1.00 0.00 C +ATOM 40 CA GLY A 40 252.801 251.186 260.189 1.00 0.00 C +ATOM 41 CA PRO A 41 249.821 250.760 257.854 1.00 0.00 C +ATOM 42 CA ALA A 42 247.462 253.736 257.551 1.00 0.00 C +ATOM 43 CA ARG A 43 246.731 257.453 257.964 1.00 0.00 C +ATOM 44 CA LYS A 44 245.884 260.750 259.676 1.00 0.00 C +ATOM 45 CA LYS A 45 244.205 264.170 259.650 1.00 0.00 C +TER 46 LYS A 45 +END diff --git a/Bacteria/P68997/P68997.dcd b/Bacteria/P68997/P68997.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e492a853bee30b58f49ad4e174eda3c4f9b50c27 --- /dev/null +++ b/Bacteria/P68997/P68997.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cb86f76130d3313a544b2f7bf09e37c61d61b32b7d26e2792cd824f6eeed5b1d +size 6080276 diff --git a/Bacteria/P68997/top.pdb b/Bacteria/P68997/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d0d9925f298ebd973d5c36e613b3ca222b321ad6 --- /dev/null +++ b/Bacteria/P68997/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 MET A 1 256.190 259.697 251.620 1.00 0.00 C +ATOM 2 CA LYS A 2 255.095 256.095 252.201 1.00 0.00 C +ATOM 3 CA ARG A 3 257.385 253.081 251.760 1.00 0.00 C +ATOM 4 CA THR A 4 259.479 250.307 250.200 1.00 0.00 C +ATOM 5 CA PHE A 5 262.736 248.380 250.644 1.00 0.00 C +ATOM 6 CA GLN A 6 266.133 247.863 252.289 1.00 0.00 C +ATOM 7 CA PRO A 7 269.210 246.268 250.707 1.00 0.00 C +ATOM 8 CA ASN A 8 270.274 242.646 250.187 1.00 0.00 C +ATOM 9 CA GLN A 9 268.451 240.083 248.036 1.00 0.00 C +ATOM 10 CA ARG A 10 264.730 239.526 247.436 1.00 0.00 C +ATOM 11 CA LYS A 11 261.526 238.939 245.460 1.00 0.00 C +ATOM 12 CA ARG A 12 260.024 238.353 242.008 1.00 0.00 C +ATOM 13 CA LYS A 13 259.262 236.800 238.613 1.00 0.00 C +ATOM 14 CA LYS A 14 256.041 234.882 237.933 1.00 0.00 C +ATOM 15 CA ASP A 15 253.946 231.943 236.712 1.00 0.00 C +ATOM 16 CA HIS A 16 252.455 228.700 238.046 1.00 0.00 C +ATOM 17 CA GLY A 17 250.796 228.574 241.473 1.00 0.00 C +ATOM 18 CA PHE A 18 248.983 231.784 242.433 1.00 0.00 C +ATOM 19 CA ARG A 19 246.431 234.507 243.203 1.00 0.00 C +ATOM 20 CA ALA A 20 248.155 237.749 242.187 1.00 0.00 C +ATOM 21 CA ARG A 21 250.659 240.599 242.535 1.00 0.00 C +ATOM 22 CA MET A 22 252.097 243.604 240.686 1.00 0.00 C +ATOM 23 CA SER A 23 251.032 246.960 239.229 1.00 0.00 C +ATOM 24 CA THR A 24 249.466 250.137 237.827 1.00 0.00 C +ATOM 25 CA LYS A 25 251.573 253.265 238.368 1.00 0.00 C +ATOM 26 CA ASN A 26 255.310 252.651 237.954 1.00 0.00 C +ATOM 27 CA GLY A 27 257.421 250.908 240.604 1.00 0.00 C +ATOM 28 CA ARG A 28 256.832 249.478 244.086 1.00 0.00 C +ATOM 29 CA LYS A 29 254.507 251.753 246.069 1.00 0.00 C +ATOM 30 CA VAL A 30 251.698 250.970 248.520 1.00 0.00 C +ATOM 31 CA LEU A 31 249.764 253.997 249.791 1.00 0.00 C +ATOM 32 CA LYS A 32 248.412 255.598 252.973 1.00 0.00 C +ATOM 33 CA ARG A 33 246.780 258.436 254.921 1.00 0.00 C +ATOM 34 CA ARG A 34 244.376 259.992 257.435 1.00 0.00 C +ATOM 35 CA ARG A 35 242.908 261.521 260.601 1.00 0.00 C +ATOM 36 CA VAL A 36 239.637 260.043 261.876 1.00 0.00 C +ATOM 37 CA ARG A 37 237.480 261.110 264.830 1.00 0.00 C +ATOM 38 CA GLY A 38 234.066 260.849 266.502 1.00 0.00 C +ATOM 39 CA ARG A 39 232.483 264.242 267.203 1.00 0.00 C +ATOM 40 CA ALA A 40 230.529 267.056 268.870 1.00 0.00 C +ATOM 41 CA LYS A 41 227.109 268.688 269.272 1.00 0.00 C +ATOM 42 CA LEU A 42 225.188 268.316 266.003 1.00 0.00 C +ATOM 43 CA SER A 43 222.992 270.920 264.297 1.00 0.00 C +ATOM 44 CA ALA A 44 220.380 272.728 266.400 1.00 0.00 C +TER 45 ALA A 44 +END diff --git a/Bacteria/P70964/P70964.dcd b/Bacteria/P70964/P70964.dcd new file mode 100644 index 0000000000000000000000000000000000000000..411493990e57faf6a21da50c7a73b06f46fefd8c --- /dev/null +++ b/Bacteria/P70964/P70964.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2cce445c84238da37a38644e9a1837dfa51ca5a7bef535dc97919c51054521cc +size 8240276 diff --git a/Bacteria/P70964/top.pdb b/Bacteria/P70964/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5030d18d82025ff7e3f4935e62d956e9de88ec8e --- /dev/null +++ b/Bacteria/P70964/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 1 282.381 228.868 238.712 1.00 0.00 C +ATOM 2 CA GLY A 2 281.733 230.222 242.214 1.00 0.00 C +ATOM 3 CA ASN A 3 278.288 231.186 243.526 1.00 0.00 C +ATOM 4 CA ASP A 4 276.191 234.266 244.321 1.00 0.00 C +ATOM 5 CA SER A 5 273.604 237.062 244.318 1.00 0.00 C +ATOM 6 CA VAL A 6 274.013 240.435 242.595 1.00 0.00 C +ATOM 7 CA LYS A 7 272.778 240.641 238.996 1.00 0.00 C +ATOM 8 CA ASP A 8 268.990 241.053 238.972 1.00 0.00 C +ATOM 9 CA LYS A 9 267.958 244.693 238.520 1.00 0.00 C +ATOM 10 CA MET A 10 264.707 246.547 239.230 1.00 0.00 C +ATOM 11 CA LYS A 11 262.368 245.898 242.167 1.00 0.00 C +ATOM 12 CA GLY A 12 258.636 245.713 242.911 1.00 0.00 C +ATOM 13 CA GLY A 13 256.062 248.234 241.672 1.00 0.00 C +ATOM 14 CA PHE A 14 254.620 251.664 242.491 1.00 0.00 C +ATOM 15 CA ASN A 15 256.427 254.979 243.006 1.00 0.00 C +ATOM 16 CA LYS A 16 258.310 255.546 246.269 1.00 0.00 C +ATOM 17 CA ALA A 17 261.566 257.145 247.433 1.00 0.00 C +ATOM 18 CA LYS A 18 263.444 255.029 249.985 1.00 0.00 C +ATOM 19 CA GLY A 19 265.649 252.389 248.345 1.00 0.00 C +ATOM 20 CA GLU A 20 265.848 250.565 245.007 1.00 0.00 C +ATOM 21 CA VAL A 21 267.473 247.123 245.176 1.00 0.00 C +ATOM 22 CA LYS A 22 268.280 244.573 247.890 1.00 0.00 C +ATOM 23 CA ASP A 23 266.874 242.028 250.352 1.00 0.00 C +ATOM 24 CA LYS A 24 264.329 242.070 253.187 1.00 0.00 C +ATOM 25 CA VAL A 25 261.059 243.614 251.989 1.00 0.00 C +ATOM 26 CA GLY A 26 258.997 245.135 254.809 1.00 0.00 C +ATOM 27 CA ASP A 27 260.497 247.510 257.383 1.00 0.00 C +ATOM 28 CA MET A 28 259.982 251.282 257.219 1.00 0.00 C +ATOM 29 CA ALA A 29 261.880 254.182 258.801 1.00 0.00 C +ATOM 30 CA ASP A 30 259.308 255.862 261.055 1.00 0.00 C +ATOM 31 CA ARG A 31 258.240 253.267 263.632 1.00 0.00 C +ATOM 32 CA THR A 32 256.034 252.860 266.711 1.00 0.00 C +ATOM 33 CA ASP A 33 252.280 252.256 266.961 1.00 0.00 C +ATOM 34 CA MET A 34 250.184 255.312 267.845 1.00 0.00 C +ATOM 35 CA GLN A 35 250.799 258.299 265.561 1.00 0.00 C +ATOM 36 CA ALA A 36 250.434 259.296 261.902 1.00 0.00 C +ATOM 37 CA GLU A 37 250.340 262.051 259.272 1.00 0.00 C +ATOM 38 CA GLY A 38 249.736 261.834 255.516 1.00 0.00 C +ATOM 39 CA LYS A 39 247.695 260.703 252.504 1.00 0.00 C +ATOM 40 CA LYS A 40 248.262 261.667 248.862 1.00 0.00 C +ATOM 41 CA ASP A 41 247.449 262.444 245.222 1.00 0.00 C +ATOM 42 CA LYS A 42 246.027 259.211 243.794 1.00 0.00 C +ATOM 43 CA ALA A 43 242.894 258.043 245.621 1.00 0.00 C +ATOM 44 CA LYS A 44 242.824 255.130 248.077 1.00 0.00 C +ATOM 45 CA GLY A 45 240.166 253.661 250.377 1.00 0.00 C +ATOM 46 CA GLU A 46 240.153 249.906 251.020 1.00 0.00 C +ATOM 47 CA ILE A 47 239.479 247.381 248.247 1.00 0.00 C +ATOM 48 CA GLN A 48 236.171 247.849 246.414 1.00 0.00 C +ATOM 49 CA LYS A 49 233.072 249.493 244.929 1.00 0.00 C +ATOM 50 CA ASP A 50 229.306 249.881 244.503 1.00 0.00 C +ATOM 51 CA ILE A 51 228.344 252.894 246.627 1.00 0.00 C +ATOM 52 CA GLY A 52 224.643 253.004 247.527 1.00 0.00 C +ATOM 53 CA LYS A 53 222.538 255.649 249.285 1.00 0.00 C +ATOM 54 CA ALA A 54 222.133 255.014 253.020 1.00 0.00 C +ATOM 55 CA LYS A 55 221.175 253.159 256.207 1.00 0.00 C +ATOM 56 CA ASP A 56 218.338 254.409 258.422 1.00 0.00 C +ATOM 57 CA LYS A 57 214.876 255.317 257.115 1.00 0.00 C +ATOM 58 CA PHE A 58 213.225 253.946 253.967 1.00 0.00 C +ATOM 59 CA SER A 59 212.795 253.097 250.278 1.00 0.00 C +ATOM 60 CA ASP A 60 212.050 249.362 250.165 1.00 0.00 C +ATOM 61 CA LYS A 61 212.111 245.553 250.237 1.00 0.00 C +ATOM 62 CA ASP A 62 213.977 242.538 251.631 1.00 0.00 C +TER 63 ASP A 62 +END diff --git a/Bacteria/P71032/P71032.dcd b/Bacteria/P71032/P71032.dcd new file mode 100644 index 0000000000000000000000000000000000000000..7f58d7d45177e390652f345a487a314c7b6ffcf5 --- /dev/null +++ b/Bacteria/P71032/P71032.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fc8330b97c8dc6f2d2e610d071f3a711ee572f5a1b126725b4a956d022afdaaf +size 6560276 diff --git a/Bacteria/P71032/top.pdb b/Bacteria/P71032/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..14cfcbb522a8d45be452e845dc739e9eaa90c1a5 --- /dev/null +++ b/Bacteria/P71032/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 1 263.088 215.759 256.108 1.00 0.00 C +ATOM 2 CA THR A 2 262.350 219.291 257.331 1.00 0.00 C +ATOM 3 CA ASN A 3 262.367 221.691 260.290 1.00 0.00 C +ATOM 4 CA LYS A 4 264.784 221.612 263.234 1.00 0.00 C +ATOM 5 CA ASN A 5 267.392 224.373 262.934 1.00 0.00 C +ATOM 6 CA THR A 6 269.204 227.615 262.082 1.00 0.00 C +ATOM 7 CA SER A 7 267.438 229.097 259.048 1.00 0.00 C +ATOM 8 CA LYS A 8 265.262 228.737 255.942 1.00 0.00 C +ATOM 9 CA ASP A 9 267.062 229.549 252.683 1.00 0.00 C +ATOM 10 CA MET A 10 265.967 232.680 250.808 1.00 0.00 C +ATOM 11 CA HIS A 11 263.740 233.933 247.982 1.00 0.00 C +ATOM 12 CA LYS A 12 263.464 237.723 247.707 1.00 0.00 C +ATOM 13 CA ASN A 13 259.784 238.710 247.739 1.00 0.00 C +ATOM 14 CA ALA A 14 257.262 239.869 250.349 1.00 0.00 C +ATOM 15 CA PRO A 15 256.316 243.461 249.504 1.00 0.00 C +ATOM 16 CA LYS A 16 253.249 244.002 247.309 1.00 0.00 C +ATOM 17 CA GLY A 17 249.871 245.742 247.597 1.00 0.00 C +ATOM 18 CA HIS A 18 248.041 248.136 245.266 1.00 0.00 C +ATOM 19 CA ASN A 19 247.081 251.101 243.075 1.00 0.00 C +ATOM 20 CA PRO A 20 246.129 252.037 239.506 1.00 0.00 C +ATOM 21 CA GLY A 21 242.930 250.669 237.955 1.00 0.00 C +ATOM 22 CA GLN A 22 243.021 249.354 234.380 1.00 0.00 C +ATOM 23 CA PRO A 23 243.511 251.910 231.598 1.00 0.00 C +ATOM 24 CA GLU A 24 246.709 253.981 231.557 1.00 0.00 C +ATOM 25 CA PRO A 25 246.701 257.564 232.851 1.00 0.00 C +ATOM 26 CA LEU A 26 246.050 259.131 236.263 1.00 0.00 C +ATOM 27 CA SER A 27 248.362 259.368 239.281 1.00 0.00 C +ATOM 28 CA GLY A 28 247.705 262.117 241.836 1.00 0.00 C +ATOM 29 CA SER A 29 247.295 260.298 245.159 1.00 0.00 C +ATOM 30 CA LYS A 30 244.616 261.058 247.760 1.00 0.00 C +ATOM 31 CA LYS A 31 241.042 260.308 248.843 1.00 0.00 C +ATOM 32 CA VAL A 32 239.387 257.306 250.507 1.00 0.00 C +ATOM 33 CA LYS A 33 239.210 253.653 251.576 1.00 0.00 C +ATOM 34 CA ASN A 34 239.696 250.761 254.008 1.00 0.00 C +ATOM 35 CA ARG A 35 240.513 249.489 257.505 1.00 0.00 C +ATOM 36 CA ASN A 36 240.405 251.663 260.633 1.00 0.00 C +ATOM 37 CA HIS A 37 240.732 255.428 261.116 1.00 0.00 C +ATOM 38 CA THR A 38 241.672 259.119 261.193 1.00 0.00 C +ATOM 39 CA ARG A 39 242.672 260.954 258.008 1.00 0.00 C +ATOM 40 CA GLN A 40 243.739 264.551 258.670 1.00 0.00 C +ATOM 41 CA LYS A 41 242.217 267.548 256.877 1.00 0.00 C +ATOM 42 CA HIS A 42 240.193 266.375 253.870 1.00 0.00 C +ATOM 43 CA ASN A 43 238.324 268.902 251.716 1.00 0.00 C +ATOM 44 CA SER A 44 238.194 272.621 252.534 1.00 0.00 C +ATOM 45 CA SER A 45 239.526 275.268 250.139 1.00 0.00 C +ATOM 46 CA HIS A 46 243.236 275.474 249.297 1.00 0.00 C +ATOM 47 CA ASP A 47 245.177 278.632 248.414 1.00 0.00 C +ATOM 48 CA MET A 48 247.318 281.379 249.958 1.00 0.00 C +TER 49 MET A 48 +END diff --git a/Bacteria/P72390/P72390.dcd b/Bacteria/P72390/P72390.dcd new file mode 100644 index 0000000000000000000000000000000000000000..811242b5ab22d01c2019e9238bb7648c150b819f --- /dev/null +++ b/Bacteria/P72390/P72390.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:09c5f68555c9b6a5f81f17c81c392dcc39821f39dd850d39d5c94c46940fab1f +size 15440276 diff --git a/Bacteria/P72390/top.pdb b/Bacteria/P72390/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a604e33edfa61e9a309292229145d850031d4bd6 --- /dev/null +++ b/Bacteria/P72390/top.pdb @@ -0,0 +1,126 @@ +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 ALA A 1 218.441 279.562 289.782 1.00 0.00 C +ATOM 2 CA GLU A 2 215.789 279.221 287.069 1.00 0.00 C +ATOM 3 CA ARG A 3 215.928 282.449 285.050 1.00 0.00 C +ATOM 4 CA ARG A 4 213.620 285.208 286.308 1.00 0.00 C +ATOM 5 CA GLY A 5 211.104 288.036 285.877 1.00 0.00 C +ATOM 6 CA THR A 6 212.534 291.523 285.315 1.00 0.00 C +ATOM 7 CA ALA A 7 210.800 294.875 284.795 1.00 0.00 C +ATOM 8 CA GLY A 8 208.096 297.103 283.298 1.00 0.00 C +ATOM 9 CA GLY A 9 205.088 295.474 281.619 1.00 0.00 C +ATOM 10 CA GLU A 10 204.624 294.232 278.048 1.00 0.00 C +ATOM 11 CA ARG A 11 202.977 297.028 276.051 1.00 0.00 C +ATOM 12 CA GLY A 12 202.351 296.427 272.341 1.00 0.00 C +ATOM 13 CA LEU A 13 205.443 294.616 271.046 1.00 0.00 C +ATOM 14 CA GLY A 14 204.474 291.268 269.507 1.00 0.00 C +ATOM 15 CA PRO A 15 201.257 289.514 268.462 1.00 0.00 C +ATOM 16 CA PRO A 16 198.029 288.721 266.600 1.00 0.00 C +ATOM 17 CA LEU A 17 194.540 289.469 265.264 1.00 0.00 C +ATOM 18 CA PRO A 18 191.961 288.033 267.672 1.00 0.00 C +ATOM 19 CA VAL A 19 192.433 284.256 267.825 1.00 0.00 C +ATOM 20 CA HIS A 20 193.868 281.717 265.372 1.00 0.00 C +ATOM 21 CA ASP A 21 197.086 279.839 264.574 1.00 0.00 C +ATOM 22 CA ALA A 22 200.224 280.658 266.574 1.00 0.00 C +ATOM 23 CA VAL A 23 203.200 280.705 264.195 1.00 0.00 C +ATOM 24 CA PRO A 24 204.735 278.021 261.968 1.00 0.00 C +ATOM 25 CA ALA A 25 205.531 274.363 261.259 1.00 0.00 C +ATOM 26 CA ARG A 26 207.442 271.138 261.936 1.00 0.00 C +ATOM 27 CA HIS A 27 208.325 270.729 265.620 1.00 0.00 C +ATOM 28 CA PRO A 28 212.019 270.070 266.284 1.00 0.00 C +ATOM 29 CA ARG A 29 214.995 268.086 267.596 1.00 0.00 C +ATOM 30 CA ARG A 30 217.537 267.485 264.822 1.00 0.00 C +ATOM 31 CA ARG A 31 221.194 267.680 265.870 1.00 0.00 C +ATOM 32 CA THR A 32 222.327 271.262 265.237 1.00 0.00 C +ATOM 33 CA ALA A 33 223.994 272.393 262.003 1.00 0.00 C +ATOM 34 CA ALA A 34 223.017 272.713 258.334 1.00 0.00 C +ATOM 35 CA ARG A 35 220.941 269.712 257.240 1.00 0.00 C +ATOM 36 CA ARG A 36 222.686 266.555 256.013 1.00 0.00 C +ATOM 37 CA THR A 37 225.334 265.853 253.365 1.00 0.00 C +ATOM 38 CA GLY A 38 226.553 266.758 249.871 1.00 0.00 C +ATOM 39 CA ILE A 39 225.351 264.098 247.423 1.00 0.00 C +ATOM 40 CA GLY A 40 223.303 260.927 246.901 1.00 0.00 C +ATOM 41 CA ARG A 41 219.804 259.497 246.423 1.00 0.00 C +ATOM 42 CA ARG A 42 217.355 256.596 246.739 1.00 0.00 C +ATOM 43 CA ALA A 43 218.854 254.032 249.126 1.00 0.00 C +ATOM 44 CA VAL A 44 219.906 250.643 247.738 1.00 0.00 C +ATOM 45 CA GLU A 45 221.639 247.506 246.444 1.00 0.00 C +ATOM 46 CA ARG A 46 221.757 243.833 245.439 1.00 0.00 C +ATOM 47 CA PRO A 47 220.637 240.319 244.484 1.00 0.00 C +ATOM 48 CA GLY A 48 219.400 238.693 241.268 1.00 0.00 C +ATOM 49 CA ARG A 49 219.061 238.904 237.479 1.00 0.00 C +ATOM 50 CA ARG A 50 219.938 236.208 234.935 1.00 0.00 C +ATOM 51 CA VAL A 51 222.009 235.122 231.927 1.00 0.00 C +ATOM 52 CA LEU A 52 224.693 232.422 232.068 1.00 0.00 C +ATOM 53 CA PRO A 53 227.531 233.157 229.635 1.00 0.00 C +ATOM 54 CA ASP A 54 228.227 236.713 228.458 1.00 0.00 C +ATOM 55 CA PRO A 55 230.988 239.205 229.283 1.00 0.00 C +ATOM 56 CA ARG A 56 230.681 240.620 232.807 1.00 0.00 C +ATOM 57 CA ARG A 57 228.335 239.070 235.377 1.00 0.00 C +ATOM 58 CA ALA A 58 227.147 237.360 238.568 1.00 0.00 C +ATOM 59 CA LEU A 59 226.341 233.671 238.060 1.00 0.00 C +ATOM 60 CA ARG A 60 225.610 229.937 238.254 1.00 0.00 C +ATOM 61 CA GLY A 61 228.973 228.244 238.836 1.00 0.00 C +ATOM 62 CA GLY A 62 232.778 228.057 238.928 1.00 0.00 C +ATOM 63 CA ARG A 63 236.536 227.432 238.918 1.00 0.00 C +ATOM 64 CA GLY A 64 239.089 225.415 236.935 1.00 0.00 C +ATOM 65 CA ARG A 65 241.567 226.707 234.346 1.00 0.00 C +ATOM 66 CA ALA A 66 243.454 227.721 231.195 1.00 0.00 C +ATOM 67 CA GLY A 67 247.140 228.166 232.051 1.00 0.00 C +ATOM 68 CA ARG A 68 249.455 227.106 234.885 1.00 0.00 C +ATOM 69 CA LEU A 69 252.710 227.834 236.728 1.00 0.00 C +ATOM 70 CA ARG A 70 253.032 231.436 237.927 1.00 0.00 C +ATOM 71 CA GLY A 71 253.799 235.167 237.982 1.00 0.00 C +ATOM 72 CA GLU A 72 257.418 235.430 236.821 1.00 0.00 C +ATOM 73 CA VAL A 73 260.591 233.454 237.557 1.00 0.00 C +ATOM 74 CA ARG A 74 262.316 233.080 234.180 1.00 0.00 C +ATOM 75 CA ARG A 75 264.431 233.925 231.126 1.00 0.00 C +ATOM 76 CA HIS A 76 268.136 234.452 231.839 1.00 0.00 C +ATOM 77 CA LEU A 77 271.446 232.626 231.361 1.00 0.00 C +ATOM 78 CA ASP A 78 274.234 232.598 233.958 1.00 0.00 C +ATOM 79 CA PRO A 79 277.528 230.958 232.971 1.00 0.00 C +ATOM 80 CA ASP A 80 280.711 233.009 233.395 1.00 0.00 C +ATOM 81 CA ALA A 81 282.529 235.095 236.015 1.00 0.00 C +ATOM 82 CA PRO A 82 285.431 236.871 237.728 1.00 0.00 C +ATOM 83 CA LEU A 83 288.476 238.963 236.796 1.00 0.00 C +ATOM 84 CA PRO A 84 290.535 241.237 239.055 1.00 0.00 C +ATOM 85 CA PRO A 85 288.669 244.496 239.698 1.00 0.00 C +ATOM 86 CA GLY A 86 290.701 247.311 241.267 1.00 0.00 C +ATOM 87 CA ARG A 87 293.363 249.323 239.428 1.00 0.00 C +ATOM 88 CA ARG A 88 296.447 247.086 239.450 1.00 0.00 C +ATOM 89 CA GLY A 89 298.670 244.093 240.238 1.00 0.00 C +ATOM 90 CA ARG A 90 299.705 240.747 241.738 1.00 0.00 C +ATOM 91 CA PRO A 91 303.317 239.658 241.208 1.00 0.00 C +ATOM 92 CA ALA A 92 305.681 240.793 238.445 1.00 0.00 C +ATOM 93 CA ASP A 93 308.983 242.079 239.845 1.00 0.00 C +ATOM 94 CA PRO A 94 311.038 241.661 243.026 1.00 0.00 C +ATOM 95 CA PRO A 95 311.887 240.945 246.671 1.00 0.00 C +ATOM 96 CA LEU A 96 311.565 238.130 249.218 1.00 0.00 C +ATOM 97 CA VAL A 97 313.697 235.834 251.384 1.00 0.00 C +ATOM 98 CA GLN A 98 312.679 233.903 254.507 1.00 0.00 C +ATOM 99 CA LEU A 99 309.283 234.503 256.126 1.00 0.00 C +ATOM 100 CA PRO A 100 307.185 231.380 255.528 1.00 0.00 C +ATOM 101 CA HIS A 101 308.782 228.404 253.764 1.00 0.00 C +ATOM 102 CA HIS A 102 308.899 225.313 251.540 1.00 0.00 C +ATOM 103 CA ARG A 103 306.871 224.293 248.481 1.00 0.00 C +ATOM 104 CA PRO A 104 304.649 227.145 247.277 1.00 0.00 C +ATOM 105 CA ARG A 105 301.191 228.055 245.961 1.00 0.00 C +ATOM 106 CA ARG A 106 300.672 230.873 243.450 1.00 0.00 C +ATOM 107 CA ARG A 107 298.066 233.608 242.955 1.00 0.00 C +ATOM 108 CA GLY A 108 297.744 236.456 245.466 1.00 0.00 C +ATOM 109 CA GLY A 109 294.674 237.891 247.208 1.00 0.00 C +ATOM 110 CA ASP A 110 290.974 236.985 247.252 1.00 0.00 C +ATOM 111 CA ALA A 111 287.523 236.755 245.652 1.00 0.00 C +ATOM 112 CA ALA A 112 287.032 233.597 243.577 1.00 0.00 C +ATOM 113 CA GLY A 113 289.786 231.216 242.452 1.00 0.00 C +ATOM 114 CA PRO A 114 289.560 227.534 241.503 1.00 0.00 C +ATOM 115 CA LEU A 115 290.074 225.349 238.424 1.00 0.00 C +ATOM 116 CA ARG A 116 291.065 221.842 239.535 1.00 0.00 C +ATOM 117 CA GLN A 117 293.874 222.085 242.097 1.00 0.00 C +ATOM 118 CA GLY A 118 295.423 225.397 243.167 1.00 0.00 C +ATOM 119 CA PRO A 119 294.920 225.970 246.900 1.00 0.00 C +ATOM 120 CA ARG A 120 295.768 228.801 249.305 1.00 0.00 C +ATOM 121 CA GLY A 121 294.933 231.996 251.204 1.00 0.00 C +ATOM 122 CA VAL A 122 293.272 232.227 254.626 1.00 0.00 C +TER 123 VAL A 122 +END diff --git a/Bacteria/P73656/P73656.dcd b/Bacteria/P73656/P73656.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c71f998d5703b8e6c65822b65a17036ac15a2de7 --- /dev/null +++ b/Bacteria/P73656/P73656.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:20508f76c9842169f8e849b15ffff1f8445cca2b4eef5eead60d2151cf4be6d5 +size 7400276 diff --git a/Bacteria/P73656/top.pdb b/Bacteria/P73656/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c2d928c81be8026f4818435232e78d64d03a4974 --- /dev/null +++ b/Bacteria/P73656/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 1 251.045 223.500 260.806 1.00 0.00 C +ATOM 2 CA ALA A 2 247.828 223.530 258.763 1.00 0.00 C +ATOM 3 CA LYS A 3 245.771 226.551 257.687 1.00 0.00 C +ATOM 4 CA ARG A 4 246.236 229.941 256.012 1.00 0.00 C +ATOM 5 CA ARG A 5 248.366 232.017 253.631 1.00 0.00 C +ATOM 6 CA ASN A 6 248.312 234.910 251.152 1.00 0.00 C +ATOM 7 CA LEU A 7 246.906 238.019 252.847 1.00 0.00 C +ATOM 8 CA LYS A 8 246.100 236.887 256.394 1.00 0.00 C +ATOM 9 CA LYS A 9 242.866 238.288 257.841 1.00 0.00 C +ATOM 10 CA GLU A 10 239.998 237.509 255.457 1.00 0.00 C +ATOM 11 CA LYS A 11 237.283 235.433 257.141 1.00 0.00 C +ATOM 12 CA ALA A 12 233.734 236.755 256.718 1.00 0.00 C +ATOM 13 CA GLU A 13 230.364 235.512 255.447 1.00 0.00 C +ATOM 14 CA ARG A 14 228.409 235.366 252.180 1.00 0.00 C +ATOM 15 CA ASN A 15 227.582 236.361 248.596 1.00 0.00 C +ATOM 16 CA ARG A 16 226.143 239.778 247.718 1.00 0.00 C +ATOM 17 CA ALA A 17 226.885 243.169 246.148 1.00 0.00 C +ATOM 18 CA TYR A 18 228.168 245.938 243.867 1.00 0.00 C +ATOM 19 CA ALA A 19 230.069 248.660 245.737 1.00 0.00 C +ATOM 20 CA ARG A 20 233.403 247.902 247.419 1.00 0.00 C +ATOM 21 CA GLN A 21 235.641 245.449 249.287 1.00 0.00 C +ATOM 22 CA PHE A 22 235.054 241.804 248.347 1.00 0.00 C +ATOM 23 CA ARG A 23 237.204 240.962 245.316 1.00 0.00 C +ATOM 24 CA SER A 24 239.786 243.457 244.041 1.00 0.00 C +ATOM 25 CA ALA A 25 241.127 245.069 240.860 1.00 0.00 C +ATOM 26 CA SER A 26 243.543 247.945 240.222 1.00 0.00 C +ATOM 27 CA ARG A 27 245.777 248.316 243.286 1.00 0.00 C +ATOM 28 CA THR A 28 246.078 251.800 244.797 1.00 0.00 C +ATOM 29 CA GLN A 29 248.562 254.038 242.972 1.00 0.00 C +ATOM 30 CA ASN A 30 248.087 257.632 244.145 1.00 0.00 C +ATOM 31 CA ARG A 31 251.496 259.268 243.674 1.00 0.00 C +ATOM 32 CA ARG A 32 253.474 257.091 241.253 1.00 0.00 C +ATOM 33 CA TYR A 33 256.589 255.392 242.641 1.00 0.00 C +ATOM 34 CA SER A 34 258.625 252.946 240.547 1.00 0.00 C +ATOM 35 CA GLY A 35 260.510 249.963 241.985 1.00 0.00 C +ATOM 36 CA GLY A 36 264.227 250.589 241.431 1.00 0.00 C +ATOM 37 CA GLN A 37 266.897 251.936 243.791 1.00 0.00 C +ATOM 38 CA ARG A 38 270.167 250.794 245.380 1.00 0.00 C +ATOM 39 CA GLN A 39 273.308 252.949 245.447 1.00 0.00 C +ATOM 40 CA GLN A 40 272.454 256.527 246.439 1.00 0.00 C +ATOM 41 CA GLY A 41 273.129 259.615 248.567 1.00 0.00 C +ATOM 42 CA ASP A 42 271.987 260.006 252.181 1.00 0.00 C +ATOM 43 CA SER A 43 268.668 261.866 252.394 1.00 0.00 C +ATOM 44 CA ASN A 44 266.690 260.246 255.219 1.00 0.00 C +ATOM 45 CA GLY A 45 262.963 260.808 254.663 1.00 0.00 C +ATOM 46 CA SER A 46 259.525 259.629 255.805 1.00 0.00 C +ATOM 47 CA SER A 47 257.121 261.221 253.314 1.00 0.00 C +ATOM 48 CA ASN A 48 256.082 264.696 252.148 1.00 0.00 C +ATOM 49 CA ASN A 49 254.071 266.734 254.662 1.00 0.00 C +ATOM 50 CA GLY A 50 255.335 270.328 254.658 1.00 0.00 C +ATOM 51 CA ALA A 51 257.057 272.367 257.378 1.00 0.00 C +ATOM 52 CA ALA A 52 260.117 274.311 256.205 1.00 0.00 C +ATOM 53 CA SER A 53 261.414 277.880 255.901 1.00 0.00 C +ATOM 54 CA ASP A 54 265.119 278.758 255.767 1.00 0.00 C +ATOM 55 CA VAL A 55 266.648 281.580 253.714 1.00 0.00 C +TER 56 VAL A 55 +END diff --git a/Bacteria/P81720/P81720.dcd b/Bacteria/P81720/P81720.dcd new file mode 100644 index 0000000000000000000000000000000000000000..df317cc91ac2d6659ed0708c33011eece9f9d607 --- /dev/null +++ b/Bacteria/P81720/P81720.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c8bc096c139043823f37c07cef6095dddda407748fb8cb3ebe70b5980bec808d +size 5240276 diff --git a/Bacteria/P81720/top.pdb b/Bacteria/P81720/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c890c397163f6fef96f180455ef3aecc3534c1ba --- /dev/null +++ b/Bacteria/P81720/top.pdb @@ -0,0 +1,41 @@ +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 ASN A 1 240.092 260.039 234.865 1.00 0.00 C +ATOM 2 CA ASP A 2 237.677 257.682 233.098 1.00 0.00 C +ATOM 3 CA GLY A 3 234.814 256.625 235.379 1.00 0.00 C +ATOM 4 CA ASN A 4 235.195 254.808 238.706 1.00 0.00 C +ATOM 5 CA GLY A 5 234.781 251.427 240.414 1.00 0.00 C +ATOM 6 CA ARG A 6 235.517 248.046 242.008 1.00 0.00 C +ATOM 7 CA ASP A 7 237.907 247.984 244.975 1.00 0.00 C +ATOM 8 CA SER A 8 238.782 249.428 248.390 1.00 0.00 C +ATOM 9 CA ASP A 9 239.579 251.802 251.261 1.00 0.00 C +ATOM 10 CA PRO A 10 241.587 251.022 254.404 1.00 0.00 C +ATOM 11 CA HIS A 11 243.827 248.479 256.145 1.00 0.00 C +ATOM 12 CA ASP A 12 243.926 245.255 258.173 1.00 0.00 C +ATOM 13 CA PRO A 13 247.203 243.314 258.224 1.00 0.00 C +ATOM 14 CA GLY A 14 250.991 243.137 257.854 1.00 0.00 C +ATOM 15 CA ASP A 15 254.772 243.021 258.312 1.00 0.00 C +ATOM 16 CA TRP A 16 256.692 242.784 261.595 1.00 0.00 C +ATOM 17 CA THR A 17 259.565 244.740 263.154 1.00 0.00 C +ATOM 18 CA THR A 18 259.765 248.444 264.022 1.00 0.00 C +ATOM 19 CA ALA A 19 262.182 251.389 264.072 1.00 0.00 C +ATOM 20 CA GLY A 20 263.762 251.494 260.607 1.00 0.00 C +ATOM 21 CA GLN A 21 262.280 253.210 257.545 1.00 0.00 C +ATOM 22 CA CYS A 22 260.885 252.548 254.062 1.00 0.00 C +ATOM 23 CA GLY A 23 263.235 250.240 252.147 1.00 0.00 C +ATOM 24 CA LEU A 24 264.992 247.129 250.824 1.00 0.00 C +ATOM 25 CA TRP A 25 265.220 246.593 247.058 1.00 0.00 C +ATOM 26 CA GLN A 26 263.729 243.154 246.378 1.00 0.00 C +ATOM 27 CA PRO A 27 260.470 243.148 244.405 1.00 0.00 C +ATOM 28 CA ALA A 28 256.740 243.227 245.181 1.00 0.00 C +ATOM 29 CA ARG A 29 255.725 246.100 247.468 1.00 0.00 C +ATOM 30 CA ASN A 30 256.052 249.251 249.584 1.00 0.00 C +ATOM 31 CA SER A 31 253.452 250.973 251.774 1.00 0.00 C +ATOM 32 CA GLN A 32 250.461 253.279 251.272 1.00 0.00 C +ATOM 33 CA HIS A 33 249.205 253.311 247.675 1.00 0.00 C +ATOM 34 CA TRP A 34 246.231 255.534 246.822 1.00 0.00 C +ATOM 35 CA THR A 35 244.045 257.929 244.821 1.00 0.00 C +ATOM 36 CA LEU A 36 241.018 256.830 242.784 1.00 0.00 C +ATOM 37 CA VAL A 37 237.646 256.622 244.545 1.00 0.00 C +TER 38 VAL A 37 +END diff --git a/Bacteria/P94638/P94638.dcd b/Bacteria/P94638/P94638.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d986c1e78413e89b18a36c028928937c0e72f8f0 --- /dev/null +++ b/Bacteria/P94638/P94638.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b972eb44e8ea1fce772900d757f14bf5f7f01ef9db9db80dd1616ab33123d516 +size 16760276 diff --git a/Bacteria/P94638/top.pdb b/Bacteria/P94638/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..cca05820a6538e2ea9c25755db66def1d6534d9d --- /dev/null +++ b/Bacteria/P94638/top.pdb @@ -0,0 +1,137 @@ +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 1 274.622 212.783 256.527 1.00 0.00 C +ATOM 2 CA ARG A 2 272.039 213.445 259.249 1.00 0.00 C +ATOM 3 CA VAL A 3 273.608 213.371 262.719 1.00 0.00 C +ATOM 4 CA VAL A 4 276.747 214.925 264.220 1.00 0.00 C +ATOM 5 CA ARG A 5 279.506 215.095 266.842 1.00 0.00 C +ATOM 6 CA GLN A 6 282.574 216.764 268.365 1.00 0.00 C +ATOM 7 CA ARG A 7 283.362 219.841 266.261 1.00 0.00 C +ATOM 8 CA ASP A 8 281.974 223.366 266.667 1.00 0.00 C +ATOM 9 CA SER A 9 279.258 225.664 268.030 1.00 0.00 C +ATOM 10 CA ALA A 10 279.358 228.474 270.601 1.00 0.00 C +ATOM 11 CA THR A 11 275.691 229.163 271.371 1.00 0.00 C +ATOM 12 CA LYS A 12 275.418 232.961 271.230 1.00 0.00 C +ATOM 13 CA ARG A 13 275.107 236.698 271.902 1.00 0.00 C +ATOM 14 CA PRO A 14 276.449 240.187 272.640 1.00 0.00 C +ATOM 15 CA ALA A 15 276.509 243.950 272.050 1.00 0.00 C +ATOM 16 CA ARG A 16 276.571 246.003 268.842 1.00 0.00 C +ATOM 17 CA ARG A 17 275.939 246.703 265.150 1.00 0.00 C +ATOM 18 CA LYS A 18 276.428 246.871 261.375 1.00 0.00 C +ATOM 19 CA ALA A 19 279.639 246.606 259.341 1.00 0.00 C +ATOM 20 CA ALA A 20 283.136 247.086 257.909 1.00 0.00 C +ATOM 21 CA THR A 21 285.599 244.408 259.038 1.00 0.00 C +ATOM 22 CA ALA A 22 288.289 243.790 256.411 1.00 0.00 C +ATOM 23 CA ALA A 23 292.070 243.355 256.591 1.00 0.00 C +ATOM 24 CA ALA A 24 293.986 245.163 259.343 1.00 0.00 C +ATOM 25 CA ARG A 25 296.943 246.929 257.711 1.00 0.00 C +ATOM 26 CA ALA A 26 298.073 249.705 255.360 1.00 0.00 C +ATOM 27 CA GLU A 27 297.333 250.562 251.722 1.00 0.00 C +ATOM 28 CA PRO A 28 295.549 248.124 249.400 1.00 0.00 C +ATOM 29 CA GLN A 29 293.836 248.892 246.085 1.00 0.00 C +ATOM 30 CA GLN A 30 292.804 246.026 243.796 1.00 0.00 C +ATOM 31 CA LEU A 31 291.044 242.866 244.993 1.00 0.00 C +ATOM 32 CA VAL A 32 287.920 240.920 245.980 1.00 0.00 C +ATOM 33 CA ASN A 33 284.289 241.458 246.998 1.00 0.00 C +ATOM 34 CA GLU A 34 282.290 244.696 247.198 1.00 0.00 C +ATOM 35 CA ARG A 35 281.864 248.208 248.612 1.00 0.00 C +ATOM 36 CA ALA A 36 282.007 249.781 252.079 1.00 0.00 C +ATOM 37 CA THR A 37 283.454 252.933 253.657 1.00 0.00 C +ATOM 38 CA ALA A 38 280.653 255.387 254.462 1.00 0.00 C +ATOM 39 CA PRO A 39 277.207 254.884 256.008 1.00 0.00 C +ATOM 40 CA GLY A 40 273.568 254.892 254.879 1.00 0.00 C +ATOM 41 CA ARG A 41 269.810 254.410 254.481 1.00 0.00 C +ATOM 42 CA THR A 42 267.128 256.204 252.454 1.00 0.00 C +ATOM 43 CA GLN A 43 264.983 259.330 252.823 1.00 0.00 C +ATOM 44 CA THR A 44 263.176 262.683 252.725 1.00 0.00 C +ATOM 45 CA SER A 45 264.935 264.969 250.236 1.00 0.00 C +ATOM 46 CA PRO A 46 265.965 268.017 252.276 1.00 0.00 C +ATOM 47 CA GLY A 47 267.111 271.649 252.179 1.00 0.00 C +ATOM 48 CA ALA A 48 270.514 273.328 252.527 1.00 0.00 C +ATOM 49 CA ASP A 49 271.901 272.024 255.827 1.00 0.00 C +ATOM 50 CA SER A 50 275.604 271.406 256.478 1.00 0.00 C +ATOM 51 CA ARG A 51 279.007 271.714 254.793 1.00 0.00 C +ATOM 52 CA LYS A 52 280.590 271.913 251.334 1.00 0.00 C +ATOM 53 CA HIS A 53 279.827 273.076 247.786 1.00 0.00 C +ATOM 54 CA PRO A 54 281.016 275.499 245.097 1.00 0.00 C +ATOM 55 CA LYS A 55 283.009 276.834 242.137 1.00 0.00 C +ATOM 56 CA LEU A 56 284.559 276.773 238.657 1.00 0.00 C +ATOM 57 CA VAL A 57 282.276 274.529 236.591 1.00 0.00 C +ATOM 58 CA THR A 58 281.016 276.263 233.441 1.00 0.00 C +ATOM 59 CA GLY A 59 278.846 278.192 230.974 1.00 0.00 C +ATOM 60 CA GLY A 60 275.821 280.330 230.085 1.00 0.00 C +ATOM 61 CA LYS A 61 272.418 279.404 228.642 1.00 0.00 C +ATOM 62 CA PRO A 62 269.379 277.936 226.874 1.00 0.00 C +ATOM 63 CA ARG A 63 266.465 275.487 227.044 1.00 0.00 C +ATOM 64 CA ARG A 64 262.815 276.502 226.642 1.00 0.00 C +ATOM 65 CA ASN A 65 259.278 275.091 226.765 1.00 0.00 C +ATOM 66 CA PHE A 66 257.333 277.253 229.227 1.00 0.00 C +ATOM 67 CA GLY A 67 256.437 277.877 232.877 1.00 0.00 C +ATOM 68 CA HIS A 68 253.455 278.029 235.243 1.00 0.00 C +ATOM 69 CA ARG A 69 252.635 276.428 238.601 1.00 0.00 C +ATOM 70 CA CYS A 70 249.084 276.289 239.976 1.00 0.00 C +ATOM 71 CA GLN A 71 248.807 273.207 242.199 1.00 0.00 C +ATOM 72 CA ARG A 72 250.933 271.752 245.006 1.00 0.00 C +ATOM 73 CA ASN A 73 251.203 273.652 248.297 1.00 0.00 C +ATOM 74 CA ARG A 74 254.794 273.323 249.528 1.00 0.00 C +ATOM 75 CA ARG A 75 254.848 273.038 253.327 1.00 0.00 C +ATOM 76 CA ASN A 76 254.965 276.592 254.695 1.00 0.00 C +ATOM 77 CA ASN A 77 253.882 279.284 257.164 1.00 0.00 C +ATOM 78 CA PRO A 78 254.391 280.162 260.836 1.00 0.00 C +ATOM 79 CA THR A 79 251.304 281.612 262.534 1.00 0.00 C +ATOM 80 CA THR A 80 249.660 284.975 263.239 1.00 0.00 C +ATOM 81 CA ALA A 81 247.598 287.241 260.974 1.00 0.00 C +ATOM 82 CA ILE A 82 246.989 289.592 258.038 1.00 0.00 C +ATOM 83 CA THR A 83 246.063 290.401 254.432 1.00 0.00 C +ATOM 84 CA PRO A 84 246.014 287.178 252.400 1.00 0.00 C +ATOM 85 CA GLY A 85 248.189 284.348 251.067 1.00 0.00 C +ATOM 86 CA ALA A 86 246.679 280.941 250.274 1.00 0.00 C +ATOM 87 CA SER A 87 245.257 279.045 247.291 1.00 0.00 C +ATOM 88 CA ARG A 88 244.795 275.423 246.205 1.00 0.00 C +ATOM 89 CA GLN A 89 242.703 273.079 248.360 1.00 0.00 C +ATOM 90 CA LEU A 90 239.375 272.052 249.905 1.00 0.00 C +ATOM 91 CA ARG A 91 236.541 271.573 247.403 1.00 0.00 C +ATOM 92 CA GLY A 92 235.384 273.694 244.457 1.00 0.00 C +ATOM 93 CA ASP A 93 234.834 273.152 240.727 1.00 0.00 C +ATOM 94 CA GLY A 94 231.971 270.644 240.536 1.00 0.00 C +ATOM 95 CA GLN A 95 228.202 270.969 240.085 1.00 0.00 C +ATOM 96 CA ARG A 96 226.412 267.902 241.463 1.00 0.00 C +ATOM 97 CA GLY A 97 225.879 264.461 239.915 1.00 0.00 C +ATOM 98 CA GLN A 98 225.811 261.219 241.915 1.00 0.00 C +ATOM 99 CA LYS A 99 227.252 257.869 243.017 1.00 0.00 C +ATOM 100 CA THR A 100 227.882 254.426 244.522 1.00 0.00 C +ATOM 101 CA SER A 101 227.638 250.727 245.402 1.00 0.00 C +ATOM 102 CA ARG A 102 224.011 249.561 245.384 1.00 0.00 C +ATOM 103 CA CYS A 103 222.858 246.045 244.474 1.00 0.00 C +ATOM 104 CA ARG A 104 223.031 243.124 246.914 1.00 0.00 C +ATOM 105 CA ARG A 105 221.340 240.399 248.971 1.00 0.00 C +ATOM 106 CA PRO A 106 218.487 237.963 249.636 1.00 0.00 C +ATOM 107 CA THR A 107 219.178 234.733 247.736 1.00 0.00 C +ATOM 108 CA SER A 108 216.563 232.077 246.946 1.00 0.00 C +ATOM 109 CA PRO A 109 214.574 229.503 248.930 1.00 0.00 C +ATOM 110 CA THR A 110 214.662 226.229 250.877 1.00 0.00 C +ATOM 111 CA ASN A 111 213.161 224.201 253.732 1.00 0.00 C +ATOM 112 CA ALA A 112 211.736 223.605 257.215 1.00 0.00 C +ATOM 113 CA HIS A 113 207.949 223.673 256.797 1.00 0.00 C +ATOM 114 CA SER A 114 206.095 225.871 254.297 1.00 0.00 C +ATOM 115 CA THR A 115 202.433 225.014 253.689 1.00 0.00 C +ATOM 116 CA ALA A 116 199.952 222.169 253.173 1.00 0.00 C +ATOM 117 CA THR A 117 196.911 220.849 255.052 1.00 0.00 C +ATOM 118 CA PRO A 118 193.418 219.898 256.238 1.00 0.00 C +ATOM 119 CA GLN A 119 190.950 217.407 254.750 1.00 0.00 C +ATOM 120 CA ALA A 120 189.350 214.982 252.285 1.00 0.00 C +ATOM 121 CA ARG A 121 187.045 214.914 249.252 1.00 0.00 C +ATOM 122 CA THR A 122 185.361 215.628 245.909 1.00 0.00 C +ATOM 123 CA PRO A 123 182.551 217.371 244.017 1.00 0.00 C +ATOM 124 CA ALA A 124 180.488 215.108 241.750 1.00 0.00 C +ATOM 125 CA LYS A 125 178.652 212.117 240.266 1.00 0.00 C +ATOM 126 CA ASP A 126 177.686 209.046 238.228 1.00 0.00 C +ATOM 127 CA ALA A 127 178.892 205.432 238.225 1.00 0.00 C +ATOM 128 CA LEU A 128 178.470 201.647 238.324 1.00 0.00 C +ATOM 129 CA ASN A 129 177.483 198.068 239.183 1.00 0.00 C +ATOM 130 CA PRO A 130 178.580 194.423 239.334 1.00 0.00 C +ATOM 131 CA GLY A 131 182.198 193.396 239.943 1.00 0.00 C +ATOM 132 CA ASN A 132 184.687 190.515 240.094 1.00 0.00 C +ATOM 133 CA ILE A 133 185.893 189.125 236.759 1.00 0.00 C +TER 134 ILE A 133 +END diff --git a/Bacteria/P95306/P95306.dcd b/Bacteria/P95306/P95306.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f92db6c672c04cbdbec3fe5f3fdca2b33a356b84 --- /dev/null +++ b/Bacteria/P95306/P95306.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4553cb2dadd92e73b33db80a3d9b73f9098a07cca277275e772ab81bd9951c81 +size 14600276 diff --git a/Bacteria/P95306/top.pdb b/Bacteria/P95306/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f170fe21402c5f250d0e27e4eddaa8aadd7fdac9 --- /dev/null +++ b/Bacteria/P95306/top.pdb @@ -0,0 +1,119 @@ +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 1 274.819 264.779 256.444 1.00 0.00 C +ATOM 2 CA PRO A 2 272.741 263.359 259.304 1.00 0.00 C +ATOM 3 CA PRO A 3 274.705 261.330 261.862 1.00 0.00 C +ATOM 4 CA ALA A 4 275.912 257.741 261.437 1.00 0.00 C +ATOM 5 CA PRO A 5 276.375 254.014 260.801 1.00 0.00 C +ATOM 6 CA PRO A 6 276.858 250.458 262.082 1.00 0.00 C +ATOM 7 CA LYS A 7 274.502 247.722 263.299 1.00 0.00 C +ATOM 8 CA PRO A 8 271.205 246.866 261.592 1.00 0.00 C +ATOM 9 CA SER A 9 268.245 246.186 259.292 1.00 0.00 C +ATOM 10 CA GLN A 10 269.212 247.330 255.788 1.00 0.00 C +ATOM 11 CA PRO A 11 268.527 249.048 252.458 1.00 0.00 C +ATOM 12 CA ALA A 12 268.570 246.374 249.744 1.00 0.00 C +ATOM 13 CA LEU A 13 269.874 243.116 251.229 1.00 0.00 C +ATOM 14 CA PRO A 14 269.112 241.016 254.315 1.00 0.00 C +ATOM 15 CA PRO A 15 265.902 239.761 255.938 1.00 0.00 C +ATOM 16 CA ARG A 16 263.407 242.279 257.334 1.00 0.00 C +ATOM 17 CA PRO A 17 260.592 244.574 258.486 1.00 0.00 C +ATOM 18 CA PRO A 18 261.023 248.350 258.751 1.00 0.00 C +ATOM 19 CA THR A 19 258.316 250.276 256.885 1.00 0.00 C +ATOM 20 CA PRO A 20 257.596 253.582 258.636 1.00 0.00 C +ATOM 21 CA PRO A 21 260.289 256.255 258.296 1.00 0.00 C +ATOM 22 CA ALA A 22 263.491 258.121 259.180 1.00 0.00 C +ATOM 23 CA VAL A 23 267.189 257.774 258.330 1.00 0.00 C +ATOM 24 CA PRO A 24 267.937 255.594 255.296 1.00 0.00 C +ATOM 25 CA ASN A 25 266.467 257.357 252.255 1.00 0.00 C +ATOM 26 CA PRO A 26 264.320 256.493 249.228 1.00 0.00 C +ATOM 27 CA PRO A 27 262.962 252.952 249.594 1.00 0.00 C +ATOM 28 CA ASN A 28 260.441 250.160 248.990 1.00 0.00 C +ATOM 29 CA PRO A 29 258.634 249.347 245.736 1.00 0.00 C +ATOM 30 CA PRO A 30 258.117 250.332 242.092 1.00 0.00 C +ATOM 31 CA ALA A 31 261.241 251.523 240.266 1.00 0.00 C +ATOM 32 CA PRO A 32 263.430 254.642 240.248 1.00 0.00 C +ATOM 33 CA PRO A 33 264.865 255.767 236.903 1.00 0.00 C +ATOM 34 CA LEU A 34 264.532 258.676 234.466 1.00 0.00 C +ATOM 35 CA ASP A 35 264.085 260.330 231.063 1.00 0.00 C +ATOM 36 CA ASN A 36 267.244 262.318 230.295 1.00 0.00 C +ATOM 37 CA SER A 37 266.785 265.671 228.545 1.00 0.00 C +ATOM 38 CA SER A 38 264.448 268.670 228.299 1.00 0.00 C +ATOM 39 CA PRO A 39 261.497 270.486 229.883 1.00 0.00 C +ATOM 40 CA ARG A 40 259.125 272.806 228.011 1.00 0.00 C +ATOM 41 CA LEU A 41 256.824 275.760 228.714 1.00 0.00 C +ATOM 42 CA PRO A 42 254.189 277.346 230.964 1.00 0.00 C +ATOM 43 CA THR A 43 250.938 275.369 231.147 1.00 0.00 C +ATOM 44 CA ALA A 44 249.226 271.994 230.701 1.00 0.00 C +ATOM 45 CA PRO A 45 248.118 268.543 231.876 1.00 0.00 C +ATOM 46 CA PRO A 46 246.633 266.372 234.632 1.00 0.00 C +ATOM 47 CA SER A 47 247.462 264.198 237.649 1.00 0.00 C +ATOM 48 CA PRO A 48 245.130 261.185 237.606 1.00 0.00 C +ATOM 49 CA PRO A 49 241.927 260.309 239.474 1.00 0.00 C +ATOM 50 CA ARG A 50 240.090 263.449 240.607 1.00 0.00 C +ATOM 51 CA LYS A 51 236.898 263.557 242.683 1.00 0.00 C +ATOM 52 CA PRO A 52 234.402 260.895 241.585 1.00 0.00 C +ATOM 53 CA ASN A 53 235.633 257.320 242.052 1.00 0.00 C +ATOM 54 CA PRO A 54 232.639 255.179 241.069 1.00 0.00 C +ATOM 55 CA PRO A 55 229.379 254.149 242.750 1.00 0.00 C +ATOM 56 CA ALA A 56 226.164 255.451 244.328 1.00 0.00 C +ATOM 57 CA PRO A 57 222.979 253.377 244.595 1.00 0.00 C +ATOM 58 CA ALA A 58 221.410 251.989 241.413 1.00 0.00 C +ATOM 59 CA ARG A 59 218.669 250.196 239.466 1.00 0.00 C +ATOM 60 CA ARG A 60 217.269 247.259 241.447 1.00 0.00 C +ATOM 61 CA ARG A 61 217.668 247.407 245.234 1.00 0.00 C +ATOM 62 CA ARG A 62 218.780 247.707 248.865 1.00 0.00 C +ATOM 63 CA THR A 63 222.497 248.361 249.388 1.00 0.00 C +ATOM 64 CA ALA A 64 225.660 250.421 249.909 1.00 0.00 C +ATOM 65 CA ALA A 65 226.645 253.379 252.099 1.00 0.00 C +ATOM 66 CA LEU A 66 228.101 254.373 255.476 1.00 0.00 C +ATOM 67 CA ARG A 67 229.688 257.824 255.176 1.00 0.00 C +ATOM 68 CA TYR A 68 232.578 259.838 253.725 1.00 0.00 C +ATOM 69 CA ARG A 69 235.072 261.278 256.220 1.00 0.00 C +ATOM 70 CA ARG A 70 236.758 259.436 259.097 1.00 0.00 C +ATOM 71 CA PRO A 71 239.205 257.693 261.441 1.00 0.00 C +ATOM 72 CA ARG A 72 242.182 255.906 259.874 1.00 0.00 C +ATOM 73 CA ASP A 73 243.497 252.503 258.777 1.00 0.00 C +ATOM 74 CA PRO A 74 243.592 248.773 258.003 1.00 0.00 C +ATOM 75 CA THR A 75 244.485 245.099 257.540 1.00 0.00 C +ATOM 76 CA GLY A 76 247.139 242.440 256.906 1.00 0.00 C +ATOM 77 CA VAL A 77 249.836 243.739 254.548 1.00 0.00 C +ATOM 78 CA GLN A 78 253.220 245.114 255.632 1.00 0.00 C +ATOM 79 CA VAL A 79 256.248 243.872 253.682 1.00 0.00 C +ATOM 80 CA PHE A 80 256.265 240.063 253.735 1.00 0.00 C +ATOM 81 CA ALA A 81 257.213 237.399 256.290 1.00 0.00 C +ATOM 82 CA ASP A 82 258.192 237.418 259.972 1.00 0.00 C +ATOM 83 CA THR A 83 256.964 237.441 263.578 1.00 0.00 C +ATOM 84 CA ALA A 84 256.281 240.193 266.123 1.00 0.00 C +ATOM 85 CA GLY A 85 253.836 239.445 268.948 1.00 0.00 C +ATOM 86 CA THR A 86 253.705 239.478 272.756 1.00 0.00 C +ATOM 87 CA GLY A 87 251.487 237.938 275.443 1.00 0.00 C +ATOM 88 CA ARG A 88 249.145 235.187 274.232 1.00 0.00 C +ATOM 89 CA PRO A 89 249.672 234.716 270.488 1.00 0.00 C +ATOM 90 CA ALA A 90 250.040 232.804 267.214 1.00 0.00 C +ATOM 91 CA ARG A 91 247.865 232.346 264.119 1.00 0.00 C +ATOM 92 CA ALA A 92 249.118 231.302 260.675 1.00 0.00 C +ATOM 93 CA ALA A 93 246.802 229.860 258.015 1.00 0.00 C +ATOM 94 CA PHE A 94 246.167 229.210 254.315 1.00 0.00 C +ATOM 95 CA ARG A 95 243.498 229.425 251.605 1.00 0.00 C +ATOM 96 CA HIS A 96 245.185 228.128 248.445 1.00 0.00 C +ATOM 97 CA SER A 97 248.072 227.079 246.191 1.00 0.00 C +ATOM 98 CA ARG A 98 248.135 229.509 243.257 1.00 0.00 C +ATOM 99 CA ARG A 99 245.838 232.544 243.094 1.00 0.00 C +ATOM 100 CA PRO A 100 242.336 234.015 243.387 1.00 0.00 C +ATOM 101 CA ALA A 101 239.265 236.250 243.689 1.00 0.00 C +ATOM 102 CA ASN A 102 238.986 238.113 247.001 1.00 0.00 C +ATOM 103 CA PRO A 103 236.310 239.214 249.478 1.00 0.00 C +ATOM 104 CA ALA A 104 233.134 240.735 250.932 1.00 0.00 C +ATOM 105 CA VAL A 105 231.468 243.559 252.873 1.00 0.00 C +ATOM 106 CA ALA A 106 234.026 245.876 254.488 1.00 0.00 C +ATOM 107 CA ILE A 107 237.791 246.455 254.464 1.00 0.00 C +ATOM 108 CA SER A 108 240.941 245.573 252.510 1.00 0.00 C +ATOM 109 CA ALA A 109 242.003 246.632 249.008 1.00 0.00 C +ATOM 110 CA GLU A 110 239.571 246.074 246.129 1.00 0.00 C +ATOM 111 CA PRO A 111 240.207 244.726 242.623 1.00 0.00 C +ATOM 112 CA ALA A 112 242.958 244.002 240.088 1.00 0.00 C +ATOM 113 CA VAL A 113 244.539 247.407 239.441 1.00 0.00 C +ATOM 114 CA PRO A 114 247.887 248.843 238.324 1.00 0.00 C +ATOM 115 CA PRO A 115 251.677 248.548 238.071 1.00 0.00 C +TER 116 PRO A 115 +END diff --git a/Bacteria/P95807/P95807.dcd b/Bacteria/P95807/P95807.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c07238c368ad9770afb4ba462fe6bd54d48ccdc8 --- /dev/null +++ b/Bacteria/P95807/P95807.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fe2a288450bb6764f31eb41f0a764fd3dabd0ca12770bce88617f8e9e596b9e5 +size 5960276 diff --git a/Bacteria/P95807/top.pdb b/Bacteria/P95807/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..db03fbfd91c4c2331bf278ffef03776f933d8dc0 --- /dev/null +++ b/Bacteria/P95807/top.pdb @@ -0,0 +1,47 @@ +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 VAL A 1 247.633 275.430 230.035 1.00 0.00 C +ATOM 2 CA SER A 2 245.960 272.279 231.370 1.00 0.00 C +ATOM 3 CA PHE A 3 248.497 269.438 231.264 1.00 0.00 C +ATOM 4 CA THR A 4 251.331 267.360 232.735 1.00 0.00 C +ATOM 5 CA ASP A 5 250.899 266.564 236.436 1.00 0.00 C +ATOM 6 CA ASN A 6 253.177 264.266 238.446 1.00 0.00 C +ATOM 7 CA ASN A 7 253.630 264.690 242.205 1.00 0.00 C +ATOM 8 CA VAL A 8 252.925 261.470 244.116 1.00 0.00 C +ATOM 9 CA MET A 9 254.436 259.413 246.945 1.00 0.00 C +ATOM 10 CA VAL A 10 256.016 256.825 249.252 1.00 0.00 C +ATOM 11 CA LYS A 11 255.008 253.151 249.210 1.00 0.00 C +ATOM 12 CA ASN A 12 251.668 252.300 247.585 1.00 0.00 C +ATOM 13 CA LEU A 13 248.048 252.920 248.599 1.00 0.00 C +ATOM 14 CA GLU A 14 244.461 253.984 247.882 1.00 0.00 C +ATOM 15 CA ALA A 15 241.938 256.276 249.584 1.00 0.00 C +ATOM 16 CA PRO A 16 240.232 257.267 252.843 1.00 0.00 C +ATOM 17 CA SER A 17 240.575 254.539 255.480 1.00 0.00 C +ATOM 18 CA PRO A 18 243.392 252.005 255.880 1.00 0.00 C +ATOM 19 CA SER A 19 246.616 250.021 255.454 1.00 0.00 C +ATOM 20 CA LYS A 20 249.930 248.555 256.631 1.00 0.00 C +ATOM 21 CA SER A 21 252.556 245.979 255.639 1.00 0.00 C +ATOM 22 CA HIS A 22 253.878 244.588 258.931 1.00 0.00 C +ATOM 23 CA SER A 23 251.456 245.276 261.790 1.00 0.00 C +ATOM 24 CA ASP A 24 248.855 245.414 264.570 1.00 0.00 C +ATOM 25 CA LYS A 25 247.169 243.477 267.386 1.00 0.00 C +ATOM 26 CA GLU A 26 247.252 239.822 266.313 1.00 0.00 C +ATOM 27 CA VAL A 27 244.006 239.350 264.374 1.00 0.00 C +ATOM 28 CA GLN A 28 240.255 239.824 264.844 1.00 0.00 C +ATOM 29 CA LYS A 29 238.171 240.413 261.709 1.00 0.00 C +ATOM 30 CA LEU A 30 237.892 243.691 259.786 1.00 0.00 C +ATOM 31 CA GLU A 31 240.712 246.053 258.796 1.00 0.00 C +ATOM 32 CA LYS A 32 244.070 244.834 257.471 1.00 0.00 C +ATOM 33 CA PRO A 33 246.604 243.249 255.108 1.00 0.00 C +ATOM 34 CA ASP A 34 249.269 240.903 253.727 1.00 0.00 C +ATOM 35 CA ASN A 35 252.317 240.571 251.465 1.00 0.00 C +ATOM 36 CA SER A 36 252.538 240.027 247.701 1.00 0.00 C +ATOM 37 CA VAL A 37 253.757 238.272 244.547 1.00 0.00 C +ATOM 38 CA LYS A 38 256.747 236.448 243.046 1.00 0.00 C +ATOM 39 CA GLN A 39 259.951 235.922 245.039 1.00 0.00 C +ATOM 40 CA ALA A 40 263.344 237.654 245.041 1.00 0.00 C +ATOM 41 CA THR A 41 263.075 240.229 242.246 1.00 0.00 C +ATOM 42 CA SER A 42 264.628 242.886 239.999 1.00 0.00 C +ATOM 43 CA SER A 43 265.124 246.362 238.521 1.00 0.00 C +TER 44 SER A 43 +END diff --git a/Bacteria/P96150/P96150.dcd b/Bacteria/P96150/P96150.dcd new file mode 100644 index 0000000000000000000000000000000000000000..bfa8ec1013bdec11252f1d38a1afd118f550428a --- /dev/null +++ b/Bacteria/P96150/P96150.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c1292abc9545d39710ba12f88e44defd928e729f7db1840830fba394581c6284 +size 5000276 diff --git a/Bacteria/P96150/top.pdb b/Bacteria/P96150/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a32999fa96722dd52a6358c30f2be41972ff4e5a --- /dev/null +++ b/Bacteria/P96150/top.pdb @@ -0,0 +1,39 @@ +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 1 232.024 257.982 228.984 1.00 0.00 C +ATOM 2 CA LYS A 2 232.538 256.593 232.494 1.00 0.00 C +ATOM 3 CA GLU A 3 235.630 258.225 234.008 1.00 0.00 C +ATOM 4 CA GLN A 4 236.250 256.672 237.431 1.00 0.00 C +ATOM 5 CA GLN A 5 236.526 254.434 240.502 1.00 0.00 C +ATOM 6 CA PRO A 6 236.578 255.022 244.266 1.00 0.00 C +ATOM 7 CA ALA A 7 236.424 252.835 247.382 1.00 0.00 C +ATOM 8 CA GLY A 8 235.615 251.605 250.896 1.00 0.00 C +ATOM 9 CA LYS A 9 236.536 249.020 253.540 1.00 0.00 C +ATOM 10 CA GLU A 10 236.671 245.534 252.007 1.00 0.00 C +ATOM 11 CA GLN A 11 239.538 243.054 251.624 1.00 0.00 C +ATOM 12 CA GLN A 12 241.747 241.194 254.110 1.00 0.00 C +ATOM 13 CA PRO A 13 243.529 239.718 257.136 1.00 0.00 C +ATOM 14 CA ALA A 14 244.373 236.027 256.716 1.00 0.00 C +ATOM 15 CA GLY A 15 247.882 235.201 257.949 1.00 0.00 C +ATOM 16 CA LYS A 16 249.221 238.285 259.742 1.00 0.00 C +ATOM 17 CA GLU A 17 250.054 241.211 257.447 1.00 0.00 C +ATOM 18 CA GLN A 18 251.797 240.933 254.071 1.00 0.00 C +ATOM 19 CA GLN A 19 254.760 238.717 253.160 1.00 0.00 C +ATOM 20 CA PRO A 20 257.515 239.190 250.571 1.00 0.00 C +ATOM 21 CA ALA A 21 258.773 242.479 249.116 1.00 0.00 C +ATOM 22 CA GLY A 22 259.755 245.533 251.171 1.00 0.00 C +ATOM 23 CA LYS A 23 260.843 248.624 253.116 1.00 0.00 C +ATOM 24 CA GLU A 24 258.721 251.788 253.156 1.00 0.00 C +ATOM 25 CA GLN A 25 257.267 253.165 256.397 1.00 0.00 C +ATOM 26 CA GLN A 26 258.211 256.410 258.155 1.00 0.00 C +ATOM 27 CA PRO A 27 260.814 258.758 259.648 1.00 0.00 C +ATOM 28 CA ALA A 28 263.745 260.659 258.127 1.00 0.00 C +ATOM 29 CA GLY A 29 266.063 260.202 255.139 1.00 0.00 C +ATOM 30 CA LYS A 30 267.312 258.226 252.130 1.00 0.00 C +ATOM 31 CA GLU A 31 266.055 257.433 248.622 1.00 0.00 C +ATOM 32 CA GLN A 32 262.409 258.256 247.882 1.00 0.00 C +ATOM 33 CA GLN A 33 259.125 256.363 247.498 1.00 0.00 C +ATOM 34 CA PRO A 34 257.319 254.661 244.607 1.00 0.00 C +ATOM 35 CA ALA A 35 258.381 255.991 241.198 1.00 0.00 C +TER 36 ALA A 35 +END diff --git a/Bacteria/P97182/P97182.dcd b/Bacteria/P97182/P97182.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e6c7959966ee25677d13c12d800212239a2155c4 --- /dev/null +++ b/Bacteria/P97182/P97182.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a2fcf0e4df23e42d364c2cf852413f3f46e09544d02b158ba8e43e379142adf3 +size 6080276 diff --git a/Bacteria/P97182/top.pdb b/Bacteria/P97182/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ffa78a3dc80eb5e1df8738c37b50c9b7e4727868 --- /dev/null +++ b/Bacteria/P97182/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 MET A 1 249.888 245.353 251.506 1.00 0.00 C +ATOM 2 CA LYS A 2 251.904 244.032 248.555 1.00 0.00 C +ATOM 3 CA LYS A 3 249.823 244.983 245.508 1.00 0.00 C +ATOM 4 CA GLY A 4 252.314 246.292 242.940 1.00 0.00 C +ATOM 5 CA ASP A 5 253.199 249.931 243.640 1.00 0.00 C +ATOM 6 CA ALA A 6 255.917 252.539 244.213 1.00 0.00 C +ATOM 7 CA ALA A 7 258.170 254.057 241.541 1.00 0.00 C +ATOM 8 CA GLU A 8 261.843 254.909 240.999 1.00 0.00 C +ATOM 9 CA HIS A 9 263.196 255.434 237.476 1.00 0.00 C +ATOM 10 CA ALA A 10 263.655 259.182 236.963 1.00 0.00 C +ATOM 11 CA GLU A 11 262.788 261.444 234.023 1.00 0.00 C +ATOM 12 CA HIS A 12 262.874 264.975 235.450 1.00 0.00 C +ATOM 13 CA HIS A 13 259.583 266.135 236.979 1.00 0.00 C +ATOM 14 CA MET A 14 258.556 268.739 239.563 1.00 0.00 C +ATOM 15 CA LYS A 15 254.757 268.993 239.699 1.00 0.00 C +ATOM 16 CA ASP A 16 251.905 266.503 240.130 1.00 0.00 C +ATOM 17 CA ASN A 17 248.856 264.843 241.698 1.00 0.00 C +ATOM 18 CA ARG A 18 249.946 262.881 244.777 1.00 0.00 C +ATOM 19 CA TRP A 19 248.613 259.499 245.918 1.00 0.00 C +ATOM 20 CA VAL A 20 250.989 256.892 247.357 1.00 0.00 C +ATOM 21 CA PRO A 21 251.902 254.420 250.108 1.00 0.00 C +ATOM 22 CA GLY A 22 253.916 255.646 253.101 1.00 0.00 C +ATOM 23 CA TRP A 23 252.284 254.002 256.126 1.00 0.00 C +ATOM 24 CA MET A 24 250.614 251.813 258.760 1.00 0.00 C +ATOM 25 CA CYS A 25 247.732 252.957 260.974 1.00 0.00 C +ATOM 26 CA ALA A 26 244.224 251.505 260.663 1.00 0.00 C +ATOM 27 CA PRO A 27 240.995 251.257 262.670 1.00 0.00 C +ATOM 28 CA HIS A 28 237.565 249.759 263.382 1.00 0.00 C +ATOM 29 CA PRO A 29 236.554 246.497 261.693 1.00 0.00 C +ATOM 30 CA GLN A 30 239.746 244.488 261.155 1.00 0.00 C +ATOM 31 CA THR A 31 243.441 244.090 260.315 1.00 0.00 C +ATOM 32 CA ASP A 32 247.246 244.280 260.266 1.00 0.00 C +ATOM 33 CA ALA A 33 248.838 242.680 263.335 1.00 0.00 C +ATOM 34 CA THR A 34 246.315 240.627 265.319 1.00 0.00 C +ATOM 35 CA GLU A 35 244.097 237.546 264.997 1.00 0.00 C +ATOM 36 CA ARG A 36 242.178 236.560 261.857 1.00 0.00 C +ATOM 37 CA THR A 37 242.444 233.464 259.652 1.00 0.00 C +ATOM 38 CA ASP A 38 245.136 234.317 257.093 1.00 0.00 C +ATOM 39 CA ASN A 39 246.597 234.519 253.581 1.00 0.00 C +ATOM 40 CA LEU A 40 246.807 235.402 249.880 1.00 0.00 C +ATOM 41 CA ALA A 41 248.079 238.577 248.201 1.00 0.00 C +ATOM 42 CA ASP A 42 247.308 239.177 244.519 1.00 0.00 C +ATOM 43 CA ALA A 43 245.404 239.017 241.223 1.00 0.00 C +ATOM 44 CA ALA A 44 241.800 239.781 242.196 1.00 0.00 C +TER 45 ALA A 44 +END diff --git a/Bacteria/Q01QW5/Q01QW5.dcd b/Bacteria/Q01QW5/Q01QW5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..02cb2a3302b56aaf8a8aaf16d94329a62fc571e7 --- /dev/null +++ b/Bacteria/Q01QW5/Q01QW5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2eb093b26837bf593bc41e58d13a76630a20511d85a9141d20eacaf6cc69ec16 +size 12920276 diff --git a/Bacteria/Q01QW5/top.pdb b/Bacteria/Q01QW5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..6418a87944688de12ed481da4b5f42e4ff61e9d8 --- /dev/null +++ b/Bacteria/Q01QW5/top.pdb @@ -0,0 +1,105 @@ +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 1 234.616 312.284 214.082 1.00 0.00 C +ATOM 2 CA ARG A 2 237.108 309.589 215.102 1.00 0.00 C +ATOM 3 CA THR A 3 238.921 307.171 212.782 1.00 0.00 C +ATOM 4 CA PRO A 4 242.603 307.200 213.758 1.00 0.00 C +ATOM 5 CA ALA A 5 242.902 305.983 217.356 1.00 0.00 C +ATOM 6 CA GLY A 6 243.381 307.546 220.798 1.00 0.00 C +ATOM 7 CA THR A 7 240.738 308.872 223.200 1.00 0.00 C +ATOM 8 CA CYS A 8 242.756 310.301 226.099 1.00 0.00 C +ATOM 9 CA SER A 9 243.573 309.553 229.745 1.00 0.00 C +ATOM 10 CA GLY A 10 242.580 306.866 232.256 1.00 0.00 C +ATOM 11 CA ARG A 11 242.518 304.384 235.146 1.00 0.00 C +ATOM 12 CA CYS A 12 239.658 303.664 237.559 1.00 0.00 C +ATOM 13 CA LYS A 13 240.606 303.035 241.195 1.00 0.00 C +ATOM 14 CA GLU A 14 243.481 303.633 243.623 1.00 0.00 C +ATOM 15 CA SER A 15 246.568 301.844 244.959 1.00 0.00 C +ATOM 16 CA ALA A 16 248.737 298.812 245.746 1.00 0.00 C +ATOM 17 CA ASP A 17 251.557 296.395 244.898 1.00 0.00 C +ATOM 18 CA GLY A 18 254.985 295.216 243.726 1.00 0.00 C +ATOM 19 CA SER A 19 255.629 292.861 240.800 1.00 0.00 C +ATOM 20 CA MET A 20 253.051 290.170 240.010 1.00 0.00 C +ATOM 21 CA ALA A 21 252.034 286.524 240.444 1.00 0.00 C +ATOM 22 CA THR A 22 250.536 283.110 239.656 1.00 0.00 C +ATOM 23 CA LYS A 23 251.649 279.956 237.831 1.00 0.00 C +ATOM 24 CA ALA A 24 253.611 278.501 234.907 1.00 0.00 C +ATOM 25 CA ARG A 25 254.731 280.616 231.942 1.00 0.00 C +ATOM 26 CA ARG A 26 257.838 278.916 230.537 1.00 0.00 C +ATOM 27 CA SER A 27 259.100 280.022 227.117 1.00 0.00 C +ATOM 28 CA GLN A 28 262.690 280.997 226.292 1.00 0.00 C +ATOM 29 CA ARG A 29 262.776 281.093 222.484 1.00 0.00 C +ATOM 30 CA ALA A 30 260.534 278.749 220.485 1.00 0.00 C +ATOM 31 CA GLY A 31 261.715 275.247 219.559 1.00 0.00 C +ATOM 32 CA GLN A 32 259.757 271.983 219.388 1.00 0.00 C +ATOM 33 CA GLN A 33 258.610 268.390 219.933 1.00 0.00 C +ATOM 34 CA SER A 34 255.985 267.708 217.257 1.00 0.00 C +ATOM 35 CA LYS A 35 252.586 266.191 218.070 1.00 0.00 C +ATOM 36 CA GLU A 36 249.044 267.394 218.795 1.00 0.00 C +ATOM 37 CA ASN A 37 247.704 269.893 221.339 1.00 0.00 C +ATOM 38 CA MET A 38 247.768 268.635 224.935 1.00 0.00 C +ATOM 39 CA ARG A 39 248.540 265.587 227.087 1.00 0.00 C +ATOM 40 CA LYS A 40 247.129 262.131 226.323 1.00 0.00 C +ATOM 41 CA GLY A 41 248.174 259.385 223.898 1.00 0.00 C +ATOM 42 CA LYS A 42 249.971 256.102 224.615 1.00 0.00 C +ATOM 43 CA ALA A 43 247.818 253.293 226.026 1.00 0.00 C +ATOM 44 CA MET A 44 245.179 251.888 228.387 1.00 0.00 C +ATOM 45 CA VAL A 45 245.511 251.584 232.170 1.00 0.00 C +ATOM 46 CA GLY A 46 243.486 248.972 234.065 1.00 0.00 C +ATOM 47 CA GLY A 47 244.749 245.469 233.261 1.00 0.00 C +ATOM 48 CA SER A 48 243.338 241.948 233.619 1.00 0.00 C +ATOM 49 CA SER A 49 241.025 239.978 231.320 1.00 0.00 C +ATOM 50 CA ALA A 50 239.006 236.995 230.081 1.00 0.00 C +ATOM 51 CA HIS A 51 238.437 234.097 232.489 1.00 0.00 C +ATOM 52 CA GLU A 52 237.310 231.252 234.759 1.00 0.00 C +ATOM 53 CA ALA A 53 238.940 230.620 238.144 1.00 0.00 C +ATOM 54 CA PRO A 54 237.779 230.756 241.770 1.00 0.00 C +ATOM 55 CA PRO A 55 236.303 234.250 242.128 1.00 0.00 C +ATOM 56 CA GLN A 56 233.235 235.383 244.083 1.00 0.00 C +ATOM 57 CA THR A 57 231.818 232.353 245.906 1.00 0.00 C +ATOM 58 CA PRO A 58 232.963 231.624 249.466 1.00 0.00 C +ATOM 59 CA PRO A 59 234.294 234.339 251.784 1.00 0.00 C +ATOM 60 CA GLY A 60 237.539 235.185 253.591 1.00 0.00 C +ATOM 61 CA GLY A 61 238.260 234.368 257.242 1.00 0.00 C +ATOM 62 CA GLU A 62 236.954 234.155 260.815 1.00 0.00 C +ATOM 63 CA PRO A 63 237.352 233.929 264.598 1.00 0.00 C +ATOM 64 CA PRO A 64 236.767 235.500 268.019 1.00 0.00 C +ATOM 65 CA GLU A 65 235.419 233.446 270.932 1.00 0.00 C +ATOM 66 CA THR A 66 236.247 230.443 273.127 1.00 0.00 C +ATOM 67 CA PRO A 67 239.961 229.971 273.829 1.00 0.00 C +ATOM 68 CA ALA A 68 243.700 230.643 273.532 1.00 0.00 C +ATOM 69 CA PRO A 69 247.004 232.156 272.387 1.00 0.00 C +ATOM 70 CA PHE A 70 249.449 232.143 269.465 1.00 0.00 C +ATOM 71 CA PRO A 71 251.808 234.682 267.884 1.00 0.00 C +ATOM 72 CA SER A 72 255.566 234.338 267.354 1.00 0.00 C +ATOM 73 CA GLY A 73 259.045 233.406 268.594 1.00 0.00 C +ATOM 74 CA THR A 74 259.500 233.218 272.372 1.00 0.00 C +ATOM 75 CA ARG A 75 258.654 231.101 275.425 1.00 0.00 C +ATOM 76 CA PHE A 76 255.774 228.764 274.551 1.00 0.00 C +ATOM 77 CA GLN A 77 253.874 225.489 274.125 1.00 0.00 C +ATOM 78 CA ASN A 78 250.749 223.367 274.621 1.00 0.00 C +ATOM 79 CA GLY A 79 250.451 219.584 274.277 1.00 0.00 C +ATOM 80 CA GLY A 80 249.640 216.593 276.493 1.00 0.00 C +ATOM 81 CA ASN A 81 249.649 213.426 278.611 1.00 0.00 C +ATOM 82 CA PRO A 82 248.582 211.235 281.540 1.00 0.00 C +ATOM 83 CA SER A 83 249.600 208.044 283.355 1.00 0.00 C +ATOM 84 CA ARG A 84 249.841 204.248 283.137 1.00 0.00 C +ATOM 85 CA VAL A 85 251.030 201.360 280.955 1.00 0.00 C +ATOM 86 CA ARG A 86 251.608 198.051 282.753 1.00 0.00 C +ATOM 87 CA LYS A 87 253.353 197.589 286.108 1.00 0.00 C +ATOM 88 CA PRO A 88 255.198 195.560 288.753 1.00 0.00 C +ATOM 89 CA ALA A 89 258.617 196.950 289.698 1.00 0.00 C +ATOM 90 CA GLN A 90 261.596 194.880 290.863 1.00 0.00 C +ATOM 91 CA HIS A 91 263.925 192.080 289.747 1.00 0.00 C +ATOM 92 CA ARG A 92 265.802 192.695 286.489 1.00 0.00 C +ATOM 93 CA ARG A 93 264.940 196.129 285.080 1.00 0.00 C +ATOM 94 CA ALA A 94 267.352 198.808 286.313 1.00 0.00 C +ATOM 95 CA LEU A 95 269.688 201.733 285.605 1.00 0.00 C +ATOM 96 CA ASP A 96 270.828 204.585 283.350 1.00 0.00 C +ATOM 97 CA ARG A 97 272.788 205.860 280.342 1.00 0.00 C +ATOM 98 CA PHE A 98 274.792 208.797 281.712 1.00 0.00 C +ATOM 99 CA PRO A 99 276.657 210.759 279.030 1.00 0.00 C +ATOM 100 CA PRO A 100 278.970 213.533 277.818 1.00 0.00 C +ATOM 101 CA PHE A 101 281.826 213.885 280.316 1.00 0.00 C +TER 102 PHE A 101 +END diff --git a/Bacteria/Q01R91/Q01R91.dcd b/Bacteria/Q01R91/Q01R91.dcd new file mode 100644 index 0000000000000000000000000000000000000000..6c0ba332f0594e842e27d7ce203841115339a77e --- /dev/null +++ b/Bacteria/Q01R91/Q01R91.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3fa80d169c17cef8ae1ef5e78161ac6f0145c259dec77c50502575295bf9945e +size 8000276 diff --git a/Bacteria/Q01R91/top.pdb b/Bacteria/Q01R91/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3f470bab9a345972f22a1c49877951c1998b6a8f --- /dev/null +++ b/Bacteria/Q01R91/top.pdb @@ -0,0 +1,64 @@ +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 1 263.202 245.245 238.292 1.00 0.00 C +ATOM 2 CA LYS A 2 264.187 241.697 237.314 1.00 0.00 C +ATOM 3 CA ARG A 3 267.025 240.424 235.114 1.00 0.00 C +ATOM 4 CA GLU A 4 268.573 237.551 237.081 1.00 0.00 C +ATOM 5 CA VAL A 5 271.130 234.730 236.956 1.00 0.00 C +ATOM 6 CA ILE A 6 273.237 231.611 236.361 1.00 0.00 C +ATOM 7 CA GLN A 7 272.724 229.343 239.378 1.00 0.00 C +ATOM 8 CA PRO A 8 268.998 229.127 240.142 1.00 0.00 C +ATOM 9 CA HIS A 9 268.545 228.270 243.827 1.00 0.00 C +ATOM 10 CA GLY A 10 269.436 225.896 246.670 1.00 0.00 C +ATOM 11 CA ASN A 11 266.262 224.301 248.048 1.00 0.00 C +ATOM 12 CA ASP A 12 263.784 223.206 245.369 1.00 0.00 C +ATOM 13 CA LYS A 13 260.249 224.040 244.216 1.00 0.00 C +ATOM 14 CA ARG A 14 256.994 226.018 244.152 1.00 0.00 C +ATOM 15 CA TYR A 15 253.485 227.415 244.655 1.00 0.00 C +ATOM 16 CA ILE A 16 253.681 231.208 244.967 1.00 0.00 C +ATOM 17 CA ARG A 17 252.248 234.734 244.808 1.00 0.00 C +ATOM 18 CA ARG A 18 251.020 235.664 248.293 1.00 0.00 C +ATOM 19 CA ASP A 19 250.208 232.317 249.923 1.00 0.00 C +ATOM 20 CA LYS A 20 247.953 229.492 251.127 1.00 0.00 C +ATOM 21 CA GLU A 21 245.733 228.287 253.979 1.00 0.00 C +ATOM 22 CA GLY A 22 242.311 228.811 255.572 1.00 0.00 C +ATOM 23 CA GLN A 23 239.213 226.943 256.767 1.00 0.00 C +ATOM 24 CA PHE A 24 236.659 229.430 258.111 1.00 0.00 C +ATOM 25 CA THR A 25 234.253 231.565 260.153 1.00 0.00 C +ATOM 26 CA SER A 26 235.775 234.614 261.857 1.00 0.00 C +ATOM 27 CA GLN A 27 239.575 234.383 261.998 1.00 0.00 C +ATOM 28 CA GLN A 28 241.070 237.462 260.326 1.00 0.00 C +ATOM 29 CA VAL A 29 241.441 241.244 260.607 1.00 0.00 C +ATOM 30 CA ASN A 30 239.272 243.863 258.888 1.00 0.00 C +ATOM 31 CA ALA A 31 236.617 245.137 261.305 1.00 0.00 C +ATOM 32 CA GLY A 32 233.707 247.181 262.675 1.00 0.00 C +ATOM 33 CA LYS A 33 233.038 250.499 264.424 1.00 0.00 C +ATOM 34 CA SER A 34 233.084 253.307 261.849 1.00 0.00 C +ATOM 35 CA LEU A 35 230.526 253.058 259.036 1.00 0.00 C +ATOM 36 CA SER A 36 230.039 256.173 256.897 1.00 0.00 C +ATOM 37 CA ALA A 37 228.056 258.873 258.712 1.00 0.00 C +ATOM 38 CA ASP A 38 228.358 262.349 257.181 1.00 0.00 C +ATOM 39 CA ARG A 39 231.193 262.206 254.640 1.00 0.00 C +ATOM 40 CA ARG A 40 232.050 259.985 251.666 1.00 0.00 C +ATOM 41 CA SER A 41 233.481 258.349 248.537 1.00 0.00 C +ATOM 42 CA LYS A 42 236.659 259.333 246.681 1.00 0.00 C +ATOM 43 CA SER A 43 240.018 258.485 245.094 1.00 0.00 C +ATOM 44 CA LYS A 44 243.720 259.380 245.016 1.00 0.00 C +ATOM 45 CA THR A 45 243.930 263.112 244.278 1.00 0.00 C +ATOM 46 CA ILE A 46 242.787 266.741 244.486 1.00 0.00 C +ATOM 47 CA VAL A 47 244.019 270.104 245.784 1.00 0.00 C +ATOM 48 CA PRO A 48 244.784 272.011 248.993 1.00 0.00 C +ATOM 49 CA LYS A 49 247.231 274.855 248.332 1.00 0.00 C +ATOM 50 CA GLY A 50 248.541 277.804 250.358 1.00 0.00 C +ATOM 51 CA GLN A 51 252.120 279.111 250.311 1.00 0.00 C +ATOM 52 CA GLY A 52 255.903 279.097 249.860 1.00 0.00 C +ATOM 53 CA ASP A 53 258.578 280.437 252.218 1.00 0.00 C +ATOM 54 CA ARG A 54 259.509 283.869 253.587 1.00 0.00 C +ATOM 55 CA GLY A 55 260.811 287.074 251.989 1.00 0.00 C +ATOM 56 CA ASP A 56 264.597 287.436 251.773 1.00 0.00 C +ATOM 57 CA GLN A 57 266.349 284.118 251.113 1.00 0.00 C +ATOM 58 CA LYS A 58 268.354 281.556 249.130 1.00 0.00 C +ATOM 59 CA ARG A 59 267.218 279.206 246.354 1.00 0.00 C +ATOM 60 CA SER A 60 266.477 280.263 242.769 1.00 0.00 C +TER 61 SER A 60 +END diff --git a/Bacteria/Q01U72/Q01U72.dcd b/Bacteria/Q01U72/Q01U72.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8c764cdf1d1622b20d46ca111afff7d3e33e90e6 --- /dev/null +++ b/Bacteria/Q01U72/Q01U72.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4c220c0bb0844e7cb193ab691856e83bd6b7abc5933d73b7795fb7a684037a3c +size 6200276 diff --git a/Bacteria/Q01U72/top.pdb b/Bacteria/Q01U72/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f65d3d6a26d0537ddb604a6664d21f702d96e7e9 --- /dev/null +++ b/Bacteria/Q01U72/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 1 243.931 261.641 220.507 1.00 0.00 C +ATOM 2 CA GLN A 2 242.227 264.184 218.239 1.00 0.00 C +ATOM 3 CA SER A 3 239.356 266.256 216.832 1.00 0.00 C +ATOM 4 CA SER A 4 235.863 266.401 218.348 1.00 0.00 C +ATOM 5 CA LYS A 5 234.180 268.131 221.296 1.00 0.00 C +ATOM 6 CA GLY A 6 236.613 269.453 223.912 1.00 0.00 C +ATOM 7 CA SER A 7 239.801 271.326 224.831 1.00 0.00 C +ATOM 8 CA HIS A 8 241.314 270.512 228.232 1.00 0.00 C +ATOM 9 CA ARG A 9 241.416 266.737 228.740 1.00 0.00 C +ATOM 10 CA GLN A 10 244.567 264.758 227.920 1.00 0.00 C +ATOM 11 CA ASN A 11 248.030 263.493 228.879 1.00 0.00 C +ATOM 12 CA ASN A 12 250.351 263.719 231.892 1.00 0.00 C +ATOM 13 CA HIS A 13 252.266 264.415 235.111 1.00 0.00 C +ATOM 14 CA PRO A 14 254.543 262.119 237.125 1.00 0.00 C +ATOM 15 CA VAL A 15 256.670 260.320 234.526 1.00 0.00 C +ATOM 16 CA LYS A 16 259.019 257.539 233.401 1.00 0.00 C +ATOM 17 CA LEU A 17 261.176 256.667 236.418 1.00 0.00 C +ATOM 18 CA GLY A 18 263.191 255.818 239.538 1.00 0.00 C +ATOM 19 CA ARG A 19 263.664 252.147 240.444 1.00 0.00 C +ATOM 20 CA VAL A 20 262.776 248.931 242.283 1.00 0.00 C +ATOM 21 CA THR A 21 263.245 248.978 246.064 1.00 0.00 C +ATOM 22 CA VAL A 22 263.675 245.379 247.239 1.00 0.00 C +ATOM 23 CA PRO A 23 261.934 243.438 250.017 1.00 0.00 C +ATOM 24 CA GLY A 24 258.273 242.410 250.252 1.00 0.00 C +ATOM 25 CA HIS A 25 256.603 242.854 253.648 1.00 0.00 C +ATOM 26 CA PRO A 26 257.153 242.126 257.347 1.00 0.00 C +ATOM 27 CA GLY A 27 254.794 241.159 260.179 1.00 0.00 C +ATOM 28 CA HIS A 28 255.263 241.338 263.956 1.00 0.00 C +ATOM 29 CA ASP A 29 252.357 239.574 265.677 1.00 0.00 C +ATOM 30 CA ILE A 30 249.725 237.014 264.659 1.00 0.00 C +ATOM 31 CA ALA A 31 247.880 233.685 264.508 1.00 0.00 C +ATOM 32 CA PRO A 32 246.103 230.484 263.453 1.00 0.00 C +ATOM 33 CA GLY A 33 244.522 227.938 265.805 1.00 0.00 C +ATOM 34 CA THR A 34 243.833 225.442 268.600 1.00 0.00 C +ATOM 35 CA LEU A 35 246.010 226.448 271.561 1.00 0.00 C +ATOM 36 CA GLN A 36 246.098 229.764 273.436 1.00 0.00 C +ATOM 37 CA SER A 37 245.876 233.540 273.893 1.00 0.00 C +ATOM 38 CA VAL A 38 245.064 235.764 276.878 1.00 0.00 C +ATOM 39 CA LEU A 39 245.997 239.106 278.452 1.00 0.00 C +ATOM 40 CA LYS A 40 249.068 240.872 277.050 1.00 0.00 C +ATOM 41 CA GLN A 41 249.593 244.624 277.451 1.00 0.00 C +ATOM 42 CA ALA A 42 252.245 247.355 277.299 1.00 0.00 C +ATOM 43 CA GLY A 43 250.796 250.624 278.615 1.00 0.00 C +ATOM 44 CA LEU A 44 248.119 252.637 276.799 1.00 0.00 C +ATOM 45 CA ARG A 45 244.821 252.881 278.689 1.00 0.00 C +TER 46 ARG A 45 +END diff --git a/Bacteria/Q01VA0/Q01VA0.dcd b/Bacteria/Q01VA0/Q01VA0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c98471831717c51bb372f51626ffc697ce57266f --- /dev/null +++ b/Bacteria/Q01VA0/Q01VA0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5dd563fe228a58da6dae8f16b74a27b357e65ca83a68ec8c3c3ab20239faff3d +size 9800276 diff --git a/Bacteria/Q01VA0/top.pdb b/Bacteria/Q01VA0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..60d9f96ee02869845507fe7b83c38c7115733908 --- /dev/null +++ b/Bacteria/Q01VA0/top.pdb @@ -0,0 +1,79 @@ +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 1 244.076 259.834 275.093 1.00 0.00 C +ATOM 2 CA ALA A 2 241.505 258.249 272.771 1.00 0.00 C +ATOM 3 CA THR A 3 240.324 254.639 272.473 1.00 0.00 C +ATOM 4 CA LYS A 4 239.967 253.816 268.770 1.00 0.00 C +ATOM 5 CA LYS A 5 238.523 251.854 265.840 1.00 0.00 C +ATOM 6 CA LYS A 6 239.676 252.734 262.318 1.00 0.00 C +ATOM 7 CA ALA A 7 241.577 253.564 259.122 1.00 0.00 C +ATOM 8 CA VAL A 8 243.118 256.087 256.719 1.00 0.00 C +ATOM 9 CA LYS A 9 243.498 259.527 258.312 1.00 0.00 C +ATOM 10 CA LYS A 10 244.981 262.624 256.662 1.00 0.00 C +ATOM 11 CA ALA A 11 243.266 265.983 256.118 1.00 0.00 C +ATOM 12 CA ALA A 12 244.428 269.132 254.315 1.00 0.00 C +ATOM 13 CA LYS A 13 242.789 269.905 250.963 1.00 0.00 C +ATOM 14 CA LYS A 14 239.524 269.705 249.009 1.00 0.00 C +ATOM 15 CA ALA A 15 236.227 269.763 247.101 1.00 0.00 C +ATOM 16 CA PRO A 16 236.274 268.133 243.657 1.00 0.00 C +ATOM 17 CA ALA A 17 232.661 267.594 242.578 1.00 0.00 C +ATOM 18 CA LYS A 18 230.158 266.228 245.105 1.00 0.00 C +ATOM 19 CA LYS A 19 226.467 266.221 246.049 1.00 0.00 C +ATOM 20 CA ALA A 20 223.154 264.346 246.216 1.00 0.00 C +ATOM 21 CA ALA A 21 223.223 260.969 247.980 1.00 0.00 C +ATOM 22 CA LYS A 22 223.147 257.255 248.825 1.00 0.00 C +ATOM 23 CA LYS A 23 223.291 253.622 249.963 1.00 0.00 C +ATOM 24 CA ALA A 24 226.729 252.037 249.537 1.00 0.00 C +ATOM 25 CA PRO A 25 228.832 253.555 246.747 1.00 0.00 C +ATOM 26 CA ALA A 26 232.307 255.098 246.490 1.00 0.00 C +ATOM 27 CA LYS A 27 236.096 254.920 246.136 1.00 0.00 C +ATOM 28 CA LYS A 28 239.148 256.890 247.285 1.00 0.00 C +ATOM 29 CA ALA A 29 242.956 256.765 247.276 1.00 0.00 C +ATOM 30 CA VAL A 30 244.307 253.230 247.724 1.00 0.00 C +ATOM 31 CA LYS A 31 244.327 250.311 250.171 1.00 0.00 C +ATOM 32 CA LYS A 32 240.834 248.795 250.028 1.00 0.00 C +ATOM 33 CA ALA A 33 237.696 250.419 251.454 1.00 0.00 C +ATOM 34 CA ALA A 34 236.737 248.633 254.680 1.00 0.00 C +ATOM 35 CA LYS A 35 235.376 246.214 257.289 1.00 0.00 C +ATOM 36 CA LYS A 36 237.126 245.635 260.624 1.00 0.00 C +ATOM 37 CA ALA A 37 240.772 244.979 259.735 1.00 0.00 C +ATOM 38 CA PRO A 38 243.700 245.721 257.413 1.00 0.00 C +ATOM 39 CA ALA A 39 244.561 243.103 254.782 1.00 0.00 C +ATOM 40 CA LYS A 40 245.610 240.892 251.862 1.00 0.00 C +ATOM 41 CA LYS A 41 247.712 241.522 248.747 1.00 0.00 C +ATOM 42 CA ALA A 42 251.419 240.840 249.302 1.00 0.00 C +ATOM 43 CA ALA A 43 253.911 242.400 251.726 1.00 0.00 C +ATOM 44 CA LYS A 44 255.514 242.133 255.172 1.00 0.00 C +ATOM 45 CA LYS A 45 257.077 244.523 257.694 1.00 0.00 C +ATOM 46 CA ALA A 46 259.539 246.850 255.952 1.00 0.00 C +ATOM 47 CA PRO A 47 261.611 248.949 258.364 1.00 0.00 C +ATOM 48 CA ALA A 48 259.826 249.728 261.638 1.00 0.00 C +ATOM 49 CA LYS A 49 256.172 249.763 262.719 1.00 0.00 C +ATOM 50 CA LYS A 50 254.445 251.916 260.094 1.00 0.00 C +ATOM 51 CA ALA A 51 252.126 253.114 257.318 1.00 0.00 C +ATOM 52 CA VAL A 52 249.977 250.082 256.479 1.00 0.00 C +ATOM 53 CA LYS A 53 252.135 247.233 255.160 1.00 0.00 C +ATOM 54 CA LYS A 54 253.267 248.414 251.719 1.00 0.00 C +ATOM 55 CA ALA A 55 254.503 250.575 248.835 1.00 0.00 C +ATOM 56 CA ALA A 56 258.176 249.792 248.194 1.00 0.00 C +ATOM 57 CA LYS A 57 260.434 246.781 248.791 1.00 0.00 C +ATOM 58 CA LYS A 58 263.475 244.681 249.715 1.00 0.00 C +ATOM 59 CA ARG A 59 264.437 241.732 247.503 1.00 0.00 C +ATOM 60 CA GLY A 60 263.854 241.667 243.738 1.00 0.00 C +ATOM 61 CA ILE A 61 262.711 243.258 240.471 1.00 0.00 C +ATOM 62 CA VAL A 62 265.065 243.029 237.484 1.00 0.00 C +ATOM 63 CA LYS A 63 265.323 239.483 236.115 1.00 0.00 C +ATOM 64 CA GLY A 64 268.174 237.389 234.698 1.00 0.00 C +ATOM 65 CA THR A 65 270.179 235.421 237.271 1.00 0.00 C +ATOM 66 CA THR A 66 273.059 234.880 239.707 1.00 0.00 C +ATOM 67 CA PRO A 67 276.618 235.290 241.003 1.00 0.00 C +ATOM 68 CA HIS A 68 279.409 235.558 238.424 1.00 0.00 C +ATOM 69 CA LEU A 69 282.282 237.924 237.610 1.00 0.00 C +ATOM 70 CA PRO A 70 283.617 240.191 234.854 1.00 0.00 C +ATOM 71 CA MET A 71 281.824 240.417 231.500 1.00 0.00 C +ATOM 72 CA ASP A 72 279.641 237.732 229.906 1.00 0.00 C +ATOM 73 CA MET A 73 277.158 235.824 227.735 1.00 0.00 C +ATOM 74 CA GLN A 74 277.902 232.104 228.085 1.00 0.00 C +ATOM 75 CA SER A 75 278.463 229.822 231.084 1.00 0.00 C +TER 76 SER A 75 +END diff --git a/Bacteria/Q021I0/Q021I0.dcd b/Bacteria/Q021I0/Q021I0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..2a7572bf4598f153e8523e5a2ff0cd76e0dbea8b --- /dev/null +++ b/Bacteria/Q021I0/Q021I0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:001f15c53bc952138b21334b81c6cb20524939b31f246d9561b3eb8ca3debff7 +size 10400276 diff --git a/Bacteria/Q021I0/top.pdb b/Bacteria/Q021I0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d9c842b8dc395a95628c11ad41b94092a8ef2d4a --- /dev/null +++ b/Bacteria/Q021I0/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 MET A 1 273.922 239.685 238.669 1.00 0.00 C +ATOM 2 CA ALA A 2 271.160 237.953 240.641 1.00 0.00 C +ATOM 3 CA THR A 3 267.919 239.866 241.233 1.00 0.00 C +ATOM 4 CA LYS A 4 265.938 241.352 244.129 1.00 0.00 C +ATOM 5 CA LYS A 5 262.780 243.483 244.114 1.00 0.00 C +ATOM 6 CA SER A 6 261.048 246.378 242.343 1.00 0.00 C +ATOM 7 CA SER A 7 262.592 249.621 243.616 1.00 0.00 C +ATOM 8 CA SER A 8 260.843 252.314 245.666 1.00 0.00 C +ATOM 9 CA LYS A 9 259.613 251.191 249.093 1.00 0.00 C +ATOM 10 CA THR A 10 260.453 247.626 250.142 1.00 0.00 C +ATOM 11 CA THR A 11 260.966 243.902 250.764 1.00 0.00 C +ATOM 12 CA SER A 12 260.407 240.161 250.313 1.00 0.00 C +ATOM 13 CA LYS A 13 259.747 237.925 247.299 1.00 0.00 C +ATOM 14 CA GLY A 14 259.119 234.177 247.578 1.00 0.00 C +ATOM 15 CA ARG A 15 257.322 230.859 248.106 1.00 0.00 C +ATOM 16 CA GLY A 16 254.976 229.535 245.412 1.00 0.00 C +ATOM 17 CA LYS A 17 251.542 228.578 246.759 1.00 0.00 C +ATOM 18 CA ILE A 18 248.355 226.522 247.113 1.00 0.00 C +ATOM 19 CA HIS A 19 248.286 223.196 248.970 1.00 0.00 C +ATOM 20 CA LYS A 20 249.767 219.712 248.540 1.00 0.00 C +ATOM 21 CA VAL A 21 252.216 217.375 250.287 1.00 0.00 C +ATOM 22 CA MET A 22 252.573 216.437 253.963 1.00 0.00 C +ATOM 23 CA LYS A 23 254.187 218.645 256.616 1.00 0.00 C +ATOM 24 CA GLU A 24 251.588 219.301 259.323 1.00 0.00 C +ATOM 25 CA LYS A 25 249.557 222.006 261.077 1.00 0.00 C +ATOM 26 CA LYS A 26 250.931 225.558 261.192 1.00 0.00 C +ATOM 27 CA GLU A 27 254.498 226.739 260.566 1.00 0.00 C +ATOM 28 CA GLY A 28 254.456 229.036 257.527 1.00 0.00 C +ATOM 29 CA THR A 29 252.024 231.906 256.922 1.00 0.00 C +ATOM 30 CA LEU A 30 251.731 235.620 257.723 1.00 0.00 C +ATOM 31 CA LYS A 31 251.569 239.317 256.817 1.00 0.00 C +ATOM 32 CA SER A 32 253.032 241.895 254.423 1.00 0.00 C +ATOM 33 CA GLY A 33 252.918 245.314 252.746 1.00 0.00 C +ATOM 34 CA SER A 34 250.973 248.446 251.784 1.00 0.00 C +ATOM 35 CA GLY A 35 250.334 251.984 250.522 1.00 0.00 C +ATOM 36 CA LYS A 36 249.127 255.283 249.048 1.00 0.00 C +ATOM 37 CA LYS A 37 245.757 256.728 250.082 1.00 0.00 C +ATOM 38 CA VAL A 38 245.574 257.392 253.829 1.00 0.00 C +ATOM 39 CA THR A 39 247.983 259.895 255.393 1.00 0.00 C +ATOM 40 CA SER A 40 247.141 263.582 254.936 1.00 0.00 C +ATOM 41 CA ARG A 41 246.121 264.783 258.405 1.00 0.00 C +ATOM 42 CA LYS A 42 247.332 266.052 261.787 1.00 0.00 C +ATOM 43 CA GLN A 43 246.876 266.491 265.544 1.00 0.00 C +ATOM 44 CA ALA A 44 244.029 267.408 267.903 1.00 0.00 C +ATOM 45 CA VAL A 45 240.550 266.256 266.859 1.00 0.00 C +ATOM 46 CA ALA A 46 237.911 263.881 265.476 1.00 0.00 C +ATOM 47 CA ILE A 47 235.623 260.894 266.076 1.00 0.00 C +ATOM 48 CA ALA A 48 233.543 257.789 265.337 1.00 0.00 C +ATOM 49 CA LEU A 49 231.791 257.879 261.954 1.00 0.00 C +ATOM 50 CA SER A 50 233.989 257.884 258.842 1.00 0.00 C +ATOM 51 CA GLU A 51 232.368 257.475 255.419 1.00 0.00 C +ATOM 52 CA ALA A 52 233.561 258.015 251.841 1.00 0.00 C +ATOM 53 CA ARG A 53 236.992 257.812 250.195 1.00 0.00 C +ATOM 54 CA LYS A 54 239.029 260.931 249.397 1.00 0.00 C +ATOM 55 CA SER A 55 239.169 264.443 247.927 1.00 0.00 C +ATOM 56 CA GLY A 56 241.201 267.650 248.244 1.00 0.00 C +ATOM 57 CA ALA A 57 241.941 269.189 244.837 1.00 0.00 C +ATOM 58 CA LYS A 58 243.264 272.703 244.195 1.00 0.00 C +ATOM 59 CA ILE A 59 246.919 272.682 243.119 1.00 0.00 C +ATOM 60 CA PRO A 60 250.520 273.520 244.037 1.00 0.00 C +ATOM 61 CA LYS A 61 252.538 270.390 243.230 1.00 0.00 C +ATOM 62 CA LYS A 62 254.026 267.772 240.897 1.00 0.00 C +ATOM 63 CA LYS A 63 256.035 267.063 237.737 1.00 0.00 C +ATOM 64 CA ALA A 64 254.942 267.830 234.169 1.00 0.00 C +ATOM 65 CA ALA A 65 252.246 270.145 232.795 1.00 0.00 C +ATOM 66 CA LYS A 66 250.119 272.281 235.125 1.00 0.00 C +ATOM 67 CA LYS A 67 247.679 270.203 237.184 1.00 0.00 C +ATOM 68 CA SER A 68 246.432 266.603 237.117 1.00 0.00 C +ATOM 69 CA THR A 69 249.077 264.251 238.529 1.00 0.00 C +ATOM 70 CA LYS A 70 251.770 261.652 239.242 1.00 0.00 C +ATOM 71 CA LYS A 71 252.202 257.980 240.162 1.00 0.00 C +ATOM 72 CA SER A 72 249.048 256.070 239.202 1.00 0.00 C +ATOM 73 CA THR A 73 248.447 252.391 239.988 1.00 0.00 C +ATOM 74 CA LYS A 74 247.565 252.072 243.680 1.00 0.00 C +ATOM 75 CA LYS A 75 244.946 249.752 245.188 1.00 0.00 C +ATOM 76 CA SER A 76 243.021 250.665 248.346 1.00 0.00 C +ATOM 77 CA ALA A 77 242.777 248.688 251.594 1.00 0.00 C +ATOM 78 CA ARG A 78 245.414 248.074 254.274 1.00 0.00 C +ATOM 79 CA LYS A 79 246.600 248.844 257.812 1.00 0.00 C +ATOM 80 CA SER A 80 247.459 247.043 261.058 1.00 0.00 C +TER 81 SER A 80 +END diff --git a/Bacteria/Q029F4/Q029F4.dcd b/Bacteria/Q029F4/Q029F4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d7d75db5dce7f53073907741e53210f1f6344428 --- /dev/null +++ b/Bacteria/Q029F4/Q029F4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c0d44179a366069c4ebd91e4d8a8ec52edef8dcaab3211eee932036cb11c361c +size 10280276 diff --git a/Bacteria/Q029F4/top.pdb b/Bacteria/Q029F4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..285decd945e4726161fd9421a4c0fc30e38ddea3 --- /dev/null +++ b/Bacteria/Q029F4/top.pdb @@ -0,0 +1,83 @@ +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 1 251.487 219.601 264.375 1.00 0.00 C +ATOM 2 CA SER A 2 248.782 222.203 265.027 1.00 0.00 C +ATOM 3 CA LYS A 3 246.325 222.945 262.211 1.00 0.00 C +ATOM 4 CA ARG A 4 247.994 222.521 258.813 1.00 0.00 C +ATOM 5 CA GLN A 5 246.748 219.884 256.361 1.00 0.00 C +ATOM 6 CA GLU A 6 248.475 217.781 253.694 1.00 0.00 C +ATOM 7 CA ALA A 7 250.919 219.871 251.651 1.00 0.00 C +ATOM 8 CA ARG A 8 252.154 219.539 248.062 1.00 0.00 C +ATOM 9 CA LYS A 9 252.781 217.554 244.871 1.00 0.00 C +ATOM 10 CA ALA A 10 252.440 218.884 241.317 1.00 0.00 C +ATOM 11 CA ASP A 11 250.694 222.238 240.851 1.00 0.00 C +ATOM 12 CA PRO A 12 250.461 225.981 240.182 1.00 0.00 C +ATOM 13 CA LEU A 13 247.883 228.550 241.310 1.00 0.00 C +ATOM 14 CA ARG A 14 245.698 230.510 243.739 1.00 0.00 C +ATOM 15 CA GLY A 15 242.264 229.444 244.998 1.00 0.00 C +ATOM 16 CA ASP A 16 239.782 231.821 246.643 1.00 0.00 C +ATOM 17 CA GLN A 17 238.154 234.640 248.622 1.00 0.00 C +ATOM 18 CA GLY A 18 236.646 235.923 251.877 1.00 0.00 C +ATOM 19 CA SER A 19 233.341 237.818 251.881 1.00 0.00 C +ATOM 20 CA ASP A 20 232.226 240.881 253.853 1.00 0.00 C +ATOM 21 CA PHE A 21 230.907 241.420 257.386 1.00 0.00 C +ATOM 22 CA ASP A 22 230.455 243.048 260.801 1.00 0.00 C +ATOM 23 CA ALA A 23 233.634 244.975 261.638 1.00 0.00 C +ATOM 24 CA VAL A 24 235.594 245.393 258.398 1.00 0.00 C +ATOM 25 CA PRO A 25 238.656 247.499 259.238 1.00 0.00 C +ATOM 26 CA ALA A 26 241.444 246.996 261.786 1.00 0.00 C +ATOM 27 CA LEU A 27 240.476 245.730 265.247 1.00 0.00 C +ATOM 28 CA GLY A 28 240.646 248.236 268.111 1.00 0.00 C +ATOM 29 CA ASN A 29 242.550 251.061 269.818 1.00 0.00 C +ATOM 30 CA PRO A 30 241.219 254.570 269.163 1.00 0.00 C +ATOM 31 CA ALA A 31 238.774 257.481 268.912 1.00 0.00 C +ATOM 32 CA THR A 32 236.405 260.416 268.373 1.00 0.00 C +ATOM 33 CA THR A 33 235.174 262.745 265.620 1.00 0.00 C +ATOM 34 CA GLU A 34 234.419 266.479 265.576 1.00 0.00 C +ATOM 35 CA ALA A 35 235.390 269.417 263.352 1.00 0.00 C +ATOM 36 CA VAL A 36 237.298 269.638 260.062 1.00 0.00 C +ATOM 37 CA LYS A 37 238.308 272.298 257.528 1.00 0.00 C +ATOM 38 CA ILE A 38 239.593 271.321 254.077 1.00 0.00 C +ATOM 39 CA HIS A 39 241.348 271.137 250.700 1.00 0.00 C +ATOM 40 CA GLN A 40 243.192 273.481 248.328 1.00 0.00 C +ATOM 41 CA ILE A 41 245.404 273.305 245.232 1.00 0.00 C +ATOM 42 CA ALA A 42 247.669 276.355 244.944 1.00 0.00 C +ATOM 43 CA ALA A 43 250.755 275.225 243.016 1.00 0.00 C +ATOM 44 CA ALA A 44 251.735 277.579 240.185 1.00 0.00 C +ATOM 45 CA ARG A 45 253.243 278.948 236.965 1.00 0.00 C +ATOM 46 CA TYR A 46 256.845 277.805 236.482 1.00 0.00 C +ATOM 47 CA GLY A 47 258.181 274.291 237.099 1.00 0.00 C +ATOM 48 CA ASP A 48 257.317 270.790 238.331 1.00 0.00 C +ATOM 49 CA PRO A 49 253.663 269.712 238.333 1.00 0.00 C +ATOM 50 CA GLU A 50 249.999 268.987 237.580 1.00 0.00 C +ATOM 51 CA THR A 51 247.203 269.712 240.065 1.00 0.00 C +ATOM 52 CA ILE A 52 246.238 267.536 243.039 1.00 0.00 C +ATOM 53 CA ARG A 53 244.195 264.457 242.110 1.00 0.00 C +ATOM 54 CA ARG A 54 243.003 261.142 240.659 1.00 0.00 C +ATOM 55 CA GLY A 55 245.197 258.274 241.875 1.00 0.00 C +ATOM 56 CA ARG A 56 248.762 256.960 241.601 1.00 0.00 C +ATOM 57 CA GLN A 57 251.078 258.912 239.290 1.00 0.00 C +ATOM 58 CA GLN A 58 254.731 258.925 240.373 1.00 0.00 C +ATOM 59 CA GLN A 59 257.398 256.273 239.764 1.00 0.00 C +ATOM 60 CA GLY A 60 260.529 258.176 238.720 1.00 0.00 C +ATOM 61 CA VAL A 61 264.218 258.511 239.609 1.00 0.00 C +ATOM 62 CA HIS A 62 267.095 256.033 239.289 1.00 0.00 C +ATOM 63 CA PRO A 63 268.485 252.487 239.232 1.00 0.00 C +ATOM 64 CA SER A 64 270.652 250.268 241.445 1.00 0.00 C +ATOM 65 CA PRO A 65 270.434 246.876 243.167 1.00 0.00 C +ATOM 66 CA ALA A 66 269.930 243.446 241.588 1.00 0.00 C +ATOM 67 CA SER A 67 268.458 243.799 238.091 1.00 0.00 C +ATOM 68 CA LYS A 68 265.183 244.285 236.207 1.00 0.00 C +ATOM 69 CA ASN A 69 262.272 246.566 237.124 1.00 0.00 C +ATOM 70 CA GLN A 70 261.402 247.828 240.612 1.00 0.00 C +ATOM 71 CA GLN A 71 264.042 248.655 243.232 1.00 0.00 C +ATOM 72 CA GLY A 72 264.163 249.447 246.957 1.00 0.00 C +ATOM 73 CA MET A 73 263.817 248.548 250.643 1.00 0.00 C +ATOM 74 CA HIS A 74 265.511 246.595 253.442 1.00 0.00 C +ATOM 75 CA SER A 75 265.679 246.136 257.220 1.00 0.00 C +ATOM 76 CA VAL A 76 266.827 249.427 258.761 1.00 0.00 C +ATOM 77 CA SER A 77 265.533 252.137 261.106 1.00 0.00 C +ATOM 78 CA ALA A 78 264.773 251.958 264.835 1.00 0.00 C +ATOM 79 CA PRO A 79 267.644 251.702 267.327 1.00 0.00 C +TER 80 PRO A 79 +END diff --git a/Bacteria/Q02A38/Q02A38.dcd b/Bacteria/Q02A38/Q02A38.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e665a3c94744527c729add5be3afa36680569eaa --- /dev/null +++ b/Bacteria/Q02A38/Q02A38.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ebfb26a4da2a624b7dd0dc14a8a1cd6b130e923536e468a73528365a270ecfb5 +size 6680276 diff --git a/Bacteria/Q02A38/top.pdb b/Bacteria/Q02A38/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b45c61bedcb8aae0006c7994065328216ea7cd2a --- /dev/null +++ b/Bacteria/Q02A38/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 MET A 1 238.674 213.250 245.053 1.00 0.00 C +ATOM 2 CA PRO A 2 242.478 213.118 244.880 1.00 0.00 C +ATOM 3 CA LYS A 3 243.940 214.179 248.234 1.00 0.00 C +ATOM 4 CA ARG A 4 246.745 214.228 250.812 1.00 0.00 C +ATOM 5 CA THR A 5 248.997 217.154 251.753 1.00 0.00 C +ATOM 6 CA PHE A 6 246.875 220.120 252.857 1.00 0.00 C +ATOM 7 CA GLN A 7 244.355 222.386 251.116 1.00 0.00 C +ATOM 8 CA PRO A 8 245.054 223.977 247.726 1.00 0.00 C +ATOM 9 CA ASN A 9 247.805 223.117 245.234 1.00 0.00 C +ATOM 10 CA ASN A 10 249.148 219.663 244.350 1.00 0.00 C +ATOM 11 CA ARG A 11 249.219 218.090 240.881 1.00 0.00 C +ATOM 12 CA HIS A 12 250.998 219.923 238.054 1.00 0.00 C +ATOM 13 CA ARG A 13 249.491 222.682 235.902 1.00 0.00 C +ATOM 14 CA ALA A 14 248.941 224.349 232.520 1.00 0.00 C +ATOM 15 CA LYS A 15 251.179 226.872 230.749 1.00 0.00 C +ATOM 16 CA THR A 16 253.951 229.344 231.600 1.00 0.00 C +ATOM 17 CA HIS A 17 256.167 232.433 231.345 1.00 0.00 C +ATOM 18 CA GLY A 18 256.083 235.909 232.901 1.00 0.00 C +ATOM 19 CA PHE A 19 255.988 239.417 234.385 1.00 0.00 C +ATOM 20 CA ARG A 20 254.593 242.529 232.686 1.00 0.00 C +ATOM 21 CA SER A 21 255.025 246.259 232.039 1.00 0.00 C +ATOM 22 CA ARG A 22 254.037 249.762 230.913 1.00 0.00 C +ATOM 23 CA MET A 23 251.107 252.091 230.200 1.00 0.00 C +ATOM 24 CA GLU A 24 248.296 252.803 232.671 1.00 0.00 C +ATOM 25 CA THR A 25 246.583 252.738 236.073 1.00 0.00 C +ATOM 26 CA LYS A 26 245.862 252.589 239.812 1.00 0.00 C +ATOM 27 CA ASN A 27 249.214 252.523 241.623 1.00 0.00 C +ATOM 28 CA GLY A 28 252.654 253.210 243.110 1.00 0.00 C +ATOM 29 CA ARG A 29 252.758 256.918 243.979 1.00 0.00 C +ATOM 30 CA ALA A 30 250.727 260.117 243.582 1.00 0.00 C +ATOM 31 CA VAL A 31 250.183 262.120 246.777 1.00 0.00 C +ATOM 32 CA LEU A 32 253.699 263.092 247.878 1.00 0.00 C +ATOM 33 CA ALA A 33 255.146 266.614 247.744 1.00 0.00 C +ATOM 34 CA ARG A 34 255.063 268.041 251.276 1.00 0.00 C +ATOM 35 CA ARG A 35 253.886 268.227 254.894 1.00 0.00 C +ATOM 36 CA ARG A 36 251.045 268.534 257.414 1.00 0.00 C +ATOM 37 CA ALA A 37 250.650 271.837 259.272 1.00 0.00 C +ATOM 38 CA ARG A 38 251.097 271.639 263.051 1.00 0.00 C +ATOM 39 CA GLY A 39 250.526 273.720 266.191 1.00 0.00 C +ATOM 40 CA ARG A 40 249.557 274.848 269.699 1.00 0.00 C +ATOM 41 CA LYS A 41 248.632 278.527 270.052 1.00 0.00 C +ATOM 42 CA LYS A 42 251.169 281.167 271.107 1.00 0.00 C +ATOM 43 CA LEU A 43 253.867 283.774 271.770 1.00 0.00 C +ATOM 44 CA THR A 44 252.161 286.554 273.738 1.00 0.00 C +ATOM 45 CA VAL A 45 249.824 288.942 275.570 1.00 0.00 C +ATOM 46 CA SER A 46 249.846 287.929 279.243 1.00 0.00 C +ATOM 47 CA SER A 47 247.328 285.160 279.955 1.00 0.00 C +ATOM 48 CA GLU A 48 244.443 283.483 281.794 1.00 0.00 C +ATOM 49 CA GLY A 49 244.932 284.044 285.531 1.00 0.00 C +TER 50 GLY A 49 +END diff --git a/Bacteria/Q02AD2/Q02AD2.dcd b/Bacteria/Q02AD2/Q02AD2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a12ba911e48a1949c149967be286e4b569714f4d --- /dev/null +++ b/Bacteria/Q02AD2/Q02AD2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7c57deda4d78093b9af5c9ea997bdfffac419eb47befd421be88dde334dc370b +size 17480276 diff --git a/Bacteria/Q02AD2/top.pdb b/Bacteria/Q02AD2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a3ff9428619f28c8f182f16b08145a87c71f6386 --- /dev/null +++ b/Bacteria/Q02AD2/top.pdb @@ -0,0 +1,143 @@ +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 1 245.064 232.422 256.875 1.00 0.00 C +ATOM 2 CA PRO A 2 241.784 234.185 257.684 1.00 0.00 C +ATOM 3 CA GLU A 3 241.334 237.962 257.464 1.00 0.00 C +ATOM 4 CA LYS A 4 241.110 239.291 261.028 1.00 0.00 C +ATOM 5 CA ARG A 5 237.832 241.166 261.537 1.00 0.00 C +ATOM 6 CA THR A 6 234.646 243.251 261.659 1.00 0.00 C +ATOM 7 CA LEU A 7 234.440 246.158 259.205 1.00 0.00 C +ATOM 8 CA GLU A 8 234.582 244.573 255.743 1.00 0.00 C +ATOM 9 CA ARG A 9 237.986 244.098 254.099 1.00 0.00 C +ATOM 10 CA ALA A 10 239.732 242.603 251.061 1.00 0.00 C +ATOM 11 CA GLN A 11 243.388 241.556 250.834 1.00 0.00 C +ATOM 12 CA LYS A 12 245.985 240.893 253.542 1.00 0.00 C +ATOM 13 CA ASP A 13 249.626 240.625 252.451 1.00 0.00 C +ATOM 14 CA ALA A 14 252.359 242.981 251.229 1.00 0.00 C +ATOM 15 CA GLU A 15 255.801 241.915 252.466 1.00 0.00 C +ATOM 16 CA GLU A 16 257.496 243.580 255.444 1.00 0.00 C +ATOM 17 CA GLY A 17 255.579 246.227 257.403 1.00 0.00 C +ATOM 18 CA LYS A 18 255.458 244.898 260.972 1.00 0.00 C +ATOM 19 CA ALA A 19 259.019 244.917 262.326 1.00 0.00 C +ATOM 20 CA PRO A 20 262.653 244.917 261.183 1.00 0.00 C +ATOM 21 CA SER A 21 263.078 247.546 258.458 1.00 0.00 C +ATOM 22 CA THR A 22 264.271 248.292 254.917 1.00 0.00 C +ATOM 23 CA GLN A 23 262.845 250.263 251.985 1.00 0.00 C +ATOM 24 CA ALA A 24 261.449 249.895 248.459 1.00 0.00 C +ATOM 25 CA GLY A 25 259.464 247.274 246.532 1.00 0.00 C +ATOM 26 CA GLU A 26 257.929 248.710 243.355 1.00 0.00 C +ATOM 27 CA PHE A 27 254.418 249.858 242.422 1.00 0.00 C +ATOM 28 CA VAL A 28 253.064 253.101 240.952 1.00 0.00 C +ATOM 29 CA ARG A 29 251.824 253.326 237.356 1.00 0.00 C +ATOM 30 CA GLU A 30 248.444 251.809 236.469 1.00 0.00 C +ATOM 31 CA GLU A 31 245.390 254.074 236.218 1.00 0.00 C +ATOM 32 CA MET A 32 244.165 256.499 233.547 1.00 0.00 C +ATOM 33 CA ASP A 33 245.247 255.975 229.932 1.00 0.00 C +ATOM 34 CA HIS A 34 243.254 252.949 228.753 1.00 0.00 C +ATOM 35 CA ILE A 35 244.325 250.379 226.152 1.00 0.00 C +ATOM 36 CA ARG A 36 242.385 247.102 226.037 1.00 0.00 C +ATOM 37 CA GLU A 37 243.591 244.891 228.896 1.00 0.00 C +ATOM 38 CA GLY A 38 246.565 245.362 231.231 1.00 0.00 C +ATOM 39 CA LYS A 39 249.407 242.841 230.955 1.00 0.00 C +ATOM 40 CA HIS A 40 251.952 242.221 233.722 1.00 0.00 C +ATOM 41 CA GLY A 41 251.979 240.406 237.072 1.00 0.00 C +ATOM 42 CA ALA A 42 251.295 242.763 239.987 1.00 0.00 C +ATOM 43 CA ARG A 43 253.527 243.083 243.058 1.00 0.00 C +ATOM 44 CA SER A 44 257.161 242.099 242.474 1.00 0.00 C +ATOM 45 CA THR A 45 258.097 238.413 242.244 1.00 0.00 C +ATOM 46 CA LYS A 46 261.686 237.782 241.129 1.00 0.00 C +ATOM 47 CA GLN A 47 262.587 235.910 237.935 1.00 0.00 C +ATOM 48 CA ALA A 48 265.183 233.139 238.238 1.00 0.00 C +ATOM 49 CA ILE A 49 263.661 229.770 237.319 1.00 0.00 C +ATOM 50 CA ALA A 50 259.855 229.715 237.489 1.00 0.00 C +ATOM 51 CA ILE A 51 256.597 228.719 235.784 1.00 0.00 C +ATOM 52 CA GLY A 52 253.835 230.312 237.870 1.00 0.00 C +ATOM 53 CA LEU A 53 251.879 231.451 240.934 1.00 0.00 C +ATOM 54 CA SER A 54 248.340 232.493 241.886 1.00 0.00 C +ATOM 55 CA LYS A 55 247.629 232.884 245.609 1.00 0.00 C +ATOM 56 CA ALA A 56 244.601 231.248 247.242 1.00 0.00 C +ATOM 57 CA ARG A 57 240.850 230.932 247.829 1.00 0.00 C +ATOM 58 CA ARG A 58 237.912 233.126 248.864 1.00 0.00 C +ATOM 59 CA ALA A 59 235.731 234.696 251.565 1.00 0.00 C +ATOM 60 CA GLY A 60 234.009 235.814 254.775 1.00 0.00 C +ATOM 61 CA VAL A 61 233.898 234.588 258.380 1.00 0.00 C +ATOM 62 CA ASP A 62 235.944 235.058 261.560 1.00 0.00 C +ATOM 63 CA LEU A 63 235.440 234.050 265.199 1.00 0.00 C +ATOM 64 CA PRO A 64 236.344 233.007 268.751 1.00 0.00 C +ATOM 65 CA PRO A 65 237.173 234.345 272.220 1.00 0.00 C +ATOM 66 CA PRO A 66 238.881 231.546 274.161 1.00 0.00 C +ATOM 67 CA LYS A 67 242.441 230.254 274.579 1.00 0.00 C +ATOM 68 CA SER A 68 243.568 228.173 271.594 1.00 0.00 C +ATOM 69 CA GLY A 69 244.900 230.706 269.078 1.00 0.00 C +ATOM 70 CA SER A 70 243.418 232.400 266.004 1.00 0.00 C +ATOM 71 CA PRO A 71 245.779 235.019 264.559 1.00 0.00 C +ATOM 72 CA LYS A 72 248.746 237.136 265.669 1.00 0.00 C +ATOM 73 CA VAL A 73 249.240 240.870 266.243 1.00 0.00 C +ATOM 74 CA LYS A 74 249.660 243.087 263.173 1.00 0.00 C +ATOM 75 CA LYS A 75 248.133 245.605 260.756 1.00 0.00 C +ATOM 76 CA GLN A 76 249.866 248.968 260.313 1.00 0.00 C +ATOM 77 CA ALA A 77 250.134 249.456 256.544 1.00 0.00 C +ATOM 78 CA ALA A 78 248.327 247.941 253.552 1.00 0.00 C +ATOM 79 CA ARG A 79 247.442 248.408 249.875 1.00 0.00 C +ATOM 80 CA ASP A 80 247.213 252.150 249.200 1.00 0.00 C +ATOM 81 CA SER A 81 245.031 255.250 249.590 1.00 0.00 C +ATOM 82 CA ALA A 82 244.619 259.013 249.161 1.00 0.00 C +ATOM 83 CA LYS A 83 243.617 262.623 248.469 1.00 0.00 C +ATOM 84 CA GLY A 84 241.291 265.599 248.971 1.00 0.00 C +ATOM 85 CA ALA A 85 237.573 265.452 248.153 1.00 0.00 C +ATOM 86 CA SER A 86 235.925 262.598 250.065 1.00 0.00 C +ATOM 87 CA LYS A 87 235.343 259.124 251.516 1.00 0.00 C +ATOM 88 CA SER A 88 235.050 256.331 254.091 1.00 0.00 C +ATOM 89 CA THR A 89 237.646 255.464 256.741 1.00 0.00 C +ATOM 90 CA ALA A 90 236.162 256.204 260.171 1.00 0.00 C +ATOM 91 CA LYS A 91 238.806 255.642 262.855 1.00 0.00 C +ATOM 92 CA PRO A 92 242.330 254.223 263.153 1.00 0.00 C +ATOM 93 CA ALA A 93 246.089 254.664 263.588 1.00 0.00 C +ATOM 94 CA ALA A 94 249.865 254.343 263.194 1.00 0.00 C +ATOM 95 CA LYS A 95 251.192 254.886 259.664 1.00 0.00 C +ATOM 96 CA ARG A 96 251.561 258.470 258.424 1.00 0.00 C +ATOM 97 CA SER A 97 252.879 258.383 254.850 1.00 0.00 C +ATOM 98 CA ARG A 98 250.289 258.034 252.078 1.00 0.00 C +ATOM 99 CA ALA A 99 251.924 255.888 249.387 1.00 0.00 C +ATOM 100 CA THR A 100 255.493 254.583 249.665 1.00 0.00 C +ATOM 101 CA THR A 101 257.595 253.361 252.598 1.00 0.00 C +ATOM 102 CA ASN A 102 259.705 256.254 253.901 1.00 0.00 C +ATOM 103 CA ALA A 103 259.148 259.025 256.455 1.00 0.00 C +ATOM 104 CA LEU A 104 261.823 261.661 255.814 1.00 0.00 C +ATOM 105 CA LYS A 105 260.563 265.094 254.746 1.00 0.00 C +ATOM 106 CA ARG A 106 258.184 267.314 256.728 1.00 0.00 C +ATOM 107 CA GLU A 107 258.324 266.487 260.445 1.00 0.00 C +ATOM 108 CA GLY A 108 255.429 264.860 262.312 1.00 0.00 C +ATOM 109 CA GLN A 109 251.743 265.808 262.486 1.00 0.00 C +ATOM 110 CA SER A 110 251.033 268.809 264.723 1.00 0.00 C +ATOM 111 CA ALA A 111 247.737 270.688 265.077 1.00 0.00 C +ATOM 112 CA ALA A 112 244.592 271.112 262.969 1.00 0.00 C +ATOM 113 CA SER A 113 244.439 271.353 259.170 1.00 0.00 C +ATOM 114 CA HIS A 114 242.273 270.297 256.218 1.00 0.00 C +ATOM 115 CA LYS A 115 242.902 270.719 252.484 1.00 0.00 C +ATOM 116 CA ALA A 116 239.748 272.103 250.855 1.00 0.00 C +ATOM 117 CA LEU A 117 239.054 272.084 247.108 1.00 0.00 C +ATOM 118 CA SER A 118 240.699 275.279 245.843 1.00 0.00 C +ATOM 119 CA ARG A 119 241.905 274.653 242.284 1.00 0.00 C +ATOM 120 CA GLN A 120 244.434 273.956 239.521 1.00 0.00 C +ATOM 121 CA ALA A 121 246.753 273.655 236.512 1.00 0.00 C +ATOM 122 CA ARG A 122 250.044 275.274 235.482 1.00 0.00 C +ATOM 123 CA SER A 123 253.559 273.914 236.039 1.00 0.00 C +ATOM 124 CA ALA A 124 256.753 274.335 238.074 1.00 0.00 C +ATOM 125 CA ALA A 125 260.435 273.422 238.432 1.00 0.00 C +ATOM 126 CA ALA A 126 262.751 273.335 241.456 1.00 0.00 C +ATOM 127 CA ARG A 127 265.417 270.711 242.182 1.00 0.00 C +ATOM 128 CA ARG A 128 267.885 267.865 242.748 1.00 0.00 C +ATOM 129 CA LYS A 129 269.219 264.319 243.153 1.00 0.00 C +ATOM 130 CA ASN A 130 268.478 260.933 241.572 1.00 0.00 C +ATOM 131 CA THR A 131 269.066 257.460 240.118 1.00 0.00 C +ATOM 132 CA ALA A 132 267.797 254.386 238.260 1.00 0.00 C +ATOM 133 CA SER A 133 270.686 251.905 238.366 1.00 0.00 C +ATOM 134 CA GLY A 134 269.639 248.775 240.269 1.00 0.00 C +ATOM 135 CA GLY A 135 266.342 247.087 241.162 1.00 0.00 C +ATOM 136 CA GLY A 136 264.987 245.240 238.117 1.00 0.00 C +ATOM 137 CA ALA A 137 262.031 246.432 236.030 1.00 0.00 C +ATOM 138 CA GLY A 138 260.656 243.322 234.311 1.00 0.00 C +ATOM 139 CA ALA A 139 261.589 241.833 230.931 1.00 0.00 C +TER 140 ALA A 139 +END diff --git a/Bacteria/Q02PD3/Q02PD3.dcd b/Bacteria/Q02PD3/Q02PD3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..3a14992591ab47df7f79f28de01d66369be2624a --- /dev/null +++ b/Bacteria/Q02PD3/Q02PD3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2d1c6a23dc701ebda6a0c3a7cdd7098b3369efedd63b9d8397de09b7e27ece9b +size 8000276 diff --git a/Bacteria/Q02PD3/top.pdb b/Bacteria/Q02PD3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..143fa278ddbed5d9c1b3df4cea46544721d25a8b --- /dev/null +++ b/Bacteria/Q02PD3/top.pdb @@ -0,0 +1,64 @@ +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 1 251.807 265.865 228.610 1.00 0.00 C +ATOM 2 CA ALA A 2 248.872 264.746 230.766 1.00 0.00 C +ATOM 3 CA VAL A 3 246.543 266.868 232.908 1.00 0.00 C +ATOM 4 CA GLN A 4 244.316 264.753 235.163 1.00 0.00 C +ATOM 5 CA GLN A 5 242.395 261.821 233.670 1.00 0.00 C +ATOM 6 CA ASN A 6 240.572 259.030 231.827 1.00 0.00 C +ATOM 7 CA LYS A 7 242.053 257.084 228.905 1.00 0.00 C +ATOM 8 CA LYS A 8 245.152 254.996 228.161 1.00 0.00 C +ATOM 9 CA SER A 9 247.511 255.479 231.113 1.00 0.00 C +ATOM 10 CA ARG A 10 249.322 257.645 233.672 1.00 0.00 C +ATOM 11 CA SER A 11 251.277 258.202 236.894 1.00 0.00 C +ATOM 12 CA ALA A 12 250.296 257.196 240.436 1.00 0.00 C +ATOM 13 CA ARG A 13 250.243 258.321 244.076 1.00 0.00 C +ATOM 14 CA ASP A 14 253.055 256.505 245.895 1.00 0.00 C +ATOM 15 CA MET A 15 253.967 258.243 249.160 1.00 0.00 C +ATOM 16 CA ARG A 16 251.459 261.099 249.414 1.00 0.00 C +ATOM 17 CA ARG A 17 248.415 262.770 250.983 1.00 0.00 C +ATOM 18 CA SER A 18 246.190 264.524 248.435 1.00 0.00 C +ATOM 19 CA HIS A 19 242.867 266.113 247.460 1.00 0.00 C +ATOM 20 CA ASP A 20 243.042 269.894 247.895 1.00 0.00 C +ATOM 21 CA ALA A 21 246.535 271.415 247.914 1.00 0.00 C +ATOM 22 CA LEU A 22 249.915 272.687 249.128 1.00 0.00 C +ATOM 23 CA GLU A 23 252.055 272.707 252.280 1.00 0.00 C +ATOM 24 CA SER A 24 254.531 272.429 255.162 1.00 0.00 C +ATOM 25 CA ASN A 25 254.169 273.133 258.889 1.00 0.00 C +ATOM 26 CA ALA A 26 251.157 271.249 260.265 1.00 0.00 C +ATOM 27 CA LEU A 27 248.745 270.314 257.467 1.00 0.00 C +ATOM 28 CA SER A 28 245.494 268.409 258.032 1.00 0.00 C +ATOM 29 CA VAL A 29 244.851 266.974 261.502 1.00 0.00 C +ATOM 30 CA GLU A 30 246.168 264.254 263.822 1.00 0.00 C +ATOM 31 CA LYS A 31 245.336 260.681 262.792 1.00 0.00 C +ATOM 32 CA SER A 32 245.691 257.461 260.787 1.00 0.00 C +ATOM 33 CA THR A 33 248.920 256.772 258.884 1.00 0.00 C +ATOM 34 CA GLY A 34 249.711 253.163 257.956 1.00 0.00 C +ATOM 35 CA GLU A 35 250.663 249.474 257.923 1.00 0.00 C +ATOM 36 CA VAL A 36 249.752 246.280 259.790 1.00 0.00 C +ATOM 37 CA HIS A 37 247.492 244.299 257.448 1.00 0.00 C +ATOM 38 CA LEU A 38 245.653 243.460 254.218 1.00 0.00 C +ATOM 39 CA ARG A 39 247.282 244.564 250.956 1.00 0.00 C +ATOM 40 CA HIS A 40 246.593 242.170 248.072 1.00 0.00 C +ATOM 41 CA HIS A 41 248.609 239.616 246.090 1.00 0.00 C +ATOM 42 CA VAL A 42 251.549 237.319 245.319 1.00 0.00 C +ATOM 43 CA SER A 43 252.478 233.848 246.586 1.00 0.00 C +ATOM 44 CA PRO A 44 254.386 230.566 246.260 1.00 0.00 C +ATOM 45 CA ASP A 45 253.537 228.639 243.085 1.00 0.00 C +ATOM 46 CA GLY A 46 253.456 225.689 240.675 1.00 0.00 C +ATOM 47 CA PHE A 47 250.261 223.615 240.755 1.00 0.00 C +ATOM 48 CA TYR A 48 248.627 222.052 243.821 1.00 0.00 C +ATOM 49 CA ARG A 49 247.516 223.065 247.322 1.00 0.00 C +ATOM 50 CA GLY A 50 250.289 224.130 249.708 1.00 0.00 C +ATOM 51 CA ARG A 51 251.064 225.210 253.279 1.00 0.00 C +ATOM 52 CA LYS A 52 249.844 226.351 256.703 1.00 0.00 C +ATOM 53 CA VAL A 53 249.568 229.113 259.312 1.00 0.00 C +ATOM 54 CA VAL A 54 252.854 229.952 261.049 1.00 0.00 C +ATOM 55 CA ASP A 55 255.448 230.313 263.815 1.00 0.00 C +ATOM 56 CA LYS A 56 258.514 228.053 263.709 1.00 0.00 C +ATOM 57 CA GLY A 57 260.765 229.343 266.498 1.00 0.00 C +ATOM 58 CA SER A 58 262.148 231.148 269.555 1.00 0.00 C +ATOM 59 CA ASP A 59 263.229 229.021 272.526 1.00 0.00 C +ATOM 60 CA GLU A 60 265.792 229.913 275.201 1.00 0.00 C +TER 61 GLU A 60 +END diff --git a/Bacteria/Q02WU0/Q02WU0.dcd b/Bacteria/Q02WU0/Q02WU0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..1b7d72faa66d15d715f9077cf3d76c6f8faa7094 --- /dev/null +++ b/Bacteria/Q02WU0/Q02WU0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:179195e3fea13c568c5994157a9399e25be1bf6a54d8a26ffe8296d769e32d53 +size 7280276 diff --git a/Bacteria/Q02WU0/top.pdb b/Bacteria/Q02WU0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..316d92ccdc0358ba634e2d0791251e7e8a9c23ff --- /dev/null +++ b/Bacteria/Q02WU0/top.pdb @@ -0,0 +1,58 @@ +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 1 225.047 265.035 274.613 1.00 0.00 C +ATOM 2 CA ALA A 2 228.663 265.648 275.645 1.00 0.00 C +ATOM 3 CA LYS A 3 232.457 265.300 275.676 1.00 0.00 C +ATOM 4 CA THR A 4 236.125 265.799 274.774 1.00 0.00 C +ATOM 5 CA LYS A 5 239.104 263.461 275.198 1.00 0.00 C +ATOM 6 CA LYS A 6 238.416 259.718 275.382 1.00 0.00 C +ATOM 7 CA THR A 7 241.446 258.105 277.036 1.00 0.00 C +ATOM 8 CA LYS A 8 244.427 255.987 278.105 1.00 0.00 C +ATOM 9 CA ASN A 9 245.916 254.475 274.941 1.00 0.00 C +ATOM 10 CA LYS A 10 249.590 253.958 274.073 1.00 0.00 C +ATOM 11 CA THR A 11 250.516 250.848 272.077 1.00 0.00 C +ATOM 12 CA GLN A 12 250.358 247.172 273.068 1.00 0.00 C +ATOM 13 CA LYS A 13 250.782 243.495 272.165 1.00 0.00 C +ATOM 14 CA THR A 14 253.590 241.872 270.166 1.00 0.00 C +ATOM 15 CA ASN A 15 253.552 242.315 266.382 1.00 0.00 C +ATOM 16 CA ALA A 16 253.151 239.481 263.868 1.00 0.00 C +ATOM 17 CA LYS A 17 254.684 238.416 260.546 1.00 0.00 C +ATOM 18 CA ALA A 18 257.642 238.760 258.169 1.00 0.00 C +ATOM 19 CA ALA A 19 258.029 240.321 254.715 1.00 0.00 C +ATOM 20 CA LYS A 20 256.080 241.680 251.737 1.00 0.00 C +ATOM 21 CA THR A 21 255.011 245.258 250.985 1.00 0.00 C +ATOM 22 CA PRO A 22 254.920 245.433 247.180 1.00 0.00 C +ATOM 23 CA LYS A 23 252.969 248.021 245.178 1.00 0.00 C +ATOM 24 CA VAL A 24 252.836 251.829 245.211 1.00 0.00 C +ATOM 25 CA THR A 25 251.162 254.831 246.854 1.00 0.00 C +ATOM 26 CA LYS A 26 250.598 258.588 246.561 1.00 0.00 C +ATOM 27 CA ALA A 27 247.023 259.129 245.362 1.00 0.00 C +ATOM 28 CA LYS A 28 244.768 260.992 242.919 1.00 0.00 C +ATOM 29 CA ALA A 29 241.245 261.184 241.481 1.00 0.00 C +ATOM 30 CA LYS A 30 238.149 261.519 239.286 1.00 0.00 C +ATOM 31 CA THR A 31 238.857 259.657 236.038 1.00 0.00 C +ATOM 32 CA ALA A 32 242.491 258.840 235.236 1.00 0.00 C +ATOM 33 CA SER A 33 246.109 258.736 234.046 1.00 0.00 C +ATOM 34 CA LYS A 34 249.309 257.365 232.498 1.00 0.00 C +ATOM 35 CA THR A 35 250.367 254.930 229.765 1.00 0.00 C +ATOM 36 CA ALA A 36 252.250 252.643 227.369 1.00 0.00 C +ATOM 37 CA THR A 37 254.089 249.362 226.765 1.00 0.00 C +ATOM 38 CA THR A 38 252.962 245.769 227.346 1.00 0.00 C +ATOM 39 CA LYS A 39 250.840 244.845 230.373 1.00 0.00 C +ATOM 40 CA LYS A 40 249.307 242.742 233.156 1.00 0.00 C +ATOM 41 CA LYS A 41 248.380 239.185 234.156 1.00 0.00 C +ATOM 42 CA VAL A 42 250.648 236.189 233.523 1.00 0.00 C +ATOM 43 CA VAL A 43 254.100 234.832 232.653 1.00 0.00 C +ATOM 44 CA LYS A 44 256.249 235.685 235.681 1.00 0.00 C +ATOM 45 CA LYS A 45 257.583 237.521 238.741 1.00 0.00 C +ATOM 46 CA PRO A 46 259.185 236.924 242.146 1.00 0.00 C +ATOM 47 CA VAL A 47 261.185 239.329 244.321 1.00 0.00 C +ATOM 48 CA THR A 48 264.253 241.043 242.851 1.00 0.00 C +ATOM 49 CA LYS A 49 264.291 244.776 242.087 1.00 0.00 C +ATOM 50 CA THR A 50 262.471 247.081 239.659 1.00 0.00 C +ATOM 51 CA LYS A 51 259.181 248.735 240.636 1.00 0.00 C +ATOM 52 CA LYS A 52 258.660 251.957 238.670 1.00 0.00 C +ATOM 53 CA ALA A 53 255.754 253.033 236.453 1.00 0.00 C +ATOM 54 CA LYS A 54 253.223 250.185 236.475 1.00 0.00 C +TER 55 LYS A 54 +END diff --git a/Bacteria/Q03120/Q03120.dcd b/Bacteria/Q03120/Q03120.dcd new file mode 100644 index 0000000000000000000000000000000000000000..5869382b044fb3de825de815e1376ec9df3fc9e6 --- /dev/null +++ b/Bacteria/Q03120/Q03120.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2d4f8e5c63a18a01b1e7d93059b63c7616acd89b76666335e0daab492c479f9c +size 6560276 diff --git a/Bacteria/Q03120/top.pdb b/Bacteria/Q03120/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9a29c4d699111bed3da5093afdf34259e1c5e875 --- /dev/null +++ b/Bacteria/Q03120/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 ARG A 1 233.344 254.006 273.986 1.00 0.00 C +ATOM 2 CA VAL A 2 235.233 256.626 271.965 1.00 0.00 C +ATOM 3 CA THR A 3 238.955 255.993 271.453 1.00 0.00 C +ATOM 4 CA THR A 4 241.754 255.119 269.021 1.00 0.00 C +ATOM 5 CA ARG A 5 241.933 252.336 266.425 1.00 0.00 C +ATOM 6 CA SER A 6 243.156 250.477 263.332 1.00 0.00 C +ATOM 7 CA GLN A 7 240.307 248.177 262.281 1.00 0.00 C +ATOM 8 CA ALA A 8 240.234 246.482 258.869 1.00 0.00 C +ATOM 9 CA GLN A 9 237.492 245.831 256.305 1.00 0.00 C +ATOM 10 CA ASP A 10 237.077 244.514 252.754 1.00 0.00 C +ATOM 11 CA ALA A 11 237.437 247.061 249.944 1.00 0.00 C +ATOM 12 CA ALA A 12 236.794 247.614 246.229 1.00 0.00 C +ATOM 13 CA GLY A 13 237.756 245.119 243.515 1.00 0.00 C +ATOM 14 CA LEU A 14 236.645 241.637 242.438 1.00 0.00 C +ATOM 15 CA LYS A 15 236.398 240.447 238.827 1.00 0.00 C +ATOM 16 CA GLU A 16 238.041 237.550 236.978 1.00 0.00 C +ATOM 17 CA LYS A 17 236.277 237.189 233.620 1.00 0.00 C +ATOM 18 CA ALA A 18 238.004 235.258 230.826 1.00 0.00 C +ATOM 19 CA ASP A 19 241.703 236.146 231.033 1.00 0.00 C +ATOM 20 CA LYS A 20 243.858 239.287 230.937 1.00 0.00 C +ATOM 21 CA TYR A 21 244.075 243.038 230.307 1.00 0.00 C +ATOM 22 CA GLU A 22 245.645 244.422 233.490 1.00 0.00 C +ATOM 23 CA VAL A 23 247.768 247.232 234.945 1.00 0.00 C +ATOM 24 CA ARG A 24 251.359 247.909 236.023 1.00 0.00 C +ATOM 25 CA ASN A 25 252.462 249.926 239.061 1.00 0.00 C +ATOM 26 CA HIS A 26 253.453 253.444 237.987 1.00 0.00 C +ATOM 27 CA GLU A 27 255.664 256.335 239.115 1.00 0.00 C +ATOM 28 CA LEU A 28 257.043 259.796 238.319 1.00 0.00 C +ATOM 29 CA GLU A 29 257.821 263.487 238.855 1.00 0.00 C +ATOM 30 CA HIS A 30 259.667 265.146 241.745 1.00 0.00 C +ATOM 31 CA ASN A 31 262.824 266.328 243.521 1.00 0.00 C +ATOM 32 CA ASN A 32 266.612 265.965 243.336 1.00 0.00 C +ATOM 33 CA GLU A 33 269.470 263.446 243.382 1.00 0.00 C +ATOM 34 CA LYS A 34 268.402 260.493 245.541 1.00 0.00 C +ATOM 35 CA LEU A 35 267.357 257.075 246.860 1.00 0.00 C +ATOM 36 CA LYS A 36 268.373 257.068 250.532 1.00 0.00 C +ATOM 37 CA THR A 37 268.479 257.575 254.307 1.00 0.00 C +ATOM 38 CA GLU A 38 265.491 258.520 256.472 1.00 0.00 C +ATOM 39 CA ASN A 39 262.140 256.799 257.039 1.00 0.00 C +ATOM 40 CA SER A 40 260.191 254.076 258.857 1.00 0.00 C +ATOM 41 CA ASP A 41 259.161 251.451 261.420 1.00 0.00 C +ATOM 42 CA LEU A 42 256.330 248.957 260.890 1.00 0.00 C +ATOM 43 CA LYS A 43 253.191 247.237 259.586 1.00 0.00 C +ATOM 44 CA LEU A 44 254.442 243.932 258.163 1.00 0.00 C +ATOM 45 CA ARG A 45 255.176 241.146 260.656 1.00 0.00 C +ATOM 46 CA ILE A 46 257.323 240.439 263.723 1.00 0.00 C +ATOM 47 CA VAL A 47 255.271 239.885 266.885 1.00 0.00 C +ATOM 48 CA SER A 48 252.412 242.004 268.245 1.00 0.00 C +TER 49 SER A 48 +END diff --git a/Bacteria/Q032G6/Q032G6.dcd b/Bacteria/Q032G6/Q032G6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f0379f88793244566ab9272a6873ceb6a073026c --- /dev/null +++ b/Bacteria/Q032G6/Q032G6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:aa84f2f52652a1bf298cd5b1f195cb6620a6f2189fa2351b56e621ac20c2db7d +size 5600276 diff --git a/Bacteria/Q032G6/top.pdb b/Bacteria/Q032G6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..fc7a9e7910ca538efd17dda387d4cfb11ee96863 --- /dev/null +++ b/Bacteria/Q032G6/top.pdb @@ -0,0 +1,44 @@ +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 1 224.249 252.795 217.163 1.00 0.00 C +ATOM 2 CA LYS A 2 227.446 250.753 216.810 1.00 0.00 C +ATOM 3 CA GLY A 3 228.425 247.311 218.117 1.00 0.00 C +ATOM 4 CA ALA A 4 226.234 246.122 220.998 1.00 0.00 C +ATOM 5 CA ILE A 5 227.718 244.616 224.167 1.00 0.00 C +ATOM 6 CA MET A 6 229.010 241.821 226.412 1.00 0.00 C +ATOM 7 CA ALA A 7 232.714 242.407 227.082 1.00 0.00 C +ATOM 8 CA TYR A 8 235.313 242.608 229.861 1.00 0.00 C +ATOM 9 CA LYS A 9 236.364 246.265 230.050 1.00 0.00 C +ATOM 10 CA SER A 10 235.247 248.890 232.575 1.00 0.00 C +ATOM 11 CA HIS A 11 234.323 248.733 236.268 1.00 0.00 C +ATOM 12 CA LYS A 12 234.708 248.493 240.051 1.00 0.00 C +ATOM 13 CA PHE A 13 237.793 247.669 242.130 1.00 0.00 C +ATOM 14 CA GLY A 14 241.125 245.910 242.698 1.00 0.00 C +ATOM 15 CA LYS A 15 243.954 244.276 240.739 1.00 0.00 C +ATOM 16 CA ARG A 16 246.907 241.869 240.685 1.00 0.00 C +ATOM 17 CA ASN A 17 246.283 239.283 243.413 1.00 0.00 C +ATOM 18 CA GLY A 18 249.353 238.271 245.428 1.00 0.00 C +ATOM 19 CA LYS A 19 251.641 239.033 248.378 1.00 0.00 C +ATOM 20 CA LYS A 20 254.065 240.929 250.624 1.00 0.00 C +ATOM 21 CA HIS A 21 252.625 242.485 253.789 1.00 0.00 C +ATOM 22 CA PHE A 22 250.200 244.814 255.583 1.00 0.00 C +ATOM 23 CA ASN A 23 249.825 243.361 259.085 1.00 0.00 C +ATOM 24 CA ALA A 24 248.226 244.123 262.458 1.00 0.00 C +ATOM 25 CA VAL A 25 250.814 244.253 265.251 1.00 0.00 C +ATOM 26 CA GLY A 26 253.565 246.836 264.728 1.00 0.00 C +ATOM 27 CA VAL A 27 254.399 250.363 265.904 1.00 0.00 C +ATOM 28 CA ARG A 28 255.401 252.158 269.112 1.00 0.00 C +ATOM 29 CA THR A 29 257.232 255.069 270.753 1.00 0.00 C +ATOM 30 CA ALA A 30 260.631 256.070 272.153 1.00 0.00 C +ATOM 31 CA PRO A 31 261.666 259.707 272.619 1.00 0.00 C +ATOM 32 CA LYS A 32 262.910 260.947 269.238 1.00 0.00 C +ATOM 33 CA PRO A 33 266.307 259.393 268.488 1.00 0.00 C +ATOM 34 CA GLU A 34 269.619 258.364 266.910 1.00 0.00 C +ATOM 35 CA ALA A 35 271.431 259.643 263.812 1.00 0.00 C +ATOM 36 CA LYS A 36 274.068 262.041 265.158 1.00 0.00 C +ATOM 37 CA LYS A 37 275.770 264.053 267.909 1.00 0.00 C +ATOM 38 CA GLU A 38 279.119 265.846 268.201 1.00 0.00 C +ATOM 39 CA GLU A 39 280.414 267.175 271.529 1.00 0.00 C +ATOM 40 CA LYS A 40 282.906 265.245 273.670 1.00 0.00 C +TER 41 LYS A 40 +END diff --git a/Bacteria/Q035G0/Q035G0.dcd b/Bacteria/Q035G0/Q035G0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d6c1a704bb7a74f7f736bbbbc1c5cd7978963297 --- /dev/null +++ b/Bacteria/Q035G0/Q035G0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7c9de0544fce635cc49fc7b71ce64605c9d342874f399abdb621fe62bf61e2da +size 5480276 diff --git a/Bacteria/Q035G0/top.pdb b/Bacteria/Q035G0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1633f3b2528b6debf1c882ef9e88e93bde24fc4f --- /dev/null +++ b/Bacteria/Q035G0/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 1 270.010 266.220 273.251 1.00 0.00 C +ATOM 2 CA GLU A 2 266.991 267.762 271.511 1.00 0.00 C +ATOM 3 CA LYS A 3 263.472 269.221 271.561 1.00 0.00 C +ATOM 4 CA THR A 4 259.954 269.689 270.177 1.00 0.00 C +ATOM 5 CA ASP A 5 258.327 266.996 268.029 1.00 0.00 C +ATOM 6 CA LEU A 6 256.974 263.450 267.690 1.00 0.00 C +ATOM 7 CA ALA A 7 255.490 260.159 266.472 1.00 0.00 C +ATOM 8 CA SER A 8 254.777 257.100 264.315 1.00 0.00 C +ATOM 9 CA ALA A 9 253.584 258.286 260.897 1.00 0.00 C +ATOM 10 CA ARG A 10 250.051 258.205 259.473 1.00 0.00 C +ATOM 11 CA ARG A 11 246.879 258.075 261.581 1.00 0.00 C +ATOM 12 CA ARG A 12 247.284 256.085 264.804 1.00 0.00 C +ATOM 13 CA MET A 13 246.639 252.988 266.929 1.00 0.00 C +ATOM 14 CA LYS A 14 246.198 249.617 265.210 1.00 0.00 C +ATOM 15 CA SER A 15 245.342 245.908 265.050 1.00 0.00 C +ATOM 16 CA PRO A 16 244.671 244.844 261.453 1.00 0.00 C +ATOM 17 CA ASN A 17 242.576 245.808 258.420 1.00 0.00 C +ATOM 18 CA ILE A 18 239.079 245.467 256.948 1.00 0.00 C +ATOM 19 CA LYS A 19 237.376 242.877 254.732 1.00 0.00 C +ATOM 20 CA THR A 20 235.214 243.641 251.689 1.00 0.00 C +ATOM 21 CA ARG A 21 237.056 242.200 248.682 1.00 0.00 C +ATOM 22 CA LYS A 22 238.830 240.513 245.762 1.00 0.00 C +ATOM 23 CA ARG A 23 239.405 242.888 242.839 1.00 0.00 C +ATOM 24 CA ALA A 24 237.791 241.400 239.725 1.00 0.00 C +ATOM 25 CA LEU A 25 237.287 240.096 236.181 1.00 0.00 C +ATOM 26 CA LYS A 26 240.258 238.483 234.425 1.00 0.00 C +ATOM 27 CA VAL A 27 243.359 238.544 236.638 1.00 0.00 C +ATOM 28 CA LEU A 28 246.832 239.495 235.392 1.00 0.00 C +ATOM 29 CA HIS A 29 247.626 237.874 232.037 1.00 0.00 C +ATOM 30 CA ASP A 30 248.229 236.962 228.387 1.00 0.00 C +ATOM 31 CA ALA A 31 250.549 238.662 225.887 1.00 0.00 C +ATOM 32 CA LYS A 32 252.413 241.781 227.035 1.00 0.00 C +ATOM 33 CA ARG A 33 256.052 242.270 228.052 1.00 0.00 C +ATOM 34 CA LYS A 34 258.062 244.278 230.590 1.00 0.00 C +ATOM 35 CA GLN A 35 259.850 246.424 233.181 1.00 0.00 C +ATOM 36 CA GLN A 36 259.408 250.172 232.660 1.00 0.00 C +ATOM 37 CA LYS A 37 259.501 253.278 234.865 1.00 0.00 C +ATOM 38 CA ASN A 38 258.388 256.337 236.844 1.00 0.00 C +ATOM 39 CA ARG A 39 258.219 255.944 240.629 1.00 0.00 C +TER 40 ARG A 39 +END diff --git a/Bacteria/Q036L7/Q036L7.dcd b/Bacteria/Q036L7/Q036L7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b774f792e334549468e4fdafa46bf3c27bf2c439 --- /dev/null +++ b/Bacteria/Q036L7/Q036L7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:996c1c81bae19c9c05ef694d120a6dcffcbe95c75f25d69e5db7a85dda813acc +size 4640276 diff --git a/Bacteria/Q036L7/top.pdb b/Bacteria/Q036L7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..376bfd4cafbb9fa8394cfbe26eed90650999c525 --- /dev/null +++ b/Bacteria/Q036L7/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 MET A 1 243.988 259.600 270.690 1.00 0.00 C +ATOM 2 CA ILE A 2 247.002 258.289 268.763 1.00 0.00 C +ATOM 3 CA GLN A 3 246.729 256.658 265.331 1.00 0.00 C +ATOM 4 CA ASP A 4 246.521 258.447 261.973 1.00 0.00 C +ATOM 5 CA GLY A 5 246.550 262.067 260.787 1.00 0.00 C +ATOM 6 CA ASP A 6 248.790 265.125 261.169 1.00 0.00 C +ATOM 7 CA ARG A 7 247.914 267.925 258.738 1.00 0.00 C +ATOM 8 CA GLU A 8 246.340 269.964 255.931 1.00 0.00 C +ATOM 9 CA ALA A 9 243.752 268.678 253.448 1.00 0.00 C +ATOM 10 CA SER A 10 243.552 267.504 249.829 1.00 0.00 C +ATOM 11 CA VAL A 11 244.387 265.869 246.490 1.00 0.00 C +ATOM 12 CA VAL A 12 244.951 263.584 243.494 1.00 0.00 C +ATOM 13 CA GLY A 13 243.485 261.031 241.076 1.00 0.00 C +ATOM 14 CA THR A 14 243.518 259.018 237.840 1.00 0.00 C +ATOM 15 CA ASP A 15 245.345 255.695 238.200 1.00 0.00 C +ATOM 16 CA PHE A 16 248.505 255.921 236.084 1.00 0.00 C +ATOM 17 CA GLU A 17 249.494 252.552 234.605 1.00 0.00 C +ATOM 18 CA PRO A 18 247.556 249.612 236.058 1.00 0.00 C +ATOM 19 CA THR A 19 249.162 247.915 239.068 1.00 0.00 C +ATOM 20 CA GLY A 20 250.559 245.390 241.556 1.00 0.00 C +ATOM 21 CA LYS A 21 254.251 246.274 241.877 1.00 0.00 C +ATOM 22 CA SER A 22 255.169 247.634 245.316 1.00 0.00 C +ATOM 23 CA GLY A 23 256.579 244.877 247.536 1.00 0.00 C +ATOM 24 CA MET A 24 258.192 243.163 250.532 1.00 0.00 C +ATOM 25 CA LEU A 25 256.463 240.835 253.004 1.00 0.00 C +ATOM 26 CA PRO A 26 256.372 237.233 251.766 1.00 0.00 C +ATOM 27 CA GLN A 27 257.737 233.766 250.971 1.00 0.00 C +ATOM 28 CA ASN A 28 257.156 230.121 251.913 1.00 0.00 C +ATOM 29 CA SER A 29 256.583 226.434 251.139 1.00 0.00 C +ATOM 30 CA ALA A 30 256.071 222.765 250.250 1.00 0.00 C +ATOM 31 CA PHE A 31 254.263 219.732 251.680 1.00 0.00 C +ATOM 32 CA SER A 32 253.065 216.322 252.885 1.00 0.00 C +TER 33 SER A 32 +END diff --git a/Bacteria/Q036U1/Q036U1.dcd b/Bacteria/Q036U1/Q036U1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..01d81160b96a580d9b6002fdf11d76726d3619ac --- /dev/null +++ b/Bacteria/Q036U1/Q036U1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:37f76c93313458e2db072ed2e2a5295779ffb7784e847588deb3c84c05a4410f +size 5240276 diff --git a/Bacteria/Q036U1/top.pdb b/Bacteria/Q036U1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..28aae121d5171cae880ad2ccda28ad84e998d364 --- /dev/null +++ b/Bacteria/Q036U1/top.pdb @@ -0,0 +1,41 @@ +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 1 257.495 268.692 223.416 1.00 0.00 C +ATOM 2 CA ALA A 2 256.554 266.127 226.071 1.00 0.00 C +ATOM 3 CA GLU A 3 254.818 264.520 229.058 1.00 0.00 C +ATOM 4 CA LYS A 4 253.408 266.391 232.062 1.00 0.00 C +ATOM 5 CA THR A 5 250.160 266.276 234.050 1.00 0.00 C +ATOM 6 CA ASP A 6 250.310 263.480 236.634 1.00 0.00 C +ATOM 7 CA TYR A 7 247.918 262.605 239.467 1.00 0.00 C +ATOM 8 CA ALA A 8 247.195 260.341 242.445 1.00 0.00 C +ATOM 9 CA SER A 9 247.076 259.527 246.165 1.00 0.00 C +ATOM 10 CA ALA A 10 248.528 256.067 246.823 1.00 0.00 C +ATOM 11 CA ALA A 11 251.773 254.575 245.496 1.00 0.00 C +ATOM 12 CA ARG A 12 253.691 253.559 248.627 1.00 0.00 C +ATOM 13 CA ARG A 13 252.291 251.300 251.357 1.00 0.00 C +ATOM 14 CA LEU A 14 250.794 250.340 254.726 1.00 0.00 C +ATOM 15 CA LYS A 15 252.434 250.492 258.162 1.00 0.00 C +ATOM 16 CA SER A 16 254.525 247.342 258.635 1.00 0.00 C +ATOM 17 CA LYS A 17 255.835 246.440 255.172 1.00 0.00 C +ATOM 18 CA ASN A 18 254.772 243.061 253.768 1.00 0.00 C +ATOM 19 CA PRO A 19 256.467 240.548 251.460 1.00 0.00 C +ATOM 20 CA LYS A 20 259.973 239.480 252.500 1.00 0.00 C +ATOM 21 CA THR A 21 259.972 237.523 255.769 1.00 0.00 C +ATOM 22 CA ARG A 22 259.246 238.714 259.315 1.00 0.00 C +ATOM 23 CA SER A 23 256.889 239.504 262.202 1.00 0.00 C +ATOM 24 CA ARG A 24 253.162 239.296 262.967 1.00 0.00 C +ATOM 25 CA ALA A 25 250.653 237.818 260.509 1.00 0.00 C +ATOM 26 CA LYS A 26 248.671 237.164 257.322 1.00 0.00 C +ATOM 27 CA ARG A 27 250.367 238.952 254.416 1.00 0.00 C +ATOM 28 CA VAL A 28 249.776 239.682 250.724 1.00 0.00 C +ATOM 29 CA ILE A 29 246.967 242.212 250.247 1.00 0.00 C +ATOM 30 CA LYS A 30 244.262 242.930 252.832 1.00 0.00 C +ATOM 31 CA ALA A 31 244.319 245.067 255.986 1.00 0.00 C +ATOM 32 CA VAL A 32 242.309 244.695 259.202 1.00 0.00 C +ATOM 33 CA LYS A 33 238.689 245.871 259.033 1.00 0.00 C +ATOM 34 CA LYS A 34 236.931 249.251 259.013 1.00 0.00 C +ATOM 35 CA PRO A 35 236.101 250.139 255.402 1.00 0.00 C +ATOM 36 CA VAL A 36 238.027 253.156 254.098 1.00 0.00 C +ATOM 37 CA LYS A 37 237.635 256.867 254.869 1.00 0.00 C +TER 38 LYS A 37 +END diff --git a/Bacteria/Q037C8/Q037C8.dcd b/Bacteria/Q037C8/Q037C8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..455318ea865743b426f4c72ce697ee0e15a843ab --- /dev/null +++ b/Bacteria/Q037C8/Q037C8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:94623d3adf5c948a7581dc4de41960fc6c6767cc041e0e13b2fd391224ee7775 +size 6080276 diff --git a/Bacteria/Q037C8/top.pdb b/Bacteria/Q037C8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..740d2be89163bbd2508c47cfa9db1b9ac52576c1 --- /dev/null +++ b/Bacteria/Q037C8/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 MET A 1 253.399 261.708 222.306 1.00 0.00 C +ATOM 2 CA ALA A 2 256.725 260.173 223.354 1.00 0.00 C +ATOM 3 CA PHE A 3 256.632 256.438 222.608 1.00 0.00 C +ATOM 4 CA HIS A 4 257.650 254.239 225.548 1.00 0.00 C +ATOM 5 CA LEU A 5 256.106 255.043 228.938 1.00 0.00 C +ATOM 6 CA PRO A 6 254.662 256.358 232.209 1.00 0.00 C +ATOM 7 CA SER A 7 256.067 259.883 232.544 1.00 0.00 C +ATOM 8 CA PRO A 8 257.464 261.916 235.448 1.00 0.00 C +ATOM 9 CA LYS A 9 258.414 260.719 238.938 1.00 0.00 C +ATOM 10 CA ASP A 10 260.272 259.771 242.126 1.00 0.00 C +ATOM 11 CA VAL A 11 258.577 259.891 245.536 1.00 0.00 C +ATOM 12 CA TYR A 12 258.715 257.167 248.197 1.00 0.00 C +ATOM 13 CA LYS A 13 258.376 253.905 246.258 1.00 0.00 C +ATOM 14 CA ASN A 14 257.164 250.298 246.447 1.00 0.00 C +ATOM 15 CA LEU A 15 257.631 247.447 243.963 1.00 0.00 C +ATOM 16 CA LYS A 16 258.601 243.850 244.761 1.00 0.00 C +ATOM 17 CA ASP A 17 255.893 241.867 246.565 1.00 0.00 C +ATOM 18 CA LYS A 18 253.119 239.479 247.621 1.00 0.00 C +ATOM 19 CA LEU A 19 251.271 236.918 245.489 1.00 0.00 C +ATOM 20 CA LYS A 20 251.416 235.407 241.995 1.00 0.00 C +ATOM 21 CA LYS A 21 252.242 238.048 239.377 1.00 0.00 C +ATOM 22 CA GLN A 22 249.473 240.370 238.170 1.00 0.00 C +ATOM 23 CA ARG A 23 246.466 240.702 240.487 1.00 0.00 C +ATOM 24 CA ASP A 24 244.114 241.750 243.294 1.00 0.00 C +ATOM 25 CA LYS A 25 243.559 243.420 246.674 1.00 0.00 C +ATOM 26 CA THR A 26 246.469 244.265 248.983 1.00 0.00 C +ATOM 27 CA LYS A 27 246.812 243.528 252.705 1.00 0.00 C +ATOM 28 CA ALA A 28 248.543 243.858 256.083 1.00 0.00 C +ATOM 29 CA ASP A 29 249.473 241.106 258.548 1.00 0.00 C +ATOM 30 CA LYS A 30 250.444 242.447 261.980 1.00 0.00 C +ATOM 31 CA LYS A 31 251.390 244.797 264.825 1.00 0.00 C +ATOM 32 CA LYS A 32 252.951 248.004 266.164 1.00 0.00 C +ATOM 33 CA GLN A 33 254.110 250.601 268.699 1.00 0.00 C +ATOM 34 CA PRO A 34 252.369 253.362 270.664 1.00 0.00 C +ATOM 35 CA SER A 35 248.791 254.661 270.497 1.00 0.00 C +ATOM 36 CA LYS A 36 247.221 253.241 267.329 1.00 0.00 C +ATOM 37 CA GLU A 37 243.635 254.259 266.540 1.00 0.00 C +ATOM 38 CA ASN A 38 240.057 253.180 265.802 1.00 0.00 C +ATOM 39 CA PRO A 39 237.332 255.132 263.989 1.00 0.00 C +ATOM 40 CA GLY A 40 234.937 256.707 266.498 1.00 0.00 C +ATOM 41 CA VAL A 41 232.361 254.060 267.430 1.00 0.00 C +ATOM 42 CA THR A 42 231.192 250.798 269.015 1.00 0.00 C +ATOM 43 CA THR A 43 233.976 249.000 270.895 1.00 0.00 C +ATOM 44 CA ALA A 44 233.929 250.227 274.501 1.00 0.00 C +TER 45 ALA A 44 +END diff --git a/Bacteria/Q038A1/Q038A1.dcd b/Bacteria/Q038A1/Q038A1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8f1a57c42544243ae966b6905eb774dd9e53ea5b --- /dev/null +++ b/Bacteria/Q038A1/Q038A1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:984b100225cc06dff810fa0d056a6da525c866053699205fffb49bcda1d6ffec +size 8720276 diff --git a/Bacteria/Q038A1/top.pdb b/Bacteria/Q038A1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1f7e0c12450cac04c2ee577b7095ae74bf418331 --- /dev/null +++ b/Bacteria/Q038A1/top.pdb @@ -0,0 +1,70 @@ +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 1 243.922 276.201 240.411 1.00 0.00 C +ATOM 2 CA PRO A 2 241.520 278.147 242.639 1.00 0.00 C +ATOM 3 CA LYS A 3 242.402 277.431 246.275 1.00 0.00 C +ATOM 4 CA PHE A 4 242.531 274.753 248.982 1.00 0.00 C +ATOM 5 CA LYS A 5 240.575 274.100 252.186 1.00 0.00 C +ATOM 6 CA THR A 6 242.269 274.266 255.594 1.00 0.00 C +ATOM 7 CA HIS A 7 243.551 276.285 258.560 1.00 0.00 C +ATOM 8 CA ARG A 8 246.448 274.560 260.336 1.00 0.00 C +ATOM 9 CA ALA A 9 247.630 271.179 259.038 1.00 0.00 C +ATOM 10 CA SER A 10 245.028 268.947 257.377 1.00 0.00 C +ATOM 11 CA ALA A 11 244.450 265.421 256.052 1.00 0.00 C +ATOM 12 CA LYS A 12 244.228 261.632 256.381 1.00 0.00 C +ATOM 13 CA ARG A 13 241.884 258.630 256.261 1.00 0.00 C +ATOM 14 CA PHE A 14 238.866 256.786 254.845 1.00 0.00 C +ATOM 15 CA LYS A 15 237.814 253.393 253.468 1.00 0.00 C +ATOM 16 CA LYS A 16 237.119 249.927 252.049 1.00 0.00 C +ATOM 17 CA THR A 17 237.018 246.583 253.873 1.00 0.00 C +ATOM 18 CA ALA A 18 238.647 243.924 256.061 1.00 0.00 C +ATOM 19 CA SER A 19 239.443 241.416 258.817 1.00 0.00 C +ATOM 20 CA GLY A 20 237.976 237.972 258.112 1.00 0.00 C +ATOM 21 CA ALA A 21 235.995 236.302 255.318 1.00 0.00 C +ATOM 22 CA LEU A 22 234.759 238.341 252.346 1.00 0.00 C +ATOM 23 CA LYS A 23 232.308 240.401 250.280 1.00 0.00 C +ATOM 24 CA ARG A 24 230.642 243.523 248.868 1.00 0.00 C +ATOM 25 CA GLY A 25 226.935 243.770 248.021 1.00 0.00 C +ATOM 26 CA HIS A 26 226.188 242.630 244.463 1.00 0.00 C +ATOM 27 CA ALA A 27 229.208 241.919 242.252 1.00 0.00 C +ATOM 28 CA TYR A 28 231.738 239.114 242.749 1.00 0.00 C +ATOM 29 CA THR A 29 235.051 239.998 244.411 1.00 0.00 C +ATOM 30 CA SER A 30 238.688 240.983 244.974 1.00 0.00 C +ATOM 31 CA HIS A 31 241.678 241.568 242.687 1.00 0.00 C +ATOM 32 CA ARG A 32 245.037 240.182 243.832 1.00 0.00 C +ATOM 33 CA PHE A 33 246.831 236.827 243.623 1.00 0.00 C +ATOM 34 CA HIS A 34 249.561 236.017 246.154 1.00 0.00 C +ATOM 35 CA GLY A 35 249.884 234.102 249.432 1.00 0.00 C +ATOM 36 CA LYS A 36 252.197 234.036 252.459 1.00 0.00 C +ATOM 37 CA THR A 37 252.891 232.406 255.832 1.00 0.00 C +ATOM 38 CA LYS A 38 256.059 233.883 257.349 1.00 0.00 C +ATOM 39 CA LYS A 39 255.803 234.897 261.012 1.00 0.00 C +ATOM 40 CA GLN A 40 256.616 235.963 264.579 1.00 0.00 C +ATOM 41 CA ARG A 41 260.012 235.146 266.101 1.00 0.00 C +ATOM 42 CA ARG A 42 263.014 236.412 264.126 1.00 0.00 C +ATOM 43 CA GLN A 43 266.670 237.463 264.339 1.00 0.00 C +ATOM 44 CA LEU A 44 269.886 238.307 262.479 1.00 0.00 C +ATOM 45 CA ARG A 45 272.565 240.408 260.768 1.00 0.00 C +ATOM 46 CA LYS A 46 274.509 240.521 257.493 1.00 0.00 C +ATOM 47 CA SER A 47 273.063 243.363 255.408 1.00 0.00 C +ATOM 48 CA ALA A 48 271.990 246.970 254.815 1.00 0.00 C +ATOM 49 CA LEU A 49 268.787 247.761 252.909 1.00 0.00 C +ATOM 50 CA VAL A 50 266.527 250.471 251.471 1.00 0.00 C +ATOM 51 CA SER A 51 265.256 253.574 249.663 1.00 0.00 C +ATOM 52 CA HIS A 52 262.994 252.498 246.792 1.00 0.00 C +ATOM 53 CA SER A 53 259.688 253.743 245.364 1.00 0.00 C +ATOM 54 CA ASP A 54 257.762 250.554 244.567 1.00 0.00 C +ATOM 55 CA MET A 55 255.855 250.094 241.300 1.00 0.00 C +ATOM 56 CA LYS A 56 255.700 247.234 238.788 1.00 0.00 C +ATOM 57 CA ARG A 57 254.124 245.725 235.664 1.00 0.00 C +ATOM 58 CA ILE A 58 254.957 248.122 232.823 1.00 0.00 C +ATOM 59 CA ARG A 59 258.692 248.862 232.695 1.00 0.00 C +ATOM 60 CA GLN A 60 260.345 252.150 233.682 1.00 0.00 C +ATOM 61 CA MET A 61 260.021 255.900 233.093 1.00 0.00 C +ATOM 62 CA LEU A 62 261.586 258.652 235.213 1.00 0.00 C +ATOM 63 CA SER A 63 261.204 258.518 239.002 1.00 0.00 C +ATOM 64 CA GLN A 64 258.874 259.876 241.693 1.00 0.00 C +ATOM 65 CA MET A 65 260.856 260.435 244.899 1.00 0.00 C +ATOM 66 CA LYS A 66 263.674 258.826 246.895 1.00 0.00 C +TER 67 LYS A 66 +END diff --git a/Bacteria/Q03B96/Q03B96.dcd b/Bacteria/Q03B96/Q03B96.dcd new file mode 100644 index 0000000000000000000000000000000000000000..3907238995b32f7ffceafa3276681fa6ec9548d8 --- /dev/null +++ b/Bacteria/Q03B96/Q03B96.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1ab95ef3a479a545c105cbbf3eb77ff166a8a0cabad96a428a11416127f6aab2 +size 5600276 diff --git a/Bacteria/Q03B96/top.pdb b/Bacteria/Q03B96/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..416959f889e192927dd2c9490ec732c8fa40dd81 --- /dev/null +++ b/Bacteria/Q03B96/top.pdb @@ -0,0 +1,44 @@ +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 1 251.728 230.547 267.144 1.00 0.00 C +ATOM 2 CA LYS A 2 252.074 233.309 264.543 1.00 0.00 C +ATOM 3 CA THR A 3 251.325 232.285 260.951 1.00 0.00 C +ATOM 4 CA ARG A 4 248.112 231.447 259.082 1.00 0.00 C +ATOM 5 CA LYS A 5 245.098 233.273 257.633 1.00 0.00 C +ATOM 6 CA PRO A 6 242.362 231.511 255.652 1.00 0.00 C +ATOM 7 CA ILE A 7 239.015 233.298 255.996 1.00 0.00 C +ATOM 8 CA GLN A 8 235.763 233.719 254.056 1.00 0.00 C +ATOM 9 CA LYS A 9 234.789 237.402 253.994 1.00 0.00 C +ATOM 10 CA PRO A 10 236.983 240.292 255.156 1.00 0.00 C +ATOM 11 CA LYS A 11 240.377 240.165 256.883 1.00 0.00 C +ATOM 12 CA HIS A 12 243.350 241.823 255.171 1.00 0.00 C +ATOM 13 CA LYS A 13 242.728 245.576 255.376 1.00 0.00 C +ATOM 14 CA ASP A 14 244.860 248.515 254.221 1.00 0.00 C +ATOM 15 CA LEU A 15 246.444 249.929 251.057 1.00 0.00 C +ATOM 16 CA GLU A 16 246.058 253.330 249.384 1.00 0.00 C +ATOM 17 CA SER A 17 246.298 252.565 245.660 1.00 0.00 C +ATOM 18 CA LYS A 18 246.323 249.522 243.367 1.00 0.00 C +ATOM 19 CA THR A 19 246.152 249.036 239.592 1.00 0.00 C +ATOM 20 CA THR A 20 247.099 251.814 237.163 1.00 0.00 C +ATOM 21 CA LYS A 21 245.058 254.998 237.626 1.00 0.00 C +ATOM 22 CA ALA A 22 245.205 258.647 238.712 1.00 0.00 C +ATOM 23 CA LEU A 23 248.318 259.745 240.615 1.00 0.00 C +ATOM 24 CA PRO A 24 247.589 260.647 244.244 1.00 0.00 C +ATOM 25 CA ASP A 25 244.913 262.887 245.774 1.00 0.00 C +ATOM 26 CA ILE A 26 245.592 265.158 248.756 1.00 0.00 C +ATOM 27 CA ALA A 27 245.399 265.271 252.559 1.00 0.00 C +ATOM 28 CA GLU A 28 246.943 265.965 255.973 1.00 0.00 C +ATOM 29 CA LEU A 29 250.477 264.793 256.782 1.00 0.00 C +ATOM 30 CA ARG A 30 253.402 262.851 255.303 1.00 0.00 C +ATOM 31 CA ASN A 31 257.186 262.642 255.698 1.00 0.00 C +ATOM 32 CA ALA A 32 259.687 261.369 253.122 1.00 0.00 C +ATOM 33 CA GLN A 33 258.973 258.724 250.475 1.00 0.00 C +ATOM 34 CA THR A 34 262.369 257.633 249.135 1.00 0.00 C +ATOM 35 CA GLY A 35 263.839 256.194 245.928 1.00 0.00 C +ATOM 36 CA PRO A 36 265.459 252.907 244.888 1.00 0.00 C +ATOM 37 CA GLU A 37 264.630 252.342 241.213 1.00 0.00 C +ATOM 38 CA THR A 38 265.844 251.494 237.702 1.00 0.00 C +ATOM 39 CA TYR A 39 269.318 253.025 237.389 1.00 0.00 C +ATOM 40 CA ALA A 40 272.861 253.351 236.025 1.00 0.00 C +TER 41 ALA A 40 +END diff --git a/Bacteria/Q03B97/Q03B97.dcd b/Bacteria/Q03B97/Q03B97.dcd new file mode 100644 index 0000000000000000000000000000000000000000..3f1099b850c518be3092195cc3b07d2eddd08060 --- /dev/null +++ b/Bacteria/Q03B97/Q03B97.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:db0fdcbfa1973cb286130e51c5dc5dd3989d49bd926025cbf83719d37bb64043 +size 6440276 diff --git a/Bacteria/Q03B97/top.pdb b/Bacteria/Q03B97/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e0875608d2d7db192082f094f34c73224d877cf6 --- /dev/null +++ b/Bacteria/Q03B97/top.pdb @@ -0,0 +1,51 @@ +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 1 240.527 230.699 250.051 1.00 0.00 C +ATOM 2 CA ALA A 2 238.235 228.691 247.765 1.00 0.00 C +ATOM 3 CA SER A 3 236.896 230.700 244.818 1.00 0.00 C +ATOM 4 CA LEU A 4 234.028 232.800 243.447 1.00 0.00 C +ATOM 5 CA SER A 5 231.404 233.780 240.864 1.00 0.00 C +ATOM 6 CA LYS A 6 232.510 236.491 238.426 1.00 0.00 C +ATOM 7 CA GLU A 7 233.969 238.014 235.252 1.00 0.00 C +ATOM 8 CA GLN A 8 236.430 238.475 232.380 1.00 0.00 C +ATOM 9 CA LYS A 9 239.451 240.151 233.986 1.00 0.00 C +ATOM 10 CA LYS A 10 238.897 243.920 234.003 1.00 0.00 C +ATOM 11 CA ALA A 11 240.391 246.853 235.921 1.00 0.00 C +ATOM 12 CA LEU A 12 241.825 246.622 239.444 1.00 0.00 C +ATOM 13 CA ILE A 13 242.167 247.973 242.989 1.00 0.00 C +ATOM 14 CA ALA A 14 240.705 246.368 246.120 1.00 0.00 C +ATOM 15 CA LYS A 15 242.403 243.999 248.573 1.00 0.00 C +ATOM 16 CA VAL A 16 245.062 243.107 251.152 1.00 0.00 C +ATOM 17 CA GLU A 17 246.443 245.553 253.726 1.00 0.00 C +ATOM 18 CA LYS A 18 249.569 246.327 255.762 1.00 0.00 C +ATOM 19 CA GLU A 19 249.259 249.194 258.252 1.00 0.00 C +ATOM 20 CA ARG A 20 246.940 252.014 259.340 1.00 0.00 C +ATOM 21 CA GLN A 21 246.008 255.179 261.245 1.00 0.00 C +ATOM 22 CA ASP A 22 246.752 254.668 264.946 1.00 0.00 C +ATOM 23 CA HIS A 23 248.497 257.695 266.465 1.00 0.00 C +ATOM 24 CA PRO A 24 251.574 259.801 265.681 1.00 0.00 C +ATOM 25 CA GLU A 25 251.318 262.928 263.520 1.00 0.00 C +ATOM 26 CA LYS A 26 254.253 265.213 262.697 1.00 0.00 C +ATOM 27 CA LYS A 27 255.097 268.747 261.547 1.00 0.00 C +ATOM 28 CA SER A 28 256.383 270.258 258.295 1.00 0.00 C +ATOM 29 CA LYS A 29 257.613 271.275 254.835 1.00 0.00 C +ATOM 30 CA LYS A 30 258.229 270.430 251.172 1.00 0.00 C +ATOM 31 CA SER A 31 257.548 266.691 250.893 1.00 0.00 C +ATOM 32 CA GLY A 32 256.432 264.770 253.988 1.00 0.00 C +ATOM 33 CA PHE A 33 253.008 263.098 253.982 1.00 0.00 C +ATOM 34 CA GLU A 34 250.935 260.525 252.086 1.00 0.00 C +ATOM 35 CA THR A 35 251.771 257.213 250.398 1.00 0.00 C +ATOM 36 CA ILE A 36 254.002 254.861 248.396 1.00 0.00 C +ATOM 37 CA ASP A 37 252.194 252.944 245.645 1.00 0.00 C +ATOM 38 CA GLU A 38 253.254 250.146 243.285 1.00 0.00 C +ATOM 39 CA GLU A 39 255.364 247.096 244.156 1.00 0.00 C +ATOM 40 CA ALA A 40 256.482 245.438 247.400 1.00 0.00 C +ATOM 41 CA GLU A 41 258.176 246.930 250.469 1.00 0.00 C +ATOM 42 CA ARG A 42 261.927 246.496 249.954 1.00 0.00 C +ATOM 43 CA LEU A 43 264.512 248.635 251.758 1.00 0.00 C +ATOM 44 CA GLU A 44 268.305 248.281 251.819 1.00 0.00 C +ATOM 45 CA SER A 45 271.972 248.717 250.879 1.00 0.00 C +ATOM 46 CA GLU A 46 273.841 245.413 250.561 1.00 0.00 C +ATOM 47 CA ASN A 47 277.442 244.822 251.658 1.00 0.00 C +TER 48 ASN A 47 +END diff --git a/Bacteria/Q03BQ5/Q03BQ5.dcd b/Bacteria/Q03BQ5/Q03BQ5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..45c86b070b0c629624a51a8a8743ae4ffb4b0306 --- /dev/null +++ b/Bacteria/Q03BQ5/Q03BQ5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:002ef5ad5c2ae85769f3cff9899b7ec847ee91bece9fa6b78ac2162b8f73a980 +size 9440276 diff --git a/Bacteria/Q03BQ5/top.pdb b/Bacteria/Q03BQ5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f1417ce1da0624b5c9c9e2288244ba3a4b4fb7f2 --- /dev/null +++ b/Bacteria/Q03BQ5/top.pdb @@ -0,0 +1,76 @@ +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 1 254.738 234.347 268.118 1.00 0.00 C +ATOM 2 CA SER A 2 254.491 230.580 268.628 1.00 0.00 C +ATOM 3 CA LEU A 3 253.065 229.172 265.387 1.00 0.00 C +ATOM 4 CA ASP A 4 254.878 230.974 262.562 1.00 0.00 C +ATOM 5 CA GLY A 5 254.296 233.221 259.540 1.00 0.00 C +ATOM 6 CA LYS A 6 251.821 232.899 256.661 1.00 0.00 C +ATOM 7 CA VAL A 7 250.369 236.209 255.457 1.00 0.00 C +ATOM 8 CA ASP A 8 252.289 238.842 257.431 1.00 0.00 C +ATOM 9 CA SER A 9 253.738 242.239 258.367 1.00 0.00 C +ATOM 10 CA THR A 10 256.863 244.232 259.248 1.00 0.00 C +ATOM 11 CA LYS A 11 255.833 247.876 259.665 1.00 0.00 C +ATOM 12 CA ASP A 12 252.954 250.198 260.580 1.00 0.00 C +ATOM 13 CA LYS A 13 250.668 249.884 263.612 1.00 0.00 C +ATOM 14 CA ILE A 14 248.486 252.991 263.934 1.00 0.00 C +ATOM 15 CA SER A 15 246.580 256.287 264.079 1.00 0.00 C +ATOM 16 CA GLY A 16 246.659 257.981 260.667 1.00 0.00 C +ATOM 17 CA LYS A 17 250.245 258.235 259.406 1.00 0.00 C +ATOM 18 CA ALA A 18 251.412 255.377 257.173 1.00 0.00 C +ATOM 19 CA LYS A 19 251.641 254.413 253.494 1.00 0.00 C +ATOM 20 CA GLU A 20 248.217 253.224 252.316 1.00 0.00 C +ATOM 21 CA VAL A 21 247.412 249.524 251.900 1.00 0.00 C +ATOM 22 CA GLU A 22 245.970 246.747 249.727 1.00 0.00 C +ATOM 23 CA GLY A 23 242.769 246.954 247.672 1.00 0.00 C +ATOM 24 CA LYS A 24 240.475 249.996 247.668 1.00 0.00 C +ATOM 25 CA VAL A 25 242.442 252.681 249.521 1.00 0.00 C +ATOM 26 CA THR A 26 241.880 255.348 252.184 1.00 0.00 C +ATOM 27 CA GLY A 27 242.547 258.133 254.697 1.00 0.00 C +ATOM 28 CA ASP A 28 245.505 260.280 253.620 1.00 0.00 C +ATOM 29 CA LYS A 29 245.032 263.936 252.659 1.00 0.00 C +ATOM 30 CA ALA A 30 248.396 265.582 251.960 1.00 0.00 C +ATOM 31 CA ARG A 31 249.642 268.739 253.691 1.00 0.00 C +ATOM 32 CA GLU A 32 247.428 270.011 256.519 1.00 0.00 C +ATOM 33 CA THR A 33 243.983 271.528 257.110 1.00 0.00 C +ATOM 34 CA GLN A 34 241.109 269.952 255.167 1.00 0.00 C +ATOM 35 CA GLY A 35 239.675 271.090 251.826 1.00 0.00 C +ATOM 36 CA LYS A 36 241.603 269.278 249.084 1.00 0.00 C +ATOM 37 CA ALA A 37 240.048 268.744 245.647 1.00 0.00 C +ATOM 38 CA GLU A 38 237.544 265.962 244.932 1.00 0.00 C +ATOM 39 CA GLY A 39 238.408 264.683 241.448 1.00 0.00 C +ATOM 40 CA ILE A 40 237.281 262.628 238.445 1.00 0.00 C +ATOM 41 CA LEU A 41 235.058 262.096 235.397 1.00 0.00 C +ATOM 42 CA GLY A 42 236.072 262.348 231.733 1.00 0.00 C +ATOM 43 CA LYS A 43 238.141 259.862 229.719 1.00 0.00 C +ATOM 44 CA ALA A 44 240.352 257.539 231.776 1.00 0.00 C +ATOM 45 CA LYS A 45 240.978 255.946 235.180 1.00 0.00 C +ATOM 46 CA GLU A 46 240.957 252.459 236.714 1.00 0.00 C +ATOM 47 CA LYS A 47 240.369 248.736 237.273 1.00 0.00 C +ATOM 48 CA LEU A 48 243.075 246.081 236.889 1.00 0.00 C +ATOM 49 CA ASP A 49 245.681 243.387 236.206 1.00 0.00 C +ATOM 50 CA ASP A 50 247.216 240.032 235.256 1.00 0.00 C +ATOM 51 CA ALA A 51 250.429 238.068 235.832 1.00 0.00 C +ATOM 52 CA LYS A 52 252.333 234.797 236.270 1.00 0.00 C +ATOM 53 CA ASP A 53 251.694 233.126 239.634 1.00 0.00 C +ATOM 54 CA ALA A 54 249.959 235.122 242.375 1.00 0.00 C +ATOM 55 CA VAL A 55 251.475 237.154 245.219 1.00 0.00 C +ATOM 56 CA LYS A 56 251.389 236.004 248.851 1.00 0.00 C +ATOM 57 CA ASP A 57 254.291 233.747 249.852 1.00 0.00 C +ATOM 58 CA THR A 58 257.610 235.277 248.777 1.00 0.00 C +ATOM 59 CA VAL A 59 260.442 237.629 249.760 1.00 0.00 C +ATOM 60 CA ASP A 60 259.306 241.038 248.494 1.00 0.00 C +ATOM 61 CA ASP A 61 256.075 242.829 249.425 1.00 0.00 C +ATOM 62 CA VAL A 62 253.239 244.674 251.177 1.00 0.00 C +ATOM 63 CA LYS A 63 253.564 247.409 253.809 1.00 0.00 C +ATOM 64 CA SER A 64 256.389 249.955 254.043 1.00 0.00 C +ATOM 65 CA LYS A 65 257.308 251.631 250.747 1.00 0.00 C +ATOM 66 CA LEU A 66 261.102 251.408 250.480 1.00 0.00 C +ATOM 67 CA SER A 67 262.749 248.543 248.584 1.00 0.00 C +ATOM 68 CA THR A 68 265.664 249.520 246.334 1.00 0.00 C +ATOM 69 CA ASP A 69 269.260 248.615 245.458 1.00 0.00 C +ATOM 70 CA LYS A 70 271.611 251.589 245.841 1.00 0.00 C +ATOM 71 CA LYS A 71 273.877 250.600 248.740 1.00 0.00 C +ATOM 72 CA ASP A 72 273.940 251.803 252.355 1.00 0.00 C +TER 73 ASP A 72 +END diff --git a/Bacteria/Q03D56/Q03D56.dcd b/Bacteria/Q03D56/Q03D56.dcd new file mode 100644 index 0000000000000000000000000000000000000000..78c354de0a7a392af8e069ef5899196cda208f76 --- /dev/null +++ b/Bacteria/Q03D56/Q03D56.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6dbf723b74310763acd80e83c0d9be7412cbfe19b40b356e784f5d408234ee60 +size 6080276 diff --git a/Bacteria/Q03D56/top.pdb b/Bacteria/Q03D56/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..052d78a5b8af88270a30da8a2a645f41d8512ddc --- /dev/null +++ b/Bacteria/Q03D56/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 MET A 1 241.853 215.551 250.845 1.00 0.00 C +ATOM 2 CA LYS A 2 241.985 211.769 250.405 1.00 0.00 C +ATOM 3 CA ARG A 3 239.384 210.095 248.180 1.00 0.00 C +ATOM 4 CA THR A 4 236.192 209.373 246.229 1.00 0.00 C +ATOM 5 CA TYR A 5 235.204 212.719 244.698 1.00 0.00 C +ATOM 6 CA GLN A 6 236.811 215.801 246.258 1.00 0.00 C +ATOM 7 CA PRO A 7 240.179 216.406 244.582 1.00 0.00 C +ATOM 8 CA LYS A 8 240.990 219.750 242.946 1.00 0.00 C +ATOM 9 CA LYS A 9 242.305 222.697 244.971 1.00 0.00 C +ATOM 10 CA ARG A 10 242.325 225.524 247.526 1.00 0.00 C +ATOM 11 CA HIS A 11 243.890 228.609 249.123 1.00 0.00 C +ATOM 12 CA ARG A 12 247.522 229.650 248.634 1.00 0.00 C +ATOM 13 CA GLN A 13 248.749 232.794 250.401 1.00 0.00 C +ATOM 14 CA ARG A 14 252.164 234.415 249.924 1.00 0.00 C +ATOM 15 CA VAL A 15 252.711 236.586 253.007 1.00 0.00 C +ATOM 16 CA HIS A 16 250.819 239.488 254.593 1.00 0.00 C +ATOM 17 CA GLY A 17 249.637 242.287 252.295 1.00 0.00 C +ATOM 18 CA PHE A 18 251.572 245.518 252.871 1.00 0.00 C +ATOM 19 CA ARG A 19 250.262 249.091 252.705 1.00 0.00 C +ATOM 20 CA LYS A 20 247.487 251.486 251.664 1.00 0.00 C +ATOM 21 CA ARG A 21 246.308 254.039 254.234 1.00 0.00 C +ATOM 22 CA MET A 22 244.452 257.342 253.825 1.00 0.00 C +ATOM 23 CA SER A 23 245.934 260.643 252.631 1.00 0.00 C +ATOM 24 CA THR A 24 248.913 261.786 250.550 1.00 0.00 C +ATOM 25 CA SER A 25 251.407 263.510 252.858 1.00 0.00 C +ATOM 26 CA ASN A 26 251.669 264.911 256.391 1.00 0.00 C +ATOM 27 CA GLY A 27 252.915 266.186 259.759 1.00 0.00 C +ATOM 28 CA ARG A 28 250.880 267.087 262.851 1.00 0.00 C +ATOM 29 CA LYS A 29 249.304 270.538 263.199 1.00 0.00 C +ATOM 30 CA VAL A 30 249.368 274.224 262.239 1.00 0.00 C +ATOM 31 CA LEU A 31 246.833 275.131 259.543 1.00 0.00 C +ATOM 32 CA ALA A 32 247.652 274.951 255.827 1.00 0.00 C +ATOM 33 CA ARG A 33 251.160 275.483 254.438 1.00 0.00 C +ATOM 34 CA ARG A 34 253.046 272.202 253.994 1.00 0.00 C +ATOM 35 CA ARG A 35 252.625 269.892 250.994 1.00 0.00 C +ATOM 36 CA GLN A 36 255.131 268.778 248.350 1.00 0.00 C +ATOM 37 CA LYS A 37 258.061 270.941 247.232 1.00 0.00 C +ATOM 38 CA GLY A 38 260.765 273.492 246.395 1.00 0.00 C +ATOM 39 CA ARG A 39 261.133 275.703 243.315 1.00 0.00 C +ATOM 40 CA LYS A 40 261.461 275.178 239.555 1.00 0.00 C +ATOM 41 CA VAL A 41 263.417 272.642 237.492 1.00 0.00 C +ATOM 42 CA LEU A 42 267.015 271.645 238.252 1.00 0.00 C +ATOM 43 CA SER A 43 268.774 268.273 238.483 1.00 0.00 C +ATOM 44 CA ALA A 44 269.732 265.812 235.736 1.00 0.00 C +TER 45 ALA A 44 +END diff --git a/Bacteria/Q03G56/Q03G56.dcd b/Bacteria/Q03G56/Q03G56.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a85597c5be9d25f5937abdcad9ee09ab7136448c --- /dev/null +++ b/Bacteria/Q03G56/Q03G56.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:87a95cddffead5cc18509640e6935d4b432d63fc618a504c1a3466156366c683 +size 5000276 diff --git a/Bacteria/Q03G56/top.pdb b/Bacteria/Q03G56/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e281291fe47b3c3dbad5cc8e7538e2f9f64ab471 --- /dev/null +++ b/Bacteria/Q03G56/top.pdb @@ -0,0 +1,39 @@ +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 1 233.212 259.334 250.115 1.00 0.00 C +ATOM 2 CA ASN A 2 233.345 256.550 247.517 1.00 0.00 C +ATOM 3 CA GLN A 3 235.458 254.560 245.049 1.00 0.00 C +ATOM 4 CA GLN A 4 235.727 255.994 241.529 1.00 0.00 C +ATOM 5 CA GLN A 5 237.678 256.418 238.284 1.00 0.00 C +ATOM 6 CA PHE A 6 239.453 253.179 237.349 1.00 0.00 C +ATOM 7 CA GLU A 7 242.879 254.067 235.938 1.00 0.00 C +ATOM 8 CA GLN A 8 246.259 255.726 235.358 1.00 0.00 C +ATOM 9 CA TYR A 9 246.611 258.652 237.773 1.00 0.00 C +ATOM 10 CA GLU A 10 245.665 262.089 239.119 1.00 0.00 C +ATOM 11 CA ARG A 11 244.840 264.028 242.293 1.00 0.00 C +ATOM 12 CA GLU A 12 247.175 263.545 245.264 1.00 0.00 C +ATOM 13 CA TYR A 13 247.271 259.885 246.320 1.00 0.00 C +ATOM 14 CA GLU A 14 247.083 256.453 247.963 1.00 0.00 C +ATOM 15 CA GLN A 15 244.232 256.518 250.490 1.00 0.00 C +ATOM 16 CA GLU A 16 244.725 258.359 253.788 1.00 0.00 C +ATOM 17 CA ARG A 17 248.129 258.134 255.486 1.00 0.00 C +ATOM 18 CA GLU A 18 250.373 255.808 253.470 1.00 0.00 C +ATOM 19 CA ARG A 19 253.653 255.260 251.612 1.00 0.00 C +ATOM 20 CA LYS A 20 257.186 254.663 250.314 1.00 0.00 C +ATOM 21 CA GLU A 21 258.648 251.145 250.344 1.00 0.00 C +ATOM 22 CA VAL A 22 259.588 248.567 252.988 1.00 0.00 C +ATOM 23 CA GLU A 23 259.466 244.766 253.205 1.00 0.00 C +ATOM 24 CA ALA A 24 256.051 243.129 253.624 1.00 0.00 C +ATOM 25 CA LEU A 25 255.495 240.050 251.449 1.00 0.00 C +ATOM 26 CA PHE A 26 256.914 236.610 250.634 1.00 0.00 C +ATOM 27 CA GLY A 27 256.742 233.125 252.166 1.00 0.00 C +ATOM 28 CA LYS A 28 257.241 231.491 255.571 1.00 0.00 C +ATOM 29 CA GLU A 29 254.669 230.955 258.330 1.00 0.00 C +ATOM 30 CA ASN A 30 253.881 233.296 261.231 1.00 0.00 C +ATOM 31 CA ALA A 31 255.152 236.810 260.489 1.00 0.00 C +ATOM 32 CA SER A 32 257.400 239.872 260.199 1.00 0.00 C +ATOM 33 CA GLU A 33 258.882 243.203 261.306 1.00 0.00 C +ATOM 34 CA GLU A 34 262.688 243.213 261.493 1.00 0.00 C +ATOM 35 CA TYR A 35 266.229 244.546 261.939 1.00 0.00 C +TER 36 TYR A 35 +END diff --git a/Bacteria/Q03PC4/Q03PC4.dcd b/Bacteria/Q03PC4/Q03PC4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..ba23c470fe9cd030eea586d501695b252ab6411d --- /dev/null +++ b/Bacteria/Q03PC4/Q03PC4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dbebfe8f7445faf324721018983d80e1445ebc06bb2fb51e67d204193687cd80 +size 5360276 diff --git a/Bacteria/Q03PC4/top.pdb b/Bacteria/Q03PC4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..78bf9fc7052dcfaae4c3f936f3172f74b8859c8c --- /dev/null +++ b/Bacteria/Q03PC4/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 1 226.560 249.049 270.317 1.00 0.00 C +ATOM 2 CA ARG A 2 227.752 250.470 266.989 1.00 0.00 C +ATOM 3 CA LYS A 3 229.804 251.534 263.960 1.00 0.00 C +ATOM 4 CA ALA A 4 232.640 254.077 263.897 1.00 0.00 C +ATOM 5 CA HIS A 5 236.050 252.388 263.710 1.00 0.00 C +ATOM 6 CA PRO A 6 238.851 250.162 265.019 1.00 0.00 C +ATOM 7 CA ASN A 7 239.975 246.899 266.634 1.00 0.00 C +ATOM 8 CA GLY A 8 243.471 245.395 266.799 1.00 0.00 C +ATOM 9 CA VAL A 9 243.764 241.602 267.022 1.00 0.00 C +ATOM 10 CA GLN A 10 244.091 238.783 264.480 1.00 0.00 C +ATOM 11 CA GLY A 11 244.655 237.796 260.843 1.00 0.00 C +ATOM 12 CA ARG A 12 248.345 238.429 260.139 1.00 0.00 C +ATOM 13 CA ARG A 13 251.212 239.622 257.932 1.00 0.00 C +ATOM 14 CA LYS A 14 254.299 240.516 255.886 1.00 0.00 C +ATOM 15 CA VAL A 15 255.659 237.855 253.522 1.00 0.00 C +ATOM 16 CA ASN A 16 257.570 239.716 250.802 1.00 0.00 C +ATOM 17 CA ARG A 17 260.419 238.649 248.510 1.00 0.00 C +ATOM 18 CA LYS A 18 261.679 237.921 244.988 1.00 0.00 C +ATOM 19 CA LYS A 19 263.847 237.527 241.880 1.00 0.00 C +ATOM 20 CA ASP A 20 265.953 236.902 238.767 1.00 0.00 C +ATOM 21 CA ARG A 21 265.844 239.808 236.306 1.00 0.00 C +ATOM 22 CA LYS A 22 263.300 242.632 236.036 1.00 0.00 C +ATOM 23 CA ARG A 23 262.509 245.593 238.299 1.00 0.00 C +ATOM 24 CA ARG A 24 260.160 247.265 240.788 1.00 0.00 C +ATOM 25 CA ASP A 25 259.864 249.216 244.048 1.00 0.00 C +ATOM 26 CA GLU A 26 261.290 252.537 245.254 1.00 0.00 C +ATOM 27 CA ILE A 27 259.873 253.761 248.572 1.00 0.00 C +ATOM 28 CA SER A 28 256.595 255.687 248.321 1.00 0.00 C +ATOM 29 CA ASP A 29 253.575 257.725 249.435 1.00 0.00 C +ATOM 30 CA LEU A 30 251.041 258.065 246.610 1.00 0.00 C +ATOM 31 CA GLN A 31 250.120 260.399 243.743 1.00 0.00 C +ATOM 32 CA ARG A 32 251.871 260.072 240.375 1.00 0.00 C +ATOM 33 CA TRP A 33 252.397 262.786 237.753 1.00 0.00 C +ATOM 34 CA LEU A 34 250.083 265.755 237.165 1.00 0.00 C +ATOM 35 CA LYS A 35 247.007 267.188 235.433 1.00 0.00 C +ATOM 36 CA ASN A 36 243.666 268.709 234.413 1.00 0.00 C +ATOM 37 CA LYS A 37 242.247 271.860 232.807 1.00 0.00 C +ATOM 38 CA LYS A 38 241.960 275.650 232.546 1.00 0.00 C +TER 39 LYS A 38 +END diff --git a/Bacteria/Q03QQ0/Q03QQ0.dcd b/Bacteria/Q03QQ0/Q03QQ0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..9e7b294b08fe64905a1a713e9a08cdf19d69091b --- /dev/null +++ b/Bacteria/Q03QQ0/Q03QQ0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:107ffaabdf6ce1780ed7ca34f75c7a103eb800ddf137b29df6d118f4eb975942 +size 9200276 diff --git a/Bacteria/Q03QQ0/top.pdb b/Bacteria/Q03QQ0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..cf223b30d0085b0f58fd96c919536f77c03bbb11 --- /dev/null +++ b/Bacteria/Q03QQ0/top.pdb @@ -0,0 +1,74 @@ +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 1 210.546 262.219 282.839 1.00 0.00 C +ATOM 2 CA SER A 2 209.225 264.216 279.876 1.00 0.00 C +ATOM 3 CA SER A 3 206.702 264.571 277.044 1.00 0.00 C +ATOM 4 CA THR A 4 204.496 267.493 275.990 1.00 0.00 C +ATOM 5 CA LYS A 5 205.734 268.372 272.495 1.00 0.00 C +ATOM 6 CA GLY A 6 207.426 269.689 269.346 1.00 0.00 C +ATOM 7 CA ASP A 7 210.955 270.800 270.255 1.00 0.00 C +ATOM 8 CA ALA A 8 214.203 268.840 269.899 1.00 0.00 C +ATOM 9 CA ALA A 9 217.132 271.257 269.593 1.00 0.00 C +ATOM 10 CA LYS A 10 219.458 272.389 272.390 1.00 0.00 C +ATOM 11 CA ASP A 11 218.531 271.976 276.062 1.00 0.00 C +ATOM 12 CA LYS A 12 220.950 269.640 277.854 1.00 0.00 C +ATOM 13 CA LEU A 13 221.766 266.207 279.291 1.00 0.00 C +ATOM 14 CA GLN A 14 218.501 264.266 279.591 1.00 0.00 C +ATOM 15 CA GLY A 15 216.221 262.496 277.104 1.00 0.00 C +ATOM 16 CA LYS A 16 215.889 259.004 275.616 1.00 0.00 C +ATOM 17 CA ALA A 17 215.202 255.446 274.441 1.00 0.00 C +ATOM 18 CA LYS A 18 216.682 253.238 271.712 1.00 0.00 C +ATOM 19 CA GLU A 19 215.127 251.225 268.875 1.00 0.00 C +ATOM 20 CA VAL A 20 214.937 248.064 266.756 1.00 0.00 C +ATOM 21 CA THR A 21 215.570 248.750 263.063 1.00 0.00 C +ATOM 22 CA GLY A 22 216.560 246.185 260.426 1.00 0.00 C +ATOM 23 CA LYS A 23 216.867 242.890 262.316 1.00 0.00 C +ATOM 24 CA VAL A 24 220.392 242.747 263.753 1.00 0.00 C +ATOM 25 CA THR A 25 222.872 243.194 260.895 1.00 0.00 C +ATOM 26 CA GLY A 26 226.575 242.718 260.137 1.00 0.00 C +ATOM 27 CA ASP A 27 230.302 242.745 260.928 1.00 0.00 C +ATOM 28 CA LYS A 28 233.103 242.385 263.485 1.00 0.00 C +ATOM 29 CA GLN A 29 235.588 239.672 262.496 1.00 0.00 C +ATOM 30 CA LYS A 30 238.107 240.112 259.672 1.00 0.00 C +ATOM 31 CA GLU A 31 241.803 240.932 259.243 1.00 0.00 C +ATOM 32 CA THR A 32 245.360 240.453 257.965 1.00 0.00 C +ATOM 33 CA GLU A 33 248.728 239.199 259.230 1.00 0.00 C +ATOM 34 CA GLY A 34 252.046 237.342 258.974 1.00 0.00 C +ATOM 35 CA LYS A 35 254.277 239.143 256.465 1.00 0.00 C +ATOM 36 CA ALA A 36 256.413 236.764 254.394 1.00 0.00 C +ATOM 37 CA ASP A 37 257.206 236.174 250.714 1.00 0.00 C +ATOM 38 CA GLN A 38 259.260 235.482 247.581 1.00 0.00 C +ATOM 39 CA LEU A 39 261.159 238.448 246.129 1.00 0.00 C +ATOM 40 CA ALA A 40 260.710 241.462 248.416 1.00 0.00 C +ATOM 41 CA GLY A 41 263.321 244.125 247.641 1.00 0.00 C +ATOM 42 CA LYS A 42 266.033 246.701 248.368 1.00 0.00 C +ATOM 43 CA ALA A 43 268.033 248.225 245.506 1.00 0.00 C +ATOM 44 CA LYS A 44 270.905 248.122 243.003 1.00 0.00 C +ATOM 45 CA ASP A 45 272.614 251.513 243.312 1.00 0.00 C +ATOM 46 CA LYS A 46 275.554 253.757 244.227 1.00 0.00 C +ATOM 47 CA PHE A 47 278.683 251.878 243.134 1.00 0.00 C +ATOM 48 CA ALA A 48 280.256 253.647 240.149 1.00 0.00 C +ATOM 49 CA GLN A 49 278.841 254.438 236.701 1.00 0.00 C +ATOM 50 CA ALA A 50 280.030 252.381 233.722 1.00 0.00 C +ATOM 51 CA LYS A 51 281.993 253.201 230.562 1.00 0.00 C +ATOM 52 CA GLU A 52 285.369 251.620 229.776 1.00 0.00 C +ATOM 53 CA SER A 53 285.984 247.900 229.226 1.00 0.00 C +ATOM 54 CA LEU A 54 284.066 247.106 226.031 1.00 0.00 C +ATOM 55 CA LYS A 55 281.989 249.151 223.578 1.00 0.00 C +ATOM 56 CA GLY A 56 281.792 247.509 220.145 1.00 0.00 C +ATOM 57 CA ALA A 57 278.388 247.804 218.459 1.00 0.00 C +ATOM 58 CA ALA A 58 277.747 249.307 215.017 1.00 0.00 C +ATOM 59 CA ASP A 59 278.934 250.345 211.549 1.00 0.00 C +ATOM 60 CA SER A 60 281.504 248.804 209.196 1.00 0.00 C +ATOM 61 CA ALA A 61 282.992 245.297 209.188 1.00 0.00 C +ATOM 62 CA LYS A 62 284.284 242.231 211.044 1.00 0.00 C +ATOM 63 CA GLU A 63 285.261 241.212 214.583 1.00 0.00 C +ATOM 64 CA HIS A 64 285.486 240.117 218.226 1.00 0.00 C +ATOM 65 CA LEU A 65 285.193 241.277 221.843 1.00 0.00 C +ATOM 66 CA ASP A 66 286.366 240.253 225.320 1.00 0.00 C +ATOM 67 CA ASN A 67 289.046 237.554 225.552 1.00 0.00 C +ATOM 68 CA ALA A 68 291.304 236.257 228.333 1.00 0.00 C +ATOM 69 CA LYS A 69 293.118 238.287 230.998 1.00 0.00 C +ATOM 70 CA LYS A 70 292.331 241.777 232.307 1.00 0.00 C +TER 71 LYS A 70 +END diff --git a/Bacteria/Q03SJ1/Q03SJ1.dcd b/Bacteria/Q03SJ1/Q03SJ1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..fef22f9b06b87e86711ced06037df01f41f3002d --- /dev/null +++ b/Bacteria/Q03SJ1/Q03SJ1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fa1e43f706572ee377df7d8461656d11399f3be7eecac96682bd218433512dec +size 5600276 diff --git a/Bacteria/Q03SJ1/top.pdb b/Bacteria/Q03SJ1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..6bbac53a53ceda7779042a1565a384694bcd5111 --- /dev/null +++ b/Bacteria/Q03SJ1/top.pdb @@ -0,0 +1,44 @@ +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 1 258.869 246.335 270.730 1.00 0.00 C +ATOM 2 CA LYS A 2 256.873 243.198 271.561 1.00 0.00 C +ATOM 3 CA TYR A 3 257.007 240.579 268.798 1.00 0.00 C +ATOM 4 CA THR A 4 254.063 239.290 266.751 1.00 0.00 C +ATOM 5 CA LYS A 5 252.301 235.937 266.338 1.00 0.00 C +ATOM 6 CA ARG A 6 249.718 234.816 268.905 1.00 0.00 C +ATOM 7 CA VAL A 7 246.483 236.743 269.484 1.00 0.00 C +ATOM 8 CA ASP A 8 245.612 240.426 269.923 1.00 0.00 C +ATOM 9 CA THR A 9 248.279 243.135 270.175 1.00 0.00 C +ATOM 10 CA HIS A 10 250.948 245.376 271.716 1.00 0.00 C +ATOM 11 CA LYS A 11 253.316 248.359 271.823 1.00 0.00 C +ATOM 12 CA ASN A 12 252.514 251.281 269.514 1.00 0.00 C +ATOM 13 CA GLN A 13 249.437 251.018 267.284 1.00 0.00 C +ATOM 14 CA LYS A 14 246.791 248.276 267.223 1.00 0.00 C +ATOM 15 CA GLN A 15 245.296 245.686 264.862 1.00 0.00 C +ATOM 16 CA ARG A 16 245.666 244.379 261.303 1.00 0.00 C +ATOM 17 CA ASP A 17 245.812 243.886 257.527 1.00 0.00 C +ATOM 18 CA ALA A 18 249.275 242.441 256.867 1.00 0.00 C +ATOM 19 CA THR A 19 250.568 242.321 253.286 1.00 0.00 C +ATOM 20 CA PHE A 20 250.012 241.745 249.561 1.00 0.00 C +ATOM 21 CA GLU A 21 250.671 244.573 247.094 1.00 0.00 C +ATOM 22 CA LYS A 22 251.323 246.877 244.131 1.00 0.00 C +ATOM 23 CA PHE A 23 254.131 247.890 241.763 1.00 0.00 C +ATOM 24 CA ARG A 24 257.286 249.775 242.765 1.00 0.00 C +ATOM 25 CA LYS A 25 257.499 253.407 241.634 1.00 0.00 C +ATOM 26 CA GLN A 26 257.457 257.188 242.107 1.00 0.00 C +ATOM 27 CA GLN A 27 259.048 259.750 239.779 1.00 0.00 C +ATOM 28 CA ASN A 28 258.730 263.475 239.046 1.00 0.00 C +ATOM 29 CA GLU A 29 257.688 265.675 236.114 1.00 0.00 C +ATOM 30 CA LEU A 30 257.067 263.836 232.836 1.00 0.00 C +ATOM 31 CA SER A 31 255.440 261.816 230.045 1.00 0.00 C +ATOM 32 CA ALA A 32 253.814 259.158 227.853 1.00 0.00 C +ATOM 33 CA ASN A 33 251.014 256.952 229.199 1.00 0.00 C +ATOM 34 CA ARG A 34 247.761 256.952 227.216 1.00 0.00 C +ATOM 35 CA ARG A 35 244.534 256.618 229.214 1.00 0.00 C +ATOM 36 CA GLY A 36 241.289 256.548 227.220 1.00 0.00 C +ATOM 37 CA ILE A 37 238.976 259.401 226.206 1.00 0.00 C +ATOM 38 CA ARG A 38 235.267 258.600 225.858 1.00 0.00 C +ATOM 39 CA ARG A 39 232.355 256.843 227.575 1.00 0.00 C +ATOM 40 CA LYS A 40 229.809 259.439 228.713 1.00 0.00 C +TER 41 LYS A 40 +END diff --git a/Bacteria/Q03V35/Q03V35.dcd b/Bacteria/Q03V35/Q03V35.dcd new file mode 100644 index 0000000000000000000000000000000000000000..4984b2269bec043d0e283c7f65d5d10f2904d6bb --- /dev/null +++ b/Bacteria/Q03V35/Q03V35.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1468fe5a0c39aa65173f16283fc54dc9f2d357d489bba6338b80fda19d01b64e +size 6440276 diff --git a/Bacteria/Q03V35/top.pdb b/Bacteria/Q03V35/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..bee900bf19ddb2186b6625c3b95cfa62b774ddbb --- /dev/null +++ b/Bacteria/Q03V35/top.pdb @@ -0,0 +1,51 @@ +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 1 251.854 266.223 236.497 1.00 0.00 C +ATOM 2 CA VAL A 2 252.993 262.812 235.239 1.00 0.00 C +ATOM 3 CA LEU A 3 253.228 259.419 233.520 1.00 0.00 C +ATOM 4 CA LYS A 4 256.341 259.373 231.325 1.00 0.00 C +ATOM 5 CA LYS A 5 258.969 256.686 231.951 1.00 0.00 C +ATOM 6 CA PRO A 6 259.335 252.896 232.094 1.00 0.00 C +ATOM 7 CA LEU A 7 261.546 250.355 230.312 1.00 0.00 C +ATOM 8 CA ASN A 8 260.348 247.529 228.056 1.00 0.00 C +ATOM 9 CA SER A 9 262.577 244.460 228.416 1.00 0.00 C +ATOM 10 CA PHE A 10 266.180 243.684 227.450 1.00 0.00 C +ATOM 11 CA ALA A 11 268.186 241.454 229.799 1.00 0.00 C +ATOM 12 CA ARG A 12 265.796 239.234 231.768 1.00 0.00 C +ATOM 13 CA ALA A 13 263.988 238.413 235.020 1.00 0.00 C +ATOM 14 CA ARG A 14 264.475 240.850 237.907 1.00 0.00 C +ATOM 15 CA LYS A 15 264.313 244.649 238.145 1.00 0.00 C +ATOM 16 CA VAL A 16 265.127 248.010 236.544 1.00 0.00 C +ATOM 17 CA SER A 17 262.631 250.565 237.870 1.00 0.00 C +ATOM 18 CA HIS A 18 259.075 250.642 239.235 1.00 0.00 C +ATOM 19 CA SER A 19 256.851 248.761 241.690 1.00 0.00 C +ATOM 20 CA ALA A 20 256.479 250.070 245.249 1.00 0.00 C +ATOM 21 CA ALA A 21 257.015 252.618 248.030 1.00 0.00 C +ATOM 22 CA LYS A 22 254.147 255.072 248.550 1.00 0.00 C +ATOM 23 CA LYS A 23 252.872 258.662 248.579 1.00 0.00 C +ATOM 24 CA GLN A 24 249.397 258.828 250.132 1.00 0.00 C +ATOM 25 CA ARG A 25 247.463 262.073 250.632 1.00 0.00 C +ATOM 26 CA GLN A 26 246.647 263.132 254.199 1.00 0.00 C +ATOM 27 CA ALA A 27 247.998 260.450 256.545 1.00 0.00 C +ATOM 28 CA ALA A 28 250.857 258.660 258.316 1.00 0.00 C +ATOM 29 CA ILE A 29 254.021 260.667 259.006 1.00 0.00 C +ATOM 30 CA ALA A 30 256.148 258.716 261.493 1.00 0.00 C +ATOM 31 CA LYS A 31 254.477 256.404 264.019 1.00 0.00 C +ATOM 32 CA LEU A 32 253.594 253.074 262.391 1.00 0.00 C +ATOM 33 CA GLN A 33 249.906 253.351 261.477 1.00 0.00 C +ATOM 34 CA GLN A 34 247.694 250.633 259.982 1.00 0.00 C +ATOM 35 CA TRP A 35 248.269 246.881 260.310 1.00 0.00 C +ATOM 36 CA ALA A 36 246.582 243.487 260.696 1.00 0.00 C +ATOM 37 CA LYS A 37 243.095 242.618 261.963 1.00 0.00 C +ATOM 38 CA GLY A 38 241.664 244.749 264.778 1.00 0.00 C +ATOM 39 CA LYS A 39 237.977 243.821 265.035 1.00 0.00 C +ATOM 40 CA SER A 40 235.705 243.512 268.077 1.00 0.00 C +ATOM 41 CA GLU A 41 232.348 241.710 268.086 1.00 0.00 C +ATOM 42 CA GLU A 42 229.102 241.098 266.188 1.00 0.00 C +ATOM 43 CA LEU A 43 226.013 239.989 268.124 1.00 0.00 C +ATOM 44 CA PRO A 44 223.368 240.937 270.697 1.00 0.00 C +ATOM 45 CA SER A 45 220.409 239.636 272.714 1.00 0.00 C +ATOM 46 CA THR A 46 217.616 241.583 274.425 1.00 0.00 C +ATOM 47 CA LYS A 47 215.325 241.554 277.469 1.00 0.00 C +TER 48 LYS A 47 +END diff --git a/Bacteria/Q03XU7/Q03XU7.dcd b/Bacteria/Q03XU7/Q03XU7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..0435da2f9d6246cdfe78b8668f51a17e6f14677e --- /dev/null +++ b/Bacteria/Q03XU7/Q03XU7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eafb87b94bba0fb4e7d19f6523e414b6c96a2e42bd95bee43520cdf20289152a +size 6440276 diff --git a/Bacteria/Q03XU7/top.pdb b/Bacteria/Q03XU7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..19d55a4b39f1cac3b99c262680dfce50e0683295 --- /dev/null +++ b/Bacteria/Q03XU7/top.pdb @@ -0,0 +1,51 @@ +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 1 215.769 238.940 250.678 1.00 0.00 C +ATOM 2 CA THR A 2 218.549 239.930 253.088 1.00 0.00 C +ATOM 3 CA GLU A 3 220.360 237.397 255.284 1.00 0.00 C +ATOM 4 CA ASN A 4 223.645 236.276 256.854 1.00 0.00 C +ATOM 5 CA LYS A 5 226.932 236.771 258.717 1.00 0.00 C +ATOM 6 CA ASN A 6 227.265 235.222 262.182 1.00 0.00 C +ATOM 7 CA LYS A 7 229.048 232.152 263.562 1.00 0.00 C +ATOM 8 CA ASP A 8 232.464 232.393 265.233 1.00 0.00 C +ATOM 9 CA GLN A 9 236.119 231.724 266.074 1.00 0.00 C +ATOM 10 CA ASN A 10 238.775 234.390 265.478 1.00 0.00 C +ATOM 11 CA LYS A 11 241.988 233.332 263.724 1.00 0.00 C +ATOM 12 CA GLU A 12 244.930 235.494 264.814 1.00 0.00 C +ATOM 13 CA GLU A 13 245.347 239.263 264.440 1.00 0.00 C +ATOM 14 CA GLN A 14 243.543 241.323 261.791 1.00 0.00 C +ATOM 15 CA VAL A 15 239.777 241.795 262.129 1.00 0.00 C +ATOM 16 CA LYS A 16 236.663 243.756 261.144 1.00 0.00 C +ATOM 17 CA ASP A 17 233.823 244.683 258.780 1.00 0.00 C +ATOM 18 CA GLN A 18 233.578 246.645 255.523 1.00 0.00 C +ATOM 19 CA LYS A 19 233.040 248.217 252.094 1.00 0.00 C +ATOM 20 CA GLU A 20 235.092 251.231 250.992 1.00 0.00 C +ATOM 21 CA LYS A 21 237.914 253.656 250.171 1.00 0.00 C +ATOM 22 CA ILE A 22 241.395 252.881 248.830 1.00 0.00 C +ATOM 23 CA ASP A 23 244.848 253.740 247.469 1.00 0.00 C +ATOM 24 CA PRO A 24 248.293 252.901 246.073 1.00 0.00 C +ATOM 25 CA GLU A 25 249.488 251.772 242.636 1.00 0.00 C +ATOM 26 CA SER A 26 246.641 251.042 240.211 1.00 0.00 C +ATOM 27 CA THR A 27 246.727 250.304 236.475 1.00 0.00 C +ATOM 28 CA ALA A 28 250.268 249.190 235.615 1.00 0.00 C +ATOM 29 CA GLU A 29 253.577 247.403 235.009 1.00 0.00 C +ATOM 30 CA ASN A 30 256.368 245.457 236.724 1.00 0.00 C +ATOM 31 CA THR A 31 260.128 246.029 236.491 1.00 0.00 C +ATOM 32 CA ASN A 32 261.818 247.962 239.306 1.00 0.00 C +ATOM 33 CA LEU A 33 262.878 251.526 240.138 1.00 0.00 C +ATOM 34 CA TYR A 34 265.607 253.861 238.867 1.00 0.00 C +ATOM 35 CA GLU A 35 265.663 257.670 238.826 1.00 0.00 C +ATOM 36 CA HIS A 36 265.994 260.707 241.103 1.00 0.00 C +ATOM 37 CA ASP A 37 267.446 263.646 243.044 1.00 0.00 C +ATOM 38 CA PRO A 38 267.399 265.259 246.495 1.00 0.00 C +ATOM 39 CA LYS A 39 270.714 265.370 248.371 1.00 0.00 C +ATOM 40 CA ASN A 40 274.494 264.933 248.185 1.00 0.00 C +ATOM 41 CA ALA A 41 278.047 263.778 247.438 1.00 0.00 C +ATOM 42 CA ASP A 42 281.180 264.153 245.302 1.00 0.00 C +ATOM 43 CA TYR A 43 282.106 266.493 242.442 1.00 0.00 C +ATOM 44 CA LYS A 44 282.433 270.101 243.620 1.00 0.00 C +ATOM 45 CA LYS A 45 280.814 273.151 245.231 1.00 0.00 C +ATOM 46 CA ALA A 46 277.032 273.458 245.582 1.00 0.00 C +ATOM 47 CA ASP A 47 274.023 272.627 247.766 1.00 0.00 C +TER 48 ASP A 47 +END diff --git a/Bacteria/Q03YI1/Q03YI1.dcd b/Bacteria/Q03YI1/Q03YI1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..30cc64da4c3b7dca6b85b6191a34ac5ebae50b3a --- /dev/null +++ b/Bacteria/Q03YI1/Q03YI1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c4391d682aa7da7cb5a6bc538dfb7b27e7420dd9b3978d665f6e24a72e619814 +size 6080276 diff --git a/Bacteria/Q03YI1/top.pdb b/Bacteria/Q03YI1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..dd6481dd5bb707cf103e3d9ed96b360225ea640f --- /dev/null +++ b/Bacteria/Q03YI1/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 MET A 1 263.321 268.246 268.939 1.00 0.00 C +ATOM 2 CA ALA A 2 260.395 266.327 267.432 1.00 0.00 C +ATOM 3 CA LYS A 3 257.375 266.902 265.181 1.00 0.00 C +ATOM 4 CA ILE A 4 256.683 265.662 261.646 1.00 0.00 C +ATOM 5 CA VAL A 5 253.147 266.758 260.746 1.00 0.00 C +ATOM 6 CA ASN A 6 250.211 268.886 259.577 1.00 0.00 C +ATOM 7 CA ARG A 7 247.264 268.668 261.982 1.00 0.00 C +ATOM 8 CA GLU A 8 244.404 266.262 261.240 1.00 0.00 C +ATOM 9 CA GLU A 9 240.661 265.948 261.875 1.00 0.00 C +ATOM 10 CA LYS A 10 238.533 269.092 261.551 1.00 0.00 C +ATOM 11 CA VAL A 11 237.090 271.578 259.051 1.00 0.00 C +ATOM 12 CA SER A 12 236.552 271.838 255.288 1.00 0.00 C +ATOM 13 CA ASN A 13 239.548 271.653 252.942 1.00 0.00 C +ATOM 14 CA SER A 14 240.916 268.475 251.346 1.00 0.00 C +ATOM 15 CA PHE A 15 238.442 265.695 250.531 1.00 0.00 C +ATOM 16 CA GLU A 16 238.783 261.910 250.795 1.00 0.00 C +ATOM 17 CA ASP A 17 240.141 258.567 249.571 1.00 0.00 C +ATOM 18 CA LEU A 18 242.644 255.739 249.071 1.00 0.00 C +ATOM 19 CA ILE A 19 246.425 256.127 248.803 1.00 0.00 C +ATOM 20 CA SER A 20 248.015 252.666 248.902 1.00 0.00 C +ATOM 21 CA LEU A 21 248.206 248.931 248.175 1.00 0.00 C +ATOM 22 CA PRO A 22 246.198 247.381 245.333 1.00 0.00 C +ATOM 23 CA THR A 23 243.983 244.777 247.014 1.00 0.00 C +ATOM 24 CA SER A 24 240.484 244.543 245.524 1.00 0.00 C +ATOM 25 CA GLU A 25 239.061 243.445 242.164 1.00 0.00 C +ATOM 26 CA SER A 26 241.973 243.746 239.726 1.00 0.00 C +ATOM 27 CA ASN A 27 243.230 242.093 236.532 1.00 0.00 C +ATOM 28 CA ASP A 28 245.695 241.373 233.717 1.00 0.00 C +ATOM 29 CA GLU A 29 247.983 239.302 231.482 1.00 0.00 C +ATOM 30 CA THR A 30 249.422 235.838 230.818 1.00 0.00 C +ATOM 31 CA ARG A 31 251.674 232.766 230.926 1.00 0.00 C +ATOM 32 CA LYS A 32 255.038 232.137 232.599 1.00 0.00 C +ATOM 33 CA ALA A 33 256.222 228.888 234.199 1.00 0.00 C +ATOM 34 CA ALA A 34 259.679 228.831 235.800 1.00 0.00 C +ATOM 35 CA LEU A 35 259.644 227.668 239.428 1.00 0.00 C +ATOM 36 CA GLY A 36 259.809 230.322 242.157 1.00 0.00 C +ATOM 37 CA HIS A 37 257.394 231.340 244.923 1.00 0.00 C +ATOM 38 CA ASP A 38 257.433 234.069 247.582 1.00 0.00 C +ATOM 39 CA LYS A 39 257.269 235.178 251.223 1.00 0.00 C +ATOM 40 CA ASP A 40 259.746 236.054 253.982 1.00 0.00 C +ATOM 41 CA GLU A 41 260.903 236.613 257.569 1.00 0.00 C +ATOM 42 CA LYS A 42 264.041 238.130 259.106 1.00 0.00 C +ATOM 43 CA LYS A 43 266.909 235.900 260.254 1.00 0.00 C +ATOM 44 CA LYS A 44 267.451 233.675 263.299 1.00 0.00 C +TER 45 LYS A 44 +END diff --git a/Bacteria/Q04024/Q04024.dcd b/Bacteria/Q04024/Q04024.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d210c9f5831362d23107b9c9ab40c4189e29dab7 --- /dev/null +++ b/Bacteria/Q04024/Q04024.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5d249f3677834d8b94f3e3af0f294bd05b768548d7ea79c883e7a8feaed17691 +size 4400276 diff --git a/Bacteria/Q04024/top.pdb b/Bacteria/Q04024/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a9aae04dea6be8ac5fdefb96d4405971294bd372 --- /dev/null +++ b/Bacteria/Q04024/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 1 247.197 265.736 239.839 1.00 0.00 C +ATOM 2 CA TRP A 2 249.974 267.530 241.733 1.00 0.00 C +ATOM 3 CA GLU A 3 253.277 265.973 240.647 1.00 0.00 C +ATOM 4 CA PRO A 4 256.340 267.434 238.914 1.00 0.00 C +ATOM 5 CA GLU A 5 259.170 269.690 240.104 1.00 0.00 C +ATOM 6 CA ILE A 6 262.176 267.451 240.786 1.00 0.00 C +ATOM 7 CA LYS A 7 263.389 264.449 242.794 1.00 0.00 C +ATOM 8 CA VAL A 8 261.974 260.980 243.490 1.00 0.00 C +ATOM 9 CA GLY A 9 260.395 257.560 244.057 1.00 0.00 C +ATOM 10 CA THR A 10 256.704 257.256 243.163 1.00 0.00 C +ATOM 11 CA THR A 11 254.088 254.489 243.292 1.00 0.00 C +ATOM 12 CA SER A 12 250.649 255.306 244.714 1.00 0.00 C +ATOM 13 CA SER A 13 247.248 256.917 244.117 1.00 0.00 C +ATOM 14 CA ALA A 14 244.340 259.142 245.171 1.00 0.00 C +ATOM 15 CA PRO A 15 241.770 258.539 247.919 1.00 0.00 C +ATOM 16 CA SER A 16 240.676 259.378 251.471 1.00 0.00 C +ATOM 17 CA ASP A 17 241.629 256.447 253.711 1.00 0.00 C +ATOM 18 CA ARG A 18 241.059 252.845 252.607 1.00 0.00 C +ATOM 19 CA ALA A 19 243.056 250.290 254.608 1.00 0.00 C +ATOM 20 CA PRO A 20 244.978 247.052 254.032 1.00 0.00 C +ATOM 21 CA MET A 21 245.042 243.242 254.024 1.00 0.00 C +ATOM 22 CA ALA A 22 244.908 239.587 252.957 1.00 0.00 C +ATOM 23 CA PRO A 23 243.754 236.625 255.056 1.00 0.00 C +ATOM 24 CA ALA A 24 245.731 233.598 256.258 1.00 0.00 C +ATOM 25 CA MET A 25 247.742 230.919 258.073 1.00 0.00 C +ATOM 26 CA PRO A 26 248.441 227.626 259.857 1.00 0.00 C +ATOM 27 CA GLY A 27 247.124 225.580 262.788 1.00 0.00 C +ATOM 28 CA GLY A 28 249.444 222.618 263.390 1.00 0.00 C +ATOM 29 CA ALA A 29 252.764 221.375 264.786 1.00 0.00 C +ATOM 30 CA ALA A 30 254.962 224.367 265.641 1.00 0.00 C +TER 31 ALA A 30 +END diff --git a/Bacteria/Q04EN4/Q04EN4.dcd b/Bacteria/Q04EN4/Q04EN4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..96d8e4fc20595209a401654065bfb85214193a73 --- /dev/null +++ b/Bacteria/Q04EN4/Q04EN4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e53ac384c73884ca0289a4c733f34896d859caa15761869b3b0b29a6157d771f +size 8240276 diff --git a/Bacteria/Q04EN4/top.pdb b/Bacteria/Q04EN4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..43e589b38fb9d786d6b227c15779e3266f2088f1 --- /dev/null +++ b/Bacteria/Q04EN4/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 1 218.338 250.683 235.347 1.00 0.00 C +ATOM 2 CA SER A 2 217.974 247.828 237.844 1.00 0.00 C +ATOM 3 CA LEU A 3 217.296 247.729 241.592 1.00 0.00 C +ATOM 4 CA LYS A 4 217.479 249.456 244.983 1.00 0.00 C +ATOM 5 CA GLU A 5 218.824 247.661 248.063 1.00 0.00 C +ATOM 6 CA LYS A 6 222.606 247.431 247.666 1.00 0.00 C +ATOM 7 CA ALA A 7 224.542 248.441 244.544 1.00 0.00 C +ATOM 8 CA ASP A 8 226.827 246.973 241.872 1.00 0.00 C +ATOM 9 CA SER A 9 229.136 245.244 239.383 1.00 0.00 C +ATOM 10 CA LEU A 10 230.808 241.926 240.227 1.00 0.00 C +ATOM 11 CA LYS A 11 233.016 241.405 243.288 1.00 0.00 C +ATOM 12 CA LYS A 12 232.677 243.332 246.557 1.00 0.00 C +ATOM 13 CA GLU A 13 230.371 244.734 249.246 1.00 0.00 C +ATOM 14 CA ALA A 14 231.958 244.510 252.703 1.00 0.00 C +ATOM 15 CA ALA A 15 233.002 243.610 256.255 1.00 0.00 C +ATOM 16 CA GLY A 16 233.118 246.650 258.549 1.00 0.00 C +ATOM 17 CA MET A 17 230.329 248.938 259.775 1.00 0.00 C +ATOM 18 CA ALA A 18 231.597 252.509 259.376 1.00 0.00 C +ATOM 19 CA LYS A 19 233.259 252.760 255.957 1.00 0.00 C +ATOM 20 CA GLU A 20 231.485 253.472 252.661 1.00 0.00 C +ATOM 21 CA VAL A 21 232.034 255.471 249.464 1.00 0.00 C +ATOM 22 CA GLU A 22 234.062 258.488 248.325 1.00 0.00 C +ATOM 23 CA GLY A 23 236.173 260.972 250.297 1.00 0.00 C +ATOM 24 CA LYS A 24 237.140 259.541 253.693 1.00 0.00 C +ATOM 25 CA ALA A 25 240.571 260.277 255.178 1.00 0.00 C +ATOM 26 CA THR A 26 242.201 261.445 258.417 1.00 0.00 C +ATOM 27 CA GLY A 27 245.152 259.330 259.573 1.00 0.00 C +ATOM 28 CA ASP A 28 246.866 256.187 258.269 1.00 0.00 C +ATOM 29 CA LYS A 29 249.222 253.237 258.779 1.00 0.00 C +ATOM 30 CA VAL A 30 252.016 250.927 257.608 1.00 0.00 C +ATOM 31 CA ARG A 31 253.159 247.326 257.109 1.00 0.00 C +ATOM 32 CA GLU A 32 254.745 245.238 254.345 1.00 0.00 C +ATOM 33 CA GLY A 33 258.495 244.686 254.734 1.00 0.00 C +ATOM 34 CA GLU A 34 262.226 243.917 254.757 1.00 0.00 C +ATOM 35 CA GLY A 35 265.438 244.093 256.798 1.00 0.00 C +ATOM 36 CA LYS A 36 266.433 247.685 257.589 1.00 0.00 C +ATOM 37 CA ALA A 37 265.020 250.236 255.137 1.00 0.00 C +ATOM 38 CA LYS A 38 262.839 252.561 253.050 1.00 0.00 C +ATOM 39 CA GLU A 39 264.226 254.108 249.856 1.00 0.00 C +ATOM 40 CA LYS A 40 262.922 257.123 247.927 1.00 0.00 C +ATOM 41 CA LEU A 41 261.973 259.478 245.086 1.00 0.00 C +ATOM 42 CA SER A 42 259.561 257.702 242.731 1.00 0.00 C +ATOM 43 CA ASP A 43 255.896 256.681 242.932 1.00 0.00 C +ATOM 44 CA LYS A 44 255.135 254.459 245.932 1.00 0.00 C +ATOM 45 CA GLU A 45 256.081 252.393 248.991 1.00 0.00 C +ATOM 46 CA LYS A 46 257.670 249.035 248.146 1.00 0.00 C +ATOM 47 CA ASN A 47 261.314 248.196 247.416 1.00 0.00 C +ATOM 48 CA LYS A 48 264.727 247.243 248.816 1.00 0.00 C +ATOM 49 CA MET A 49 268.289 247.269 247.464 1.00 0.00 C +ATOM 50 CA LYS A 50 270.846 244.921 245.895 1.00 0.00 C +ATOM 51 CA VAL A 51 274.403 244.404 247.159 1.00 0.00 C +ATOM 52 CA ASP A 52 276.542 242.125 249.337 1.00 0.00 C +ATOM 53 CA GLN A 53 275.428 242.638 252.944 1.00 0.00 C +ATOM 54 CA VAL A 54 276.365 244.822 255.923 1.00 0.00 C +ATOM 55 CA GLU A 55 275.115 248.420 255.984 1.00 0.00 C +ATOM 56 CA ARG A 56 274.751 250.538 252.838 1.00 0.00 C +ATOM 57 CA GLN A 57 274.769 253.739 250.771 1.00 0.00 C +ATOM 58 CA GLN A 58 272.345 253.263 247.871 1.00 0.00 C +ATOM 59 CA LYS A 59 273.743 250.449 245.717 1.00 0.00 C +ATOM 60 CA LYS A 60 276.341 248.945 243.370 1.00 0.00 C +ATOM 61 CA HIS A 61 279.992 247.950 242.932 1.00 0.00 C +ATOM 62 CA ASP A 62 283.133 247.190 244.951 1.00 0.00 C +TER 63 ASP A 62 +END diff --git a/Bacteria/Q04EZ5/Q04EZ5.dcd b/Bacteria/Q04EZ5/Q04EZ5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..eb66690c159fa0f8fd240fbfd579d52103ab1c80 --- /dev/null +++ b/Bacteria/Q04EZ5/Q04EZ5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dc57c403f18730ca44f60c497b497de49592e61c6a06570e89b0cfb0ac7408c0 +size 7160276 diff --git a/Bacteria/Q04EZ5/top.pdb b/Bacteria/Q04EZ5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3caa36e4d58536eea9b79500eb9d16eb391f5d2b --- /dev/null +++ b/Bacteria/Q04EZ5/top.pdb @@ -0,0 +1,57 @@ +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 1 227.402 230.081 262.117 1.00 0.00 C +ATOM 2 CA ALA A 2 227.216 230.001 258.312 1.00 0.00 C +ATOM 3 CA LYS A 3 228.678 228.601 255.084 1.00 0.00 C +ATOM 4 CA ILE A 4 230.485 228.351 251.740 1.00 0.00 C +ATOM 5 CA GLN A 5 232.936 229.978 249.318 1.00 0.00 C +ATOM 6 CA LYS A 6 236.579 230.845 248.616 1.00 0.00 C +ATOM 7 CA MET A 7 237.561 234.371 247.558 1.00 0.00 C +ATOM 8 CA GLU A 8 241.297 234.982 247.991 1.00 0.00 C +ATOM 9 CA ASN A 9 243.078 238.338 247.714 1.00 0.00 C +ATOM 10 CA ASP A 10 246.287 239.373 249.488 1.00 0.00 C +ATOM 11 CA PRO A 11 249.341 241.390 248.430 1.00 0.00 C +ATOM 12 CA TYR A 12 252.018 244.090 248.676 1.00 0.00 C +ATOM 13 CA LYS A 13 255.759 243.416 248.416 1.00 0.00 C +ATOM 14 CA LYS A 14 257.507 243.017 251.778 1.00 0.00 C +ATOM 15 CA LEU A 15 259.038 239.534 251.972 1.00 0.00 C +ATOM 16 CA ASP A 16 261.705 239.268 254.680 1.00 0.00 C +ATOM 17 CA ASP A 17 263.671 240.826 257.547 1.00 0.00 C +ATOM 18 CA LEU A 18 264.002 239.169 260.962 1.00 0.00 C +ATOM 19 CA PHE A 19 261.768 238.212 263.896 1.00 0.00 C +ATOM 20 CA ILE A 20 261.575 234.410 263.738 1.00 0.00 C +ATOM 21 CA MET A 21 260.114 231.416 261.888 1.00 0.00 C +ATOM 22 CA PRO A 22 260.834 229.748 258.539 1.00 0.00 C +ATOM 23 CA GLU A 23 264.440 230.097 257.363 1.00 0.00 C +ATOM 24 CA ASP A 24 264.596 232.721 254.605 1.00 0.00 C +ATOM 25 CA GLU A 25 267.416 234.463 252.726 1.00 0.00 C +ATOM 26 CA GLN A 26 267.812 237.902 254.317 1.00 0.00 C +ATOM 27 CA THR A 27 270.178 239.619 256.760 1.00 0.00 C +ATOM 28 CA LYS A 28 270.233 243.382 256.169 1.00 0.00 C +ATOM 29 CA ASN A 29 270.933 247.126 256.272 1.00 0.00 C +ATOM 30 CA SER A 30 271.313 249.293 253.162 1.00 0.00 C +ATOM 31 CA ARG A 31 272.770 252.710 252.315 1.00 0.00 C +ATOM 32 CA LYS A 32 270.807 255.331 250.367 1.00 0.00 C +ATOM 33 CA LYS A 33 267.255 255.073 249.011 1.00 0.00 C +ATOM 34 CA ALA A 34 264.414 257.338 250.159 1.00 0.00 C +ATOM 35 CA LEU A 35 261.097 255.568 249.543 1.00 0.00 C +ATOM 36 CA GLY A 36 258.222 258.067 249.503 1.00 0.00 C +ATOM 37 CA GLN A 37 255.562 260.286 251.092 1.00 0.00 C +ATOM 38 CA LYS A 38 251.853 261.055 251.495 1.00 0.00 C +ATOM 39 CA ASP A 39 249.581 263.914 250.406 1.00 0.00 C +ATOM 40 CA PRO A 40 246.394 263.750 252.489 1.00 0.00 C +ATOM 41 CA LYS A 41 243.631 266.370 252.373 1.00 0.00 C +ATOM 42 CA ASN A 42 242.146 269.307 250.453 1.00 0.00 C +ATOM 43 CA LYS A 43 242.936 270.751 247.017 1.00 0.00 C +ATOM 44 CA ASN A 44 242.392 270.358 243.266 1.00 0.00 C +ATOM 45 CA LYS A 45 239.471 272.549 242.180 1.00 0.00 C +ATOM 46 CA THR A 46 236.728 274.576 240.481 1.00 0.00 C +ATOM 47 CA VAL A 47 235.392 276.999 237.862 1.00 0.00 C +ATOM 48 CA THR A 48 232.068 278.820 238.253 1.00 0.00 C +ATOM 49 CA ASN A 49 228.267 279.057 238.162 1.00 0.00 C +ATOM 50 CA LYS A 50 226.434 277.914 235.024 1.00 0.00 C +ATOM 51 CA GLU A 51 224.458 275.283 233.103 1.00 0.00 C +ATOM 52 CA LYS A 52 225.077 275.210 229.344 1.00 0.00 C +ATOM 53 CA LYS A 53 227.272 275.693 226.268 1.00 0.00 C +TER 54 LYS A 53 +END diff --git a/Bacteria/Q04FC6/Q04FC6.dcd b/Bacteria/Q04FC6/Q04FC6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8c362f14a0ac764adc47cd99fbb5891298a544bc --- /dev/null +++ b/Bacteria/Q04FC6/Q04FC6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:070139f59eeb5bca0dac683c099f282fb94c2a93a4731967b46d73e4b643567c +size 5480276 diff --git a/Bacteria/Q04FC6/top.pdb b/Bacteria/Q04FC6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a5fdf54bd345a0b19c67094667bc96ec15701494 --- /dev/null +++ b/Bacteria/Q04FC6/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 1 243.001 254.101 218.620 1.00 0.00 C +ATOM 2 CA ARG A 2 239.421 252.916 219.162 1.00 0.00 C +ATOM 3 CA SER A 3 236.272 254.881 220.022 1.00 0.00 C +ATOM 4 CA PRO A 4 233.565 252.232 220.434 1.00 0.00 C +ATOM 5 CA LYS A 5 233.619 249.813 217.490 1.00 0.00 C +ATOM 6 CA ILE A 6 236.759 247.965 216.375 1.00 0.00 C +ATOM 7 CA PHE A 7 239.640 248.874 214.053 1.00 0.00 C +ATOM 8 CA LYS A 8 243.424 248.694 213.647 1.00 0.00 C +ATOM 9 CA ARG A 9 246.507 246.457 213.557 1.00 0.00 C +ATOM 10 CA LYS A 10 247.985 246.704 217.060 1.00 0.00 C +ATOM 11 CA LYS A 11 248.152 249.259 219.881 1.00 0.00 C +ATOM 12 CA ILE A 12 246.196 249.357 223.149 1.00 0.00 C +ATOM 13 CA LYS A 13 248.530 249.966 226.098 1.00 0.00 C +ATOM 14 CA ASP A 14 249.601 248.889 229.593 1.00 0.00 C +ATOM 15 CA ASN A 15 247.127 249.002 232.488 1.00 0.00 C +ATOM 16 CA HIS A 16 246.361 247.906 236.056 1.00 0.00 C +ATOM 17 CA MET A 17 246.389 247.943 239.865 1.00 0.00 C +ATOM 18 CA PRO A 18 244.988 249.061 243.227 1.00 0.00 C +ATOM 19 CA LEU A 19 244.882 248.462 246.989 1.00 0.00 C +ATOM 20 CA ASP A 20 246.314 248.897 250.493 1.00 0.00 C +ATOM 21 CA ASN A 21 248.738 251.774 251.097 1.00 0.00 C +ATOM 22 CA LEU A 22 252.470 251.229 251.636 1.00 0.00 C +ATOM 23 CA ASN A 23 253.671 251.902 255.189 1.00 0.00 C +ATOM 24 CA LEU A 24 252.635 250.998 258.742 1.00 0.00 C +ATOM 25 CA GLN A 25 254.232 249.223 261.711 1.00 0.00 C +ATOM 26 CA ASN A 26 253.067 250.389 265.145 1.00 0.00 C +ATOM 27 CA SER A 27 251.910 249.660 268.702 1.00 0.00 C +ATOM 28 CA LYS A 28 251.198 248.135 272.120 1.00 0.00 C +ATOM 29 CA LEU A 29 253.315 247.931 275.281 1.00 0.00 C +ATOM 30 CA ASN A 30 256.754 246.809 274.086 1.00 0.00 C +ATOM 31 CA LYS A 31 259.012 245.818 276.991 1.00 0.00 C +ATOM 32 CA LYS A 32 259.324 248.737 279.420 1.00 0.00 C +ATOM 33 CA MET A 33 261.679 250.294 281.979 1.00 0.00 C +ATOM 34 CA ASN A 34 262.077 250.208 285.767 1.00 0.00 C +ATOM 35 CA ASN A 35 262.589 249.257 289.421 1.00 0.00 C +ATOM 36 CA GLY A 36 262.051 250.040 293.111 1.00 0.00 C +ATOM 37 CA GLN A 37 261.860 253.772 293.853 1.00 0.00 C +ATOM 38 CA VAL A 38 262.082 256.096 296.863 1.00 0.00 C +ATOM 39 CA GLU A 39 262.605 256.351 300.629 1.00 0.00 C +TER 40 GLU A 39 +END diff --git a/Bacteria/Q04GJ5/Q04GJ5.dcd b/Bacteria/Q04GJ5/Q04GJ5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..75d156c3dc3d93962be3290634efe2021b3b0f0a --- /dev/null +++ b/Bacteria/Q04GJ5/Q04GJ5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:113d3c8d0829afee3df79ca238bc708bf56065c91e17c64c9f91df29870bc593 +size 5600276 diff --git a/Bacteria/Q04GJ5/top.pdb b/Bacteria/Q04GJ5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3191656f9ae4b92cff38e9f89b0e7a7d97a7d945 --- /dev/null +++ b/Bacteria/Q04GJ5/top.pdb @@ -0,0 +1,44 @@ +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 1 222.619 242.552 236.357 1.00 0.00 C +ATOM 2 CA ASP A 2 224.582 239.699 234.767 1.00 0.00 C +ATOM 3 CA ASN A 3 227.544 237.516 233.778 1.00 0.00 C +ATOM 4 CA GLY A 4 228.224 233.950 232.622 1.00 0.00 C +ATOM 5 CA LYS A 5 229.451 230.942 234.613 1.00 0.00 C +ATOM 6 CA HIS A 6 232.334 231.383 237.064 1.00 0.00 C +ATOM 7 CA ALA A 7 234.049 230.621 240.380 1.00 0.00 C +ATOM 8 CA LYS A 8 232.546 230.974 243.864 1.00 0.00 C +ATOM 9 CA GLU A 9 232.943 234.336 245.611 1.00 0.00 C +ATOM 10 CA LYS A 10 234.555 235.396 248.897 1.00 0.00 C +ATOM 11 CA THR A 11 236.250 238.146 250.917 1.00 0.00 C +ATOM 12 CA ALA A 12 236.036 240.292 254.058 1.00 0.00 C +ATOM 13 CA SER A 13 239.211 239.552 256.028 1.00 0.00 C +ATOM 14 CA ALA A 14 240.796 242.194 258.270 1.00 0.00 C +ATOM 15 CA LYS A 15 239.342 245.644 258.978 1.00 0.00 C +ATOM 16 CA ILE A 16 238.736 248.493 256.523 1.00 0.00 C +ATOM 17 CA LEU A 17 241.865 250.398 255.476 1.00 0.00 C +ATOM 18 CA GLU A 18 241.955 251.682 251.890 1.00 0.00 C +ATOM 19 CA LYS A 19 243.867 252.595 248.723 1.00 0.00 C +ATOM 20 CA VAL A 20 247.398 254.008 248.492 1.00 0.00 C +ATOM 21 CA LYS A 21 248.654 256.455 245.856 1.00 0.00 C +ATOM 22 CA ASN A 22 249.035 259.917 247.400 1.00 0.00 C +ATOM 23 CA ARG A 23 251.820 262.391 248.198 1.00 0.00 C +ATOM 24 CA LEU A 24 253.769 260.900 251.112 1.00 0.00 C +ATOM 25 CA SER A 25 255.294 260.710 254.598 1.00 0.00 C +ATOM 26 CA ARG A 26 258.928 259.576 254.447 1.00 0.00 C +ATOM 27 CA LYS A 27 260.931 259.033 257.642 1.00 0.00 C +ATOM 28 CA SER A 28 262.315 258.044 261.051 1.00 0.00 C +ATOM 29 CA LYS A 29 263.348 260.197 264.020 1.00 0.00 C +ATOM 30 CA GLY A 30 266.541 258.895 265.641 1.00 0.00 C +ATOM 31 CA LYS A 31 269.346 260.485 263.611 1.00 0.00 C +ATOM 32 CA LYS A 32 268.449 261.496 260.049 1.00 0.00 C +ATOM 33 CA ASN A 33 266.535 261.379 256.757 1.00 0.00 C +ATOM 34 CA LYS A 34 268.179 261.295 253.321 1.00 0.00 C +ATOM 35 CA ASP A 35 269.199 263.173 250.166 1.00 0.00 C +ATOM 36 CA LYS A 36 271.360 261.127 247.787 1.00 0.00 C +ATOM 37 CA SER A 37 274.821 259.615 247.283 1.00 0.00 C +ATOM 38 CA LYS A 38 277.058 257.526 249.552 1.00 0.00 C +ATOM 39 CA LYS A 39 279.655 254.950 248.487 1.00 0.00 C +ATOM 40 CA LYS A 40 280.460 252.463 245.714 1.00 0.00 C +TER 41 LYS A 40 +END diff --git a/Bacteria/Q04GR2/Q04GR2.dcd b/Bacteria/Q04GR2/Q04GR2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..3c32852cbb63334d8238d060fd9a4e1cf0dae251 --- /dev/null +++ b/Bacteria/Q04GR2/Q04GR2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1ba544accde6e03f363799b09020967ca03e4f49e6c1d8c0bff020dba1446ae3 +size 5600276 diff --git a/Bacteria/Q04GR2/top.pdb b/Bacteria/Q04GR2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b5741a16d1f4b73745c0e66dc3c4a7841412e865 --- /dev/null +++ b/Bacteria/Q04GR2/top.pdb @@ -0,0 +1,44 @@ +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 1 243.265 249.847 237.476 1.00 0.00 C +ATOM 2 CA LYS A 2 239.462 249.802 237.709 1.00 0.00 C +ATOM 3 CA SER A 3 238.425 251.561 240.926 1.00 0.00 C +ATOM 4 CA SER A 4 241.367 252.424 243.188 1.00 0.00 C +ATOM 5 CA ASP A 5 241.142 251.697 246.921 1.00 0.00 C +ATOM 6 CA LYS A 6 242.596 249.312 249.512 1.00 0.00 C +ATOM 7 CA LYS A 7 239.617 247.351 250.852 1.00 0.00 C +ATOM 8 CA GLN A 8 240.451 246.249 254.403 1.00 0.00 C +ATOM 9 CA ASN A 9 241.436 247.825 257.729 1.00 0.00 C +ATOM 10 CA LEU A 10 240.830 251.580 257.517 1.00 0.00 C +ATOM 11 CA GLN A 11 240.501 254.491 259.954 1.00 0.00 C +ATOM 12 CA ARG A 12 240.774 257.827 258.135 1.00 0.00 C +ATOM 13 CA LYS A 13 241.069 260.741 260.572 1.00 0.00 C +ATOM 14 CA LEU A 14 243.392 261.160 263.562 1.00 0.00 C +ATOM 15 CA GLU A 15 246.669 261.551 265.467 1.00 0.00 C +ATOM 16 CA SER A 16 249.934 260.059 266.741 1.00 0.00 C +ATOM 17 CA ILE A 17 252.821 258.631 268.777 1.00 0.00 C +ATOM 18 CA ARG A 18 256.101 257.879 266.992 1.00 0.00 C +ATOM 19 CA PRO A 19 258.177 255.474 264.889 1.00 0.00 C +ATOM 20 CA ASN A 20 257.785 253.251 261.819 1.00 0.00 C +ATOM 21 CA LYS A 21 257.752 255.295 258.604 1.00 0.00 C +ATOM 22 CA ALA A 22 258.177 255.237 254.818 1.00 0.00 C +ATOM 23 CA ASP A 23 259.563 252.060 253.236 1.00 0.00 C +ATOM 24 CA GLU A 24 262.094 249.873 251.412 1.00 0.00 C +ATOM 25 CA LYS A 25 260.247 246.680 250.458 1.00 0.00 C +ATOM 26 CA GLN A 26 262.294 243.612 249.501 1.00 0.00 C +ATOM 27 CA ILE A 27 260.334 240.891 247.693 1.00 0.00 C +ATOM 28 CA LEU A 28 257.225 238.812 246.969 1.00 0.00 C +ATOM 29 CA ASN A 29 256.080 237.066 243.782 1.00 0.00 C +ATOM 30 CA LEU A 30 254.501 238.570 240.657 1.00 0.00 C +ATOM 31 CA ALA A 31 254.103 238.447 236.870 1.00 0.00 C +ATOM 32 CA VAL A 32 252.835 240.646 234.029 1.00 0.00 C +ATOM 33 CA ARG A 33 249.115 241.032 234.756 1.00 0.00 C +ATOM 34 CA ARG A 34 247.956 244.416 233.444 1.00 0.00 C +ATOM 35 CA ALA A 35 249.664 247.672 234.444 1.00 0.00 C +ATOM 36 CA ARG A 36 249.713 248.395 238.185 1.00 0.00 C +ATOM 37 CA PRO A 37 253.082 248.664 239.945 1.00 0.00 C +ATOM 38 CA SER A 38 253.303 248.981 243.735 1.00 0.00 C +ATOM 39 CA GLY A 39 251.779 251.466 246.188 1.00 0.00 C +ATOM 40 CA TYR A 40 254.368 253.473 248.133 1.00 0.00 C +TER 41 TYR A 40 +END diff --git a/Bacteria/Q04HJ7/Q04HJ7.dcd b/Bacteria/Q04HJ7/Q04HJ7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..396e56079443825e9e9ecb42632bbdd3fba60d50 --- /dev/null +++ b/Bacteria/Q04HJ7/Q04HJ7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:51200ac165fc49590fc86e859895dcb15173722ac8af5ecadb289b6e6088ecac +size 5480276 diff --git a/Bacteria/Q04HJ7/top.pdb b/Bacteria/Q04HJ7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a81d924eb9ec7e9d42ef951bc9a734e0c0ba0417 --- /dev/null +++ b/Bacteria/Q04HJ7/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 1 254.527 244.960 236.704 1.00 0.00 C +ATOM 2 CA ALA A 2 251.452 246.783 238.023 1.00 0.00 C +ATOM 3 CA ASP A 3 248.032 245.109 237.894 1.00 0.00 C +ATOM 4 CA LYS A 4 248.203 242.023 235.666 1.00 0.00 C +ATOM 5 CA LYS A 5 246.644 238.564 235.320 1.00 0.00 C +ATOM 6 CA ASP A 6 243.892 236.464 236.912 1.00 0.00 C +ATOM 7 CA GLU A 7 244.007 235.712 240.645 1.00 0.00 C +ATOM 8 CA GLN A 8 243.148 237.112 244.083 1.00 0.00 C +ATOM 9 CA GLU A 9 245.414 237.615 247.104 1.00 0.00 C +ATOM 10 CA LYS A 10 247.021 241.069 247.019 1.00 0.00 C +ATOM 11 CA VAL A 11 248.213 243.572 244.407 1.00 0.00 C +ATOM 12 CA ASN A 12 250.917 246.256 244.360 1.00 0.00 C +ATOM 13 CA LYS A 13 254.450 246.264 245.784 1.00 0.00 C +ATOM 14 CA LYS A 14 256.287 247.868 248.712 1.00 0.00 C +ATOM 15 CA ASP A 15 256.460 251.590 249.510 1.00 0.00 C +ATOM 16 CA GLU A 16 258.166 254.233 247.360 1.00 0.00 C +ATOM 17 CA GLU A 17 256.903 255.242 243.910 1.00 0.00 C +ATOM 18 CA ALA A 18 253.541 253.790 242.858 1.00 0.00 C +ATOM 19 CA LYS A 19 251.277 256.705 241.913 1.00 0.00 C +ATOM 20 CA ASN A 20 247.843 257.577 240.511 1.00 0.00 C +ATOM 21 CA THR A 21 244.586 257.480 238.538 1.00 0.00 C +ATOM 22 CA LYS A 22 241.727 256.924 240.995 1.00 0.00 C +ATOM 23 CA LYS A 23 243.334 255.288 244.037 1.00 0.00 C +ATOM 24 CA PRO A 24 245.327 256.484 247.056 1.00 0.00 C +ATOM 25 CA PRO A 25 247.082 256.931 250.408 1.00 0.00 C +ATOM 26 CA VAL A 26 246.874 258.080 254.035 1.00 0.00 C +ATOM 27 CA LYS A 27 249.221 257.652 257.005 1.00 0.00 C +ATOM 28 CA VAL A 28 252.876 258.361 256.196 1.00 0.00 C +ATOM 29 CA ASN A 29 253.881 261.139 258.602 1.00 0.00 C +ATOM 30 CA GLU A 30 251.009 261.965 260.964 1.00 0.00 C +ATOM 31 CA VAL A 31 248.991 259.433 262.973 1.00 0.00 C +ATOM 32 CA GLU A 32 251.287 256.419 263.376 1.00 0.00 C +ATOM 33 CA ARG A 33 252.524 253.144 261.873 1.00 0.00 C +ATOM 34 CA LYS A 34 251.632 249.548 262.763 1.00 0.00 C +ATOM 35 CA GLN A 35 248.488 249.540 264.915 1.00 0.00 C +ATOM 36 CA LYS A 36 249.420 248.759 268.525 1.00 0.00 C +ATOM 37 CA LYS A 37 251.924 246.683 270.510 1.00 0.00 C +ATOM 38 CA GLN A 38 255.137 244.854 269.589 1.00 0.00 C +ATOM 39 CA ASP A 39 258.283 242.804 268.945 1.00 0.00 C +TER 40 ASP A 39 +END diff --git a/Bacteria/Q05845/Q05845.dcd b/Bacteria/Q05845/Q05845.dcd new file mode 100644 index 0000000000000000000000000000000000000000..361f21f4376e7ef7d0747718fbdc5e8245744417 --- /dev/null +++ b/Bacteria/Q05845/Q05845.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e829bcce237965e0bdffe939693086be2062d840a57f9c2c89435b1ba1675534 +size 4400276 diff --git a/Bacteria/Q05845/top.pdb b/Bacteria/Q05845/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f8bab12ff83b886d08627090bbf87b3f60715f3f --- /dev/null +++ b/Bacteria/Q05845/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 1 250.795 228.963 244.419 1.00 0.00 C +ATOM 2 CA THR A 2 251.222 230.850 247.701 1.00 0.00 C +ATOM 3 CA ARG A 3 252.293 231.017 251.353 1.00 0.00 C +ATOM 4 CA ARG A 4 250.993 233.109 254.261 1.00 0.00 C +ATOM 5 CA ALA A 5 249.644 236.651 254.650 1.00 0.00 C +ATOM 6 CA SER A 6 248.719 240.185 253.566 1.00 0.00 C +ATOM 7 CA THR A 7 250.186 243.189 251.739 1.00 0.00 C +ATOM 8 CA ASN A 8 253.490 244.332 253.253 1.00 0.00 C +ATOM 9 CA VAL A 9 256.924 243.261 254.508 1.00 0.00 C +ATOM 10 CA GLN A 10 260.460 243.231 253.088 1.00 0.00 C +ATOM 11 CA THR A 11 263.280 245.441 251.795 1.00 0.00 C +ATOM 12 CA PRO A 12 262.434 249.152 251.968 1.00 0.00 C +ATOM 13 CA ILE A 13 258.671 249.673 252.258 1.00 0.00 C +ATOM 14 CA ALA A 14 257.602 249.721 255.915 1.00 0.00 C +ATOM 15 CA GLY A 15 256.827 252.216 258.688 1.00 0.00 C +ATOM 16 CA ARG A 16 256.920 255.639 257.017 1.00 0.00 C +ATOM 17 CA ALA A 17 254.658 257.850 254.894 1.00 0.00 C +ATOM 18 CA PRO A 18 253.598 257.565 251.245 1.00 0.00 C +ATOM 19 CA MET A 19 253.618 261.021 249.641 1.00 0.00 C +ATOM 20 CA ASN A 20 253.257 264.753 248.964 1.00 0.00 C +ATOM 21 CA GLN A 21 249.763 266.103 248.265 1.00 0.00 C +ATOM 22 CA PHE A 22 246.076 265.379 247.638 1.00 0.00 C +ATOM 23 CA GLY A 23 244.102 262.125 247.828 1.00 0.00 C +ATOM 24 CA HIS A 24 241.514 260.062 249.715 1.00 0.00 C +ATOM 25 CA ALA A 25 239.504 258.057 247.174 1.00 0.00 C +ATOM 26 CA THR A 26 240.257 258.880 243.531 1.00 0.00 C +ATOM 27 CA ALA A 27 237.440 257.505 241.366 1.00 0.00 C +ATOM 28 CA PHE A 28 237.636 253.705 241.161 1.00 0.00 C +ATOM 29 CA PRO A 29 235.579 250.660 240.157 1.00 0.00 C +ATOM 30 CA ASP A 30 232.537 249.704 242.242 1.00 0.00 C +TER 31 ASP A 30 +END diff --git a/Bacteria/Q05HU1/Q05HU1.dcd b/Bacteria/Q05HU1/Q05HU1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..6badcfb37ecd47a1f6f5222f64df78a04678b330 --- /dev/null +++ b/Bacteria/Q05HU1/Q05HU1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2eeb3c4122106322d234f55d15b8a5a011652bf648de7dbb610afb8b2bb29f5b +size 7520276 diff --git a/Bacteria/Q05HU1/top.pdb b/Bacteria/Q05HU1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d5a573496210d6228390b7bac20f1bd741b02502 --- /dev/null +++ b/Bacteria/Q05HU1/top.pdb @@ -0,0 +1,60 @@ +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 1 218.487 238.909 266.770 1.00 0.00 C +ATOM 2 CA LEU A 2 220.916 236.000 267.169 1.00 0.00 C +ATOM 3 CA LEU A 3 223.451 236.609 269.947 1.00 0.00 C +ATOM 4 CA LYS A 4 226.540 237.876 268.110 1.00 0.00 C +ATOM 5 CA LEU A 5 228.444 234.813 266.881 1.00 0.00 C +ATOM 6 CA GLY A 6 227.137 233.596 263.515 1.00 0.00 C +ATOM 7 CA GLY A 7 226.162 235.842 260.597 1.00 0.00 C +ATOM 8 CA THR A 8 222.387 235.734 260.091 1.00 0.00 C +ATOM 9 CA SER A 9 220.346 238.944 260.312 1.00 0.00 C +ATOM 10 CA TRP A 10 221.197 242.162 262.165 1.00 0.00 C +ATOM 11 CA ALA A 11 224.595 243.528 261.115 1.00 0.00 C +ATOM 12 CA ALA A 12 227.465 244.417 258.772 1.00 0.00 C +ATOM 13 CA THR A 13 228.904 242.545 255.782 1.00 0.00 C +ATOM 14 CA PRO A 14 229.128 238.756 255.451 1.00 0.00 C +ATOM 15 CA PRO A 15 227.651 236.796 252.537 1.00 0.00 C +ATOM 16 CA ALA A 16 227.630 236.909 248.729 1.00 0.00 C +ATOM 17 CA ALA A 17 225.707 239.974 247.536 1.00 0.00 C +ATOM 18 CA THR A 18 227.489 242.734 245.606 1.00 0.00 C +ATOM 19 CA GLY A 19 231.101 242.699 246.820 1.00 0.00 C +ATOM 20 CA SER A 20 234.846 242.161 247.264 1.00 0.00 C +ATOM 21 CA SER A 21 237.415 243.830 249.530 1.00 0.00 C +ATOM 22 CA CYS A 22 241.188 244.195 249.911 1.00 0.00 C +ATOM 23 CA CYS A 23 243.320 244.305 246.755 1.00 0.00 C +ATOM 24 CA SER A 24 241.818 241.960 244.154 1.00 0.00 C +ATOM 25 CA SER A 25 242.943 240.106 241.022 1.00 0.00 C +ATOM 26 CA ARG A 26 242.762 236.404 241.905 1.00 0.00 C +ATOM 27 CA GLU A 27 245.855 235.047 243.668 1.00 0.00 C +ATOM 28 CA LEU A 28 249.134 233.137 243.331 1.00 0.00 C +ATOM 29 CA ASP A 29 252.121 233.876 241.085 1.00 0.00 C +ATOM 30 CA SER A 30 254.994 236.366 240.836 1.00 0.00 C +ATOM 31 CA ARG A 31 253.922 239.959 240.156 1.00 0.00 C +ATOM 32 CA ALA A 32 253.880 243.696 239.418 1.00 0.00 C +ATOM 33 CA ARG A 33 255.263 247.246 239.347 1.00 0.00 C +ATOM 34 CA VAL A 34 254.982 250.867 240.497 1.00 0.00 C +ATOM 35 CA ALA A 35 257.467 253.312 238.960 1.00 0.00 C +ATOM 36 CA LYS A 36 261.143 252.450 239.473 1.00 0.00 C +ATOM 37 CA ALA A 37 264.136 254.498 238.305 1.00 0.00 C +ATOM 38 CA SER A 38 267.017 253.787 240.694 1.00 0.00 C +ATOM 39 CA ALA A 39 267.339 255.865 243.872 1.00 0.00 C +ATOM 40 CA PRO A 40 264.222 257.703 245.064 1.00 0.00 C +ATOM 41 CA ARG A 41 262.302 259.749 247.641 1.00 0.00 C +ATOM 42 CA SER A 42 262.217 262.509 250.266 1.00 0.00 C +ATOM 43 CA SER A 43 264.300 265.271 251.863 1.00 0.00 C +ATOM 44 CA PRO A 44 267.149 267.674 252.653 1.00 0.00 C +ATOM 45 CA THR A 45 268.620 269.062 249.424 1.00 0.00 C +ATOM 46 CA LEU A 46 269.029 272.583 248.027 1.00 0.00 C +ATOM 47 CA LEU A 47 271.814 274.520 249.761 1.00 0.00 C +ATOM 48 CA ASN A 48 275.049 276.531 249.820 1.00 0.00 C +ATOM 49 CA GLY A 49 277.843 274.930 251.857 1.00 0.00 C +ATOM 50 CA THR A 50 281.397 274.279 250.649 1.00 0.00 C +ATOM 51 CA GLY A 51 284.420 272.081 249.909 1.00 0.00 C +ATOM 52 CA SER A 52 283.372 269.652 247.167 1.00 0.00 C +ATOM 53 CA SER A 53 286.384 268.949 244.942 1.00 0.00 C +ATOM 54 CA VAL A 54 290.120 269.566 244.515 1.00 0.00 C +ATOM 55 CA LEU A 55 291.704 271.023 247.659 1.00 0.00 C +ATOM 56 CA THR A 56 293.776 272.008 250.701 1.00 0.00 C +TER 57 THR A 56 +END diff --git a/Bacteria/Q05HX0/Q05HX0.dcd b/Bacteria/Q05HX0/Q05HX0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..ad88c6096f0cfda99b4bb78dae2016a83356bc1d --- /dev/null +++ b/Bacteria/Q05HX0/Q05HX0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6fbe012cbf4b1c92313b5eeecb1cd378c5b8ec9f5dc40b0a962859b621025232 +size 6200276 diff --git a/Bacteria/Q05HX0/top.pdb b/Bacteria/Q05HX0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9f61e9846797fba6054090d12d0f1c114a4deab8 --- /dev/null +++ b/Bacteria/Q05HX0/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 1 253.202 249.576 266.322 1.00 0.00 C +ATOM 2 CA ARG A 2 254.116 252.661 264.282 1.00 0.00 C +ATOM 3 CA THR A 3 255.970 251.941 261.032 1.00 0.00 C +ATOM 4 CA ALA A 4 258.179 251.663 257.940 1.00 0.00 C +ATOM 5 CA SER A 5 258.563 249.062 255.183 1.00 0.00 C +ATOM 6 CA ALA A 6 255.371 247.663 253.644 1.00 0.00 C +ATOM 7 CA GLY A 7 253.063 244.987 255.069 1.00 0.00 C +ATOM 8 CA MET A 8 250.869 243.270 257.667 1.00 0.00 C +ATOM 9 CA VAL A 9 248.390 242.294 260.391 1.00 0.00 C +ATOM 10 CA LYS A 10 244.692 242.239 259.475 1.00 0.00 C +ATOM 11 CA ALA A 11 241.662 244.204 258.262 1.00 0.00 C +ATOM 12 CA PRO A 12 238.012 244.941 259.068 1.00 0.00 C +ATOM 13 CA THR A 13 234.460 243.809 259.854 1.00 0.00 C +ATOM 14 CA MET A 14 231.029 245.328 260.517 1.00 0.00 C +ATOM 15 CA PRO A 15 229.369 248.448 259.093 1.00 0.00 C +ATOM 16 CA SER A 16 227.705 250.630 256.451 1.00 0.00 C +ATOM 17 CA ALA A 17 230.580 252.054 254.396 1.00 0.00 C +ATOM 18 CA ALA A 18 233.945 251.368 252.747 1.00 0.00 C +ATOM 19 CA ASN A 19 235.460 251.135 249.259 1.00 0.00 C +ATOM 20 CA SER A 20 238.239 250.019 246.904 1.00 0.00 C +ATOM 21 CA ALA A 21 241.519 248.086 246.738 1.00 0.00 C +ATOM 22 CA THR A 22 243.632 245.988 244.361 1.00 0.00 C +ATOM 23 CA MET A 23 245.027 242.917 242.591 1.00 0.00 C +ATOM 24 CA VAL A 24 247.047 241.718 239.591 1.00 0.00 C +ATOM 25 CA PRO A 25 245.555 241.973 236.094 1.00 0.00 C +ATOM 26 CA PRO A 26 244.485 240.726 232.657 1.00 0.00 C +ATOM 27 CA ASN A 27 246.712 238.537 230.475 1.00 0.00 C +ATOM 28 CA ALA A 28 250.098 238.059 232.155 1.00 0.00 C +ATOM 29 CA GLY A 29 251.968 241.020 233.654 1.00 0.00 C +ATOM 30 CA GLU A 30 254.362 243.920 234.270 1.00 0.00 C +ATOM 31 CA ALA A 31 254.759 245.388 237.764 1.00 0.00 C +ATOM 32 CA PRO A 32 254.578 247.447 240.965 1.00 0.00 C +ATOM 33 CA ALA A 33 257.837 249.407 241.196 1.00 0.00 C +ATOM 34 CA SER A 34 259.542 252.309 239.412 1.00 0.00 C +ATOM 35 CA ARG A 35 263.294 252.668 238.852 1.00 0.00 C +ATOM 36 CA SER A 36 264.600 255.594 240.914 1.00 0.00 C +ATOM 37 CA SER A 37 264.913 256.099 244.677 1.00 0.00 C +ATOM 38 CA VAL A 38 263.394 257.842 247.705 1.00 0.00 C +ATOM 39 CA GLY A 39 264.777 260.880 249.544 1.00 0.00 C +ATOM 40 CA ASN A 40 264.846 263.613 252.197 1.00 0.00 C +ATOM 41 CA GLN A 41 262.246 262.500 254.750 1.00 0.00 C +ATOM 42 CA VAL A 42 262.026 263.654 258.374 1.00 0.00 C +ATOM 43 CA ASN A 43 259.110 265.822 259.520 1.00 0.00 C +ATOM 44 CA ILE A 44 255.684 267.215 260.435 1.00 0.00 C +ATOM 45 CA GLU A 45 255.111 269.329 263.553 1.00 0.00 C +TER 46 GLU A 45 +END diff --git a/Bacteria/Q05HZ3/Q05HZ3.dcd b/Bacteria/Q05HZ3/Q05HZ3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e317559716b96df4860571956a87db2972c4759b --- /dev/null +++ b/Bacteria/Q05HZ3/Q05HZ3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:94cf4c5a2b317f2659c3cd8e7fc0cdba802141faf8725de8a3dd3e0d984edfb6 +size 37920276 diff --git a/Bacteria/Q05HZ3/top.pdb b/Bacteria/Q05HZ3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..40645dcfcfc66b4f8b8bdeb45416a614fd747bec --- /dev/null +++ b/Bacteria/Q05HZ3/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 MET A 1 224.215 273.109 223.766 1.00 0.00 C +ATOM 2 CA PRO A 2 220.897 273.489 225.599 1.00 0.00 C +ATOM 3 CA GLY A 3 218.040 275.757 226.698 1.00 0.00 C +ATOM 4 CA PRO A 4 219.321 278.191 229.335 1.00 0.00 C +ATOM 5 CA TRP A 5 219.839 278.059 233.107 1.00 0.00 C +ATOM 6 CA PRO A 6 220.564 276.469 236.493 1.00 0.00 C +ATOM 7 CA ASP A 7 221.250 272.730 236.750 1.00 0.00 C +ATOM 8 CA PRO A 8 219.410 269.987 238.649 1.00 0.00 C +ATOM 9 CA GLY A 9 221.595 268.576 241.433 1.00 0.00 C +ATOM 10 CA PRO A 10 220.087 265.207 242.375 1.00 0.00 C +ATOM 11 CA GLY A 11 221.248 264.322 245.894 1.00 0.00 C +ATOM 12 CA GLY A 12 224.807 264.440 247.250 1.00 0.00 C +ATOM 13 CA GLY A 13 227.303 264.889 250.093 1.00 0.00 C +ATOM 14 CA HIS A 14 230.225 266.510 251.923 1.00 0.00 C +ATOM 15 CA ARG A 15 230.398 265.988 255.693 1.00 0.00 C +ATOM 16 CA GLN A 16 232.973 265.692 258.485 1.00 0.00 C +ATOM 17 CA PRO A 17 236.568 264.616 259.148 1.00 0.00 C +ATOM 18 CA ARG A 18 239.375 262.075 259.569 1.00 0.00 C +ATOM 19 CA TRP A 19 240.321 258.486 260.429 1.00 0.00 C +ATOM 20 CA ARG A 20 241.009 254.741 260.299 1.00 0.00 C +ATOM 21 CA GLN A 21 243.885 253.990 257.915 1.00 0.00 C +ATOM 22 CA ALA A 22 246.062 252.511 255.160 1.00 0.00 C +ATOM 23 CA GLY A 23 243.885 252.121 252.058 1.00 0.00 C +ATOM 24 CA ALA A 24 240.256 250.989 251.800 1.00 0.00 C +ATOM 25 CA GLY A 25 240.262 247.398 250.527 1.00 0.00 C +ATOM 26 CA ASP A 26 239.586 245.259 253.607 1.00 0.00 C +ATOM 27 CA GLY A 27 240.724 241.636 253.919 1.00 0.00 C +ATOM 28 CA ALA A 28 239.095 238.231 253.403 1.00 0.00 C +ATOM 29 CA ALA A 29 237.015 235.961 251.159 1.00 0.00 C +ATOM 30 CA ALA A 30 233.535 234.567 250.477 1.00 0.00 C +ATOM 31 CA VAL A 31 229.742 234.288 250.267 1.00 0.00 C +ATOM 32 CA ALA A 32 228.433 233.049 246.910 1.00 0.00 C +ATOM 33 CA GLY A 33 224.840 233.315 245.671 1.00 0.00 C +ATOM 34 CA ALA A 34 224.418 235.069 242.315 1.00 0.00 C +ATOM 35 CA VAL A 35 220.729 235.918 241.889 1.00 0.00 C +ATOM 36 CA PRO A 36 218.426 233.101 243.018 1.00 0.00 C +ATOM 37 CA GLY A 37 215.961 230.349 242.084 1.00 0.00 C +ATOM 38 CA PRO A 38 217.726 227.045 241.389 1.00 0.00 C +ATOM 39 CA TRP A 39 221.004 227.220 239.454 1.00 0.00 C +ATOM 40 CA PRO A 40 224.442 226.799 241.041 1.00 0.00 C +ATOM 41 CA ASP A 41 226.579 223.990 242.476 1.00 0.00 C +ATOM 42 CA PRO A 42 229.640 222.642 240.653 1.00 0.00 C +ATOM 43 CA GLY A 43 229.131 220.614 237.468 1.00 0.00 C +ATOM 44 CA PRO A 44 231.754 218.942 235.268 1.00 0.00 C +ATOM 45 CA GLY A 45 234.839 220.810 234.038 1.00 0.00 C +ATOM 46 CA GLY A 46 236.044 224.275 235.063 1.00 0.00 C +ATOM 47 CA GLY A 47 233.555 227.094 234.449 1.00 0.00 C +ATOM 48 CA HIS A 48 233.721 230.892 234.207 1.00 0.00 C +ATOM 49 CA ARG A 49 235.692 233.362 236.336 1.00 0.00 C +ATOM 50 CA GLN A 50 238.470 235.959 236.105 1.00 0.00 C +ATOM 51 CA GLN A 51 240.249 238.527 233.923 1.00 0.00 C +ATOM 52 CA TRP A 52 239.022 240.141 230.697 1.00 0.00 C +ATOM 53 CA ARG A 53 235.749 241.965 231.387 1.00 0.00 C +ATOM 54 CA ARG A 54 233.970 244.360 233.756 1.00 0.00 C +ATOM 55 CA GLN A 55 233.722 245.933 237.218 1.00 0.00 C +ATOM 56 CA ALA A 56 236.036 248.951 237.452 1.00 0.00 C +ATOM 57 CA GLY A 57 237.584 251.514 239.808 1.00 0.00 C +ATOM 58 CA ALA A 58 237.051 254.959 238.271 1.00 0.00 C +ATOM 59 CA GLY A 59 235.608 258.481 238.446 1.00 0.00 C +ATOM 60 CA ASP A 60 233.328 261.384 239.389 1.00 0.00 C +ATOM 61 CA GLY A 61 231.569 264.563 238.240 1.00 0.00 C +ATOM 62 CA ALA A 62 230.139 266.407 235.228 1.00 0.00 C +ATOM 63 CA ALA A 63 227.780 265.409 232.408 1.00 0.00 C +ATOM 64 CA ALA A 64 229.862 263.522 229.835 1.00 0.00 C +ATOM 65 CA VAL A 65 233.062 261.815 231.004 1.00 0.00 C +ATOM 66 CA ALA A 66 236.523 262.518 232.433 1.00 0.00 C +ATOM 67 CA GLY A 67 239.846 264.105 231.454 1.00 0.00 C +ATOM 68 CA ALA A 68 242.162 267.026 230.666 1.00 0.00 C +ATOM 69 CA VAL A 69 244.247 268.719 233.368 1.00 0.00 C +ATOM 70 CA PRO A 70 245.149 272.364 232.723 1.00 0.00 C +ATOM 71 CA GLY A 71 248.267 273.222 234.738 1.00 0.00 C +ATOM 72 CA PRO A 72 248.103 275.749 237.585 1.00 0.00 C +ATOM 73 CA TRP A 73 248.872 279.417 238.270 1.00 0.00 C +ATOM 74 CA PRO A 74 247.591 280.702 241.620 1.00 0.00 C +ATOM 75 CA GLU A 75 243.990 281.716 240.897 1.00 0.00 C +ATOM 76 CA SER A 76 241.869 284.453 239.309 1.00 0.00 C +ATOM 77 CA GLY A 77 240.064 287.164 241.285 1.00 0.00 C +ATOM 78 CA PRO A 78 237.487 288.834 243.540 1.00 0.00 C +ATOM 79 CA GLY A 79 233.977 287.453 243.000 1.00 0.00 C +ATOM 80 CA GLY A 80 230.352 288.297 242.182 1.00 0.00 C +ATOM 81 CA GLY A 81 227.388 289.697 240.242 1.00 0.00 C +ATOM 82 CA HIS A 82 227.143 288.044 236.818 1.00 0.00 C +ATOM 83 CA ARG A 83 226.266 287.631 233.133 1.00 0.00 C +ATOM 84 CA GLN A 84 228.804 285.324 231.475 1.00 0.00 C +ATOM 85 CA PRO A 85 227.415 283.259 228.590 1.00 0.00 C +ATOM 86 CA ARG A 86 225.412 280.207 229.682 1.00 0.00 C +ATOM 87 CA TRP A 87 226.015 277.678 232.467 1.00 0.00 C +ATOM 88 CA ARG A 88 227.656 279.086 235.604 1.00 0.00 C +ATOM 89 CA GLN A 89 231.342 278.651 236.464 1.00 0.00 C +ATOM 90 CA ALA A 90 233.101 275.682 234.851 1.00 0.00 C +ATOM 91 CA GLY A 91 235.540 273.478 236.777 1.00 0.00 C +ATOM 92 CA ALA A 92 237.344 270.701 238.661 1.00 0.00 C +ATOM 93 CA GLY A 93 236.529 271.372 242.322 1.00 0.00 C +ATOM 94 CA ASP A 94 233.815 269.255 243.956 1.00 0.00 C +ATOM 95 CA GLY A 95 234.094 268.686 247.713 1.00 0.00 C +ATOM 96 CA ALA A 96 236.225 267.258 250.530 1.00 0.00 C +ATOM 97 CA ALA A 97 238.569 264.468 249.416 1.00 0.00 C +ATOM 98 CA ALA A 98 240.460 261.272 248.564 1.00 0.00 C +ATOM 99 CA VAL A 99 239.634 260.202 245.002 1.00 0.00 C +ATOM 100 CA ALA A 100 239.523 263.298 242.784 1.00 0.00 C +ATOM 101 CA GLY A 101 240.037 263.984 239.071 1.00 0.00 C +ATOM 102 CA ALA A 102 243.583 265.264 238.520 1.00 0.00 C +ATOM 103 CA VAL A 103 246.699 264.076 240.362 1.00 0.00 C +ATOM 104 CA PRO A 104 248.501 262.384 243.262 1.00 0.00 C +ATOM 105 CA GLY A 105 247.366 261.746 246.843 1.00 0.00 C +ATOM 106 CA PRO A 106 249.359 260.776 249.942 1.00 0.00 C +ATOM 107 CA TRP A 107 252.783 259.207 250.518 1.00 0.00 C +ATOM 108 CA PRO A 108 255.559 260.616 248.322 1.00 0.00 C +ATOM 109 CA ASP A 109 258.245 262.394 246.286 1.00 0.00 C +ATOM 110 CA PRO A 110 261.833 262.867 247.478 1.00 0.00 C +ATOM 111 CA GLY A 111 264.288 260.507 249.186 1.00 0.00 C +ATOM 112 CA PRO A 112 267.938 261.562 249.466 1.00 0.00 C +ATOM 113 CA GLY A 113 269.729 264.788 250.414 1.00 0.00 C +ATOM 114 CA GLY A 114 272.776 264.660 252.697 1.00 0.00 C +ATOM 115 CA GLY A 115 274.155 266.047 255.967 1.00 0.00 C +ATOM 116 CA HIS A 116 273.360 263.944 259.042 1.00 0.00 C +ATOM 117 CA ARG A 117 276.316 262.887 261.200 1.00 0.00 C +ATOM 118 CA GLN A 118 279.840 261.439 261.289 1.00 0.00 C +ATOM 119 CA PRO A 119 281.531 258.517 259.523 1.00 0.00 C +ATOM 120 CA ARG A 120 282.047 255.651 261.980 1.00 0.00 C +ATOM 121 CA TRP A 121 281.206 251.949 261.659 1.00 0.00 C +ATOM 122 CA ARG A 122 279.246 249.072 263.209 1.00 0.00 C +ATOM 123 CA GLN A 123 275.876 247.295 263.232 1.00 0.00 C +ATOM 124 CA ALA A 124 272.720 245.169 263.037 1.00 0.00 C +ATOM 125 CA GLY A 125 270.772 243.696 265.961 1.00 0.00 C +ATOM 126 CA ALA A 126 268.848 246.124 268.178 1.00 0.00 C +ATOM 127 CA GLY A 127 265.785 247.159 266.161 1.00 0.00 C +ATOM 128 CA ASP A 128 263.626 244.273 264.929 1.00 0.00 C +ATOM 129 CA GLY A 129 259.990 243.895 263.855 1.00 0.00 C +ATOM 130 CA ALA A 130 257.958 241.177 265.587 1.00 0.00 C +ATOM 131 CA THR A 131 256.490 238.460 263.356 1.00 0.00 C +ATOM 132 CA ALA A 132 255.220 234.936 262.656 1.00 0.00 C +ATOM 133 CA VAL A 133 257.277 232.041 261.277 1.00 0.00 C +ATOM 134 CA ALA A 134 259.033 229.857 263.858 1.00 0.00 C +ATOM 135 CA GLY A 135 262.571 231.253 264.096 1.00 0.00 C +ATOM 136 CA ALA A 136 265.533 229.408 262.567 1.00 0.00 C +ATOM 137 CA VAL A 137 268.531 231.600 261.715 1.00 0.00 C +ATOM 138 CA PRO A 138 267.915 232.814 258.157 1.00 0.00 C +ATOM 139 CA GLY A 139 266.100 236.017 257.175 1.00 0.00 C +ATOM 140 CA PRO A 140 265.603 238.571 259.957 1.00 0.00 C +ATOM 141 CA TRP A 141 262.544 237.347 261.871 1.00 0.00 C +ATOM 142 CA PRO A 142 263.065 237.563 265.639 1.00 0.00 C +ATOM 143 CA ASP A 143 266.492 236.192 266.582 1.00 0.00 C +ATOM 144 CA PRO A 144 270.073 235.827 267.831 1.00 0.00 C +ATOM 145 CA GLY A 145 271.336 232.239 267.619 1.00 0.00 C +ATOM 146 CA PRO A 146 274.646 230.401 268.047 1.00 0.00 C +ATOM 147 CA GLY A 147 276.033 229.477 264.621 1.00 0.00 C +ATOM 148 CA ARG A 148 275.405 226.267 262.667 1.00 0.00 C +ATOM 149 CA GLY A 149 273.198 224.011 264.800 1.00 0.00 C +ATOM 150 CA HIS A 150 272.871 220.259 264.228 1.00 0.00 C +ATOM 151 CA ARG A 151 272.210 216.591 263.436 1.00 0.00 C +ATOM 152 CA GLN A 152 273.027 212.984 264.354 1.00 0.00 C +ATOM 153 CA PRO A 153 275.007 210.800 266.768 1.00 0.00 C +ATOM 154 CA ARG A 154 277.284 211.694 269.689 1.00 0.00 C +ATOM 155 CA TRP A 155 277.444 214.099 272.639 1.00 0.00 C +ATOM 156 CA ARG A 156 278.590 217.693 272.101 1.00 0.00 C +ATOM 157 CA GLN A 157 276.315 220.551 273.183 1.00 0.00 C +ATOM 158 CA ALA A 158 273.373 221.953 271.208 1.00 0.00 C +ATOM 159 CA GLY A 159 270.527 222.031 273.739 1.00 0.00 C +ATOM 160 CA ALA A 160 267.795 219.379 273.591 1.00 0.00 C +ATOM 161 CA GLY A 161 264.711 220.701 275.396 1.00 0.00 C +ATOM 162 CA ASP A 162 260.923 221.053 275.187 1.00 0.00 C +ATOM 163 CA GLY A 163 258.636 222.932 277.586 1.00 0.00 C +ATOM 164 CA ALA A 164 256.831 226.009 276.249 1.00 0.00 C +ATOM 165 CA ALA A 165 258.207 227.925 273.257 1.00 0.00 C +ATOM 166 CA ALA A 166 257.012 227.535 269.660 1.00 0.00 C +ATOM 167 CA VAL A 167 257.258 224.413 267.492 1.00 0.00 C +ATOM 168 CA ALA A 168 258.088 220.741 266.899 1.00 0.00 C +ATOM 169 CA GLY A 169 261.454 219.764 268.393 1.00 0.00 C +ATOM 170 CA ALA A 170 264.108 218.456 265.993 1.00 0.00 C +ATOM 171 CA VAL A 171 264.569 217.756 262.277 1.00 0.00 C +ATOM 172 CA PRO A 172 267.199 220.157 260.922 1.00 0.00 C +ATOM 173 CA GLY A 173 266.816 222.197 257.727 1.00 0.00 C +ATOM 174 CA PRO A 174 269.427 224.839 256.879 1.00 0.00 C +ATOM 175 CA TRP A 175 272.279 225.064 254.362 1.00 0.00 C +ATOM 176 CA PRO A 176 275.779 225.363 255.837 1.00 0.00 C +ATOM 177 CA ASP A 177 277.830 228.414 254.838 1.00 0.00 C +ATOM 178 CA PRO A 178 275.482 231.180 253.675 1.00 0.00 C +ATOM 179 CA GLY A 179 274.946 231.024 249.906 1.00 0.00 C +ATOM 180 CA PRO A 180 275.217 232.658 246.475 1.00 0.00 C +ATOM 181 CA GLY A 181 277.949 235.180 245.644 1.00 0.00 C +ATOM 182 CA ARG A 182 277.177 238.682 246.929 1.00 0.00 C +ATOM 183 CA GLY A 183 278.065 241.211 249.637 1.00 0.00 C +ATOM 184 CA HIS A 184 279.305 244.770 249.078 1.00 0.00 C +ATOM 185 CA ARG A 185 276.879 247.699 248.844 1.00 0.00 C +ATOM 186 CA GLN A 186 274.446 249.429 246.477 1.00 0.00 C +ATOM 187 CA GLN A 187 270.930 248.913 247.851 1.00 0.00 C +ATOM 188 CA TRP A 188 269.447 245.571 246.780 1.00 0.00 C +ATOM 189 CA ARG A 189 265.918 246.334 245.564 1.00 0.00 C +ATOM 190 CA ARG A 190 263.178 246.731 248.182 1.00 0.00 C +ATOM 191 CA GLN A 191 263.218 246.861 251.990 1.00 0.00 C +ATOM 192 CA ALA A 192 266.309 247.184 254.193 1.00 0.00 C +ATOM 193 CA GLY A 193 267.933 250.599 254.658 1.00 0.00 C +ATOM 194 CA ALA A 194 265.504 253.368 255.633 1.00 0.00 C +ATOM 195 CA GLY A 195 265.511 257.149 255.165 1.00 0.00 C +ATOM 196 CA GLU A 196 262.722 259.720 255.517 1.00 0.00 C +ATOM 197 CA HIS A 197 263.561 263.325 254.615 1.00 0.00 C +ATOM 198 CA CYS A 198 261.151 265.875 253.129 1.00 0.00 C +ATOM 199 CA CYS A 199 258.323 268.003 251.718 1.00 0.00 C +ATOM 200 CA PRO A 200 258.962 271.759 251.746 1.00 0.00 C +ATOM 201 CA VAL A 201 257.749 275.182 250.593 1.00 0.00 C +ATOM 202 CA ILE A 202 254.695 276.457 252.480 1.00 0.00 C +ATOM 203 CA SER A 203 252.531 279.368 251.311 1.00 0.00 C +ATOM 204 CA PRO A 204 253.882 281.363 248.360 1.00 0.00 C +TER 205 PRO A 204 +END diff --git a/Bacteria/Q05I24/Q05I24.dcd b/Bacteria/Q05I24/Q05I24.dcd new file mode 100644 index 0000000000000000000000000000000000000000..0f35356da793bd185bd22ff70db4c5d389b9419a --- /dev/null +++ b/Bacteria/Q05I24/Q05I24.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:adb92481980ae9bc57647ae7f017ff77965238c803f70c886964c347d54be4b0 +size 6800276 diff --git a/Bacteria/Q05I24/top.pdb b/Bacteria/Q05I24/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e52fe3014559cc1c0ea088079adfe50f90d1ccf3 --- /dev/null +++ b/Bacteria/Q05I24/top.pdb @@ -0,0 +1,54 @@ +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 1 265.382 248.192 255.121 1.00 0.00 C +ATOM 2 CA ARG A 2 268.534 250.328 254.998 1.00 0.00 C +ATOM 3 CA LEU A 3 270.846 253.354 255.135 1.00 0.00 C +ATOM 4 CA LEU A 4 274.444 252.930 256.312 1.00 0.00 C +ATOM 5 CA ILE A 5 274.272 250.625 259.342 1.00 0.00 C +ATOM 6 CA TRP A 6 271.510 248.676 261.098 1.00 0.00 C +ATOM 7 CA ASN A 7 272.902 246.298 263.731 1.00 0.00 C +ATOM 8 CA GLY A 8 270.114 245.223 266.095 1.00 0.00 C +ATOM 9 CA ALA A 9 269.179 247.113 269.268 1.00 0.00 C +ATOM 10 CA ALA A 10 266.830 245.402 271.732 1.00 0.00 C +ATOM 11 CA GLY A 11 265.952 241.920 273.006 1.00 0.00 C +ATOM 12 CA SER A 12 262.331 240.992 272.268 1.00 0.00 C +ATOM 13 CA LYS A 13 259.876 242.786 269.973 1.00 0.00 C +ATOM 14 CA GLY A 14 257.261 245.343 268.903 1.00 0.00 C +ATOM 15 CA TYR A 15 255.241 248.541 268.447 1.00 0.00 C +ATOM 16 CA LYS A 16 253.478 248.344 265.076 1.00 0.00 C +ATOM 17 CA GLY A 17 255.140 245.673 262.926 1.00 0.00 C +ATOM 18 CA PRO A 18 256.044 243.796 259.736 1.00 0.00 C +ATOM 19 CA ASP A 19 254.518 240.336 260.201 1.00 0.00 C +ATOM 20 CA ALA A 20 250.973 240.149 258.818 1.00 0.00 C +ATOM 21 CA PRO A 21 248.745 241.093 255.875 1.00 0.00 C +ATOM 22 CA VAL A 22 247.327 244.578 255.269 1.00 0.00 C +ATOM 23 CA LYS A 23 243.523 244.667 255.457 1.00 0.00 C +ATOM 24 CA PRO A 24 241.646 245.293 252.201 1.00 0.00 C +ATOM 25 CA ASP A 25 238.810 246.771 250.130 1.00 0.00 C +ATOM 26 CA ASN A 26 237.236 250.194 250.698 1.00 0.00 C +ATOM 27 CA TRP A 27 240.068 252.561 251.644 1.00 0.00 C +ATOM 28 CA PRO A 28 242.145 254.335 248.988 1.00 0.00 C +ATOM 29 CA PRO A 29 244.725 253.623 246.276 1.00 0.00 C +ATOM 30 CA LEU A 30 246.255 253.638 242.787 1.00 0.00 C +ATOM 31 CA PRO A 31 249.768 252.689 241.660 1.00 0.00 C +ATOM 32 CA PRO A 32 249.609 251.622 238.006 1.00 0.00 C +ATOM 33 CA PRO A 33 248.029 251.075 234.582 1.00 0.00 C +ATOM 34 CA PRO A 34 248.053 248.354 231.915 1.00 0.00 C +ATOM 35 CA ILE A 35 245.106 246.215 230.797 1.00 0.00 C +ATOM 36 CA LEU A 36 242.159 244.590 232.584 1.00 0.00 C +ATOM 37 CA PRO A 37 238.611 245.617 231.648 1.00 0.00 C +ATOM 38 CA ASP A 38 236.001 247.521 233.668 1.00 0.00 C +ATOM 39 CA ALA A 39 233.536 250.323 234.434 1.00 0.00 C +ATOM 40 CA LYS A 40 231.278 253.386 234.627 1.00 0.00 C +ATOM 41 CA SER A 41 232.241 256.747 236.140 1.00 0.00 C +ATOM 42 CA GLU A 42 234.304 259.848 235.338 1.00 0.00 C +ATOM 43 CA HIS A 43 233.097 262.689 237.572 1.00 0.00 C +ATOM 44 CA THR A 44 235.615 263.579 240.289 1.00 0.00 C +ATOM 45 CA ASP A 45 238.967 264.282 238.620 1.00 0.00 C +ATOM 46 CA ALA A 46 240.349 261.492 236.424 1.00 0.00 C +ATOM 47 CA GLU A 47 240.830 258.704 233.872 1.00 0.00 C +ATOM 48 CA HIS A 48 240.385 255.510 235.901 1.00 0.00 C +ATOM 49 CA GLN A 49 237.814 255.449 238.713 1.00 0.00 C +ATOM 50 CA PRO A 50 238.940 257.533 241.697 1.00 0.00 C +TER 51 PRO A 50 +END diff --git a/Bacteria/Q05I63/Q05I63.dcd b/Bacteria/Q05I63/Q05I63.dcd new file mode 100644 index 0000000000000000000000000000000000000000..5a9f71eb2c6f1197224b562af0b92c2d97d3349c --- /dev/null +++ b/Bacteria/Q05I63/Q05I63.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:95b8253683d519ca0558a4e3371a76e21e95a778489a0b2365b0380ab920fc5e +size 4760276 diff --git a/Bacteria/Q05I63/top.pdb b/Bacteria/Q05I63/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8ba2df5b84e941eb698c9531521dcb42a7fe3374 --- /dev/null +++ b/Bacteria/Q05I63/top.pdb @@ -0,0 +1,37 @@ +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 1 253.435 262.796 242.590 1.00 0.00 C +ATOM 2 CA GLN A 2 252.745 261.895 238.953 1.00 0.00 C +ATOM 3 CA TRP A 3 250.401 259.664 236.942 1.00 0.00 C +ATOM 4 CA ARG A 4 247.505 257.550 238.234 1.00 0.00 C +ATOM 5 CA ALA A 5 245.240 259.789 240.325 1.00 0.00 C +ATOM 6 CA ASP A 6 244.762 260.847 243.954 1.00 0.00 C +ATOM 7 CA GLY A 7 241.144 261.562 244.911 1.00 0.00 C +ATOM 8 CA VAL A 8 240.292 263.943 247.760 1.00 0.00 C +ATOM 9 CA LYS A 9 243.040 264.191 250.388 1.00 0.00 C +ATOM 10 CA LYS A 10 245.523 262.972 253.008 1.00 0.00 C +ATOM 11 CA LEU A 11 248.569 261.483 251.270 1.00 0.00 C +ATOM 12 CA ARG A 12 250.948 260.885 248.354 1.00 0.00 C +ATOM 13 CA MET A 13 250.213 257.305 247.280 1.00 0.00 C +ATOM 14 CA SER A 14 249.439 253.754 248.425 1.00 0.00 C +ATOM 15 CA ASP A 15 246.782 252.458 246.022 1.00 0.00 C +ATOM 16 CA ARG A 16 244.921 249.201 245.354 1.00 0.00 C +ATOM 17 CA MET A 17 244.524 246.476 247.987 1.00 0.00 C +ATOM 18 CA HIS A 18 247.382 243.986 247.602 1.00 0.00 C +ATOM 19 CA ARG A 19 250.197 245.133 249.900 1.00 0.00 C +ATOM 20 CA ALA A 20 252.882 247.645 250.898 1.00 0.00 C +ATOM 21 CA THR A 21 255.835 246.491 253.012 1.00 0.00 C +ATOM 22 CA SER A 22 256.093 244.729 256.380 1.00 0.00 C +ATOM 23 CA ALA A 23 259.122 242.819 257.681 1.00 0.00 C +ATOM 24 CA SER A 24 258.455 241.174 261.052 1.00 0.00 C +ATOM 25 CA ASN A 25 255.001 240.510 262.516 1.00 0.00 C +ATOM 26 CA ALA A 26 254.615 236.734 262.846 1.00 0.00 C +ATOM 27 CA ASP A 27 251.863 235.402 260.573 1.00 0.00 C +ATOM 28 CA ASP A 28 249.473 235.242 257.611 1.00 0.00 C +ATOM 29 CA ALA A 29 247.829 237.703 255.211 1.00 0.00 C +ATOM 30 CA ASN A 30 247.778 238.098 251.422 1.00 0.00 C +ATOM 31 CA ALA A 31 251.220 238.871 249.982 1.00 0.00 C +ATOM 32 CA ALA A 32 254.974 239.309 249.501 1.00 0.00 C +ATOM 33 CA GLY A 33 257.799 239.381 252.057 1.00 0.00 C +TER 34 GLY A 33 +END diff --git a/Bacteria/Q05I66/Q05I66.dcd b/Bacteria/Q05I66/Q05I66.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f15449f2fdf2056210baa2534681b8e504202caa --- /dev/null +++ b/Bacteria/Q05I66/Q05I66.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b0da3a17195a464f0e45256000b2f1841cbbe22fe430caf60b5b4a9bbf1337e4 +size 5000276 diff --git a/Bacteria/Q05I66/top.pdb b/Bacteria/Q05I66/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d35ab90c921015649213599a05c4097323381694 --- /dev/null +++ b/Bacteria/Q05I66/top.pdb @@ -0,0 +1,39 @@ +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 1 256.145 229.176 236.344 1.00 0.00 C +ATOM 2 CA ARG A 2 258.443 230.451 233.585 1.00 0.00 C +ATOM 3 CA VAL A 3 259.146 233.891 232.104 1.00 0.00 C +ATOM 4 CA ALA A 4 262.014 235.778 233.756 1.00 0.00 C +ATOM 5 CA TRP A 5 264.332 238.797 233.577 1.00 0.00 C +ATOM 6 CA ARG A 6 266.633 238.426 236.591 1.00 0.00 C +ATOM 7 CA GLY A 7 268.766 236.367 238.984 1.00 0.00 C +ATOM 8 CA GLY A 8 267.293 236.958 242.447 1.00 0.00 C +ATOM 9 CA ARG A 9 264.492 239.485 242.983 1.00 0.00 C +ATOM 10 CA ASN A 10 261.093 241.201 242.856 1.00 0.00 C +ATOM 11 CA ALA A 11 257.772 239.783 241.641 1.00 0.00 C +ATOM 12 CA ALA A 12 255.372 242.741 241.711 1.00 0.00 C +ATOM 13 CA GLY A 13 252.697 245.168 242.924 1.00 0.00 C +ATOM 14 CA SER A 14 251.577 248.699 242.033 1.00 0.00 C +ATOM 15 CA THR A 15 253.678 251.569 243.400 1.00 0.00 C +ATOM 16 CA ASN A 16 254.387 254.423 240.978 1.00 0.00 C +ATOM 17 CA LEU A 17 254.365 258.232 240.982 1.00 0.00 C +ATOM 18 CA ARG A 18 253.323 261.587 242.456 1.00 0.00 C +ATOM 19 CA ARG A 19 253.892 263.777 245.522 1.00 0.00 C +ATOM 20 CA SER A 20 251.296 264.942 248.055 1.00 0.00 C +ATOM 21 CA PHE A 21 249.739 264.207 251.454 1.00 0.00 C +ATOM 22 CA GLY A 22 246.456 262.477 252.317 1.00 0.00 C +ATOM 23 CA ALA A 23 245.619 260.935 255.699 1.00 0.00 C +ATOM 24 CA HIS A 24 248.676 259.948 257.748 1.00 0.00 C +ATOM 25 CA ALA A 25 247.761 257.006 259.990 1.00 0.00 C +ATOM 26 CA ARG A 26 246.721 255.915 263.489 1.00 0.00 C +ATOM 27 CA THR A 27 244.158 256.495 266.247 1.00 0.00 C +ATOM 28 CA SER A 28 241.004 258.442 267.133 1.00 0.00 C +ATOM 29 CA THR A 29 237.670 260.139 267.850 1.00 0.00 C +ATOM 30 CA GLY A 30 234.760 258.269 266.253 1.00 0.00 C +ATOM 31 CA LEU A 31 232.819 255.608 264.338 1.00 0.00 C +ATOM 32 CA PRO A 32 231.608 253.030 266.869 1.00 0.00 C +ATOM 33 CA HIS A 33 228.118 251.616 267.447 1.00 0.00 C +ATOM 34 CA LYS A 34 225.937 252.047 270.541 1.00 0.00 C +ATOM 35 CA GLN A 35 222.240 252.413 269.697 1.00 0.00 C +TER 36 GLN A 35 +END diff --git a/Bacteria/Q07612/Q07612.dcd b/Bacteria/Q07612/Q07612.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d6b3d4a4ac332d28eac44cfe112fb74c72f1e89e --- /dev/null +++ b/Bacteria/Q07612/Q07612.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:51fb0d60e05324287c672b52420468e84290874f551f53bbc1bd1d37e59e3fa6 +size 4400276 diff --git a/Bacteria/Q07612/top.pdb b/Bacteria/Q07612/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b9ca62dccfec4cd2f73bcd1a4cad9757fccd3f2d --- /dev/null +++ b/Bacteria/Q07612/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 1 259.676 240.068 238.928 1.00 0.00 C +ATOM 2 CA ALA A 2 261.372 237.712 241.396 1.00 0.00 C +ATOM 3 CA ALA A 3 258.517 236.331 243.506 1.00 0.00 C +ATOM 4 CA ARG A 4 255.623 235.154 241.326 1.00 0.00 C +ATOM 5 CA ARG A 5 254.637 231.555 240.561 1.00 0.00 C +ATOM 6 CA GLN A 6 252.524 229.765 243.178 1.00 0.00 C +ATOM 7 CA ILE A 7 249.956 228.760 245.807 1.00 0.00 C +ATOM 8 CA ALA A 8 246.986 230.864 246.934 1.00 0.00 C +ATOM 9 CA PHE A 9 245.946 234.027 245.083 1.00 0.00 C +ATOM 10 CA TYR A 10 245.278 237.615 246.178 1.00 0.00 C +ATOM 11 CA GLY A 11 246.279 240.277 243.643 1.00 0.00 C +ATOM 12 CA LYS A 12 246.628 244.040 243.160 1.00 0.00 C +ATOM 13 CA GLY A 13 247.506 246.101 246.242 1.00 0.00 C +ATOM 14 CA GLY A 14 250.168 248.735 245.541 1.00 0.00 C +ATOM 15 CA THR A 15 251.561 248.095 242.053 1.00 0.00 C +ATOM 16 CA GLY A 16 255.081 249.488 241.621 1.00 0.00 C +ATOM 17 CA LYS A 17 255.670 253.204 241.022 1.00 0.00 C +ATOM 18 CA PRO A 18 256.210 256.062 243.482 1.00 0.00 C +ATOM 19 CA LYS A 19 255.198 258.969 245.728 1.00 0.00 C +ATOM 20 CA ARG A 20 252.399 259.894 248.141 1.00 0.00 C +ATOM 21 CA LYS A 21 252.872 261.631 251.499 1.00 0.00 C +ATOM 22 CA PRO A 22 249.549 261.106 253.288 1.00 0.00 C +ATOM 23 CA GLU A 23 246.843 261.320 255.960 1.00 0.00 C +ATOM 24 CA PRO A 24 245.373 261.862 259.433 1.00 0.00 C +ATOM 25 CA VAL A 25 242.217 263.603 260.670 1.00 0.00 C +ATOM 26 CA THR A 26 243.424 266.522 262.799 1.00 0.00 C +ATOM 27 CA ALA A 27 244.695 268.496 265.801 1.00 0.00 C +ATOM 28 CA SER A 28 243.443 268.433 269.399 1.00 0.00 C +ATOM 29 CA LYS A 29 243.095 270.877 272.301 1.00 0.00 C +ATOM 30 CA GLU A 30 241.273 269.434 275.321 1.00 0.00 C +TER 31 GLU A 30 +END diff --git a/Bacteria/Q07GC9/Q07GC9.dcd b/Bacteria/Q07GC9/Q07GC9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8d7fa08d137c97ea35ab4c1f86d0765532ab74ab --- /dev/null +++ b/Bacteria/Q07GC9/Q07GC9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d5582ddd97a0551d72eb344fc6fced49941368bc807a1650bc62569b29f1f7fe +size 12200276 diff --git a/Bacteria/Q07GC9/top.pdb b/Bacteria/Q07GC9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..76d45d016275310c546b516eb154c1a50a271bcb --- /dev/null +++ b/Bacteria/Q07GC9/top.pdb @@ -0,0 +1,99 @@ +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 1 264.154 264.815 238.154 1.00 0.00 C +ATOM 2 CA PRO A 2 262.576 262.384 240.627 1.00 0.00 C +ATOM 3 CA GLU A 3 259.064 262.012 242.056 1.00 0.00 C +ATOM 4 CA HIS A 4 257.449 263.748 245.038 1.00 0.00 C +ATOM 5 CA GLY A 5 258.804 264.524 248.513 1.00 0.00 C +ATOM 6 CA PRO A 6 262.172 263.286 249.794 1.00 0.00 C +ATOM 7 CA PRO A 7 265.354 262.548 247.833 1.00 0.00 C +ATOM 8 CA GLY A 8 268.428 264.041 249.518 1.00 0.00 C +ATOM 9 CA GLN A 9 268.041 265.937 252.801 1.00 0.00 C +ATOM 10 CA PRO A 10 269.341 268.151 255.616 1.00 0.00 C +ATOM 11 CA SER A 11 271.492 270.996 254.276 1.00 0.00 C +ATOM 12 CA PHE A 12 271.221 270.847 250.478 1.00 0.00 C +ATOM 13 CA SER A 13 271.473 271.966 246.845 1.00 0.00 C +ATOM 14 CA ARG A 14 272.714 272.695 243.318 1.00 0.00 C +ATOM 15 CA ARG A 15 275.736 271.086 241.646 1.00 0.00 C +ATOM 16 CA PRO A 16 277.716 269.303 244.369 1.00 0.00 C +ATOM 17 CA ALA A 17 278.674 269.632 248.042 1.00 0.00 C +ATOM 18 CA PRO A 18 281.628 267.657 249.416 1.00 0.00 C +ATOM 19 CA GLN A 19 283.443 265.419 251.909 1.00 0.00 C +ATOM 20 CA ASN A 20 284.680 262.845 254.431 1.00 0.00 C +ATOM 21 CA ALA A 21 288.481 262.586 254.482 1.00 0.00 C +ATOM 22 CA GLY A 22 290.119 263.764 251.250 1.00 0.00 C +ATOM 23 CA ALA A 23 288.863 261.638 248.348 1.00 0.00 C +ATOM 24 CA GLY A 24 286.394 258.852 249.160 1.00 0.00 C +ATOM 25 CA GLY A 25 284.857 256.534 246.555 1.00 0.00 C +ATOM 26 CA GLY A 26 282.627 257.828 243.749 1.00 0.00 C +ATOM 27 CA LYS A 27 282.724 255.551 240.697 1.00 0.00 C +ATOM 28 CA THR A 28 280.649 253.875 237.976 1.00 0.00 C +ATOM 29 CA ALA A 29 277.396 255.596 236.988 1.00 0.00 C +ATOM 30 CA ARG A 30 275.264 253.901 234.324 1.00 0.00 C +ATOM 31 CA LEU A 31 271.532 254.500 233.844 1.00 0.00 C +ATOM 32 CA LYS A 32 267.849 253.846 233.120 1.00 0.00 C +ATOM 33 CA GLY A 33 265.142 253.272 235.739 1.00 0.00 C +ATOM 34 CA ARG A 34 263.942 255.414 238.652 1.00 0.00 C +ATOM 35 CA ASP A 35 260.258 254.576 239.144 1.00 0.00 C +ATOM 36 CA ALA A 36 258.862 251.532 240.960 1.00 0.00 C +ATOM 37 CA PRO A 37 256.805 253.019 243.801 1.00 0.00 C +ATOM 38 CA LEU A 38 253.356 254.447 244.564 1.00 0.00 C +ATOM 39 CA ARG A 39 250.244 256.266 245.800 1.00 0.00 C +ATOM 40 CA ARG A 40 246.829 255.894 244.152 1.00 0.00 C +ATOM 41 CA GLY A 41 245.214 252.461 243.803 1.00 0.00 C +ATOM 42 CA LEU A 42 243.171 250.532 246.376 1.00 0.00 C +ATOM 43 CA ALA A 43 240.891 252.956 248.230 1.00 0.00 C +ATOM 44 CA SER A 44 240.368 253.394 251.979 1.00 0.00 C +ATOM 45 CA ASP A 45 242.672 252.973 254.984 1.00 0.00 C +ATOM 46 CA LEU A 46 245.702 251.240 256.511 1.00 0.00 C +ATOM 47 CA PRO A 47 249.258 249.984 255.969 1.00 0.00 C +ATOM 48 CA PRO A 48 249.328 246.366 254.777 1.00 0.00 C +ATOM 49 CA ASN A 49 251.771 244.266 252.742 1.00 0.00 C +ATOM 50 CA PRO A 50 249.729 242.989 249.790 1.00 0.00 C +ATOM 51 CA GLN A 51 250.047 239.687 247.916 1.00 0.00 C +ATOM 52 CA PRO A 52 248.763 239.734 244.329 1.00 0.00 C +ATOM 53 CA HIS A 53 246.598 238.353 241.514 1.00 0.00 C +ATOM 54 CA GLY A 54 242.826 238.892 241.521 1.00 0.00 C +ATOM 55 CA GLY A 55 239.668 239.794 243.452 1.00 0.00 C +ATOM 56 CA ARG A 56 237.663 242.534 245.179 1.00 0.00 C +ATOM 57 CA ASP A 57 237.105 244.076 248.619 1.00 0.00 C +ATOM 58 CA MET A 58 238.804 243.228 251.922 1.00 0.00 C +ATOM 59 CA GLY A 59 241.739 242.571 254.261 1.00 0.00 C +ATOM 60 CA THR A 60 243.953 239.557 254.990 1.00 0.00 C +ATOM 61 CA ASP A 61 245.096 238.583 258.492 1.00 0.00 C +ATOM 62 CA HIS A 62 246.621 238.163 261.958 1.00 0.00 C +ATOM 63 CA TRP A 63 249.311 237.641 264.605 1.00 0.00 C +ATOM 64 CA ARG A 64 247.828 236.906 268.036 1.00 0.00 C +ATOM 65 CA PHE A 65 245.091 235.538 270.307 1.00 0.00 C +ATOM 66 CA ALA A 66 241.742 233.745 270.018 1.00 0.00 C +ATOM 67 CA GLY A 67 238.770 234.775 272.168 1.00 0.00 C +ATOM 68 CA GLY A 68 235.186 233.486 272.066 1.00 0.00 C +ATOM 69 CA LYS A 69 233.746 231.675 269.040 1.00 0.00 C +ATOM 70 CA PRO A 70 235.601 232.492 265.814 1.00 0.00 C +ATOM 71 CA GLY A 71 235.619 235.332 263.274 1.00 0.00 C +ATOM 72 CA ILE A 72 236.711 238.825 262.214 1.00 0.00 C +ATOM 73 CA ALA A 73 234.347 241.187 260.383 1.00 0.00 C +ATOM 74 CA LYS A 74 230.619 240.860 259.669 1.00 0.00 C +ATOM 75 CA GLY A 75 229.106 238.493 257.095 1.00 0.00 C +ATOM 76 CA ARG A 76 226.940 238.369 253.964 1.00 0.00 C +ATOM 77 CA GLN A 77 225.790 241.867 252.984 1.00 0.00 C +ATOM 78 CA HIS A 78 225.203 244.250 250.070 1.00 0.00 C +ATOM 79 CA LEU A 79 226.836 247.683 250.334 1.00 0.00 C +ATOM 80 CA GLY A 80 227.590 251.394 249.918 1.00 0.00 C +ATOM 81 CA ALA A 81 225.389 253.793 247.939 1.00 0.00 C +ATOM 82 CA ILE A 82 225.311 252.797 244.262 1.00 0.00 C +ATOM 83 CA PRO A 83 226.535 249.412 243.012 1.00 0.00 C +ATOM 84 CA PRO A 84 229.257 246.935 242.025 1.00 0.00 C +ATOM 85 CA ALA A 85 228.657 243.503 243.567 1.00 0.00 C +ATOM 86 CA ARG A 86 228.100 239.766 244.057 1.00 0.00 C +ATOM 87 CA GLU A 87 224.327 239.235 244.045 1.00 0.00 C +ATOM 88 CA THR A 88 221.448 241.283 245.470 1.00 0.00 C +ATOM 89 CA PRO A 89 219.835 240.662 248.865 1.00 0.00 C +ATOM 90 CA ALA A 90 217.089 238.244 249.927 1.00 0.00 C +ATOM 91 CA ALA A 91 217.566 236.710 253.381 1.00 0.00 C +ATOM 92 CA ASP A 92 216.835 233.391 255.104 1.00 0.00 C +ATOM 93 CA ARG A 93 213.126 232.618 255.507 1.00 0.00 C +ATOM 94 CA PRO A 94 209.351 233.089 255.314 1.00 0.00 C +ATOM 95 CA PRO A 95 207.800 234.925 258.271 1.00 0.00 C +TER 96 PRO A 95 +END diff --git a/Bacteria/Q07GJ3/Q07GJ3.dcd b/Bacteria/Q07GJ3/Q07GJ3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..6589001fe0c004b111cc7eb87600867d637cb9f0 --- /dev/null +++ b/Bacteria/Q07GJ3/Q07GJ3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1120486ad993c39be37be706e48c281f3da491ee857b317447d55ca9fa5bd28b +size 6200276 diff --git a/Bacteria/Q07GJ3/top.pdb b/Bacteria/Q07GJ3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b6afaa50113b9aec7cbac4c987f47e496d219b17 --- /dev/null +++ b/Bacteria/Q07GJ3/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 1 259.197 241.687 263.422 1.00 0.00 C +ATOM 2 CA LEU A 2 259.901 244.993 261.665 1.00 0.00 C +ATOM 3 CA ARG A 3 261.444 247.887 259.725 1.00 0.00 C +ATOM 4 CA LYS A 4 263.495 248.569 256.588 1.00 0.00 C +ATOM 5 CA ALA A 5 265.803 250.876 254.622 1.00 0.00 C +ATOM 6 CA ALA A 6 266.338 254.646 254.752 1.00 0.00 C +ATOM 7 CA TRP A 7 265.442 256.580 251.594 1.00 0.00 C +ATOM 8 CA HIS A 8 263.792 259.848 250.538 1.00 0.00 C +ATOM 9 CA LYS A 9 260.634 261.032 248.765 1.00 0.00 C +ATOM 10 CA GLY A 10 260.706 259.953 245.112 1.00 0.00 C +ATOM 11 CA GLN A 11 257.581 260.167 242.944 1.00 0.00 C +ATOM 12 CA LYS A 12 254.030 261.337 242.208 1.00 0.00 C +ATOM 13 CA ALA A 13 252.033 261.417 245.452 1.00 0.00 C +ATOM 14 CA VAL A 14 251.877 260.057 249.007 1.00 0.00 C +ATOM 15 CA ARG A 15 249.920 261.022 252.130 1.00 0.00 C +ATOM 16 CA ALA A 16 248.884 260.150 255.692 1.00 0.00 C +ATOM 17 CA LYS A 17 246.116 257.532 255.723 1.00 0.00 C +ATOM 18 CA GLY A 18 245.216 253.859 255.264 1.00 0.00 C +ATOM 19 CA THR A 19 242.429 252.567 253.011 1.00 0.00 C +ATOM 20 CA LYS A 20 241.829 250.326 249.989 1.00 0.00 C +ATOM 21 CA SER A 21 242.945 246.695 249.691 1.00 0.00 C +ATOM 22 CA VAL A 22 243.964 246.339 246.037 1.00 0.00 C +ATOM 23 CA GLY A 23 246.882 248.362 244.656 1.00 0.00 C +ATOM 24 CA PRO A 24 250.154 250.296 244.907 1.00 0.00 C +ATOM 25 CA ALA A 25 253.394 250.164 246.909 1.00 0.00 C +ATOM 26 CA GLY A 26 255.592 252.957 248.281 1.00 0.00 C +ATOM 27 CA LEU A 27 256.580 255.927 250.453 1.00 0.00 C +ATOM 28 CA LYS A 28 254.236 256.371 253.424 1.00 0.00 C +ATOM 29 CA SER A 29 255.644 254.387 256.356 1.00 0.00 C +ATOM 30 CA LEU A 30 256.751 250.876 255.373 1.00 0.00 C +ATOM 31 CA LYS A 31 254.917 247.598 254.734 1.00 0.00 C +ATOM 32 CA THR A 32 253.981 244.681 252.469 1.00 0.00 C +ATOM 33 CA ASN A 33 251.225 242.064 252.734 1.00 0.00 C +ATOM 34 CA VAL A 34 248.839 241.730 249.782 1.00 0.00 C +ATOM 35 CA ARG A 35 247.909 241.119 246.139 1.00 0.00 C +ATOM 36 CA GLU A 36 245.010 239.656 244.145 1.00 0.00 C +ATOM 37 CA GLY A 37 243.228 239.635 240.778 1.00 0.00 C +ATOM 38 CA GLY A 38 239.581 238.588 240.435 1.00 0.00 C +ATOM 39 CA LYS A 39 235.856 238.062 239.827 1.00 0.00 C +ATOM 40 CA VAL A 40 232.299 239.177 240.613 1.00 0.00 C +ATOM 41 CA LYS A 41 231.534 241.038 243.849 1.00 0.00 C +ATOM 42 CA SER A 42 231.030 242.200 247.442 1.00 0.00 C +ATOM 43 CA ARG A 43 233.666 242.875 250.109 1.00 0.00 C +ATOM 44 CA GLU A 44 235.462 246.147 250.870 1.00 0.00 C +ATOM 45 CA GLY A 45 232.650 248.551 251.782 1.00 0.00 C +TER 46 GLY A 45 +END diff --git a/Bacteria/Q07GL9/Q07GL9.dcd b/Bacteria/Q07GL9/Q07GL9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..484cf6b24ee1ce1178af7a5db01f9427db765edd --- /dev/null +++ b/Bacteria/Q07GL9/Q07GL9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:826e785ee4db2466b8bf29003c169ebe2f66e79ead1f67d9f835f9aa682709ba +size 4400276 diff --git a/Bacteria/Q07GL9/top.pdb b/Bacteria/Q07GL9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0f5fe617ecc83a92cc772bbf7279a78e1a2bd159 --- /dev/null +++ b/Bacteria/Q07GL9/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 1 234.149 233.672 267.070 1.00 0.00 C +ATOM 2 CA VAL A 2 235.083 234.628 263.502 1.00 0.00 C +ATOM 3 CA GLN A 3 237.013 237.657 262.231 1.00 0.00 C +ATOM 4 CA VAL A 4 239.870 239.656 260.695 1.00 0.00 C +ATOM 5 CA ALA A 5 241.474 241.936 258.098 1.00 0.00 C +ATOM 6 CA PHE A 6 240.572 245.609 258.558 1.00 0.00 C +ATOM 7 CA GLY A 7 241.466 248.289 256.002 1.00 0.00 C +ATOM 8 CA LYS A 8 244.172 250.671 257.235 1.00 0.00 C +ATOM 9 CA GLU A 9 247.421 250.510 255.252 1.00 0.00 C +ATOM 10 CA GLY A 10 251.166 251.162 255.517 1.00 0.00 C +ATOM 11 CA HIS A 11 254.054 249.578 253.603 1.00 0.00 C +ATOM 12 CA GLY A 12 256.765 246.906 253.428 1.00 0.00 C +ATOM 13 CA GLY A 13 259.670 245.203 251.647 1.00 0.00 C +ATOM 14 CA THR A 14 260.367 246.523 248.141 1.00 0.00 C +ATOM 15 CA THR A 15 259.137 250.128 248.083 1.00 0.00 C +ATOM 16 CA THR A 16 262.187 252.393 247.794 1.00 0.00 C +ATOM 17 CA ARG A 17 261.908 255.035 245.062 1.00 0.00 C +ATOM 18 CA ARG A 18 259.544 258.013 244.822 1.00 0.00 C +ATOM 19 CA LEU A 19 256.449 260.150 245.429 1.00 0.00 C +ATOM 20 CA ALA A 20 254.210 261.754 242.796 1.00 0.00 C +ATOM 21 CA LEU A 21 250.504 261.665 241.916 1.00 0.00 C +ATOM 22 CA ARG A 22 247.598 260.902 244.259 1.00 0.00 C +ATOM 23 CA ARG A 23 245.017 258.211 245.041 1.00 0.00 C +ATOM 24 CA ALA A 24 245.297 254.970 247.024 1.00 0.00 C +ATOM 25 CA SER A 25 247.418 251.969 246.018 1.00 0.00 C +ATOM 26 CA GLN A 26 251.123 251.805 245.147 1.00 0.00 C +ATOM 27 CA ALA A 27 252.028 248.557 243.372 1.00 0.00 C +ATOM 28 CA GLU A 28 254.016 248.686 240.125 1.00 0.00 C +ATOM 29 CA ALA A 29 255.265 250.139 236.831 1.00 0.00 C +ATOM 30 CA ARG A 30 255.058 253.622 235.302 1.00 0.00 C +TER 31 ARG A 30 +END diff --git a/Bacteria/Q07HH4/Q07HH4.dcd b/Bacteria/Q07HH4/Q07HH4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d17f324313559ce568502d54acbe1c1ba6dcd09b --- /dev/null +++ b/Bacteria/Q07HH4/Q07HH4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0b07dec76acfde07cfaf01d6ab38ed22f2ff9dcf5d5cbb3b76ceb685a0db0ce7 +size 38640276 diff --git a/Bacteria/Q07HH4/top.pdb b/Bacteria/Q07HH4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4b5a163ada304c2c6e6afd900832c6b966619d97 --- /dev/null +++ b/Bacteria/Q07HH4/top.pdb @@ -0,0 +1,212 @@ +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 1 211.844 218.008 257.830 1.00 0.00 C +ATOM 2 CA ALA A 2 212.131 220.992 255.479 1.00 0.00 C +ATOM 3 CA LYS A 3 215.635 222.486 255.555 1.00 0.00 C +ATOM 4 CA ASP A 4 217.732 225.118 253.769 1.00 0.00 C +ATOM 5 CA LYS A 5 217.728 228.560 252.134 1.00 0.00 C +ATOM 6 CA LYS A 6 218.508 230.301 248.836 1.00 0.00 C +ATOM 7 CA HIS A 7 216.433 232.128 246.215 1.00 0.00 C +ATOM 8 CA LYS A 8 216.317 235.873 246.909 1.00 0.00 C +ATOM 9 CA LYS A 9 214.275 237.466 244.114 1.00 0.00 C +ATOM 10 CA ASP A 10 215.197 236.925 240.457 1.00 0.00 C +ATOM 11 CA LYS A 11 214.767 234.063 237.979 1.00 0.00 C +ATOM 12 CA SER A 12 216.711 230.819 237.521 1.00 0.00 C +ATOM 13 CA THR A 13 216.128 227.718 239.657 1.00 0.00 C +ATOM 14 CA LYS A 14 215.694 224.545 241.721 1.00 0.00 C +ATOM 15 CA LYS A 15 219.088 223.399 243.017 1.00 0.00 C +ATOM 16 CA ASP A 16 222.243 221.783 244.415 1.00 0.00 C +ATOM 17 CA LYS A 17 224.266 224.559 246.062 1.00 0.00 C +ATOM 18 CA SER A 18 228.011 223.858 246.069 1.00 0.00 C +ATOM 19 CA LYS A 19 230.962 225.763 244.592 1.00 0.00 C +ATOM 20 CA LYS A 20 233.438 225.082 241.778 1.00 0.00 C +ATOM 21 CA ASP A 21 237.130 225.979 242.062 1.00 0.00 C +ATOM 22 CA LYS A 22 240.329 225.467 240.056 1.00 0.00 C +ATOM 23 CA LYS A 23 242.122 222.358 241.335 1.00 0.00 C +ATOM 24 CA ALA A 24 243.877 220.013 243.771 1.00 0.00 C +ATOM 25 CA LYS A 25 246.620 217.457 243.092 1.00 0.00 C +ATOM 26 CA GLN A 26 248.474 215.344 240.520 1.00 0.00 C +ATOM 27 CA LEU A 27 251.500 213.046 240.798 1.00 0.00 C +ATOM 28 CA LEU A 28 255.174 213.707 241.560 1.00 0.00 C +ATOM 29 CA MET A 29 255.475 213.738 245.358 1.00 0.00 C +ATOM 30 CA ALA A 30 256.183 210.116 246.304 1.00 0.00 C +ATOM 31 CA LYS A 31 257.183 206.440 246.396 1.00 0.00 C +ATOM 32 CA LYS A 32 258.128 204.078 243.560 1.00 0.00 C +ATOM 33 CA ALA A 33 255.473 201.357 243.317 1.00 0.00 C +ATOM 34 CA ALA A 34 252.196 199.421 243.140 1.00 0.00 C +ATOM 35 CA LYS A 35 249.430 196.950 244.013 1.00 0.00 C +ATOM 36 CA LYS A 36 249.200 193.842 241.821 1.00 0.00 C +ATOM 37 CA THR A 37 249.371 193.944 238.017 1.00 0.00 C +ATOM 38 CA SER A 38 252.749 195.544 237.278 1.00 0.00 C +ATOM 39 CA LYS A 39 256.466 195.461 236.449 1.00 0.00 C +ATOM 40 CA LYS A 40 258.355 198.634 235.511 1.00 0.00 C +ATOM 41 CA THR A 41 256.656 201.792 236.798 1.00 0.00 C +ATOM 42 CA SER A 42 258.192 205.216 237.459 1.00 0.00 C +ATOM 43 CA LYS A 43 259.697 208.162 239.349 1.00 0.00 C +ATOM 44 CA LYS A 44 261.510 211.186 237.906 1.00 0.00 C +ATOM 45 CA VAL A 45 263.676 213.144 235.458 1.00 0.00 C +ATOM 46 CA ALA A 46 265.134 214.225 232.108 1.00 0.00 C +ATOM 47 CA LYS A 47 264.852 217.981 231.535 1.00 0.00 C +ATOM 48 CA LYS A 48 263.382 221.453 230.988 1.00 0.00 C +ATOM 49 CA THR A 49 264.967 224.599 229.537 1.00 0.00 C +ATOM 50 CA ALA A 50 265.215 227.011 226.598 1.00 0.00 C +ATOM 51 CA LYS A 51 266.903 226.649 223.201 1.00 0.00 C +ATOM 52 CA LYS A 52 269.208 229.490 222.138 1.00 0.00 C +ATOM 53 CA SER A 53 271.679 232.389 222.223 1.00 0.00 C +ATOM 54 CA ALA A 54 271.896 235.288 224.686 1.00 0.00 C +ATOM 55 CA LYS A 55 269.575 234.430 227.583 1.00 0.00 C +ATOM 56 CA LYS A 56 270.642 236.586 230.538 1.00 0.00 C +ATOM 57 CA SER A 57 269.620 237.768 234.013 1.00 0.00 C +ATOM 58 CA ALA A 58 266.182 238.377 235.538 1.00 0.00 C +ATOM 59 CA LYS A 59 263.270 236.284 236.825 1.00 0.00 C +ATOM 60 CA PRO A 60 260.269 237.269 238.955 1.00 0.00 C +ATOM 61 CA SER A 61 260.265 237.402 242.763 1.00 0.00 C +ATOM 62 CA ALA A 62 263.440 238.352 244.642 1.00 0.00 C +ATOM 63 CA LYS A 63 263.453 242.158 244.817 1.00 0.00 C +ATOM 64 CA LYS A 64 263.155 244.440 247.853 1.00 0.00 C +ATOM 65 CA SER A 65 263.770 245.323 251.508 1.00 0.00 C +ATOM 66 CA GLY A 66 262.333 247.461 254.315 1.00 0.00 C +ATOM 67 CA LYS A 67 262.896 251.225 254.502 1.00 0.00 C +ATOM 68 CA LYS A 68 260.127 253.831 254.740 1.00 0.00 C +ATOM 69 CA ALA A 69 258.414 256.725 252.949 1.00 0.00 C +ATOM 70 CA VAL A 70 258.058 260.216 251.467 1.00 0.00 C +ATOM 71 CA LYS A 71 258.852 263.941 251.369 1.00 0.00 C +ATOM 72 CA LYS A 72 257.622 267.484 252.043 1.00 0.00 C +ATOM 73 CA ALA A 73 256.715 268.214 255.671 1.00 0.00 C +ATOM 74 CA ALA A 74 259.257 267.551 258.430 1.00 0.00 C +ATOM 75 CA LYS A 75 259.997 264.533 260.635 1.00 0.00 C +ATOM 76 CA LYS A 76 261.650 264.782 264.059 1.00 0.00 C +ATOM 77 CA THR A 77 262.379 267.561 266.562 1.00 0.00 C +ATOM 78 CA ALA A 78 260.826 266.536 269.887 1.00 0.00 C +ATOM 79 CA SER A 79 260.827 262.865 270.909 1.00 0.00 C +ATOM 80 CA LYS A 80 259.330 260.008 268.881 1.00 0.00 C +ATOM 81 CA LYS A 81 256.123 260.333 266.849 1.00 0.00 C +ATOM 82 CA THR A 82 252.594 260.152 265.426 1.00 0.00 C +ATOM 83 CA VAL A 83 250.260 257.513 263.975 1.00 0.00 C +ATOM 84 CA LYS A 84 248.399 254.612 262.351 1.00 0.00 C +ATOM 85 CA LYS A 85 245.460 253.082 260.471 1.00 0.00 C +ATOM 86 CA ALA A 86 243.319 252.566 257.361 1.00 0.00 C +ATOM 87 CA GLY A 87 241.450 254.347 254.560 1.00 0.00 C +ATOM 88 CA LYS A 88 243.653 256.596 252.413 1.00 0.00 C +ATOM 89 CA LYS A 89 243.289 256.487 248.622 1.00 0.00 C +ATOM 90 CA ALA A 90 242.195 253.151 247.143 1.00 0.00 C +ATOM 91 CA THR A 91 241.486 250.298 244.719 1.00 0.00 C +ATOM 92 CA LYS A 92 238.861 251.670 242.324 1.00 0.00 C +ATOM 93 CA LYS A 93 239.051 251.579 238.520 1.00 0.00 C +ATOM 94 CA ALA A 94 241.167 254.054 236.541 1.00 0.00 C +ATOM 95 CA ALA A 95 244.974 253.927 236.423 1.00 0.00 C +ATOM 96 CA ALA A 96 246.254 250.399 235.765 1.00 0.00 C +ATOM 97 CA LYS A 97 245.096 247.448 233.653 1.00 0.00 C +ATOM 98 CA LYS A 98 241.995 248.704 231.831 1.00 0.00 C +ATOM 99 CA SER A 99 241.675 249.737 228.177 1.00 0.00 C +ATOM 100 CA SER A 100 241.753 246.569 226.062 1.00 0.00 C +ATOM 101 CA ALA A 101 241.620 242.912 225.002 1.00 0.00 C +ATOM 102 CA LYS A 102 241.368 239.148 225.534 1.00 0.00 C +ATOM 103 CA LYS A 103 238.240 238.119 227.450 1.00 0.00 C +ATOM 104 CA THR A 104 236.824 234.595 227.142 1.00 0.00 C +ATOM 105 CA VAL A 105 236.503 233.038 230.604 1.00 0.00 C +ATOM 106 CA ALA A 106 234.721 232.537 233.934 1.00 0.00 C +ATOM 107 CA LYS A 107 235.959 234.280 237.088 1.00 0.00 C +ATOM 108 CA LYS A 108 239.707 233.606 237.204 1.00 0.00 C +ATOM 109 CA ALA A 109 242.884 234.946 238.825 1.00 0.00 C +ATOM 110 CA LYS A 110 245.211 237.546 240.354 1.00 0.00 C +ATOM 111 CA ALA A 111 247.389 240.633 239.859 1.00 0.00 C +ATOM 112 CA SER A 112 246.875 244.384 239.432 1.00 0.00 C +ATOM 113 CA SER A 113 249.968 245.583 237.559 1.00 0.00 C +ATOM 114 CA GLY A 114 252.900 247.999 237.846 1.00 0.00 C +ATOM 115 CA LYS A 115 254.744 250.016 235.192 1.00 0.00 C +ATOM 116 CA LYS A 116 255.654 252.200 232.205 1.00 0.00 C +ATOM 117 CA ALA A 117 255.271 255.951 232.752 1.00 0.00 C +ATOM 118 CA THR A 118 253.327 259.218 232.506 1.00 0.00 C +ATOM 119 CA LYS A 119 252.670 262.447 234.420 1.00 0.00 C +ATOM 120 CA LYS A 120 249.514 264.402 235.275 1.00 0.00 C +ATOM 121 CA ALA A 121 246.611 266.728 236.097 1.00 0.00 C +ATOM 122 CA ALA A 122 243.047 266.168 237.322 1.00 0.00 C +ATOM 123 CA LYS A 123 239.606 267.525 238.238 1.00 0.00 C +ATOM 124 CA THR A 124 239.185 270.982 239.785 1.00 0.00 C +ATOM 125 CA ARG A 125 236.285 273.353 239.093 1.00 0.00 C +ATOM 126 CA ALA A 126 234.326 276.621 239.053 1.00 0.00 C +ATOM 127 CA LYS A 127 234.575 278.010 242.592 1.00 0.00 C +ATOM 128 CA THR A 128 234.562 276.269 245.980 1.00 0.00 C +ATOM 129 CA SER A 129 234.502 276.013 249.781 1.00 0.00 C +ATOM 130 CA ALA A 130 236.890 273.255 250.878 1.00 0.00 C +ATOM 131 CA LYS A 131 240.017 271.883 252.568 1.00 0.00 C +ATOM 132 CA SER A 132 240.520 272.154 256.335 1.00 0.00 C +ATOM 133 CA THR A 133 242.395 269.272 257.978 1.00 0.00 C +ATOM 134 CA VAL A 134 246.081 270.082 257.451 1.00 0.00 C +ATOM 135 CA ALA A 135 246.444 271.862 254.102 1.00 0.00 C +ATOM 136 CA ALA A 136 248.091 275.233 254.763 1.00 0.00 C +ATOM 137 CA THR A 137 248.639 277.543 251.782 1.00 0.00 C +ATOM 138 CA PRO A 138 251.401 277.784 249.168 1.00 0.00 C +ATOM 139 CA GLU A 139 252.128 280.486 246.582 1.00 0.00 C +ATOM 140 CA THR A 140 254.697 282.825 248.145 1.00 0.00 C +ATOM 141 CA PRO A 141 257.683 284.828 249.406 1.00 0.00 C +ATOM 142 CA VAL A 142 261.120 283.413 248.570 1.00 0.00 C +ATOM 143 CA GLU A 143 264.258 281.480 249.536 1.00 0.00 C +ATOM 144 CA ALA A 144 267.374 279.339 249.066 1.00 0.00 C +ATOM 145 CA VAL A 145 268.882 277.492 246.094 1.00 0.00 C +ATOM 146 CA ALA A 146 269.032 275.301 242.981 1.00 0.00 C +ATOM 147 CA ALA A 147 272.451 274.606 241.450 1.00 0.00 C +ATOM 148 CA PRO A 148 273.509 275.892 238.024 1.00 0.00 C +ATOM 149 CA ALA A 149 274.844 274.936 234.585 1.00 0.00 C +ATOM 150 CA PRO A 150 272.612 272.293 232.988 1.00 0.00 C +ATOM 151 CA ALA A 151 274.282 268.995 233.911 1.00 0.00 C +ATOM 152 CA PRO A 152 273.441 265.629 235.485 1.00 0.00 C +ATOM 153 CA LYS A 153 276.453 263.354 234.961 1.00 0.00 C +ATOM 154 CA PRO A 154 279.120 262.368 232.425 1.00 0.00 C +ATOM 155 CA ARG A 155 282.299 260.285 232.157 1.00 0.00 C +ATOM 156 CA LYS A 156 284.494 258.635 234.798 1.00 0.00 C +ATOM 157 CA PRO A 157 285.129 257.893 238.480 1.00 0.00 C +ATOM 158 CA ARG A 158 282.587 259.964 240.422 1.00 0.00 C +ATOM 159 CA ALA A 159 280.377 260.126 243.521 1.00 0.00 C +ATOM 160 CA PRO A 160 280.588 262.603 246.408 1.00 0.00 C +ATOM 161 CA ARG A 161 279.135 260.738 249.396 1.00 0.00 C +ATOM 162 CA PRO A 162 279.238 261.335 253.157 1.00 0.00 C +ATOM 163 CA LYS A 163 277.654 262.255 256.498 1.00 0.00 C +ATOM 164 CA PRO A 164 274.657 261.502 258.726 1.00 0.00 C +ATOM 165 CA ALA A 165 271.862 259.081 259.646 1.00 0.00 C +ATOM 166 CA PRO A 166 268.990 256.703 258.865 1.00 0.00 C +ATOM 167 CA ALA A 167 266.146 254.739 260.468 1.00 0.00 C +ATOM 168 CA PRO A 168 262.822 255.222 262.266 1.00 0.00 C +ATOM 169 CA ALA A 169 260.694 254.128 265.232 1.00 0.00 C +ATOM 170 CA PRO A 170 257.187 252.848 265.990 1.00 0.00 C +ATOM 171 CA GLU A 171 254.098 253.614 268.085 1.00 0.00 C +ATOM 172 CA ALA A 172 254.409 256.128 270.931 1.00 0.00 C +ATOM 173 CA ALA A 173 251.038 257.535 272.016 1.00 0.00 C +ATOM 174 CA THR A 174 251.162 261.343 272.009 1.00 0.00 C +ATOM 175 CA THR A 175 249.017 263.890 270.157 1.00 0.00 C +ATOM 176 CA GLU A 176 246.484 264.800 267.461 1.00 0.00 C +ATOM 177 CA TRP A 177 243.575 267.076 266.526 1.00 0.00 C +ATOM 178 CA ALA A 178 244.751 270.597 265.664 1.00 0.00 C +ATOM 179 CA ALA A 179 247.186 273.485 265.171 1.00 0.00 C +ATOM 180 CA PRO A 180 248.003 275.533 262.064 1.00 0.00 C +ATOM 181 CA GLU A 181 244.844 276.872 260.409 1.00 0.00 C +ATOM 182 CA PRO A 182 242.025 277.577 262.874 1.00 0.00 C +ATOM 183 CA THR A 183 240.022 275.040 264.891 1.00 0.00 C +ATOM 184 CA PRO A 184 239.654 275.388 268.668 1.00 0.00 C +ATOM 185 CA VAL A 185 237.071 276.935 271.001 1.00 0.00 C +ATOM 186 CA GLU A 186 233.896 278.483 269.573 1.00 0.00 C +ATOM 187 CA SER A 187 233.215 281.980 270.925 1.00 0.00 C +ATOM 188 CA PRO A 188 230.691 282.444 273.740 1.00 0.00 C +ATOM 189 CA VAL A 189 232.084 282.685 277.278 1.00 0.00 C +ATOM 190 CA ALA A 190 235.606 282.173 278.638 1.00 0.00 C +ATOM 191 CA PHE A 191 239.262 281.927 277.594 1.00 0.00 C +ATOM 192 CA ASP A 192 242.160 280.288 279.447 1.00 0.00 C +ATOM 193 CA ASP A 193 245.145 282.312 280.676 1.00 0.00 C +ATOM 194 CA ASP A 194 248.427 281.059 282.150 1.00 0.00 C +ATOM 195 CA ASN A 195 248.809 277.781 284.055 1.00 0.00 C +ATOM 196 CA GLY A 196 246.647 274.953 285.412 1.00 0.00 C +ATOM 197 CA ARG A 197 244.336 271.953 284.996 1.00 0.00 C +ATOM 198 CA THR A 198 241.748 270.919 287.593 1.00 0.00 C +ATOM 199 CA SER A 199 239.238 269.245 289.920 1.00 0.00 C +ATOM 200 CA VAL A 200 239.688 265.699 291.238 1.00 0.00 C +ATOM 201 CA GLY A 201 242.573 263.256 291.715 1.00 0.00 C +ATOM 202 CA ASN A 202 245.304 264.053 289.182 1.00 0.00 C +ATOM 203 CA THR A 203 244.745 263.650 285.434 1.00 0.00 C +ATOM 204 CA GLY A 204 247.076 261.196 283.687 1.00 0.00 C +ATOM 205 CA VAL A 205 248.909 258.992 286.197 1.00 0.00 C +ATOM 206 CA GLU A 206 247.783 256.892 289.170 1.00 0.00 C +ATOM 207 CA THR A 207 246.139 257.236 292.590 1.00 0.00 C +ATOM 208 CA LEU A 208 245.423 253.947 294.375 1.00 0.00 C +TER 209 LEU A 208 +END diff --git a/Bacteria/Q07IZ0/Q07IZ0.dcd b/Bacteria/Q07IZ0/Q07IZ0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c7c3a48d3926d4cfb9f61f89fffb97baf771a853 --- /dev/null +++ b/Bacteria/Q07IZ0/Q07IZ0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:433690815460e4d587939c08a574358d68aae21db06664bbd125dc7e40ebe43a +size 7040276 diff --git a/Bacteria/Q07IZ0/top.pdb b/Bacteria/Q07IZ0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..68fc52d040066acda87efa568b7131b2e41aea90 --- /dev/null +++ b/Bacteria/Q07IZ0/top.pdb @@ -0,0 +1,56 @@ +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 1 253.194 230.520 266.883 1.00 0.00 C +ATOM 2 CA ALA A 2 250.397 233.097 267.104 1.00 0.00 C +ATOM 3 CA ASP A 3 246.945 231.702 267.914 1.00 0.00 C +ATOM 4 CA THR A 4 243.300 230.770 268.514 1.00 0.00 C +ATOM 5 CA ALA A 5 242.142 231.823 271.988 1.00 0.00 C +ATOM 6 CA ALA A 6 238.852 233.723 271.701 1.00 0.00 C +ATOM 7 CA GLN A 7 235.342 234.810 270.693 1.00 0.00 C +ATOM 8 CA HIS A 8 233.283 237.110 268.460 1.00 0.00 C +ATOM 9 CA ASP A 9 235.844 239.424 266.847 1.00 0.00 C +ATOM 10 CA LYS A 10 237.744 240.913 269.794 1.00 0.00 C +ATOM 11 CA LYS A 11 237.353 244.688 269.459 1.00 0.00 C +ATOM 12 CA ASN A 12 234.965 247.535 268.615 1.00 0.00 C +ATOM 13 CA LYS A 13 235.870 249.617 265.555 1.00 0.00 C +ATOM 14 CA GLN A 14 237.612 250.290 262.235 1.00 0.00 C +ATOM 15 CA GLU A 15 237.092 253.535 260.307 1.00 0.00 C +ATOM 16 CA GLN A 16 236.250 253.866 256.606 1.00 0.00 C +ATOM 17 CA ASP A 17 236.393 252.551 253.033 1.00 0.00 C +ATOM 18 CA LYS A 18 236.761 254.496 249.777 1.00 0.00 C +ATOM 19 CA GLU A 19 236.110 258.213 249.251 1.00 0.00 C +ATOM 20 CA LEU A 20 234.065 261.351 249.947 1.00 0.00 C +ATOM 21 CA ASP A 21 236.611 264.185 249.899 1.00 0.00 C +ATOM 22 CA GLU A 22 239.655 266.137 251.098 1.00 0.00 C +ATOM 23 CA ALA A 23 238.584 269.218 253.067 1.00 0.00 C +ATOM 24 CA LEU A 24 240.749 270.993 255.651 1.00 0.00 C +ATOM 25 CA GLN A 25 244.536 271.371 255.471 1.00 0.00 C +ATOM 26 CA GLU A 26 245.975 268.571 257.617 1.00 0.00 C +ATOM 27 CA SER A 27 248.080 265.909 255.885 1.00 0.00 C +ATOM 28 CA PHE A 28 251.806 265.113 255.905 1.00 0.00 C +ATOM 29 CA PRO A 29 254.916 265.449 253.730 1.00 0.00 C +ATOM 30 CA GLY A 30 257.040 262.338 253.166 1.00 0.00 C +ATOM 31 CA SER A 31 258.868 260.735 256.100 1.00 0.00 C +ATOM 32 CA ASP A 32 259.648 257.008 255.965 1.00 0.00 C +ATOM 33 CA PRO A 33 259.555 253.467 257.368 1.00 0.00 C +ATOM 34 CA VAL A 34 262.512 251.424 256.105 1.00 0.00 C +ATOM 35 CA SER A 35 261.950 249.111 253.130 1.00 0.00 C +ATOM 36 CA ILE A 36 261.269 246.960 250.060 1.00 0.00 C +ATOM 37 CA THR A 37 259.567 245.840 246.841 1.00 0.00 C +ATOM 38 CA GLN A 38 259.817 244.141 243.440 1.00 0.00 C +ATOM 39 CA PRO A 39 257.801 240.907 243.450 1.00 0.00 C +ATOM 40 CA ALA A 40 254.952 240.832 240.922 1.00 0.00 C +ATOM 41 CA PRO A 41 253.965 242.151 237.486 1.00 0.00 C +ATOM 42 CA SER A 42 254.248 244.774 234.737 1.00 0.00 C +ATOM 43 CA LYS A 43 255.853 244.166 231.336 1.00 0.00 C +ATOM 44 CA PRO A 44 257.768 244.851 228.114 1.00 0.00 C +ATOM 45 CA ASP A 45 260.827 246.545 226.600 1.00 0.00 C +ATOM 46 CA ALA A 46 262.775 246.682 223.329 1.00 0.00 C +ATOM 47 CA ASP A 47 265.458 248.832 221.688 1.00 0.00 C +ATOM 48 CA SER A 48 268.008 249.807 219.031 1.00 0.00 C +ATOM 49 CA LYS A 49 271.748 249.730 218.306 1.00 0.00 C +ATOM 50 CA ARG A 50 273.754 251.755 215.779 1.00 0.00 C +ATOM 51 CA LYS A 51 272.433 251.826 212.206 1.00 0.00 C +ATOM 52 CA HIS A 52 269.761 249.136 211.839 1.00 0.00 C +TER 53 HIS A 52 +END diff --git a/Bacteria/Q07K79/Q07K79.dcd b/Bacteria/Q07K79/Q07K79.dcd new file mode 100644 index 0000000000000000000000000000000000000000..eb760e2ce7afd749aa5aa2fbf730c90ac6e8e759 --- /dev/null +++ b/Bacteria/Q07K79/Q07K79.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e02886a453b518480ab0bf77b78d0d127015d3cb9169f1331b25eb2a68abc3b6 +size 14840276 diff --git a/Bacteria/Q07K79/top.pdb b/Bacteria/Q07K79/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b62ef1be2ed819c09e159aaff5fdd5ebad93e701 --- /dev/null +++ b/Bacteria/Q07K79/top.pdb @@ -0,0 +1,121 @@ +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 1 231.660 253.818 270.893 1.00 0.00 C +ATOM 2 CA ALA A 2 235.178 254.751 272.022 1.00 0.00 C +ATOM 3 CA ARG A 3 238.171 252.598 271.064 1.00 0.00 C +ATOM 4 CA LYS A 4 241.032 253.652 273.349 1.00 0.00 C +ATOM 5 CA TYR A 5 243.347 256.093 275.137 1.00 0.00 C +ATOM 6 CA SER A 6 245.988 254.179 277.106 1.00 0.00 C +ATOM 7 CA LYS A 7 248.116 251.173 278.082 1.00 0.00 C +ATOM 8 CA ALA A 8 248.293 247.495 277.103 1.00 0.00 C +ATOM 9 CA ALA A 9 249.499 243.896 277.432 1.00 0.00 C +ATOM 10 CA SER A 10 251.786 241.974 279.796 1.00 0.00 C +ATOM 11 CA THR A 11 255.351 241.820 278.459 1.00 0.00 C +ATOM 12 CA LYS A 12 255.781 244.718 276.023 1.00 0.00 C +ATOM 13 CA VAL A 13 255.642 243.622 272.377 1.00 0.00 C +ATOM 14 CA GLU A 14 253.019 240.983 271.555 1.00 0.00 C +ATOM 15 CA ARG A 15 249.528 239.974 272.699 1.00 0.00 C +ATOM 16 CA ALA A 16 246.389 241.780 271.517 1.00 0.00 C +ATOM 17 CA MET A 17 246.209 241.773 267.711 1.00 0.00 C +ATOM 18 CA LYS A 18 242.728 242.950 266.705 1.00 0.00 C +ATOM 19 CA GLU A 19 240.012 241.555 268.982 1.00 0.00 C +ATOM 20 CA ARG A 20 238.669 238.028 268.460 1.00 0.00 C +ATOM 21 CA LYS A 21 238.110 237.631 264.713 1.00 0.00 C +ATOM 22 CA ALA A 22 240.864 238.677 262.297 1.00 0.00 C +ATOM 23 CA GLY A 23 241.305 241.736 260.069 1.00 0.00 C +ATOM 24 CA THR A 24 242.507 240.816 256.572 1.00 0.00 C +ATOM 25 CA LEU A 25 244.654 237.672 256.695 1.00 0.00 C +ATOM 26 CA LYS A 26 248.464 237.646 256.745 1.00 0.00 C +ATOM 27 CA SER A 27 251.525 239.848 257.288 1.00 0.00 C +ATOM 28 CA GLY A 28 253.735 239.793 254.185 1.00 0.00 C +ATOM 29 CA ARG A 29 255.853 237.600 251.899 1.00 0.00 C +ATOM 30 CA SER A 30 256.510 239.718 248.800 1.00 0.00 C +ATOM 31 CA GLY A 31 254.854 241.719 246.014 1.00 0.00 C +ATOM 32 CA GLN A 32 253.083 239.381 243.581 1.00 0.00 C +ATOM 33 CA LYS A 33 251.049 236.415 242.326 1.00 0.00 C +ATOM 34 CA VAL A 34 252.572 233.150 241.088 1.00 0.00 C +ATOM 35 CA THR A 35 256.366 232.854 240.889 1.00 0.00 C +ATOM 36 CA SER A 36 259.741 231.283 240.077 1.00 0.00 C +ATOM 37 CA ARG A 37 259.761 227.734 241.460 1.00 0.00 C +ATOM 38 CA LYS A 38 262.707 225.421 240.761 1.00 0.00 C +ATOM 39 CA GLN A 39 264.323 225.799 237.332 1.00 0.00 C +ATOM 40 CA ALA A 40 265.925 229.042 236.135 1.00 0.00 C +ATOM 41 CA ILE A 41 267.210 232.157 234.356 1.00 0.00 C +ATOM 42 CA ALA A 42 267.849 235.668 233.022 1.00 0.00 C +ATOM 43 CA ILE A 43 268.786 238.913 231.260 1.00 0.00 C +ATOM 44 CA GLY A 44 268.120 242.147 229.358 1.00 0.00 C +ATOM 45 CA LEU A 45 269.735 244.855 231.497 1.00 0.00 C +ATOM 46 CA SER A 46 271.787 247.696 232.991 1.00 0.00 C +ATOM 47 CA GLU A 47 274.289 249.198 235.441 1.00 0.00 C +ATOM 48 CA ALA A 48 273.944 249.240 239.235 1.00 0.00 C +ATOM 49 CA ARG A 49 271.874 249.203 242.433 1.00 0.00 C +ATOM 50 CA ALA A 50 270.085 251.082 245.223 1.00 0.00 C +ATOM 51 CA GLU A 51 266.278 251.041 245.384 1.00 0.00 C +ATOM 52 CA GLY A 52 263.288 248.912 244.361 1.00 0.00 C +ATOM 53 CA LYS A 53 260.080 249.658 242.447 1.00 0.00 C +ATOM 54 CA LYS A 54 259.741 252.929 240.523 1.00 0.00 C +ATOM 55 CA ALA A 55 257.554 256.013 240.988 1.00 0.00 C +ATOM 56 CA PRO A 56 254.962 255.375 243.707 1.00 0.00 C +ATOM 57 CA LYS A 57 251.274 256.083 244.351 1.00 0.00 C +ATOM 58 CA GLN A 58 248.435 257.852 242.528 1.00 0.00 C +ATOM 59 CA PRO A 59 247.230 257.085 238.996 1.00 0.00 C +ATOM 60 CA THR A 60 243.699 255.713 238.584 1.00 0.00 C +ATOM 61 CA GLY A 61 241.750 253.187 236.501 1.00 0.00 C +ATOM 62 CA LYS A 62 240.438 250.620 234.011 1.00 0.00 C +ATOM 63 CA LYS A 63 241.856 250.547 230.476 1.00 0.00 C +ATOM 64 CA ALA A 64 241.395 251.864 226.930 1.00 0.00 C +ATOM 65 CA ALA A 65 242.138 255.468 225.944 1.00 0.00 C +ATOM 66 CA LYS A 66 240.940 258.410 228.048 1.00 0.00 C +ATOM 67 CA THR A 67 240.710 257.567 231.756 1.00 0.00 C +ATOM 68 CA THR A 68 243.309 259.516 233.746 1.00 0.00 C +ATOM 69 CA ALA A 69 246.229 261.025 231.820 1.00 0.00 C +ATOM 70 CA LYS A 70 247.817 264.371 232.718 1.00 0.00 C +ATOM 71 CA LYS A 71 250.318 265.012 229.916 1.00 0.00 C +ATOM 72 CA SER A 72 249.234 265.781 226.345 1.00 0.00 C +ATOM 73 CA THR A 73 245.963 263.930 225.723 1.00 0.00 C +ATOM 74 CA MET A 74 247.011 260.494 224.452 1.00 0.00 C +ATOM 75 CA LYS A 75 247.942 257.106 225.927 1.00 0.00 C +ATOM 76 CA LYS A 76 250.694 257.721 228.488 1.00 0.00 C +ATOM 77 CA ALA A 77 252.517 256.781 231.699 1.00 0.00 C +ATOM 78 CA ALA A 78 254.273 257.658 234.964 1.00 0.00 C +ATOM 79 CA LYS A 79 254.055 260.750 237.180 1.00 0.00 C +ATOM 80 CA LYS A 80 255.577 262.262 240.329 1.00 0.00 C +ATOM 81 CA SER A 81 255.127 264.473 243.399 1.00 0.00 C +ATOM 82 CA THR A 82 252.291 266.756 244.523 1.00 0.00 C +ATOM 83 CA LYS A 83 252.535 267.135 248.306 1.00 0.00 C +ATOM 84 CA LYS A 84 253.457 266.843 251.991 1.00 0.00 C +ATOM 85 CA SER A 85 255.914 266.757 254.902 1.00 0.00 C +ATOM 86 CA THR A 86 258.194 269.808 255.009 1.00 0.00 C +ATOM 87 CA LYS A 87 261.342 270.455 252.963 1.00 0.00 C +ATOM 88 CA ARG A 88 260.322 270.039 249.316 1.00 0.00 C +ATOM 89 CA ALA A 89 260.432 266.365 248.313 1.00 0.00 C +ATOM 90 CA SER A 90 261.137 262.972 249.896 1.00 0.00 C +ATOM 91 CA SER A 91 258.146 260.647 250.301 1.00 0.00 C +ATOM 92 CA LYS A 92 256.572 257.291 251.180 1.00 0.00 C +ATOM 93 CA SER A 93 253.003 256.639 252.344 1.00 0.00 C +ATOM 94 CA SER A 94 251.627 260.010 253.468 1.00 0.00 C +ATOM 95 CA THR A 95 250.098 260.781 256.872 1.00 0.00 C +ATOM 96 CA ALA A 96 248.677 260.241 260.365 1.00 0.00 C +ATOM 97 CA LYS A 97 249.520 258.437 263.613 1.00 0.00 C +ATOM 98 CA ASN A 98 249.760 258.552 267.414 1.00 0.00 C +ATOM 99 CA THR A 99 249.231 255.128 268.999 1.00 0.00 C +ATOM 100 CA ALA A 100 246.605 252.436 268.388 1.00 0.00 C +ATOM 101 CA LYS A 101 246.137 249.065 266.676 1.00 0.00 C +ATOM 102 CA LYS A 102 245.348 247.270 263.409 1.00 0.00 C +ATOM 103 CA THR A 103 242.909 248.103 260.603 1.00 0.00 C +ATOM 104 CA SER A 104 240.015 249.860 262.350 1.00 0.00 C +ATOM 105 CA ARG A 105 237.262 252.342 261.468 1.00 0.00 C +ATOM 106 CA LYS A 106 234.773 254.384 259.430 1.00 0.00 C +ATOM 107 CA SER A 107 233.722 254.506 255.770 1.00 0.00 C +ATOM 108 CA SER A 108 231.509 255.964 253.032 1.00 0.00 C +ATOM 109 CA LYS A 109 230.322 253.875 250.076 1.00 0.00 C +ATOM 110 CA LYS A 110 228.876 250.470 249.161 1.00 0.00 C +ATOM 111 CA ARG A 111 228.718 246.665 249.044 1.00 0.00 C +ATOM 112 CA THR A 112 228.650 242.858 248.930 1.00 0.00 C +ATOM 113 CA THR A 113 231.816 241.057 250.048 1.00 0.00 C +ATOM 114 CA LYS A 114 235.257 242.519 250.784 1.00 0.00 C +ATOM 115 CA LYS A 115 237.882 241.476 248.227 1.00 0.00 C +ATOM 116 CA SER A 116 237.760 238.911 245.412 1.00 0.00 C +ATOM 117 CA ARG A 117 234.359 237.253 244.963 1.00 0.00 C +TER 118 ARG A 117 +END diff --git a/Bacteria/Q07KF1/Q07KF1.dcd b/Bacteria/Q07KF1/Q07KF1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..0f4b40b8a76d01b65daa3d1d67d76dbdf77ea53c --- /dev/null +++ b/Bacteria/Q07KF1/Q07KF1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:138563a54527afa0645fdb6dd2250a819c3000dbe88b6660f24308209cb2b991 +size 6080276 diff --git a/Bacteria/Q07KF1/top.pdb b/Bacteria/Q07KF1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c12817826d2593d195d3f3f375226fc9fed947e8 --- /dev/null +++ b/Bacteria/Q07KF1/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 MET A 1 254.251 274.449 228.905 1.00 0.00 C +ATOM 2 CA ALA A 2 251.530 275.022 231.510 1.00 0.00 C +ATOM 3 CA LYS A 3 249.780 273.593 234.578 1.00 0.00 C +ATOM 4 CA GLY A 4 247.076 270.950 235.043 1.00 0.00 C +ATOM 5 CA GLU A 5 247.721 268.115 232.581 1.00 0.00 C +ATOM 6 CA GLN A 6 250.564 265.903 233.822 1.00 0.00 C +ATOM 7 CA LYS A 7 254.359 265.666 233.581 1.00 0.00 C +ATOM 8 CA GLY A 8 255.945 268.724 235.208 1.00 0.00 C +ATOM 9 CA ASN A 9 259.019 268.728 237.458 1.00 0.00 C +ATOM 10 CA ARG A 10 259.894 267.194 240.834 1.00 0.00 C +ATOM 11 CA GLU A 11 258.688 263.603 241.249 1.00 0.00 C +ATOM 12 CA ALA A 12 257.489 260.132 240.235 1.00 0.00 C +ATOM 13 CA LYS A 13 258.435 256.445 240.391 1.00 0.00 C +ATOM 14 CA LYS A 14 255.246 254.578 241.319 1.00 0.00 C +ATOM 15 CA PRO A 15 251.626 253.578 241.959 1.00 0.00 C +ATOM 16 CA LYS A 16 248.154 252.314 241.030 1.00 0.00 C +ATOM 17 CA LYS A 17 247.260 248.755 240.004 1.00 0.00 C +ATOM 18 CA ASP A 18 244.099 247.346 241.598 1.00 0.00 C +ATOM 19 CA LYS A 19 244.659 245.545 244.908 1.00 0.00 C +ATOM 20 CA VAL A 20 248.222 244.270 245.356 1.00 0.00 C +ATOM 21 CA LYS A 21 250.589 244.467 248.335 1.00 0.00 C +ATOM 22 CA THR A 22 251.860 247.144 250.729 1.00 0.00 C +ATOM 23 CA ILE A 23 253.203 247.265 254.293 1.00 0.00 C +ATOM 24 CA ALA A 24 254.632 250.532 255.635 1.00 0.00 C +ATOM 25 CA ALA A 25 258.425 250.773 255.899 1.00 0.00 C +ATOM 26 CA ALA A 26 261.814 249.267 256.771 1.00 0.00 C +ATOM 27 CA PRO A 27 264.418 247.201 258.633 1.00 0.00 C +ATOM 28 CA SER A 28 262.399 244.844 260.843 1.00 0.00 C +ATOM 29 CA GLN A 29 258.752 245.870 261.245 1.00 0.00 C +ATOM 30 CA LYS A 30 256.126 246.489 263.935 1.00 0.00 C +ATOM 31 CA THR A 31 252.478 246.139 262.892 1.00 0.00 C +ATOM 32 CA ALA A 32 249.679 245.818 260.327 1.00 0.00 C +ATOM 33 CA GLY A 33 246.230 244.199 260.329 1.00 0.00 C +ATOM 34 CA TRP A 34 243.109 244.383 258.152 1.00 0.00 C +ATOM 35 CA GLN A 35 239.484 243.786 257.140 1.00 0.00 C +ATOM 36 CA PRO A 36 238.353 240.296 258.168 1.00 0.00 C +ATOM 37 CA THR A 37 239.827 239.651 261.621 1.00 0.00 C +ATOM 38 CA ILE A 38 240.506 237.479 264.677 1.00 0.00 C +ATOM 39 CA GLY A 39 241.125 234.265 266.628 1.00 0.00 C +ATOM 40 CA THR A 40 239.903 230.803 265.609 1.00 0.00 C +ATOM 41 CA GLY A 41 237.075 228.387 264.786 1.00 0.00 C +ATOM 42 CA LYS A 42 236.454 224.639 264.491 1.00 0.00 C +ATOM 43 CA LYS A 43 238.507 221.880 262.853 1.00 0.00 C +ATOM 44 CA LYS A 44 241.037 219.513 264.439 1.00 0.00 C +TER 45 LYS A 44 +END diff --git a/Bacteria/Q07L98/Q07L98.dcd b/Bacteria/Q07L98/Q07L98.dcd new file mode 100644 index 0000000000000000000000000000000000000000..4e4537966ea3d4f2de6a9bbc791861dd668075fb --- /dev/null +++ b/Bacteria/Q07L98/Q07L98.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a7547b4df4ad4805a747add5410a417cf87ce119f90e7f54df33fa534ce6c113 +size 6200276 diff --git a/Bacteria/Q07L98/top.pdb b/Bacteria/Q07L98/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ef007949338dd91c7d889441bbffea3d5e1f4092 --- /dev/null +++ b/Bacteria/Q07L98/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 1 244.749 258.921 251.891 1.00 0.00 C +ATOM 2 CA ALA A 2 243.891 258.966 255.603 1.00 0.00 C +ATOM 3 CA LYS A 3 243.651 260.799 258.935 1.00 0.00 C +ATOM 4 CA LYS A 4 241.266 259.925 261.774 1.00 0.00 C +ATOM 5 CA ALA A 5 237.583 259.000 262.091 1.00 0.00 C +ATOM 6 CA LYS A 6 236.805 255.478 260.863 1.00 0.00 C +ATOM 7 CA ALA A 7 237.515 252.074 262.421 1.00 0.00 C +ATOM 8 CA LYS A 8 236.913 250.278 265.727 1.00 0.00 C +ATOM 9 CA LYS A 9 238.854 247.137 266.667 1.00 0.00 C +ATOM 10 CA ALA A 10 240.261 245.297 269.692 1.00 0.00 C +ATOM 11 CA THR A 11 243.726 243.998 268.784 1.00 0.00 C +ATOM 12 CA LYS A 12 245.872 246.931 267.639 1.00 0.00 C +ATOM 13 CA THR A 13 248.161 246.285 264.662 1.00 0.00 C +ATOM 14 CA VAL A 14 248.484 243.964 261.658 1.00 0.00 C +ATOM 15 CA LYS A 15 248.538 243.985 257.849 1.00 0.00 C +ATOM 16 CA LYS A 16 248.334 245.567 254.389 1.00 0.00 C +ATOM 17 CA ALA A 17 248.940 249.315 254.073 1.00 0.00 C +ATOM 18 CA LYS A 18 246.821 251.813 256.019 1.00 0.00 C +ATOM 19 CA THR A 19 243.570 251.027 257.844 1.00 0.00 C +ATOM 20 CA ALA A 20 240.144 252.416 256.923 1.00 0.00 C +ATOM 21 CA LYS A 21 237.737 251.503 254.115 1.00 0.00 C +ATOM 22 CA SER A 22 238.324 250.541 250.476 1.00 0.00 C +ATOM 23 CA ALA A 23 238.815 253.283 247.877 1.00 0.00 C +ATOM 24 CA VAL A 24 240.393 252.126 244.608 1.00 0.00 C +ATOM 25 CA LYS A 25 241.768 248.582 244.868 1.00 0.00 C +ATOM 26 CA LYS A 26 242.726 244.914 245.242 1.00 0.00 C +ATOM 27 CA THR A 27 246.015 244.462 247.111 1.00 0.00 C +ATOM 28 CA ALA A 28 249.323 244.107 245.255 1.00 0.00 C +ATOM 29 CA LYS A 29 253.119 243.928 244.979 1.00 0.00 C +ATOM 30 CA LYS A 30 254.480 246.828 242.917 1.00 0.00 C +ATOM 31 CA THR A 31 255.241 246.144 239.247 1.00 0.00 C +ATOM 32 CA LYS A 32 254.759 247.760 235.831 1.00 0.00 C +ATOM 33 CA LYS A 33 257.947 249.725 235.128 1.00 0.00 C +ATOM 34 CA VAL A 34 258.716 253.115 236.687 1.00 0.00 C +ATOM 35 CA ALA A 35 259.574 253.485 240.381 1.00 0.00 C +ATOM 36 CA LYS A 36 260.417 250.045 241.785 1.00 0.00 C +ATOM 37 CA LYS A 37 262.122 250.425 245.171 1.00 0.00 C +ATOM 38 CA ALA A 38 265.806 249.458 245.231 1.00 0.00 C +ATOM 39 CA THR A 39 269.213 249.174 243.549 1.00 0.00 C +ATOM 40 CA LYS A 40 270.630 247.851 240.269 1.00 0.00 C +ATOM 41 CA LYS A 41 270.852 248.527 236.527 1.00 0.00 C +ATOM 42 CA ALA A 42 267.314 248.137 235.168 1.00 0.00 C +ATOM 43 CA ALA A 43 265.426 250.900 233.345 1.00 0.00 C +ATOM 44 CA LYS A 44 262.602 249.906 230.989 1.00 0.00 C +ATOM 45 CA LYS A 45 262.604 251.900 227.742 1.00 0.00 C +TER 46 LYS A 45 +END diff --git a/Bacteria/Q07LC1/Q07LC1.dcd b/Bacteria/Q07LC1/Q07LC1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..fa577f81ee9a2c5da0dd58447b41dbec64ad3077 --- /dev/null +++ b/Bacteria/Q07LC1/Q07LC1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cc7c9adef542cc53273a35bb86a869f5b42b8c63375acc324275b6e6da15ee82 +size 4520276 diff --git a/Bacteria/Q07LC1/top.pdb b/Bacteria/Q07LC1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..826d1077806e1099cad833b542001cf8de8e864d --- /dev/null +++ b/Bacteria/Q07LC1/top.pdb @@ -0,0 +1,35 @@ +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 1 246.360 254.889 259.898 1.00 0.00 C +ATOM 2 CA ARG A 2 245.917 251.287 261.057 1.00 0.00 C +ATOM 3 CA GLU A 3 246.424 247.672 259.964 1.00 0.00 C +ATOM 4 CA MET A 4 246.482 244.055 258.769 1.00 0.00 C +ATOM 5 CA ASP A 5 244.109 241.080 258.967 1.00 0.00 C +ATOM 6 CA ALA A 6 242.662 240.198 255.554 1.00 0.00 C +ATOM 7 CA LEU A 7 240.692 240.878 252.365 1.00 0.00 C +ATOM 8 CA THR A 8 240.781 239.216 248.938 1.00 0.00 C +ATOM 9 CA PRO A 9 241.928 239.246 245.305 1.00 0.00 C +ATOM 10 CA GLU A 10 245.669 239.256 244.587 1.00 0.00 C +ATOM 11 CA VAL A 11 246.991 242.647 243.459 1.00 0.00 C +ATOM 12 CA ILE A 12 250.018 243.312 245.675 1.00 0.00 C +ATOM 13 CA ASP A 13 253.482 242.645 247.115 1.00 0.00 C +ATOM 14 CA VAL A 14 256.069 240.745 245.061 1.00 0.00 C +ATOM 15 CA HIS A 15 258.495 243.084 243.284 1.00 0.00 C +ATOM 16 CA THR A 16 260.043 245.640 245.648 1.00 0.00 C +ATOM 17 CA GLY A 17 259.614 249.402 245.225 1.00 0.00 C +ATOM 18 CA PRO A 18 260.228 252.391 247.506 1.00 0.00 C +ATOM 19 CA HIS A 19 258.757 255.396 245.683 1.00 0.00 C +ATOM 20 CA PRO A 20 255.496 256.756 247.108 1.00 0.00 C +ATOM 21 CA ALA A 21 252.647 254.572 245.831 1.00 0.00 C +ATOM 22 CA GLY A 22 249.195 255.576 244.566 1.00 0.00 C +ATOM 23 CA SER A 23 246.167 254.892 242.357 1.00 0.00 C +ATOM 24 CA ILE A 24 243.121 255.479 244.569 1.00 0.00 C +ATOM 25 CA THR A 25 244.334 256.935 247.875 1.00 0.00 C +ATOM 26 CA HIS A 26 246.824 256.782 250.754 1.00 0.00 C +ATOM 27 CA ARG A 27 250.534 256.986 251.595 1.00 0.00 C +ATOM 28 CA HIS A 28 251.835 258.965 254.580 1.00 0.00 C +ATOM 29 CA ALA A 29 255.114 260.497 253.390 1.00 0.00 C +ATOM 30 CA ALA A 30 255.948 263.401 255.710 1.00 0.00 C +ATOM 31 CA LEU A 31 254.065 266.118 257.605 1.00 0.00 C +TER 32 LEU A 31 +END diff --git a/Bacteria/Q07NS5/Q07NS5.dcd b/Bacteria/Q07NS5/Q07NS5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b03a16182a1f8c2fe56c0f7688c212ee8d49d324 --- /dev/null +++ b/Bacteria/Q07NS5/Q07NS5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2b1f7c1cc8daa793b055291a693744d141127e5b301081d19b067c23b53c97a9 +size 9560276 diff --git a/Bacteria/Q07NS5/top.pdb b/Bacteria/Q07NS5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8b690430efa4414b429ea4bdcac8809777e99748 --- /dev/null +++ b/Bacteria/Q07NS5/top.pdb @@ -0,0 +1,77 @@ +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 1 249.522 255.561 251.244 1.00 0.00 C +ATOM 2 CA SER A 2 252.407 253.102 250.861 1.00 0.00 C +ATOM 3 CA LYS A 3 254.035 249.735 250.135 1.00 0.00 C +ATOM 4 CA ARG A 4 257.282 248.372 251.590 1.00 0.00 C +ATOM 5 CA ILE A 5 258.695 245.957 254.177 1.00 0.00 C +ATOM 6 CA HIS A 6 260.661 243.155 255.850 1.00 0.00 C +ATOM 7 CA VAL A 7 261.570 242.252 259.438 1.00 0.00 C +ATOM 8 CA VAL A 8 263.755 241.324 262.418 1.00 0.00 C +ATOM 9 CA PRO A 9 265.589 244.221 264.080 1.00 0.00 C +ATOM 10 CA HIS A 10 268.958 245.755 264.984 1.00 0.00 C +ATOM 11 CA ASP A 11 271.943 247.528 263.416 1.00 0.00 C +ATOM 12 CA SER A 12 274.603 250.073 262.435 1.00 0.00 C +ATOM 13 CA GLY A 13 276.652 251.992 259.859 1.00 0.00 C +ATOM 14 CA TRP A 14 278.658 255.181 259.289 1.00 0.00 C +ATOM 15 CA ALA A 15 281.769 254.493 257.200 1.00 0.00 C +ATOM 16 CA THR A 16 283.079 250.990 256.471 1.00 0.00 C +ATOM 17 CA ARG A 17 284.383 247.706 257.893 1.00 0.00 C +ATOM 18 CA ARG A 18 284.912 244.963 255.301 1.00 0.00 C +ATOM 19 CA GLU A 19 284.989 241.326 254.171 1.00 0.00 C +ATOM 20 CA GLY A 20 283.191 238.459 255.921 1.00 0.00 C +ATOM 21 CA ALA A 21 279.600 238.444 257.194 1.00 0.00 C +ATOM 22 CA SER A 22 276.046 237.726 258.362 1.00 0.00 C +ATOM 23 CA ARG A 23 273.995 235.067 256.562 1.00 0.00 C +ATOM 24 CA VAL A 24 271.599 236.661 254.065 1.00 0.00 C +ATOM 25 CA GLY A 25 271.442 238.921 251.001 1.00 0.00 C +ATOM 26 CA THR A 26 270.803 239.764 247.341 1.00 0.00 C +ATOM 27 CA THR A 27 268.693 239.314 244.201 1.00 0.00 C +ATOM 28 CA HIS A 28 265.380 237.461 243.876 1.00 0.00 C +ATOM 29 CA GLY A 29 264.155 236.805 247.424 1.00 0.00 C +ATOM 30 CA THR A 30 260.863 235.491 248.821 1.00 0.00 C +ATOM 31 CA GLN A 31 258.208 236.008 246.139 1.00 0.00 C +ATOM 32 CA ALA A 32 258.791 238.297 243.149 1.00 0.00 C +ATOM 33 CA GLN A 33 259.913 241.662 241.759 1.00 0.00 C +ATOM 34 CA ALA A 34 259.861 242.941 238.170 1.00 0.00 C +ATOM 35 CA THR A 35 261.641 240.830 235.545 1.00 0.00 C +ATOM 36 CA GLU A 36 261.965 237.542 233.647 1.00 0.00 C +ATOM 37 CA SER A 37 259.948 236.369 230.636 1.00 0.00 C +ATOM 38 CA ALA A 38 258.971 238.686 227.774 1.00 0.00 C +ATOM 39 CA ARG A 39 256.064 241.149 227.820 1.00 0.00 C +ATOM 40 CA ASN A 40 253.100 242.310 229.914 1.00 0.00 C +ATOM 41 CA THR A 41 249.359 242.580 229.248 1.00 0.00 C +ATOM 42 CA ALA A 42 248.509 246.162 230.229 1.00 0.00 C +ATOM 43 CA ILE A 43 245.744 247.379 232.551 1.00 0.00 C +ATOM 44 CA ARG A 44 244.450 250.153 234.819 1.00 0.00 C +ATOM 45 CA GLU A 45 244.748 251.927 238.178 1.00 0.00 C +ATOM 46 CA ARG A 46 244.111 254.076 241.259 1.00 0.00 C +ATOM 47 CA GLY A 47 244.689 252.315 244.588 1.00 0.00 C +ATOM 48 CA GLU A 48 241.839 251.956 247.090 1.00 0.00 C +ATOM 49 CA VAL A 49 238.599 250.176 246.169 1.00 0.00 C +ATOM 50 CA VAL A 50 234.821 249.685 246.083 1.00 0.00 C +ATOM 51 CA VAL A 51 233.832 250.573 242.513 1.00 0.00 C +ATOM 52 CA HIS A 52 230.500 249.020 241.512 1.00 0.00 C +ATOM 53 CA ARG A 53 230.105 249.275 237.731 1.00 0.00 C +ATOM 54 CA PRO A 54 228.778 252.293 235.821 1.00 0.00 C +ATOM 55 CA ASP A 55 227.842 255.866 236.754 1.00 0.00 C +ATOM 56 CA GLY A 56 229.631 257.146 239.865 1.00 0.00 C +ATOM 57 CA ARG A 57 230.317 255.529 243.246 1.00 0.00 C +ATOM 58 CA ILE A 58 230.718 257.060 246.711 1.00 0.00 C +ATOM 59 CA ARG A 59 229.681 257.303 250.370 1.00 0.00 C +ATOM 60 CA ASP A 60 227.486 260.353 251.001 1.00 0.00 C +ATOM 61 CA ALA A 61 225.929 263.830 251.010 1.00 0.00 C +ATOM 62 CA ASN A 62 223.474 265.092 253.637 1.00 0.00 C +ATOM 63 CA SER A 63 221.923 268.214 252.100 1.00 0.00 C +ATOM 64 CA TYR A 64 219.392 269.960 254.349 1.00 0.00 C +ATOM 65 CA GLY A 65 218.913 270.388 258.105 1.00 0.00 C +ATOM 66 CA ASN A 66 217.178 269.835 261.451 1.00 0.00 C +ATOM 67 CA ASP A 67 215.836 271.824 264.411 1.00 0.00 C +ATOM 68 CA PRO A 68 213.544 270.927 267.319 1.00 0.00 C +ATOM 69 CA PHE A 69 212.605 271.722 270.925 1.00 0.00 C +ATOM 70 CA PRO A 70 213.746 269.738 273.972 1.00 0.00 C +ATOM 71 CA PRO A 71 215.791 266.681 274.964 1.00 0.00 C +ATOM 72 CA LYS A 72 214.857 263.767 272.694 1.00 0.00 C +ATOM 73 CA GLY A 73 213.363 263.601 269.193 1.00 0.00 C +TER 74 GLY A 73 +END diff --git a/Bacteria/Q07PP7/Q07PP7.dcd b/Bacteria/Q07PP7/Q07PP7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..fecc23f37a22b6f626ce022d684accf7f6b0f0f2 --- /dev/null +++ b/Bacteria/Q07PP7/Q07PP7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:78aa1808128bf8b90dfcf536abd99e67f402fcae55005d2d62117dca80841152 +size 8120276 diff --git a/Bacteria/Q07PP7/top.pdb b/Bacteria/Q07PP7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..35a3dc887b10a0ec237ae580a57767064dda772b --- /dev/null +++ b/Bacteria/Q07PP7/top.pdb @@ -0,0 +1,65 @@ +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 1 281.237 267.114 219.848 1.00 0.00 C +ATOM 2 CA GLY A 2 277.939 267.083 221.754 1.00 0.00 C +ATOM 3 CA ASP A 3 274.262 266.147 221.401 1.00 0.00 C +ATOM 4 CA LEU A 4 270.671 266.714 222.540 1.00 0.00 C +ATOM 5 CA ILE A 5 269.494 264.840 225.641 1.00 0.00 C +ATOM 6 CA SER A 6 268.887 261.084 225.837 1.00 0.00 C +ATOM 7 CA LEU A 7 266.569 258.345 227.120 1.00 0.00 C +ATOM 8 CA ASN A 8 263.773 260.021 229.091 1.00 0.00 C +ATOM 9 CA ARG A 9 259.993 259.782 228.681 1.00 0.00 C +ATOM 10 CA SER A 10 258.555 257.943 231.692 1.00 0.00 C +ATOM 11 CA LYS A 11 259.387 255.130 234.125 1.00 0.00 C +ATOM 12 CA LYS A 12 256.291 254.469 236.245 1.00 0.00 C +ATOM 13 CA ARG A 13 256.833 255.915 239.729 1.00 0.00 C +ATOM 14 CA VAL A 14 256.082 255.541 243.445 1.00 0.00 C +ATOM 15 CA GLU A 15 253.993 258.176 245.237 1.00 0.00 C +ATOM 16 CA ARG A 16 255.800 260.438 247.714 1.00 0.00 C +ATOM 17 CA LYS A 17 254.526 260.361 251.303 1.00 0.00 C +ATOM 18 CA GLU A 18 251.006 260.352 252.761 1.00 0.00 C +ATOM 19 CA ALA A 19 247.862 262.201 251.659 1.00 0.00 C +ATOM 20 CA ALA A 20 244.905 259.952 250.813 1.00 0.00 C +ATOM 21 CA SER A 21 241.282 258.921 250.241 1.00 0.00 C +ATOM 22 CA GLN A 22 240.767 256.038 247.804 1.00 0.00 C +ATOM 23 CA ALA A 23 241.846 253.074 245.667 1.00 0.00 C +ATOM 24 CA GLU A 24 243.759 251.972 242.562 1.00 0.00 C +ATOM 25 CA THR A 25 247.528 251.927 243.117 1.00 0.00 C +ATOM 26 CA ASN A 26 249.560 251.012 246.208 1.00 0.00 C +ATOM 27 CA ARG A 27 248.282 247.615 247.367 1.00 0.00 C +ATOM 28 CA ALA A 28 245.741 248.051 250.172 1.00 0.00 C +ATOM 29 CA ARG A 29 242.380 247.508 248.462 1.00 0.00 C +ATOM 30 CA PHE A 30 241.126 243.941 247.990 1.00 0.00 C +ATOM 31 CA GLY A 31 239.251 240.879 249.263 1.00 0.00 C +ATOM 32 CA ARG A 32 239.238 238.176 246.578 1.00 0.00 C +ATOM 33 CA THR A 33 240.448 234.738 245.469 1.00 0.00 C +ATOM 34 CA LYS A 34 240.742 231.595 247.603 1.00 0.00 C +ATOM 35 CA LEU A 35 240.865 228.729 250.111 1.00 0.00 C +ATOM 36 CA GLU A 36 242.946 229.019 253.289 1.00 0.00 C +ATOM 37 CA ARG A 37 246.510 229.845 252.225 1.00 0.00 C +ATOM 38 CA ALA A 38 248.162 232.933 253.725 1.00 0.00 C +ATOM 39 CA ARG A 39 247.272 236.607 254.198 1.00 0.00 C +ATOM 40 CA ASP A 40 245.450 236.831 257.537 1.00 0.00 C +ATOM 41 CA GLU A 41 245.679 240.111 259.462 1.00 0.00 C +ATOM 42 CA HIS A 42 246.063 239.595 263.217 1.00 0.00 C +ATOM 43 CA ARG A 43 245.545 235.881 263.892 1.00 0.00 C +ATOM 44 CA THR A 44 248.700 233.935 264.771 1.00 0.00 C +ATOM 45 CA LYS A 45 250.593 235.883 267.444 1.00 0.00 C +ATOM 46 CA ARG A 46 249.437 238.737 269.687 1.00 0.00 C +ATOM 47 CA ALA A 47 246.593 240.699 271.293 1.00 0.00 C +ATOM 48 CA LYS A 48 247.509 244.318 272.054 1.00 0.00 C +ATOM 49 CA GLU A 49 245.167 247.269 272.619 1.00 0.00 C +ATOM 50 CA LEU A 50 247.379 250.370 272.529 1.00 0.00 C +ATOM 51 CA LEU A 51 245.839 253.239 270.551 1.00 0.00 C +ATOM 52 CA ASP A 52 245.504 254.823 267.102 1.00 0.00 C +ATOM 53 CA GLN A 53 246.732 258.095 265.585 1.00 0.00 C +ATOM 54 CA HIS A 54 246.902 259.349 261.991 1.00 0.00 C +ATOM 55 CA ARG A 55 244.110 259.630 259.414 1.00 0.00 C +ATOM 56 CA ILE A 56 241.560 256.805 259.596 1.00 0.00 C +ATOM 57 CA ALA A 57 242.173 253.401 257.998 1.00 0.00 C +ATOM 58 CA GLY A 58 244.176 250.303 258.949 1.00 0.00 C +ATOM 59 CA ASP A 59 241.918 247.358 259.812 1.00 0.00 C +ATOM 60 CA ALA A 60 238.903 246.082 261.760 1.00 0.00 C +ATOM 61 CA SER A 61 238.299 243.098 264.050 1.00 0.00 C +TER 62 SER A 61 +END diff --git a/Bacteria/Q07Q23/Q07Q23.dcd b/Bacteria/Q07Q23/Q07Q23.dcd new file mode 100644 index 0000000000000000000000000000000000000000..1fafc67914b2c280136011c377b604239de3737c --- /dev/null +++ b/Bacteria/Q07Q23/Q07Q23.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5de6963721c601aabc1113639aa1824fd271cbb408e338132d07780417f91a58 +size 6080276 diff --git a/Bacteria/Q07Q23/top.pdb b/Bacteria/Q07Q23/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..98331ab4de4265c1d1e77932cbf5046d5bfa3299 --- /dev/null +++ b/Bacteria/Q07Q23/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 MET A 1 246.879 230.392 256.047 1.00 0.00 C +ATOM 2 CA ALA A 2 250.590 230.025 255.265 1.00 0.00 C +ATOM 3 CA LYS A 3 252.169 227.713 257.850 1.00 0.00 C +ATOM 4 CA GLY A 4 252.931 229.193 261.277 1.00 0.00 C +ATOM 5 CA GLU A 5 253.711 232.427 263.134 1.00 0.00 C +ATOM 6 CA GLN A 6 257.209 233.398 261.977 1.00 0.00 C +ATOM 7 CA LYS A 7 257.863 236.373 259.688 1.00 0.00 C +ATOM 8 CA SER A 8 255.853 239.597 259.407 1.00 0.00 C +ATOM 9 CA ASN A 9 256.305 243.361 259.788 1.00 0.00 C +ATOM 10 CA ARG A 10 255.501 245.031 256.459 1.00 0.00 C +ATOM 11 CA GLU A 11 252.630 243.300 254.649 1.00 0.00 C +ATOM 12 CA ALA A 12 250.033 241.849 257.029 1.00 0.00 C +ATOM 13 CA LYS A 13 247.463 244.021 258.816 1.00 0.00 C +ATOM 14 CA LYS A 14 247.613 246.752 261.469 1.00 0.00 C +ATOM 15 CA PRO A 15 250.133 248.101 263.987 1.00 0.00 C +ATOM 16 CA LYS A 16 250.422 251.854 264.583 1.00 0.00 C +ATOM 17 CA LYS A 17 250.164 255.652 264.732 1.00 0.00 C +ATOM 18 CA ASP A 18 247.153 256.486 266.912 1.00 0.00 C +ATOM 19 CA LYS A 19 244.503 258.254 269.003 1.00 0.00 C +ATOM 20 CA ILE A 20 242.059 261.032 269.910 1.00 0.00 C +ATOM 21 CA LYS A 21 241.313 262.989 266.727 1.00 0.00 C +ATOM 22 CA THR A 22 242.305 261.028 263.615 1.00 0.00 C +ATOM 23 CA SER A 23 242.537 260.353 259.872 1.00 0.00 C +ATOM 24 CA ALA A 24 245.440 262.446 258.565 1.00 0.00 C +ATOM 25 CA ALA A 25 244.870 262.947 254.831 1.00 0.00 C +ATOM 26 CA ALA A 26 247.993 263.321 252.682 1.00 0.00 C +ATOM 27 CA PRO A 27 249.726 260.157 251.458 1.00 0.00 C +ATOM 28 CA SER A 28 252.493 258.754 253.671 1.00 0.00 C +ATOM 29 CA GLN A 29 254.743 256.027 252.251 1.00 0.00 C +ATOM 30 CA LYS A 30 256.388 253.717 249.706 1.00 0.00 C +ATOM 31 CA PRO A 31 255.912 252.182 246.252 1.00 0.00 C +ATOM 32 CA GLY A 32 255.646 255.125 243.847 1.00 0.00 C +ATOM 33 CA GLY A 33 256.351 254.893 240.110 1.00 0.00 C +ATOM 34 CA TRP A 34 254.722 254.843 236.666 1.00 0.00 C +ATOM 35 CA GLN A 35 252.953 251.514 236.112 1.00 0.00 C +ATOM 36 CA PRO A 36 253.759 249.876 232.768 1.00 0.00 C +ATOM 37 CA ASN A 37 252.741 248.017 229.602 1.00 0.00 C +ATOM 38 CA ILE A 38 249.064 248.505 228.731 1.00 0.00 C +ATOM 39 CA ASP A 39 248.087 250.260 225.494 1.00 0.00 C +ATOM 40 CA THR A 40 245.425 252.613 224.117 1.00 0.00 C +ATOM 41 CA GLY A 41 242.878 253.254 221.357 1.00 0.00 C +ATOM 42 CA LYS A 42 242.936 255.226 218.097 1.00 0.00 C +ATOM 43 CA LYS A 43 245.112 256.713 215.346 1.00 0.00 C +ATOM 44 CA LYS A 44 245.422 260.426 216.138 1.00 0.00 C +TER 45 LYS A 44 +END diff --git a/Bacteria/Q07RC0/Q07RC0.dcd b/Bacteria/Q07RC0/Q07RC0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..291736b633c16baa468d291ddb9901d89a30fd9d --- /dev/null +++ b/Bacteria/Q07RC0/Q07RC0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2c32ae1f505ad8d4b0dce08c633c9b127f889802a9be369596e5d6655ab57b89 +size 9560276 diff --git a/Bacteria/Q07RC0/top.pdb b/Bacteria/Q07RC0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..fb6807e33d184390c02cd748a7eeaeb626d11d83 --- /dev/null +++ b/Bacteria/Q07RC0/top.pdb @@ -0,0 +1,77 @@ +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 1 237.965 238.949 264.076 1.00 0.00 C +ATOM 2 CA MET A 2 239.220 242.332 265.299 1.00 0.00 C +ATOM 3 CA SER A 3 239.195 244.980 268.038 1.00 0.00 C +ATOM 4 CA VAL A 4 241.817 247.708 267.583 1.00 0.00 C +ATOM 5 CA SER A 5 244.366 250.255 266.346 1.00 0.00 C +ATOM 6 CA SER A 6 246.185 251.594 269.414 1.00 0.00 C +ATOM 7 CA VAL A 7 248.169 254.648 270.533 1.00 0.00 C +ATOM 8 CA THR A 8 246.768 258.036 269.495 1.00 0.00 C +ATOM 9 CA ALA A 9 244.625 259.008 266.499 1.00 0.00 C +ATOM 10 CA SER A 10 240.875 259.676 266.597 1.00 0.00 C +ATOM 11 CA PRO A 11 240.414 263.458 266.623 1.00 0.00 C +ATOM 12 CA SER A 12 238.578 266.497 268.002 1.00 0.00 C +ATOM 13 CA PRO A 13 237.633 267.351 271.593 1.00 0.00 C +ATOM 14 CA PRO A 14 234.349 266.472 273.314 1.00 0.00 C +ATOM 15 CA PRO A 15 230.573 266.046 273.043 1.00 0.00 C +ATOM 16 CA PRO A 16 227.369 265.832 275.094 1.00 0.00 C +ATOM 17 CA PRO A 17 224.607 263.214 275.263 1.00 0.00 C +ATOM 18 CA PRO A 18 224.929 259.473 275.910 1.00 0.00 C +ATOM 19 CA PRO A 19 227.961 257.929 274.195 1.00 0.00 C +ATOM 20 CA ALA A 20 230.008 256.955 271.133 1.00 0.00 C +ATOM 21 CA LYS A 21 231.332 254.286 268.759 1.00 0.00 C +ATOM 22 CA PRO A 22 231.820 255.212 265.095 1.00 0.00 C +ATOM 23 CA PRO A 23 233.246 258.538 263.904 1.00 0.00 C +ATOM 24 CA VAL A 24 233.976 259.214 260.226 1.00 0.00 C +ATOM 25 CA ASP A 25 237.219 257.679 258.946 1.00 0.00 C +ATOM 26 CA ALA A 26 238.284 254.030 259.206 1.00 0.00 C +ATOM 27 CA LYS A 27 236.319 251.378 257.304 1.00 0.00 C +ATOM 28 CA ALA A 28 234.091 251.294 254.214 1.00 0.00 C +ATOM 29 CA GLU A 29 230.376 250.526 253.863 1.00 0.00 C +ATOM 30 CA GLU A 30 229.795 249.578 250.219 1.00 0.00 C +ATOM 31 CA THR A 31 228.652 247.531 247.215 1.00 0.00 C +ATOM 32 CA ASN A 32 228.449 246.852 243.471 1.00 0.00 C +ATOM 33 CA VAL A 33 227.944 243.169 242.638 1.00 0.00 C +ATOM 34 CA ASN A 34 228.775 240.846 245.542 1.00 0.00 C +ATOM 35 CA ALA A 35 231.836 241.562 247.695 1.00 0.00 C +ATOM 36 CA VAL A 36 234.823 243.611 248.877 1.00 0.00 C +ATOM 37 CA GLN A 37 238.301 244.065 247.390 1.00 0.00 C +ATOM 38 CA ALA A 38 241.227 246.411 248.061 1.00 0.00 C +ATOM 39 CA LYS A 39 239.833 249.729 249.313 1.00 0.00 C +ATOM 40 CA ASP A 40 242.116 252.393 247.829 1.00 0.00 C +ATOM 41 CA ASP A 41 245.286 254.224 248.885 1.00 0.00 C +ATOM 42 CA ALA A 42 248.392 256.400 249.255 1.00 0.00 C +ATOM 43 CA GLU A 43 251.752 256.871 247.522 1.00 0.00 C +ATOM 44 CA ALA A 44 252.556 256.301 243.842 1.00 0.00 C +ATOM 45 CA LYS A 45 253.449 253.060 242.048 1.00 0.00 C +ATOM 46 CA THR A 46 254.259 253.499 238.351 1.00 0.00 C +ATOM 47 CA SER A 47 252.225 250.893 236.457 1.00 0.00 C +ATOM 48 CA ALA A 48 251.225 247.220 236.316 1.00 0.00 C +ATOM 49 CA THR A 49 253.736 244.745 237.761 1.00 0.00 C +ATOM 50 CA GLU A 50 256.368 243.845 235.158 1.00 0.00 C +ATOM 51 CA ASN A 51 259.753 244.291 233.467 1.00 0.00 C +ATOM 52 CA SER A 52 262.072 241.305 232.992 1.00 0.00 C +ATOM 53 CA SER A 53 265.102 239.632 231.400 1.00 0.00 C +ATOM 54 CA GLN A 54 267.875 241.828 229.984 1.00 0.00 C +ATOM 55 CA ALA A 55 271.324 240.591 228.941 1.00 0.00 C +ATOM 56 CA SER A 56 270.811 237.190 227.302 1.00 0.00 C +ATOM 57 CA PRO A 57 273.006 234.690 229.159 1.00 0.00 C +ATOM 58 CA LYS A 58 273.738 233.601 232.736 1.00 0.00 C +ATOM 59 CA ALA A 59 274.690 236.414 235.124 1.00 0.00 C +ATOM 60 CA PRO A 60 276.657 236.543 238.384 1.00 0.00 C +ATOM 61 CA LEU A 61 275.439 237.952 241.708 1.00 0.00 C +ATOM 62 CA PRO A 62 277.245 239.868 244.462 1.00 0.00 C +ATOM 63 CA PRO A 63 279.873 242.466 245.388 1.00 0.00 C +ATOM 64 CA GLY A 64 280.635 244.255 242.111 1.00 0.00 C +ATOM 65 CA GLN A 65 283.476 245.473 239.883 1.00 0.00 C +ATOM 66 CA GLY A 66 283.951 249.233 239.495 1.00 0.00 C +ATOM 67 CA THR A 67 281.452 251.206 237.402 1.00 0.00 C +ATOM 68 CA ARG A 68 280.292 250.278 233.894 1.00 0.00 C +ATOM 69 CA VAL A 69 278.611 250.598 230.490 1.00 0.00 C +ATOM 70 CA ASP A 70 274.959 249.713 229.864 1.00 0.00 C +ATOM 71 CA ILE A 71 273.259 251.143 226.769 1.00 0.00 C +ATOM 72 CA ILE A 72 272.121 249.771 223.401 1.00 0.00 C +ATOM 73 CA ALA A 73 270.391 246.584 222.232 1.00 0.00 C +TER 74 ALA A 73 +END diff --git a/Bacteria/Q07UA2/Q07UA2.dcd b/Bacteria/Q07UA2/Q07UA2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..2ad41484094ed132b87c22bb992d8cb2da40092e --- /dev/null +++ b/Bacteria/Q07UA2/Q07UA2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:18e07707500cfb55829683d2504d25ba7a47beda9323abcfc5f70f4b5fe09db4 +size 8240276 diff --git a/Bacteria/Q07UA2/top.pdb b/Bacteria/Q07UA2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..82da5e3e0a23e1039697f02d36c711fb0cb28f99 --- /dev/null +++ b/Bacteria/Q07UA2/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 1 250.769 263.745 278.232 1.00 0.00 C +ATOM 2 CA PHE A 2 248.034 261.839 280.077 1.00 0.00 C +ATOM 3 CA GLY A 3 245.782 258.966 278.986 1.00 0.00 C +ATOM 4 CA LEU A 4 245.897 255.379 277.706 1.00 0.00 C +ATOM 5 CA LEU A 5 247.467 252.040 278.653 1.00 0.00 C +ATOM 6 CA GLY A 6 251.134 251.365 279.440 1.00 0.00 C +ATOM 7 CA LEU A 7 254.025 253.550 278.265 1.00 0.00 C +ATOM 8 CA GLN A 8 254.800 253.036 274.570 1.00 0.00 C +ATOM 9 CA PRO A 9 256.235 253.235 271.047 1.00 0.00 C +ATOM 10 CA ALA A 10 256.302 255.960 268.384 1.00 0.00 C +ATOM 11 CA GLY A 11 255.066 258.150 265.522 1.00 0.00 C +ATOM 12 CA GLY A 12 256.373 260.937 263.277 1.00 0.00 C +ATOM 13 CA LYS A 13 259.861 260.527 261.800 1.00 0.00 C +ATOM 14 CA ARG A 14 260.185 260.683 258.007 1.00 0.00 C +ATOM 15 CA LYS A 15 258.618 257.947 255.868 1.00 0.00 C +ATOM 16 CA PRO A 16 257.026 255.408 258.221 1.00 0.00 C +ATOM 17 CA VAL A 17 259.179 252.268 258.082 1.00 0.00 C +ATOM 18 CA ALA A 18 261.929 250.266 259.799 1.00 0.00 C +ATOM 19 CA PRO A 19 261.311 246.757 261.148 1.00 0.00 C +ATOM 20 CA PRO A 20 259.267 246.010 264.275 1.00 0.00 C +ATOM 21 CA THR A 21 255.951 244.168 263.917 1.00 0.00 C +ATOM 22 CA LYS A 22 252.319 244.350 265.055 1.00 0.00 C +ATOM 23 CA PRO A 23 251.507 241.143 266.945 1.00 0.00 C +ATOM 24 CA LYS A 24 253.971 238.242 266.759 1.00 0.00 C +ATOM 25 CA ALA A 25 257.615 238.408 267.857 1.00 0.00 C +ATOM 26 CA HIS A 26 260.717 238.883 265.696 1.00 0.00 C +ATOM 27 CA ASP A 27 262.832 237.644 262.780 1.00 0.00 C +ATOM 28 CA ASN A 28 260.774 235.236 260.662 1.00 0.00 C +ATOM 29 CA ALA A 29 261.869 232.888 257.869 1.00 0.00 C +ATOM 30 CA LYS A 30 261.739 232.215 254.121 1.00 0.00 C +ATOM 31 CA PRO A 31 263.819 234.631 252.035 1.00 0.00 C +ATOM 32 CA LYS A 32 261.542 237.170 250.336 1.00 0.00 C +ATOM 33 CA PRO A 33 259.016 237.470 247.499 1.00 0.00 C +ATOM 34 CA ALA A 34 257.036 235.908 244.643 1.00 0.00 C +ATOM 35 CA GLN A 35 253.340 236.271 243.794 1.00 0.00 C +ATOM 36 CA PRO A 36 251.361 233.718 241.774 1.00 0.00 C +ATOM 37 CA SER A 37 250.861 230.729 239.465 1.00 0.00 C +ATOM 38 CA SER A 38 247.202 230.785 238.401 1.00 0.00 C +ATOM 39 CA ASP A 39 246.912 232.254 234.897 1.00 0.00 C +ATOM 40 CA ASP A 40 247.303 234.251 231.676 1.00 0.00 C +ATOM 41 CA GLU A 41 247.494 236.988 229.032 1.00 0.00 C +ATOM 42 CA LEU A 42 246.074 240.523 229.035 1.00 0.00 C +ATOM 43 CA TYR A 43 247.681 243.740 227.776 1.00 0.00 C +ATOM 44 CA SER A 44 245.886 246.363 225.675 1.00 0.00 C +ATOM 45 CA SER A 45 245.858 248.070 222.268 1.00 0.00 C +ATOM 46 CA GLY A 46 243.261 248.998 219.639 1.00 0.00 C +ATOM 47 CA ASP A 47 239.806 250.003 218.386 1.00 0.00 C +ATOM 48 CA ILE A 48 237.967 252.170 220.923 1.00 0.00 C +ATOM 49 CA CYS A 49 239.006 254.186 223.985 1.00 0.00 C +ATOM 50 CA ALA A 50 237.147 256.120 226.690 1.00 0.00 C +ATOM 51 CA PRO A 51 235.518 253.475 228.896 1.00 0.00 C +ATOM 52 CA GLU A 52 237.422 253.218 232.187 1.00 0.00 C +ATOM 53 CA PRO A 53 239.415 255.397 234.594 1.00 0.00 C +ATOM 54 CA ASP A 54 241.950 257.482 236.529 1.00 0.00 C +ATOM 55 CA ARG A 55 240.982 261.160 236.309 1.00 0.00 C +ATOM 56 CA ASP A 56 239.638 264.713 236.019 1.00 0.00 C +ATOM 57 CA ASP A 57 236.797 266.865 234.672 1.00 0.00 C +ATOM 58 CA GLU A 58 236.229 270.138 236.537 1.00 0.00 C +ATOM 59 CA GLN A 59 239.026 272.709 236.831 1.00 0.00 C +ATOM 60 CA ARG A 60 238.321 276.439 237.161 1.00 0.00 C +ATOM 61 CA ASP A 61 235.324 277.322 239.341 1.00 0.00 C +ATOM 62 CA LEU A 62 232.254 279.487 239.975 1.00 0.00 C +TER 63 LEU A 62 +END diff --git a/Bacteria/Q07UA9/Q07UA9.dcd b/Bacteria/Q07UA9/Q07UA9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c27ccb9dd7a60ffad0fb9bde0d778fc34440b7fc --- /dev/null +++ b/Bacteria/Q07UA9/Q07UA9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:25c04ad8221e7dc6ca55c5386916a758172b310b458759fdc2ddd70a43e81093 +size 10520276 diff --git a/Bacteria/Q07UA9/top.pdb b/Bacteria/Q07UA9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5a1c5bdabe882f14769e44d4d3af64a9df4e2774 --- /dev/null +++ b/Bacteria/Q07UA9/top.pdb @@ -0,0 +1,85 @@ +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 1 201.212 270.713 232.782 1.00 0.00 C +ATOM 2 CA SER A 2 204.957 271.329 232.448 1.00 0.00 C +ATOM 3 CA THR A 3 208.340 270.082 233.680 1.00 0.00 C +ATOM 4 CA GLU A 4 209.316 267.299 236.092 1.00 0.00 C +ATOM 5 CA PRO A 5 206.851 264.891 237.719 1.00 0.00 C +ATOM 6 CA ASN A 6 207.398 263.390 241.178 1.00 0.00 C +ATOM 7 CA GLN A 7 210.391 262.162 243.191 1.00 0.00 C +ATOM 8 CA GLU A 8 209.319 261.794 246.828 1.00 0.00 C +ATOM 9 CA PRO A 9 208.625 259.868 250.042 1.00 0.00 C +ATOM 10 CA PRO A 10 206.176 257.046 250.789 1.00 0.00 C +ATOM 11 CA ILE A 11 206.565 253.308 250.163 1.00 0.00 C +ATOM 12 CA GLN A 12 207.835 250.695 252.628 1.00 0.00 C +ATOM 13 CA GLU A 13 211.207 249.379 251.438 1.00 0.00 C +ATOM 14 CA PRO A 14 214.301 247.266 250.745 1.00 0.00 C +ATOM 15 CA VAL A 15 217.273 249.587 251.290 1.00 0.00 C +ATOM 16 CA GLU A 16 220.022 251.885 252.585 1.00 0.00 C +ATOM 17 CA ILE A 17 223.651 250.853 252.057 1.00 0.00 C +ATOM 18 CA PRO A 18 225.983 250.253 249.104 1.00 0.00 C +ATOM 19 CA PRO A 19 229.642 249.598 249.937 1.00 0.00 C +ATOM 20 CA ALA A 20 231.095 246.566 248.144 1.00 0.00 C +ATOM 21 CA THR A 21 230.090 246.489 244.470 1.00 0.00 C +ATOM 22 CA PRO A 22 232.392 248.712 242.402 1.00 0.00 C +ATOM 23 CA GLY A 23 234.644 248.581 239.332 1.00 0.00 C +ATOM 24 CA THR A 24 237.867 246.595 238.903 1.00 0.00 C +ATOM 25 CA PRO A 25 236.830 243.536 236.882 1.00 0.00 C +ATOM 26 CA THR A 26 235.159 240.171 237.516 1.00 0.00 C +ATOM 27 CA GLU A 27 232.772 238.105 239.648 1.00 0.00 C +ATOM 28 CA PRO A 28 232.675 237.707 243.436 1.00 0.00 C +ATOM 29 CA PRO A 29 234.736 237.141 246.590 1.00 0.00 C +ATOM 30 CA LEU A 30 237.545 238.987 248.384 1.00 0.00 C +ATOM 31 CA GLU A 31 238.973 241.317 245.729 1.00 0.00 C +ATOM 32 CA GLN A 32 242.291 243.151 245.353 1.00 0.00 C +ATOM 33 CA PRO A 33 241.489 246.870 245.561 1.00 0.00 C +ATOM 34 CA PRO A 34 243.836 249.416 247.148 1.00 0.00 C +ATOM 35 CA GLY A 35 246.421 249.771 249.925 1.00 0.00 C +ATOM 36 CA ASN A 36 246.418 246.366 251.636 1.00 0.00 C +ATOM 37 CA PRO A 37 249.534 244.756 253.121 1.00 0.00 C +ATOM 38 CA GLN A 38 252.842 245.957 251.661 1.00 0.00 C +ATOM 39 CA PRO A 39 255.769 246.584 249.304 1.00 0.00 C +ATOM 40 CA ASP A 40 256.316 248.442 246.022 1.00 0.00 C +ATOM 41 CA VAL A 41 258.991 246.789 243.871 1.00 0.00 C +ATOM 42 CA PRO A 42 262.003 245.109 242.252 1.00 0.00 C +ATOM 43 CA PRO A 43 265.331 243.997 243.737 1.00 0.00 C +ATOM 44 CA PRO A 44 266.355 243.700 247.395 1.00 0.00 C +ATOM 45 CA MET A 45 264.689 243.822 250.819 1.00 0.00 C +ATOM 46 CA ARG A 46 262.504 240.833 251.719 1.00 0.00 C +ATOM 47 CA ASP A 47 261.776 237.859 249.451 1.00 0.00 C +ATOM 48 CA PRO A 48 263.521 238.008 246.068 1.00 0.00 C +ATOM 49 CA GLY A 49 267.299 237.515 246.110 1.00 0.00 C +ATOM 50 CA ALA A 50 268.691 234.007 245.591 1.00 0.00 C +ATOM 51 CA PRO A 51 272.375 233.042 245.480 1.00 0.00 C +ATOM 52 CA PRO A 52 275.209 235.017 247.086 1.00 0.00 C +ATOM 53 CA ARG A 53 277.813 237.596 248.126 1.00 0.00 C +ATOM 54 CA PRO A 54 278.828 241.254 247.794 1.00 0.00 C +ATOM 55 CA GLU A 55 280.808 243.187 250.414 1.00 0.00 C +ATOM 56 CA GLU A 56 278.358 245.129 252.592 1.00 0.00 C +ATOM 57 CA LEU A 57 280.124 246.104 255.824 1.00 0.00 C +ATOM 58 CA PRO A 58 280.909 249.466 257.435 1.00 0.00 C +ATOM 59 CA GLY A 59 283.843 249.441 259.866 1.00 0.00 C +ATOM 60 CA GLN A 60 283.869 247.582 263.192 1.00 0.00 C +ATOM 61 CA THR A 61 280.834 248.941 265.052 1.00 0.00 C +ATOM 62 CA PRO A 62 279.843 251.006 268.096 1.00 0.00 C +ATOM 63 CA ASP A 63 277.933 254.271 268.556 1.00 0.00 C +ATOM 64 CA GLU A 64 279.867 257.141 266.962 1.00 0.00 C +ATOM 65 CA VAL A 65 278.309 258.475 263.752 1.00 0.00 C +ATOM 66 CA PRO A 66 279.432 259.906 260.405 1.00 0.00 C +ATOM 67 CA VAL A 67 276.837 258.849 257.824 1.00 0.00 C +ATOM 68 CA ARG A 68 275.007 259.626 254.573 1.00 0.00 C +ATOM 69 CA GLY A 69 272.944 258.578 251.547 1.00 0.00 C +ATOM 70 CA PRO A 70 271.672 258.042 247.995 1.00 0.00 C +ATOM 71 CA GLN A 71 270.677 254.429 247.312 1.00 0.00 C +ATOM 72 CA GLY A 72 270.258 251.230 249.339 1.00 0.00 C +ATOM 73 CA PRO A 73 268.990 250.238 252.792 1.00 0.00 C +ATOM 74 CA ARG A 74 268.247 249.001 256.318 1.00 0.00 C +ATOM 75 CA THR A 75 269.349 251.623 258.853 1.00 0.00 C +ATOM 76 CA PRO A 76 266.713 252.077 261.566 1.00 0.00 C +ATOM 77 CA SER A 77 268.440 253.918 264.421 1.00 0.00 C +ATOM 78 CA PRO A 78 270.307 257.114 263.519 1.00 0.00 C +ATOM 79 CA ALA A 79 270.553 260.414 261.631 1.00 0.00 C +ATOM 80 CA THR A 80 272.251 263.263 259.757 1.00 0.00 C +ATOM 81 CA ASP A 81 269.481 265.780 259.044 1.00 0.00 C +TER 82 ASP A 81 +END diff --git a/Bacteria/Q088F7/Q088F7.dcd b/Bacteria/Q088F7/Q088F7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d8bd57bdb42d53c0ece908e8661d4f10a9253e89 --- /dev/null +++ b/Bacteria/Q088F7/Q088F7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:88ad5d3dba8adffcc04d0fa8b15fde9baebe6b5dbe1543793b00a85cda8fc203 +size 5600276 diff --git a/Bacteria/Q088F7/top.pdb b/Bacteria/Q088F7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2c50fa7f3268ac23ac5e52696548fc90cc7f0fa3 --- /dev/null +++ b/Bacteria/Q088F7/top.pdb @@ -0,0 +1,44 @@ +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 1 246.184 238.082 256.193 1.00 0.00 C +ATOM 2 CA SER A 2 245.162 238.806 252.594 1.00 0.00 C +ATOM 3 CA LYS A 3 245.763 240.470 249.220 1.00 0.00 C +ATOM 4 CA GLU A 4 243.225 243.308 249.075 1.00 0.00 C +ATOM 5 CA ARG A 5 240.547 244.467 246.626 1.00 0.00 C +ATOM 6 CA ASN A 6 239.613 245.719 243.151 1.00 0.00 C +ATOM 7 CA ASN A 7 239.781 249.107 241.417 1.00 0.00 C +ATOM 8 CA SER A 8 240.122 252.294 239.356 1.00 0.00 C +ATOM 9 CA LYS A 9 242.327 254.618 241.417 1.00 0.00 C +ATOM 10 CA GLU A 10 243.916 255.592 244.741 1.00 0.00 C +ATOM 11 CA ALA A 11 247.060 255.028 246.817 1.00 0.00 C +ATOM 12 CA LYS A 12 247.719 251.839 248.795 1.00 0.00 C +ATOM 13 CA LYS A 13 247.621 248.348 250.318 1.00 0.00 C +ATOM 14 CA LYS A 14 249.314 245.382 248.628 1.00 0.00 C +ATOM 15 CA PRO A 15 252.872 244.089 248.203 1.00 0.00 C +ATOM 16 CA ALA A 16 256.234 244.637 249.910 1.00 0.00 C +ATOM 17 CA LEU A 17 257.439 245.007 253.505 1.00 0.00 C +ATOM 18 CA SER A 18 254.882 246.104 256.108 1.00 0.00 C +ATOM 19 CA LEU A 19 251.270 245.043 255.525 1.00 0.00 C +ATOM 20 CA LYS A 20 248.077 245.873 257.430 1.00 0.00 C +ATOM 21 CA GLU A 21 244.537 245.356 256.119 1.00 0.00 C +ATOM 22 CA LYS A 22 241.384 246.889 254.629 1.00 0.00 C +ATOM 23 CA ARG A 23 240.058 250.323 255.613 1.00 0.00 C +ATOM 24 CA ALA A 24 241.386 252.143 258.685 1.00 0.00 C +ATOM 25 CA VAL A 25 244.466 254.169 259.649 1.00 0.00 C +ATOM 26 CA LYS A 26 247.692 256.107 259.059 1.00 0.00 C +ATOM 27 CA GLN A 27 249.951 255.151 256.144 1.00 0.00 C +ATOM 28 CA SER A 28 252.195 257.815 254.600 1.00 0.00 C +ATOM 29 CA LYS A 29 255.132 259.905 253.367 1.00 0.00 C +ATOM 30 CA ASN A 30 254.535 261.662 250.040 1.00 0.00 C +ATOM 31 CA SER A 31 253.143 260.487 246.693 1.00 0.00 C +ATOM 32 CA PRO A 32 254.536 258.997 243.475 1.00 0.00 C +ATOM 33 CA GLU A 33 252.504 255.995 242.303 1.00 0.00 C +ATOM 34 CA ASN A 34 254.885 253.032 242.564 1.00 0.00 C +ATOM 35 CA PHE A 35 254.548 250.427 245.324 1.00 0.00 C +ATOM 36 CA ALA A 36 258.107 249.919 246.585 1.00 0.00 C +ATOM 37 CA SER A 37 261.871 250.413 246.267 1.00 0.00 C +ATOM 38 CA LYS A 38 263.809 250.911 249.509 1.00 0.00 C +ATOM 39 CA ILE A 39 267.504 249.994 249.677 1.00 0.00 C +ATOM 40 CA LYS A 40 268.631 246.493 250.669 1.00 0.00 C +TER 41 LYS A 40 +END diff --git a/Bacteria/Q08JD0/Q08JD0.dcd b/Bacteria/Q08JD0/Q08JD0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..9dfec16234df33608624a1e374f98bb4664cd23c --- /dev/null +++ b/Bacteria/Q08JD0/Q08JD0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:81dc4ff83cf94c38ec9cd16e8e28d17f5a0b3272139a5746bcd4d76f9da5ccd1 +size 5600276 diff --git a/Bacteria/Q08JD0/top.pdb b/Bacteria/Q08JD0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2c624aea932306388efcf62f7cfc8049a4aa4b6b --- /dev/null +++ b/Bacteria/Q08JD0/top.pdb @@ -0,0 +1,44 @@ +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 1 246.163 228.446 251.791 1.00 0.00 C +ATOM 2 CA HIS A 2 246.798 232.063 252.809 1.00 0.00 C +ATOM 3 CA LEU A 3 250.468 232.656 253.643 1.00 0.00 C +ATOM 4 CA PRO A 4 253.902 232.872 255.280 1.00 0.00 C +ATOM 5 CA PRO A 5 257.329 233.211 253.652 1.00 0.00 C +ATOM 6 CA GLN A 6 260.520 233.759 255.661 1.00 0.00 C +ATOM 7 CA ALA A 7 263.819 235.656 255.490 1.00 0.00 C +ATOM 8 CA ALA A 8 265.097 236.969 252.149 1.00 0.00 C +ATOM 9 CA GLY A 9 265.697 240.506 250.867 1.00 0.00 C +ATOM 10 CA PRO A 10 267.672 242.647 253.323 1.00 0.00 C +ATOM 11 CA ASP A 11 269.880 245.128 251.455 1.00 0.00 C +ATOM 12 CA ARG A 12 269.541 244.660 247.689 1.00 0.00 C +ATOM 13 CA SER A 13 268.787 247.571 245.349 1.00 0.00 C +ATOM 14 CA HIS A 14 265.570 248.123 243.384 1.00 0.00 C +ATOM 15 CA PHE A 15 262.643 245.704 243.069 1.00 0.00 C +ATOM 16 CA SER A 16 259.066 244.416 242.833 1.00 0.00 C +ATOM 17 CA TYR A 17 257.293 244.484 246.205 1.00 0.00 C +ATOM 18 CA ASN A 18 255.693 245.541 249.497 1.00 0.00 C +ATOM 19 CA THR A 19 252.973 248.197 249.243 1.00 0.00 C +ATOM 20 CA GLN A 20 250.033 246.941 247.170 1.00 0.00 C +ATOM 21 CA LYS A 21 247.323 245.069 245.256 1.00 0.00 C +ATOM 22 CA GLN A 22 243.636 245.961 244.894 1.00 0.00 C +ATOM 23 CA PRO A 23 240.550 248.076 244.175 1.00 0.00 C +ATOM 24 CA PRO A 24 240.161 251.062 246.509 1.00 0.00 C +ATOM 25 CA GLU A 25 238.225 254.190 247.502 1.00 0.00 C +ATOM 26 CA LYS A 26 240.295 257.384 247.680 1.00 0.00 C +ATOM 27 CA PRO A 27 243.929 257.266 248.818 1.00 0.00 C +ATOM 28 CA ARG A 28 246.955 259.574 248.630 1.00 0.00 C +ATOM 29 CA SER A 29 249.666 261.847 250.044 1.00 0.00 C +ATOM 30 CA CYS A 30 251.167 264.663 252.125 1.00 0.00 C +ATOM 31 CA ALA A 31 248.686 265.596 254.862 1.00 0.00 C +ATOM 32 CA GLU A 32 245.003 265.938 255.776 1.00 0.00 C +ATOM 33 CA SER A 33 242.988 263.189 257.479 1.00 0.00 C +ATOM 34 CA LYS A 34 239.446 263.382 256.089 1.00 0.00 C +ATOM 35 CA PRO A 35 235.841 264.538 256.517 1.00 0.00 C +ATOM 36 CA GLN A 36 234.137 267.134 254.309 1.00 0.00 C +ATOM 37 CA SER A 37 231.966 266.417 251.261 1.00 0.00 C +ATOM 38 CA PRO A 38 230.787 266.240 247.643 1.00 0.00 C +ATOM 39 CA PRO A 39 230.292 263.338 245.224 1.00 0.00 C +ATOM 40 CA SER A 40 230.002 259.582 244.650 1.00 0.00 C +TER 41 SER A 40 +END diff --git a/Bacteria/Q08M48/Q08M48.dcd b/Bacteria/Q08M48/Q08M48.dcd new file mode 100644 index 0000000000000000000000000000000000000000..1bc756e06d2c96bcf10db62f0f527efa1dd9ad7a --- /dev/null +++ b/Bacteria/Q08M48/Q08M48.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5eb327ae203414952fc20dc3dc9e1b22208fc5a04f419f0e3f62f258f70c5df5 +size 12080276 diff --git a/Bacteria/Q08M48/top.pdb b/Bacteria/Q08M48/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a5bed3e70edb34c7af72491410864201833b9a94 --- /dev/null +++ b/Bacteria/Q08M48/top.pdb @@ -0,0 +1,98 @@ +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 1 291.510 250.914 269.709 1.00 0.00 C +ATOM 2 CA ALA A 2 293.716 248.010 268.607 1.00 0.00 C +ATOM 3 CA TRP A 3 294.943 245.179 266.371 1.00 0.00 C +ATOM 4 CA LYS A 4 296.575 242.310 264.468 1.00 0.00 C +ATOM 5 CA LEU A 5 295.380 239.688 261.976 1.00 0.00 C +ATOM 6 CA ALA A 6 293.833 236.206 261.965 1.00 0.00 C +ATOM 7 CA ARG A 7 290.493 234.392 261.705 1.00 0.00 C +ATOM 8 CA ARG A 8 287.317 233.298 259.906 1.00 0.00 C +ATOM 9 CA ARG A 9 284.117 231.781 258.501 1.00 0.00 C +ATOM 10 CA LEU A 10 285.023 229.591 255.518 1.00 0.00 C +ATOM 11 CA SER A 11 281.761 228.641 253.793 1.00 0.00 C +ATOM 12 CA LEU A 12 278.868 230.403 252.049 1.00 0.00 C +ATOM 13 CA SER A 13 275.389 231.956 252.008 1.00 0.00 C +ATOM 14 CA THR A 14 272.583 232.262 254.567 1.00 0.00 C +ATOM 15 CA GLY A 15 268.924 231.434 255.236 1.00 0.00 C +ATOM 16 CA THR A 16 265.348 230.310 255.918 1.00 0.00 C +ATOM 17 CA PRO A 17 262.909 231.355 253.184 1.00 0.00 C +ATOM 18 CA GLY A 18 259.703 232.438 251.434 1.00 0.00 C +ATOM 19 CA SER A 19 256.219 232.582 252.970 1.00 0.00 C +ATOM 20 CA GLU A 20 254.484 235.946 252.538 1.00 0.00 C +ATOM 21 CA VAL A 21 256.178 239.317 253.068 1.00 0.00 C +ATOM 22 CA SER A 22 254.949 241.972 255.509 1.00 0.00 C +ATOM 23 CA SER A 23 252.302 244.708 255.369 1.00 0.00 C +ATOM 24 CA ARG A 24 251.478 247.044 252.474 1.00 0.00 C +ATOM 25 CA VAL A 25 251.834 247.087 248.681 1.00 0.00 C +ATOM 26 CA SER A 26 254.494 248.864 246.612 1.00 0.00 C +ATOM 27 CA PRO A 27 255.154 250.346 243.165 1.00 0.00 C +ATOM 28 CA LYS A 28 253.785 252.565 240.387 1.00 0.00 C +ATOM 29 CA VAL A 29 251.220 254.565 238.402 1.00 0.00 C +ATOM 30 CA ALA A 30 251.261 258.056 236.878 1.00 0.00 C +ATOM 31 CA THR A 31 253.067 260.950 235.182 1.00 0.00 C +ATOM 32 CA MET A 32 255.600 260.685 232.347 1.00 0.00 C +ATOM 33 CA PRO A 33 255.613 262.876 229.231 1.00 0.00 C +ATOM 34 CA ALA A 34 255.447 266.629 229.865 1.00 0.00 C +ATOM 35 CA SER A 35 254.944 267.570 233.523 1.00 0.00 C +ATOM 36 CA ALA A 36 256.109 269.890 236.311 1.00 0.00 C +ATOM 37 CA VAL A 37 254.981 268.770 239.774 1.00 0.00 C +ATOM 38 CA THR A 38 253.597 268.366 243.300 1.00 0.00 C +ATOM 39 CA GLY A 39 251.259 267.674 246.228 1.00 0.00 C +ATOM 40 CA THR A 40 253.088 265.137 248.404 1.00 0.00 C +ATOM 41 CA VAL A 41 251.685 261.596 248.313 1.00 0.00 C +ATOM 42 CA VAL A 42 249.059 261.198 245.581 1.00 0.00 C +ATOM 43 CA PRO A 43 246.474 263.942 246.127 1.00 0.00 C +ATOM 44 CA SER A 44 246.751 265.234 249.701 1.00 0.00 C +ATOM 45 CA ALA A 45 243.431 265.079 251.563 1.00 0.00 C +ATOM 46 CA SER A 46 241.514 261.809 251.948 1.00 0.00 C +ATOM 47 CA GLU A 47 240.635 260.369 255.364 1.00 0.00 C +ATOM 48 CA GLU A 48 242.287 259.322 258.634 1.00 0.00 C +ATOM 49 CA PRO A 49 239.751 259.819 261.434 1.00 0.00 C +ATOM 50 CA SER A 50 240.590 262.037 264.416 1.00 0.00 C +ATOM 51 CA GLN A 51 244.222 263.073 263.911 1.00 0.00 C +ATOM 52 CA SER A 52 247.982 262.486 264.080 1.00 0.00 C +ATOM 53 CA ILE A 53 250.775 260.039 263.228 1.00 0.00 C +ATOM 54 CA ALA A 54 252.830 257.733 265.459 1.00 0.00 C +ATOM 55 CA GLU A 55 254.238 255.020 263.185 1.00 0.00 C +ATOM 56 CA PRO A 56 253.731 254.631 259.429 1.00 0.00 C +ATOM 57 CA THR A 57 251.120 252.028 258.467 1.00 0.00 C +ATOM 58 CA PRO A 58 248.609 249.172 258.688 1.00 0.00 C +ATOM 59 CA ASN A 59 245.410 248.485 256.735 1.00 0.00 C +ATOM 60 CA GLY A 60 243.848 250.926 254.262 1.00 0.00 C +ATOM 61 CA ARG A 61 246.593 253.387 253.301 1.00 0.00 C +ATOM 62 CA ARG A 62 246.353 254.484 249.660 1.00 0.00 C +ATOM 63 CA VAL A 63 244.254 254.615 246.483 1.00 0.00 C +ATOM 64 CA SER A 64 241.401 257.140 246.436 1.00 0.00 C +ATOM 65 CA TRP A 65 237.899 256.850 244.963 1.00 0.00 C +ATOM 66 CA ASN A 66 235.857 255.071 242.283 1.00 0.00 C +ATOM 67 CA THR A 67 232.279 254.796 241.006 1.00 0.00 C +ATOM 68 CA ARG A 68 230.924 251.644 239.347 1.00 0.00 C +ATOM 69 CA GLU A 69 227.246 252.425 238.734 1.00 0.00 C +ATOM 70 CA GLY A 70 224.834 254.893 237.119 1.00 0.00 C +ATOM 71 CA SER A 71 221.253 254.104 236.083 1.00 0.00 C +ATOM 72 CA ASN A 72 219.101 256.935 237.449 1.00 0.00 C +ATOM 73 CA SER A 73 218.301 257.314 241.155 1.00 0.00 C +ATOM 74 CA SER A 74 217.418 254.768 243.848 1.00 0.00 C +ATOM 75 CA GLY A 75 219.573 254.509 246.979 1.00 0.00 C +ATOM 76 CA ARG A 76 220.580 254.794 250.643 1.00 0.00 C +ATOM 77 CA VAL A 77 223.991 255.797 252.013 1.00 0.00 C +ATOM 78 CA SER A 78 226.821 253.985 250.218 1.00 0.00 C +ATOM 79 CA SER A 79 230.239 252.314 249.998 1.00 0.00 C +ATOM 80 CA PRO A 80 233.977 251.633 250.278 1.00 0.00 C +ATOM 81 CA PRO A 81 237.297 250.401 248.874 1.00 0.00 C +ATOM 82 CA ARG A 82 241.027 249.626 248.781 1.00 0.00 C +ATOM 83 CA ALA A 83 242.168 246.023 249.267 1.00 0.00 C +ATOM 84 CA ILE A 84 241.678 242.519 247.854 1.00 0.00 C +ATOM 85 CA PRO A 85 240.349 239.832 250.206 1.00 0.00 C +ATOM 86 CA LYS A 86 237.882 236.930 250.130 1.00 0.00 C +ATOM 87 CA ALA A 87 235.700 235.230 247.510 1.00 0.00 C +ATOM 88 CA GLY A 88 232.025 235.356 246.513 1.00 0.00 C +ATOM 89 CA ALA A 89 231.943 234.806 242.743 1.00 0.00 C +ATOM 90 CA ASN A 90 231.775 237.536 240.092 1.00 0.00 C +ATOM 91 CA ALA A 91 232.915 241.023 241.121 1.00 0.00 C +ATOM 92 CA VAL A 92 233.761 242.375 244.581 1.00 0.00 C +ATOM 93 CA GLY A 93 232.372 244.873 247.101 1.00 0.00 C +ATOM 94 CA ARG A 94 229.818 246.244 249.573 1.00 0.00 C +TER 95 ARG A 94 +END diff --git a/Bacteria/Q08M68/Q08M68.dcd b/Bacteria/Q08M68/Q08M68.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a8b9c3e2fca4f9c3af7f179279d489b95cb785c1 --- /dev/null +++ b/Bacteria/Q08M68/Q08M68.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:558c2d6dad44300653471c57747a5fd7053f5364a38ceeb5676f49204381ec5c +size 6680276 diff --git a/Bacteria/Q08M68/top.pdb b/Bacteria/Q08M68/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..bb4914508907e9a09e76893c85c501014cfdbaef --- /dev/null +++ b/Bacteria/Q08M68/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 MET A 1 254.298 244.189 238.982 1.00 0.00 C +ATOM 2 CA PRO A 2 256.916 246.469 240.550 1.00 0.00 C +ATOM 3 CA ARG A 3 258.493 247.297 243.918 1.00 0.00 C +ATOM 4 CA SER A 4 259.297 250.711 245.405 1.00 0.00 C +ATOM 5 CA SER A 5 260.719 250.130 248.891 1.00 0.00 C +ATOM 6 CA CYS A 6 261.945 249.242 252.387 1.00 0.00 C +ATOM 7 CA LEU A 7 259.566 249.469 255.355 1.00 0.00 C +ATOM 8 CA ARG A 8 259.078 248.665 259.047 1.00 0.00 C +ATOM 9 CA ALA A 9 256.219 246.509 260.348 1.00 0.00 C +ATOM 10 CA PRO A 10 255.202 243.807 262.833 1.00 0.00 C +ATOM 11 CA VAL A 11 255.108 240.483 260.973 1.00 0.00 C +ATOM 12 CA GLY A 12 253.123 237.525 259.621 1.00 0.00 C +ATOM 13 CA ARG A 13 254.134 235.292 256.705 1.00 0.00 C +ATOM 14 CA ALA A 14 252.548 234.079 253.460 1.00 0.00 C +ATOM 15 CA GLU A 15 249.171 232.497 252.678 1.00 0.00 C +ATOM 16 CA PRO A 16 245.696 233.566 251.540 1.00 0.00 C +ATOM 17 CA ILE A 17 242.724 234.037 253.876 1.00 0.00 C +ATOM 18 CA GLY A 18 240.028 235.714 255.982 1.00 0.00 C +ATOM 19 CA GLU A 19 238.090 237.967 258.367 1.00 0.00 C +ATOM 20 CA GLN A 20 238.827 240.927 260.650 1.00 0.00 C +ATOM 21 CA ARG A 21 237.907 242.172 264.132 1.00 0.00 C +ATOM 22 CA GLY A 22 236.258 245.522 264.889 1.00 0.00 C +ATOM 23 CA ARG A 23 236.346 248.654 262.720 1.00 0.00 C +ATOM 24 CA ALA A 24 235.755 252.124 264.178 1.00 0.00 C +ATOM 25 CA LEU A 25 236.258 255.894 263.958 1.00 0.00 C +ATOM 26 CA PRO A 26 233.406 258.187 262.896 1.00 0.00 C +ATOM 27 CA ALA A 27 234.967 261.439 261.669 1.00 0.00 C +ATOM 28 CA LEU A 28 234.841 261.364 257.862 1.00 0.00 C +ATOM 29 CA GLY A 29 235.996 264.441 255.935 1.00 0.00 C +ATOM 30 CA ALA A 30 236.866 263.316 252.400 1.00 0.00 C +ATOM 31 CA GLY A 31 237.245 259.527 252.493 1.00 0.00 C +ATOM 32 CA ALA A 32 240.121 257.068 252.047 1.00 0.00 C +ATOM 33 CA CYS A 33 242.902 258.499 254.224 1.00 0.00 C +ATOM 34 CA ARG A 34 246.374 259.707 253.225 1.00 0.00 C +ATOM 35 CA GLY A 35 249.545 260.566 255.156 1.00 0.00 C +ATOM 36 CA GLU A 36 252.075 257.725 255.365 1.00 0.00 C +ATOM 37 CA PRO A 37 251.596 255.639 252.213 1.00 0.00 C +ATOM 38 CA ARG A 38 250.697 255.361 248.521 1.00 0.00 C +ATOM 39 CA HIS A 39 251.710 255.369 244.848 1.00 0.00 C +ATOM 40 CA PRO A 40 254.468 257.606 243.467 1.00 0.00 C +ATOM 41 CA PRO A 41 255.008 256.812 239.780 1.00 0.00 C +ATOM 42 CA LEU A 42 257.111 256.399 236.630 1.00 0.00 C +ATOM 43 CA VAL A 43 260.202 254.363 235.724 1.00 0.00 C +ATOM 44 CA GLU A 44 261.912 253.326 232.482 1.00 0.00 C +ATOM 45 CA TRP A 45 263.508 252.222 229.203 1.00 0.00 C +ATOM 46 CA GLN A 46 264.622 251.960 225.569 1.00 0.00 C +ATOM 47 CA SER A 47 266.259 251.617 222.146 1.00 0.00 C +ATOM 48 CA ALA A 48 266.745 250.871 218.441 1.00 0.00 C +ATOM 49 CA THR A 49 268.118 253.676 216.258 1.00 0.00 C +TER 50 THR A 49 +END diff --git a/Bacteria/Q08M91/Q08M91.dcd b/Bacteria/Q08M91/Q08M91.dcd new file mode 100644 index 0000000000000000000000000000000000000000..9759400fa13e6acc2d6ad07a02a37403cea0f7b4 --- /dev/null +++ b/Bacteria/Q08M91/Q08M91.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3e5977e143697f8109053d02e422db6ae6f9e8f08fef3fbb2c9d67b06a7438bf +size 4880276 diff --git a/Bacteria/Q08M91/top.pdb b/Bacteria/Q08M91/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..06a1e37b05b2d8b17e08bfe6a98725a96a96b5b6 --- /dev/null +++ b/Bacteria/Q08M91/top.pdb @@ -0,0 +1,38 @@ +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 PRO A 1 226.083 235.648 269.480 1.00 0.00 C +ATOM 2 CA TRP A 2 227.260 239.007 268.119 1.00 0.00 C +ATOM 3 CA HIS A 3 229.439 241.677 266.495 1.00 0.00 C +ATOM 4 CA ARG A 4 230.480 243.493 263.312 1.00 0.00 C +ATOM 5 CA GLY A 5 232.910 246.425 263.173 1.00 0.00 C +ATOM 6 CA GLN A 6 236.363 246.585 264.775 1.00 0.00 C +ATOM 7 CA ALA A 7 239.345 245.454 262.691 1.00 0.00 C +ATOM 8 CA SER A 8 240.179 243.391 259.599 1.00 0.00 C +ATOM 9 CA PRO A 9 242.542 242.477 256.753 1.00 0.00 C +ATOM 10 CA THR A 10 245.763 241.306 255.089 1.00 0.00 C +ATOM 11 CA VAL A 11 248.289 239.465 252.911 1.00 0.00 C +ATOM 12 CA ALA A 12 246.253 236.959 250.888 1.00 0.00 C +ATOM 13 CA ARG A 13 244.888 238.759 247.820 1.00 0.00 C +ATOM 14 CA THR A 14 241.664 240.774 248.060 1.00 0.00 C +ATOM 15 CA ALA A 15 241.235 244.425 247.059 1.00 0.00 C +ATOM 16 CA GLY A 16 240.938 248.192 247.546 1.00 0.00 C +ATOM 17 CA SER A 17 240.590 250.012 244.217 1.00 0.00 C +ATOM 18 CA ARG A 18 242.957 249.040 241.394 1.00 0.00 C +ATOM 19 CA ILE A 19 244.624 250.453 238.273 1.00 0.00 C +ATOM 20 CA ARG A 20 248.207 251.745 238.226 1.00 0.00 C +ATOM 21 CA ARG A 21 250.828 253.109 240.633 1.00 0.00 C +ATOM 22 CA GLN A 22 254.248 251.755 241.624 1.00 0.00 C +ATOM 23 CA ARG A 23 257.481 252.969 243.234 1.00 0.00 C +ATOM 24 CA PRO A 24 261.055 254.224 242.830 1.00 0.00 C +ATOM 25 CA ARG A 25 264.757 254.782 242.120 1.00 0.00 C +ATOM 26 CA ALA A 26 266.212 258.186 241.219 1.00 0.00 C +ATOM 27 CA SER A 27 266.380 261.481 239.313 1.00 0.00 C +ATOM 28 CA GLU A 28 269.573 263.371 240.180 1.00 0.00 C +ATOM 29 CA TRP A 29 271.866 261.883 242.834 1.00 0.00 C +ATOM 30 CA ARG A 30 273.378 259.371 245.266 1.00 0.00 C +ATOM 31 CA ALA A 31 271.775 260.195 248.623 1.00 0.00 C +ATOM 32 CA ILE A 32 268.189 261.188 247.807 1.00 0.00 C +ATOM 33 CA ALA A 33 266.688 264.265 249.481 1.00 0.00 C +ATOM 34 CA GLN A 34 267.562 267.936 248.956 1.00 0.00 C +TER 35 GLN A 34 +END diff --git a/Bacteria/Q08MB3/Q08MB3.dcd b/Bacteria/Q08MB3/Q08MB3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..604c75b4a79f617dcfc2c8ca6e77c28fde6e19a7 --- /dev/null +++ b/Bacteria/Q08MB3/Q08MB3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0b013b026c9bb9add89dfcb3d47e7c3ed446d663c7b7bd90a5c0ff8d96afe4ab +size 4400276 diff --git a/Bacteria/Q08MB3/top.pdb b/Bacteria/Q08MB3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b2882cba55bf247fd473764017909ff3fa1768a2 --- /dev/null +++ b/Bacteria/Q08MB3/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 1 245.268 246.336 239.824 1.00 0.00 C +ATOM 2 CA PRO A 2 245.105 249.138 242.401 1.00 0.00 C +ATOM 3 CA ALA A 3 242.369 251.788 242.344 1.00 0.00 C +ATOM 4 CA ILE A 4 240.134 252.508 239.344 1.00 0.00 C +ATOM 5 CA ARG A 5 240.565 253.082 235.602 1.00 0.00 C +ATOM 6 CA GLY A 6 241.662 253.753 232.016 1.00 0.00 C +ATOM 7 CA PRO A 7 245.322 252.698 231.913 1.00 0.00 C +ATOM 8 CA GLY A 8 246.482 251.320 235.270 1.00 0.00 C +ATOM 9 CA GLU A 9 250.098 250.694 236.296 1.00 0.00 C +ATOM 10 CA GLY A 10 253.658 249.949 237.429 1.00 0.00 C +ATOM 11 CA SER A 11 256.581 248.442 235.505 1.00 0.00 C +ATOM 12 CA HIS A 12 257.595 244.901 236.481 1.00 0.00 C +ATOM 13 CA ALA A 13 259.569 245.271 239.719 1.00 0.00 C +ATOM 14 CA PRO A 14 257.549 245.753 242.913 1.00 0.00 C +ATOM 15 CA VAL A 15 255.593 249.016 243.117 1.00 0.00 C +ATOM 16 CA LEU A 16 257.370 251.693 245.164 1.00 0.00 C +ATOM 17 CA GLU A 17 254.554 253.416 247.067 1.00 0.00 C +ATOM 18 CA GLN A 18 252.552 252.872 250.262 1.00 0.00 C +ATOM 19 CA HIS A 19 249.849 252.494 252.920 1.00 0.00 C +ATOM 20 CA PHE A 20 250.767 251.307 256.422 1.00 0.00 C +ATOM 21 CA GLY A 21 252.759 250.274 259.501 1.00 0.00 C +ATOM 22 CA LEU A 22 252.019 250.777 263.205 1.00 0.00 C +ATOM 23 CA GLY A 23 249.950 252.181 266.079 1.00 0.00 C +ATOM 24 CA ALA A 24 246.546 252.680 267.716 1.00 0.00 C +ATOM 25 CA ARG A 25 247.231 254.035 271.210 1.00 0.00 C +ATOM 26 CA GLU A 26 249.235 252.217 273.893 1.00 0.00 C +ATOM 27 CA VAL A 27 251.271 249.099 273.085 1.00 0.00 C +ATOM 28 CA VAL A 28 250.369 246.675 270.288 1.00 0.00 C +ATOM 29 CA GLY A 29 249.970 243.824 267.791 1.00 0.00 C +ATOM 30 CA PRO A 30 248.007 241.807 265.223 1.00 0.00 C +TER 31 PRO A 30 +END diff --git a/Bacteria/Q08MP3/Q08MP3.dcd b/Bacteria/Q08MP3/Q08MP3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..20564809867368d5f77f06dc5d85f8f612c5300d --- /dev/null +++ b/Bacteria/Q08MP3/Q08MP3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:476879a8c95b4f6d0a4a0eac420a4aa7735308d298e11a6d86c03d930964368d +size 5120276 diff --git a/Bacteria/Q08MP3/top.pdb b/Bacteria/Q08MP3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f97468f62d4de8f70ef304d96262078af663c9da --- /dev/null +++ b/Bacteria/Q08MP3/top.pdb @@ -0,0 +1,40 @@ +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 1 269.147 233.859 241.450 1.00 0.00 C +ATOM 2 CA VAL A 2 266.107 235.744 242.763 1.00 0.00 C +ATOM 3 CA THR A 3 263.592 236.964 245.352 1.00 0.00 C +ATOM 4 CA PRO A 4 263.747 240.310 247.167 1.00 0.00 C +ATOM 5 CA ARG A 5 266.641 240.870 249.580 1.00 0.00 C +ATOM 6 CA PRO A 6 266.024 239.000 252.842 1.00 0.00 C +ATOM 7 CA HIS A 7 263.927 239.711 255.942 1.00 0.00 C +ATOM 8 CA ARG A 8 260.148 239.825 255.471 1.00 0.00 C +ATOM 9 CA ALA A 9 258.644 240.481 258.910 1.00 0.00 C +ATOM 10 CA GLN A 10 257.370 238.490 261.897 1.00 0.00 C +ATOM 11 CA ASP A 11 255.536 235.152 261.797 1.00 0.00 C +ATOM 12 CA GLY A 12 251.740 234.933 262.047 1.00 0.00 C +ATOM 13 CA THR A 13 248.984 236.565 259.984 1.00 0.00 C +ATOM 14 CA GLY A 14 250.354 239.281 257.690 1.00 0.00 C +ATOM 15 CA LEU A 15 251.945 242.226 259.510 1.00 0.00 C +ATOM 16 CA GLY A 16 252.079 245.932 260.387 1.00 0.00 C +ATOM 17 CA LEU A 17 252.875 248.998 258.270 1.00 0.00 C +ATOM 18 CA GLU A 18 254.621 250.840 255.428 1.00 0.00 C +ATOM 19 CA ARG A 19 256.684 250.547 252.238 1.00 0.00 C +ATOM 20 CA VAL A 20 258.259 253.623 250.633 1.00 0.00 C +ATOM 21 CA ALA A 21 256.503 256.777 249.414 1.00 0.00 C +ATOM 22 CA LEU A 22 253.527 258.022 247.386 1.00 0.00 C +ATOM 23 CA LEU A 23 250.097 259.303 246.332 1.00 0.00 C +ATOM 24 CA GLY A 24 247.371 258.531 248.879 1.00 0.00 C +ATOM 25 CA GLY A 25 246.576 258.165 252.587 1.00 0.00 C +ATOM 26 CA GLY A 26 243.578 260.332 253.501 1.00 0.00 C +ATOM 27 CA PRO A 27 242.772 263.269 251.212 1.00 0.00 C +ATOM 28 CA ASP A 28 239.122 263.354 250.122 1.00 0.00 C +ATOM 29 CA ASP A 29 236.919 261.595 247.559 1.00 0.00 C +ATOM 30 CA VAL A 30 236.958 259.152 244.636 1.00 0.00 C +ATOM 31 CA HIS A 31 234.335 259.277 241.876 1.00 0.00 C +ATOM 32 CA PRO A 32 231.690 259.786 239.181 1.00 0.00 C +ATOM 33 CA VAL A 33 229.113 261.817 237.244 1.00 0.00 C +ATOM 34 CA ARG A 34 228.328 262.402 233.562 1.00 0.00 C +ATOM 35 CA ARG A 35 226.962 265.832 232.619 1.00 0.00 C +ATOM 36 CA GLN A 36 227.723 269.037 234.533 1.00 0.00 C +TER 37 GLN A 36 +END diff --git a/Bacteria/Q08MR0/Q08MR0.dcd b/Bacteria/Q08MR0/Q08MR0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..29e9b0f83774de5ad004c7a73b58540962923c8b --- /dev/null +++ b/Bacteria/Q08MR0/Q08MR0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dfdd7f054012a1227ef81293e84e430bd9e4a764bf0b20d7847375f4459c4d9a +size 18800276 diff --git a/Bacteria/Q08MR0/top.pdb b/Bacteria/Q08MR0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ecf426ddcfda2a51097e4632d3e17b07c0cebc95 --- /dev/null +++ b/Bacteria/Q08MR0/top.pdb @@ -0,0 +1,154 @@ +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 1 270.345 279.249 247.803 1.00 0.00 C +ATOM 2 CA LEU A 2 270.156 275.445 247.910 1.00 0.00 C +ATOM 3 CA ARG A 3 267.569 273.282 249.684 1.00 0.00 C +ATOM 4 CA GLY A 4 264.732 275.550 250.835 1.00 0.00 C +ATOM 5 CA HIS A 5 265.153 277.068 254.304 1.00 0.00 C +ATOM 6 CA ARG A 6 264.440 277.298 258.040 1.00 0.00 C +ATOM 7 CA ARG A 7 266.144 280.307 259.640 1.00 0.00 C +ATOM 8 CA PRO A 8 265.048 283.809 258.615 1.00 0.00 C +ATOM 9 CA ALA A 9 265.584 287.507 257.874 1.00 0.00 C +ATOM 10 CA ASP A 10 264.680 291.060 258.911 1.00 0.00 C +ATOM 11 CA PRO A 11 261.355 292.892 258.593 1.00 0.00 C +ATOM 12 CA THR A 12 258.182 294.332 257.051 1.00 0.00 C +ATOM 13 CA ASP A 13 254.731 295.930 257.290 1.00 0.00 C +ATOM 14 CA ARG A 14 251.275 294.371 256.915 1.00 0.00 C +ATOM 15 CA LEU A 15 250.425 292.723 260.243 1.00 0.00 C +ATOM 16 CA HIS A 16 253.507 291.666 262.218 1.00 0.00 C +ATOM 17 CA ARG A 17 253.422 289.880 265.583 1.00 0.00 C +ATOM 18 CA LEU A 18 254.075 291.304 269.056 1.00 0.00 C +ATOM 19 CA SER A 19 256.515 290.388 271.835 1.00 0.00 C +ATOM 20 CA ASP A 20 259.627 288.656 273.191 1.00 0.00 C +ATOM 21 CA PHE A 21 262.994 290.149 272.218 1.00 0.00 C +ATOM 22 CA ARG A 22 262.340 292.618 269.391 1.00 0.00 C +ATOM 23 CA GLY A 23 262.922 296.081 270.871 1.00 0.00 C +ATOM 24 CA ARG A 24 266.569 296.563 271.862 1.00 0.00 C +ATOM 25 CA ARG A 25 268.962 294.388 269.847 1.00 0.00 C +ATOM 26 CA ARG A 26 271.688 293.182 272.220 1.00 0.00 C +ATOM 27 CA GLY A 27 274.615 291.363 270.594 1.00 0.00 C +ATOM 28 CA ALA A 28 275.155 287.712 271.542 1.00 0.00 C +ATOM 29 CA LEU A 29 278.937 287.319 271.782 1.00 0.00 C +ATOM 30 CA ARG A 30 279.852 283.802 270.636 1.00 0.00 C +ATOM 31 CA GLN A 31 278.005 283.053 267.388 1.00 0.00 C +ATOM 32 CA ARG A 32 279.619 284.796 264.410 1.00 0.00 C +ATOM 33 CA ASP A 33 280.615 284.471 260.747 1.00 0.00 C +ATOM 34 CA PRO A 34 278.487 286.782 258.590 1.00 0.00 C +ATOM 35 CA ALA A 35 277.760 287.081 254.862 1.00 0.00 C +ATOM 36 CA HIS A 36 274.325 287.285 253.226 1.00 0.00 C +ATOM 37 CA ARG A 37 272.988 283.946 251.969 1.00 0.00 C +ATOM 38 CA ARG A 38 274.292 281.167 254.225 1.00 0.00 C +ATOM 39 CA ASN A 39 272.352 281.312 257.501 1.00 0.00 C +ATOM 40 CA ARG A 40 272.659 278.103 259.531 1.00 0.00 C +ATOM 41 CA ARG A 41 274.074 276.389 262.626 1.00 0.00 C +ATOM 42 CA ALA A 42 275.353 272.976 261.515 1.00 0.00 C +ATOM 43 CA GLY A 43 277.830 270.795 259.612 1.00 0.00 C +ATOM 44 CA GLU A 44 277.447 267.045 259.058 1.00 0.00 C +ATOM 45 CA PRO A 45 274.236 265.352 260.216 1.00 0.00 C +ATOM 46 CA THR A 46 272.156 263.906 257.370 1.00 0.00 C +ATOM 47 CA ALA A 47 268.734 262.458 258.213 1.00 0.00 C +ATOM 48 CA TRP A 48 267.197 261.346 254.909 1.00 0.00 C +ATOM 49 CA GLY A 49 268.102 257.903 253.550 1.00 0.00 C +ATOM 50 CA GLY A 50 266.222 254.605 253.875 1.00 0.00 C +ATOM 51 CA ALA A 51 263.157 254.458 256.133 1.00 0.00 C +ATOM 52 CA ALA A 52 263.643 251.833 258.852 1.00 0.00 C +ATOM 53 CA ALA A 53 261.679 251.819 262.117 1.00 0.00 C +ATOM 54 CA ARG A 54 259.547 249.675 264.435 1.00 0.00 C +ATOM 55 CA PRO A 55 258.357 246.170 265.338 1.00 0.00 C +ATOM 56 CA GLU A 56 255.145 245.096 263.593 1.00 0.00 C +ATOM 57 CA PRO A 57 252.044 246.144 261.644 1.00 0.00 C +ATOM 58 CA PRO A 58 248.901 244.317 262.785 1.00 0.00 C +ATOM 59 CA ARG A 59 245.949 242.954 264.771 1.00 0.00 C +ATOM 60 CA THR A 60 242.333 242.445 265.858 1.00 0.00 C +ATOM 61 CA LEU A 61 239.331 240.319 266.850 1.00 0.00 C +ATOM 62 CA CYS A 62 235.862 238.872 267.472 1.00 0.00 C +ATOM 63 CA HIS A 63 234.762 236.956 270.577 1.00 0.00 C +ATOM 64 CA ARG A 64 234.107 235.516 274.042 1.00 0.00 C +ATOM 65 CA GLY A 65 237.224 234.180 275.779 1.00 0.00 C +ATOM 66 CA ALA A 66 237.480 230.412 275.277 1.00 0.00 C +ATOM 67 CA GLU A 67 239.450 227.302 276.262 1.00 0.00 C +ATOM 68 CA ALA A 68 241.424 224.125 276.982 1.00 0.00 C +ATOM 69 CA GLY A 69 239.485 221.144 278.350 1.00 0.00 C +ATOM 70 CA ARG A 70 237.334 219.808 281.196 1.00 0.00 C +ATOM 71 CA GLN A 71 236.351 216.263 280.204 1.00 0.00 C +ATOM 72 CA VAL A 72 238.157 213.000 279.426 1.00 0.00 C +ATOM 73 CA PRO A 73 240.905 212.807 276.794 1.00 0.00 C +ATOM 74 CA ALA A 74 243.647 214.228 274.563 1.00 0.00 C +ATOM 75 CA ALA A 75 244.891 215.496 271.192 1.00 0.00 C +ATOM 76 CA GLY A 76 245.899 216.313 267.610 1.00 0.00 C +ATOM 77 CA GLU A 77 248.725 218.723 266.760 1.00 0.00 C +ATOM 78 CA GLN A 78 251.113 218.771 269.728 1.00 0.00 C +ATOM 79 CA HIS A 79 253.991 221.021 270.809 1.00 0.00 C +ATOM 80 CA ARG A 80 254.898 224.223 272.665 1.00 0.00 C +ATOM 81 CA GLY A 81 252.047 226.714 272.239 1.00 0.00 C +ATOM 82 CA HIS A 82 248.878 228.765 272.759 1.00 0.00 C +ATOM 83 CA ARG A 83 247.406 231.342 270.371 1.00 0.00 C +ATOM 84 CA ARG A 84 246.272 232.457 266.909 1.00 0.00 C +ATOM 85 CA PRO A 85 246.190 229.681 264.301 1.00 0.00 C +ATOM 86 CA GLY A 86 246.618 225.967 265.039 1.00 0.00 C +ATOM 87 CA ARG A 87 248.798 223.882 262.711 1.00 0.00 C +ATOM 88 CA ASP A 88 252.569 223.637 262.227 1.00 0.00 C +ATOM 89 CA ARG A 89 255.880 225.370 261.488 1.00 0.00 C +ATOM 90 CA ARG A 90 258.865 223.074 262.064 1.00 0.00 C +ATOM 91 CA GLY A 91 259.081 220.437 259.323 1.00 0.00 C +ATOM 92 CA GLY A 92 260.154 220.610 255.671 1.00 0.00 C +ATOM 93 CA ARG A 93 257.602 219.166 253.238 1.00 0.00 C +ATOM 94 CA HIS A 94 257.247 218.574 249.491 1.00 0.00 C +ATOM 95 CA GLY A 95 255.585 217.168 246.365 1.00 0.00 C +ATOM 96 CA LEU A 96 252.260 218.468 245.034 1.00 0.00 C +ATOM 97 CA VAL A 97 248.878 219.376 243.531 1.00 0.00 C +ATOM 98 CA ARG A 98 247.659 216.602 241.222 1.00 0.00 C +ATOM 99 CA LEU A 99 247.370 217.832 237.627 1.00 0.00 C +ATOM 100 CA SER A 100 250.065 220.236 236.413 1.00 0.00 C +ATOM 101 CA ASP A 101 249.348 223.304 234.271 1.00 0.00 C +ATOM 102 CA ASP A 102 248.739 225.596 231.288 1.00 0.00 C +ATOM 103 CA ASP A 103 245.907 228.090 230.766 1.00 0.00 C +ATOM 104 CA ASP A 104 246.882 231.578 229.584 1.00 0.00 C +ATOM 105 CA ALA A 105 249.221 233.211 227.059 1.00 0.00 C +ATOM 106 CA HIS A 106 249.386 236.164 224.656 1.00 0.00 C +ATOM 107 CA ARG A 107 250.726 236.686 221.128 1.00 0.00 C +ATOM 108 CA LEU A 108 248.606 235.010 218.442 1.00 0.00 C +ATOM 109 CA LEU A 109 248.632 236.326 214.867 1.00 0.00 C +ATOM 110 CA LEU A 110 245.400 236.191 212.854 1.00 0.00 C +ATOM 111 CA LEU A 111 242.961 238.873 214.029 1.00 0.00 C +ATOM 112 CA PRO A 112 239.590 239.690 215.604 1.00 0.00 C +ATOM 113 CA GLY A 113 235.892 240.319 214.936 1.00 0.00 C +ATOM 114 CA GLY A 114 234.186 240.667 211.547 1.00 0.00 C +ATOM 115 CA ARG A 115 234.197 238.788 208.233 1.00 0.00 C +ATOM 116 CA GLN A 116 231.102 237.069 206.826 1.00 0.00 C +ATOM 117 CA ALA A 117 228.485 235.578 209.159 1.00 0.00 C +ATOM 118 CA ALA A 118 224.807 235.533 210.152 1.00 0.00 C +ATOM 119 CA ARG A 119 221.367 235.730 211.778 1.00 0.00 C +ATOM 120 CA ARG A 120 221.768 234.951 215.486 1.00 0.00 C +ATOM 121 CA VAL A 121 219.223 233.269 217.769 1.00 0.00 C +ATOM 122 CA ASP A 122 217.292 230.292 219.157 1.00 0.00 C +ATOM 123 CA ARG A 123 216.674 227.992 222.131 1.00 0.00 C +ATOM 124 CA GLU A 124 212.962 227.600 222.894 1.00 0.00 C +ATOM 125 CA ARG A 125 210.880 230.550 221.677 1.00 0.00 C +ATOM 126 CA GLY A 126 212.060 234.151 222.069 1.00 0.00 C +ATOM 127 CA ALA A 127 211.379 237.895 221.869 1.00 0.00 C +ATOM 128 CA PRO A 128 212.830 240.613 224.109 1.00 0.00 C +ATOM 129 CA GLN A 129 215.338 239.547 226.772 1.00 0.00 C +ATOM 130 CA THR A 130 215.062 241.480 230.044 1.00 0.00 C +ATOM 131 CA GLY A 131 216.685 244.811 230.928 1.00 0.00 C +ATOM 132 CA ALA A 132 220.483 244.829 230.631 1.00 0.00 C +ATOM 133 CA ASP A 133 223.225 244.010 228.115 1.00 0.00 C +ATOM 134 CA ASP A 134 224.494 240.474 228.753 1.00 0.00 C +ATOM 135 CA ARG A 135 225.750 237.855 226.288 1.00 0.00 C +ATOM 136 CA ASP A 136 229.155 239.003 225.021 1.00 0.00 C +ATOM 137 CA PRO A 137 231.081 240.866 227.730 1.00 0.00 C +ATOM 138 CA PRO A 138 233.054 243.821 226.356 1.00 0.00 C +ATOM 139 CA ARG A 139 233.495 247.417 227.536 1.00 0.00 C +ATOM 140 CA VAL A 140 236.410 248.923 229.472 1.00 0.00 C +ATOM 141 CA ARG A 141 236.794 248.855 233.261 1.00 0.00 C +ATOM 142 CA HIS A 142 240.331 248.575 234.650 1.00 0.00 C +ATOM 143 CA VAL A 143 243.332 246.607 233.370 1.00 0.00 C +ATOM 144 CA SER A 144 244.284 243.718 235.665 1.00 0.00 C +ATOM 145 CA SER A 145 243.669 244.832 239.256 1.00 0.00 C +ATOM 146 CA ARG A 146 245.550 248.076 239.928 1.00 0.00 C +ATOM 147 CA LEU A 147 247.875 249.505 237.269 1.00 0.00 C +ATOM 148 CA CYS A 148 251.444 250.099 236.077 1.00 0.00 C +ATOM 149 CA LEU A 149 252.527 251.283 232.621 1.00 0.00 C +ATOM 150 CA VAL A 150 250.798 253.289 229.882 1.00 0.00 C +TER 151 VAL A 150 +END diff --git a/Bacteria/Q08MS1/Q08MS1.dcd b/Bacteria/Q08MS1/Q08MS1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..7f91f4c0c125421d209664f5ff1a67126fff44b6 --- /dev/null +++ b/Bacteria/Q08MS1/Q08MS1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5595adde17f1da0aa4ab7fc40fa6f6de3eecb9cde512642c8b241ee6f7742180 +size 4760276 diff --git a/Bacteria/Q08MS1/top.pdb b/Bacteria/Q08MS1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ecce2e4d556ef21edc77533f15a4995f09bf933d --- /dev/null +++ b/Bacteria/Q08MS1/top.pdb @@ -0,0 +1,37 @@ +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 1 247.264 270.440 241.638 1.00 0.00 C +ATOM 2 CA MET A 2 247.985 266.709 241.371 1.00 0.00 C +ATOM 3 CA SER A 3 246.547 264.282 243.932 1.00 0.00 C +ATOM 4 CA ALA A 4 244.256 261.553 245.282 1.00 0.00 C +ATOM 5 CA HIS A 5 244.439 258.746 247.851 1.00 0.00 C +ATOM 6 CA ARG A 6 246.468 256.108 249.706 1.00 0.00 C +ATOM 7 CA HIS A 7 245.680 255.031 253.274 1.00 0.00 C +ATOM 8 CA ARG A 8 248.326 254.100 255.852 1.00 0.00 C +ATOM 9 CA ARG A 9 250.061 254.889 259.152 1.00 0.00 C +ATOM 10 CA ARG A 10 249.573 255.853 262.805 1.00 0.00 C +ATOM 11 CA ALA A 11 247.522 255.312 265.970 1.00 0.00 C +ATOM 12 CA PHE A 12 245.075 252.485 265.239 1.00 0.00 C +ATOM 13 CA PRO A 13 243.745 251.115 261.942 1.00 0.00 C +ATOM 14 CA TYR A 14 244.421 247.733 260.322 1.00 0.00 C +ATOM 15 CA GLN A 15 243.269 245.759 257.274 1.00 0.00 C +ATOM 16 CA PRO A 16 241.373 244.219 254.350 1.00 0.00 C +ATOM 17 CA LEU A 17 241.607 243.184 250.691 1.00 0.00 C +ATOM 18 CA SER A 18 242.673 245.583 247.930 1.00 0.00 C +ATOM 19 CA ARG A 19 243.511 244.054 244.543 1.00 0.00 C +ATOM 20 CA ASN A 20 244.081 242.527 241.099 1.00 0.00 C +ATOM 21 CA PRO A 21 245.246 243.340 237.564 1.00 0.00 C +ATOM 22 CA GLN A 22 248.909 243.994 236.745 1.00 0.00 C +ATOM 23 CA CYS A 23 252.706 243.978 237.055 1.00 0.00 C +ATOM 24 CA THR A 24 255.040 245.832 239.427 1.00 0.00 C +ATOM 25 CA GLY A 25 255.495 247.987 242.536 1.00 0.00 C +ATOM 26 CA ARG A 26 257.519 248.088 245.763 1.00 0.00 C +ATOM 27 CA ARG A 27 257.692 248.253 249.565 1.00 0.00 C +ATOM 28 CA LEU A 28 259.231 248.681 253.024 1.00 0.00 C +ATOM 29 CA LEU A 29 262.084 246.375 254.056 1.00 0.00 C +ATOM 30 CA ARG A 30 260.487 243.081 255.112 1.00 0.00 C +ATOM 31 CA PRO A 31 260.827 240.050 252.829 1.00 0.00 C +ATOM 32 CA SER A 32 262.459 239.469 249.436 1.00 0.00 C +ATOM 33 CA ARG A 33 264.428 241.191 246.666 1.00 0.00 C +TER 34 ARG A 33 +END diff --git a/Bacteria/Q08N16/Q08N16.dcd b/Bacteria/Q08N16/Q08N16.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8ddcf9b45c56d7ea3af0621c09c5ca3677f9c461 --- /dev/null +++ b/Bacteria/Q08N16/Q08N16.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:88ba7c689c29166511ce1148af62676151133096713defbce04aa54475aa9c2a +size 6200276 diff --git a/Bacteria/Q08N16/top.pdb b/Bacteria/Q08N16/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..cc84435210fa992b401009f718886575b5e4e676 --- /dev/null +++ b/Bacteria/Q08N16/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 PRO A 1 257.946 273.731 259.032 1.00 0.00 C +ATOM 2 CA ALA A 2 257.376 270.307 260.603 1.00 0.00 C +ATOM 3 CA ALA A 3 257.525 267.891 263.546 1.00 0.00 C +ATOM 4 CA ALA A 4 255.356 264.782 263.168 1.00 0.00 C +ATOM 5 CA PRO A 5 253.731 261.490 264.187 1.00 0.00 C +ATOM 6 CA GLY A 6 253.831 257.897 262.925 1.00 0.00 C +ATOM 7 CA THR A 7 252.239 254.753 264.375 1.00 0.00 C +ATOM 8 CA GLY A 8 250.306 255.844 267.471 1.00 0.00 C +ATOM 9 CA ALA A 9 247.531 258.439 267.187 1.00 0.00 C +ATOM 10 CA ARG A 10 245.542 261.449 265.962 1.00 0.00 C +ATOM 11 CA ASP A 11 246.204 263.621 262.902 1.00 0.00 C +ATOM 12 CA ALA A 12 246.897 267.290 262.146 1.00 0.00 C +ATOM 13 CA GLU A 13 247.586 269.518 259.133 1.00 0.00 C +ATOM 14 CA ALA A 14 247.171 268.674 255.441 1.00 0.00 C +ATOM 15 CA GLY A 15 249.643 270.025 252.876 1.00 0.00 C +ATOM 16 CA CYS A 16 250.451 267.471 250.166 1.00 0.00 C +ATOM 17 CA ALA A 17 249.586 264.373 248.124 1.00 0.00 C +ATOM 18 CA GLY A 18 249.130 260.998 246.416 1.00 0.00 C +ATOM 19 CA PRO A 19 246.436 258.304 246.406 1.00 0.00 C +ATOM 20 CA LEU A 20 246.313 254.504 246.168 1.00 0.00 C +ATOM 21 CA PRO A 21 243.274 252.615 247.479 1.00 0.00 C +ATOM 22 CA GLY A 22 239.810 252.783 245.903 1.00 0.00 C +ATOM 23 CA GLY A 23 237.538 252.518 242.856 1.00 0.00 C +ATOM 24 CA GLY A 24 236.523 248.869 242.436 1.00 0.00 C +ATOM 25 CA PRO A 25 234.807 246.330 240.172 1.00 0.00 C +ATOM 26 CA GLY A 26 231.960 244.447 241.864 1.00 0.00 C +ATOM 27 CA GLY A 27 231.551 240.911 240.506 1.00 0.00 C +ATOM 28 CA PHE A 28 234.892 239.744 239.094 1.00 0.00 C +ATOM 29 CA PRO A 29 237.475 237.598 237.295 1.00 0.00 C +ATOM 30 CA ALA A 30 241.159 237.721 236.329 1.00 0.00 C +ATOM 31 CA PHE A 31 242.979 235.348 238.689 1.00 0.00 C +ATOM 32 CA GLY A 32 245.577 236.060 241.384 1.00 0.00 C +ATOM 33 CA SER A 33 248.238 235.254 243.988 1.00 0.00 C +ATOM 34 CA GLU A 34 251.869 236.178 243.298 1.00 0.00 C +ATOM 35 CA GLY A 35 251.923 239.773 242.036 1.00 0.00 C +ATOM 36 CA TRP A 36 254.817 242.212 242.469 1.00 0.00 C +ATOM 37 CA ASP A 37 258.272 243.213 243.726 1.00 0.00 C +ATOM 38 CA ILE A 38 260.262 240.425 245.394 1.00 0.00 C +ATOM 39 CA GLY A 39 260.349 239.397 249.062 1.00 0.00 C +ATOM 40 CA GLY A 40 262.321 236.138 249.064 1.00 0.00 C +ATOM 41 CA PRO A 41 264.661 233.155 248.680 1.00 0.00 C +ATOM 42 CA TYR A 42 268.016 231.958 247.327 1.00 0.00 C +ATOM 43 CA GLY A 43 267.524 228.488 245.833 1.00 0.00 C +ATOM 44 CA SER A 44 267.744 225.319 243.730 1.00 0.00 C +ATOM 45 CA GLY A 45 265.659 222.183 243.149 1.00 0.00 C +TER 46 GLY A 45 +END diff --git a/Bacteria/Q08N37/Q08N37.dcd b/Bacteria/Q08N37/Q08N37.dcd new file mode 100644 index 0000000000000000000000000000000000000000..3ac1641d7e2bc4589cdc78b2a21f32a818897a21 --- /dev/null +++ b/Bacteria/Q08N37/Q08N37.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:07677e615b676620b8a4c96f20e6518f62442cb382784355ac4fde5f31c8139d +size 5480276 diff --git a/Bacteria/Q08N37/top.pdb b/Bacteria/Q08N37/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..31f52b35009d6db93fa213deac727eb955567364 --- /dev/null +++ b/Bacteria/Q08N37/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 1 223.250 239.172 272.498 1.00 0.00 C +ATOM 2 CA GLY A 2 224.718 237.174 275.391 1.00 0.00 C +ATOM 3 CA HIS A 3 227.219 234.427 276.238 1.00 0.00 C +ATOM 4 CA PRO A 4 230.365 232.283 276.365 1.00 0.00 C +ATOM 5 CA GLY A 5 233.411 234.541 276.739 1.00 0.00 C +ATOM 6 CA ASP A 6 237.089 233.559 276.574 1.00 0.00 C +ATOM 7 CA GLY A 7 239.270 236.492 275.499 1.00 0.00 C +ATOM 8 CA LEU A 8 240.332 236.227 271.850 1.00 0.00 C +ATOM 9 CA LEU A 9 241.570 237.647 268.539 1.00 0.00 C +ATOM 10 CA GLN A 10 240.870 240.071 265.683 1.00 0.00 C +ATOM 11 CA PRO A 11 243.179 240.489 262.682 1.00 0.00 C +ATOM 12 CA THR A 12 246.694 241.955 262.564 1.00 0.00 C +ATOM 13 CA ALA A 13 249.250 241.683 259.752 1.00 0.00 C +ATOM 14 CA ARG A 14 248.087 242.239 256.167 1.00 0.00 C +ATOM 15 CA SER A 15 246.202 243.297 253.029 1.00 0.00 C +ATOM 16 CA GLY A 16 248.133 244.394 249.934 1.00 0.00 C +ATOM 17 CA GLY A 17 251.310 246.472 249.609 1.00 0.00 C +ATOM 18 CA ALA A 18 251.078 249.272 247.035 1.00 0.00 C +ATOM 19 CA GLY A 19 251.549 252.440 244.972 1.00 0.00 C +ATOM 20 CA ARG A 20 253.909 252.207 241.991 1.00 0.00 C +ATOM 21 CA ARG A 21 254.133 251.169 238.331 1.00 0.00 C +ATOM 22 CA GLY A 22 252.516 253.614 235.897 1.00 0.00 C +ATOM 23 CA LEU A 23 250.258 256.145 234.162 1.00 0.00 C +ATOM 24 CA LEU A 24 248.545 258.713 236.395 1.00 0.00 C +ATOM 25 CA LEU A 25 247.793 261.708 238.627 1.00 0.00 C +ATOM 26 CA ASP A 26 248.460 265.086 240.258 1.00 0.00 C +ATOM 27 CA LEU A 27 249.475 264.894 243.925 1.00 0.00 C +ATOM 28 CA ALA A 28 253.265 264.777 244.297 1.00 0.00 C +ATOM 29 CA GLY A 29 255.411 264.720 241.149 1.00 0.00 C +ATOM 30 CA ARG A 30 255.708 263.586 237.524 1.00 0.00 C +ATOM 31 CA ARG A 31 258.592 265.083 235.535 1.00 0.00 C +ATOM 32 CA ARG A 32 261.402 265.366 232.977 1.00 0.00 C +ATOM 33 CA ARG A 33 265.189 265.052 232.713 1.00 0.00 C +ATOM 34 CA GLY A 34 266.007 261.547 231.462 1.00 0.00 C +ATOM 35 CA ASN A 35 268.116 259.035 229.524 1.00 0.00 C +ATOM 36 CA THR A 36 270.220 255.859 229.477 1.00 0.00 C +ATOM 37 CA GLY A 37 272.473 254.989 232.424 1.00 0.00 C +ATOM 38 CA GLY A 38 271.499 252.760 235.356 1.00 0.00 C +ATOM 39 CA ARG A 39 273.455 249.854 236.854 1.00 0.00 C +TER 40 ARG A 39 +END diff --git a/Bacteria/Q08NE9/Q08NE9.dcd b/Bacteria/Q08NE9/Q08NE9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e2efe2b1bcb5a42ff84bed3f869ec3716fd8ce1f --- /dev/null +++ b/Bacteria/Q08NE9/Q08NE9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:729e7f399b35360d57f4e55339b1a53f55b0b269f3fba7a076d264d7a5201ee1 +size 5000276 diff --git a/Bacteria/Q08NE9/top.pdb b/Bacteria/Q08NE9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..039d91a973ce8bcc567bd70a4dbdf0dafb5c0194 --- /dev/null +++ b/Bacteria/Q08NE9/top.pdb @@ -0,0 +1,39 @@ +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 1 278.262 229.354 248.408 1.00 0.00 C +ATOM 2 CA GLY A 2 278.139 233.160 248.526 1.00 0.00 C +ATOM 3 CA ASP A 3 278.262 234.385 252.132 1.00 0.00 C +ATOM 4 CA PHE A 4 275.014 233.605 253.964 1.00 0.00 C +ATOM 5 CA ALA A 5 273.042 236.663 255.096 1.00 0.00 C +ATOM 6 CA PRO A 6 271.080 239.855 255.784 1.00 0.00 C +ATOM 7 CA ILE A 7 273.340 242.878 255.264 1.00 0.00 C +ATOM 8 CA VAL A 8 272.632 246.621 255.268 1.00 0.00 C +ATOM 9 CA SER A 9 268.930 246.925 256.115 1.00 0.00 C +ATOM 10 CA GLY A 10 266.576 244.122 255.056 1.00 0.00 C +ATOM 11 CA GLU A 11 262.825 244.397 254.448 1.00 0.00 C +ATOM 12 CA GLU A 12 259.059 244.829 254.821 1.00 0.00 C +ATOM 13 CA GLN A 13 255.287 244.729 255.354 1.00 0.00 C +ATOM 14 CA HIS A 14 252.361 246.040 257.413 1.00 0.00 C +ATOM 15 CA ARG A 15 252.496 249.846 257.521 1.00 0.00 C +ATOM 16 CA LEU A 16 250.728 252.831 255.947 1.00 0.00 C +ATOM 17 CA LEU A 17 247.233 253.147 257.430 1.00 0.00 C +ATOM 18 CA GLY A 18 243.906 252.309 259.088 1.00 0.00 C +ATOM 19 CA ARG A 19 240.106 252.569 259.198 1.00 0.00 C +ATOM 20 CA ARG A 20 238.384 253.051 255.834 1.00 0.00 C +ATOM 21 CA ALA A 21 234.622 253.469 256.267 1.00 0.00 C +ATOM 22 CA ARG A 22 231.022 252.378 255.659 1.00 0.00 C +ATOM 23 CA PRO A 23 228.516 252.995 252.857 1.00 0.00 C +ATOM 24 CA GLU A 24 229.907 252.258 249.388 1.00 0.00 C +ATOM 25 CA ARG A 25 228.808 250.580 246.149 1.00 0.00 C +ATOM 26 CA ASP A 26 227.039 253.228 244.057 1.00 0.00 C +ATOM 27 CA GLN A 27 228.315 256.798 244.439 1.00 0.00 C +ATOM 28 CA GLN A 28 231.979 257.025 243.421 1.00 0.00 C +ATOM 29 CA GLN A 29 234.634 256.317 240.781 1.00 0.00 C +ATOM 30 CA ARG A 30 237.957 258.174 240.625 1.00 0.00 C +ATOM 31 CA GLN A 31 238.833 261.839 240.061 1.00 0.00 C +ATOM 32 CA HIS A 32 237.872 263.689 236.872 1.00 0.00 C +ATOM 33 CA GLY A 33 239.838 266.516 235.241 1.00 0.00 C +ATOM 34 CA GLN A 34 242.407 266.626 232.430 1.00 0.00 C +ATOM 35 CA GLN A 35 240.588 266.791 229.086 1.00 0.00 C +TER 36 GLN A 35 +END diff --git a/Bacteria/Q08NG7/Q08NG7.dcd b/Bacteria/Q08NG7/Q08NG7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..4fbb32f38d2339e74d025d1aafcc5e79dc5b9ad0 --- /dev/null +++ b/Bacteria/Q08NG7/Q08NG7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d20c8db0b2e38548c1eb2c54de6c646f7bdd2207c3072e6805b68f2e8c82a08f +size 5120276 diff --git a/Bacteria/Q08NG7/top.pdb b/Bacteria/Q08NG7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..77cb5550766be71a4530eef0fe7474ccd62c3af9 --- /dev/null +++ b/Bacteria/Q08NG7/top.pdb @@ -0,0 +1,40 @@ +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 1 239.654 251.024 244.665 1.00 0.00 C +ATOM 2 CA LEU A 2 241.064 248.627 242.060 1.00 0.00 C +ATOM 3 CA ARG A 3 242.917 248.418 238.738 1.00 0.00 C +ATOM 4 CA GLN A 4 246.561 247.305 238.698 1.00 0.00 C +ATOM 5 CA CYS A 5 249.124 246.505 241.401 1.00 0.00 C +ATOM 6 CA SER A 6 251.580 244.125 243.080 1.00 0.00 C +ATOM 7 CA ILE A 7 252.741 241.187 245.209 1.00 0.00 C +ATOM 8 CA GLU A 8 252.840 238.199 247.571 1.00 0.00 C +ATOM 9 CA GLU A 9 249.861 237.903 249.927 1.00 0.00 C +ATOM 10 CA GLY A 10 246.743 239.114 251.751 1.00 0.00 C +ATOM 11 CA TRP A 11 242.975 239.056 252.315 1.00 0.00 C +ATOM 12 CA ARG A 12 240.093 239.672 249.901 1.00 0.00 C +ATOM 13 CA MET A 13 240.350 237.811 246.586 1.00 0.00 C +ATOM 14 CA ASP A 14 241.079 236.235 243.195 1.00 0.00 C +ATOM 15 CA PHE A 15 242.767 238.734 240.866 1.00 0.00 C +ATOM 16 CA GLU A 16 244.161 241.491 243.095 1.00 0.00 C +ATOM 17 CA ASP A 17 244.078 243.160 246.519 1.00 0.00 C +ATOM 18 CA ASP A 18 246.027 244.974 249.245 1.00 0.00 C +ATOM 19 CA ASP A 19 245.566 246.976 252.453 1.00 0.00 C +ATOM 20 CA ASN A 20 248.353 249.384 253.428 1.00 0.00 C +ATOM 21 CA LYS A 21 246.930 252.829 252.641 1.00 0.00 C +ATOM 22 CA GLY A 22 243.621 254.133 251.273 1.00 0.00 C +ATOM 23 CA SER A 23 244.500 256.289 248.257 1.00 0.00 C +ATOM 24 CA LYS A 24 248.107 257.088 247.328 1.00 0.00 C +ATOM 25 CA GLY A 25 249.794 253.706 246.851 1.00 0.00 C +ATOM 26 CA LYS A 26 253.088 254.013 248.742 1.00 0.00 C +ATOM 27 CA GLY A 27 253.970 257.703 249.089 1.00 0.00 C +ATOM 28 CA ARG A 28 254.806 260.158 251.880 1.00 0.00 C +ATOM 29 CA SER A 29 257.088 260.497 254.912 1.00 0.00 C +ATOM 30 CA GLY A 30 260.622 261.321 253.750 1.00 0.00 C +ATOM 31 CA LYS A 31 264.045 260.130 254.926 1.00 0.00 C +ATOM 32 CA PRO A 32 264.262 258.714 258.457 1.00 0.00 C +ATOM 33 CA ILE A 33 264.620 261.616 260.899 1.00 0.00 C +ATOM 34 CA LYS A 34 262.922 264.015 263.324 1.00 0.00 C +ATOM 35 CA GLU A 35 261.214 264.504 266.694 1.00 0.00 C +ATOM 36 CA PHE A 36 261.877 263.389 270.277 1.00 0.00 C +TER 37 PHE A 36 +END diff --git a/Bacteria/Q08NT1/Q08NT1.dcd b/Bacteria/Q08NT1/Q08NT1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..3352f71e8b9629b4aab8ed08088f035e283d6b81 --- /dev/null +++ b/Bacteria/Q08NT1/Q08NT1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7085c0e7da57134edb5d71582b6da3c0acc274f364d0fdade9c7510c056c9b64 +size 16520276 diff --git a/Bacteria/Q08NT1/top.pdb b/Bacteria/Q08NT1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..60ba76881c24ffdece56733d0286d4920aa710a2 --- /dev/null +++ b/Bacteria/Q08NT1/top.pdb @@ -0,0 +1,135 @@ +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 1 314.844 254.142 244.384 1.00 0.00 C +ATOM 2 CA SER A 2 312.840 252.860 247.359 1.00 0.00 C +ATOM 3 CA HIS A 3 312.293 255.412 250.135 1.00 0.00 C +ATOM 4 CA HIS A 4 309.112 254.339 251.936 1.00 0.00 C +ATOM 5 CA ALA A 5 306.061 252.602 253.416 1.00 0.00 C +ATOM 6 CA CYS A 6 303.710 249.748 252.497 1.00 0.00 C +ATOM 7 CA LEU A 7 300.661 249.342 254.746 1.00 0.00 C +ATOM 8 CA ARG A 8 297.255 249.021 253.070 1.00 0.00 C +ATOM 9 CA VAL A 9 294.945 251.957 252.321 1.00 0.00 C +ATOM 10 CA GLN A 10 293.309 254.253 249.758 1.00 0.00 C +ATOM 11 CA ARG A 11 289.501 254.366 249.754 1.00 0.00 C +ATOM 12 CA SER A 12 286.871 255.171 247.117 1.00 0.00 C +ATOM 13 CA GLN A 13 284.589 252.643 245.409 1.00 0.00 C +ATOM 14 CA GLN A 14 285.833 249.412 243.818 1.00 0.00 C +ATOM 15 CA ARG A 15 286.466 245.812 242.745 1.00 0.00 C +ATOM 16 CA GLY A 16 285.828 242.489 240.993 1.00 0.00 C +ATOM 17 CA GLN A 17 282.984 242.870 238.487 1.00 0.00 C +ATOM 18 CA ASP A 18 282.329 242.907 234.734 1.00 0.00 C +ATOM 19 CA HIS A 19 281.784 239.239 233.861 1.00 0.00 C +ATOM 20 CA GLN A 20 282.627 238.434 230.234 1.00 0.00 C +ATOM 21 CA GLY A 21 283.452 239.803 226.775 1.00 0.00 C +ATOM 22 CA ALA A 22 281.652 242.464 224.727 1.00 0.00 C +ATOM 23 CA ALA A 23 279.535 242.504 221.560 1.00 0.00 C +ATOM 24 CA GLY A 24 276.720 240.466 219.999 1.00 0.00 C +ATOM 25 CA GLY A 25 274.422 242.238 217.530 1.00 0.00 C +ATOM 26 CA ARG A 26 273.312 243.479 214.103 1.00 0.00 C +ATOM 27 CA LEU A 27 270.819 244.940 211.620 1.00 0.00 C +ATOM 28 CA ALA A 28 267.101 244.115 211.739 1.00 0.00 C +ATOM 29 CA GLN A 29 265.760 243.648 215.274 1.00 0.00 C +ATOM 30 CA ASP A 30 267.659 246.019 217.574 1.00 0.00 C +ATOM 31 CA PRO A 31 268.587 249.188 215.673 1.00 0.00 C +ATOM 32 CA ALA A 32 267.820 252.384 217.600 1.00 0.00 C +ATOM 33 CA GLN A 33 267.634 251.818 221.363 1.00 0.00 C +ATOM 34 CA PRO A 34 270.013 250.857 224.179 1.00 0.00 C +ATOM 35 CA ALA A 35 273.596 249.897 225.051 1.00 0.00 C +ATOM 36 CA ALA A 36 274.123 249.797 228.823 1.00 0.00 C +ATOM 37 CA GLN A 37 276.587 247.402 230.471 1.00 0.00 C +ATOM 38 CA GLY A 38 279.398 249.204 232.305 1.00 0.00 C +ATOM 39 CA ARG A 39 282.214 251.501 233.451 1.00 0.00 C +ATOM 40 CA HIS A 40 284.457 253.896 235.387 1.00 0.00 C +ATOM 41 CA LEU A 41 283.637 255.944 238.493 1.00 0.00 C +ATOM 42 CA PRO A 42 280.133 256.132 239.978 1.00 0.00 C +ATOM 43 CA HIS A 43 278.025 253.898 242.231 1.00 0.00 C +ATOM 44 CA GLY A 44 279.313 250.315 242.383 1.00 0.00 C +ATOM 45 CA ARG A 45 278.587 246.657 243.161 1.00 0.00 C +ATOM 46 CA ALA A 46 275.921 246.353 245.866 1.00 0.00 C +ATOM 47 CA ARG A 47 275.958 248.975 248.630 1.00 0.00 C +ATOM 48 CA PRO A 48 278.595 248.050 251.219 1.00 0.00 C +ATOM 49 CA GLY A 49 281.007 247.357 254.086 1.00 0.00 C +ATOM 50 CA ARG A 50 281.136 245.568 257.447 1.00 0.00 C +ATOM 51 CA ARG A 51 283.382 246.831 260.254 1.00 0.00 C +ATOM 52 CA GLN A 52 283.560 249.443 263.022 1.00 0.00 C +ATOM 53 CA PRO A 53 282.794 253.082 263.852 1.00 0.00 C +ATOM 54 CA GLY A 54 283.753 256.096 261.728 1.00 0.00 C +ATOM 55 CA GLY A 55 285.959 258.315 259.554 1.00 0.00 C +ATOM 56 CA GLY A 56 284.297 260.025 256.583 1.00 0.00 C +ATOM 57 CA ALA A 57 280.493 260.021 256.374 1.00 0.00 C +ATOM 58 CA GLN A 58 277.081 258.326 256.310 1.00 0.00 C +ATOM 59 CA GLY A 59 275.276 256.391 253.569 1.00 0.00 C +ATOM 60 CA GLY A 60 271.947 254.595 253.108 1.00 0.00 C +ATOM 61 CA ARG A 61 271.161 252.218 250.236 1.00 0.00 C +ATOM 62 CA GLY A 62 268.135 250.227 251.417 1.00 0.00 C +ATOM 63 CA GLY A 63 265.656 249.889 254.291 1.00 0.00 C +ATOM 64 CA ALA A 64 263.100 248.401 256.693 1.00 0.00 C +ATOM 65 CA ARG A 65 259.584 248.259 255.232 1.00 0.00 C +ATOM 66 CA ARG A 66 257.090 249.208 257.950 1.00 0.00 C +ATOM 67 CA ALA A 67 254.720 246.675 259.526 1.00 0.00 C +ATOM 68 CA ARG A 68 256.565 244.837 262.307 1.00 0.00 C +ATOM 69 CA HIS A 69 254.794 245.936 265.497 1.00 0.00 C +ATOM 70 CA ARG A 70 253.295 243.853 268.313 1.00 0.00 C +ATOM 71 CA PRO A 71 252.152 240.974 270.531 1.00 0.00 C +ATOM 72 CA ALA A 72 253.738 237.601 269.743 1.00 0.00 C +ATOM 73 CA GLN A 73 252.684 236.589 266.224 1.00 0.00 C +ATOM 74 CA ASP A 74 251.454 236.857 262.628 1.00 0.00 C +ATOM 75 CA GLY A 75 251.146 237.017 258.833 1.00 0.00 C +ATOM 76 CA ALA A 76 250.691 234.090 256.437 1.00 0.00 C +ATOM 77 CA ARG A 77 248.327 231.114 256.702 1.00 0.00 C +ATOM 78 CA PRO A 78 244.669 230.184 257.221 1.00 0.00 C +ATOM 79 CA ARG A 79 242.651 229.355 254.097 1.00 0.00 C +ATOM 80 CA HIS A 80 239.002 229.530 255.178 1.00 0.00 C +ATOM 81 CA HIS A 81 235.939 228.570 257.230 1.00 0.00 C +ATOM 82 CA ARG A 82 232.331 229.536 256.477 1.00 0.00 C +ATOM 83 CA GLY A 83 231.842 233.264 257.088 1.00 0.00 C +ATOM 84 CA HIS A 84 231.428 236.267 254.779 1.00 0.00 C +ATOM 85 CA ARG A 85 232.392 239.650 256.242 1.00 0.00 C +ATOM 86 CA HIS A 86 235.323 239.694 258.676 1.00 0.00 C +ATOM 87 CA HIS A 87 238.717 241.234 259.468 1.00 0.00 C +ATOM 88 CA HIS A 88 239.160 244.987 259.954 1.00 0.00 C +ATOM 89 CA ALA A 89 239.382 248.730 259.279 1.00 0.00 C +ATOM 90 CA PRO A 90 236.205 250.492 260.428 1.00 0.00 C +ATOM 91 CA ALA A 91 234.904 253.950 259.499 1.00 0.00 C +ATOM 92 CA ARG A 92 234.005 257.595 260.148 1.00 0.00 C +ATOM 93 CA HIS A 93 232.997 261.102 259.050 1.00 0.00 C +ATOM 94 CA ALA A 94 229.521 261.860 257.686 1.00 0.00 C +ATOM 95 CA ALA A 95 225.900 262.585 256.749 1.00 0.00 C +ATOM 96 CA GLY A 96 223.551 262.093 253.790 1.00 0.00 C +ATOM 97 CA ARG A 97 221.767 264.228 251.187 1.00 0.00 C +ATOM 98 CA GLY A 98 218.205 263.251 250.250 1.00 0.00 C +ATOM 99 CA ARG A 99 217.589 259.700 249.015 1.00 0.00 C +ATOM 100 CA HIS A 100 220.323 257.567 250.595 1.00 0.00 C +ATOM 101 CA PRO A 101 218.700 255.733 253.514 1.00 0.00 C +ATOM 102 CA GLY A 102 216.065 256.024 256.251 1.00 0.00 C +ATOM 103 CA GLY A 103 213.944 258.587 258.107 1.00 0.00 C +ATOM 104 CA VAL A 104 213.499 261.870 256.225 1.00 0.00 C +ATOM 105 CA ALA A 105 211.898 261.486 252.789 1.00 0.00 C +ATOM 106 CA HIS A 106 208.096 261.611 252.564 1.00 0.00 C +ATOM 107 CA ARG A 107 206.949 258.649 250.460 1.00 0.00 C +ATOM 108 CA ALA A 108 207.478 255.500 252.539 1.00 0.00 C +ATOM 109 CA GLY A 109 206.443 256.213 256.136 1.00 0.00 C +ATOM 110 CA GLY A 110 209.157 254.808 258.412 1.00 0.00 C +ATOM 111 CA PRO A 111 207.546 254.186 261.808 1.00 0.00 C +ATOM 112 CA GLY A 112 207.468 252.087 264.986 1.00 0.00 C +ATOM 113 CA GLY A 113 204.911 252.546 267.773 1.00 0.00 C +ATOM 114 CA GLU A 114 202.414 255.167 266.586 1.00 0.00 C +ATOM 115 CA GLY A 115 200.083 258.128 267.149 1.00 0.00 C +ATOM 116 CA ALA A 116 196.508 259.441 267.231 1.00 0.00 C +ATOM 117 CA LEU A 117 193.003 260.307 266.014 1.00 0.00 C +ATOM 118 CA GLN A 118 189.370 259.676 265.053 1.00 0.00 C +ATOM 119 CA ALA A 119 186.741 258.153 262.755 1.00 0.00 C +ATOM 120 CA HIS A 120 184.920 255.027 261.561 1.00 0.00 C +ATOM 121 CA PRO A 121 183.514 251.617 260.607 1.00 0.00 C +ATOM 122 CA VAL A 122 181.910 249.987 257.559 1.00 0.00 C +ATOM 123 CA ARG A 123 181.005 247.770 254.596 1.00 0.00 C +ATOM 124 CA HIS A 124 180.006 249.819 251.543 1.00 0.00 C +ATOM 125 CA GLN A 125 179.253 253.553 251.583 1.00 0.00 C +ATOM 126 CA ALA A 126 178.178 257.197 251.289 1.00 0.00 C +ATOM 127 CA ALA A 127 180.470 259.386 253.402 1.00 0.00 C +ATOM 128 CA GLY A 128 181.233 258.671 257.066 1.00 0.00 C +ATOM 129 CA GLU A 129 178.308 259.767 259.249 1.00 0.00 C +ATOM 130 CA ARG A 130 178.786 260.446 262.967 1.00 0.00 C +ATOM 131 CA GLY A 131 180.489 262.409 265.753 1.00 0.00 C +TER 132 GLY A 131 +END diff --git a/Bacteria/Q08PL9/Q08PL9.dcd b/Bacteria/Q08PL9/Q08PL9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e2d5c958380f3a365df4d486cd8953516270af66 --- /dev/null +++ b/Bacteria/Q08PL9/Q08PL9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ad845c1a147b66321896195a767b1b08c89fdce9afd80f9b82c9fdfd4a95d9c7 +size 5600276 diff --git a/Bacteria/Q08PL9/top.pdb b/Bacteria/Q08PL9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8a2e71482ddcdd1894584853b5fce40021358226 --- /dev/null +++ b/Bacteria/Q08PL9/top.pdb @@ -0,0 +1,44 @@ +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 1 234.193 265.769 234.851 1.00 0.00 C +ATOM 2 CA LYS A 2 237.661 266.596 236.194 1.00 0.00 C +ATOM 3 CA ASN A 3 239.297 267.395 239.541 1.00 0.00 C +ATOM 4 CA ALA A 4 242.137 269.437 241.051 1.00 0.00 C +ATOM 5 CA ALA A 5 245.194 267.397 242.057 1.00 0.00 C +ATOM 6 CA ALA A 6 244.426 263.683 241.701 1.00 0.00 C +ATOM 7 CA GLN A 7 244.602 260.202 240.162 1.00 0.00 C +ATOM 8 CA GLN A 8 241.727 258.398 238.430 1.00 0.00 C +ATOM 9 CA LYS A 9 238.573 258.487 240.565 1.00 0.00 C +ATOM 10 CA LEU A 10 237.648 257.199 244.029 1.00 0.00 C +ATOM 11 CA GLU A 11 240.346 255.780 246.314 1.00 0.00 C +ATOM 12 CA ARG A 12 243.975 256.821 245.800 1.00 0.00 C +ATOM 13 CA LEU A 13 247.088 258.839 246.669 1.00 0.00 C +ATOM 14 CA ARG A 14 248.756 258.006 249.992 1.00 0.00 C +ATOM 15 CA GLU A 15 251.088 260.129 252.130 1.00 0.00 C +ATOM 16 CA LEU A 16 253.685 262.860 252.689 1.00 0.00 C +ATOM 17 CA GLY A 17 257.409 262.062 252.794 1.00 0.00 C +ATOM 18 CA ALA A 18 258.278 259.206 255.161 1.00 0.00 C +ATOM 19 CA ASN A 19 260.612 256.547 253.747 1.00 0.00 C +ATOM 20 CA ALA A 20 259.818 254.887 250.411 1.00 0.00 C +ATOM 21 CA VAL A 21 256.194 255.675 249.539 1.00 0.00 C +ATOM 22 CA SER A 22 253.807 253.678 251.736 1.00 0.00 C +ATOM 23 CA THR A 23 253.621 249.975 250.857 1.00 0.00 C +ATOM 24 CA SER A 24 253.846 247.143 253.395 1.00 0.00 C +ATOM 25 CA GLU A 25 255.786 245.423 256.187 1.00 0.00 C +ATOM 26 CA GLN A 26 254.904 243.346 259.257 1.00 0.00 C +ATOM 27 CA SER A 27 256.944 241.116 261.578 1.00 0.00 C +ATOM 28 CA ARG A 28 255.928 238.125 263.708 1.00 0.00 C +ATOM 29 CA LYS A 29 252.344 236.923 264.183 1.00 0.00 C +ATOM 30 CA LYS A 30 249.293 238.991 263.217 1.00 0.00 C +ATOM 31 CA GLU A 31 247.709 240.655 260.178 1.00 0.00 C +ATOM 32 CA LYS A 32 248.769 238.965 256.932 1.00 0.00 C +ATOM 33 CA ASN A 33 248.909 235.446 255.479 1.00 0.00 C +ATOM 34 CA VAL A 34 247.935 232.233 253.678 1.00 0.00 C +ATOM 35 CA THR A 35 248.016 229.571 250.953 1.00 0.00 C +ATOM 36 CA PRO A 36 251.670 229.438 249.885 1.00 0.00 C +ATOM 37 CA ALA A 37 254.820 231.518 249.362 1.00 0.00 C +ATOM 38 CA ARG A 38 258.416 231.285 250.599 1.00 0.00 C +ATOM 39 CA MET A 39 261.953 231.211 249.184 1.00 0.00 C +ATOM 40 CA ARG A 40 262.623 229.582 245.806 1.00 0.00 C +TER 41 ARG A 40 +END diff --git a/Bacteria/Q08QA8/Q08QA8.dcd b/Bacteria/Q08QA8/Q08QA8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..2b07f440c7e57f37d1cffac46bc979d951d4161a --- /dev/null +++ b/Bacteria/Q08QA8/Q08QA8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:35faccdbaf78bd171249d605eab62436fccfb6343fb041c609c6d0ec76da505b +size 8120276 diff --git a/Bacteria/Q08QA8/top.pdb b/Bacteria/Q08QA8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7ee9af1c82166fbb84947f1e98bb6f15aa93a727 --- /dev/null +++ b/Bacteria/Q08QA8/top.pdb @@ -0,0 +1,65 @@ +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 1 235.939 256.268 264.512 1.00 0.00 C +ATOM 2 CA GLN A 2 235.130 258.143 261.296 1.00 0.00 C +ATOM 3 CA ALA A 3 235.750 258.338 257.542 1.00 0.00 C +ATOM 4 CA PRO A 4 235.679 255.758 254.739 1.00 0.00 C +ATOM 5 CA SER A 5 236.773 254.600 251.278 1.00 0.00 C +ATOM 6 CA THR A 6 234.914 256.481 248.537 1.00 0.00 C +ATOM 7 CA PRO A 7 235.267 259.845 246.783 1.00 0.00 C +ATOM 8 CA SER A 8 233.217 260.433 243.626 1.00 0.00 C +ATOM 9 CA THR A 9 231.467 263.809 243.390 1.00 0.00 C +ATOM 10 CA THR A 10 233.911 266.731 243.322 1.00 0.00 C +ATOM 11 CA SER A 11 236.657 265.994 240.786 1.00 0.00 C +ATOM 12 CA PRO A 12 238.163 265.901 237.288 1.00 0.00 C +ATOM 13 CA PRO A 13 241.649 264.367 237.370 1.00 0.00 C +ATOM 14 CA THR A 14 243.553 261.311 238.617 1.00 0.00 C +ATOM 15 CA PRO A 15 243.916 257.526 238.846 1.00 0.00 C +ATOM 16 CA GLU A 16 247.669 256.871 238.783 1.00 0.00 C +ATOM 17 CA GLY A 17 250.852 257.864 236.941 1.00 0.00 C +ATOM 18 CA SER A 18 254.153 256.030 236.430 1.00 0.00 C +ATOM 19 CA THR A 19 256.248 253.603 234.373 1.00 0.00 C +ATOM 20 CA THR A 20 259.965 253.116 235.057 1.00 0.00 C +ATOM 21 CA THR A 21 261.842 255.446 237.415 1.00 0.00 C +ATOM 22 CA GLN A 22 259.652 255.737 240.519 1.00 0.00 C +ATOM 23 CA GLU A 23 256.792 257.968 241.685 1.00 0.00 C +ATOM 24 CA SER A 24 257.362 260.692 244.287 1.00 0.00 C +ATOM 25 CA THR A 25 254.594 260.949 246.892 1.00 0.00 C +ATOM 26 CA SER A 26 251.065 259.640 247.483 1.00 0.00 C +ATOM 27 CA THR A 27 247.577 258.187 246.993 1.00 0.00 C +ATOM 28 CA ALA A 28 246.867 254.483 246.454 1.00 0.00 C +ATOM 29 CA LYS A 29 246.699 252.021 243.551 1.00 0.00 C +ATOM 30 CA ALA A 30 245.854 248.469 242.464 1.00 0.00 C +ATOM 31 CA GLU A 31 246.342 245.007 240.950 1.00 0.00 C +ATOM 32 CA ALA A 32 249.270 242.898 242.176 1.00 0.00 C +ATOM 33 CA THR A 33 248.741 239.138 242.485 1.00 0.00 C +ATOM 34 CA PRO A 34 248.476 236.163 244.850 1.00 0.00 C +ATOM 35 CA ILE A 35 250.974 233.695 246.329 1.00 0.00 C +ATOM 36 CA VAL A 36 254.387 234.275 247.921 1.00 0.00 C +ATOM 37 CA TRP A 37 254.541 233.460 251.639 1.00 0.00 C +ATOM 38 CA PRO A 38 253.232 230.778 254.007 1.00 0.00 C +ATOM 39 CA ARG A 39 255.230 230.470 257.236 1.00 0.00 C +ATOM 40 CA ASP A 40 254.275 230.734 260.915 1.00 0.00 C +ATOM 41 CA LEU A 41 252.226 228.774 263.460 1.00 0.00 C +ATOM 42 CA ASN A 42 248.447 228.326 263.637 1.00 0.00 C +ATOM 43 CA LEU A 43 246.097 229.849 261.053 1.00 0.00 C +ATOM 44 CA PRO A 44 244.125 232.608 259.316 1.00 0.00 C +ATOM 45 CA THR A 45 244.852 236.335 259.004 1.00 0.00 C +ATOM 46 CA SER A 46 248.452 237.314 258.229 1.00 0.00 C +ATOM 47 CA GLY A 47 251.813 239.102 258.073 1.00 0.00 C +ATOM 48 CA GLU A 48 254.929 239.984 256.065 1.00 0.00 C +ATOM 49 CA LEU A 49 258.612 239.501 255.222 1.00 0.00 C +ATOM 50 CA THR A 50 261.639 241.778 255.632 1.00 0.00 C +ATOM 51 CA TRP A 51 260.309 245.174 256.734 1.00 0.00 C +ATOM 52 CA GLY A 52 259.014 248.729 256.283 1.00 0.00 C +ATOM 53 CA PHE A 53 256.805 249.455 259.301 1.00 0.00 C +ATOM 54 CA ASP A 54 257.533 251.891 262.138 1.00 0.00 C +ATOM 55 CA PRO A 55 258.763 254.662 264.446 1.00 0.00 C +ATOM 56 CA GLU A 56 261.893 256.699 265.201 1.00 0.00 C +ATOM 57 CA GLY A 57 264.195 256.176 262.210 1.00 0.00 C +ATOM 58 CA LEU A 58 263.859 254.498 258.806 1.00 0.00 C +ATOM 59 CA GLN A 59 263.755 255.936 255.279 1.00 0.00 C +ATOM 60 CA ASP A 60 264.329 258.130 252.218 1.00 0.00 C +ATOM 61 CA GLY A 61 263.709 261.878 251.930 1.00 0.00 C +TER 62 GLY A 61 +END diff --git a/Bacteria/Q08QB6/Q08QB6.dcd b/Bacteria/Q08QB6/Q08QB6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..0e795ce1adf02264c3c4ae4e34ff51b1949a1d67 --- /dev/null +++ b/Bacteria/Q08QB6/Q08QB6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7b5b992f3bbed4739d70d4bc38a098fd46ec3ace8237ef90f79f582aa3ea7891 +size 5120276 diff --git a/Bacteria/Q08QB6/top.pdb b/Bacteria/Q08QB6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..08b1e6b0888b69b3c2b08f7223469792191a8d0b --- /dev/null +++ b/Bacteria/Q08QB6/top.pdb @@ -0,0 +1,40 @@ +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 1 273.034 259.756 235.782 1.00 0.00 C +ATOM 2 CA ARG A 2 271.007 262.248 237.831 1.00 0.00 C +ATOM 3 CA GLU A 3 267.238 262.693 237.494 1.00 0.00 C +ATOM 4 CA ARG A 4 263.588 263.335 236.609 1.00 0.00 C +ATOM 5 CA TYR A 5 260.972 261.375 238.566 1.00 0.00 C +ATOM 6 CA ARG A 6 258.226 259.175 237.104 1.00 0.00 C +ATOM 7 CA VAL A 7 259.973 257.074 234.449 1.00 0.00 C +ATOM 8 CA HIS A 8 263.634 257.839 233.722 1.00 0.00 C +ATOM 9 CA LEU A 9 266.059 255.620 235.649 1.00 0.00 C +ATOM 10 CA GLU A 10 266.369 255.909 239.435 1.00 0.00 C +ATOM 11 CA LEU A 11 266.146 252.712 241.495 1.00 0.00 C +ATOM 12 CA GLY A 12 262.959 252.150 243.506 1.00 0.00 C +ATOM 13 CA SER A 13 260.148 251.358 241.059 1.00 0.00 C +ATOM 14 CA PRO A 14 258.170 248.220 241.929 1.00 0.00 C +ATOM 15 CA LYS A 15 254.616 247.796 243.236 1.00 0.00 C +ATOM 16 CA SER A 16 253.575 245.495 246.088 1.00 0.00 C +ATOM 17 CA LYS A 17 255.848 243.713 248.573 1.00 0.00 C +ATOM 18 CA GLY A 18 254.261 241.374 251.128 1.00 0.00 C +ATOM 19 CA SER A 19 250.937 241.612 252.975 1.00 0.00 C +ATOM 20 CA GLY A 20 249.065 238.756 254.664 1.00 0.00 C +ATOM 21 CA ILE A 21 251.114 235.545 254.566 1.00 0.00 C +ATOM 22 CA SER A 22 250.441 233.673 257.815 1.00 0.00 C +ATOM 23 CA THR A 23 248.559 233.643 261.127 1.00 0.00 C +ATOM 24 CA SER A 24 246.696 236.963 261.278 1.00 0.00 C +ATOM 25 CA VAL A 25 244.960 239.275 263.759 1.00 0.00 C +ATOM 26 CA PRO A 26 242.938 242.408 264.539 1.00 0.00 C +ATOM 27 CA ASP A 27 242.084 244.544 261.502 1.00 0.00 C +ATOM 28 CA PRO A 28 240.295 247.907 261.568 1.00 0.00 C +ATOM 29 CA LEU A 29 236.918 249.363 262.564 1.00 0.00 C +ATOM 30 CA VAL A 30 233.379 248.357 263.554 1.00 0.00 C +ATOM 31 CA ASP A 31 230.812 250.801 262.157 1.00 0.00 C +ATOM 32 CA GLU A 32 229.649 254.389 261.619 1.00 0.00 C +ATOM 33 CA PRO A 33 226.425 255.588 259.981 1.00 0.00 C +ATOM 34 CA LEU A 34 223.468 256.359 257.705 1.00 0.00 C +ATOM 35 CA ALA A 35 219.824 255.762 256.765 1.00 0.00 C +ATOM 36 CA LEU A 36 216.611 257.212 258.208 1.00 0.00 C +TER 37 LEU A 36 +END diff --git a/Bacteria/Q08QI9/Q08QI9.dcd b/Bacteria/Q08QI9/Q08QI9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..4510a620748ce120fd1b5bf0ed2e70f3ce872017 --- /dev/null +++ b/Bacteria/Q08QI9/Q08QI9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dbdbfcdece63327c8d820e6037de833c841f8dd970bf82ea75883cbb2bf1c3ba +size 5240276 diff --git a/Bacteria/Q08QI9/top.pdb b/Bacteria/Q08QI9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..063ae2e3067d742b41b7c10de6d2e3a40dfbc136 --- /dev/null +++ b/Bacteria/Q08QI9/top.pdb @@ -0,0 +1,41 @@ +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 1 222.515 269.052 265.496 1.00 0.00 C +ATOM 2 CA ALA A 2 225.613 268.314 263.405 1.00 0.00 C +ATOM 3 CA ALA A 3 228.575 266.691 265.169 1.00 0.00 C +ATOM 4 CA ALA A 4 231.124 264.089 266.287 1.00 0.00 C +ATOM 5 CA TYR A 5 234.235 262.505 264.762 1.00 0.00 C +ATOM 6 CA ALA A 6 234.443 262.372 260.960 1.00 0.00 C +ATOM 7 CA SER A 7 237.558 263.963 259.449 1.00 0.00 C +ATOM 8 CA ASN A 8 240.090 265.156 256.864 1.00 0.00 C +ATOM 9 CA PRO A 9 243.843 265.802 256.764 1.00 0.00 C +ATOM 10 CA THR A 10 245.484 266.109 253.339 1.00 0.00 C +ATOM 11 CA VAL A 11 246.997 263.139 251.494 1.00 0.00 C +ATOM 12 CA ARG A 12 249.668 260.962 253.119 1.00 0.00 C +ATOM 13 CA TRP A 13 250.702 257.842 251.193 1.00 0.00 C +ATOM 14 CA GLU A 14 250.985 255.037 253.756 1.00 0.00 C +ATOM 15 CA MET A 15 252.472 251.556 253.326 1.00 0.00 C +ATOM 16 CA ASN A 16 251.527 248.197 254.857 1.00 0.00 C +ATOM 17 CA SER A 17 252.423 244.994 252.998 1.00 0.00 C +ATOM 18 CA ARG A 18 252.324 241.253 252.286 1.00 0.00 C +ATOM 19 CA ALA A 19 253.344 239.141 249.284 1.00 0.00 C +ATOM 20 CA SER A 20 254.537 235.698 248.171 1.00 0.00 C +ATOM 21 CA THR A 21 254.879 232.489 246.145 1.00 0.00 C +ATOM 22 CA ARG A 22 258.228 230.797 246.809 1.00 0.00 C +ATOM 23 CA PRO A 23 261.544 231.736 248.433 1.00 0.00 C +ATOM 24 CA GLY A 24 264.553 233.119 246.550 1.00 0.00 C +ATOM 25 CA ASN A 25 265.402 231.512 243.201 1.00 0.00 C +ATOM 26 CA LEU A 26 264.449 233.660 240.202 1.00 0.00 C +ATOM 27 CA ALA A 27 263.786 236.478 237.725 1.00 0.00 C +ATOM 28 CA SER A 28 260.149 236.195 236.625 1.00 0.00 C +ATOM 29 CA SER A 29 257.363 238.615 237.576 1.00 0.00 C +ATOM 30 CA SER A 30 258.125 239.584 241.181 1.00 0.00 C +ATOM 31 CA SER A 31 259.293 242.242 243.648 1.00 0.00 C +ATOM 32 CA LYS A 32 256.935 245.233 243.535 1.00 0.00 C +ATOM 33 CA ALA A 33 254.242 247.042 241.537 1.00 0.00 C +ATOM 34 CA LEU A 34 253.860 250.115 239.317 1.00 0.00 C +ATOM 35 CA PRO A 35 254.417 253.367 241.223 1.00 0.00 C +ATOM 36 CA SER A 36 251.809 256.145 241.244 1.00 0.00 C +ATOM 37 CA PRO A 37 252.510 259.798 242.069 1.00 0.00 C +TER 38 PRO A 37 +END diff --git a/Bacteria/Q08QK9/Q08QK9.dcd b/Bacteria/Q08QK9/Q08QK9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d078143ee2e35f3e60ad4d30207bccbf3fb942c8 --- /dev/null +++ b/Bacteria/Q08QK9/Q08QK9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bc601d30cabc75e04cdc80ae01626956783cb4af0693b2db3faa810e0cd03273 +size 14360276 diff --git a/Bacteria/Q08QK9/top.pdb b/Bacteria/Q08QK9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7d0dba6d560685f6b9f7e0c25b7df3516aec9cba --- /dev/null +++ b/Bacteria/Q08QK9/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 1 283.793 251.297 266.076 1.00 0.00 C +ATOM 2 CA PRO A 2 285.341 251.524 269.550 1.00 0.00 C +ATOM 3 CA ARG A 3 285.241 255.195 270.567 1.00 0.00 C +ATOM 4 CA GLY A 4 283.995 255.376 274.163 1.00 0.00 C +ATOM 5 CA ASP A 5 282.168 253.407 276.865 1.00 0.00 C +ATOM 6 CA LYS A 6 283.254 252.706 280.449 1.00 0.00 C +ATOM 7 CA SER A 7 281.608 250.193 282.792 1.00 0.00 C +ATOM 8 CA LYS A 8 284.111 247.411 283.513 1.00 0.00 C +ATOM 9 CA TYR A 9 287.699 248.406 282.704 1.00 0.00 C +ATOM 10 CA THR A 10 291.122 249.853 281.867 1.00 0.00 C +ATOM 11 CA ASP A 11 293.613 247.040 281.233 1.00 0.00 C +ATOM 12 CA LYS A 12 293.613 244.056 278.865 1.00 0.00 C +ATOM 13 CA GLN A 13 290.755 241.591 278.340 1.00 0.00 C +ATOM 14 CA LYS A 14 287.130 241.026 279.364 1.00 0.00 C +ATOM 15 CA ARG A 15 284.434 243.454 278.201 1.00 0.00 C +ATOM 16 CA ARG A 16 285.124 245.680 275.187 1.00 0.00 C +ATOM 17 CA ALA A 17 284.567 244.620 271.570 1.00 0.00 C +ATOM 18 CA GLU A 18 282.006 245.044 268.782 1.00 0.00 C +ATOM 19 CA HIS A 19 282.881 244.813 265.080 1.00 0.00 C +ATOM 20 CA ILE A 20 284.100 245.041 261.478 1.00 0.00 C +ATOM 21 CA ALA A 21 281.945 242.777 259.300 1.00 0.00 C +ATOM 22 CA GLU A 22 280.408 242.520 255.823 1.00 0.00 C +ATOM 23 CA GLY A 23 279.252 242.529 252.192 1.00 0.00 C +ATOM 24 CA TYR A 24 276.340 242.562 249.736 1.00 0.00 C +ATOM 25 CA THR A 25 272.845 241.077 250.048 1.00 0.00 C +ATOM 26 CA GLU A 26 269.917 240.609 252.441 1.00 0.00 C +ATOM 27 CA ARG A 27 270.867 241.963 255.873 1.00 0.00 C +ATOM 28 CA GLY A 28 267.977 241.059 258.186 1.00 0.00 C +ATOM 29 CA THR A 29 264.172 240.969 258.352 1.00 0.00 C +ATOM 30 CA ASP A 30 260.883 239.599 259.702 1.00 0.00 C +ATOM 31 CA GLU A 31 259.308 239.211 263.150 1.00 0.00 C +ATOM 32 CA LYS A 32 258.132 241.147 266.214 1.00 0.00 C +ATOM 33 CA GLU A 33 260.009 244.133 267.653 1.00 0.00 C +ATOM 34 CA ALA A 34 263.230 245.966 268.538 1.00 0.00 C +ATOM 35 CA LYS A 35 263.382 249.352 270.279 1.00 0.00 C +ATOM 36 CA ARG A 36 260.628 251.734 271.399 1.00 0.00 C +ATOM 37 CA ARG A 37 256.973 252.684 270.900 1.00 0.00 C +ATOM 38 CA ALA A 38 254.098 255.059 271.683 1.00 0.00 C +ATOM 39 CA TRP A 39 253.269 258.345 269.943 1.00 0.00 C +ATOM 40 CA ALA A 40 252.679 262.000 270.842 1.00 0.00 C +ATOM 41 CA THR A 41 251.657 265.299 272.451 1.00 0.00 C +ATOM 42 CA VAL A 42 248.290 265.317 274.233 1.00 0.00 C +ATOM 43 CA ASN A 43 246.110 262.260 273.588 1.00 0.00 C +ATOM 44 CA ALA A 44 243.074 261.532 271.404 1.00 0.00 C +ATOM 45 CA GLU A 45 240.522 262.764 268.856 1.00 0.00 C +ATOM 46 CA SER A 46 238.992 264.449 265.801 1.00 0.00 C +ATOM 47 CA HIS A 47 238.801 265.289 262.090 1.00 0.00 C +ATOM 48 CA GLY A 48 238.917 267.586 259.052 1.00 0.00 C +ATOM 49 CA GLY A 49 236.333 266.167 256.638 1.00 0.00 C +ATOM 50 CA GLU A 50 234.379 263.383 258.355 1.00 0.00 C +ATOM 51 CA LYS A 51 231.604 260.968 257.364 1.00 0.00 C +ATOM 52 CA PRO A 52 230.146 257.508 258.010 1.00 0.00 C +ATOM 53 CA GLY A 53 226.348 257.781 258.133 1.00 0.00 C +ATOM 54 CA GLY A 54 223.189 255.657 258.281 1.00 0.00 C +ATOM 55 CA SER A 55 219.610 254.805 257.291 1.00 0.00 C +ATOM 56 CA GLY A 56 218.393 251.312 256.380 1.00 0.00 C +ATOM 57 CA TYR A 57 220.816 249.049 254.502 1.00 0.00 C +ATOM 58 CA GLY A 58 221.231 245.262 254.426 1.00 0.00 C +ATOM 59 CA LYS A 59 218.059 243.288 253.678 1.00 0.00 C +ATOM 60 CA PRO A 60 215.087 245.502 254.561 1.00 0.00 C +ATOM 61 CA GLU A 61 211.452 244.951 253.561 1.00 0.00 C +ATOM 62 CA THR A 62 210.785 247.294 250.631 1.00 0.00 C +ATOM 63 CA HIS A 63 211.087 249.734 247.721 1.00 0.00 C +ATOM 64 CA GLN A 64 214.192 251.923 248.011 1.00 0.00 C +ATOM 65 CA ALA A 65 217.106 254.370 248.212 1.00 0.00 C +ATOM 66 CA SER A 66 218.058 256.241 245.032 1.00 0.00 C +ATOM 67 CA ARG A 67 219.009 254.280 241.908 1.00 0.00 C +ATOM 68 CA ARG A 68 220.741 251.048 240.874 1.00 0.00 C +ATOM 69 CA GLY A 69 219.245 247.593 240.285 1.00 0.00 C +ATOM 70 CA GLY A 70 219.195 243.790 240.498 1.00 0.00 C +ATOM 71 CA LYS A 71 219.697 240.037 240.072 1.00 0.00 C +ATOM 72 CA ARG A 72 219.828 236.682 238.271 1.00 0.00 C +ATOM 73 CA SER A 73 222.120 233.976 236.879 1.00 0.00 C +ATOM 74 CA GLN A 74 224.049 234.788 233.696 1.00 0.00 C +ATOM 75 CA ALA A 75 226.896 232.416 232.811 1.00 0.00 C +ATOM 76 CA GLY A 76 228.813 232.001 236.078 1.00 0.00 C +ATOM 77 CA ARG A 77 228.944 233.635 239.517 1.00 0.00 C +ATOM 78 CA THR A 78 230.094 236.330 241.952 1.00 0.00 C +ATOM 79 CA GLN A 79 232.422 237.715 244.632 1.00 0.00 C +ATOM 80 CA ALA A 80 235.948 236.777 243.535 1.00 0.00 C +ATOM 81 CA GLN A 81 238.079 239.934 243.461 1.00 0.00 C +ATOM 82 CA ARG A 82 240.920 240.491 245.939 1.00 0.00 C +ATOM 83 CA SER A 83 243.446 237.670 245.519 1.00 0.00 C +ATOM 84 CA ALA A 84 245.677 236.698 242.588 1.00 0.00 C +ATOM 85 CA ALA A 85 248.355 236.543 239.882 1.00 0.00 C +ATOM 86 CA ALA A 86 248.969 236.379 236.125 1.00 0.00 C +ATOM 87 CA LYS A 87 250.326 239.567 234.541 1.00 0.00 C +ATOM 88 CA LYS A 88 250.730 239.260 230.765 1.00 0.00 C +ATOM 89 CA ALA A 89 252.937 237.788 228.031 1.00 0.00 C +ATOM 90 CA ALA A 90 252.019 239.469 224.737 1.00 0.00 C +ATOM 91 CA ALA A 91 251.118 240.403 221.155 1.00 0.00 C +ATOM 92 CA THR A 92 249.097 243.357 219.851 1.00 0.00 C +ATOM 93 CA ARG A 93 247.502 245.399 217.057 1.00 0.00 C +ATOM 94 CA LYS A 94 246.520 249.022 216.404 1.00 0.00 C +ATOM 95 CA ARG A 95 245.847 251.583 219.144 1.00 0.00 C +ATOM 96 CA LYS A 96 247.023 255.047 220.208 1.00 0.00 C +ATOM 97 CA THR A 97 247.864 258.470 221.653 1.00 0.00 C +ATOM 98 CA LEU A 98 251.437 258.222 222.952 1.00 0.00 C +ATOM 99 CA GLN A 99 252.964 255.048 221.498 1.00 0.00 C +ATOM 100 CA ARG A 100 253.457 255.806 217.797 1.00 0.00 C +ATOM 101 CA SER A 101 251.292 253.365 215.830 1.00 0.00 C +ATOM 102 CA THR A 102 248.467 255.341 214.209 1.00 0.00 C +ATOM 103 CA ALA A 103 247.245 257.995 211.764 1.00 0.00 C +ATOM 104 CA ALA A 104 246.956 261.788 211.550 1.00 0.00 C +ATOM 105 CA LYS A 105 248.635 263.548 214.482 1.00 0.00 C +ATOM 106 CA ARG A 106 246.345 264.919 217.201 1.00 0.00 C +ATOM 107 CA SER A 107 247.143 266.436 220.603 1.00 0.00 C +ATOM 108 CA ALA A 108 248.651 268.303 223.562 1.00 0.00 C +ATOM 109 CA ALA A 109 246.824 270.959 225.593 1.00 0.00 C +ATOM 110 CA LYS A 110 243.279 270.892 226.987 1.00 0.00 C +ATOM 111 CA ARG A 111 241.626 274.141 228.094 1.00 0.00 C +ATOM 112 CA LYS A 112 238.823 274.925 225.636 1.00 0.00 C +ATOM 113 CA ARG A 113 236.316 277.442 227.012 1.00 0.00 C +TER 114 ARG A 113 +END diff --git a/Bacteria/Q08QU9/Q08QU9.dcd b/Bacteria/Q08QU9/Q08QU9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..abea6f52797989d991abdd5baf065f6fd2fea2bb --- /dev/null +++ b/Bacteria/Q08QU9/Q08QU9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9eeda1459440c5ee142b46aaedf3da8aa893a1224099d96f53b9b4d2b7742d0e +size 5360276 diff --git a/Bacteria/Q08QU9/top.pdb b/Bacteria/Q08QU9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..94fca226112f061f1476bb0743a78684031069f8 --- /dev/null +++ b/Bacteria/Q08QU9/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 1 271.458 257.563 267.386 1.00 0.00 C +ATOM 2 CA ARG A 2 271.671 254.415 269.522 1.00 0.00 C +ATOM 3 CA GLN A 3 270.851 251.564 271.913 1.00 0.00 C +ATOM 4 CA ASP A 4 267.729 249.512 271.162 1.00 0.00 C +ATOM 5 CA ARG A 5 264.194 249.989 269.822 1.00 0.00 C +ATOM 6 CA GLY A 6 264.358 248.730 266.230 1.00 0.00 C +ATOM 7 CA PRO A 7 266.522 246.087 264.542 1.00 0.00 C +ATOM 8 CA ARG A 8 264.969 242.726 263.645 1.00 0.00 C +ATOM 9 CA ARG A 9 261.473 241.280 264.093 1.00 0.00 C +ATOM 10 CA PRO A 10 258.528 241.352 266.510 1.00 0.00 C +ATOM 11 CA VAL A 11 255.653 243.641 267.514 1.00 0.00 C +ATOM 12 CA THR A 12 254.253 247.120 266.839 1.00 0.00 C +ATOM 13 CA PHE A 13 252.423 249.467 269.217 1.00 0.00 C +ATOM 14 CA GLY A 14 249.397 250.965 267.451 1.00 0.00 C +ATOM 15 CA SER A 15 246.460 249.100 265.898 1.00 0.00 C +ATOM 16 CA THR A 16 244.212 247.219 263.464 1.00 0.00 C +ATOM 17 CA LEU A 17 244.291 245.124 260.282 1.00 0.00 C +ATOM 18 CA ARG A 18 245.969 245.473 256.879 1.00 0.00 C +ATOM 19 CA PRO A 19 244.505 244.853 253.417 1.00 0.00 C +ATOM 20 CA GLY A 20 243.848 247.499 250.755 1.00 0.00 C +ATOM 21 CA THR A 21 243.541 245.565 247.487 1.00 0.00 C +ATOM 22 CA ARG A 22 240.161 245.946 245.771 1.00 0.00 C +ATOM 23 CA THR A 23 238.440 245.419 242.413 1.00 0.00 C +ATOM 24 CA SER A 24 240.192 247.034 239.441 1.00 0.00 C +ATOM 25 CA TRP A 25 239.153 248.676 236.163 1.00 0.00 C +ATOM 26 CA LYS A 26 236.823 251.663 235.763 1.00 0.00 C +ATOM 27 CA ASP A 27 236.033 254.079 232.924 1.00 0.00 C +ATOM 28 CA SER A 28 234.000 255.400 229.986 1.00 0.00 C +ATOM 29 CA SER A 29 234.412 254.256 226.375 1.00 0.00 C +ATOM 30 CA LEU A 30 237.040 254.353 223.618 1.00 0.00 C +ATOM 31 CA VAL A 31 240.784 253.654 223.722 1.00 0.00 C +ATOM 32 CA THR A 32 241.613 252.318 227.193 1.00 0.00 C +ATOM 33 CA GLU A 33 245.003 252.098 228.919 1.00 0.00 C +ATOM 34 CA ALA A 34 245.188 253.652 232.393 1.00 0.00 C +ATOM 35 CA ARG A 35 247.483 255.967 234.365 1.00 0.00 C +ATOM 36 CA SER A 36 250.267 258.483 235.024 1.00 0.00 C +ATOM 37 CA GLU A 37 251.993 259.566 231.805 1.00 0.00 C +ATOM 38 CA ASN A 38 255.110 258.192 230.098 1.00 0.00 C +TER 39 ASN A 38 +END diff --git a/Bacteria/Q08RA1/Q08RA1.dcd b/Bacteria/Q08RA1/Q08RA1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..5ca437035b5b8e6cbd486381acddb1c051ab61ae --- /dev/null +++ b/Bacteria/Q08RA1/Q08RA1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:784b0dbbd5be384f1997b9009d48032c0f673fa1229361cabf314776e02257a2 +size 9440276 diff --git a/Bacteria/Q08RA1/top.pdb b/Bacteria/Q08RA1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..6e9980cd3287d9f4029c9107a2e69aea1bb1d3d0 --- /dev/null +++ b/Bacteria/Q08RA1/top.pdb @@ -0,0 +1,76 @@ +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 PRO A 1 235.869 264.347 288.913 1.00 0.00 C +ATOM 2 CA SER A 2 232.147 263.793 288.320 1.00 0.00 C +ATOM 3 CA GLN A 3 228.875 262.066 289.232 1.00 0.00 C +ATOM 4 CA HIS A 4 227.192 258.761 290.104 1.00 0.00 C +ATOM 5 CA PRO A 5 223.594 258.469 288.886 1.00 0.00 C +ATOM 6 CA SER A 6 222.971 261.267 286.377 1.00 0.00 C +ATOM 7 CA GLN A 7 223.472 260.911 282.617 1.00 0.00 C +ATOM 8 CA PRO A 8 221.710 261.837 279.368 1.00 0.00 C +ATOM 9 CA GLN A 9 218.927 263.554 277.414 1.00 0.00 C +ATOM 10 CA GLU A 10 217.580 262.132 274.146 1.00 0.00 C +ATOM 11 CA GLY A 11 219.575 260.412 271.393 1.00 0.00 C +ATOM 12 CA GLN A 12 223.128 260.441 270.018 1.00 0.00 C +ATOM 13 CA VAL A 13 224.273 257.434 267.978 1.00 0.00 C +ATOM 14 CA ARG A 14 223.785 253.863 266.741 1.00 0.00 C +ATOM 15 CA HIS A 15 226.079 252.107 264.257 1.00 0.00 C +ATOM 16 CA ALA A 16 229.588 250.834 263.494 1.00 0.00 C +ATOM 17 CA TRP A 17 230.518 251.264 259.825 1.00 0.00 C +ATOM 18 CA ASN A 18 231.921 254.705 258.981 1.00 0.00 C +ATOM 19 CA GLN A 19 231.521 256.782 255.811 1.00 0.00 C +ATOM 20 CA ALA A 20 230.012 254.573 253.098 1.00 0.00 C +ATOM 21 CA GLN A 21 230.669 253.177 249.614 1.00 0.00 C +ATOM 22 CA ARG A 22 230.391 249.431 248.980 1.00 0.00 C +ATOM 23 CA PRO A 23 231.386 248.977 245.330 1.00 0.00 C +ATOM 24 CA ALA A 24 234.746 248.775 243.546 1.00 0.00 C +ATOM 25 CA GLN A 25 237.048 246.354 245.377 1.00 0.00 C +ATOM 26 CA PRO A 26 238.881 247.824 248.377 1.00 0.00 C +ATOM 27 CA ARG A 27 240.710 245.425 250.703 1.00 0.00 C +ATOM 28 CA ASP A 28 239.009 244.859 254.065 1.00 0.00 C +ATOM 29 CA ASP A 29 240.914 244.615 257.356 1.00 0.00 C +ATOM 30 CA PRO A 30 243.635 247.266 257.063 1.00 0.00 C +ATOM 31 CA GLU A 31 242.758 250.894 257.826 1.00 0.00 C +ATOM 32 CA ARG A 32 246.133 252.637 258.116 1.00 0.00 C +ATOM 33 CA THR A 33 248.309 251.837 255.092 1.00 0.00 C +ATOM 34 CA ARG A 34 250.966 250.275 252.852 1.00 0.00 C +ATOM 35 CA LEU A 35 253.503 248.563 250.584 1.00 0.00 C +ATOM 36 CA ALA A 36 253.157 249.091 246.827 1.00 0.00 C +ATOM 37 CA GLU A 37 250.387 248.802 244.227 1.00 0.00 C +ATOM 38 CA GLU A 38 246.808 249.617 245.250 1.00 0.00 C +ATOM 39 CA LEU A 39 244.731 251.703 242.832 1.00 0.00 C +ATOM 40 CA ARG A 40 241.523 250.484 241.176 1.00 0.00 C +ATOM 41 CA ALA A 41 241.113 250.921 237.414 1.00 0.00 C +ATOM 42 CA ASP A 42 240.407 251.413 233.702 1.00 0.00 C +ATOM 43 CA LEU A 43 241.357 248.278 231.756 1.00 0.00 C +ATOM 44 CA ARG A 44 244.639 246.726 232.913 1.00 0.00 C +ATOM 45 CA ALA A 45 247.361 248.684 231.105 1.00 0.00 C +ATOM 46 CA GLN A 46 249.280 250.686 228.492 1.00 0.00 C +ATOM 47 CA ARG A 47 251.142 249.712 225.313 1.00 0.00 C +ATOM 48 CA ALA A 48 253.357 252.439 223.840 1.00 0.00 C +ATOM 49 CA VAL A 49 256.579 252.974 225.802 1.00 0.00 C +ATOM 50 CA VAL A 50 259.633 250.836 226.588 1.00 0.00 C +ATOM 51 CA PRO A 51 259.882 247.037 226.730 1.00 0.00 C +ATOM 52 CA LEU A 52 263.070 245.762 228.382 1.00 0.00 C +ATOM 53 CA ARG A 53 266.690 244.734 228.979 1.00 0.00 C +ATOM 54 CA GLY A 54 270.096 243.607 227.696 1.00 0.00 C +ATOM 55 CA HIS A 55 273.008 245.990 228.294 1.00 0.00 C +ATOM 56 CA ALA A 56 275.416 246.540 231.194 1.00 0.00 C +ATOM 57 CA ARG A 57 277.566 245.875 234.269 1.00 0.00 C +ATOM 58 CA ASP A 58 276.994 244.404 237.737 1.00 0.00 C +ATOM 59 CA HIS A 59 275.242 245.361 240.982 1.00 0.00 C +ATOM 60 CA GLU A 60 273.283 247.032 243.790 1.00 0.00 C +ATOM 61 CA PRO A 61 275.060 246.606 247.134 1.00 0.00 C +ATOM 62 CA ARG A 62 278.739 245.832 246.519 1.00 0.00 C +ATOM 63 CA ARG A 63 279.954 243.007 248.768 1.00 0.00 C +ATOM 64 CA HIS A 64 283.327 241.796 247.478 1.00 0.00 C +ATOM 65 CA ARG A 65 284.072 239.354 244.649 1.00 0.00 C +ATOM 66 CA ASP A 66 285.495 241.318 241.711 1.00 0.00 C +ATOM 67 CA ALA A 67 286.597 241.840 238.101 1.00 0.00 C +ATOM 68 CA GLN A 68 288.978 239.598 236.148 1.00 0.00 C +ATOM 69 CA ARG A 69 292.316 239.013 234.407 1.00 0.00 C +ATOM 70 CA GLY A 70 294.446 236.603 236.450 1.00 0.00 C +ATOM 71 CA ASN A 71 293.875 236.218 240.197 1.00 0.00 C +ATOM 72 CA LEU A 72 292.622 239.645 241.296 1.00 0.00 C +TER 73 LEU A 72 +END diff --git a/Bacteria/Q08RK3/Q08RK3.dcd b/Bacteria/Q08RK3/Q08RK3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..4e2e33ab55ebdd3a4f56c6c13682e4ab23794682 --- /dev/null +++ b/Bacteria/Q08RK3/Q08RK3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:406d08a1147343e49170d7225b52c5bb49baa0cd543d2c1a082c2253dba1a2b7 +size 4520276 diff --git a/Bacteria/Q08RK3/top.pdb b/Bacteria/Q08RK3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3b460a4e539e6824635a4cddf147a0dc8463bda1 --- /dev/null +++ b/Bacteria/Q08RK3/top.pdb @@ -0,0 +1,35 @@ +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 1 265.162 250.303 266.897 1.00 0.00 C +ATOM 2 CA PRO A 2 264.992 248.242 270.097 1.00 0.00 C +ATOM 3 CA LYS A 3 263.554 244.911 271.258 1.00 0.00 C +ATOM 4 CA LEU A 4 263.086 241.877 269.001 1.00 0.00 C +ATOM 5 CA ALA A 5 261.659 238.348 268.849 1.00 0.00 C +ATOM 6 CA GLN A 6 258.707 236.304 267.574 1.00 0.00 C +ATOM 7 CA ALA A 7 255.578 238.347 268.313 1.00 0.00 C +ATOM 8 CA ARG A 8 253.988 239.086 264.930 1.00 0.00 C +ATOM 9 CA ARG A 9 252.220 238.198 261.674 1.00 0.00 C +ATOM 10 CA SER A 10 249.228 238.799 259.394 1.00 0.00 C +ATOM 11 CA SER A 11 245.769 237.586 258.354 1.00 0.00 C +ATOM 12 CA ALA A 12 242.470 236.492 256.794 1.00 0.00 C +ATOM 13 CA ALA A 13 238.934 237.717 256.078 1.00 0.00 C +ATOM 14 CA SER A 14 236.541 239.268 253.551 1.00 0.00 C +ATOM 15 CA GLY A 15 235.353 242.799 252.754 1.00 0.00 C +ATOM 16 CA ASN A 16 235.804 246.205 251.108 1.00 0.00 C +ATOM 17 CA THR A 17 236.922 249.791 250.466 1.00 0.00 C +ATOM 18 CA ALA A 18 239.864 251.309 248.582 1.00 0.00 C +ATOM 19 CA ARG A 19 239.340 253.955 245.891 1.00 0.00 C +ATOM 20 CA THR A 20 242.506 254.548 243.856 1.00 0.00 C +ATOM 21 CA SER A 21 245.269 256.303 241.906 1.00 0.00 C +ATOM 22 CA LYS A 22 245.854 258.346 238.743 1.00 0.00 C +ATOM 23 CA ALA A 23 247.020 260.069 235.552 1.00 0.00 C +ATOM 24 CA ARG A 24 248.901 261.737 232.689 1.00 0.00 C +ATOM 25 CA ALA A 25 247.726 265.294 231.996 1.00 0.00 C +ATOM 26 CA SER A 26 248.837 267.260 228.927 1.00 0.00 C +ATOM 27 CA HIS A 27 251.921 266.303 226.906 1.00 0.00 C +ATOM 28 CA PHE A 28 254.935 266.039 229.222 1.00 0.00 C +ATOM 29 CA PRO A 29 257.180 263.885 231.421 1.00 0.00 C +ATOM 30 CA VAL A 30 258.665 260.637 232.749 1.00 0.00 C +ATOM 31 CA ARG A 31 262.013 260.041 234.466 1.00 0.00 C +TER 32 ARG A 31 +END diff --git a/Bacteria/Q08SE3/Q08SE3.dcd b/Bacteria/Q08SE3/Q08SE3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f838150eb270ae1bf81cce24847b20d3484f1238 --- /dev/null +++ b/Bacteria/Q08SE3/Q08SE3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4961cfafb4e76cc5fc9d98593c4a0dfa634395adeccd817c30a6cf09ae8481fc +size 4640276 diff --git a/Bacteria/Q08SE3/top.pdb b/Bacteria/Q08SE3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b7217800c4d411ab967ef4abe06e05ba92d06aa1 --- /dev/null +++ b/Bacteria/Q08SE3/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 MET A 1 279.811 252.909 249.502 1.00 0.00 C +ATOM 2 CA ARG A 2 277.586 250.380 247.723 1.00 0.00 C +ATOM 3 CA ILE A 3 274.113 248.813 247.762 1.00 0.00 C +ATOM 4 CA SER A 4 271.762 249.141 250.742 1.00 0.00 C +ATOM 5 CA VAL A 5 268.299 249.578 252.270 1.00 0.00 C +ATOM 6 CA PRO A 6 265.490 249.690 249.699 1.00 0.00 C +ATOM 7 CA ARG A 7 261.810 250.420 249.034 1.00 0.00 C +ATOM 8 CA PRO A 8 260.334 253.933 249.007 1.00 0.00 C +ATOM 9 CA ALA A 9 261.180 256.825 251.339 1.00 0.00 C +ATOM 10 CA ALA A 10 259.088 258.988 253.675 1.00 0.00 C +ATOM 11 CA ALA A 11 255.347 259.511 254.175 1.00 0.00 C +ATOM 12 CA ALA A 12 254.217 258.207 257.572 1.00 0.00 C +ATOM 13 CA CYS A 13 254.624 254.460 258.131 1.00 0.00 C +ATOM 14 CA SER A 14 252.490 251.842 256.369 1.00 0.00 C +ATOM 15 CA GLN A 15 249.718 249.238 256.607 1.00 0.00 C +ATOM 16 CA LYS A 16 246.267 250.596 257.478 1.00 0.00 C +ATOM 17 CA ARG A 17 244.191 253.614 258.525 1.00 0.00 C +ATOM 18 CA ARG A 18 241.746 256.503 258.084 1.00 0.00 C +ATOM 19 CA THR A 19 239.370 257.461 255.264 1.00 0.00 C +ATOM 20 CA GLU A 20 238.266 255.312 252.318 1.00 0.00 C +ATOM 21 CA GLY A 21 238.455 254.203 248.677 1.00 0.00 C +ATOM 22 CA MET A 22 241.557 252.084 248.045 1.00 0.00 C +ATOM 23 CA ALA A 23 242.982 251.088 244.655 1.00 0.00 C +ATOM 24 CA VAL A 24 240.381 249.391 242.448 1.00 0.00 C +ATOM 25 CA PRO A 25 238.752 246.102 243.469 1.00 0.00 C +ATOM 26 CA ALA A 26 235.147 245.345 244.440 1.00 0.00 C +ATOM 27 CA PRO A 27 232.176 245.140 242.063 1.00 0.00 C +ATOM 28 CA HIS A 28 230.327 241.814 242.248 1.00 0.00 C +ATOM 29 CA SER A 29 231.794 239.194 244.593 1.00 0.00 C +ATOM 30 CA THR A 30 234.829 237.789 246.419 1.00 0.00 C +ATOM 31 CA THR A 31 237.558 235.473 245.114 1.00 0.00 C +ATOM 32 CA ALA A 32 240.332 234.957 242.553 1.00 0.00 C +TER 33 ALA A 32 +END diff --git a/Bacteria/Q08T44/Q08T44.dcd b/Bacteria/Q08T44/Q08T44.dcd new file mode 100644 index 0000000000000000000000000000000000000000..46f12798f70894dab0e9ae7d38470298a40b13d9 --- /dev/null +++ b/Bacteria/Q08T44/Q08T44.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2da4cce9268835f7b0c587a94b0829f0705b4c97728de58596156e676853ba13 +size 5000276 diff --git a/Bacteria/Q08T44/top.pdb b/Bacteria/Q08T44/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a4816b7a06354de240f5893bd924b2c52ca7b6bc --- /dev/null +++ b/Bacteria/Q08T44/top.pdb @@ -0,0 +1,39 @@ +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 1 242.371 246.652 223.973 1.00 0.00 C +ATOM 2 CA PRO A 2 245.520 245.524 222.150 1.00 0.00 C +ATOM 3 CA ALA A 3 246.560 247.995 219.442 1.00 0.00 C +ATOM 4 CA THR A 4 244.153 249.837 217.134 1.00 0.00 C +ATOM 5 CA THR A 5 241.812 251.677 219.511 1.00 0.00 C +ATOM 6 CA PRO A 6 241.650 252.926 223.107 1.00 0.00 C +ATOM 7 CA LYS A 7 244.570 252.339 225.483 1.00 0.00 C +ATOM 8 CA GLU A 8 245.889 250.274 228.400 1.00 0.00 C +ATOM 9 CA ARG A 9 246.314 248.572 231.782 1.00 0.00 C +ATOM 10 CA VAL A 10 246.743 249.952 235.307 1.00 0.00 C +ATOM 11 CA GLY A 11 247.999 249.542 238.880 1.00 0.00 C +ATOM 12 CA MET A 12 248.155 249.430 242.686 1.00 0.00 C +ATOM 13 CA LYS A 13 250.722 247.878 245.034 1.00 0.00 C +ATOM 14 CA SER A 14 253.281 245.890 243.029 1.00 0.00 C +ATOM 15 CA ALA A 15 254.535 242.348 243.656 1.00 0.00 C +ATOM 16 CA SER A 16 255.186 241.373 247.282 1.00 0.00 C +ATOM 17 CA SER A 17 254.305 243.700 250.167 1.00 0.00 C +ATOM 18 CA GLY A 18 253.735 246.999 251.985 1.00 0.00 C +ATOM 19 CA ARG A 19 252.762 249.233 254.914 1.00 0.00 C +ATOM 20 CA PRO A 20 251.290 252.126 256.909 1.00 0.00 C +ATOM 21 CA TRP A 21 252.964 255.547 257.026 1.00 0.00 C +ATOM 22 CA MET A 22 252.715 259.114 258.341 1.00 0.00 C +ATOM 23 CA LEU A 23 255.290 259.720 261.084 1.00 0.00 C +ATOM 24 CA PRO A 24 257.330 258.599 264.100 1.00 0.00 C +ATOM 25 CA PRO A 25 257.748 255.064 265.458 1.00 0.00 C +ATOM 26 CA SER A 26 258.409 252.072 267.722 1.00 0.00 C +ATOM 27 CA MET A 27 258.700 249.970 270.886 1.00 0.00 C +ATOM 28 CA MET A 28 257.113 246.516 271.144 1.00 0.00 C +ATOM 29 CA THR A 29 253.629 244.975 271.125 1.00 0.00 C +ATOM 30 CA TYR A 30 250.111 244.122 272.313 1.00 0.00 C +ATOM 31 CA ASP A 31 246.894 245.922 273.279 1.00 0.00 C +ATOM 32 CA ASP A 32 245.166 248.897 274.915 1.00 0.00 C +ATOM 33 CA ARG A 33 245.599 252.467 276.173 1.00 0.00 C +ATOM 34 CA SER A 34 244.571 254.721 273.278 1.00 0.00 C +ATOM 35 CA GLU A 35 246.210 258.026 272.326 1.00 0.00 C +TER 36 GLU A 35 +END diff --git a/Bacteria/Q08T65/Q08T65.dcd b/Bacteria/Q08T65/Q08T65.dcd new file mode 100644 index 0000000000000000000000000000000000000000..495694a967fd162e81633646e250656a2fa8cb20 --- /dev/null +++ b/Bacteria/Q08T65/Q08T65.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d2be84047b9d5ab0762388c9bd7b85779844bef44882692feccdbc5d8c8ccc9c +size 12920276 diff --git a/Bacteria/Q08T65/top.pdb b/Bacteria/Q08T65/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..47ad81f3d74af3639747de2f2ecefe09afb6cbd7 --- /dev/null +++ b/Bacteria/Q08T65/top.pdb @@ -0,0 +1,105 @@ +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 1 271.849 298.410 224.324 1.00 0.00 C +ATOM 2 CA PRO A 2 273.434 295.276 225.800 1.00 0.00 C +ATOM 3 CA PRO A 3 276.722 293.374 226.097 1.00 0.00 C +ATOM 4 CA ARG A 4 275.784 289.713 225.620 1.00 0.00 C +ATOM 5 CA GLY A 5 277.094 286.601 223.854 1.00 0.00 C +ATOM 6 CA VAL A 6 280.803 285.820 224.239 1.00 0.00 C +ATOM 7 CA LYS A 7 283.425 283.109 224.782 1.00 0.00 C +ATOM 8 CA GLY A 8 282.164 279.689 223.673 1.00 0.00 C +ATOM 9 CA SER A 9 284.173 276.472 223.306 1.00 0.00 C +ATOM 10 CA LYS A 10 286.182 273.405 222.269 1.00 0.00 C +ATOM 11 CA ALA A 11 284.198 270.406 223.527 1.00 0.00 C +ATOM 12 CA LYS A 12 282.369 267.227 222.493 1.00 0.00 C +ATOM 13 CA ARG A 13 279.404 265.472 224.119 1.00 0.00 C +ATOM 14 CA GLN A 14 278.056 263.725 227.225 1.00 0.00 C +ATOM 15 CA TYR A 15 276.712 265.887 230.060 1.00 0.00 C +ATOM 16 CA GLU A 16 275.143 264.171 233.079 1.00 0.00 C +ATOM 17 CA HIS A 17 275.261 260.417 233.715 1.00 0.00 C +ATOM 18 CA ILE A 18 276.196 257.932 236.449 1.00 0.00 C +ATOM 19 CA LYS A 19 276.643 254.311 237.545 1.00 0.00 C +ATOM 20 CA LYS A 20 276.244 254.062 241.326 1.00 0.00 C +ATOM 21 CA SER A 21 273.051 252.507 242.706 1.00 0.00 C +ATOM 22 CA ALA A 22 269.387 252.512 243.749 1.00 0.00 C +ATOM 23 CA GLU A 23 266.406 253.203 246.020 1.00 0.00 C +ATOM 24 CA LYS A 24 265.467 253.403 249.707 1.00 0.00 C +ATOM 25 CA SER A 25 265.835 256.984 250.956 1.00 0.00 C +ATOM 26 CA GLY A 26 269.324 257.644 252.337 1.00 0.00 C +ATOM 27 CA LYS A 27 272.041 260.166 251.454 1.00 0.00 C +ATOM 28 CA GLY A 28 273.196 263.657 250.458 1.00 0.00 C +ATOM 29 CA SER A 29 271.621 266.978 251.463 1.00 0.00 C +ATOM 30 CA ARG A 30 267.936 267.074 250.500 1.00 0.00 C +ATOM 31 CA ALA A 31 267.078 264.094 248.286 1.00 0.00 C +ATOM 32 CA LYS A 32 265.251 263.354 245.026 1.00 0.00 C +ATOM 33 CA GLU A 33 262.732 261.325 243.012 1.00 0.00 C +ATOM 34 CA ILE A 34 262.776 260.500 239.293 1.00 0.00 C +ATOM 35 CA ALA A 35 262.306 257.199 237.449 1.00 0.00 C +ATOM 36 CA ALA A 36 261.564 253.491 236.982 1.00 0.00 C +ATOM 37 CA ARG A 37 258.778 251.574 235.227 1.00 0.00 C +ATOM 38 CA THR A 38 260.120 250.172 231.948 1.00 0.00 C +ATOM 39 CA VAL A 39 261.565 246.647 231.906 1.00 0.00 C +ATOM 40 CA ASN A 40 264.869 246.878 233.788 1.00 0.00 C +ATOM 41 CA LYS A 41 267.037 244.666 236.007 1.00 0.00 C +ATOM 42 CA ALA A 42 264.568 242.568 238.012 1.00 0.00 C +ATOM 43 CA ARG A 43 261.782 243.356 240.488 1.00 0.00 C +ATOM 44 CA ARG A 44 259.665 246.029 242.187 1.00 0.00 C +ATOM 45 CA LYS A 45 256.059 245.044 241.450 1.00 0.00 C +ATOM 46 CA ALA A 46 253.245 243.210 243.248 1.00 0.00 C +ATOM 47 CA GLY A 47 251.948 240.180 241.337 1.00 0.00 C +ATOM 48 CA GLU A 48 249.013 239.339 239.057 1.00 0.00 C +ATOM 49 CA THR A 49 245.908 241.179 237.836 1.00 0.00 C +ATOM 50 CA LYS A 50 242.988 239.467 236.087 1.00 0.00 C +ATOM 51 CA SER A 51 242.341 239.416 232.333 1.00 0.00 C +ATOM 52 CA ALA A 52 243.264 241.308 229.157 1.00 0.00 C +ATOM 53 CA PRO A 53 241.569 239.396 226.331 1.00 0.00 C +ATOM 54 CA ARG A 54 241.647 235.678 225.503 1.00 0.00 C +ATOM 55 CA ARG A 55 238.588 234.240 227.261 1.00 0.00 C +ATOM 56 CA ALA A 56 236.154 233.469 230.090 1.00 0.00 C +ATOM 57 CA ALA A 57 236.056 230.847 232.851 1.00 0.00 C +ATOM 58 CA ALA A 58 237.368 227.272 232.991 1.00 0.00 C +ATOM 59 CA GLY A 59 239.588 225.675 235.644 1.00 0.00 C +ATOM 60 CA LYS A 60 238.275 226.198 239.182 1.00 0.00 C +ATOM 61 CA THR A 61 235.936 225.702 242.148 1.00 0.00 C +ATOM 62 CA SER A 62 232.345 224.429 242.131 1.00 0.00 C +ATOM 63 CA ARG A 63 229.717 222.863 239.860 1.00 0.00 C +ATOM 64 CA LYS A 64 227.118 224.588 237.672 1.00 0.00 C +ATOM 65 CA LYS A 65 224.947 222.530 235.313 1.00 0.00 C +ATOM 66 CA THR A 66 221.162 222.885 235.058 1.00 0.00 C +ATOM 67 CA SER A 67 218.437 225.379 234.126 1.00 0.00 C +ATOM 68 CA THR A 68 215.305 224.268 235.989 1.00 0.00 C +ATOM 69 CA ARG A 69 214.563 222.399 239.225 1.00 0.00 C +ATOM 70 CA THR A 70 217.858 222.182 241.125 1.00 0.00 C +ATOM 71 CA ALA A 71 218.300 222.910 244.839 1.00 0.00 C +ATOM 72 CA ARG A 72 221.612 223.721 246.539 1.00 0.00 C +ATOM 73 CA GLY A 73 223.443 226.517 248.367 1.00 0.00 C +ATOM 74 CA LYS A 74 224.003 230.255 247.886 1.00 0.00 C +ATOM 75 CA THR A 75 222.953 232.939 250.378 1.00 0.00 C +ATOM 76 CA ALA A 76 225.158 232.695 253.475 1.00 0.00 C +ATOM 77 CA SER A 77 227.403 231.893 256.447 1.00 0.00 C +ATOM 78 CA ARG A 78 227.476 234.522 259.204 1.00 0.00 C +ATOM 79 CA SER A 79 229.299 235.784 262.302 1.00 0.00 C +ATOM 80 CA ARG A 80 227.023 235.586 265.351 1.00 0.00 C +ATOM 81 CA SER A 81 228.210 236.460 268.864 1.00 0.00 C +ATOM 82 CA THR A 82 227.438 240.088 269.734 1.00 0.00 C +ATOM 83 CA THR A 83 227.708 242.270 272.846 1.00 0.00 C +ATOM 84 CA GLY A 84 226.361 242.666 276.388 1.00 0.00 C +ATOM 85 CA ARG A 85 228.166 244.106 279.418 1.00 0.00 C +ATOM 86 CA ALA A 86 228.918 245.013 283.042 1.00 0.00 C +ATOM 87 CA LYS A 87 228.601 246.936 286.315 1.00 0.00 C +ATOM 88 CA SER A 88 230.849 247.812 289.264 1.00 0.00 C +ATOM 89 CA SER A 89 233.501 250.458 289.958 1.00 0.00 C +ATOM 90 CA THR A 90 235.859 250.858 292.923 1.00 0.00 C +ATOM 91 CA SER A 91 237.871 251.050 296.153 1.00 0.00 C +ATOM 92 CA ARG A 92 238.898 253.619 298.773 1.00 0.00 C +ATOM 93 CA ALA A 93 237.332 257.047 299.329 1.00 0.00 C +ATOM 94 CA LYS A 94 237.924 257.926 302.988 1.00 0.00 C +ATOM 95 CA SER A 95 239.468 260.156 305.664 1.00 0.00 C +ATOM 96 CA SER A 96 240.516 259.634 309.290 1.00 0.00 C +ATOM 97 CA ARG A 97 238.314 261.942 311.373 1.00 0.00 C +ATOM 98 CA ALA A 98 238.645 265.554 312.538 1.00 0.00 C +ATOM 99 CA LYS A 99 240.388 267.931 314.952 1.00 0.00 C +ATOM 100 CA LYS A 100 240.005 269.494 318.405 1.00 0.00 C +ATOM 101 CA ARG A 101 240.749 271.556 321.522 1.00 0.00 C +TER 102 ARG A 101 +END diff --git a/Bacteria/Q08TJ7/Q08TJ7.dcd b/Bacteria/Q08TJ7/Q08TJ7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..05b1f7615fb180b921fc7975ca90390e932e6de5 --- /dev/null +++ b/Bacteria/Q08TJ7/Q08TJ7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d9f5839795717c8b5aa6ec2f039c3106f4a0744674c0c08f1cf421617f12dba7 +size 6320276 diff --git a/Bacteria/Q08TJ7/top.pdb b/Bacteria/Q08TJ7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c19ef5e42005e10a2f1b8ee747eaf1ed1210334e --- /dev/null +++ b/Bacteria/Q08TJ7/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 GLY A 1 241.483 276.872 212.480 1.00 0.00 C +ATOM 2 CA GLU A 2 245.285 277.087 212.376 1.00 0.00 C +ATOM 3 CA ALA A 3 247.170 276.508 215.636 1.00 0.00 C +ATOM 4 CA GLY A 4 245.193 274.864 218.448 1.00 0.00 C +ATOM 5 CA GLY A 5 243.161 274.931 221.670 1.00 0.00 C +ATOM 6 CA ALA A 6 239.749 276.235 222.754 1.00 0.00 C +ATOM 7 CA HIS A 7 239.570 278.698 225.656 1.00 0.00 C +ATOM 8 CA PRO A 8 242.679 279.468 227.720 1.00 0.00 C +ATOM 9 CA ASP A 9 245.847 279.884 229.795 1.00 0.00 C +ATOM 10 CA GLY A 10 247.452 276.548 230.693 1.00 0.00 C +ATOM 11 CA GLN A 11 249.977 274.363 232.529 1.00 0.00 C +ATOM 12 CA GLY A 12 249.112 271.461 234.842 1.00 0.00 C +ATOM 13 CA SER A 13 250.179 270.359 238.329 1.00 0.00 C +ATOM 14 CA GLN A 14 250.560 269.477 242.016 1.00 0.00 C +ATOM 15 CA ARG A 15 249.241 267.137 244.718 1.00 0.00 C +ATOM 16 CA GLY A 16 251.128 264.416 246.601 1.00 0.00 C +ATOM 17 CA TRP A 17 253.069 261.336 245.476 1.00 0.00 C +ATOM 18 CA ARG A 18 255.224 259.214 247.794 1.00 0.00 C +ATOM 19 CA ARG A 19 256.028 257.394 251.043 1.00 0.00 C +ATOM 20 CA SER A 20 257.042 255.693 254.298 1.00 0.00 C +ATOM 21 CA GLY A 21 256.342 256.040 258.027 1.00 0.00 C +ATOM 22 CA TRP A 22 259.701 255.815 259.811 1.00 0.00 C +ATOM 23 CA GLY A 23 262.941 255.033 257.966 1.00 0.00 C +ATOM 24 CA GLN A 24 264.252 251.631 259.069 1.00 0.00 C +ATOM 25 CA PRO A 25 262.457 248.868 257.156 1.00 0.00 C +ATOM 26 CA LEU A 26 260.126 246.673 259.221 1.00 0.00 C +ATOM 27 CA VAL A 27 260.583 243.569 261.382 1.00 0.00 C +ATOM 28 CA THR A 28 260.082 242.677 265.052 1.00 0.00 C +ATOM 29 CA ALA A 29 261.212 239.414 266.662 1.00 0.00 C +ATOM 30 CA THR A 30 259.271 236.138 266.518 1.00 0.00 C +ATOM 31 CA LEU A 31 261.062 234.027 263.901 1.00 0.00 C +ATOM 32 CA GLY A 32 258.442 232.649 261.503 1.00 0.00 C +ATOM 33 CA ALA A 33 256.141 229.621 261.267 1.00 0.00 C +ATOM 34 CA ALA A 34 252.822 227.760 261.458 1.00 0.00 C +ATOM 35 CA ARG A 35 251.057 224.384 261.414 1.00 0.00 C +ATOM 36 CA ARG A 36 247.499 224.519 260.058 1.00 0.00 C +ATOM 37 CA GLY A 37 244.530 226.275 261.675 1.00 0.00 C +ATOM 38 CA ALA A 38 240.986 226.556 263.047 1.00 0.00 C +ATOM 39 CA GLY A 39 239.828 228.312 266.223 1.00 0.00 C +ATOM 40 CA PRO A 40 237.284 228.627 269.042 1.00 0.00 C +ATOM 41 CA GLY A 41 235.755 225.444 270.470 1.00 0.00 C +ATOM 42 CA HIS A 42 236.953 221.853 270.038 1.00 0.00 C +ATOM 43 CA SER A 43 239.526 219.177 269.178 1.00 0.00 C +ATOM 44 CA ASN A 44 242.329 220.354 266.883 1.00 0.00 C +ATOM 45 CA ALA A 45 243.518 217.618 264.513 1.00 0.00 C +ATOM 46 CA THR A 46 246.152 215.023 263.593 1.00 0.00 C +TER 47 THR A 46 +END diff --git a/Bacteria/Q08UD4/Q08UD4.dcd b/Bacteria/Q08UD4/Q08UD4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b22d0d8cc8102b83b3d46bb17818805496a6ef30 --- /dev/null +++ b/Bacteria/Q08UD4/Q08UD4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f9154a6042ca9f205a4619b2bb52d437bf46fbe477869840be5dd5a77405bd32 +size 9560276 diff --git a/Bacteria/Q08UD4/top.pdb b/Bacteria/Q08UD4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ea44001c09847ae91285a0fc8b8771f2d8fc0a19 --- /dev/null +++ b/Bacteria/Q08UD4/top.pdb @@ -0,0 +1,77 @@ +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 1 250.539 229.383 257.968 1.00 0.00 C +ATOM 2 CA ARG A 2 251.750 228.995 254.377 1.00 0.00 C +ATOM 3 CA SER A 3 255.512 228.415 254.205 1.00 0.00 C +ATOM 4 CA THR A 4 258.329 228.472 256.770 1.00 0.00 C +ATOM 5 CA ALA A 5 260.042 226.106 259.216 1.00 0.00 C +ATOM 6 CA SER A 6 262.142 223.323 260.753 1.00 0.00 C +ATOM 7 CA ARG A 7 259.609 220.608 261.606 1.00 0.00 C +ATOM 8 CA GLU A 8 260.277 217.622 259.336 1.00 0.00 C +ATOM 9 CA ARG A 9 261.093 213.973 260.068 1.00 0.00 C +ATOM 10 CA LYS A 10 262.384 210.913 258.200 1.00 0.00 C +ATOM 11 CA SER A 11 264.425 211.195 254.995 1.00 0.00 C +ATOM 12 CA ALA A 12 263.412 214.299 253.032 1.00 0.00 C +ATOM 13 CA PRO A 13 261.979 217.820 253.282 1.00 0.00 C +ATOM 14 CA SER A 14 262.877 220.449 250.674 1.00 0.00 C +ATOM 15 CA VAL A 15 264.363 220.089 247.184 1.00 0.00 C +ATOM 16 CA PRO A 16 261.991 218.180 244.895 1.00 0.00 C +ATOM 17 CA VAL A 17 258.731 216.265 245.365 1.00 0.00 C +ATOM 18 CA GLY A 18 255.646 216.743 243.182 1.00 0.00 C +ATOM 19 CA MET A 19 252.016 217.128 242.090 1.00 0.00 C +ATOM 20 CA SER A 20 251.567 220.447 240.273 1.00 0.00 C +ATOM 21 CA ALA A 21 248.631 222.826 240.765 1.00 0.00 C +ATOM 22 CA SER A 22 247.442 224.766 237.709 1.00 0.00 C +ATOM 23 CA GLU A 23 248.298 226.706 234.544 1.00 0.00 C +ATOM 24 CA THR A 24 249.504 226.001 230.999 1.00 0.00 C +ATOM 25 CA VAL A 25 252.836 225.371 229.263 1.00 0.00 C +ATOM 26 CA PRO A 26 255.180 228.073 230.575 1.00 0.00 C +ATOM 27 CA LEU A 27 253.713 231.578 230.861 1.00 0.00 C +ATOM 28 CA PRO A 28 255.785 234.508 229.581 1.00 0.00 C +ATOM 29 CA LEU A 29 254.903 237.146 226.977 1.00 0.00 C +ATOM 30 CA THR A 30 253.945 240.831 226.834 1.00 0.00 C +ATOM 31 CA ARG A 31 251.678 243.078 224.754 1.00 0.00 C +ATOM 32 CA GLY A 32 250.349 245.636 227.244 1.00 0.00 C +ATOM 33 CA VAL A 33 249.299 244.143 230.589 1.00 0.00 C +ATOM 34 CA THR A 34 248.734 246.949 233.103 1.00 0.00 C +ATOM 35 CA SER A 35 251.157 247.733 235.937 1.00 0.00 C +ATOM 36 CA SER A 36 250.800 247.399 239.716 1.00 0.00 C +ATOM 37 CA SER A 37 248.867 249.277 242.409 1.00 0.00 C +ATOM 38 CA THR A 38 247.543 248.695 245.933 1.00 0.00 C +ATOM 39 CA GLN A 39 246.106 251.985 247.210 1.00 0.00 C +ATOM 40 CA ALA A 40 244.457 255.410 246.954 1.00 0.00 C +ATOM 41 CA LEU A 41 246.675 258.381 246.077 1.00 0.00 C +ATOM 42 CA SER A 42 245.442 260.574 243.216 1.00 0.00 C +ATOM 43 CA GLY A 43 245.801 259.833 239.496 1.00 0.00 C +ATOM 44 CA THR A 44 248.907 258.045 238.205 1.00 0.00 C +ATOM 45 CA ALA A 45 250.025 254.475 238.924 1.00 0.00 C +ATOM 46 CA PRO A 46 252.186 254.590 242.060 1.00 0.00 C +ATOM 47 CA ALA A 47 254.354 256.133 244.786 1.00 0.00 C +ATOM 48 CA VAL A 48 253.478 255.441 248.429 1.00 0.00 C +ATOM 49 CA THR A 49 252.180 253.122 251.159 1.00 0.00 C +ATOM 50 CA THR A 50 249.181 253.668 253.445 1.00 0.00 C +ATOM 51 CA THR A 51 248.628 257.438 253.423 1.00 0.00 C +ATOM 52 CA ALA A 52 246.918 260.459 251.855 1.00 0.00 C +ATOM 53 CA PRO A 53 246.812 263.105 254.595 1.00 0.00 C +ATOM 54 CA TRP A 54 249.679 264.627 256.588 1.00 0.00 C +ATOM 55 CA ARG A 55 248.501 266.494 259.694 1.00 0.00 C +ATOM 56 CA GLU A 56 245.962 269.225 258.908 1.00 0.00 C +ATOM 57 CA GLY A 57 242.528 269.081 260.550 1.00 0.00 C +ATOM 58 CA ARG A 58 241.064 272.349 261.852 1.00 0.00 C +ATOM 59 CA GLU A 59 238.783 275.220 260.816 1.00 0.00 C +ATOM 60 CA ALA A 60 237.075 278.616 261.072 1.00 0.00 C +ATOM 61 CA GLN A 61 236.312 281.416 263.540 1.00 0.00 C +ATOM 62 CA VAL A 62 235.074 283.254 266.639 1.00 0.00 C +ATOM 63 CA THR A 63 235.100 286.784 268.072 1.00 0.00 C +ATOM 64 CA GLU A 64 232.080 288.757 266.847 1.00 0.00 C +ATOM 65 CA PRO A 65 232.351 292.381 265.701 1.00 0.00 C +ATOM 66 CA SER A 66 235.518 293.921 267.155 1.00 0.00 C +ATOM 67 CA PHE A 67 239.269 293.510 266.630 1.00 0.00 C +ATOM 68 CA GLN A 68 242.571 295.050 265.517 1.00 0.00 C +ATOM 69 CA ALA A 69 242.691 298.855 265.655 1.00 0.00 C +ATOM 70 CA GLY A 70 245.735 300.611 267.126 1.00 0.00 C +ATOM 71 CA ALA A 71 246.402 304.306 267.777 1.00 0.00 C +ATOM 72 CA ALA A 72 247.407 306.621 270.631 1.00 0.00 C +ATOM 73 CA ALA A 73 247.402 305.123 274.134 1.00 0.00 C +TER 74 ALA A 73 +END diff --git a/Bacteria/Q08V70/Q08V70.dcd b/Bacteria/Q08V70/Q08V70.dcd new file mode 100644 index 0000000000000000000000000000000000000000..291c957129095cad526897b8b0da424a4f5e085a --- /dev/null +++ b/Bacteria/Q08V70/Q08V70.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7d76a4872c9a1c7331c3769b69f668041b02a92a394dec0d7ed7581866261ff4 +size 5240276 diff --git a/Bacteria/Q08V70/top.pdb b/Bacteria/Q08V70/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0a587f51c82384543df88adb0ac14b265fab4a7e --- /dev/null +++ b/Bacteria/Q08V70/top.pdb @@ -0,0 +1,41 @@ +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 1 263.638 276.620 254.355 1.00 0.00 C +ATOM 2 CA ALA A 2 260.254 274.916 253.956 1.00 0.00 C +ATOM 3 CA LEU A 3 256.930 276.706 254.465 1.00 0.00 C +ATOM 4 CA HIS A 4 253.992 275.085 252.660 1.00 0.00 C +ATOM 5 CA PRO A 5 251.613 272.335 251.521 1.00 0.00 C +ATOM 6 CA PRO A 6 252.827 270.707 248.298 1.00 0.00 C +ATOM 7 CA ASP A 7 256.116 268.910 248.983 1.00 0.00 C +ATOM 8 CA SER A 8 258.674 266.293 247.921 1.00 0.00 C +ATOM 9 CA VAL A 9 260.589 263.629 249.857 1.00 0.00 C +ATOM 10 CA GLN A 10 263.551 261.395 250.727 1.00 0.00 C +ATOM 11 CA ALA A 11 263.303 257.595 250.851 1.00 0.00 C +ATOM 12 CA ALA A 12 265.841 256.036 253.227 1.00 0.00 C +ATOM 13 CA SER A 13 269.494 254.954 253.284 1.00 0.00 C +ATOM 14 CA GLU A 14 270.366 251.502 251.929 1.00 0.00 C +ATOM 15 CA HIS A 15 267.460 249.196 252.797 1.00 0.00 C +ATOM 16 CA MET A 16 264.082 247.669 253.677 1.00 0.00 C +ATOM 17 CA THR A 17 260.828 246.025 252.570 1.00 0.00 C +ATOM 18 CA GLY A 18 259.609 242.768 251.015 1.00 0.00 C +ATOM 19 CA PRO A 19 259.258 239.361 252.684 1.00 0.00 C +ATOM 20 CA LEU A 20 256.032 237.524 251.824 1.00 0.00 C +ATOM 21 CA LYS A 21 252.716 238.841 253.161 1.00 0.00 C +ATOM 22 CA VAL A 22 250.333 238.630 256.126 1.00 0.00 C +ATOM 23 CA THR A 23 246.747 239.797 256.672 1.00 0.00 C +ATOM 24 CA ARG A 24 245.198 243.257 257.048 1.00 0.00 C +ATOM 25 CA ASN A 25 242.200 245.290 255.866 1.00 0.00 C +ATOM 26 CA SER A 26 239.558 244.903 253.149 1.00 0.00 C +ATOM 27 CA HIS A 27 236.279 243.134 252.352 1.00 0.00 C +ATOM 28 CA GLN A 28 233.532 241.768 254.610 1.00 0.00 C +ATOM 29 CA ASN A 29 231.798 239.040 252.593 1.00 0.00 C +ATOM 30 CA PRO A 30 230.556 237.885 249.181 1.00 0.00 C +ATOM 31 CA ALA A 31 229.031 238.324 245.718 1.00 0.00 C +ATOM 32 CA GLY A 32 228.612 238.886 241.973 1.00 0.00 C +ATOM 33 CA ARG A 33 229.487 235.935 239.728 1.00 0.00 C +ATOM 34 CA ALA A 34 230.013 233.276 237.050 1.00 0.00 C +ATOM 35 CA ASP A 35 233.235 232.612 235.127 1.00 0.00 C +ATOM 36 CA ARG A 36 236.865 233.739 235.379 1.00 0.00 C +ATOM 37 CA LEU A 37 239.383 235.458 237.665 1.00 0.00 C +TER 38 LEU A 37 +END diff --git a/Bacteria/Q08VH7/Q08VH7.dcd b/Bacteria/Q08VH7/Q08VH7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a9b7491fead127315517230a6627a9e426160b39 --- /dev/null +++ b/Bacteria/Q08VH7/Q08VH7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:343bec8af090eeca07d2de111db514237e40f6d0b6417e296954e81e2382fa48 +size 8240276 diff --git a/Bacteria/Q08VH7/top.pdb b/Bacteria/Q08VH7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a3a110d69df8305a22a719fe08ca4ffe50468cbd --- /dev/null +++ b/Bacteria/Q08VH7/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 PRO A 1 224.539 257.674 230.095 1.00 0.00 C +ATOM 2 CA ARG A 2 224.228 258.367 233.828 1.00 0.00 C +ATOM 3 CA SER A 3 223.627 260.650 236.818 1.00 0.00 C +ATOM 4 CA ARG A 4 221.112 261.893 239.396 1.00 0.00 C +ATOM 5 CA PRO A 5 218.750 264.862 239.048 1.00 0.00 C +ATOM 6 CA ALA A 6 216.198 265.140 241.863 1.00 0.00 C +ATOM 7 CA GLY A 7 214.243 265.096 245.133 1.00 0.00 C +ATOM 8 CA ALA A 8 213.916 264.873 248.922 1.00 0.00 C +ATOM 9 CA PRO A 9 216.354 263.728 251.617 1.00 0.00 C +ATOM 10 CA SER A 10 216.710 261.197 254.443 1.00 0.00 C +ATOM 11 CA THR A 11 215.567 258.261 256.585 1.00 0.00 C +ATOM 12 CA ARG A 12 216.394 255.069 254.675 1.00 0.00 C +ATOM 13 CA THR A 13 215.892 253.671 251.167 1.00 0.00 C +ATOM 14 CA SER A 14 217.624 252.623 247.939 1.00 0.00 C +ATOM 15 CA PRO A 15 221.363 253.183 247.465 1.00 0.00 C +ATOM 16 CA ILE A 16 225.047 253.711 246.648 1.00 0.00 C +ATOM 17 CA ARG A 17 226.900 251.739 243.966 1.00 0.00 C +ATOM 18 CA PRO A 18 229.232 254.054 242.039 1.00 0.00 C +ATOM 19 CA GLY A 19 228.865 254.603 238.286 1.00 0.00 C +ATOM 20 CA ARG A 20 231.963 253.547 236.336 1.00 0.00 C +ATOM 21 CA ARG A 21 234.178 252.663 233.364 1.00 0.00 C +ATOM 22 CA MET A 22 237.561 251.592 234.751 1.00 0.00 C +ATOM 23 CA ALA A 23 238.309 250.461 238.311 1.00 0.00 C +ATOM 24 CA PRO A 24 241.853 251.617 239.101 1.00 0.00 C +ATOM 25 CA GLY A 25 244.828 249.330 239.761 1.00 0.00 C +ATOM 26 CA TRP A 26 245.950 246.539 242.100 1.00 0.00 C +ATOM 27 CA ARG A 27 245.265 247.114 245.803 1.00 0.00 C +ATOM 28 CA THR A 28 242.154 245.647 247.443 1.00 0.00 C +ATOM 29 CA CYS A 29 239.318 244.088 249.453 1.00 0.00 C +ATOM 30 CA ALA A 30 240.419 243.243 253.001 1.00 0.00 C +ATOM 31 CA PRO A 31 241.814 241.226 255.917 1.00 0.00 C +ATOM 32 CA THR A 32 244.035 238.989 258.056 1.00 0.00 C +ATOM 33 CA SER A 33 247.439 240.699 258.092 1.00 0.00 C +ATOM 34 CA PRO A 34 249.695 243.282 256.430 1.00 0.00 C +ATOM 35 CA THR A 35 253.031 242.893 258.228 1.00 0.00 C +ATOM 36 CA PRO A 36 256.694 242.464 257.271 1.00 0.00 C +ATOM 37 CA ARG A 37 259.288 242.091 254.505 1.00 0.00 C +ATOM 38 CA THR A 38 258.096 244.476 251.783 1.00 0.00 C +ATOM 39 CA PRO A 39 258.756 245.779 248.264 1.00 0.00 C +ATOM 40 CA ALA A 40 262.304 245.611 246.888 1.00 0.00 C +ATOM 41 CA PRO A 41 264.774 248.157 248.278 1.00 0.00 C +ATOM 42 CA ARG A 42 265.712 249.994 251.482 1.00 0.00 C +ATOM 43 CA PRO A 43 269.400 250.909 251.763 1.00 0.00 C +ATOM 44 CA CYS A 44 271.764 249.036 249.435 1.00 0.00 C +ATOM 45 CA ALA A 45 275.499 249.696 249.075 1.00 0.00 C +ATOM 46 CA VAL A 46 277.700 247.528 251.305 1.00 0.00 C +ATOM 47 CA PRO A 47 278.045 243.827 250.470 1.00 0.00 C +ATOM 48 CA ARG A 48 276.789 240.304 249.740 1.00 0.00 C +ATOM 49 CA ALA A 49 278.593 237.000 249.156 1.00 0.00 C +ATOM 50 CA PRO A 50 282.361 237.371 249.576 1.00 0.00 C +ATOM 51 CA ARG A 51 283.943 240.837 249.560 1.00 0.00 C +ATOM 52 CA SER A 52 285.416 242.257 252.774 1.00 0.00 C +ATOM 53 CA ALA A 53 284.464 240.649 256.094 1.00 0.00 C +ATOM 54 CA ARG A 54 282.402 240.393 259.287 1.00 0.00 C +ATOM 55 CA ALA A 55 280.934 243.384 261.136 1.00 0.00 C +ATOM 56 CA GLY A 56 282.823 246.101 263.024 1.00 0.00 C +ATOM 57 CA MET A 57 285.448 248.738 262.205 1.00 0.00 C +ATOM 58 CA ARG A 58 286.771 249.979 265.556 1.00 0.00 C +ATOM 59 CA THR A 59 286.241 253.348 267.254 1.00 0.00 C +ATOM 60 CA SER A 60 282.472 253.902 267.193 1.00 0.00 C +ATOM 61 CA SER A 61 280.292 256.629 268.719 1.00 0.00 C +ATOM 62 CA SER A 62 278.641 256.215 272.128 1.00 0.00 C +TER 63 SER A 62 +END diff --git a/Bacteria/Q08WA7/Q08WA7.dcd b/Bacteria/Q08WA7/Q08WA7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..08d2d4dd8172fc22bb62d174ad7bc661e2bacf58 --- /dev/null +++ b/Bacteria/Q08WA7/Q08WA7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:28bfd4d6bbc8deeb39d3a868a0cb221e53103a3e544904da25e437d57a6b5d3a +size 6200276 diff --git a/Bacteria/Q08WA7/top.pdb b/Bacteria/Q08WA7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a54496e91b8d21c364e71c5331b05ce0222e802b --- /dev/null +++ b/Bacteria/Q08WA7/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 1 259.929 289.564 263.875 1.00 0.00 C +ATOM 2 CA LEU A 2 262.464 287.747 266.064 1.00 0.00 C +ATOM 3 CA SER A 3 260.515 285.881 268.753 1.00 0.00 C +ATOM 4 CA THR A 4 257.252 284.265 267.630 1.00 0.00 C +ATOM 5 CA ALA A 5 254.456 285.862 265.593 1.00 0.00 C +ATOM 6 CA GLU A 6 254.162 283.757 262.431 1.00 0.00 C +ATOM 7 CA ARG A 7 250.583 284.068 261.161 1.00 0.00 C +ATOM 8 CA GLY A 8 247.880 281.857 259.639 1.00 0.00 C +ATOM 9 CA PRO A 9 244.801 280.048 258.311 1.00 0.00 C +ATOM 10 CA GLY A 10 244.827 278.257 254.948 1.00 0.00 C +ATOM 11 CA GLU A 11 243.641 274.638 255.027 1.00 0.00 C +ATOM 12 CA LEU A 12 246.393 272.059 254.483 1.00 0.00 C +ATOM 13 CA SER A 13 248.108 268.723 253.816 1.00 0.00 C +ATOM 14 CA GLY A 14 247.192 265.772 256.045 1.00 0.00 C +ATOM 15 CA PRO A 15 244.157 263.634 256.903 1.00 0.00 C +ATOM 16 CA SER A 16 242.583 260.295 257.847 1.00 0.00 C +ATOM 17 CA THR A 17 243.181 257.994 254.870 1.00 0.00 C +ATOM 18 CA TYR A 18 244.954 254.820 256.012 1.00 0.00 C +ATOM 19 CA GLU A 19 248.045 255.967 257.922 1.00 0.00 C +ATOM 20 CA PRO A 20 250.960 258.082 256.679 1.00 0.00 C +ATOM 21 CA THR A 21 252.954 257.793 253.446 1.00 0.00 C +ATOM 22 CA ALA A 22 256.607 256.890 252.853 1.00 0.00 C +ATOM 23 CA LYS A 23 257.724 253.987 250.654 1.00 0.00 C +ATOM 24 CA THR A 24 258.085 250.800 252.711 1.00 0.00 C +ATOM 25 CA SER A 25 255.214 248.358 253.269 1.00 0.00 C +ATOM 26 CA VAL A 26 252.946 246.350 250.959 1.00 0.00 C +ATOM 27 CA PRO A 27 251.796 243.185 249.176 1.00 0.00 C +ATOM 28 CA VAL A 28 248.753 241.877 247.292 1.00 0.00 C +ATOM 29 CA SER A 29 245.229 240.507 246.820 1.00 0.00 C +ATOM 30 CA HIS A 30 244.102 236.951 246.048 1.00 0.00 C +ATOM 31 CA GLU A 31 241.505 234.395 247.162 1.00 0.00 C +ATOM 32 CA ALA A 32 240.158 231.044 245.950 1.00 0.00 C +ATOM 33 CA PRO A 33 238.877 227.842 244.330 1.00 0.00 C +ATOM 34 CA THR A 34 241.449 225.133 245.076 1.00 0.00 C +ATOM 35 CA VAL A 35 244.791 223.333 244.741 1.00 0.00 C +ATOM 36 CA ALA A 36 247.114 220.395 244.045 1.00 0.00 C +ATOM 37 CA GLN A 37 249.791 218.949 241.753 1.00 0.00 C +ATOM 38 CA MET A 38 251.803 216.134 240.158 1.00 0.00 C +ATOM 39 CA GLY A 39 252.725 214.448 236.868 1.00 0.00 C +ATOM 40 CA ALA A 40 254.639 213.988 233.606 1.00 0.00 C +ATOM 41 CA ARG A 41 252.986 216.244 231.018 1.00 0.00 C +ATOM 42 CA ARG A 42 251.023 216.652 227.779 1.00 0.00 C +ATOM 43 CA VAL A 43 251.158 213.718 225.352 1.00 0.00 C +ATOM 44 CA GLU A 44 254.814 212.739 224.910 1.00 0.00 C +ATOM 45 CA PRO A 45 257.675 214.999 226.016 1.00 0.00 C +TER 46 PRO A 45 +END diff --git a/Bacteria/Q08WV7/Q08WV7.dcd b/Bacteria/Q08WV7/Q08WV7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..602f84b68a3936c520ecbd8365c4ddb1ce92e7fd --- /dev/null +++ b/Bacteria/Q08WV7/Q08WV7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9dc236076889ef68ab65eb266042ade431a15c8011d882e34c9e607347398c82 +size 5120276 diff --git a/Bacteria/Q08WV7/top.pdb b/Bacteria/Q08WV7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9ef5e4c0797c608a980502e3ff9b745fb62a84ad --- /dev/null +++ b/Bacteria/Q08WV7/top.pdb @@ -0,0 +1,40 @@ +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 1 255.437 246.531 267.397 1.00 0.00 C +ATOM 2 CA PRO A 2 255.225 242.888 268.494 1.00 0.00 C +ATOM 3 CA MET A 3 251.839 241.303 267.762 1.00 0.00 C +ATOM 4 CA ARG A 4 249.819 239.617 270.518 1.00 0.00 C +ATOM 5 CA SER A 5 249.046 237.917 273.839 1.00 0.00 C +ATOM 6 CA THR A 6 247.413 239.792 276.726 1.00 0.00 C +ATOM 7 CA SER A 7 244.527 242.180 276.032 1.00 0.00 C +ATOM 8 CA MET A 8 244.504 245.794 274.828 1.00 0.00 C +ATOM 9 CA ASP A 9 247.499 246.849 272.723 1.00 0.00 C +ATOM 10 CA GLU A 10 247.797 247.562 268.992 1.00 0.00 C +ATOM 11 CA SER A 11 247.869 250.592 266.683 1.00 0.00 C +ATOM 12 CA VAL A 12 247.637 252.246 263.259 1.00 0.00 C +ATOM 13 CA ILE A 13 250.631 254.600 263.149 1.00 0.00 C +ATOM 14 CA PRO A 14 250.324 256.627 259.937 1.00 0.00 C +ATOM 15 CA ALA A 15 248.174 254.878 257.323 1.00 0.00 C +ATOM 16 CA GLY A 16 248.477 253.005 254.019 1.00 0.00 C +ATOM 17 CA GLU A 17 250.325 254.781 251.200 1.00 0.00 C +ATOM 18 CA GLU A 18 249.094 253.780 247.736 1.00 0.00 C +ATOM 19 CA THR A 19 250.524 252.103 244.628 1.00 0.00 C +ATOM 20 CA PRO A 20 248.653 249.165 243.085 1.00 0.00 C +ATOM 21 CA VAL A 21 249.993 246.704 240.504 1.00 0.00 C +ATOM 22 CA ASP A 22 253.258 244.740 240.489 1.00 0.00 C +ATOM 23 CA HIS A 23 256.678 243.553 239.303 1.00 0.00 C +ATOM 24 CA SER A 24 258.692 243.980 236.097 1.00 0.00 C +ATOM 25 CA VAL A 25 261.027 246.444 234.367 1.00 0.00 C +ATOM 26 CA MET A 26 258.748 248.554 232.161 1.00 0.00 C +ATOM 27 CA VAL A 27 255.670 250.747 232.641 1.00 0.00 C +ATOM 28 CA ASN A 28 252.552 251.507 234.695 1.00 0.00 C +ATOM 29 CA ARG A 29 249.354 253.519 234.202 1.00 0.00 C +ATOM 30 CA THR A 30 246.826 255.220 236.489 1.00 0.00 C +ATOM 31 CA GLY A 31 243.339 256.486 235.621 1.00 0.00 C +ATOM 32 CA THR A 32 242.643 256.394 231.876 1.00 0.00 C +ATOM 33 CA VAL A 33 244.409 258.488 229.228 1.00 0.00 C +ATOM 34 CA LYS A 34 244.597 260.765 226.179 1.00 0.00 C +ATOM 35 CA ALA A 35 246.930 260.254 223.211 1.00 0.00 C +ATOM 36 CA ALA A 36 250.470 260.433 224.608 1.00 0.00 C +TER 37 ALA A 36 +END diff --git a/Bacteria/Q08X31/Q08X31.dcd b/Bacteria/Q08X31/Q08X31.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e4a531aabd37e9ed427555c8985bd52198979a7b --- /dev/null +++ b/Bacteria/Q08X31/Q08X31.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:feefb7354405a8a6322e87f4410cf098007025cb1ed55ceb08abcab3cd02be22 +size 7880276 diff --git a/Bacteria/Q08X31/top.pdb b/Bacteria/Q08X31/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..89ed64389fd654f3bb7b48fb4717797aee9f94f3 --- /dev/null +++ b/Bacteria/Q08X31/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 1 258.152 244.314 265.088 1.00 0.00 C +ATOM 2 CA SER A 2 254.747 242.695 264.538 1.00 0.00 C +ATOM 3 CA THR A 3 253.622 241.419 261.129 1.00 0.00 C +ATOM 4 CA ASP A 4 255.498 241.935 257.853 1.00 0.00 C +ATOM 5 CA LYS A 5 257.682 244.202 255.707 1.00 0.00 C +ATOM 6 CA LYS A 6 261.487 244.370 255.831 1.00 0.00 C +ATOM 7 CA GLN A 7 264.791 245.838 257.031 1.00 0.00 C +ATOM 8 CA SER A 8 267.669 244.023 258.747 1.00 0.00 C +ATOM 9 CA PRO A 9 268.920 241.023 260.734 1.00 0.00 C +ATOM 10 CA ARG A 10 268.327 237.264 260.551 1.00 0.00 C +ATOM 11 CA HIS A 11 265.930 236.324 257.742 1.00 0.00 C +ATOM 12 CA PRO A 12 262.718 236.799 255.748 1.00 0.00 C +ATOM 13 CA PRO A 13 262.610 234.074 253.088 1.00 0.00 C +ATOM 14 CA THR A 14 262.193 230.287 253.040 1.00 0.00 C +ATOM 15 CA GLN A 15 259.899 228.557 255.543 1.00 0.00 C +ATOM 16 CA ALA A 16 258.698 227.297 258.932 1.00 0.00 C +ATOM 17 CA GLU A 17 257.547 225.750 262.218 1.00 0.00 C +ATOM 18 CA LEU A 18 253.822 226.101 262.938 1.00 0.00 C +ATOM 19 CA ASP A 19 250.517 227.974 262.645 1.00 0.00 C +ATOM 20 CA ASN A 20 249.672 231.332 264.234 1.00 0.00 C +ATOM 21 CA ARG A 21 250.194 233.267 267.474 1.00 0.00 C +ATOM 22 CA ALA A 22 251.316 232.872 271.094 1.00 0.00 C +ATOM 23 CA GLN A 23 251.450 235.787 273.543 1.00 0.00 C +ATOM 24 CA HIS A 24 254.026 238.187 275.000 1.00 0.00 C +ATOM 25 CA LEU A 25 255.371 241.342 273.342 1.00 0.00 C +ATOM 26 CA GLN A 26 253.446 244.199 271.714 1.00 0.00 C +ATOM 27 CA PRO A 27 250.739 246.339 270.098 1.00 0.00 C +ATOM 28 CA GLU A 28 248.017 248.804 271.114 1.00 0.00 C +ATOM 29 CA ASN A 29 244.731 247.398 269.793 1.00 0.00 C +ATOM 30 CA GLU A 30 241.121 246.639 268.839 1.00 0.00 C +ATOM 31 CA ARG A 31 239.197 249.363 266.997 1.00 0.00 C +ATOM 32 CA TYR A 32 236.777 248.433 264.205 1.00 0.00 C +ATOM 33 CA TRP A 33 235.403 251.645 262.684 1.00 0.00 C +ATOM 34 CA LYS A 34 234.220 253.209 259.417 1.00 0.00 C +ATOM 35 CA ALA A 35 235.648 255.787 257.003 1.00 0.00 C +ATOM 36 CA ARG A 36 236.784 256.465 253.430 1.00 0.00 C +ATOM 37 CA GLY A 37 240.166 257.204 251.838 1.00 0.00 C +ATOM 38 CA TYR A 38 239.590 256.588 248.123 1.00 0.00 C +ATOM 39 CA ALA A 39 238.761 259.098 245.379 1.00 0.00 C +ATOM 40 CA GLY A 40 238.803 262.494 243.653 1.00 0.00 C +ATOM 41 CA ARG A 41 237.343 264.099 240.521 1.00 0.00 C +ATOM 42 CA PRO A 42 234.440 264.342 238.066 1.00 0.00 C +ATOM 43 CA GLU A 43 235.114 262.473 234.816 1.00 0.00 C +ATOM 44 CA ASP A 44 235.256 261.800 231.069 1.00 0.00 C +ATOM 45 CA TRP A 45 236.024 261.068 227.409 1.00 0.00 C +ATOM 46 CA GLN A 46 233.327 261.695 224.792 1.00 0.00 C +ATOM 47 CA SER A 47 234.644 264.093 222.140 1.00 0.00 C +ATOM 48 CA ARG A 48 238.087 263.141 220.814 1.00 0.00 C +ATOM 49 CA GLY A 49 241.279 261.392 219.690 1.00 0.00 C +ATOM 50 CA PRO A 50 244.502 262.742 221.208 1.00 0.00 C +ATOM 51 CA GLU A 51 247.464 264.787 219.959 1.00 0.00 C +ATOM 52 CA HIS A 52 250.797 266.486 219.236 1.00 0.00 C +ATOM 53 CA GLN A 53 254.182 268.127 219.840 1.00 0.00 C +ATOM 54 CA ALA A 54 255.699 267.796 223.319 1.00 0.00 C +ATOM 55 CA PRO A 55 257.967 266.067 225.846 1.00 0.00 C +ATOM 56 CA PRO A 56 260.358 268.589 227.409 1.00 0.00 C +ATOM 57 CA LYS A 57 258.731 271.901 228.357 1.00 0.00 C +ATOM 58 CA LYS A 58 260.909 275.016 228.622 1.00 0.00 C +ATOM 59 CA LYS A 59 263.619 277.688 228.807 1.00 0.00 C +TER 60 LYS A 59 +END diff --git a/Bacteria/Q08X41/Q08X41.dcd b/Bacteria/Q08X41/Q08X41.dcd new file mode 100644 index 0000000000000000000000000000000000000000..220f07c116e69acabe7843f354ab197b5ea607b5 --- /dev/null +++ b/Bacteria/Q08X41/Q08X41.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3eb5d6216f551bb54eee0f3e7c4fe9a2db23f69484236b5f82a89c4d69664b5d +size 5120276 diff --git a/Bacteria/Q08X41/top.pdb b/Bacteria/Q08X41/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f8b2e7ade39dedbcb198d2e5f7b3ba2a33837853 --- /dev/null +++ b/Bacteria/Q08X41/top.pdb @@ -0,0 +1,40 @@ +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 1 250.662 275.156 244.243 1.00 0.00 C +ATOM 2 CA ARG A 2 247.515 276.293 246.066 1.00 0.00 C +ATOM 3 CA PRO A 3 244.319 274.595 247.255 1.00 0.00 C +ATOM 4 CA PRO A 4 241.607 276.678 248.935 1.00 0.00 C +ATOM 5 CA GLY A 5 241.466 276.360 252.729 1.00 0.00 C +ATOM 6 CA GLU A 6 241.281 273.449 255.180 1.00 0.00 C +ATOM 7 CA ARG A 7 241.299 269.640 255.252 1.00 0.00 C +ATOM 8 CA LEU A 8 240.171 266.373 256.855 1.00 0.00 C +ATOM 9 CA PRO A 9 243.105 265.342 259.056 1.00 0.00 C +ATOM 10 CA GLY A 10 245.119 262.376 257.768 1.00 0.00 C +ATOM 11 CA GLY A 11 245.029 259.927 254.851 1.00 0.00 C +ATOM 12 CA SER A 12 244.566 260.568 251.124 1.00 0.00 C +ATOM 13 CA ALA A 13 246.877 258.296 249.120 1.00 0.00 C +ATOM 14 CA GLY A 14 245.720 254.903 247.830 1.00 0.00 C +ATOM 15 CA GLY A 15 243.744 252.333 249.833 1.00 0.00 C +ATOM 16 CA ALA A 16 244.778 250.637 253.085 1.00 0.00 C +ATOM 17 CA GLY A 17 245.627 246.966 252.521 1.00 0.00 C +ATOM 18 CA GLY A 18 246.813 246.562 248.923 1.00 0.00 C +ATOM 19 CA LEU A 19 246.494 245.430 245.299 1.00 0.00 C +ATOM 20 CA GLY A 20 247.707 242.103 243.896 1.00 0.00 C +ATOM 21 CA ALA A 21 251.438 241.993 244.659 1.00 0.00 C +ATOM 22 CA PRO A 22 252.585 238.469 245.545 1.00 0.00 C +ATOM 23 CA GLY A 23 253.958 235.027 244.658 1.00 0.00 C +ATOM 24 CA GLY A 24 253.295 231.472 245.857 1.00 0.00 C +ATOM 25 CA GLY A 25 251.052 228.442 245.306 1.00 0.00 C +ATOM 26 CA ARG A 26 248.195 227.489 247.640 1.00 0.00 C +ATOM 27 CA ALA A 27 249.652 227.443 251.160 1.00 0.00 C +ATOM 28 CA PRO A 28 252.466 229.834 252.099 1.00 0.00 C +ATOM 29 CA VAL A 29 253.598 233.442 251.636 1.00 0.00 C +ATOM 30 CA TRP A 30 257.315 233.805 250.882 1.00 0.00 C +ATOM 31 CA GLY A 31 259.473 234.127 254.005 1.00 0.00 C +ATOM 32 CA PRO A 32 262.785 235.664 252.918 1.00 0.00 C +ATOM 33 CA ALA A 33 264.983 237.932 250.787 1.00 0.00 C +ATOM 34 CA ASN A 34 264.577 241.719 250.904 1.00 0.00 C +ATOM 35 CA TRP A 35 265.412 243.596 247.695 1.00 0.00 C +ATOM 36 CA SER A 36 265.318 245.559 244.431 1.00 0.00 C +TER 37 SER A 36 +END diff --git a/Bacteria/Q08XD7/Q08XD7.dcd b/Bacteria/Q08XD7/Q08XD7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..be71315c24dbea2434aecac40ebdc681797f8ee2 --- /dev/null +++ b/Bacteria/Q08XD7/Q08XD7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a728eda0426588caa593826cd34ca0febe2ce729bbc8dca9f957a9062ca0baf4 +size 5600276 diff --git a/Bacteria/Q08XD7/top.pdb b/Bacteria/Q08XD7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..76e783d482e91527d576e7d5ce5eb651d48731a5 --- /dev/null +++ b/Bacteria/Q08XD7/top.pdb @@ -0,0 +1,44 @@ +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 1 218.630 248.753 259.938 1.00 0.00 C +ATOM 2 CA ARG A 2 222.224 249.148 258.736 1.00 0.00 C +ATOM 3 CA ASP A 3 222.889 252.365 256.806 1.00 0.00 C +ATOM 4 CA GLY A 4 225.223 254.341 254.534 1.00 0.00 C +ATOM 5 CA ARG A 5 228.680 255.940 254.446 1.00 0.00 C +ATOM 6 CA LEU A 6 230.604 259.123 255.272 1.00 0.00 C +ATOM 7 CA ALA A 7 234.314 258.839 256.091 1.00 0.00 C +ATOM 8 CA ARG A 8 236.831 255.981 256.000 1.00 0.00 C +ATOM 9 CA PRO A 9 239.717 256.472 258.439 1.00 0.00 C +ATOM 10 CA ILE A 10 242.621 258.691 259.514 1.00 0.00 C +ATOM 11 CA PRO A 11 244.460 261.122 261.799 1.00 0.00 C +ATOM 12 CA SER A 12 245.662 264.036 263.940 1.00 0.00 C +ATOM 13 CA GLY A 13 248.968 264.644 265.732 1.00 0.00 C +ATOM 14 CA ARG A 14 250.712 261.257 265.647 1.00 0.00 C +ATOM 15 CA LEU A 15 252.971 260.424 262.695 1.00 0.00 C +ATOM 16 CA THR A 16 254.541 259.103 259.484 1.00 0.00 C +ATOM 17 CA ARG A 17 254.714 261.241 256.335 1.00 0.00 C +ATOM 18 CA SER A 18 251.360 261.848 254.633 1.00 0.00 C +ATOM 19 CA GLN A 19 250.862 259.645 251.565 1.00 0.00 C +ATOM 20 CA ASN A 20 250.903 255.992 252.645 1.00 0.00 C +ATOM 21 CA ALA A 21 253.497 254.163 250.537 1.00 0.00 C +ATOM 22 CA VAL A 22 256.485 255.064 248.352 1.00 0.00 C +ATOM 23 CA ARG A 23 257.052 252.798 245.342 1.00 0.00 C +ATOM 24 CA PRO A 24 253.780 250.917 244.819 1.00 0.00 C +ATOM 25 CA PRO A 25 251.405 249.141 247.210 1.00 0.00 C +ATOM 26 CA ALA A 26 249.373 246.782 245.015 1.00 0.00 C +ATOM 27 CA ARG A 27 251.652 243.966 243.834 1.00 0.00 C +ATOM 28 CA ARG A 28 250.952 240.222 243.948 1.00 0.00 C +ATOM 29 CA VAL A 29 251.639 237.493 241.380 1.00 0.00 C +ATOM 30 CA PRO A 30 254.702 235.241 241.628 1.00 0.00 C +ATOM 31 CA MET A 31 257.177 232.352 241.842 1.00 0.00 C +ATOM 32 CA ALA A 32 260.544 233.596 243.121 1.00 0.00 C +ATOM 33 CA ASP A 33 264.229 233.981 242.234 1.00 0.00 C +ATOM 34 CA GLY A 34 267.046 236.523 241.893 1.00 0.00 C +ATOM 35 CA LEU A 35 270.066 237.419 239.750 1.00 0.00 C +ATOM 36 CA GLU A 36 272.476 237.127 236.814 1.00 0.00 C +ATOM 37 CA TRP A 37 272.262 240.095 234.434 1.00 0.00 C +ATOM 38 CA GLN A 38 269.307 242.490 234.659 1.00 0.00 C +ATOM 39 CA THR A 39 265.502 242.576 234.477 1.00 0.00 C +ATOM 40 CA ALA A 40 263.969 239.088 234.462 1.00 0.00 C +TER 41 ALA A 40 +END diff --git a/Bacteria/Q08XH6/Q08XH6.dcd b/Bacteria/Q08XH6/Q08XH6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a418b09c9b1d004b870ee008fc9db0c939c5f183 --- /dev/null +++ b/Bacteria/Q08XH6/Q08XH6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2b14808b80f877d391e6abcbbd65512f580feecb476c7e21a56390225e02defe +size 4400276 diff --git a/Bacteria/Q08XH6/top.pdb b/Bacteria/Q08XH6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..16c015e99285a6405afa46de74f74ef50f318f7b --- /dev/null +++ b/Bacteria/Q08XH6/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 1 258.738 240.465 252.643 1.00 0.00 C +ATOM 2 CA ALA A 2 256.379 241.352 255.500 1.00 0.00 C +ATOM 3 CA GLU A 3 252.590 241.647 255.235 1.00 0.00 C +ATOM 4 CA TYR A 4 248.957 241.592 254.087 1.00 0.00 C +ATOM 5 CA ALA A 5 245.459 241.584 255.597 1.00 0.00 C +ATOM 6 CA CYS A 6 244.498 237.912 255.924 1.00 0.00 C +ATOM 7 CA PRO A 7 245.186 235.621 252.958 1.00 0.00 C +ATOM 8 CA SER A 8 246.022 232.472 250.982 1.00 0.00 C +ATOM 9 CA GLY A 9 249.110 232.719 248.764 1.00 0.00 C +ATOM 10 CA GLN A 10 251.731 235.483 248.844 1.00 0.00 C +ATOM 11 CA GLN A 11 254.144 238.168 247.626 1.00 0.00 C +ATOM 12 CA GLU A 12 255.048 239.480 244.165 1.00 0.00 C +ATOM 13 CA LEU A 13 256.241 243.095 243.998 1.00 0.00 C +ATOM 14 CA SER A 14 256.691 245.111 247.200 1.00 0.00 C +ATOM 15 CA ARG A 15 258.696 247.870 248.898 1.00 0.00 C +ATOM 16 CA GLN A 16 261.720 250.013 249.779 1.00 0.00 C +ATOM 17 CA LYS A 17 260.879 253.029 251.950 1.00 0.00 C +ATOM 18 CA GLN A 18 259.637 256.105 250.076 1.00 0.00 C +ATOM 19 CA THR A 19 255.898 256.054 249.350 1.00 0.00 C +ATOM 20 CA PRO A 20 252.730 254.214 248.303 1.00 0.00 C +ATOM 21 CA ALA A 21 250.423 254.909 245.351 1.00 0.00 C +ATOM 22 CA SER A 22 246.868 255.474 244.103 1.00 0.00 C +ATOM 23 CA GLN A 23 245.971 259.176 244.179 1.00 0.00 C +ATOM 24 CA ARG A 24 244.093 262.375 245.046 1.00 0.00 C +ATOM 25 CA ILE A 25 244.966 263.568 248.558 1.00 0.00 C +ATOM 26 CA PRO A 26 241.947 265.437 249.937 1.00 0.00 C +ATOM 27 CA SER A 27 238.160 265.431 249.511 1.00 0.00 C +ATOM 28 CA GLY A 28 236.927 268.048 251.990 1.00 0.00 C +ATOM 29 CA HIS A 29 239.716 268.966 254.418 1.00 0.00 C +ATOM 30 CA ALA A 30 240.575 272.628 255.027 1.00 0.00 C +TER 31 ALA A 30 +END diff --git a/Bacteria/Q08XP2/Q08XP2.dcd b/Bacteria/Q08XP2/Q08XP2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e28ed7fcaf96b844b446eb5b02a7855ce1a2babd --- /dev/null +++ b/Bacteria/Q08XP2/Q08XP2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5661b1bd74f09b00de216e96d4c130d858ffd5eca5a79ddf3897ec9b2a06d057 +size 24200276 diff --git a/Bacteria/Q08XP2/top.pdb b/Bacteria/Q08XP2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..74d159a66726bd9f33ff0910d224920aefafe76d --- /dev/null +++ b/Bacteria/Q08XP2/top.pdb @@ -0,0 +1,199 @@ +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 1 285.023 301.236 249.292 1.00 0.00 C +ATOM 2 CA ALA A 2 282.480 302.723 251.709 1.00 0.00 C +ATOM 3 CA ALA A 3 280.446 301.710 254.766 1.00 0.00 C +ATOM 4 CA SER A 4 279.016 300.320 258.013 1.00 0.00 C +ATOM 5 CA GLU A 5 281.271 301.180 260.960 1.00 0.00 C +ATOM 6 CA ARG A 6 283.087 300.646 264.267 1.00 0.00 C +ATOM 7 CA ALA A 7 283.554 297.196 265.815 1.00 0.00 C +ATOM 8 CA PRO A 8 281.754 296.782 269.147 1.00 0.00 C +ATOM 9 CA VAL A 9 280.115 293.952 271.101 1.00 0.00 C +ATOM 10 CA LEU A 10 276.368 293.727 271.755 1.00 0.00 C +ATOM 11 CA SER A 11 274.754 291.154 274.055 1.00 0.00 C +ATOM 12 CA CYS A 12 270.949 291.029 273.897 1.00 0.00 C +ATOM 13 CA THR A 13 269.183 292.921 271.101 1.00 0.00 C +ATOM 14 CA ALA A 14 268.724 290.415 268.268 1.00 0.00 C +ATOM 15 CA ILE A 15 270.740 287.209 268.688 1.00 0.00 C +ATOM 16 CA LYS A 16 270.618 284.096 270.880 1.00 0.00 C +ATOM 17 CA VAL A 17 271.906 280.541 271.347 1.00 0.00 C +ATOM 18 CA GLY A 18 271.855 276.733 271.239 1.00 0.00 C +ATOM 19 CA ALA A 19 273.679 274.498 268.751 1.00 0.00 C +ATOM 20 CA SER A 20 276.288 275.673 266.235 1.00 0.00 C +ATOM 21 CA SER A 21 277.542 276.949 262.871 1.00 0.00 C +ATOM 22 CA SER A 22 276.994 278.450 259.412 1.00 0.00 C +ATOM 23 CA SER A 23 277.356 276.861 255.969 1.00 0.00 C +ATOM 24 CA GLN A 24 278.296 273.479 254.488 1.00 0.00 C +ATOM 25 CA ARG A 25 277.502 269.787 253.978 1.00 0.00 C +ATOM 26 CA SER A 26 274.634 267.551 255.114 1.00 0.00 C +ATOM 27 CA GLN A 27 272.034 266.421 252.569 1.00 0.00 C +ATOM 28 CA SER A 28 273.860 264.661 249.725 1.00 0.00 C +ATOM 29 CA LEU A 29 273.570 267.042 246.765 1.00 0.00 C +ATOM 30 CA GLN A 30 276.763 267.193 244.691 1.00 0.00 C +ATOM 31 CA GLU A 31 278.075 263.623 244.469 1.00 0.00 C +ATOM 32 CA GLY A 32 277.943 261.314 241.442 1.00 0.00 C +ATOM 33 CA PRO A 33 277.863 261.527 237.638 1.00 0.00 C +ATOM 34 CA GLY A 34 277.022 258.142 236.105 1.00 0.00 C +ATOM 35 CA THR A 35 274.036 257.535 233.817 1.00 0.00 C +ATOM 36 CA GLY A 36 270.986 255.725 235.209 1.00 0.00 C +ATOM 37 CA GLY A 37 270.817 252.767 237.604 1.00 0.00 C +ATOM 38 CA SER A 38 270.159 252.976 241.351 1.00 0.00 C +ATOM 39 CA ALA A 39 271.032 250.351 243.972 1.00 0.00 C +ATOM 40 CA PRO A 40 271.961 251.766 247.385 1.00 0.00 C +ATOM 41 CA VAL A 41 275.261 253.584 247.955 1.00 0.00 C +ATOM 42 CA GLU A 42 278.426 253.674 245.837 1.00 0.00 C +ATOM 43 CA CYS A 43 280.374 256.930 245.492 1.00 0.00 C +ATOM 44 CA VAL A 44 284.044 256.375 244.629 1.00 0.00 C +ATOM 45 CA PRO A 45 286.682 259.046 245.281 1.00 0.00 C +ATOM 46 CA SER A 46 286.651 262.721 244.277 1.00 0.00 C +ATOM 47 CA GLN A 47 287.807 265.709 246.339 1.00 0.00 C +ATOM 48 CA SER A 48 290.574 264.946 248.845 1.00 0.00 C +ATOM 49 CA GLU A 49 294.295 265.572 248.322 1.00 0.00 C +ATOM 50 CA GLY A 50 297.281 263.214 248.117 1.00 0.00 C +ATOM 51 CA ASN A 51 297.326 261.068 251.265 1.00 0.00 C +ATOM 52 CA THR A 52 299.613 258.371 252.684 1.00 0.00 C +ATOM 53 CA THR A 53 298.450 255.107 251.099 1.00 0.00 C +ATOM 54 CA VAL A 54 300.681 252.057 250.609 1.00 0.00 C +ATOM 55 CA GLY A 55 302.844 249.859 252.846 1.00 0.00 C +ATOM 56 CA GLN A 56 306.226 250.131 254.579 1.00 0.00 C +ATOM 57 CA SER A 57 306.967 252.200 257.692 1.00 0.00 C +ATOM 58 CA SER A 58 310.670 252.195 258.591 1.00 0.00 C +ATOM 59 CA LEU A 59 312.658 255.436 258.834 1.00 0.00 C +ATOM 60 CA GLY A 60 315.383 255.311 261.493 1.00 0.00 C +ATOM 61 CA SER A 61 315.160 252.404 263.946 1.00 0.00 C +ATOM 62 CA GLU A 62 313.860 249.190 265.526 1.00 0.00 C +ATOM 63 CA ASP A 63 314.562 248.779 269.248 1.00 0.00 C +ATOM 64 CA SER A 64 314.016 247.517 272.802 1.00 0.00 C +ATOM 65 CA ALA A 65 315.388 247.520 276.356 1.00 0.00 C +ATOM 66 CA SER A 66 316.613 251.091 276.870 1.00 0.00 C +ATOM 67 CA THR A 67 315.962 253.944 279.309 1.00 0.00 C +ATOM 68 CA LYS A 68 312.836 254.459 281.425 1.00 0.00 C +ATOM 69 CA ALA A 69 310.468 251.612 282.323 1.00 0.00 C +ATOM 70 CA PRO A 70 307.233 250.434 283.954 1.00 0.00 C +ATOM 71 CA ASN A 71 304.828 247.846 285.380 1.00 0.00 C +ATOM 72 CA THR A 72 301.460 247.497 283.634 1.00 0.00 C +ATOM 73 CA THR A 73 297.933 248.923 283.425 1.00 0.00 C +ATOM 74 CA GLU A 74 294.186 248.567 282.835 1.00 0.00 C +ATOM 75 CA GLY A 75 290.737 249.992 283.604 1.00 0.00 C +ATOM 76 CA VAL A 76 288.704 249.915 280.383 1.00 0.00 C +ATOM 77 CA GLY A 77 285.702 247.645 279.788 1.00 0.00 C +ATOM 78 CA GLY A 78 284.798 243.973 279.322 1.00 0.00 C +ATOM 79 CA ALA A 79 283.317 243.293 275.879 1.00 0.00 C +ATOM 80 CA GLY A 80 284.229 241.016 272.963 1.00 0.00 C +ATOM 81 CA ASN A 81 283.230 241.916 269.397 1.00 0.00 C +ATOM 82 CA THR A 82 280.257 243.390 267.526 1.00 0.00 C +ATOM 83 CA GLU A 83 276.465 243.422 267.153 1.00 0.00 C +ATOM 84 CA VAL A 84 274.939 243.301 270.642 1.00 0.00 C +ATOM 85 CA LYS A 85 275.277 245.475 273.753 1.00 0.00 C +ATOM 86 CA ASP A 86 275.707 249.235 273.315 1.00 0.00 C +ATOM 87 CA ASP A 87 276.557 252.755 272.129 1.00 0.00 C +ATOM 88 CA PRO A 88 276.214 254.682 268.860 1.00 0.00 C +ATOM 89 CA ALA A 89 275.358 254.825 265.150 1.00 0.00 C +ATOM 90 CA PRO A 90 275.838 256.065 261.580 1.00 0.00 C +ATOM 91 CA MET A 91 275.936 259.873 261.666 1.00 0.00 C +ATOM 92 CA GLN A 92 276.637 262.267 258.786 1.00 0.00 C +ATOM 93 CA PRO A 93 278.254 261.613 255.399 1.00 0.00 C +ATOM 94 CA GLY A 94 275.869 259.878 252.987 1.00 0.00 C +ATOM 95 CA HIS A 95 273.000 258.694 250.777 1.00 0.00 C +ATOM 96 CA ASP A 96 269.791 258.928 252.819 1.00 0.00 C +ATOM 97 CA SER A 97 267.769 255.753 253.405 1.00 0.00 C +ATOM 98 CA ILE A 98 265.025 253.242 252.581 1.00 0.00 C +ATOM 99 CA GLY A 99 265.157 250.321 250.138 1.00 0.00 C +ATOM 100 CA SER A 100 262.821 247.513 251.221 1.00 0.00 C +ATOM 101 CA ALA A 101 263.979 245.430 254.194 1.00 0.00 C +ATOM 102 CA PHE A 102 264.988 241.829 253.470 1.00 0.00 C +ATOM 103 CA GLN A 103 263.603 239.317 250.961 1.00 0.00 C +ATOM 104 CA GLN A 104 260.864 238.389 248.482 1.00 0.00 C +ATOM 105 CA ASP A 105 257.130 239.130 248.310 1.00 0.00 C +ATOM 106 CA SER A 106 253.756 240.864 247.956 1.00 0.00 C +ATOM 107 CA ALA A 107 250.488 241.909 246.301 1.00 0.00 C +ATOM 108 CA ILE A 108 248.841 238.646 245.222 1.00 0.00 C +ATOM 109 CA VAL A 109 250.559 236.447 242.629 1.00 0.00 C +ATOM 110 CA PRO A 110 251.584 234.628 239.442 1.00 0.00 C +ATOM 111 CA PRO A 111 249.908 234.440 236.026 1.00 0.00 C +ATOM 112 CA GLU A 112 246.138 234.749 235.574 1.00 0.00 C +ATOM 113 CA GLU A 113 243.586 232.423 237.184 1.00 0.00 C +ATOM 114 CA ARG A 114 241.615 230.759 234.380 1.00 0.00 C +ATOM 115 CA THR A 115 239.292 230.068 231.440 1.00 0.00 C +ATOM 116 CA GLN A 116 237.218 226.899 231.854 1.00 0.00 C +ATOM 117 CA ARG A 117 236.898 223.228 232.823 1.00 0.00 C +ATOM 118 CA ASP A 118 234.076 220.872 231.824 1.00 0.00 C +ATOM 119 CA VAL A 119 230.371 219.995 231.671 1.00 0.00 C +ATOM 120 CA VAL A 120 226.936 221.395 232.541 1.00 0.00 C +ATOM 121 CA ALA A 121 224.940 222.875 235.429 1.00 0.00 C +ATOM 122 CA PRO A 122 226.012 222.707 239.081 1.00 0.00 C +ATOM 123 CA ALA A 123 225.307 225.740 241.277 1.00 0.00 C +ATOM 124 CA ASP A 124 225.049 229.345 242.482 1.00 0.00 C +ATOM 125 CA ILE A 125 222.562 229.384 245.369 1.00 0.00 C +ATOM 126 CA VAL A 126 223.737 231.970 247.908 1.00 0.00 C +ATOM 127 CA PRO A 127 223.339 230.821 251.519 1.00 0.00 C +ATOM 128 CA GLU A 128 219.721 231.150 252.667 1.00 0.00 C +ATOM 129 CA GLN A 129 217.173 233.852 251.817 1.00 0.00 C +ATOM 130 CA GLU A 130 213.550 234.962 251.423 1.00 0.00 C +ATOM 131 CA GLY A 131 210.557 234.944 249.065 1.00 0.00 C +ATOM 132 CA VAL A 132 209.138 234.219 245.604 1.00 0.00 C +ATOM 133 CA GLY A 133 208.267 235.860 242.277 1.00 0.00 C +ATOM 134 CA GLY A 134 205.772 238.714 242.661 1.00 0.00 C +ATOM 135 CA ALA A 135 207.241 241.356 244.980 1.00 0.00 C +ATOM 136 CA GLY A 136 207.806 245.123 244.897 1.00 0.00 C +ATOM 137 CA ASN A 137 206.691 248.458 246.363 1.00 0.00 C +ATOM 138 CA THR A 138 209.529 249.438 248.708 1.00 0.00 C +ATOM 139 CA ASP A 139 210.568 248.058 252.104 1.00 0.00 C +ATOM 140 CA VAL A 140 212.897 248.936 254.989 1.00 0.00 C +ATOM 141 CA GLY A 141 212.409 249.092 258.764 1.00 0.00 C +ATOM 142 CA THR A 142 209.722 251.386 260.191 1.00 0.00 C +ATOM 143 CA SER A 143 209.763 254.774 261.932 1.00 0.00 C +ATOM 144 CA ALA A 144 209.969 258.442 260.922 1.00 0.00 C +ATOM 145 CA ALA A 145 207.813 259.376 257.923 1.00 0.00 C +ATOM 146 CA PRO A 146 204.450 260.936 257.044 1.00 0.00 C +ATOM 147 CA ALA A 147 201.257 261.892 258.889 1.00 0.00 C +ATOM 148 CA GLN A 148 198.497 259.287 259.223 1.00 0.00 C +ATOM 149 CA SER A 149 195.301 258.389 257.352 1.00 0.00 C +ATOM 150 CA GLY A 150 194.395 255.018 255.826 1.00 0.00 C +ATOM 151 CA GLN A 151 193.156 251.643 254.565 1.00 0.00 C +ATOM 152 CA ASP A 152 192.018 248.098 255.372 1.00 0.00 C +ATOM 153 CA ALA A 153 190.041 245.929 252.942 1.00 0.00 C +ATOM 154 CA LEU A 154 191.969 242.658 252.630 1.00 0.00 C +ATOM 155 CA GLY A 155 195.411 243.045 251.041 1.00 0.00 C +ATOM 156 CA LYS A 156 196.996 246.201 249.612 1.00 0.00 C +ATOM 157 CA PRO A 157 199.478 247.615 247.091 1.00 0.00 C +ATOM 158 CA ALA A 158 199.310 246.478 243.459 1.00 0.00 C +ATOM 159 CA GLN A 159 197.031 248.812 241.490 1.00 0.00 C +ATOM 160 CA LYS A 160 199.121 251.151 239.327 1.00 0.00 C +ATOM 161 CA ASP A 161 201.032 250.448 236.106 1.00 0.00 C +ATOM 162 CA ALA A 162 200.204 247.596 233.719 1.00 0.00 C +ATOM 163 CA GLU A 163 196.956 248.402 231.896 1.00 0.00 C +ATOM 164 CA PRO A 164 193.316 249.352 232.497 1.00 0.00 C +ATOM 165 CA VAL A 165 190.168 247.629 233.777 1.00 0.00 C +ATOM 166 CA ALA A 166 191.227 244.584 235.809 1.00 0.00 C +ATOM 167 CA PRO A 167 192.617 241.613 233.872 1.00 0.00 C +ATOM 168 CA GLU A 168 194.185 243.112 230.740 1.00 0.00 C +ATOM 169 CA LEU A 169 193.701 241.072 227.559 1.00 0.00 C +ATOM 170 CA ASP A 170 194.473 237.476 228.550 1.00 0.00 C +ATOM 171 CA THR A 171 196.770 234.445 228.320 1.00 0.00 C +ATOM 172 CA GLN A 172 198.135 232.521 225.328 1.00 0.00 C +ATOM 173 CA SER A 173 197.428 228.834 225.978 1.00 0.00 C +ATOM 174 CA ASP A 174 195.488 227.934 229.131 1.00 0.00 C +ATOM 175 CA PRO A 175 197.407 229.420 232.068 1.00 0.00 C +ATOM 176 CA MET A 176 201.028 229.863 230.970 1.00 0.00 C +ATOM 177 CA PRO A 177 204.771 230.548 231.169 1.00 0.00 C +ATOM 178 CA ALA A 178 208.344 231.852 230.939 1.00 0.00 C +ATOM 179 CA ASP A 179 211.117 230.885 228.512 1.00 0.00 C +ATOM 180 CA THR A 180 212.521 232.705 225.474 1.00 0.00 C +ATOM 181 CA HIS A 181 214.415 230.933 222.684 1.00 0.00 C +ATOM 182 CA PHE A 182 212.322 227.830 221.973 1.00 0.00 C +ATOM 183 CA GLN A 183 208.654 227.516 222.954 1.00 0.00 C +ATOM 184 CA ASP A 184 206.356 226.082 220.274 1.00 0.00 C +ATOM 185 CA THR A 185 202.924 224.471 220.646 1.00 0.00 C +ATOM 186 CA GLY A 186 199.293 223.352 220.361 1.00 0.00 C +ATOM 187 CA MET A 187 199.087 219.929 222.019 1.00 0.00 C +ATOM 188 CA GLY A 188 200.553 216.504 222.819 1.00 0.00 C +ATOM 189 CA GLY A 189 199.065 213.141 221.824 1.00 0.00 C +ATOM 190 CA ALA A 190 199.001 211.820 218.251 1.00 0.00 C +ATOM 191 CA GLY A 191 198.563 214.352 215.438 1.00 0.00 C +ATOM 192 CA GLY A 192 199.815 213.391 211.971 1.00 0.00 C +ATOM 193 CA GLY A 193 200.461 212.373 208.356 1.00 0.00 C +ATOM 194 CA GLY A 194 203.061 210.491 206.304 1.00 0.00 C +ATOM 195 CA GLY A 195 201.190 207.839 204.309 1.00 0.00 C +TER 196 GLY A 195 +END diff --git a/Bacteria/Q08YA1/Q08YA1.dcd b/Bacteria/Q08YA1/Q08YA1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..1189e904bcd8f7a3d071cc84a6dbe53418d43907 --- /dev/null +++ b/Bacteria/Q08YA1/Q08YA1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d5872e97021fabdbcf7b2928f39fc5279e7d4ed72832cf7f73b76ea5b48bda8d +size 8000276 diff --git a/Bacteria/Q08YA1/top.pdb b/Bacteria/Q08YA1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4a9185e8a62e10b6c542d35b520371e84bc2b7c4 --- /dev/null +++ b/Bacteria/Q08YA1/top.pdb @@ -0,0 +1,64 @@ +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 1 282.469 247.192 227.771 1.00 0.00 C +ATOM 2 CA GLU A 2 279.303 247.776 225.732 1.00 0.00 C +ATOM 3 CA GLU A 3 279.596 251.375 224.515 1.00 0.00 C +ATOM 4 CA ALA A 4 277.193 252.950 222.014 1.00 0.00 C +ATOM 5 CA GLY A 5 273.721 251.757 223.033 1.00 0.00 C +ATOM 6 CA ARG A 6 272.529 254.382 225.523 1.00 0.00 C +ATOM 7 CA THR A 7 274.978 256.794 227.166 1.00 0.00 C +ATOM 8 CA ALA A 8 278.727 257.157 227.739 1.00 0.00 C +ATOM 9 CA ILE A 9 279.605 255.111 230.830 1.00 0.00 C +ATOM 10 CA ARG A 10 278.500 253.314 234.004 1.00 0.00 C +ATOM 11 CA GLU A 11 279.198 252.571 237.675 1.00 0.00 C +ATOM 12 CA SER A 12 280.433 253.894 241.028 1.00 0.00 C +ATOM 13 CA SER A 13 281.882 251.868 243.911 1.00 0.00 C +ATOM 14 CA PRO A 14 282.821 251.875 247.603 1.00 0.00 C +ATOM 15 CA ALA A 15 279.814 252.094 249.933 1.00 0.00 C +ATOM 16 CA PRO A 16 276.380 253.660 250.452 1.00 0.00 C +ATOM 17 CA LYS A 17 273.546 251.157 250.924 1.00 0.00 C +ATOM 18 CA ASP A 18 269.759 251.484 250.668 1.00 0.00 C +ATOM 19 CA ALA A 19 265.998 250.913 250.883 1.00 0.00 C +ATOM 20 CA SER A 20 262.700 250.031 249.192 1.00 0.00 C +ATOM 21 CA ASP A 21 260.508 247.327 250.740 1.00 0.00 C +ATOM 22 CA SER A 22 257.381 246.325 248.807 1.00 0.00 C +ATOM 23 CA GLU A 23 255.834 244.077 246.148 1.00 0.00 C +ATOM 24 CA GLY A 24 257.764 243.774 242.876 1.00 0.00 C +ATOM 25 CA SER A 25 257.910 240.112 241.835 1.00 0.00 C +ATOM 26 CA GLU A 26 255.604 238.147 244.145 1.00 0.00 C +ATOM 27 CA ALA A 27 254.604 235.512 246.709 1.00 0.00 C +ATOM 28 CA ALA A 28 251.314 233.820 245.797 1.00 0.00 C +ATOM 29 CA ARG A 29 247.692 232.818 245.172 1.00 0.00 C +ATOM 30 CA GLU A 30 245.812 236.124 244.940 1.00 0.00 C +ATOM 31 CA ALA A 31 242.388 237.070 246.317 1.00 0.00 C +ATOM 32 CA ALA A 32 242.175 240.107 248.608 1.00 0.00 C +ATOM 33 CA GLN A 33 243.156 243.055 246.403 1.00 0.00 C +ATOM 34 CA PRO A 34 240.845 244.931 244.025 1.00 0.00 C +ATOM 35 CA ALA A 35 237.258 243.664 244.234 1.00 0.00 C +ATOM 36 CA VAL A 36 234.512 243.150 246.825 1.00 0.00 C +ATOM 37 CA PRO A 37 231.946 245.949 247.133 1.00 0.00 C +ATOM 38 CA ARG A 38 231.590 249.655 247.944 1.00 0.00 C +ATOM 39 CA THR A 39 230.173 252.898 249.353 1.00 0.00 C +ATOM 40 CA HIS A 40 232.460 255.779 248.357 1.00 0.00 C +ATOM 41 CA ARG A 41 233.217 259.448 247.665 1.00 0.00 C +ATOM 42 CA SER A 42 231.376 262.409 246.128 1.00 0.00 C +ATOM 43 CA ILE A 43 228.662 263.783 248.422 1.00 0.00 C +ATOM 44 CA THR A 44 227.995 264.644 252.073 1.00 0.00 C +ATOM 45 CA ALA A 45 228.417 263.832 255.772 1.00 0.00 C +ATOM 46 CA PRO A 46 230.227 261.433 258.113 1.00 0.00 C +ATOM 47 CA VAL A 47 233.160 261.568 260.541 1.00 0.00 C +ATOM 48 CA LEU A 48 235.691 261.528 263.389 1.00 0.00 C +ATOM 49 CA ARG A 49 235.794 257.974 264.758 1.00 0.00 C +ATOM 50 CA LEU A 50 235.181 257.581 268.498 1.00 0.00 C +ATOM 51 CA ARG A 51 233.126 254.883 270.234 1.00 0.00 C +ATOM 52 CA PRO A 52 231.187 253.427 273.173 1.00 0.00 C +ATOM 53 CA ALA A 53 228.089 251.625 271.880 1.00 0.00 C +ATOM 54 CA ASN A 54 225.336 250.460 274.242 1.00 0.00 C +ATOM 55 CA LEU A 55 221.621 250.475 275.087 1.00 0.00 C +ATOM 56 CA THR A 56 220.897 248.921 278.489 1.00 0.00 C +ATOM 57 CA TYR A 57 223.603 246.329 279.182 1.00 0.00 C +ATOM 58 CA HIS A 58 222.095 243.741 281.536 1.00 0.00 C +ATOM 59 CA PRO A 59 218.950 241.710 282.246 1.00 0.00 C +ATOM 60 CA GLU A 60 215.296 242.581 281.609 1.00 0.00 C +TER 61 GLU A 60 +END diff --git a/Bacteria/Q08YL3/Q08YL3.dcd b/Bacteria/Q08YL3/Q08YL3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8d224c7197db4b472da2a3eb09baa00832bb8e90 --- /dev/null +++ b/Bacteria/Q08YL3/Q08YL3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3dab7f2429213def6334e78e0dd6edd5fcd2f8986f79a8e9ec8db5f439adcd99 +size 8240276 diff --git a/Bacteria/Q08YL3/top.pdb b/Bacteria/Q08YL3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..31264920c6c37a4e97000ab0f4f2004b36319234 --- /dev/null +++ b/Bacteria/Q08YL3/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 1 246.592 223.693 228.721 1.00 0.00 C +ATOM 2 CA PRO A 2 243.650 225.847 227.613 1.00 0.00 C +ATOM 3 CA GLN A 3 241.179 226.690 230.387 1.00 0.00 C +ATOM 4 CA HIS A 4 241.335 230.314 231.552 1.00 0.00 C +ATOM 5 CA PRO A 5 242.408 232.222 234.671 1.00 0.00 C +ATOM 6 CA GLY A 6 243.128 235.192 236.946 1.00 0.00 C +ATOM 7 CA MET A 7 246.549 234.552 238.497 1.00 0.00 C +ATOM 8 CA SER A 8 247.138 235.897 242.013 1.00 0.00 C +ATOM 9 CA LYS A 9 245.967 239.493 242.469 1.00 0.00 C +ATOM 10 CA ARG A 10 243.590 239.609 245.444 1.00 0.00 C +ATOM 11 CA GLN A 11 243.577 236.727 247.936 1.00 0.00 C +ATOM 12 CA LYS A 12 241.957 233.314 248.429 1.00 0.00 C +ATOM 13 CA GLU A 13 244.360 231.015 250.290 1.00 0.00 C +ATOM 14 CA LEU A 14 247.782 231.198 248.626 1.00 0.00 C +ATOM 15 CA ALA A 15 251.520 230.507 248.367 1.00 0.00 C +ATOM 16 CA ARG A 16 255.268 230.232 248.993 1.00 0.00 C +ATOM 17 CA LYS A 17 256.756 229.979 252.491 1.00 0.00 C +ATOM 18 CA GLU A 18 259.424 232.172 254.100 1.00 0.00 C +ATOM 19 CA LYS A 19 259.113 232.603 257.872 1.00 0.00 C +ATOM 20 CA ASN A 20 257.975 231.423 261.312 1.00 0.00 C +ATOM 21 CA LYS A 21 254.322 232.428 261.713 1.00 0.00 C +ATOM 22 CA GLU A 22 253.066 233.640 265.100 1.00 0.00 C +ATOM 23 CA LYS A 23 252.166 236.833 266.973 1.00 0.00 C +ATOM 24 CA ASP A 24 253.696 239.614 264.864 1.00 0.00 C +ATOM 25 CA ALA A 25 254.874 239.821 261.247 1.00 0.00 C +ATOM 26 CA ARG A 26 255.328 241.700 257.963 1.00 0.00 C +ATOM 27 CA ARG A 27 252.203 241.889 255.791 1.00 0.00 C +ATOM 28 CA GLU A 28 250.325 244.050 253.278 1.00 0.00 C +ATOM 29 CA GLN A 29 249.867 247.691 252.253 1.00 0.00 C +ATOM 30 CA ARG A 30 247.495 250.184 250.618 1.00 0.00 C +ATOM 31 CA LYS A 31 244.165 251.473 249.288 1.00 0.00 C +ATOM 32 CA LYS A 32 242.974 250.368 245.842 1.00 0.00 C +ATOM 33 CA GLU A 33 243.156 253.476 243.646 1.00 0.00 C +ATOM 34 CA LYS A 34 239.990 255.479 242.953 1.00 0.00 C +ATOM 35 CA ALA A 35 236.693 254.163 241.569 1.00 0.00 C +ATOM 36 CA ASP A 36 233.835 252.987 239.341 1.00 0.00 C +ATOM 37 CA ARG A 37 230.527 254.771 239.966 1.00 0.00 C +ATOM 38 CA GLN A 38 230.086 257.928 242.054 1.00 0.00 C +ATOM 39 CA PRO A 39 229.521 258.477 245.781 1.00 0.00 C +ATOM 40 CA GLY A 40 232.282 259.123 248.326 1.00 0.00 C +ATOM 41 CA GLU A 41 234.440 258.876 251.456 1.00 0.00 C +ATOM 42 CA GLU A 42 235.775 255.673 253.029 1.00 0.00 C +ATOM 43 CA GLY A 43 238.741 255.665 255.420 1.00 0.00 C +ATOM 44 CA VAL A 44 242.400 256.016 254.417 1.00 0.00 C +ATOM 45 CA ASP A 45 245.892 254.714 255.212 1.00 0.00 C +ATOM 46 CA PRO A 46 248.882 256.746 256.413 1.00 0.00 C +ATOM 47 CA ASP A 47 252.060 258.099 254.805 1.00 0.00 C +ATOM 48 CA ILE A 48 255.481 259.723 255.227 1.00 0.00 C +ATOM 49 CA ALA A 49 257.204 262.549 253.338 1.00 0.00 C +ATOM 50 CA GLY A 50 255.346 265.482 251.771 1.00 0.00 C +ATOM 51 CA ILE A 51 255.436 269.265 252.218 1.00 0.00 C +ATOM 52 CA ILE A 52 254.513 272.531 250.486 1.00 0.00 C +ATOM 53 CA PRO A 53 256.556 275.432 249.099 1.00 0.00 C +ATOM 54 CA GLY A 54 260.355 275.691 248.952 1.00 0.00 C +ATOM 55 CA PRO A 55 262.599 275.525 252.027 1.00 0.00 C +ATOM 56 CA GLN A 56 265.847 277.383 252.742 1.00 0.00 C +ATOM 57 CA PRO A 57 269.170 277.457 250.879 1.00 0.00 C +ATOM 58 CA LEU A 58 272.147 278.448 253.040 1.00 0.00 C +ATOM 59 CA PRO A 59 271.214 278.994 256.693 1.00 0.00 C +ATOM 60 CA GLU A 60 273.257 277.039 259.247 1.00 0.00 C +ATOM 61 CA GLY A 61 273.188 278.788 262.631 1.00 0.00 C +ATOM 62 CA PHE A 62 273.656 281.128 265.601 1.00 0.00 C +TER 63 PHE A 62 +END diff --git a/Bacteria/Q08YQ7/Q08YQ7.dcd b/Bacteria/Q08YQ7/Q08YQ7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b9ed57fcb50ccb86afbc3dd3dcc7ecf38849f30d --- /dev/null +++ b/Bacteria/Q08YQ7/Q08YQ7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3ffa34b546b2676ba11ee638984ffae281c4d6f9d6e7aa6daffa7a349fe79a20 +size 6080276 diff --git a/Bacteria/Q08YQ7/top.pdb b/Bacteria/Q08YQ7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..80c6653bb7d41884e7733f4c0e017d8974d3110b --- /dev/null +++ b/Bacteria/Q08YQ7/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 ARG A 1 238.228 225.557 266.583 1.00 0.00 C +ATOM 2 CA GLU A 2 240.997 222.965 266.221 1.00 0.00 C +ATOM 3 CA CYS A 3 244.214 224.520 264.896 1.00 0.00 C +ATOM 4 CA ALA A 4 244.085 226.846 261.881 1.00 0.00 C +ATOM 5 CA GLU A 5 246.912 226.425 259.362 1.00 0.00 C +ATOM 6 CA GLN A 6 248.119 229.814 258.107 1.00 0.00 C +ATOM 7 CA ARG A 7 245.530 232.135 256.549 1.00 0.00 C +ATOM 8 CA PRO A 8 243.414 234.571 254.524 1.00 0.00 C +ATOM 9 CA GLN A 9 245.542 236.415 251.958 1.00 0.00 C +ATOM 10 CA GLN A 10 249.209 235.561 252.538 1.00 0.00 C +ATOM 11 CA VAL A 11 251.453 238.640 252.496 1.00 0.00 C +ATOM 12 CA ILE A 12 254.535 240.866 252.742 1.00 0.00 C +ATOM 13 CA LEU A 13 258.193 241.890 252.454 1.00 0.00 C +ATOM 14 CA ALA A 14 261.665 243.457 252.369 1.00 0.00 C +ATOM 15 CA ASP A 15 264.992 242.273 250.939 1.00 0.00 C +ATOM 16 CA GLU A 16 266.333 244.465 248.126 1.00 0.00 C +ATOM 17 CA ARG A 17 268.431 247.558 248.866 1.00 0.00 C +ATOM 18 CA LEU A 18 267.389 251.208 248.541 1.00 0.00 C +ATOM 19 CA ASP A 19 263.840 251.532 249.888 1.00 0.00 C +ATOM 20 CA GLN A 20 264.004 250.326 253.499 1.00 0.00 C +ATOM 21 CA ASP A 21 266.268 251.878 256.141 1.00 0.00 C +ATOM 22 CA GLY A 22 264.738 253.583 259.186 1.00 0.00 C +ATOM 23 CA VAL A 23 263.602 257.183 259.702 1.00 0.00 C +ATOM 24 CA HIS A 24 263.258 260.364 257.634 1.00 0.00 C +ATOM 25 CA PRO A 25 261.108 261.516 254.707 1.00 0.00 C +ATOM 26 CA GLN A 26 261.666 264.046 251.913 1.00 0.00 C +ATOM 27 CA GLY A 27 259.224 266.920 251.372 1.00 0.00 C +ATOM 28 CA GLN A 28 255.712 265.841 252.380 1.00 0.00 C +ATOM 29 CA ASP A 29 252.243 265.792 253.955 1.00 0.00 C +ATOM 30 CA ALA A 30 249.916 267.594 251.535 1.00 0.00 C +ATOM 31 CA GLY A 31 250.382 267.416 247.758 1.00 0.00 C +ATOM 32 CA ALA A 32 249.915 266.232 244.167 1.00 0.00 C +ATOM 33 CA HIS A 33 248.627 265.617 240.634 1.00 0.00 C +ATOM 34 CA SER A 34 248.257 263.936 237.235 1.00 0.00 C +ATOM 35 CA ALA A 35 244.743 264.591 235.916 1.00 0.00 C +ATOM 36 CA ILE A 36 241.492 266.032 234.549 1.00 0.00 C +ATOM 37 CA SER A 37 238.420 264.301 235.992 1.00 0.00 C +ATOM 38 CA GLY A 38 235.173 262.398 236.583 1.00 0.00 C +ATOM 39 CA SER A 39 233.082 260.488 239.131 1.00 0.00 C +ATOM 40 CA PHE A 40 230.295 258.231 240.418 1.00 0.00 C +ATOM 41 CA SER A 41 230.664 254.476 240.948 1.00 0.00 C +ATOM 42 CA ALA A 42 229.476 251.248 239.309 1.00 0.00 C +ATOM 43 CA SER A 43 228.216 247.657 239.496 1.00 0.00 C +ATOM 44 CA ARG A 44 226.437 245.641 236.796 1.00 0.00 C +TER 45 ARG A 44 +END diff --git a/Bacteria/Q08Z70/Q08Z70.dcd b/Bacteria/Q08Z70/Q08Z70.dcd new file mode 100644 index 0000000000000000000000000000000000000000..7c002b0587725d8d2d0d7bb96c6aa13f852d99d2 --- /dev/null +++ b/Bacteria/Q08Z70/Q08Z70.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c2b4283517cdf7f13a8d8011dad6511dbb682679493a300a769707f4089eeef4 +size 9560276 diff --git a/Bacteria/Q08Z70/top.pdb b/Bacteria/Q08Z70/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4f69a8fd401514f97f33775999a74eb1f6e04df2 --- /dev/null +++ b/Bacteria/Q08Z70/top.pdb @@ -0,0 +1,77 @@ +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 1 288.271 293.428 276.488 1.00 0.00 C +ATOM 2 CA ALA A 2 289.714 292.400 279.862 1.00 0.00 C +ATOM 3 CA MET A 3 287.626 289.824 281.739 1.00 0.00 C +ATOM 4 CA ASP A 4 286.496 290.089 285.367 1.00 0.00 C +ATOM 5 CA PRO A 5 282.997 288.742 286.044 1.00 0.00 C +ATOM 6 CA ILE A 6 281.109 286.876 283.311 1.00 0.00 C +ATOM 7 CA GLU A 7 279.131 283.643 283.702 1.00 0.00 C +ATOM 8 CA LYS A 8 278.412 279.926 283.281 1.00 0.00 C +ATOM 9 CA LEU A 9 275.518 277.625 282.359 1.00 0.00 C +ATOM 10 CA HIS A 10 273.597 274.628 281.002 1.00 0.00 C +ATOM 11 CA GLN A 11 272.723 271.595 278.868 1.00 0.00 C +ATOM 12 CA ARG A 12 269.414 270.284 277.509 1.00 0.00 C +ATOM 13 CA GLU A 13 268.939 267.121 275.439 1.00 0.00 C +ATOM 14 CA ARG A 14 267.093 265.012 272.858 1.00 0.00 C +ATOM 15 CA GLU A 15 267.130 261.627 271.111 1.00 0.00 C +ATOM 16 CA GLN A 16 265.501 261.057 267.714 1.00 0.00 C +ATOM 17 CA GLU A 17 265.566 262.343 264.128 1.00 0.00 C +ATOM 18 CA ARG A 18 264.732 261.221 260.584 1.00 0.00 C +ATOM 19 CA GLN A 19 262.211 258.762 259.130 1.00 0.00 C +ATOM 20 CA ARG A 20 263.833 255.397 258.381 1.00 0.00 C +ATOM 21 CA LEU A 21 263.385 252.103 256.520 1.00 0.00 C +ATOM 22 CA ARG A 22 264.606 248.544 257.123 1.00 0.00 C +ATOM 23 CA GLU A 23 268.024 247.996 255.531 1.00 0.00 C +ATOM 24 CA GLN A 24 267.318 247.063 251.905 1.00 0.00 C +ATOM 25 CA GLU A 25 264.518 244.734 250.786 1.00 0.00 C +ATOM 26 CA LEU A 26 262.238 243.979 247.829 1.00 0.00 C +ATOM 27 CA LYS A 27 260.667 241.992 244.982 1.00 0.00 C +ATOM 28 CA ASP A 28 258.500 240.487 242.234 1.00 0.00 C +ATOM 29 CA GLN A 29 255.291 239.624 240.370 1.00 0.00 C +ATOM 30 CA ASP A 30 253.822 238.127 237.189 1.00 0.00 C +ATOM 31 CA VAL A 31 252.786 235.216 234.960 1.00 0.00 C +ATOM 32 CA ASP A 32 250.052 232.786 233.894 1.00 0.00 C +ATOM 33 CA ALA A 33 250.163 229.119 234.923 1.00 0.00 C +ATOM 34 CA ARG A 34 246.539 228.058 235.429 1.00 0.00 C +ATOM 35 CA GLN A 35 243.454 229.948 236.621 1.00 0.00 C +ATOM 36 CA GLY A 36 239.665 230.297 236.414 1.00 0.00 C +ATOM 37 CA PRO A 37 238.157 226.994 235.259 1.00 0.00 C +ATOM 38 CA ARG A 38 234.999 224.881 235.529 1.00 0.00 C +ATOM 39 CA PRO A 39 232.429 223.671 238.068 1.00 0.00 C +ATOM 40 CA LEU A 40 232.268 226.229 240.887 1.00 0.00 C +ATOM 41 CA GLU A 41 232.688 227.515 244.449 1.00 0.00 C +ATOM 42 CA GLY A 42 229.378 228.957 245.665 1.00 0.00 C +ATOM 43 CA PHE A 43 226.240 230.049 247.530 1.00 0.00 C +ATOM 44 CA ALA A 44 225.792 233.813 247.141 1.00 0.00 C +ATOM 45 CA GLY A 45 222.955 235.769 245.516 1.00 0.00 C +ATOM 46 CA GLY A 46 222.012 237.290 242.153 1.00 0.00 C +ATOM 47 CA HIS A 47 222.578 237.663 238.403 1.00 0.00 C +ATOM 48 CA THR A 48 223.133 238.835 234.821 1.00 0.00 C +ATOM 49 CA THR A 49 224.013 241.368 232.114 1.00 0.00 C +ATOM 50 CA TRP A 50 225.543 244.067 229.902 1.00 0.00 C +ATOM 51 CA THR A 51 229.068 245.072 228.864 1.00 0.00 C +ATOM 52 CA GLY A 52 231.633 247.837 228.323 1.00 0.00 C +ATOM 53 CA GLN A 53 232.523 249.171 231.779 1.00 0.00 C +ATOM 54 CA GLN A 54 233.596 251.282 234.764 1.00 0.00 C +ATOM 55 CA GLU A 55 236.861 252.711 236.109 1.00 0.00 C +ATOM 56 CA GLY A 56 239.708 254.712 237.661 1.00 0.00 C +ATOM 57 CA ALA A 57 238.891 255.178 241.353 1.00 0.00 C +ATOM 58 CA GLU A 58 240.096 252.424 243.694 1.00 0.00 C +ATOM 59 CA ASP A 59 239.103 248.977 244.980 1.00 0.00 C +ATOM 60 CA SER A 60 236.863 247.361 247.605 1.00 0.00 C +ATOM 61 CA CYS A 61 236.839 243.885 249.165 1.00 0.00 C +ATOM 62 CA THR A 62 234.907 240.699 248.371 1.00 0.00 C +ATOM 63 CA ARG A 63 231.449 241.464 246.968 1.00 0.00 C +ATOM 64 CA GLU A 64 231.265 243.815 243.976 1.00 0.00 C +ATOM 65 CA ALA A 65 231.975 245.398 240.584 1.00 0.00 C +ATOM 66 CA GLU A 66 235.007 247.662 240.138 1.00 0.00 C +ATOM 67 CA SER A 67 238.647 247.581 239.017 1.00 0.00 C +ATOM 68 CA ALA A 68 240.466 244.929 236.973 1.00 0.00 C +ATOM 69 CA SER A 69 242.866 242.795 239.022 1.00 0.00 C +ATOM 70 CA VAL A 70 245.890 241.322 237.233 1.00 0.00 C +ATOM 71 CA GLU A 71 246.096 241.767 233.455 1.00 0.00 C +ATOM 72 CA GLU A 72 245.399 241.665 229.711 1.00 0.00 C +ATOM 73 CA PRO A 73 247.624 243.519 227.236 1.00 0.00 C +TER 74 PRO A 73 +END diff --git a/Bacteria/Q08Z96/Q08Z96.dcd b/Bacteria/Q08Z96/Q08Z96.dcd new file mode 100644 index 0000000000000000000000000000000000000000..0e71c2478d24bc809c729bb6c17eb2c0902e72e1 --- /dev/null +++ b/Bacteria/Q08Z96/Q08Z96.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7f97045cb9aacc3cd0ff73e055a27884024f5e7c1e0a219a8a7af70fd29e3d4c +size 6800276 diff --git a/Bacteria/Q08Z96/top.pdb b/Bacteria/Q08Z96/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..66e75422421b6acd25b3a2efc17da4940ec19168 --- /dev/null +++ b/Bacteria/Q08Z96/top.pdb @@ -0,0 +1,54 @@ +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 1 244.753 255.616 280.632 1.00 0.00 C +ATOM 2 CA PRO A 2 247.429 255.761 277.924 1.00 0.00 C +ATOM 3 CA GLN A 3 247.053 257.018 274.347 1.00 0.00 C +ATOM 4 CA ALA A 4 249.424 257.165 271.367 1.00 0.00 C +ATOM 5 CA HIS A 5 251.170 254.866 268.881 1.00 0.00 C +ATOM 6 CA GLY A 6 248.436 253.883 266.416 1.00 0.00 C +ATOM 7 CA ILE A 7 249.668 251.709 263.539 1.00 0.00 C +ATOM 8 CA LEU A 8 250.290 251.016 259.845 1.00 0.00 C +ATOM 9 CA SER A 9 251.131 247.323 259.428 1.00 0.00 C +ATOM 10 CA PRO A 10 250.573 246.153 255.845 1.00 0.00 C +ATOM 11 CA GLN A 11 246.782 245.979 255.507 1.00 0.00 C +ATOM 12 CA GLU A 12 244.685 247.835 252.924 1.00 0.00 C +ATOM 13 CA GLU A 13 244.087 247.003 249.254 1.00 0.00 C +ATOM 14 CA ALA A 14 246.605 245.453 246.851 1.00 0.00 C +ATOM 15 CA GLU A 15 249.887 244.073 245.494 1.00 0.00 C +ATOM 16 CA PRO A 16 249.979 243.985 241.687 1.00 0.00 C +ATOM 17 CA GLY A 17 252.085 246.628 239.926 1.00 0.00 C +ATOM 18 CA GLN A 18 254.380 248.107 242.584 1.00 0.00 C +ATOM 19 CA GLU A 19 255.281 247.578 246.248 1.00 0.00 C +ATOM 20 CA GLU A 20 257.346 244.492 247.102 1.00 0.00 C +ATOM 21 CA ALA A 21 258.712 243.370 250.477 1.00 0.00 C +ATOM 22 CA SER A 22 261.366 242.471 253.059 1.00 0.00 C +ATOM 23 CA PRO A 23 263.948 240.335 251.246 1.00 0.00 C +ATOM 24 CA ALA A 24 267.490 238.936 251.358 1.00 0.00 C +ATOM 25 CA LEU A 25 270.547 237.472 249.619 1.00 0.00 C +ATOM 26 CA ALA A 26 271.238 237.960 245.904 1.00 0.00 C +ATOM 27 CA ALA A 27 267.810 238.521 244.340 1.00 0.00 C +ATOM 28 CA THR A 28 264.587 236.775 245.380 1.00 0.00 C +ATOM 29 CA VAL A 29 261.540 235.273 243.655 1.00 0.00 C +ATOM 30 CA GLU A 30 258.020 236.189 242.521 1.00 0.00 C +ATOM 31 CA SER A 31 255.348 238.901 242.677 1.00 0.00 C +ATOM 32 CA THR A 32 254.101 240.098 239.282 1.00 0.00 C +ATOM 33 CA ARG A 33 251.757 241.229 236.499 1.00 0.00 C +ATOM 34 CA GLN A 34 248.781 241.442 234.129 1.00 0.00 C +ATOM 35 CA ARG A 35 245.812 243.295 232.623 1.00 0.00 C +ATOM 36 CA THR A 36 245.753 246.711 230.937 1.00 0.00 C +ATOM 37 CA PRO A 37 246.820 249.297 233.524 1.00 0.00 C +ATOM 38 CA ARG A 38 246.100 252.307 235.747 1.00 0.00 C +ATOM 39 CA TRP A 39 243.553 253.464 238.332 1.00 0.00 C +ATOM 40 CA ASP A 40 243.532 257.271 238.467 1.00 0.00 C +ATOM 41 CA GLY A 41 241.526 259.283 241.005 1.00 0.00 C +ATOM 42 CA ALA A 42 242.711 262.431 242.795 1.00 0.00 C +ATOM 43 CA GLY A 43 239.615 263.776 244.563 1.00 0.00 C +ATOM 44 CA LEU A 44 240.073 267.407 245.621 1.00 0.00 C +ATOM 45 CA LEU A 45 239.251 268.290 249.235 1.00 0.00 C +ATOM 46 CA ARG A 46 236.708 267.435 251.940 1.00 0.00 C +ATOM 47 CA ARG A 47 236.296 269.627 255.029 1.00 0.00 C +ATOM 48 CA THR A 48 235.763 267.231 257.942 1.00 0.00 C +ATOM 49 CA LEU A 49 235.144 267.010 261.695 1.00 0.00 C +ATOM 50 CA ALA A 50 235.054 264.548 264.602 1.00 0.00 C +TER 51 ALA A 50 +END diff --git a/Bacteria/Q08ZL6/Q08ZL6.dcd b/Bacteria/Q08ZL6/Q08ZL6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a91f2f244bc686e959a119343a8d2073dd7e9475 --- /dev/null +++ b/Bacteria/Q08ZL6/Q08ZL6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e9c0ac7003643559880205e4e8af8a8c79e9e24563cf74e506b6b36306859353 +size 12080276 diff --git a/Bacteria/Q08ZL6/top.pdb b/Bacteria/Q08ZL6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..80230b056af49265e1b00ab84aca579a8902870c --- /dev/null +++ b/Bacteria/Q08ZL6/top.pdb @@ -0,0 +1,98 @@ +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 1 211.248 238.157 261.634 1.00 0.00 C +ATOM 2 CA ALA A 2 212.260 239.833 264.902 1.00 0.00 C +ATOM 3 CA THR A 3 215.072 241.627 266.744 1.00 0.00 C +ATOM 4 CA GLN A 4 218.162 239.444 266.293 1.00 0.00 C +ATOM 5 CA GLU A 5 221.558 238.310 267.595 1.00 0.00 C +ATOM 6 CA LYS A 6 225.151 239.561 267.387 1.00 0.00 C +ATOM 7 CA LYS A 7 227.656 236.751 266.797 1.00 0.00 C +ATOM 8 CA GLN A 8 231.006 236.207 268.529 1.00 0.00 C +ATOM 9 CA PRO A 9 230.484 236.278 272.302 1.00 0.00 C +ATOM 10 CA GLY A 10 228.842 233.008 273.365 1.00 0.00 C +ATOM 11 CA THR A 11 230.239 230.287 271.093 1.00 0.00 C +ATOM 12 CA GLN A 12 232.630 228.720 268.574 1.00 0.00 C +ATOM 13 CA PRO A 13 233.156 225.063 267.641 1.00 0.00 C +ATOM 14 CA ALA A 14 232.611 221.742 265.855 1.00 0.00 C +ATOM 15 CA GLU A 15 231.507 218.219 264.914 1.00 0.00 C +ATOM 16 CA ASP A 16 227.972 216.972 264.230 1.00 0.00 C +ATOM 17 CA MET A 17 227.668 214.432 261.407 1.00 0.00 C +ATOM 18 CA PHE A 18 225.611 214.575 258.203 1.00 0.00 C +ATOM 19 CA GLY A 19 221.985 214.070 257.148 1.00 0.00 C +ATOM 20 CA ARG A 20 218.598 212.590 258.071 1.00 0.00 C +ATOM 21 CA PRO A 21 216.275 215.323 259.354 1.00 0.00 C +ATOM 22 CA THR A 22 216.341 218.579 257.377 1.00 0.00 C +ATOM 23 CA SER A 23 217.434 221.730 255.535 1.00 0.00 C +ATOM 24 CA PRO A 24 220.236 223.347 253.522 1.00 0.00 C +ATOM 25 CA HIS A 25 222.837 224.877 255.848 1.00 0.00 C +ATOM 26 CA PRO A 26 225.480 227.289 257.157 1.00 0.00 C +ATOM 27 CA GLN A 27 228.941 226.868 255.621 1.00 0.00 C +ATOM 28 CA GLU A 28 231.896 227.850 253.426 1.00 0.00 C +ATOM 29 CA PRO A 29 233.355 229.700 250.432 1.00 0.00 C +ATOM 30 CA SER A 30 233.270 233.508 250.322 1.00 0.00 C +ATOM 31 CA GLU A 31 233.365 237.275 249.763 1.00 0.00 C +ATOM 32 CA ARG A 32 230.944 240.217 249.817 1.00 0.00 C +ATOM 33 CA PRO A 33 230.328 243.960 250.176 1.00 0.00 C +ATOM 34 CA ARG A 34 231.490 246.668 247.761 1.00 0.00 C +ATOM 35 CA GLN A 35 228.818 247.638 245.224 1.00 0.00 C +ATOM 36 CA GLU A 36 229.541 251.183 244.029 1.00 0.00 C +ATOM 37 CA PRO A 37 228.848 253.530 246.950 1.00 0.00 C +ATOM 38 CA PRO A 38 231.519 254.117 249.603 1.00 0.00 C +ATOM 39 CA ASP A 39 233.123 253.503 253.004 1.00 0.00 C +ATOM 40 CA ALA A 40 236.017 251.384 254.288 1.00 0.00 C +ATOM 41 CA GLY A 41 236.270 248.004 252.547 1.00 0.00 C +ATOM 42 CA ALA A 42 239.575 247.164 250.848 1.00 0.00 C +ATOM 43 CA GLY A 43 241.172 249.123 247.998 1.00 0.00 C +ATOM 44 CA LYS A 44 244.045 251.487 248.818 1.00 0.00 C +ATOM 45 CA ARG A 45 247.105 251.633 246.553 1.00 0.00 C +ATOM 46 CA ALA A 46 250.468 250.272 247.714 1.00 0.00 C +ATOM 47 CA ARG A 47 253.443 251.469 245.656 1.00 0.00 C +ATOM 48 CA GLU A 48 255.989 249.343 243.782 1.00 0.00 C +ATOM 49 CA ASP A 49 258.995 251.473 242.812 1.00 0.00 C +ATOM 50 CA GLU A 50 260.789 252.019 239.496 1.00 0.00 C +ATOM 51 CA GLU A 51 259.268 250.782 236.230 1.00 0.00 C +ATOM 52 CA GLU A 52 255.471 250.973 236.484 1.00 0.00 C +ATOM 53 CA GLU A 53 253.978 254.185 235.081 1.00 0.00 C +ATOM 54 CA GLU A 54 252.918 257.842 234.947 1.00 0.00 C +ATOM 55 CA GLU A 55 251.187 261.012 233.734 1.00 0.00 C +ATOM 56 CA SER A 56 250.207 264.660 234.231 1.00 0.00 C +ATOM 57 CA ASP A 57 248.389 266.664 236.914 1.00 0.00 C +ATOM 58 CA GLU A 58 250.052 269.310 239.093 1.00 0.00 C +ATOM 59 CA GLU A 59 248.979 272.963 239.250 1.00 0.00 C +ATOM 60 CA HIS A 60 251.596 275.644 239.942 1.00 0.00 C +ATOM 61 CA GLY A 61 255.374 275.729 239.463 1.00 0.00 C +ATOM 62 CA ARG A 62 256.657 273.751 236.470 1.00 0.00 C +ATOM 63 CA GLY A 63 259.391 271.425 237.746 1.00 0.00 C +ATOM 64 CA GLY A 64 259.024 268.785 240.469 1.00 0.00 C +ATOM 65 CA ILE A 65 261.469 266.533 242.331 1.00 0.00 C +ATOM 66 CA ASP A 66 264.937 267.340 243.686 1.00 0.00 C +ATOM 67 CA ASP A 67 268.715 267.539 243.239 1.00 0.00 C +ATOM 68 CA ILE A 68 270.136 265.763 240.183 1.00 0.00 C +ATOM 69 CA PRO A 69 271.724 265.335 236.746 1.00 0.00 C +ATOM 70 CA ASP A 70 272.100 268.034 234.084 1.00 0.00 C +ATOM 71 CA GLY A 71 270.556 267.973 230.602 1.00 0.00 C +ATOM 72 CA ASP A 72 272.310 270.181 228.039 1.00 0.00 C +ATOM 73 CA GLY A 73 275.012 272.802 228.623 1.00 0.00 C +ATOM 74 CA PRO A 74 277.447 272.943 231.550 1.00 0.00 C +ATOM 75 CA ARG A 75 280.140 270.254 231.723 1.00 0.00 C +ATOM 76 CA SER A 76 279.326 267.829 234.547 1.00 0.00 C +ATOM 77 CA ASP A 77 280.560 266.308 237.815 1.00 0.00 C +ATOM 78 CA ARG A 78 281.346 262.794 239.060 1.00 0.00 C +ATOM 79 CA GLY A 79 281.260 260.354 241.985 1.00 0.00 C +ATOM 80 CA THR A 80 280.062 257.935 244.674 1.00 0.00 C +ATOM 81 CA ASN A 81 278.268 258.589 247.971 1.00 0.00 C +ATOM 82 CA PRO A 82 280.386 257.705 251.012 1.00 0.00 C +ATOM 83 CA LEU A 83 283.837 259.317 250.912 1.00 0.00 C +ATOM 84 CA PRO A 84 286.366 258.043 253.460 1.00 0.00 C +ATOM 85 CA THR A 85 286.835 257.736 257.229 1.00 0.00 C +ATOM 86 CA VAL A 86 288.092 260.979 258.785 1.00 0.00 C +ATOM 87 CA TYR A 87 289.653 264.176 260.149 1.00 0.00 C +ATOM 88 CA TRP A 88 292.782 266.167 261.022 1.00 0.00 C +ATOM 89 CA THR A 89 292.758 269.777 259.804 1.00 0.00 C +ATOM 90 CA SER A 90 291.279 271.765 256.909 1.00 0.00 C +ATOM 91 CA TYR A 91 287.795 273.000 255.984 1.00 0.00 C +ATOM 92 CA PRO A 92 284.158 273.784 255.165 1.00 0.00 C +ATOM 93 CA GLY A 93 282.736 270.595 253.641 1.00 0.00 C +ATOM 94 CA ASP A 94 284.139 268.350 250.900 1.00 0.00 C +TER 95 ASP A 94 +END diff --git a/Bacteria/Q08ZQ7/Q08ZQ7.dcd b/Bacteria/Q08ZQ7/Q08ZQ7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8b7823c6f0a2693e22a4dc5e0d1473e0090086c3 --- /dev/null +++ b/Bacteria/Q08ZQ7/Q08ZQ7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:030ab66feda27542a754407002e2674000f752994b07d15a5289d5ee3da21fc4 +size 15920276 diff --git a/Bacteria/Q08ZQ7/top.pdb b/Bacteria/Q08ZQ7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d54a1f4d4a6b2edf5e0ccc6c7b0fbd0328d4904e --- /dev/null +++ b/Bacteria/Q08ZQ7/top.pdb @@ -0,0 +1,130 @@ +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 1 278.514 263.411 280.740 1.00 0.00 C +ATOM 2 CA ALA A 2 275.643 260.987 280.109 1.00 0.00 C +ATOM 3 CA LEU A 3 273.159 259.860 277.449 1.00 0.00 C +ATOM 4 CA PRO A 4 274.513 259.353 273.924 1.00 0.00 C +ATOM 5 CA SER A 5 276.542 257.218 271.507 1.00 0.00 C +ATOM 6 CA ALA A 6 276.967 254.421 268.954 1.00 0.00 C +ATOM 7 CA LEU A 7 276.945 255.520 265.306 1.00 0.00 C +ATOM 8 CA GLU A 8 277.043 257.389 261.988 1.00 0.00 C +ATOM 9 CA SER A 9 274.231 258.115 259.522 1.00 0.00 C +ATOM 10 CA ARG A 10 272.597 260.925 257.534 1.00 0.00 C +ATOM 11 CA HIS A 11 270.144 263.589 256.351 1.00 0.00 C +ATOM 12 CA PRO A 12 267.505 265.043 258.683 1.00 0.00 C +ATOM 13 CA GLY A 13 264.737 267.657 258.824 1.00 0.00 C +ATOM 14 CA LEU A 14 261.820 270.073 259.234 1.00 0.00 C +ATOM 15 CA PRO A 15 258.493 268.367 259.971 1.00 0.00 C +ATOM 16 CA GLN A 16 255.405 266.454 261.118 1.00 0.00 C +ATOM 17 CA ALA A 17 253.327 265.762 258.001 1.00 0.00 C +ATOM 18 CA PRO A 18 252.861 261.990 257.733 1.00 0.00 C +ATOM 19 CA GLN A 19 250.525 259.117 258.632 1.00 0.00 C +ATOM 20 CA ARG A 20 247.243 257.572 257.467 1.00 0.00 C +ATOM 21 CA ARG A 21 245.632 254.898 255.282 1.00 0.00 C +ATOM 22 CA GLU A 22 243.138 252.174 254.350 1.00 0.00 C +ATOM 23 CA GLN A 23 241.334 252.703 251.035 1.00 0.00 C +ATOM 24 CA GLY A 24 240.126 256.309 250.807 1.00 0.00 C +ATOM 25 CA GLN A 25 241.868 259.020 248.776 1.00 0.00 C +ATOM 26 CA PRO A 26 240.443 262.537 249.112 1.00 0.00 C +ATOM 27 CA GLN A 27 237.375 264.741 248.611 1.00 0.00 C +ATOM 28 CA GLY A 28 236.411 266.160 252.012 1.00 0.00 C +ATOM 29 CA ASN A 29 236.737 266.291 255.806 1.00 0.00 C +ATOM 30 CA GLN A 30 234.931 263.748 257.994 1.00 0.00 C +ATOM 31 CA HIS A 31 234.450 260.420 259.786 1.00 0.00 C +ATOM 32 CA ALA A 32 231.244 258.620 258.789 1.00 0.00 C +ATOM 33 CA GLY A 33 228.508 259.807 256.417 1.00 0.00 C +ATOM 34 CA ASP A 34 226.226 260.147 253.385 1.00 0.00 C +ATOM 35 CA GLN A 35 223.765 259.200 250.635 1.00 0.00 C +ATOM 36 CA GLU A 36 220.380 260.889 250.185 1.00 0.00 C +ATOM 37 CA GLU A 37 218.959 260.971 246.651 1.00 0.00 C +ATOM 38 CA GLN A 38 220.305 259.813 243.280 1.00 0.00 C +ATOM 39 CA HIS A 39 219.871 260.336 239.531 1.00 0.00 C +ATOM 40 CA LEU A 40 220.473 262.928 236.804 1.00 0.00 C +ATOM 41 CA PHE A 41 222.588 262.447 233.672 1.00 0.00 C +ATOM 42 CA GLN A 42 224.487 260.307 231.155 1.00 0.00 C +ATOM 43 CA GLY A 43 228.126 261.433 231.118 1.00 0.00 C +ATOM 44 CA ASN A 44 230.403 258.414 230.653 1.00 0.00 C +ATOM 45 CA LEU A 45 233.484 257.493 232.697 1.00 0.00 C +ATOM 46 CA PRO A 46 236.864 258.982 231.761 1.00 0.00 C +ATOM 47 CA GLN A 47 239.583 257.927 234.212 1.00 0.00 C +ATOM 48 CA VAL A 48 240.744 256.307 237.459 1.00 0.00 C +ATOM 49 CA ASP A 49 238.027 256.482 240.124 1.00 0.00 C +ATOM 50 CA PRO A 50 237.282 260.080 241.132 1.00 0.00 C +ATOM 51 CA GLN A 51 234.757 261.609 243.541 1.00 0.00 C +ATOM 52 CA VAL A 52 231.543 262.474 241.687 1.00 0.00 C +ATOM 53 CA LEU A 53 227.878 262.827 242.668 1.00 0.00 C +ATOM 54 CA ALA A 54 226.407 260.537 245.334 1.00 0.00 C +ATOM 55 CA LEU A 55 228.831 258.268 247.202 1.00 0.00 C +ATOM 56 CA ALA A 56 230.482 254.970 246.244 1.00 0.00 C +ATOM 57 CA GLU A 57 231.268 253.610 242.774 1.00 0.00 C +ATOM 58 CA VAL A 58 232.286 253.514 239.103 1.00 0.00 C +ATOM 59 CA PRO A 59 230.061 253.827 236.026 1.00 0.00 C +ATOM 60 CA ASP A 60 226.991 251.607 236.429 1.00 0.00 C +ATOM 61 CA ALA A 61 223.984 253.200 234.715 1.00 0.00 C +ATOM 62 CA ARG A 62 222.205 250.461 232.753 1.00 0.00 C +ATOM 63 CA GLY A 63 219.699 248.525 234.872 1.00 0.00 C +ATOM 64 CA ASP A 64 220.002 247.131 238.404 1.00 0.00 C +ATOM 65 CA GLY A 65 219.307 244.801 241.338 1.00 0.00 C +ATOM 66 CA GLN A 66 220.385 242.738 244.355 1.00 0.00 C +ATOM 67 CA VAL A 67 221.394 242.994 248.020 1.00 0.00 C +ATOM 68 CA VAL A 68 221.629 244.496 251.513 1.00 0.00 C +ATOM 69 CA ARG A 69 224.557 245.236 253.836 1.00 0.00 C +ATOM 70 CA ASP A 70 228.251 244.780 254.648 1.00 0.00 C +ATOM 71 CA ARG A 71 231.991 245.501 254.536 1.00 0.00 C +ATOM 72 CA GLN A 72 233.783 242.180 255.056 1.00 0.00 C +ATOM 73 CA VAL A 73 237.257 240.964 254.073 1.00 0.00 C +ATOM 74 CA GLY A 74 240.612 242.360 252.927 1.00 0.00 C +ATOM 75 CA PRO A 75 241.833 245.391 250.968 1.00 0.00 C +ATOM 76 CA HIS A 76 244.405 246.359 248.329 1.00 0.00 C +ATOM 77 CA HIS A 77 247.734 244.536 248.665 1.00 0.00 C +ATOM 78 CA GLU A 78 250.295 242.988 251.022 1.00 0.00 C +ATOM 79 CA GLY A 79 249.215 239.358 251.438 1.00 0.00 C +ATOM 80 CA ARG A 80 252.248 237.459 252.747 1.00 0.00 C +ATOM 81 CA TRP A 81 250.940 234.458 254.696 1.00 0.00 C +ATOM 82 CA GLN A 82 247.594 233.499 253.147 1.00 0.00 C +ATOM 83 CA HIS A 83 247.310 230.413 250.931 1.00 0.00 C +ATOM 84 CA ARG A 84 245.025 227.549 251.975 1.00 0.00 C +ATOM 85 CA PRO A 85 242.408 228.597 254.539 1.00 0.00 C +ATOM 86 CA GLN A 86 240.877 230.189 257.643 1.00 0.00 C +ATOM 87 CA HIS A 87 241.446 230.659 261.381 1.00 0.00 C +ATOM 88 CA ARG A 88 240.828 227.398 263.252 1.00 0.00 C +ATOM 89 CA PRO A 89 242.142 225.928 266.512 1.00 0.00 C +ATOM 90 CA ARG A 90 244.834 227.514 268.692 1.00 0.00 C +ATOM 91 CA ALA A 91 248.485 227.485 267.602 1.00 0.00 C +ATOM 92 CA LEU A 92 250.091 227.032 264.177 1.00 0.00 C +ATOM 93 CA ALA A 93 252.903 226.125 261.772 1.00 0.00 C +ATOM 94 CA VAL A 94 255.189 225.457 258.797 1.00 0.00 C +ATOM 95 CA VAL A 95 255.498 226.501 255.147 1.00 0.00 C +ATOM 96 CA PRO A 96 254.580 228.188 251.856 1.00 0.00 C +ATOM 97 CA GLU A 97 256.153 231.354 250.435 1.00 0.00 C +ATOM 98 CA GLN A 98 258.016 232.994 253.326 1.00 0.00 C +ATOM 99 CA HIS A 99 260.819 231.494 255.425 1.00 0.00 C +ATOM 100 CA PRO A 100 263.854 229.192 255.416 1.00 0.00 C +ATOM 101 CA GLN A 101 267.033 229.634 253.362 1.00 0.00 C +ATOM 102 CA LEU A 102 266.076 231.507 250.185 1.00 0.00 C +ATOM 103 CA GLU A 103 267.695 233.437 247.326 1.00 0.00 C +ATOM 104 CA GLY A 104 267.317 231.520 244.055 1.00 0.00 C +ATOM 105 CA ASP A 105 270.304 232.558 241.931 1.00 0.00 C +ATOM 106 CA ASP A 106 269.996 235.733 239.849 1.00 0.00 C +ATOM 107 CA GLY A 107 267.214 238.283 240.376 1.00 0.00 C +ATOM 108 CA GLN A 108 265.149 241.379 239.560 1.00 0.00 C +ATOM 109 CA ARG A 109 266.450 244.520 241.281 1.00 0.00 C +ATOM 110 CA PRO A 110 269.457 246.702 240.437 1.00 0.00 C +ATOM 111 CA PRO A 111 272.240 249.302 240.551 1.00 0.00 C +ATOM 112 CA GLN A 112 273.583 252.614 241.870 1.00 0.00 C +ATOM 113 CA GLN A 113 276.952 253.645 240.420 1.00 0.00 C +ATOM 114 CA VAL A 114 280.021 253.634 242.677 1.00 0.00 C +ATOM 115 CA ASN A 115 280.598 256.999 244.369 1.00 0.00 C +ATOM 116 CA GLU A 116 283.924 258.730 243.696 1.00 0.00 C +ATOM 117 CA VAL A 117 285.559 260.137 246.837 1.00 0.00 C +ATOM 118 CA GLY A 118 287.158 259.048 250.118 1.00 0.00 C +ATOM 119 CA PRO A 119 290.458 257.154 250.330 1.00 0.00 C +ATOM 120 CA ALA A 120 291.330 256.287 246.724 1.00 0.00 C +ATOM 121 CA PRO A 121 293.021 256.550 243.320 1.00 0.00 C +ATOM 122 CA LEU A 122 293.990 253.366 241.465 1.00 0.00 C +ATOM 123 CA PRO A 123 292.706 251.551 238.371 1.00 0.00 C +ATOM 124 CA SER A 124 289.557 250.147 236.750 1.00 0.00 C +ATOM 125 CA ALA A 125 286.330 248.553 238.001 1.00 0.00 C +ATOM 126 CA ARG A 126 283.619 245.878 237.919 1.00 0.00 C +TER 127 ARG A 126 +END diff --git a/Bacteria/Q090F9/Q090F9.dcd b/Bacteria/Q090F9/Q090F9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..932a69dbebb7b7efe69472e4174bd09a53a0360d --- /dev/null +++ b/Bacteria/Q090F9/Q090F9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6e9c2f1acb4196426572fb2650e60a1e1d9c7e10d943bfc4fced04f6501f3be4 +size 4400276 diff --git a/Bacteria/Q090F9/top.pdb b/Bacteria/Q090F9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9da0fb89066024e12cc7f434ca9068c92962df1e --- /dev/null +++ b/Bacteria/Q090F9/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 1 242.937 249.156 250.602 1.00 0.00 C +ATOM 2 CA LYS A 2 246.367 247.534 250.253 1.00 0.00 C +ATOM 3 CA PRO A 3 249.476 249.535 251.176 1.00 0.00 C +ATOM 4 CA GLY A 4 253.023 250.892 251.480 1.00 0.00 C +ATOM 5 CA GLY A 5 255.190 253.216 249.378 1.00 0.00 C +ATOM 6 CA GLY A 6 254.188 256.871 249.773 1.00 0.00 C +ATOM 7 CA VAL A 7 253.685 258.129 253.334 1.00 0.00 C +ATOM 8 CA ARG A 8 251.100 258.235 256.131 1.00 0.00 C +ATOM 9 CA GLU A 9 247.722 258.509 257.873 1.00 0.00 C +ATOM 10 CA GLY A 10 243.982 259.234 257.856 1.00 0.00 C +ATOM 11 CA PHE A 11 240.293 259.277 256.904 1.00 0.00 C +ATOM 12 CA ARG A 12 239.357 255.648 256.222 1.00 0.00 C +ATOM 13 CA ARG A 13 241.334 252.431 256.734 1.00 0.00 C +ATOM 14 CA VAL A 14 243.895 249.613 256.840 1.00 0.00 C +ATOM 15 CA SER A 15 243.576 246.536 259.064 1.00 0.00 C +ATOM 16 CA PRO A 16 243.324 242.987 260.427 1.00 0.00 C +ATOM 17 CA ARG A 17 243.741 239.991 258.111 1.00 0.00 C +ATOM 18 CA TRP A 18 247.175 240.105 256.464 1.00 0.00 C +ATOM 19 CA SER A 19 249.291 242.245 254.129 1.00 0.00 C +ATOM 20 CA LYS A 20 251.283 240.055 251.731 1.00 0.00 C +ATOM 21 CA LYS A 21 254.601 240.524 249.918 1.00 0.00 C +ATOM 22 CA PRO A 22 256.619 242.702 247.531 1.00 0.00 C +ATOM 23 CA LEU A 23 258.003 246.217 247.032 1.00 0.00 C +ATOM 24 CA SER A 24 258.959 246.530 243.357 1.00 0.00 C +ATOM 25 CA PRO A 25 258.255 246.162 239.631 1.00 0.00 C +ATOM 26 CA ALA A 26 256.248 248.839 237.808 1.00 0.00 C +ATOM 27 CA MET A 27 257.911 251.801 236.082 1.00 0.00 C +ATOM 28 CA PRO A 28 255.564 254.084 234.135 1.00 0.00 C +ATOM 29 CA ILE A 29 251.825 254.650 234.600 1.00 0.00 C +ATOM 30 CA GLU A 30 251.073 258.294 235.420 1.00 0.00 C +TER 31 GLU A 30 +END diff --git a/Bacteria/Q090H5/Q090H5.dcd b/Bacteria/Q090H5/Q090H5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c80a5cbd1c70d2a72e7fec99e5ae99171b03500e --- /dev/null +++ b/Bacteria/Q090H5/Q090H5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2c03357fa6640ef685b34e72da46c9415c8f607de1d1e4f215d1e733f37acf48 +size 8960276 diff --git a/Bacteria/Q090H5/top.pdb b/Bacteria/Q090H5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7058faa23dbc559effef44e6530c53df40a7bbbe --- /dev/null +++ b/Bacteria/Q090H5/top.pdb @@ -0,0 +1,72 @@ +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 1 212.630 287.131 232.187 1.00 0.00 C +ATOM 2 CA PRO A 2 211.200 287.097 235.718 1.00 0.00 C +ATOM 3 CA TYR A 3 211.727 284.594 238.541 1.00 0.00 C +ATOM 4 CA GLU A 4 214.328 281.827 238.225 1.00 0.00 C +ATOM 5 CA ASP A 5 217.682 280.022 238.318 1.00 0.00 C +ATOM 6 CA THR A 6 220.759 278.426 236.737 1.00 0.00 C +ATOM 7 CA GLN A 7 223.502 277.017 238.974 1.00 0.00 C +ATOM 8 CA LEU A 8 222.055 274.816 241.727 1.00 0.00 C +ATOM 9 CA GLY A 9 220.605 271.895 243.698 1.00 0.00 C +ATOM 10 CA GLU A 10 223.371 270.148 245.651 1.00 0.00 C +ATOM 11 CA HIS A 11 224.773 266.605 245.665 1.00 0.00 C +ATOM 12 CA GLU A 12 225.313 265.125 249.134 1.00 0.00 C +ATOM 13 CA ALA A 13 227.774 262.997 251.117 1.00 0.00 C +ATOM 14 CA GLY A 14 229.950 260.405 252.868 1.00 0.00 C +ATOM 15 CA PRO A 15 232.454 258.561 250.668 1.00 0.00 C +ATOM 16 CA SER A 16 232.354 258.400 246.862 1.00 0.00 C +ATOM 17 CA GLN A 17 235.656 257.253 245.347 1.00 0.00 C +ATOM 18 CA ASP A 18 235.225 255.405 242.042 1.00 0.00 C +ATOM 19 CA ALA A 19 235.429 251.617 241.695 1.00 0.00 C +ATOM 20 CA ALA A 20 235.202 248.576 239.410 1.00 0.00 C +ATOM 21 CA PRO A 21 235.671 244.798 239.282 1.00 0.00 C +ATOM 22 CA ASP A 22 237.390 241.809 240.903 1.00 0.00 C +ATOM 23 CA GLU A 23 240.864 241.342 242.396 1.00 0.00 C +ATOM 24 CA ALA A 24 244.194 239.498 242.235 1.00 0.00 C +ATOM 25 CA PRO A 25 247.917 238.689 242.223 1.00 0.00 C +ATOM 26 CA GLY A 26 250.237 238.010 245.169 1.00 0.00 C +ATOM 27 CA ARG A 27 250.295 235.010 247.517 1.00 0.00 C +ATOM 28 CA THR A 28 253.141 232.485 247.326 1.00 0.00 C +ATOM 29 CA PRO A 29 256.262 230.908 248.838 1.00 0.00 C +ATOM 30 CA ASN A 30 259.454 228.994 249.654 1.00 0.00 C +ATOM 31 CA SER A 31 262.074 226.592 251.025 1.00 0.00 C +ATOM 32 CA ALA A 32 264.012 227.550 254.163 1.00 0.00 C +ATOM 33 CA GLU A 33 261.855 227.544 257.304 1.00 0.00 C +ATOM 34 CA GLY A 34 258.860 229.860 257.737 1.00 0.00 C +ATOM 35 CA LYS A 35 259.911 233.522 257.710 1.00 0.00 C +ATOM 36 CA ASP A 36 256.987 235.415 256.167 1.00 0.00 C +ATOM 37 CA ASP A 37 254.807 235.573 253.046 1.00 0.00 C +ATOM 38 CA GLU A 38 255.171 237.649 249.872 1.00 0.00 C +ATOM 39 CA GLU A 39 258.494 238.652 248.302 1.00 0.00 C +ATOM 40 CA ARG A 40 261.724 238.413 250.309 1.00 0.00 C +ATOM 41 CA ARG A 41 263.956 235.498 249.292 1.00 0.00 C +ATOM 42 CA MET A 42 266.202 233.802 246.724 1.00 0.00 C +ATOM 43 CA PRO A 43 269.034 234.645 244.318 1.00 0.00 C +ATOM 44 CA GLY A 44 267.966 237.837 242.532 1.00 0.00 C +ATOM 45 CA GLY A 45 269.297 241.406 242.590 1.00 0.00 C +ATOM 46 CA GLU A 46 270.890 243.254 245.517 1.00 0.00 C +ATOM 47 CA PRO A 47 274.327 241.881 246.419 1.00 0.00 C +ATOM 48 CA GLY A 48 276.991 243.975 248.161 1.00 0.00 C +ATOM 49 CA LYS A 49 278.185 244.292 251.765 1.00 0.00 C +ATOM 50 CA THR A 50 275.960 245.540 254.595 1.00 0.00 C +ATOM 51 CA PRO A 51 274.425 248.769 255.911 1.00 0.00 C +ATOM 52 CA GLY A 52 272.596 252.069 255.385 1.00 0.00 C +ATOM 53 CA SER A 53 269.507 254.286 255.629 1.00 0.00 C +ATOM 54 CA ALA A 54 268.525 254.602 259.297 1.00 0.00 C +ATOM 55 CA GLU A 55 269.613 253.604 262.809 1.00 0.00 C +ATOM 56 CA GLY A 56 272.320 255.000 265.097 1.00 0.00 C +ATOM 57 CA GLU A 57 271.438 255.120 268.802 1.00 0.00 C +ATOM 58 CA ASP A 58 268.298 253.180 269.746 1.00 0.00 C +ATOM 59 CA LEU A 59 266.351 250.249 268.284 1.00 0.00 C +ATOM 60 CA PRO A 60 263.807 249.233 265.636 1.00 0.00 C +ATOM 61 CA ARG A 61 260.851 249.750 263.289 1.00 0.00 C +ATOM 62 CA ARG A 62 257.122 249.061 263.666 1.00 0.00 C +ATOM 63 CA PRO A 63 255.009 248.997 260.497 1.00 0.00 C +ATOM 64 CA ALA A 64 255.532 248.512 256.754 1.00 0.00 C +ATOM 65 CA PRO A 65 253.544 249.461 253.646 1.00 0.00 C +ATOM 66 CA PRO A 66 249.851 249.182 252.748 1.00 0.00 C +ATOM 67 CA PRO A 67 248.032 247.797 255.796 1.00 0.00 C +ATOM 68 CA TYR A 68 249.063 248.768 259.333 1.00 0.00 C +TER 69 TYR A 68 +END diff --git a/Bacteria/Q091F2/Q091F2.dcd b/Bacteria/Q091F2/Q091F2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e955cd119676e0848966fff9809f946af9484f25 --- /dev/null +++ b/Bacteria/Q091F2/Q091F2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:35939dd28fa77f6613262427f4c42ff600006bfbfdabc21f31760d01be21cc8e +size 5240276 diff --git a/Bacteria/Q091F2/top.pdb b/Bacteria/Q091F2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..53f94df8ada16cfa0232a8f308a016b62275b842 --- /dev/null +++ b/Bacteria/Q091F2/top.pdb @@ -0,0 +1,41 @@ +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 1 257.179 232.711 229.230 1.00 0.00 C +ATOM 2 CA PRO A 2 254.401 232.556 231.834 1.00 0.00 C +ATOM 3 CA MET A 3 254.457 233.244 235.581 1.00 0.00 C +ATOM 4 CA ASN A 4 255.139 235.741 238.376 1.00 0.00 C +ATOM 5 CA VAL A 5 255.632 235.190 242.113 1.00 0.00 C +ATOM 6 CA GLU A 6 253.798 236.691 245.096 1.00 0.00 C +ATOM 7 CA ALA A 7 253.418 240.184 246.570 1.00 0.00 C +ATOM 8 CA PRO A 8 252.392 243.846 246.786 1.00 0.00 C +ATOM 9 CA GLY A 9 248.827 243.966 248.125 1.00 0.00 C +ATOM 10 CA ASN A 10 245.829 244.428 250.431 1.00 0.00 C +ATOM 11 CA ALA A 11 245.263 248.169 250.873 1.00 0.00 C +ATOM 12 CA ALA A 12 242.779 250.882 249.877 1.00 0.00 C +ATOM 13 CA PRO A 13 239.114 249.843 249.907 1.00 0.00 C +ATOM 14 CA GLY A 14 238.140 246.697 251.823 1.00 0.00 C +ATOM 15 CA ASN A 15 237.265 246.234 255.502 1.00 0.00 C +ATOM 16 CA GLY A 16 235.882 248.145 258.494 1.00 0.00 C +ATOM 17 CA THR A 17 237.790 248.254 261.790 1.00 0.00 C +ATOM 18 CA GLY A 18 241.507 249.051 262.039 1.00 0.00 C +ATOM 19 CA ALA A 19 244.124 249.855 264.689 1.00 0.00 C +ATOM 20 CA GLY A 20 247.580 248.327 264.201 1.00 0.00 C +ATOM 21 CA ALA A 21 250.746 250.109 265.351 1.00 0.00 C +ATOM 22 CA GLY A 22 251.661 253.599 266.574 1.00 0.00 C +ATOM 23 CA THR A 23 253.945 256.645 266.729 1.00 0.00 C +ATOM 24 CA ASP A 24 256.365 257.626 263.955 1.00 0.00 C +ATOM 25 CA GLN A 25 259.339 259.630 262.668 1.00 0.00 C +ATOM 26 CA GLY A 26 260.203 259.702 258.958 1.00 0.00 C +ATOM 27 CA THR A 27 257.390 260.705 256.593 1.00 0.00 C +ATOM 28 CA ASP A 28 254.840 262.813 254.704 1.00 0.00 C +ATOM 29 CA THR A 29 253.978 264.242 251.279 1.00 0.00 C +ATOM 30 CA GLY A 30 251.839 264.930 248.202 1.00 0.00 C +ATOM 31 CA ALA A 31 252.085 264.013 244.512 1.00 0.00 C +ATOM 32 CA GLY A 32 252.742 262.230 241.210 1.00 0.00 C +ATOM 33 CA ALA A 33 253.976 259.166 239.310 1.00 0.00 C +ATOM 34 CA GLY A 34 253.280 255.421 239.275 1.00 0.00 C +ATOM 35 CA ALA A 35 250.857 254.368 236.529 1.00 0.00 C +ATOM 36 CA VAL A 36 248.955 251.809 234.444 1.00 0.00 C +ATOM 37 CA GLY A 37 247.285 248.979 236.371 1.00 0.00 C +TER 38 GLY A 37 +END diff --git a/Bacteria/Q092F1/Q092F1.dcd b/Bacteria/Q092F1/Q092F1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..bcf6e91439e8ae9edb94af2d6f0ba10a53ecc3ca --- /dev/null +++ b/Bacteria/Q092F1/Q092F1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ed0fb9cb0a4fbaf959133d330625c46f5c75edfa34c949ecfb0b121f503cfa28 +size 6440276 diff --git a/Bacteria/Q092F1/top.pdb b/Bacteria/Q092F1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..bb4b8cb88137f06c8b1763e25a6fceb6d09c1252 --- /dev/null +++ b/Bacteria/Q092F1/top.pdb @@ -0,0 +1,51 @@ +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 1 232.023 231.114 256.593 1.00 0.00 C +ATOM 2 CA SER A 2 232.877 231.887 252.961 1.00 0.00 C +ATOM 3 CA SER A 3 235.232 234.071 250.912 1.00 0.00 C +ATOM 4 CA GLY A 4 237.799 236.808 251.572 1.00 0.00 C +ATOM 5 CA GLY A 5 241.419 237.835 250.971 1.00 0.00 C +ATOM 6 CA GLY A 6 244.254 235.523 249.908 1.00 0.00 C +ATOM 7 CA ALA A 7 245.445 232.089 251.053 1.00 0.00 C +ATOM 8 CA ALA A 8 248.822 230.347 250.765 1.00 0.00 C +ATOM 9 CA LYS A 9 251.597 228.878 248.609 1.00 0.00 C +ATOM 10 CA TRP A 10 254.701 230.720 247.388 1.00 0.00 C +ATOM 11 CA ALA A 11 254.695 234.464 246.682 1.00 0.00 C +ATOM 12 CA TRP A 12 252.648 237.663 246.993 1.00 0.00 C +ATOM 13 CA PRO A 13 251.875 238.911 243.478 1.00 0.00 C +ATOM 14 CA TRP A 14 250.875 237.234 240.206 1.00 0.00 C +ATOM 15 CA LYS A 15 248.768 238.726 237.405 1.00 0.00 C +ATOM 16 CA ASP A 16 251.066 240.318 234.817 1.00 0.00 C +ATOM 17 CA SER A 17 254.532 241.414 233.676 1.00 0.00 C +ATOM 18 CA ALA A 18 256.746 243.113 236.270 1.00 0.00 C +ATOM 19 CA ALA A 19 255.371 245.072 239.234 1.00 0.00 C +ATOM 20 CA SER A 20 251.665 244.446 239.861 1.00 0.00 C +ATOM 21 CA ASP A 21 249.681 247.538 240.870 1.00 0.00 C +ATOM 22 CA MET A 22 245.934 248.028 240.387 1.00 0.00 C +ATOM 23 CA GLY A 23 244.320 250.723 242.544 1.00 0.00 C +ATOM 24 CA SER A 24 241.873 253.423 243.657 1.00 0.00 C +ATOM 25 CA SER A 25 238.269 252.889 244.771 1.00 0.00 C +ATOM 26 CA LYS A 26 235.649 255.567 245.464 1.00 0.00 C +ATOM 27 CA ASP A 27 236.327 258.152 248.179 1.00 0.00 C +ATOM 28 CA GLU A 28 238.967 258.229 250.925 1.00 0.00 C +ATOM 29 CA GLU A 29 239.226 261.723 252.423 1.00 0.00 C +ATOM 30 CA GLY A 30 241.008 262.628 255.666 1.00 0.00 C +ATOM 31 CA PRO A 31 242.971 260.774 258.355 1.00 0.00 C +ATOM 32 CA ASN A 32 245.177 262.297 261.062 1.00 0.00 C +ATOM 33 CA LEU A 33 248.062 264.784 260.967 1.00 0.00 C +ATOM 34 CA ARG A 34 251.624 264.976 259.627 1.00 0.00 C +ATOM 35 CA GLY A 35 253.778 266.983 257.208 1.00 0.00 C +ATOM 36 CA ARG A 36 252.457 270.557 257.255 1.00 0.00 C +ATOM 37 CA ARG A 37 251.680 271.439 253.631 1.00 0.00 C +ATOM 38 CA GLU A 38 253.658 269.045 251.423 1.00 0.00 C +ATOM 39 CA LEU A 39 256.322 266.337 251.710 1.00 0.00 C +ATOM 40 CA VAL A 40 258.065 262.978 252.157 1.00 0.00 C +ATOM 41 CA ASN A 41 260.004 263.156 255.432 1.00 0.00 C +ATOM 42 CA ALA A 42 260.976 259.773 256.892 1.00 0.00 C +ATOM 43 CA GLU A 43 264.474 258.315 257.281 1.00 0.00 C +ATOM 44 CA PRO A 44 267.122 258.199 260.018 1.00 0.00 C +ATOM 45 CA ALA A 45 270.173 255.920 259.919 1.00 0.00 C +ATOM 46 CA PRO A 46 273.938 256.120 260.465 1.00 0.00 C +ATOM 47 CA GLY A 47 275.858 258.813 262.358 1.00 0.00 C +TER 48 GLY A 47 +END diff --git a/Bacteria/Q093C1/Q093C1.dcd b/Bacteria/Q093C1/Q093C1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e1b5a2d2b45303a5b8f8280bec232c92680e6184 --- /dev/null +++ b/Bacteria/Q093C1/Q093C1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:55ebfd1af42c20f06bc5d61a6f0ce2cfbfab1d24fa17c73f1751adfb938bdfee +size 7520276 diff --git a/Bacteria/Q093C1/top.pdb b/Bacteria/Q093C1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9f11efa65c44591970cca83eecd1c1a7310cee66 --- /dev/null +++ b/Bacteria/Q093C1/top.pdb @@ -0,0 +1,60 @@ +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 1 231.417 260.134 223.541 1.00 0.00 C +ATOM 2 CA ALA A 2 230.391 258.703 226.919 1.00 0.00 C +ATOM 3 CA ALA A 3 229.016 258.225 230.440 1.00 0.00 C +ATOM 4 CA ASP A 4 228.220 260.962 232.968 1.00 0.00 C +ATOM 5 CA PRO A 5 229.468 260.520 236.541 1.00 0.00 C +ATOM 6 CA LYS A 6 231.113 262.441 239.390 1.00 0.00 C +ATOM 7 CA LYS A 7 234.485 262.159 241.142 1.00 0.00 C +ATOM 8 CA PRO A 8 237.454 259.869 240.467 1.00 0.00 C +ATOM 9 CA LYS A 9 239.386 258.723 243.545 1.00 0.00 C +ATOM 10 CA GLU A 10 241.338 255.821 245.058 1.00 0.00 C +ATOM 11 CA GLN A 11 244.696 255.882 246.857 1.00 0.00 C +ATOM 12 CA LYS A 12 244.019 255.504 250.587 1.00 0.00 C +ATOM 13 CA GLN A 13 245.384 253.035 253.148 1.00 0.00 C +ATOM 14 CA PRO A 14 246.373 255.208 256.117 1.00 0.00 C +ATOM 15 CA ARG A 15 249.938 256.368 256.797 1.00 0.00 C +ATOM 16 CA GLN A 16 251.983 256.288 253.584 1.00 0.00 C +ATOM 17 CA ALA A 17 255.723 256.750 254.146 1.00 0.00 C +ATOM 18 CA GLY A 18 258.664 255.732 256.345 1.00 0.00 C +ATOM 19 CA GLY A 19 258.556 256.928 259.961 1.00 0.00 C +ATOM 20 CA GLN A 20 258.509 260.078 262.103 1.00 0.00 C +ATOM 21 CA GLU A 21 258.533 263.541 260.514 1.00 0.00 C +ATOM 22 CA ALA A 22 259.011 266.043 263.347 1.00 0.00 C +ATOM 23 CA PRO A 23 256.421 268.063 265.277 1.00 0.00 C +ATOM 24 CA GLN A 24 258.189 269.526 268.318 1.00 0.00 C +ATOM 25 CA LYS A 25 258.767 267.073 271.176 1.00 0.00 C +ATOM 26 CA LYS A 26 258.946 265.191 274.484 1.00 0.00 C +ATOM 27 CA ALA A 27 255.942 263.777 276.353 1.00 0.00 C +ATOM 28 CA ASP A 28 256.447 260.018 276.720 1.00 0.00 C +ATOM 29 CA ASN A 29 257.301 258.629 273.276 1.00 0.00 C +ATOM 30 CA ALA A 30 260.949 258.039 272.348 1.00 0.00 C +ATOM 31 CA ASP A 31 262.962 258.956 269.246 1.00 0.00 C +ATOM 32 CA GLN A 32 266.048 256.728 269.413 1.00 0.00 C +ATOM 33 CA ALA A 33 265.776 253.213 267.968 1.00 0.00 C +ATOM 34 CA LYS A 34 263.658 250.419 266.476 1.00 0.00 C +ATOM 35 CA ASP A 35 261.557 251.013 263.353 1.00 0.00 C +ATOM 36 CA GLY A 36 259.866 249.657 260.220 1.00 0.00 C +ATOM 37 CA MET A 37 257.519 249.130 257.265 1.00 0.00 C +ATOM 38 CA PRO A 38 256.709 246.776 254.381 1.00 0.00 C +ATOM 39 CA GLY A 39 255.457 246.427 250.800 1.00 0.00 C +ATOM 40 CA TYR A 40 252.394 244.942 249.087 1.00 0.00 C +ATOM 41 CA GLY A 41 250.861 241.924 250.836 1.00 0.00 C +ATOM 42 CA GLN A 42 250.884 238.133 251.206 1.00 0.00 C +ATOM 43 CA PRO A 43 250.539 235.411 248.562 1.00 0.00 C +ATOM 44 CA PRO A 44 247.010 235.693 247.155 1.00 0.00 C +ATOM 45 CA GLU A 45 244.873 234.548 244.216 1.00 0.00 C +ATOM 46 CA GLU A 46 244.123 231.515 242.035 1.00 0.00 C +ATOM 47 CA VAL A 47 244.191 228.509 239.696 1.00 0.00 C +ATOM 48 CA ARG A 48 244.676 224.962 238.389 1.00 0.00 C +ATOM 49 CA LYS A 49 246.505 222.162 236.566 1.00 0.00 C +ATOM 50 CA PRO A 50 248.803 221.690 233.563 1.00 0.00 C +ATOM 51 CA LEU A 51 249.360 223.641 230.338 1.00 0.00 C +ATOM 52 CA PRO A 52 249.642 227.175 228.942 1.00 0.00 C +ATOM 53 CA ASP A 53 248.285 228.145 225.517 1.00 0.00 C +ATOM 54 CA GLN A 54 249.145 231.596 224.151 1.00 0.00 C +ATOM 55 CA ASP A 55 250.793 233.125 221.075 1.00 0.00 C +ATOM 56 CA TRP A 56 251.723 235.279 218.073 1.00 0.00 C +TER 57 TRP A 56 +END diff --git a/Bacteria/Q093N0/Q093N0.dcd b/Bacteria/Q093N0/Q093N0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d312ed9c3a2c7f7d71d810f7c000cac6c784323d --- /dev/null +++ b/Bacteria/Q093N0/Q093N0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:db5cb97263c2cec2a0e3e4b25240fa654e0d97cec2f0207ac1ef0022cb07ac4b +size 7400276 diff --git a/Bacteria/Q093N0/top.pdb b/Bacteria/Q093N0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..106eb7e0917da0e346a1af815c7a6d384ce9965c --- /dev/null +++ b/Bacteria/Q093N0/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 1 253.578 265.765 245.386 1.00 0.00 C +ATOM 2 CA LEU A 2 250.638 263.345 245.518 1.00 0.00 C +ATOM 3 CA ALA A 3 249.348 259.773 245.820 1.00 0.00 C +ATOM 4 CA PRO A 4 247.913 257.028 248.039 1.00 0.00 C +ATOM 5 CA ALA A 5 247.553 253.741 246.147 1.00 0.00 C +ATOM 6 CA ARG A 6 248.272 251.087 243.509 1.00 0.00 C +ATOM 7 CA VAL A 7 251.416 251.574 241.413 1.00 0.00 C +ATOM 8 CA SER A 8 253.028 255.025 241.504 1.00 0.00 C +ATOM 9 CA VAL A 9 254.451 256.795 238.445 1.00 0.00 C +ATOM 10 CA VAL A 10 257.793 257.955 237.029 1.00 0.00 C +ATOM 11 CA THR A 11 258.569 259.738 233.753 1.00 0.00 C +ATOM 12 CA LEU A 12 255.353 260.088 231.740 1.00 0.00 C +ATOM 13 CA THR A 13 252.543 257.775 230.613 1.00 0.00 C +ATOM 14 CA ALA A 14 252.195 254.801 232.969 1.00 0.00 C +ATOM 15 CA GLU A 15 251.262 251.367 231.608 1.00 0.00 C +ATOM 16 CA HIS A 16 252.965 248.138 230.520 1.00 0.00 C +ATOM 17 CA SER A 17 253.950 245.968 233.492 1.00 0.00 C +ATOM 18 CA SER A 18 255.421 242.734 234.870 1.00 0.00 C +ATOM 19 CA ASP A 19 252.852 239.922 234.960 1.00 0.00 C +ATOM 20 CA SER A 20 250.816 237.451 237.025 1.00 0.00 C +ATOM 21 CA TRP A 21 250.373 233.724 236.370 1.00 0.00 C +ATOM 22 CA THR A 22 252.632 231.892 238.830 1.00 0.00 C +ATOM 23 CA PRO A 23 254.720 231.864 242.017 1.00 0.00 C +ATOM 24 CA ARG A 24 257.126 234.818 241.981 1.00 0.00 C +ATOM 25 CA ALA A 25 258.226 235.554 245.554 1.00 0.00 C +ATOM 26 CA GLY A 26 255.461 235.836 248.161 1.00 0.00 C +ATOM 27 CA GLU A 27 252.069 236.778 249.617 1.00 0.00 C +ATOM 28 CA GLU A 28 249.316 236.046 247.088 1.00 0.00 C +ATOM 29 CA GLY A 29 245.696 235.092 246.379 1.00 0.00 C +ATOM 30 CA LEU A 30 243.835 237.928 244.644 1.00 0.00 C +ATOM 31 CA GLY A 31 242.633 241.089 246.398 1.00 0.00 C +ATOM 32 CA GLY A 32 239.955 243.604 245.389 1.00 0.00 C +ATOM 33 CA ASP A 33 236.874 244.576 247.409 1.00 0.00 C +ATOM 34 CA SER A 34 237.264 247.398 249.939 1.00 0.00 C +ATOM 35 CA SER A 35 236.986 247.503 253.737 1.00 0.00 C +ATOM 36 CA VAL A 36 240.021 246.720 255.904 1.00 0.00 C +ATOM 37 CA PRO A 37 239.904 246.557 259.709 1.00 0.00 C +ATOM 38 CA PRO A 38 241.626 248.330 262.608 1.00 0.00 C +ATOM 39 CA GLN A 39 242.217 247.566 266.294 1.00 0.00 C +ATOM 40 CA ALA A 40 241.925 247.944 270.074 1.00 0.00 C +ATOM 41 CA ILE A 41 241.789 249.969 273.299 1.00 0.00 C +ATOM 42 CA PRO A 42 241.627 253.679 272.447 1.00 0.00 C +ATOM 43 CA ARG A 43 243.215 256.972 271.377 1.00 0.00 C +ATOM 44 CA ASN A 44 246.474 258.623 270.296 1.00 0.00 C +ATOM 45 CA PRO A 45 249.921 259.316 268.828 1.00 0.00 C +ATOM 46 CA ALA A 46 253.369 260.647 269.755 1.00 0.00 C +ATOM 47 CA ASN A 47 256.678 262.494 270.146 1.00 0.00 C +ATOM 48 CA LYS A 48 257.375 264.249 266.837 1.00 0.00 C +ATOM 49 CA GLY A 49 254.450 264.586 264.418 1.00 0.00 C +ATOM 50 CA LEU A 50 255.451 262.593 261.329 1.00 0.00 C +ATOM 51 CA SER A 51 254.512 260.889 258.053 1.00 0.00 C +ATOM 52 CA LYS A 52 256.030 257.735 256.549 1.00 0.00 C +ATOM 53 CA ASP A 53 256.079 255.162 259.358 1.00 0.00 C +ATOM 54 CA PHE A 54 257.599 251.980 260.801 1.00 0.00 C +ATOM 55 CA SER A 55 256.653 250.217 264.043 1.00 0.00 C +TER 56 SER A 55 +END diff --git a/Bacteria/Q094J7/Q094J7.dcd b/Bacteria/Q094J7/Q094J7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..961e595d4a7d4832a93093ba4a320384d7426488 --- /dev/null +++ b/Bacteria/Q094J7/Q094J7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a4fb5a9bdba4b3eb5ddfb02cc23a40f98a9b31794c4457ad0477bb17c266f821 +size 9080276 diff --git a/Bacteria/Q094J7/top.pdb b/Bacteria/Q094J7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ecd92ac90a13e060824ffa82b678413e07df170a --- /dev/null +++ b/Bacteria/Q094J7/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 MET A 1 237.734 261.565 281.307 1.00 0.00 C +ATOM 2 CA LEU A 2 238.168 265.223 280.333 1.00 0.00 C +ATOM 3 CA ARG A 3 238.240 268.903 279.348 1.00 0.00 C +ATOM 4 CA SER A 4 238.400 272.345 277.723 1.00 0.00 C +ATOM 5 CA THR A 5 236.409 274.607 280.054 1.00 0.00 C +ATOM 6 CA HIS A 6 238.507 277.082 282.051 1.00 0.00 C +ATOM 7 CA ALA A 7 240.171 280.055 283.758 1.00 0.00 C +ATOM 8 CA GLU A 8 243.474 280.798 285.504 1.00 0.00 C +ATOM 9 CA ASN A 9 246.140 283.060 287.020 1.00 0.00 C +ATOM 10 CA ARG A 10 249.281 284.414 285.342 1.00 0.00 C +ATOM 11 CA GLU A 11 252.316 282.138 284.984 1.00 0.00 C +ATOM 12 CA LYS A 12 255.384 280.336 286.346 1.00 0.00 C +ATOM 13 CA SER A 13 256.968 277.235 287.893 1.00 0.00 C +ATOM 14 CA PHE A 14 258.335 273.704 287.471 1.00 0.00 C +ATOM 15 CA TRP A 15 261.542 271.888 288.438 1.00 0.00 C +ATOM 16 CA ALA A 16 261.880 268.255 289.535 1.00 0.00 C +ATOM 17 CA TRP A 17 263.440 265.686 287.194 1.00 0.00 C +ATOM 18 CA GLU A 18 264.925 262.178 287.222 1.00 0.00 C +ATOM 19 CA GLY A 19 266.395 259.101 288.921 1.00 0.00 C +ATOM 20 CA ASP A 20 267.315 255.473 289.634 1.00 0.00 C +ATOM 21 CA ALA A 21 265.260 252.271 289.434 1.00 0.00 C +ATOM 22 CA PRO A 22 261.582 251.746 288.593 1.00 0.00 C +ATOM 23 CA ALA A 23 260.027 248.269 288.687 1.00 0.00 C +ATOM 24 CA PRO A 24 261.630 245.639 286.446 1.00 0.00 C +ATOM 25 CA LEU A 25 264.002 246.835 283.715 1.00 0.00 C +ATOM 26 CA PRO A 26 263.301 248.598 280.411 1.00 0.00 C +ATOM 27 CA PHE A 27 262.132 249.997 277.065 1.00 0.00 C +ATOM 28 CA ALA A 28 261.246 249.077 273.476 1.00 0.00 C +ATOM 29 CA ARG A 29 259.642 249.196 270.022 1.00 0.00 C +ATOM 30 CA ALA A 30 256.676 246.941 269.225 1.00 0.00 C +ATOM 31 CA SER A 31 254.529 243.863 268.568 1.00 0.00 C +ATOM 32 CA PRO A 32 250.764 243.296 268.701 1.00 0.00 C +ATOM 33 CA ASP A 33 249.590 243.207 265.077 1.00 0.00 C +ATOM 34 CA ALA A 34 249.708 243.446 261.277 1.00 0.00 C +ATOM 35 CA ALA A 35 253.028 244.495 259.730 1.00 0.00 C +ATOM 36 CA ASP A 36 252.802 244.945 255.954 1.00 0.00 C +ATOM 37 CA VAL A 37 250.768 242.624 253.720 1.00 0.00 C +ATOM 38 CA ALA A 38 251.338 243.246 250.005 1.00 0.00 C +ATOM 39 CA GLY A 39 252.596 244.458 246.619 1.00 0.00 C +ATOM 40 CA GLY A 40 254.034 242.934 243.437 1.00 0.00 C +ATOM 41 CA GLY A 41 254.539 239.205 244.028 1.00 0.00 C +ATOM 42 CA GLU A 42 254.865 236.998 240.939 1.00 0.00 C +ATOM 43 CA ALA A 43 255.326 236.104 237.265 1.00 0.00 C +ATOM 44 CA ALA A 44 253.870 234.523 234.118 1.00 0.00 C +ATOM 45 CA GLU A 45 251.075 235.107 231.595 1.00 0.00 C +ATOM 46 CA PRO A 46 251.312 235.200 227.794 1.00 0.00 C +ATOM 47 CA HIS A 47 248.997 236.530 225.076 1.00 0.00 C +ATOM 48 CA ARG A 48 246.667 238.660 222.944 1.00 0.00 C +ATOM 49 CA ALA A 49 244.051 239.146 220.216 1.00 0.00 C +ATOM 50 CA TRP A 50 242.768 240.964 217.124 1.00 0.00 C +ATOM 51 CA SER A 51 244.370 239.767 213.881 1.00 0.00 C +ATOM 52 CA GLN A 52 245.084 237.704 210.759 1.00 0.00 C +ATOM 53 CA ALA A 53 243.026 235.077 208.919 1.00 0.00 C +ATOM 54 CA ARG A 54 239.819 235.534 206.915 1.00 0.00 C +ATOM 55 CA HIS A 55 236.327 234.453 207.990 1.00 0.00 C +ATOM 56 CA ARG A 56 232.676 234.983 207.038 1.00 0.00 C +ATOM 57 CA VAL A 57 232.503 235.384 203.253 1.00 0.00 C +ATOM 58 CA HIS A 58 233.299 237.569 200.235 1.00 0.00 C +ATOM 59 CA GLN A 59 235.185 240.744 199.299 1.00 0.00 C +ATOM 60 CA GLU A 60 237.623 242.827 201.357 1.00 0.00 C +ATOM 61 CA ALA A 61 241.411 242.538 201.633 1.00 0.00 C +ATOM 62 CA GLY A 62 244.606 241.690 199.737 1.00 0.00 C +ATOM 63 CA ALA A 63 247.911 243.116 200.987 1.00 0.00 C +ATOM 64 CA LEU A 64 248.837 241.442 204.282 1.00 0.00 C +ATOM 65 CA PRO A 65 249.939 237.811 204.626 1.00 0.00 C +ATOM 66 CA PRO A 66 248.299 235.046 202.582 1.00 0.00 C +ATOM 67 CA GLY A 67 248.452 232.440 199.807 1.00 0.00 C +ATOM 68 CA THR A 68 245.190 231.265 198.227 1.00 0.00 C +ATOM 69 CA ASP A 69 242.297 229.038 197.138 1.00 0.00 C +TER 70 ASP A 69 +END diff --git a/Bacteria/Q094P9/Q094P9.dcd b/Bacteria/Q094P9/Q094P9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..ff46904efd58106769004df088085b836ee64e3b --- /dev/null +++ b/Bacteria/Q094P9/Q094P9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6871cf6971f3a2cacca7a5037acc1bebf19b98fc379ef4956697fd331a5044e8 +size 5000276 diff --git a/Bacteria/Q094P9/top.pdb b/Bacteria/Q094P9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..19e1898f87a0a2e932d0d5bd944c8c8c4dc5e97a --- /dev/null +++ b/Bacteria/Q094P9/top.pdb @@ -0,0 +1,39 @@ +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 1 232.618 250.999 249.789 1.00 0.00 C +ATOM 2 CA PHE A 2 235.904 252.708 250.683 1.00 0.00 C +ATOM 3 CA SER A 3 235.611 255.009 253.705 1.00 0.00 C +ATOM 4 CA MET A 4 236.968 254.642 257.247 1.00 0.00 C +ATOM 5 CA LEU A 5 240.483 256.097 257.049 1.00 0.00 C +ATOM 6 CA LYS A 6 242.955 257.378 254.448 1.00 0.00 C +ATOM 7 CA PRO A 7 245.690 258.974 252.329 1.00 0.00 C +ATOM 8 CA ALA A 8 246.531 262.650 251.783 1.00 0.00 C +ATOM 9 CA HIS A 9 246.858 264.247 255.227 1.00 0.00 C +ATOM 10 CA TRP A 10 247.410 264.997 258.921 1.00 0.00 C +ATOM 11 CA MET A 11 249.868 264.269 261.740 1.00 0.00 C +ATOM 12 CA GLU A 12 251.809 260.994 261.893 1.00 0.00 C +ATOM 13 CA SER A 13 250.681 257.496 260.887 1.00 0.00 C +ATOM 14 CA PRO A 14 250.582 254.319 258.788 1.00 0.00 C +ATOM 15 CA THR A 15 250.650 253.114 255.174 1.00 0.00 C +ATOM 16 CA LEU A 16 248.765 250.625 252.990 1.00 0.00 C +ATOM 17 CA ALA A 17 247.874 246.958 253.517 1.00 0.00 C +ATOM 18 CA GLN A 18 246.902 243.362 254.315 1.00 0.00 C +ATOM 19 CA ALA A 19 249.991 241.148 254.583 1.00 0.00 C +ATOM 20 CA GLN A 20 253.651 241.489 253.581 1.00 0.00 C +ATOM 21 CA GLY A 21 257.192 242.083 252.305 1.00 0.00 C +ATOM 22 CA PRO A 22 260.702 243.156 251.284 1.00 0.00 C +ATOM 23 CA GLY A 23 260.889 243.071 247.480 1.00 0.00 C +ATOM 24 CA ARG A 24 262.185 244.446 244.171 1.00 0.00 C +ATOM 25 CA VAL A 25 261.115 244.591 240.518 1.00 0.00 C +ATOM 26 CA THR A 26 258.948 247.640 239.794 1.00 0.00 C +ATOM 27 CA ILE A 27 256.325 250.403 239.738 1.00 0.00 C +ATOM 28 CA GLN A 28 252.669 251.104 238.925 1.00 0.00 C +ATOM 29 CA GLU A 29 250.353 248.987 236.764 1.00 0.00 C +ATOM 30 CA ARG A 30 251.379 245.340 236.358 1.00 0.00 C +ATOM 31 CA THR A 31 254.059 242.718 237.031 1.00 0.00 C +ATOM 32 CA ARG A 32 253.335 239.815 239.391 1.00 0.00 C +ATOM 33 CA SER A 33 253.507 240.434 243.146 1.00 0.00 C +ATOM 34 CA ALA A 34 253.411 239.088 246.709 1.00 0.00 C +ATOM 35 CA SER A 35 252.129 235.651 247.738 1.00 0.00 C +TER 36 SER A 35 +END diff --git a/Bacteria/Q094V6/Q094V6.dcd b/Bacteria/Q094V6/Q094V6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..3dadbd0c5185150279f0a09ef5e3d2718ed167d8 --- /dev/null +++ b/Bacteria/Q094V6/Q094V6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:748e4f13f5475d40083b218f93f7664d831fcf45c376555064e5867c40964775 +size 5960276 diff --git a/Bacteria/Q094V6/top.pdb b/Bacteria/Q094V6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..bc33a015c596fa0d482c9182f301e1b36af363a5 --- /dev/null +++ b/Bacteria/Q094V6/top.pdb @@ -0,0 +1,47 @@ +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 1 231.525 263.568 242.102 1.00 0.00 C +ATOM 2 CA SER A 2 234.382 263.135 239.618 1.00 0.00 C +ATOM 3 CA ALA A 3 237.460 264.644 237.954 1.00 0.00 C +ATOM 4 CA SER A 4 241.224 264.709 237.367 1.00 0.00 C +ATOM 5 CA SER A 5 242.859 262.107 239.619 1.00 0.00 C +ATOM 6 CA THR A 6 245.769 260.080 241.012 1.00 0.00 C +ATOM 7 CA SER A 7 247.253 258.281 237.999 1.00 0.00 C +ATOM 8 CA PRO A 8 248.312 254.668 238.579 1.00 0.00 C +ATOM 9 CA SER A 9 248.948 254.324 242.320 1.00 0.00 C +ATOM 10 CA PRO A 10 246.017 252.700 244.134 1.00 0.00 C +ATOM 11 CA PRO A 11 245.298 250.490 247.153 1.00 0.00 C +ATOM 12 CA GLU A 12 245.342 246.740 247.823 1.00 0.00 C +ATOM 13 CA LYS A 13 247.717 245.288 250.424 1.00 0.00 C +ATOM 14 CA ASP A 14 249.336 246.040 253.790 1.00 0.00 C +ATOM 15 CA VAL A 15 252.955 244.852 253.878 1.00 0.00 C +ATOM 16 CA ARG A 16 255.092 246.554 256.533 1.00 0.00 C +ATOM 17 CA GLY A 17 255.186 247.427 260.240 1.00 0.00 C +ATOM 18 CA PHE A 18 252.265 245.675 261.948 1.00 0.00 C +ATOM 19 CA GLY A 19 250.084 243.941 264.546 1.00 0.00 C +ATOM 20 CA ARG A 20 246.565 242.715 263.754 1.00 0.00 C +ATOM 21 CA GLU A 21 244.656 239.557 262.805 1.00 0.00 C +ATOM 22 CA PRO A 22 241.520 240.358 260.795 1.00 0.00 C +ATOM 23 CA SER A 23 239.757 239.400 257.556 1.00 0.00 C +ATOM 24 CA CYS A 24 240.175 241.934 254.742 1.00 0.00 C +ATOM 25 CA HIS A 25 241.935 245.303 254.479 1.00 0.00 C +ATOM 26 CA PRO A 26 239.168 247.904 254.167 1.00 0.00 C +ATOM 27 CA SER A 27 239.265 251.096 256.245 1.00 0.00 C +ATOM 28 CA SER A 28 242.198 253.324 257.220 1.00 0.00 C +ATOM 29 CA GLU A 29 245.813 252.269 256.643 1.00 0.00 C +ATOM 30 CA ALA A 30 249.188 250.944 257.814 1.00 0.00 C +ATOM 31 CA SER A 31 252.053 252.475 255.822 1.00 0.00 C +ATOM 32 CA PRO A 32 253.319 251.390 252.396 1.00 0.00 C +ATOM 33 CA PRO A 33 256.127 249.630 250.517 1.00 0.00 C +ATOM 34 CA PRO A 34 258.507 246.673 250.853 1.00 0.00 C +ATOM 35 CA LEU A 35 261.719 245.252 249.378 1.00 0.00 C +ATOM 36 CA VAL A 36 262.861 244.385 245.848 1.00 0.00 C +ATOM 37 CA GLY A 37 261.285 247.043 243.619 1.00 0.00 C +ATOM 38 CA ASN A 38 260.327 250.461 245.001 1.00 0.00 C +ATOM 39 CA ASP A 39 262.888 252.975 243.721 1.00 0.00 C +ATOM 40 CA SER A 40 266.601 252.361 244.313 1.00 0.00 C +ATOM 41 CA LEU A 41 267.909 248.848 243.631 1.00 0.00 C +ATOM 42 CA SER A 42 269.286 246.121 245.906 1.00 0.00 C +ATOM 43 CA ARG A 43 269.856 242.357 245.737 1.00 0.00 C +TER 44 ARG A 43 +END diff --git a/Bacteria/Q095L4/Q095L4.dcd b/Bacteria/Q095L4/Q095L4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e2177048292c6359706bfbd82f7dfecfb7e90081 --- /dev/null +++ b/Bacteria/Q095L4/Q095L4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9908d2a29869d90129ef00efaf2c735d31cc6f0b40bf0d81492c9d96a5c3339c +size 16880276 diff --git a/Bacteria/Q095L4/top.pdb b/Bacteria/Q095L4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..36b2be3ae2997046e78499ce4aef62e5e52f472c --- /dev/null +++ b/Bacteria/Q095L4/top.pdb @@ -0,0 +1,138 @@ +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 1 263.362 224.956 177.000 1.00 0.00 C +ATOM 2 CA ALA A 2 261.733 223.057 179.873 1.00 0.00 C +ATOM 3 CA LEU A 3 264.170 222.744 182.785 1.00 0.00 C +ATOM 4 CA GLU A 4 263.202 220.050 185.299 1.00 0.00 C +ATOM 5 CA LEU A 5 262.277 221.994 188.443 1.00 0.00 C +ATOM 6 CA ALA A 6 262.146 225.663 189.461 1.00 0.00 C +ATOM 7 CA LEU A 7 260.875 229.079 190.570 1.00 0.00 C +ATOM 8 CA GLU A 8 260.397 229.980 194.241 1.00 0.00 C +ATOM 9 CA GLY A 9 257.403 231.051 196.340 1.00 0.00 C +ATOM 10 CA ALA A 10 255.570 231.329 199.668 1.00 0.00 C +ATOM 11 CA VAL A 11 255.065 233.548 202.724 1.00 0.00 C +ATOM 12 CA GLN A 12 257.371 234.060 205.714 1.00 0.00 C +ATOM 13 CA ASN A 13 255.335 236.120 208.189 1.00 0.00 C +ATOM 14 CA GLU A 14 253.626 239.196 206.728 1.00 0.00 C +ATOM 15 CA ARG A 15 251.087 240.558 204.235 1.00 0.00 C +ATOM 16 CA PRO A 16 249.595 243.454 202.260 1.00 0.00 C +ATOM 17 CA LYS A 17 249.837 247.107 201.205 1.00 0.00 C +ATOM 18 CA GLY A 18 246.572 248.489 199.810 1.00 0.00 C +ATOM 19 CA ASP A 19 243.936 246.035 201.052 1.00 0.00 C +ATOM 20 CA GLU A 20 240.278 246.747 200.257 1.00 0.00 C +ATOM 21 CA GLY A 21 236.652 247.260 199.207 1.00 0.00 C +ATOM 22 CA CYS A 22 233.388 248.306 200.871 1.00 0.00 C +ATOM 23 CA ALA A 23 233.102 251.365 203.125 1.00 0.00 C +ATOM 24 CA GLU A 24 232.221 254.400 205.252 1.00 0.00 C +ATOM 25 CA ARG A 25 231.192 257.999 205.967 1.00 0.00 C +ATOM 26 CA ARG A 26 227.544 258.264 204.901 1.00 0.00 C +ATOM 27 CA GLU A 27 224.770 260.201 206.653 1.00 0.00 C +ATOM 28 CA ARG A 28 223.440 263.230 204.764 1.00 0.00 C +ATOM 29 CA ALA A 29 222.032 265.560 202.097 1.00 0.00 C +ATOM 30 CA ALA A 30 220.215 267.937 199.738 1.00 0.00 C +ATOM 31 CA LYS A 31 221.453 271.520 199.358 1.00 0.00 C +ATOM 32 CA GLY A 32 222.143 273.764 202.359 1.00 0.00 C +ATOM 33 CA PRO A 33 225.592 275.380 202.459 1.00 0.00 C +ATOM 34 CA VAL A 34 228.571 274.604 204.703 1.00 0.00 C +ATOM 35 CA VAL A 35 231.364 277.138 205.246 1.00 0.00 C +ATOM 36 CA LEU A 36 232.857 276.346 208.661 1.00 0.00 C +ATOM 37 CA GLY A 37 233.033 273.967 211.632 1.00 0.00 C +ATOM 38 CA GLY A 38 232.257 270.737 213.497 1.00 0.00 C +ATOM 39 CA HIS A 39 228.770 271.293 214.926 1.00 0.00 C +ATOM 40 CA ALA A 40 226.377 272.264 217.727 1.00 0.00 C +ATOM 41 CA GLU A 41 223.891 269.716 219.085 1.00 0.00 C +ATOM 42 CA GLN A 42 221.765 269.477 222.238 1.00 0.00 C +ATOM 43 CA ARG A 43 223.392 269.903 225.656 1.00 0.00 C +ATOM 44 CA GLY A 44 224.903 273.388 225.946 1.00 0.00 C +ATOM 45 CA ASP A 45 223.553 275.231 228.995 1.00 0.00 C +ATOM 46 CA GLU A 46 222.844 278.974 229.024 1.00 0.00 C +ATOM 47 CA GLN A 47 219.053 279.348 229.066 1.00 0.00 C +ATOM 48 CA GLU A 48 217.386 280.905 232.117 1.00 0.00 C +ATOM 49 CA LYS A 49 217.950 280.509 235.865 1.00 0.00 C +ATOM 50 CA GLU A 50 217.225 283.233 238.428 1.00 0.00 C +ATOM 51 CA GLN A 51 220.368 284.175 240.364 1.00 0.00 C +ATOM 52 CA PRO A 52 223.867 284.606 238.919 1.00 0.00 C +ATOM 53 CA VAL A 53 226.109 282.664 241.310 1.00 0.00 C +ATOM 54 CA GLU A 54 228.745 280.023 242.081 1.00 0.00 C +ATOM 55 CA ALA A 55 230.029 276.445 241.830 1.00 0.00 C +ATOM 56 CA ALA A 56 231.921 275.284 238.734 1.00 0.00 C +ATOM 57 CA HIS A 57 233.911 277.867 236.762 1.00 0.00 C +ATOM 58 CA HIS A 58 235.323 280.910 238.568 1.00 0.00 C +ATOM 59 CA ALA A 59 236.232 283.173 241.495 1.00 0.00 C +ATOM 60 CA ASP A 60 236.426 286.678 242.978 1.00 0.00 C +ATOM 61 CA GLY A 61 237.698 287.577 246.455 1.00 0.00 C +ATOM 62 CA GLU A 62 237.532 285.535 249.667 1.00 0.00 C +ATOM 63 CA GLY A 63 234.999 284.001 252.065 1.00 0.00 C +ATOM 64 CA PRO A 64 233.934 285.109 255.551 1.00 0.00 C +ATOM 65 CA PHE A 65 230.851 284.385 257.669 1.00 0.00 C +ATOM 66 CA GLN A 66 230.987 281.318 259.926 1.00 0.00 C +ATOM 67 CA GLU A 67 231.481 282.136 263.614 1.00 0.00 C +ATOM 68 CA VAL A 68 234.057 284.930 263.890 1.00 0.00 C +ATOM 69 CA LEU A 69 235.401 288.204 265.301 1.00 0.00 C +ATOM 70 CA GLU A 70 239.164 288.541 265.795 1.00 0.00 C +ATOM 71 CA ARG A 71 241.547 285.622 265.230 1.00 0.00 C +ATOM 72 CA HIS A 72 242.032 283.665 261.997 1.00 0.00 C +ATOM 73 CA ARG A 73 241.204 280.613 259.872 1.00 0.00 C +ATOM 74 CA ASP A 74 240.699 276.853 260.228 1.00 0.00 C +ATOM 75 CA GLU A 75 240.950 273.082 259.747 1.00 0.00 C +ATOM 76 CA GLU A 76 243.848 271.967 261.956 1.00 0.00 C +ATOM 77 CA LYS A 77 245.855 269.205 263.647 1.00 0.00 C +ATOM 78 CA GLY A 78 245.334 265.437 263.439 1.00 0.00 C +ATOM 79 CA GLN A 79 243.184 264.091 260.596 1.00 0.00 C +ATOM 80 CA GLU A 80 242.186 260.615 259.396 1.00 0.00 C +ATOM 81 CA GLY A 81 243.383 257.638 261.450 1.00 0.00 C +ATOM 82 CA GLN A 82 244.471 254.011 261.024 1.00 0.00 C +ATOM 83 CA PRO A 83 246.234 252.223 263.890 1.00 0.00 C +ATOM 84 CA PHE A 84 244.066 249.221 264.787 1.00 0.00 C +ATOM 85 CA GLN A 85 242.243 245.879 264.635 1.00 0.00 C +ATOM 86 CA GLU A 86 241.023 242.635 263.052 1.00 0.00 C +ATOM 87 CA PRO A 87 237.580 241.275 263.953 1.00 0.00 C +ATOM 88 CA ASP A 88 236.443 237.864 262.693 1.00 0.00 C +ATOM 89 CA GLU A 89 237.768 235.054 264.898 1.00 0.00 C +ATOM 90 CA ALA A 90 241.498 234.281 264.816 1.00 0.00 C +ATOM 91 CA GLU A 91 244.663 232.720 263.380 1.00 0.00 C +ATOM 92 CA ALA A 92 247.724 230.569 262.657 1.00 0.00 C +ATOM 93 CA ALA A 93 250.688 228.654 264.094 1.00 0.00 C +ATOM 94 CA GLU A 94 253.482 229.115 261.545 1.00 0.00 C +ATOM 95 CA ARG A 95 256.930 228.961 259.932 1.00 0.00 C +ATOM 96 CA VAL A 96 259.120 231.363 261.920 1.00 0.00 C +ATOM 97 CA HIS A 97 258.332 232.400 265.500 1.00 0.00 C +ATOM 98 CA HIS A 98 261.152 233.868 267.599 1.00 0.00 C +ATOM 99 CA ARG A 99 264.842 233.573 268.501 1.00 0.00 C +ATOM 100 CA SER A 100 267.629 235.813 269.817 1.00 0.00 C +ATOM 101 CA SER A 101 266.530 236.906 273.298 1.00 0.00 C +ATOM 102 CA ASP A 102 267.071 240.519 274.380 1.00 0.00 C +ATOM 103 CA GLN A 103 269.879 243.013 273.739 1.00 0.00 C +ATOM 104 CA VAL A 104 273.534 242.133 274.359 1.00 0.00 C +ATOM 105 CA GLY A 105 274.061 239.012 276.479 1.00 0.00 C +ATOM 106 CA ARG A 106 273.413 239.209 280.228 1.00 0.00 C +ATOM 107 CA LYS A 107 270.722 237.611 282.401 1.00 0.00 C +ATOM 108 CA THR A 108 267.292 236.395 283.529 1.00 0.00 C +ATOM 109 CA ILE A 109 267.026 237.270 287.227 1.00 0.00 C +ATOM 110 CA SER A 110 269.076 239.282 289.731 1.00 0.00 C +ATOM 111 CA ALA A 111 270.956 237.001 292.136 1.00 0.00 C +ATOM 112 CA ASN A 112 270.567 235.128 295.431 1.00 0.00 C +ATOM 113 CA THR A 113 271.389 231.409 295.482 1.00 0.00 C +ATOM 114 CA ARG A 114 272.096 229.847 298.884 1.00 0.00 C +ATOM 115 CA ASN A 115 272.388 228.109 302.263 1.00 0.00 C +ATOM 116 CA ARG A 116 275.336 226.974 304.393 1.00 0.00 C +ATOM 117 CA GLY A 117 277.825 224.957 302.330 1.00 0.00 C +ATOM 118 CA LYS A 118 281.353 223.527 302.174 1.00 0.00 C +ATOM 119 CA LYS A 119 282.451 220.424 304.093 1.00 0.00 C +ATOM 120 CA ALA A 120 283.737 217.027 305.242 1.00 0.00 C +ATOM 121 CA ALA A 121 282.382 214.109 307.284 1.00 0.00 C +ATOM 122 CA ALA A 122 280.701 213.335 310.614 1.00 0.00 C +ATOM 123 CA LYS A 123 281.593 211.412 313.780 1.00 0.00 C +ATOM 124 CA VAL A 124 284.921 209.977 314.954 1.00 0.00 C +ATOM 125 CA ALA A 125 287.128 210.179 318.053 1.00 0.00 C +ATOM 126 CA THR A 126 290.512 208.495 317.569 1.00 0.00 C +ATOM 127 CA VAL A 127 293.106 207.379 320.126 1.00 0.00 C +ATOM 128 CA ARG A 128 294.197 207.307 323.776 1.00 0.00 C +ATOM 129 CA ARG A 129 295.566 209.315 326.710 1.00 0.00 C +ATOM 130 CA SER A 130 295.109 208.438 330.389 1.00 0.00 C +ATOM 131 CA ARG A 131 298.061 206.655 332.007 1.00 0.00 C +ATOM 132 CA GLU A 132 301.478 207.995 330.984 1.00 0.00 C +ATOM 133 CA THR A 133 305.100 207.051 330.274 1.00 0.00 C +ATOM 134 CA LEU A 134 305.517 203.342 331.038 1.00 0.00 C +TER 135 LEU A 134 +END diff --git a/Bacteria/Q095U9/Q095U9.dcd b/Bacteria/Q095U9/Q095U9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..25ee43908747085c11b5aedf2fc0da2ee9c9dcc1 --- /dev/null +++ b/Bacteria/Q095U9/Q095U9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7669a8679718bf82a64c3b824a9ec597156644cbe9165d365d8532940bad79a9 +size 12680276 diff --git a/Bacteria/Q095U9/top.pdb b/Bacteria/Q095U9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4f5ade675e645e6b34a0a3147e6387d6d983b323 --- /dev/null +++ b/Bacteria/Q095U9/top.pdb @@ -0,0 +1,103 @@ +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 1 252.642 246.171 262.331 1.00 0.00 C +ATOM 2 CA ALA A 2 250.384 243.107 262.501 1.00 0.00 C +ATOM 3 CA ALA A 3 247.074 243.293 264.377 1.00 0.00 C +ATOM 4 CA ARG A 4 245.518 244.216 267.730 1.00 0.00 C +ATOM 5 CA LYS A 5 244.887 244.397 271.483 1.00 0.00 C +ATOM 6 CA ARG A 6 243.606 241.906 274.067 1.00 0.00 C +ATOM 7 CA ALA A 7 239.870 241.970 274.812 1.00 0.00 C +ATOM 8 CA LYS A 8 237.000 239.539 275.421 1.00 0.00 C +ATOM 9 CA VAL A 9 233.468 240.403 276.558 1.00 0.00 C +ATOM 10 CA LYS A 10 231.200 243.434 276.981 1.00 0.00 C +ATOM 11 CA GLN A 11 228.421 245.005 274.900 1.00 0.00 C +ATOM 12 CA GLY A 12 227.592 244.404 271.230 1.00 0.00 C +ATOM 13 CA ALA A 13 224.111 245.518 270.153 1.00 0.00 C +ATOM 14 CA LYS A 14 223.938 248.952 268.513 1.00 0.00 C +ATOM 15 CA ARG A 15 221.583 251.811 267.621 1.00 0.00 C +ATOM 16 CA SER A 16 220.334 255.124 269.030 1.00 0.00 C +ATOM 17 CA ALA A 17 217.435 256.213 271.248 1.00 0.00 C +ATOM 18 CA ARG A 18 215.045 256.044 274.211 1.00 0.00 C +ATOM 19 CA THR A 19 212.846 257.889 276.717 1.00 0.00 C +ATOM 20 CA LYS A 20 214.551 260.273 279.151 1.00 0.00 C +ATOM 21 CA PRO A 21 217.566 261.584 277.226 1.00 0.00 C +ATOM 22 CA ALA A 22 221.191 262.555 277.880 1.00 0.00 C +ATOM 23 CA PRO A 23 223.276 264.506 275.357 1.00 0.00 C +ATOM 24 CA LYS A 24 225.870 266.838 276.888 1.00 0.00 C +ATOM 25 CA ALA A 25 229.323 267.061 275.294 1.00 0.00 C +ATOM 26 CA ALA A 26 232.318 266.089 273.149 1.00 0.00 C +ATOM 27 CA VAL A 27 233.060 263.695 270.279 1.00 0.00 C +ATOM 28 CA LYS A 28 230.294 261.248 269.344 1.00 0.00 C +ATOM 29 CA LYS A 29 231.340 257.934 267.782 1.00 0.00 C +ATOM 30 CA THR A 30 228.402 256.424 265.882 1.00 0.00 C +ATOM 31 CA ALA A 31 225.577 258.729 264.779 1.00 0.00 C +ATOM 32 CA ALA A 32 227.044 262.069 263.678 1.00 0.00 C +ATOM 33 CA ARG A 33 224.535 264.932 263.522 1.00 0.00 C +ATOM 34 CA LYS A 34 225.361 267.260 260.622 1.00 0.00 C +ATOM 35 CA THR A 35 227.773 269.842 259.196 1.00 0.00 C +ATOM 36 CA ALA A 36 230.741 270.279 256.848 1.00 0.00 C +ATOM 37 CA ALA A 37 229.310 270.049 253.324 1.00 0.00 C +ATOM 38 CA ARG A 38 232.050 269.199 250.818 1.00 0.00 C +ATOM 39 CA LYS A 39 234.889 271.637 251.536 1.00 0.00 C +ATOM 40 CA THR A 40 236.791 274.867 250.854 1.00 0.00 C +ATOM 41 CA ALA A 41 240.584 274.512 250.854 1.00 0.00 C +ATOM 42 CA ALA A 42 242.156 271.804 248.683 1.00 0.00 C +ATOM 43 CA ARG A 43 244.383 269.504 250.748 1.00 0.00 C +ATOM 44 CA LYS A 44 247.325 267.242 251.611 1.00 0.00 C +ATOM 45 CA THR A 45 250.798 266.227 250.419 1.00 0.00 C +ATOM 46 CA ALA A 46 253.492 266.367 253.110 1.00 0.00 C +ATOM 47 CA ALA A 47 255.536 264.770 255.900 1.00 0.00 C +ATOM 48 CA ARG A 48 257.817 261.970 257.114 1.00 0.00 C +ATOM 49 CA LYS A 49 258.726 258.451 258.258 1.00 0.00 C +ATOM 50 CA PRO A 50 260.000 257.472 261.713 1.00 0.00 C +ATOM 51 CA ARG A 51 263.371 255.818 262.357 1.00 0.00 C +ATOM 52 CA LYS A 52 266.342 253.634 263.313 1.00 0.00 C +ATOM 53 CA GLN A 53 268.028 253.853 266.722 1.00 0.00 C +ATOM 54 CA GLY A 54 268.229 256.132 269.769 1.00 0.00 C +ATOM 55 CA GLY A 55 269.686 258.238 272.590 1.00 0.00 C +ATOM 56 CA GLY A 56 272.124 260.676 270.968 1.00 0.00 C +ATOM 57 CA LYS A 57 275.183 259.743 268.898 1.00 0.00 C +ATOM 58 CA ARG A 58 275.590 257.413 265.911 1.00 0.00 C +ATOM 59 CA LYS A 59 276.778 257.605 262.296 1.00 0.00 C +ATOM 60 CA VAL A 60 278.090 260.976 261.101 1.00 0.00 C +ATOM 61 CA THR A 61 279.749 261.114 257.673 1.00 0.00 C +ATOM 62 CA ALA A 62 280.160 261.977 253.985 1.00 0.00 C +ATOM 63 CA SER A 63 280.004 260.511 250.472 1.00 0.00 C +ATOM 64 CA ARG A 64 279.886 256.709 250.259 1.00 0.00 C +ATOM 65 CA THR A 65 279.596 253.003 251.096 1.00 0.00 C +ATOM 66 CA ALA A 66 277.553 251.070 248.526 1.00 0.00 C +ATOM 67 CA LYS A 67 275.272 249.665 245.816 1.00 0.00 C +ATOM 68 CA LYS A 68 274.522 247.043 243.156 1.00 0.00 C +ATOM 69 CA SER A 69 273.293 246.594 239.578 1.00 0.00 C +ATOM 70 CA PRO A 70 274.648 249.046 236.995 1.00 0.00 C +ATOM 71 CA ARG A 71 274.018 248.655 233.258 1.00 0.00 C +ATOM 72 CA ARG A 72 275.055 248.628 229.592 1.00 0.00 C +ATOM 73 CA THR A 73 275.501 250.822 226.509 1.00 0.00 C +ATOM 74 CA ARG A 74 272.765 252.707 224.646 1.00 0.00 C +ATOM 75 CA ARG A 75 269.826 250.540 223.558 1.00 0.00 C +ATOM 76 CA ARG A 76 269.124 247.115 225.074 1.00 0.00 C +ATOM 77 CA ALA A 77 266.527 245.311 227.199 1.00 0.00 C +ATOM 78 CA THR A 78 266.754 241.542 226.694 1.00 0.00 C +ATOM 79 CA ALA A 79 265.238 238.046 226.709 1.00 0.00 C +ATOM 80 CA GLU A 80 262.164 237.865 228.952 1.00 0.00 C +ATOM 81 CA LYS A 81 258.712 237.079 227.544 1.00 0.00 C +ATOM 82 CA ALA A 82 256.536 233.976 227.158 1.00 0.00 C +ATOM 83 CA SER A 83 257.529 231.714 224.257 1.00 0.00 C +ATOM 84 CA ALA A 84 254.309 229.893 223.346 1.00 0.00 C +ATOM 85 CA PRO A 85 254.271 226.109 222.900 1.00 0.00 C +ATOM 86 CA GLN A 86 254.777 222.522 221.723 1.00 0.00 C +ATOM 87 CA ALA A 87 257.015 219.510 222.383 1.00 0.00 C +ATOM 88 CA PRO A 88 255.861 215.958 221.627 1.00 0.00 C +ATOM 89 CA MET A 89 252.476 216.244 219.902 1.00 0.00 C +ATOM 90 CA THR A 90 253.010 217.601 216.382 1.00 0.00 C +ATOM 91 CA GLY A 91 254.154 218.802 212.952 1.00 0.00 C +ATOM 92 CA GLU A 92 255.947 222.051 212.087 1.00 0.00 C +ATOM 93 CA PRO A 93 255.834 222.174 208.280 1.00 0.00 C +ATOM 94 CA LEU A 94 253.635 220.357 205.754 1.00 0.00 C +ATOM 95 CA ARG A 95 252.021 223.012 203.549 1.00 0.00 C +ATOM 96 CA GLU A 96 254.254 224.802 201.034 1.00 0.00 C +ATOM 97 CA ASP A 97 256.187 227.908 199.969 1.00 0.00 C +ATOM 98 CA LEU A 98 258.091 227.754 196.673 1.00 0.00 C +ATOM 99 CA PHE A 99 261.269 225.697 197.101 1.00 0.00 C +TER 100 PHE A 99 +END diff --git a/Bacteria/Q095X8/Q095X8.dcd b/Bacteria/Q095X8/Q095X8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d2ce538885059455167dbc5b2d46405453b874c3 --- /dev/null +++ b/Bacteria/Q095X8/Q095X8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b0bf058d4240bf5f1b50852808417f1b8cb00b5c30507b6caebbe823d333a06d +size 10520276 diff --git a/Bacteria/Q095X8/top.pdb b/Bacteria/Q095X8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0bc70140d5d4d352d41d881549889e4d4916e089 --- /dev/null +++ b/Bacteria/Q095X8/top.pdb @@ -0,0 +1,85 @@ +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 1 260.957 254.962 226.425 1.00 0.00 C +ATOM 2 CA ASP A 2 259.124 255.531 223.133 1.00 0.00 C +ATOM 3 CA PRO A 3 256.148 255.863 220.778 1.00 0.00 C +ATOM 4 CA LYS A 4 256.141 252.605 218.801 1.00 0.00 C +ATOM 5 CA GLU A 5 257.904 249.594 217.273 1.00 0.00 C +ATOM 6 CA TRP A 6 259.235 246.031 217.051 1.00 0.00 C +ATOM 7 CA LYS A 7 257.624 243.346 219.221 1.00 0.00 C +ATOM 8 CA ASN A 8 255.357 245.282 221.594 1.00 0.00 C +ATOM 9 CA ARG A 9 252.654 242.787 222.588 1.00 0.00 C +ATOM 10 CA ASN A 10 249.598 241.859 224.665 1.00 0.00 C +ATOM 11 CA LEU A 11 249.147 239.654 227.739 1.00 0.00 C +ATOM 12 CA GLY A 12 251.391 236.798 228.891 1.00 0.00 C +ATOM 13 CA ILE A 13 253.300 233.510 228.648 1.00 0.00 C +ATOM 14 CA PRO A 14 256.021 230.848 228.818 1.00 0.00 C +ATOM 15 CA VAL A 15 257.923 228.661 231.291 1.00 0.00 C +ATOM 16 CA ASP A 16 258.980 225.179 230.161 1.00 0.00 C +ATOM 17 CA PRO A 17 257.891 221.573 230.731 1.00 0.00 C +ATOM 18 CA ALA A 18 257.613 219.229 233.721 1.00 0.00 C +ATOM 19 CA LYS A 19 257.065 215.656 234.925 1.00 0.00 C +ATOM 20 CA GLN A 20 259.144 213.785 237.512 1.00 0.00 C +ATOM 21 CA LYS A 21 262.281 212.169 238.949 1.00 0.00 C +ATOM 22 CA ASP A 22 265.078 213.258 236.603 1.00 0.00 C +ATOM 23 CA PRO A 23 268.039 214.909 238.343 1.00 0.00 C +ATOM 24 CA ASP A 24 271.223 213.525 239.912 1.00 0.00 C +ATOM 25 CA GLU A 25 270.805 213.008 243.663 1.00 0.00 C +ATOM 26 CA ASP A 26 267.341 214.285 244.607 1.00 0.00 C +ATOM 27 CA GLY A 27 265.496 216.186 247.345 1.00 0.00 C +ATOM 28 CA ASP A 28 263.669 217.750 250.300 1.00 0.00 C +ATOM 29 CA ARG A 29 260.743 219.023 252.382 1.00 0.00 C +ATOM 30 CA VAL A 30 257.377 219.578 250.685 1.00 0.00 C +ATOM 31 CA PRO A 31 257.088 223.360 250.331 1.00 0.00 C +ATOM 32 CA ALA A 32 255.038 224.083 247.202 1.00 0.00 C +ATOM 33 CA GLU A 33 251.777 225.790 246.219 1.00 0.00 C +ATOM 34 CA GLY A 34 249.179 226.842 248.800 1.00 0.00 C +ATOM 35 CA ARG A 35 250.093 230.387 249.858 1.00 0.00 C +ATOM 36 CA LYS A 36 253.080 232.692 250.391 1.00 0.00 C +ATOM 37 CA GLU A 37 254.964 235.555 252.054 1.00 0.00 C +ATOM 38 CA HIS A 38 255.355 239.154 250.866 1.00 0.00 C +ATOM 39 CA LEU A 39 254.126 242.672 250.071 1.00 0.00 C +ATOM 40 CA ASN A 40 255.193 244.922 247.188 1.00 0.00 C +ATOM 41 CA ASP A 41 256.532 248.433 247.818 1.00 0.00 C +ATOM 42 CA ILE A 42 257.506 252.013 246.951 1.00 0.00 C +ATOM 43 CA THR A 43 260.420 254.371 246.270 1.00 0.00 C +ATOM 44 CA GLU A 44 259.014 257.545 244.699 1.00 0.00 C +ATOM 45 CA GLN A 45 259.274 261.342 244.872 1.00 0.00 C +ATOM 46 CA HIS A 46 260.412 262.825 248.192 1.00 0.00 C +ATOM 47 CA GLY A 47 262.886 260.828 250.291 1.00 0.00 C +ATOM 48 CA GLY A 48 262.305 261.446 254.005 1.00 0.00 C +ATOM 49 CA GLN A 49 259.163 260.580 255.978 1.00 0.00 C +ATOM 50 CA ARG A 50 257.544 263.030 258.405 1.00 0.00 C +ATOM 51 CA THR A 51 255.936 265.333 260.979 1.00 0.00 C +ATOM 52 CA GLU A 52 258.664 267.325 262.741 1.00 0.00 C +ATOM 53 CA VAL A 53 258.876 270.837 264.201 1.00 0.00 C +ATOM 54 CA GLY A 54 255.464 272.463 264.681 1.00 0.00 C +ATOM 55 CA VAL A 55 251.665 272.354 264.958 1.00 0.00 C +ATOM 56 CA PRO A 56 250.755 269.290 267.032 1.00 0.00 C +ATOM 57 CA TYR A 57 248.620 266.250 267.878 1.00 0.00 C +ATOM 58 CA ASP A 58 246.278 263.318 267.221 1.00 0.00 C +ATOM 59 CA GLY A 59 242.591 262.604 267.860 1.00 0.00 C +ATOM 60 CA SER A 60 239.972 265.009 266.491 1.00 0.00 C +ATOM 61 CA GLY A 61 241.660 267.238 263.902 1.00 0.00 C +ATOM 62 CA ASP A 62 240.628 270.891 264.230 1.00 0.00 C +ATOM 63 CA ARG A 63 237.641 273.255 264.155 1.00 0.00 C +ATOM 64 CA GLN A 64 235.802 274.221 267.349 1.00 0.00 C +ATOM 65 CA THR A 65 232.813 271.978 268.093 1.00 0.00 C +ATOM 66 CA GLY A 66 230.577 269.048 267.129 1.00 0.00 C +ATOM 67 CA GLN A 67 228.595 267.181 264.464 1.00 0.00 C +ATOM 68 CA TRP A 68 225.374 268.478 262.895 1.00 0.00 C +ATOM 69 CA ASP A 69 222.468 270.762 261.971 1.00 0.00 C +ATOM 70 CA LYS A 70 218.882 269.871 262.898 1.00 0.00 C +ATOM 71 CA TYR A 71 217.966 271.998 265.924 1.00 0.00 C +ATOM 72 CA SER A 72 219.975 271.421 269.109 1.00 0.00 C +ATOM 73 CA ASP A 73 221.062 272.871 272.460 1.00 0.00 C +ATOM 74 CA ARG A 74 224.467 274.580 272.428 1.00 0.00 C +ATOM 75 CA ASP A 75 227.419 275.996 270.480 1.00 0.00 C +ATOM 76 CA ASP A 76 229.007 279.414 269.921 1.00 0.00 C +ATOM 77 CA LEU A 77 232.647 279.816 268.872 1.00 0.00 C +ATOM 78 CA LYS A 78 234.770 280.410 271.980 1.00 0.00 C +ATOM 79 CA LYS A 79 235.479 281.415 275.586 1.00 0.00 C +ATOM 80 CA ASN A 80 238.603 283.370 276.554 1.00 0.00 C +ATOM 81 CA GLN A 81 239.127 286.690 278.348 1.00 0.00 C +TER 82 GLN A 81 +END diff --git a/Bacteria/Q098K9/Q098K9.dcd b/Bacteria/Q098K9/Q098K9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b6b5fd939e4695c322b9e9227add39ae8c1b08a1 --- /dev/null +++ b/Bacteria/Q098K9/Q098K9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eb9eedcf32c2c7a3d6e425a9815638985ac1a12d0357d42785aac22327bcb2cd +size 5360276 diff --git a/Bacteria/Q098K9/top.pdb b/Bacteria/Q098K9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..fd4fc19ba8d43804ec79423110d87c23f42a8116 --- /dev/null +++ b/Bacteria/Q098K9/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 GLY A 1 231.861 243.010 240.223 1.00 0.00 C +ATOM 2 CA PRO A 2 232.423 239.342 241.087 1.00 0.00 C +ATOM 3 CA GLY A 3 234.168 236.263 239.679 1.00 0.00 C +ATOM 4 CA SER A 4 237.502 236.007 241.505 1.00 0.00 C +ATOM 5 CA LEU A 5 239.060 235.843 244.978 1.00 0.00 C +ATOM 6 CA ALA A 6 238.405 238.655 247.463 1.00 0.00 C +ATOM 7 CA ARG A 7 238.603 242.447 247.777 1.00 0.00 C +ATOM 8 CA VAL A 8 241.412 243.819 249.956 1.00 0.00 C +ATOM 9 CA ARG A 9 241.577 243.611 253.757 1.00 0.00 C +ATOM 10 CA LEU A 10 244.414 245.797 255.055 1.00 0.00 C +ATOM 11 CA VAL A 11 247.729 247.630 255.463 1.00 0.00 C +ATOM 12 CA PRO A 12 250.175 248.531 252.684 1.00 0.00 C +ATOM 13 CA LYS A 13 253.615 249.772 251.618 1.00 0.00 C +ATOM 14 CA LYS A 14 256.887 248.702 249.985 1.00 0.00 C +ATOM 15 CA ALA A 15 256.106 245.976 247.441 1.00 0.00 C +ATOM 16 CA LYS A 16 256.419 247.578 243.998 1.00 0.00 C +ATOM 17 CA ARG A 17 259.123 250.261 244.062 1.00 0.00 C +ATOM 18 CA PRO A 18 262.780 250.305 242.994 1.00 0.00 C +ATOM 19 CA ALA A 19 265.262 248.095 241.131 1.00 0.00 C +ATOM 20 CA PRO A 20 265.901 244.980 243.231 1.00 0.00 C +ATOM 21 CA HIS A 21 267.539 245.708 246.593 1.00 0.00 C +ATOM 22 CA GLN A 22 264.975 247.573 248.706 1.00 0.00 C +ATOM 23 CA GLY A 23 265.063 250.103 251.554 1.00 0.00 C +ATOM 24 CA ARG A 24 264.939 253.587 253.089 1.00 0.00 C +ATOM 25 CA PRO A 25 263.278 255.463 255.959 1.00 0.00 C +ATOM 26 CA SER A 26 263.208 259.147 256.929 1.00 0.00 C +ATOM 27 CA LEU A 27 261.805 262.689 256.997 1.00 0.00 C +ATOM 28 CA GLU A 28 258.010 262.999 257.131 1.00 0.00 C +ATOM 29 CA THR A 29 254.202 262.895 257.083 1.00 0.00 C +ATOM 30 CA THR A 30 251.524 260.469 258.290 1.00 0.00 C +ATOM 31 CA ALA A 31 250.252 257.127 259.605 1.00 0.00 C +ATOM 32 CA PRO A 32 247.589 255.534 257.395 1.00 0.00 C +ATOM 33 CA SER A 33 243.939 256.627 257.407 1.00 0.00 C +ATOM 34 CA GLY A 34 241.951 257.735 254.352 1.00 0.00 C +ATOM 35 CA GLY A 35 238.434 257.189 252.991 1.00 0.00 C +ATOM 36 CA ALA A 36 235.726 257.383 250.318 1.00 0.00 C +ATOM 37 CA LYS A 37 235.885 256.835 246.551 1.00 0.00 C +ATOM 38 CA HIS A 38 238.259 254.316 244.960 1.00 0.00 C +TER 39 HIS A 38 +END diff --git a/Bacteria/Q098Z2/Q098Z2.dcd b/Bacteria/Q098Z2/Q098Z2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..aed7e022245e5a118123eac684c1165eaff9e793 --- /dev/null +++ b/Bacteria/Q098Z2/Q098Z2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a534142eb6152c40522acf0ce6fcd8f697819289cfc7f3c73b74a61e5b80d22e +size 7880276 diff --git a/Bacteria/Q098Z2/top.pdb b/Bacteria/Q098Z2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5f4aeabf2f263a52c538aab5fe0254a15fdaa0aa --- /dev/null +++ b/Bacteria/Q098Z2/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 1 243.349 251.468 268.836 1.00 0.00 C +ATOM 2 CA THR A 2 246.564 249.543 269.522 1.00 0.00 C +ATOM 3 CA VAL A 3 248.018 246.077 270.143 1.00 0.00 C +ATOM 4 CA THR A 4 250.670 246.581 272.832 1.00 0.00 C +ATOM 5 CA PHE A 5 254.244 247.339 273.913 1.00 0.00 C +ATOM 6 CA ILE A 6 254.784 250.941 275.029 1.00 0.00 C +ATOM 7 CA LYS A 7 257.815 252.116 277.018 1.00 0.00 C +ATOM 8 CA ARG A 8 259.866 254.149 274.534 1.00 0.00 C +ATOM 9 CA GLN A 9 263.607 254.834 274.753 1.00 0.00 C +ATOM 10 CA LYS A 10 267.199 254.035 275.741 1.00 0.00 C +ATOM 11 CA GLU A 11 268.790 252.302 272.743 1.00 0.00 C +ATOM 12 CA ARG A 12 267.963 250.680 269.396 1.00 0.00 C +ATOM 13 CA ALA A 13 268.622 247.291 267.785 1.00 0.00 C +ATOM 14 CA ARG A 14 267.524 246.096 264.338 1.00 0.00 C +ATOM 15 CA GLN A 15 269.183 247.184 261.085 1.00 0.00 C +ATOM 16 CA GLN A 16 272.929 246.893 261.718 1.00 0.00 C +ATOM 17 CA ARG A 17 275.263 247.173 264.716 1.00 0.00 C +ATOM 18 CA ASN A 18 278.426 248.880 263.452 1.00 0.00 C +ATOM 19 CA GLN A 19 280.885 248.186 260.626 1.00 0.00 C +ATOM 20 CA ASP A 20 281.329 244.688 259.183 1.00 0.00 C +ATOM 21 CA LYS A 21 281.410 240.880 259.246 1.00 0.00 C +ATOM 22 CA GLN A 22 284.137 238.370 258.361 1.00 0.00 C +ATOM 23 CA LEU A 23 282.634 234.883 258.674 1.00 0.00 C +ATOM 24 CA LYS A 24 279.653 233.677 260.717 1.00 0.00 C +ATOM 25 CA ARG A 25 276.729 231.323 260.065 1.00 0.00 C +ATOM 26 CA GLU A 26 274.202 228.510 260.530 1.00 0.00 C +ATOM 27 CA GLN A 27 270.431 228.632 259.998 1.00 0.00 C +ATOM 28 CA LEU A 28 269.861 231.753 257.887 1.00 0.00 C +ATOM 29 CA LYS A 29 266.866 232.762 255.760 1.00 0.00 C +ATOM 30 CA ARG A 30 263.839 235.065 255.528 1.00 0.00 C +ATOM 31 CA GLU A 31 262.613 236.879 252.411 1.00 0.00 C +ATOM 32 CA LYS A 32 259.159 236.974 250.806 1.00 0.00 C +ATOM 33 CA ALA A 33 256.962 239.502 252.621 1.00 0.00 C +ATOM 34 CA GLU A 34 254.153 241.046 250.562 1.00 0.00 C +ATOM 35 CA ARG A 35 250.944 240.715 248.535 1.00 0.00 C +ATOM 36 CA PRO A 36 247.314 241.567 249.316 1.00 0.00 C +ATOM 37 CA ALA A 37 244.070 243.517 249.752 1.00 0.00 C +ATOM 38 CA ARG A 38 241.610 246.390 249.289 1.00 0.00 C +ATOM 39 CA VAL A 39 239.831 248.441 246.616 1.00 0.00 C +ATOM 40 CA SER A 40 240.356 249.372 242.959 1.00 0.00 C +ATOM 41 CA GLY A 41 238.801 250.351 239.622 1.00 0.00 C +ATOM 42 CA GLY A 42 238.443 253.465 237.456 1.00 0.00 C +ATOM 43 CA VAL A 43 236.116 256.180 238.773 1.00 0.00 C +ATOM 44 CA ASP A 44 233.675 259.103 238.898 1.00 0.00 C +ATOM 45 CA PRO A 45 231.165 258.785 236.049 1.00 0.00 C +ATOM 46 CA ASP A 46 229.284 261.381 233.991 1.00 0.00 C +ATOM 47 CA ILE A 47 229.229 261.847 230.210 1.00 0.00 C +ATOM 48 CA ALA A 48 228.156 260.140 226.977 1.00 0.00 C +ATOM 49 CA HIS A 49 224.887 259.178 225.274 1.00 0.00 C +ATOM 50 CA ILE A 50 222.978 260.254 222.157 1.00 0.00 C +ATOM 51 CA ILE A 51 220.319 262.680 223.407 1.00 0.00 C +ATOM 52 CA PRO A 52 216.562 263.123 222.957 1.00 0.00 C +ATOM 53 CA GLY A 53 214.961 262.243 219.613 1.00 0.00 C +ATOM 54 CA PRO A 54 212.125 264.375 218.226 1.00 0.00 C +ATOM 55 CA GLN A 55 211.418 267.540 216.227 1.00 0.00 C +ATOM 56 CA ALA A 56 209.756 270.945 216.627 1.00 0.00 C +ATOM 57 CA LEU A 57 210.720 273.995 214.557 1.00 0.00 C +ATOM 58 CA LEU A 58 208.784 277.252 214.957 1.00 0.00 C +ATOM 59 CA GLU A 59 208.815 280.450 217.028 1.00 0.00 C +TER 60 GLU A 59 +END diff --git a/Bacteria/Q099J4/Q099J4.dcd b/Bacteria/Q099J4/Q099J4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..9a0dfd6eeedbfac55adfd7c1b2371042ba810f0f --- /dev/null +++ b/Bacteria/Q099J4/Q099J4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:43ecb27c52ef39e1da559df18f37c6b07a748b1b311b98862d7324276192efc9 +size 6200276 diff --git a/Bacteria/Q099J4/top.pdb b/Bacteria/Q099J4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..191958fd93a10b256a4bc70aef8835b085150c6f --- /dev/null +++ b/Bacteria/Q099J4/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 1 241.469 271.462 246.981 1.00 0.00 C +ATOM 2 CA GLY A 2 241.968 274.283 244.468 1.00 0.00 C +ATOM 3 CA GLU A 3 245.694 275.053 244.279 1.00 0.00 C +ATOM 4 CA GLY A 4 249.039 276.812 243.795 1.00 0.00 C +ATOM 5 CA ILE A 5 250.650 275.537 240.587 1.00 0.00 C +ATOM 6 CA PRO A 6 251.801 277.330 237.428 1.00 0.00 C +ATOM 7 CA THR A 7 251.052 274.871 234.616 1.00 0.00 C +ATOM 8 CA THR A 8 251.538 271.108 234.956 1.00 0.00 C +ATOM 9 CA PRO A 9 248.444 268.905 235.263 1.00 0.00 C +ATOM 10 CA GLY A 10 248.688 266.931 238.512 1.00 0.00 C +ATOM 11 CA ARG A 11 248.016 264.117 240.992 1.00 0.00 C +ATOM 12 CA LYS A 12 246.623 265.496 244.260 1.00 0.00 C +ATOM 13 CA ALA A 13 248.662 266.057 247.429 1.00 0.00 C +ATOM 14 CA LEU A 14 249.784 263.778 250.268 1.00 0.00 C +ATOM 15 CA ARG A 15 251.320 266.012 252.945 1.00 0.00 C +ATOM 16 CA ARG A 16 249.808 266.402 256.421 1.00 0.00 C +ATOM 17 CA ARG A 17 248.487 263.910 258.982 1.00 0.00 C +ATOM 18 CA PRO A 18 247.339 260.651 260.585 1.00 0.00 C +ATOM 19 CA LEU A 19 249.680 258.392 262.569 1.00 0.00 C +ATOM 20 CA SER A 20 250.826 255.356 264.564 1.00 0.00 C +ATOM 21 CA SER A 21 248.702 252.351 263.576 1.00 0.00 C +ATOM 22 CA VAL A 22 249.027 250.863 260.084 1.00 0.00 C +ATOM 23 CA PRO A 23 252.239 249.745 258.367 1.00 0.00 C +ATOM 24 CA ALA A 24 255.824 248.461 258.479 1.00 0.00 C +ATOM 25 CA GLU A 25 257.711 247.009 261.453 1.00 0.00 C +ATOM 26 CA SER A 26 261.398 247.343 260.555 1.00 0.00 C +ATOM 27 CA ARG A 27 262.966 244.104 259.304 1.00 0.00 C +ATOM 28 CA VAL A 28 262.397 240.447 260.210 1.00 0.00 C +ATOM 29 CA ALA A 29 262.411 238.314 263.367 1.00 0.00 C +ATOM 30 CA GLY A 30 260.657 234.936 263.533 1.00 0.00 C +ATOM 31 CA MET A 31 261.120 232.175 260.949 1.00 0.00 C +ATOM 32 CA ARG A 32 258.949 229.557 259.232 1.00 0.00 C +ATOM 33 CA GLN A 33 255.654 231.236 258.314 1.00 0.00 C +ATOM 34 CA GLY A 34 253.168 229.023 256.460 1.00 0.00 C +ATOM 35 CA VAL A 35 250.430 227.338 254.416 1.00 0.00 C +ATOM 36 CA GLU A 36 246.698 226.572 254.375 1.00 0.00 C +ATOM 37 CA GLY A 37 244.127 228.950 252.874 1.00 0.00 C +ATOM 38 CA SER A 38 243.123 228.852 249.200 1.00 0.00 C +ATOM 39 CA GLY A 39 242.641 229.321 245.450 1.00 0.00 C +ATOM 40 CA LEU A 40 242.469 231.735 242.507 1.00 0.00 C +ATOM 41 CA ASP A 41 242.105 230.089 239.090 1.00 0.00 C +ATOM 42 CA THR A 42 240.914 230.474 235.491 1.00 0.00 C +ATOM 43 CA GLN A 43 239.798 227.139 234.026 1.00 0.00 C +ATOM 44 CA ALA A 44 241.699 225.460 231.182 1.00 0.00 C +ATOM 45 CA GLU A 45 242.880 226.039 227.606 1.00 0.00 C +TER 46 GLU A 45 +END diff --git a/Bacteria/Q099S5/Q099S5.dcd b/Bacteria/Q099S5/Q099S5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b6c08ff416766470c817369cbec4672f2bdfb30f --- /dev/null +++ b/Bacteria/Q099S5/Q099S5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:45c19208be6a1a87ae7984c069bf1e0c931922a597b06f6c7c8fe3edc1a1cc1c +size 9320276 diff --git a/Bacteria/Q099S5/top.pdb b/Bacteria/Q099S5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1aa29109bb53bf72e8fd37687238073e9bb19286 --- /dev/null +++ b/Bacteria/Q099S5/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 PRO A 1 276.425 265.281 236.674 1.00 0.00 C +ATOM 2 CA GLY A 2 278.713 263.633 239.236 1.00 0.00 C +ATOM 3 CA GLY A 3 281.870 262.258 240.866 1.00 0.00 C +ATOM 4 CA ARG A 4 283.776 263.259 244.009 1.00 0.00 C +ATOM 5 CA MET A 5 286.221 265.046 246.321 1.00 0.00 C +ATOM 6 CA GLY A 6 286.838 266.470 249.801 1.00 0.00 C +ATOM 7 CA TYR A 7 284.771 267.928 252.650 1.00 0.00 C +ATOM 8 CA GLN A 8 285.392 265.827 255.767 1.00 0.00 C +ATOM 9 CA ARG A 9 282.954 265.175 258.621 1.00 0.00 C +ATOM 10 CA GLU A 10 279.977 267.548 258.765 1.00 0.00 C +ATOM 11 CA LEU A 11 277.507 266.475 261.460 1.00 0.00 C +ATOM 12 CA PRO A 12 274.016 265.558 262.679 1.00 0.00 C +ATOM 13 CA LEU A 13 272.159 264.864 265.933 1.00 0.00 C +ATOM 14 CA PRO A 14 270.213 262.404 268.094 1.00 0.00 C +ATOM 15 CA GLU A 15 266.456 262.842 267.635 1.00 0.00 C +ATOM 16 CA GLU A 16 265.984 266.535 266.826 1.00 0.00 C +ATOM 17 CA ASP A 17 265.160 269.351 264.396 1.00 0.00 C +ATOM 18 CA GLU A 18 264.946 270.848 260.899 1.00 0.00 C +ATOM 19 CA LEU A 19 266.186 268.789 257.942 1.00 0.00 C +ATOM 20 CA ARG A 20 269.002 266.600 259.281 1.00 0.00 C +ATOM 21 CA PRO A 21 268.146 262.945 258.629 1.00 0.00 C +ATOM 22 CA GLU A 22 265.367 260.990 260.353 1.00 0.00 C +ATOM 23 CA ASP A 23 262.725 261.866 262.954 1.00 0.00 C +ATOM 24 CA PRO A 24 259.090 262.916 262.503 1.00 0.00 C +ATOM 25 CA TRP A 25 257.578 266.153 263.824 1.00 0.00 C +ATOM 26 CA GLU A 26 253.790 265.810 263.604 1.00 0.00 C +ATOM 27 CA PRO A 27 250.775 263.896 262.276 1.00 0.00 C +ATOM 28 CA ARG A 28 247.235 264.972 261.365 1.00 0.00 C +ATOM 29 CA PRO A 29 244.085 263.579 259.737 1.00 0.00 C +ATOM 30 CA ASP A 30 242.331 261.650 262.515 1.00 0.00 C +ATOM 31 CA GLY A 31 242.387 257.840 262.508 1.00 0.00 C +ATOM 32 CA GLY A 32 239.766 256.343 260.184 1.00 0.00 C +ATOM 33 CA GLU A 33 238.595 253.741 257.659 1.00 0.00 C +ATOM 34 CA PRO A 34 240.635 250.669 256.701 1.00 0.00 C +ATOM 35 CA LEU A 35 241.143 246.997 255.823 1.00 0.00 C +ATOM 36 CA LEU A 36 241.286 243.772 257.847 1.00 0.00 C +ATOM 37 CA ARG A 37 238.678 241.175 256.864 1.00 0.00 C +ATOM 38 CA LEU A 38 235.166 242.247 257.878 1.00 0.00 C +ATOM 39 CA PRO A 39 232.554 239.696 258.968 1.00 0.00 C +ATOM 40 CA PRO A 40 228.787 240.222 259.193 1.00 0.00 C +ATOM 41 CA PRO A 41 225.499 238.522 258.290 1.00 0.00 C +ATOM 42 CA LEU A 42 224.809 235.014 256.971 1.00 0.00 C +ATOM 43 CA LEU A 43 227.816 234.024 254.851 1.00 0.00 C +ATOM 44 CA PRO A 44 228.241 234.844 251.155 1.00 0.00 C +ATOM 45 CA PRO A 45 229.345 233.737 247.681 1.00 0.00 C +ATOM 46 CA LEU A 46 229.525 232.001 244.294 1.00 0.00 C +ATOM 47 CA PRO A 47 229.285 228.200 244.216 1.00 0.00 C +ATOM 48 CA GLN A 48 232.621 226.529 244.988 1.00 0.00 C +ATOM 49 CA PRO A 49 236.212 226.870 246.214 1.00 0.00 C +ATOM 50 CA LEU A 50 238.908 224.785 247.917 1.00 0.00 C +ATOM 51 CA PRO A 51 242.408 225.307 246.504 1.00 0.00 C +ATOM 52 CA LEU A 52 244.726 223.605 244.006 1.00 0.00 C +ATOM 53 CA LEU A 53 246.598 225.707 241.439 1.00 0.00 C +ATOM 54 CA PRO A 54 245.378 229.252 240.762 1.00 0.00 C +ATOM 55 CA PRO A 55 247.600 232.307 241.263 1.00 0.00 C +ATOM 56 CA LEU A 56 246.592 235.895 240.474 1.00 0.00 C +ATOM 57 CA LEU A 57 243.671 237.830 238.978 1.00 0.00 C +ATOM 58 CA PRO A 58 241.380 240.224 237.097 1.00 0.00 C +ATOM 59 CA PRO A 59 239.287 242.013 234.464 1.00 0.00 C +ATOM 60 CA PRO A 60 236.811 244.700 233.382 1.00 0.00 C +ATOM 61 CA LEU A 61 238.248 248.226 233.247 1.00 0.00 C +ATOM 62 CA LEU A 62 235.458 250.721 233.961 1.00 0.00 C +ATOM 63 CA PRO A 63 231.801 251.191 233.003 1.00 0.00 C +ATOM 64 CA PRO A 64 229.387 248.520 234.248 1.00 0.00 C +ATOM 65 CA ARG A 65 228.521 245.127 232.747 1.00 0.00 C +ATOM 66 CA PRO A 66 227.933 241.461 231.890 1.00 0.00 C +ATOM 67 CA LEU A 67 230.166 238.904 230.161 1.00 0.00 C +ATOM 68 CA PRO A 68 233.957 239.167 229.884 1.00 0.00 C +ATOM 69 CA GLY A 69 237.225 237.454 228.935 1.00 0.00 C +ATOM 70 CA ARG A 70 237.349 237.091 225.145 1.00 0.00 C +ATOM 71 CA TRP A 71 234.562 236.602 222.593 1.00 0.00 C +TER 72 TRP A 71 +END diff --git a/Bacteria/Q09A56/Q09A56.dcd b/Bacteria/Q09A56/Q09A56.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b083c6785117eeb0627ce17cf343b01f3f0fef22 --- /dev/null +++ b/Bacteria/Q09A56/Q09A56.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:332a07e738fe8e987ed9f9108456b203bf838c565c7f80bab1a86e75212216b0 +size 13280276 diff --git a/Bacteria/Q09A56/top.pdb b/Bacteria/Q09A56/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2cfee969bccc86b8294b1447c2e36ba3d7c085b9 --- /dev/null +++ b/Bacteria/Q09A56/top.pdb @@ -0,0 +1,108 @@ +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 1 264.136 241.811 238.550 1.00 0.00 C +ATOM 2 CA GLY A 2 260.980 243.335 237.056 1.00 0.00 C +ATOM 3 CA ASP A 3 258.256 243.410 234.393 1.00 0.00 C +ATOM 4 CA HIS A 4 257.898 244.828 230.875 1.00 0.00 C +ATOM 5 CA GLY A 5 259.955 247.920 230.021 1.00 0.00 C +ATOM 6 CA ARG A 6 261.930 248.265 226.781 1.00 0.00 C +ATOM 7 CA SER A 7 263.420 245.760 224.328 1.00 0.00 C +ATOM 8 CA LEU A 8 265.210 243.021 226.279 1.00 0.00 C +ATOM 9 CA PRO A 9 264.328 242.861 229.982 1.00 0.00 C +ATOM 10 CA LYS A 10 263.600 239.391 231.376 1.00 0.00 C +ATOM 11 CA GLU A 11 261.392 236.446 230.394 1.00 0.00 C +ATOM 12 CA ASN A 12 259.502 233.154 230.727 1.00 0.00 C +ATOM 13 CA PRO A 13 257.895 232.779 234.160 1.00 0.00 C +ATOM 14 CA HIS A 14 254.306 231.500 234.169 1.00 0.00 C +ATOM 15 CA ALA A 15 250.550 230.861 234.136 1.00 0.00 C +ATOM 16 CA PRO A 16 246.778 230.960 234.665 1.00 0.00 C +ATOM 17 CA PRO A 17 245.627 227.411 235.439 1.00 0.00 C +ATOM 18 CA PRO A 18 243.519 224.466 236.623 1.00 0.00 C +ATOM 19 CA GLU A 19 242.870 220.715 236.779 1.00 0.00 C +ATOM 20 CA ALA A 20 244.576 217.337 237.215 1.00 0.00 C +ATOM 21 CA PRO A 21 244.170 215.606 233.845 1.00 0.00 C +ATOM 22 CA TYR A 22 246.870 215.027 231.220 1.00 0.00 C +ATOM 23 CA ARG A 23 250.020 216.729 232.521 1.00 0.00 C +ATOM 24 CA ARG A 24 253.130 218.928 232.623 1.00 0.00 C +ATOM 25 CA ASP A 25 252.670 222.055 234.750 1.00 0.00 C +ATOM 26 CA ALA A 26 252.309 220.741 238.307 1.00 0.00 C +ATOM 27 CA LEU A 27 252.404 220.025 242.048 1.00 0.00 C +ATOM 28 CA CYS A 28 253.103 217.186 244.491 1.00 0.00 C +ATOM 29 CA LEU A 29 251.324 213.857 245.010 1.00 0.00 C +ATOM 30 CA LEU A 30 248.510 213.783 242.442 1.00 0.00 C +ATOM 31 CA PRO A 31 244.757 213.322 241.974 1.00 0.00 C +ATOM 32 CA ALA A 32 243.831 210.473 244.328 1.00 0.00 C +ATOM 33 CA ARG A 33 241.765 208.156 246.537 1.00 0.00 C +ATOM 34 CA PRO A 34 239.722 205.093 245.560 1.00 0.00 C +ATOM 35 CA GLY A 35 236.441 204.558 247.422 1.00 0.00 C +ATOM 36 CA ARG A 36 234.371 207.110 249.351 1.00 0.00 C +ATOM 37 CA LEU A 37 234.214 210.598 250.875 1.00 0.00 C +ATOM 38 CA LEU A 38 235.516 213.572 252.869 1.00 0.00 C +ATOM 39 CA HIS A 39 236.500 212.251 256.304 1.00 0.00 C +ATOM 40 CA PRO A 40 237.194 213.565 259.813 1.00 0.00 C +ATOM 41 CA ARG A 41 239.976 215.930 260.900 1.00 0.00 C +ATOM 42 CA GLY A 42 240.245 219.280 262.695 1.00 0.00 C +ATOM 43 CA ARG A 43 236.722 220.680 263.080 1.00 0.00 C +ATOM 44 CA PRO A 44 236.880 224.084 264.785 1.00 0.00 C +ATOM 45 CA ARG A 45 238.064 227.519 263.636 1.00 0.00 C +ATOM 46 CA GLY A 46 240.579 229.556 265.646 1.00 0.00 C +ATOM 47 CA HIS A 47 239.850 233.287 265.385 1.00 0.00 C +ATOM 48 CA PRO A 48 240.129 235.506 268.469 1.00 0.00 C +ATOM 49 CA VAL A 49 243.060 236.701 270.589 1.00 0.00 C +ATOM 50 CA PRO A 50 246.741 237.664 270.793 1.00 0.00 C +ATOM 51 CA GLY A 51 249.782 238.605 272.886 1.00 0.00 C +ATOM 52 CA ARG A 52 252.704 239.508 275.159 1.00 0.00 C +ATOM 53 CA THR A 53 252.123 242.606 277.299 1.00 0.00 C +ATOM 54 CA ALA A 54 250.082 245.170 275.357 1.00 0.00 C +ATOM 55 CA ARG A 55 247.402 247.067 277.290 1.00 0.00 C +ATOM 56 CA GLU A 56 247.774 250.847 276.992 1.00 0.00 C +ATOM 57 CA ASP A 57 250.051 252.210 279.726 1.00 0.00 C +ATOM 58 CA LYS A 58 252.507 255.113 279.953 1.00 0.00 C +ATOM 59 CA HIS A 59 256.266 254.546 280.213 1.00 0.00 C +ATOM 60 CA ARG A 60 259.033 255.838 277.935 1.00 0.00 C +ATOM 61 CA ARG A 61 258.944 258.419 275.134 1.00 0.00 C +ATOM 62 CA PRO A 62 260.018 261.886 273.975 1.00 0.00 C +ATOM 63 CA ALA A 63 259.551 264.341 271.099 1.00 0.00 C +ATOM 64 CA THR A 64 256.999 267.046 270.274 1.00 0.00 C +ATOM 65 CA PRO A 65 255.321 267.031 266.854 1.00 0.00 C +ATOM 66 CA PRO A 66 256.900 264.948 264.082 1.00 0.00 C +ATOM 67 CA VAL A 67 255.572 264.111 260.610 1.00 0.00 C +ATOM 68 CA PRO A 68 254.631 264.637 256.956 1.00 0.00 C +ATOM 69 CA GLY A 69 257.599 266.151 255.107 1.00 0.00 C +ATOM 70 CA GLY A 70 258.298 268.634 252.303 1.00 0.00 C +ATOM 71 CA PRO A 71 256.785 272.116 251.980 1.00 0.00 C +ATOM 72 CA GLY A 72 255.537 274.028 255.030 1.00 0.00 C +ATOM 73 CA VAL A 73 251.913 273.003 255.606 1.00 0.00 C +ATOM 74 CA HIS A 74 248.983 274.952 257.067 1.00 0.00 C +ATOM 75 CA ASP A 75 247.471 274.648 260.551 1.00 0.00 C +ATOM 76 CA ALA A 76 249.311 274.722 263.886 1.00 0.00 C +ATOM 77 CA THR A 77 251.806 277.553 264.413 1.00 0.00 C +ATOM 78 CA ARG A 78 253.780 280.718 263.637 1.00 0.00 C +ATOM 79 CA ALA A 79 254.302 284.442 264.250 1.00 0.00 C +ATOM 80 CA ASP A 80 255.181 287.703 262.486 1.00 0.00 C +ATOM 81 CA GLY A 81 253.872 290.286 260.010 1.00 0.00 C +ATOM 82 CA GLY A 82 252.768 292.531 257.136 1.00 0.00 C +ATOM 83 CA TYR A 83 249.939 290.710 255.348 1.00 0.00 C +ATOM 84 CA ARG A 84 246.987 291.327 253.020 1.00 0.00 C +ATOM 85 CA ASP A 85 244.823 291.343 249.885 1.00 0.00 C +ATOM 86 CA GLY A 86 246.553 289.093 247.343 1.00 0.00 C +ATOM 87 CA GLY A 87 250.214 288.563 248.252 1.00 0.00 C +ATOM 88 CA ALA A 88 251.227 285.084 247.075 1.00 0.00 C +ATOM 89 CA VAL A 89 250.267 282.983 244.045 1.00 0.00 C +ATOM 90 CA PRO A 90 247.816 280.700 242.229 1.00 0.00 C +ATOM 91 CA ALA A 91 247.210 277.894 239.724 1.00 0.00 C +ATOM 92 CA GLY A 92 245.588 274.926 237.970 1.00 0.00 C +ATOM 93 CA ASN A 93 247.891 274.135 235.040 1.00 0.00 C +ATOM 94 CA PRO A 94 250.771 272.567 233.100 1.00 0.00 C +ATOM 95 CA PHE A 95 250.978 274.251 229.689 1.00 0.00 C +ATOM 96 CA ARG A 96 250.554 277.826 228.443 1.00 0.00 C +ATOM 97 CA PRO A 97 247.772 279.849 230.081 1.00 0.00 C +ATOM 98 CA GLY A 98 247.277 281.617 233.419 1.00 0.00 C +ATOM 99 CA ARG A 99 250.560 282.717 235.009 1.00 0.00 C +ATOM 100 CA ARG A 100 251.398 286.314 235.946 1.00 0.00 C +ATOM 101 CA SER A 101 248.979 287.542 238.621 1.00 0.00 C +ATOM 102 CA ALA A 102 246.387 287.629 241.413 1.00 0.00 C +ATOM 103 CA ARG A 103 243.208 289.411 240.303 1.00 0.00 C +ATOM 104 CA LEU A 104 242.535 289.028 236.572 1.00 0.00 C +TER 105 LEU A 104 +END diff --git a/Bacteria/Q09BZ0/Q09BZ0.dcd b/Bacteria/Q09BZ0/Q09BZ0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..7117fc612044175a6246a81bf463ae403e83dbe2 --- /dev/null +++ b/Bacteria/Q09BZ0/Q09BZ0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cf5ae8b43abaa6a671824d4f2dd0106ce80e9e43711916684c7807fcf9c6d674 +size 5240276 diff --git a/Bacteria/Q09BZ0/top.pdb b/Bacteria/Q09BZ0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..498114512eb31f38e08abc0bee4e74c3d22b4796 --- /dev/null +++ b/Bacteria/Q09BZ0/top.pdb @@ -0,0 +1,41 @@ +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 1 267.150 242.517 228.527 1.00 0.00 C +ATOM 2 CA SER A 2 270.319 242.250 230.625 1.00 0.00 C +ATOM 3 CA ARG A 3 269.958 244.873 233.364 1.00 0.00 C +ATOM 4 CA SER A 4 272.787 245.421 235.856 1.00 0.00 C +ATOM 5 CA ALA A 5 272.160 244.546 239.511 1.00 0.00 C +ATOM 6 CA ARG A 6 274.410 244.300 242.576 1.00 0.00 C +ATOM 7 CA SER A 7 273.688 240.835 243.989 1.00 0.00 C +ATOM 8 CA ARG A 8 272.762 237.859 246.180 1.00 0.00 C +ATOM 9 CA THR A 9 270.451 238.600 249.118 1.00 0.00 C +ATOM 10 CA PRO A 10 266.758 238.647 250.052 1.00 0.00 C +ATOM 11 CA SER A 11 265.445 240.182 253.282 1.00 0.00 C +ATOM 12 CA LEU A 12 266.255 243.566 254.835 1.00 0.00 C +ATOM 13 CA PRO A 13 267.392 246.728 256.630 1.00 0.00 C +ATOM 14 CA ARG A 14 267.905 249.826 258.787 1.00 0.00 C +ATOM 15 CA GLU A 15 265.530 251.947 260.879 1.00 0.00 C +ATOM 16 CA GLY A 16 261.832 251.033 260.850 1.00 0.00 C +ATOM 17 CA GLY A 17 259.485 253.054 258.631 1.00 0.00 C +ATOM 18 CA SER A 18 256.382 254.870 259.894 1.00 0.00 C +ATOM 19 CA SER A 19 253.768 257.562 259.232 1.00 0.00 C +ATOM 20 CA LYS A 20 250.316 259.166 259.088 1.00 0.00 C +ATOM 21 CA ARG A 21 247.109 258.884 257.049 1.00 0.00 C +ATOM 22 CA ASN A 22 244.917 261.473 255.316 1.00 0.00 C +ATOM 23 CA GLY A 23 242.117 263.865 256.292 1.00 0.00 C +ATOM 24 CA LEU A 24 238.442 262.900 256.579 1.00 0.00 C +ATOM 25 CA ARG A 25 236.499 264.793 253.903 1.00 0.00 C +ATOM 26 CA ALA A 26 235.480 264.810 250.232 1.00 0.00 C +ATOM 27 CA GLY A 27 234.475 261.220 249.448 1.00 0.00 C +ATOM 28 CA GLU A 28 232.221 260.267 246.528 1.00 0.00 C +ATOM 29 CA GLY A 29 230.212 257.043 246.240 1.00 0.00 C +ATOM 30 CA GLY A 30 227.163 255.522 247.946 1.00 0.00 C +ATOM 31 CA LEU A 31 224.419 253.397 246.373 1.00 0.00 C +ATOM 32 CA THR A 32 224.645 249.595 246.448 1.00 0.00 C +ATOM 33 CA ASP A 33 224.051 246.138 247.935 1.00 0.00 C +ATOM 34 CA ILE A 34 221.467 243.345 248.139 1.00 0.00 C +ATOM 35 CA ASN A 35 219.760 240.619 250.181 1.00 0.00 C +ATOM 36 CA GLU A 36 220.831 238.352 253.051 1.00 0.00 C +ATOM 37 CA VAL A 37 221.440 239.995 256.434 1.00 0.00 C +TER 38 VAL A 37 +END diff --git a/Bacteria/Q09C43/Q09C43.dcd b/Bacteria/Q09C43/Q09C43.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a03ae52a61145bbcef64ef8084992374aadf3367 --- /dev/null +++ b/Bacteria/Q09C43/Q09C43.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e7293ccf28bc6fe1a262f6f324f6e95032018481c8270945ed534685de558f8e +size 6320276 diff --git a/Bacteria/Q09C43/top.pdb b/Bacteria/Q09C43/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..042a2acc1fe0479263910af58586ff06622c94bc --- /dev/null +++ b/Bacteria/Q09C43/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 1 247.232 250.117 279.892 1.00 0.00 C +ATOM 2 CA SER A 2 243.799 251.151 278.602 1.00 0.00 C +ATOM 3 CA GLN A 3 240.543 252.190 276.919 1.00 0.00 C +ATOM 4 CA ALA A 4 239.086 253.887 273.834 1.00 0.00 C +ATOM 5 CA ILE A 5 239.079 256.068 270.710 1.00 0.00 C +ATOM 6 CA PRO A 6 238.014 259.712 270.384 1.00 0.00 C +ATOM 7 CA GLY A 7 238.472 263.423 271.114 1.00 0.00 C +ATOM 8 CA SER A 8 240.563 266.095 272.847 1.00 0.00 C +ATOM 9 CA PRO A 9 243.881 264.377 273.593 1.00 0.00 C +ATOM 10 CA ARG A 10 245.237 260.946 274.546 1.00 0.00 C +ATOM 11 CA TRP A 11 248.199 259.453 272.672 1.00 0.00 C +ATOM 12 CA THR A 12 250.241 257.872 269.870 1.00 0.00 C +ATOM 13 CA SER A 13 251.912 259.252 266.737 1.00 0.00 C +ATOM 14 CA PRO A 14 251.709 256.430 264.185 1.00 0.00 C +ATOM 15 CA PRO A 15 248.792 255.491 261.921 1.00 0.00 C +ATOM 16 CA GLY A 16 245.374 255.877 263.560 1.00 0.00 C +ATOM 17 CA ALA A 17 241.905 256.371 262.065 1.00 0.00 C +ATOM 18 CA SER A 18 238.934 255.497 259.845 1.00 0.00 C +ATOM 19 CA SER A 19 238.133 257.092 256.479 1.00 0.00 C +ATOM 20 CA SER A 20 236.782 255.058 253.555 1.00 0.00 C +ATOM 21 CA ARG A 21 237.987 251.541 252.722 1.00 0.00 C +ATOM 22 CA ASN A 22 240.213 249.397 250.494 1.00 0.00 C +ATOM 23 CA ILE A 23 241.249 247.682 247.253 1.00 0.00 C +ATOM 24 CA THR A 24 239.462 244.620 245.857 1.00 0.00 C +ATOM 25 CA PRO A 25 239.562 241.324 243.949 1.00 0.00 C +ATOM 26 CA PRO A 26 243.068 239.850 244.182 1.00 0.00 C +ATOM 27 CA ARG A 27 246.443 240.927 242.782 1.00 0.00 C +ATOM 28 CA ALA A 28 249.524 242.254 240.976 1.00 0.00 C +ATOM 29 CA ASN A 29 250.768 245.766 240.179 1.00 0.00 C +ATOM 30 CA GLN A 30 249.605 248.098 237.399 1.00 0.00 C +ATOM 31 CA GLY A 31 251.214 248.957 234.054 1.00 0.00 C +ATOM 32 CA SER A 32 252.075 251.018 230.968 1.00 0.00 C +ATOM 33 CA PRO A 33 255.153 252.159 229.033 1.00 0.00 C +ATOM 34 CA MET A 34 258.180 254.375 229.695 1.00 0.00 C +ATOM 35 CA PRO A 35 261.388 252.326 229.857 1.00 0.00 C +ATOM 36 CA SER A 36 263.695 250.991 232.579 1.00 0.00 C +ATOM 37 CA SER A 37 262.001 249.148 235.452 1.00 0.00 C +ATOM 38 CA PRO A 38 260.720 245.767 236.653 1.00 0.00 C +ATOM 39 CA THR A 39 263.460 243.120 236.687 1.00 0.00 C +ATOM 40 CA SER A 40 264.596 241.289 233.545 1.00 0.00 C +ATOM 41 CA ALA A 41 266.211 239.005 230.958 1.00 0.00 C +ATOM 42 CA GLU A 42 266.790 239.190 227.197 1.00 0.00 C +ATOM 43 CA GLN A 43 266.927 238.727 223.418 1.00 0.00 C +ATOM 44 CA PRO A 44 266.540 234.996 222.749 1.00 0.00 C +ATOM 45 CA THR A 45 267.151 231.260 222.316 1.00 0.00 C +ATOM 46 CA ARG A 46 268.129 229.850 225.718 1.00 0.00 C +TER 47 ARG A 46 +END diff --git a/Bacteria/Q09D64/Q09D64.dcd b/Bacteria/Q09D64/Q09D64.dcd new file mode 100644 index 0000000000000000000000000000000000000000..369106554fc91f2950909433af167b45c7a32269 --- /dev/null +++ b/Bacteria/Q09D64/Q09D64.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b36759c480810a0c709ff61d675616e442132b2c550b53be47747528c087b5a5 +size 11720276 diff --git a/Bacteria/Q09D64/top.pdb b/Bacteria/Q09D64/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c21e2b10f6a24a658cc643c334433e4c0c353218 --- /dev/null +++ b/Bacteria/Q09D64/top.pdb @@ -0,0 +1,95 @@ +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 1 253.762 263.890 228.492 1.00 0.00 C +ATOM 2 CA SER A 2 251.153 266.006 230.290 1.00 0.00 C +ATOM 3 CA LYS A 3 248.154 266.507 227.994 1.00 0.00 C +ATOM 4 CA ARG A 4 249.138 265.184 224.560 1.00 0.00 C +ATOM 5 CA LYS A 5 249.165 267.912 221.900 1.00 0.00 C +ATOM 6 CA TYR A 6 252.336 270.022 221.813 1.00 0.00 C +ATOM 7 CA SER A 7 253.047 272.747 224.379 1.00 0.00 C +ATOM 8 CA PRO A 8 254.041 274.964 227.314 1.00 0.00 C +ATOM 9 CA ASN A 9 257.124 276.865 228.497 1.00 0.00 C +ATOM 10 CA ARG A 10 260.345 277.980 230.200 1.00 0.00 C +ATOM 11 CA GLY A 11 262.176 279.311 233.265 1.00 0.00 C +ATOM 12 CA HIS A 12 260.050 278.139 236.201 1.00 0.00 C +ATOM 13 CA GLN A 13 257.859 275.729 238.178 1.00 0.00 C +ATOM 14 CA ALA A 14 254.334 274.306 237.920 1.00 0.00 C +ATOM 15 CA PRO A 15 253.042 274.822 234.373 1.00 0.00 C +ATOM 16 CA HIS A 16 251.245 277.757 232.738 1.00 0.00 C +ATOM 17 CA LYS A 17 248.104 278.980 234.514 1.00 0.00 C +ATOM 18 CA PRO A 18 244.923 278.597 232.453 1.00 0.00 C +ATOM 19 CA SER A 19 241.578 277.906 230.765 1.00 0.00 C +ATOM 20 CA PHE A 20 240.127 279.897 227.858 1.00 0.00 C +ATOM 21 CA ALA A 21 238.432 279.636 224.456 1.00 0.00 C +ATOM 22 CA LYS A 22 235.341 277.901 223.060 1.00 0.00 C +ATOM 23 CA ASP A 23 235.084 276.019 219.757 1.00 0.00 C +ATOM 24 CA ARG A 24 234.922 272.225 219.451 1.00 0.00 C +ATOM 25 CA VAL A 25 235.064 270.232 222.695 1.00 0.00 C +ATOM 26 CA GLU A 26 235.622 268.864 226.207 1.00 0.00 C +ATOM 27 CA ARG A 27 237.178 267.581 229.440 1.00 0.00 C +ATOM 28 CA GLY A 28 238.015 267.862 233.146 1.00 0.00 C +ATOM 29 CA LEU A 29 241.128 267.667 235.334 1.00 0.00 C +ATOM 30 CA GLU A 30 244.608 267.428 233.802 1.00 0.00 C +ATOM 31 CA ALA A 31 247.259 270.108 234.357 1.00 0.00 C +ATOM 32 CA ASP A 32 248.390 271.108 237.855 1.00 0.00 C +ATOM 33 CA SER A 33 251.080 269.039 239.587 1.00 0.00 C +ATOM 34 CA SER A 34 252.245 268.127 243.099 1.00 0.00 C +ATOM 35 CA LYS A 35 252.103 270.875 245.734 1.00 0.00 C +ATOM 36 CA PRO A 36 254.098 272.548 248.516 1.00 0.00 C +ATOM 37 CA LEU A 37 256.600 275.254 247.547 1.00 0.00 C +ATOM 38 CA PHE A 38 260.067 276.819 247.329 1.00 0.00 C +ATOM 39 CA ALA A 39 262.517 277.359 244.462 1.00 0.00 C +ATOM 40 CA ASP A 40 265.349 275.116 243.251 1.00 0.00 C +ATOM 41 CA ALA A 41 266.217 271.599 244.431 1.00 0.00 C +ATOM 42 CA SER A 42 263.478 269.704 246.281 1.00 0.00 C +ATOM 43 CA LYS A 43 260.487 267.523 247.184 1.00 0.00 C +ATOM 44 CA HIS A 44 259.471 263.950 248.032 1.00 0.00 C +ATOM 45 CA ASP A 45 259.261 263.470 251.806 1.00 0.00 C +ATOM 46 CA THR A 46 259.898 266.336 254.233 1.00 0.00 C +ATOM 47 CA ARG A 47 262.811 267.329 256.479 1.00 0.00 C +ATOM 48 CA GLU A 48 264.416 265.494 259.408 1.00 0.00 C +ATOM 49 CA GLN A 49 262.660 264.521 262.646 1.00 0.00 C +ATOM 50 CA LYS A 50 260.773 265.278 265.868 1.00 0.00 C +ATOM 51 CA PHE A 51 262.274 266.532 269.138 1.00 0.00 C +ATOM 52 CA ALA A 52 263.749 264.712 272.142 1.00 0.00 C +ATOM 53 CA LEU A 53 261.658 262.352 274.281 1.00 0.00 C +ATOM 54 CA ASP A 54 263.220 258.878 274.211 1.00 0.00 C +ATOM 55 CA SER A 55 263.791 255.459 272.628 1.00 0.00 C +ATOM 56 CA ASP A 56 263.191 254.733 268.936 1.00 0.00 C +ATOM 57 CA GLY A 57 264.153 251.231 267.784 1.00 0.00 C +ATOM 58 CA PRO A 58 264.276 247.463 267.233 1.00 0.00 C +ATOM 59 CA ALA A 59 262.909 244.447 265.349 1.00 0.00 C +ATOM 60 CA GLY A 60 260.529 241.502 264.926 1.00 0.00 C +ATOM 61 CA GLY A 61 256.922 240.308 265.211 1.00 0.00 C +ATOM 62 CA PRO A 62 255.430 239.751 268.672 1.00 0.00 C +ATOM 63 CA VAL A 63 252.040 238.688 270.049 1.00 0.00 C +ATOM 64 CA VAL A 64 249.672 235.792 269.329 1.00 0.00 C +ATOM 65 CA ASP A 65 250.343 232.049 269.560 1.00 0.00 C +ATOM 66 CA VAL A 66 251.679 229.640 272.193 1.00 0.00 C +ATOM 67 CA ARG A 67 252.918 226.064 272.628 1.00 0.00 C +ATOM 68 CA SER A 68 251.935 223.890 275.599 1.00 0.00 C +ATOM 69 CA PRO A 69 249.041 221.450 276.027 1.00 0.00 C +ATOM 70 CA ILE A 70 246.290 219.556 277.862 1.00 0.00 C +ATOM 71 CA ASP A 71 245.814 216.977 280.625 1.00 0.00 C +ATOM 72 CA GLU A 72 245.859 213.907 282.881 1.00 0.00 C +ATOM 73 CA ALA A 73 245.134 210.177 282.600 1.00 0.00 C +ATOM 74 CA ASP A 74 245.254 206.467 281.744 1.00 0.00 C +ATOM 75 CA GLU A 75 246.439 205.211 278.348 1.00 0.00 C +ATOM 76 CA TYR A 76 244.893 203.064 275.607 1.00 0.00 C +ATOM 77 CA ALA A 77 244.791 203.968 271.907 1.00 0.00 C +ATOM 78 CA ARG A 78 243.390 202.832 268.551 1.00 0.00 C +ATOM 79 CA GLN A 79 240.963 203.056 265.622 1.00 0.00 C +ATOM 80 CA HIS A 80 242.272 200.703 262.927 1.00 0.00 C +ATOM 81 CA ARG A 81 241.212 197.928 260.541 1.00 0.00 C +ATOM 82 CA GLY A 82 239.936 199.749 257.447 1.00 0.00 C +ATOM 83 CA PHE A 83 237.314 202.490 257.088 1.00 0.00 C +ATOM 84 CA THR A 84 236.123 204.052 253.823 1.00 0.00 C +ATOM 85 CA GLU A 85 234.023 205.909 251.243 1.00 0.00 C +ATOM 86 CA SER A 86 231.989 204.824 248.209 1.00 0.00 C +ATOM 87 CA GLU A 87 232.695 201.772 246.041 1.00 0.00 C +ATOM 88 CA ASP A 88 230.325 201.931 243.062 1.00 0.00 C +ATOM 89 CA GLU A 89 230.340 205.473 241.659 1.00 0.00 C +ATOM 90 CA GLN A 90 229.026 208.412 243.697 1.00 0.00 C +ATOM 91 CA GLY A 91 229.909 212.110 243.461 1.00 0.00 C +TER 92 GLY A 91 +END diff --git a/Bacteria/Q09DM3/Q09DM3.dcd b/Bacteria/Q09DM3/Q09DM3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..30426c5b02af5a0f297583e0a0d60b8d6369cebd --- /dev/null +++ b/Bacteria/Q09DM3/Q09DM3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1b21392bb41feb7fa10409f00afbeb47db4b4873744eb9159c43ca35b3f6093f +size 4880276 diff --git a/Bacteria/Q09DM3/top.pdb b/Bacteria/Q09DM3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..58b14dc18a49944459f13170a32427944a0fba61 --- /dev/null +++ b/Bacteria/Q09DM3/top.pdb @@ -0,0 +1,38 @@ +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 1 240.487 235.912 259.430 1.00 0.00 C +ATOM 2 CA ALA A 2 238.344 234.385 256.675 1.00 0.00 C +ATOM 3 CA ARG A 3 235.454 236.588 255.530 1.00 0.00 C +ATOM 4 CA GLY A 4 231.702 237.235 255.399 1.00 0.00 C +ATOM 5 CA PRO A 5 230.333 237.170 251.844 1.00 0.00 C +ATOM 6 CA SER A 6 230.940 239.596 248.969 1.00 0.00 C +ATOM 7 CA GLY A 7 234.697 240.211 248.810 1.00 0.00 C +ATOM 8 CA ALA A 8 238.254 238.905 248.411 1.00 0.00 C +ATOM 9 CA ARG A 9 240.025 238.313 251.732 1.00 0.00 C +ATOM 10 CA LEU A 10 242.901 236.202 253.068 1.00 0.00 C +ATOM 11 CA PRO A 11 246.503 235.271 253.889 1.00 0.00 C +ATOM 12 CA ALA A 12 250.303 235.034 253.753 1.00 0.00 C +ATOM 13 CA CYS A 13 251.578 235.363 250.178 1.00 0.00 C +ATOM 14 CA PRO A 14 253.994 236.074 247.319 1.00 0.00 C +ATOM 15 CA GLU A 15 254.968 238.454 244.508 1.00 0.00 C +ATOM 16 CA GLY A 16 256.854 241.511 243.237 1.00 0.00 C +ATOM 17 CA THR A 17 257.796 245.145 243.885 1.00 0.00 C +ATOM 18 CA SER A 18 255.925 248.276 244.984 1.00 0.00 C +ATOM 19 CA GLY A 19 257.701 249.901 247.937 1.00 0.00 C +ATOM 20 CA GLN A 20 260.915 251.930 248.200 1.00 0.00 C +ATOM 21 CA GLY A 21 260.997 254.883 250.606 1.00 0.00 C +ATOM 22 CA ARG A 22 263.062 256.760 253.200 1.00 0.00 C +ATOM 23 CA ILE A 23 261.937 258.504 256.395 1.00 0.00 C +ATOM 24 CA PRO A 24 258.618 257.800 258.128 1.00 0.00 C +ATOM 25 CA VAL A 25 255.850 259.339 256.010 1.00 0.00 C +ATOM 26 CA ALA A 26 254.822 261.858 253.342 1.00 0.00 C +ATOM 27 CA ARG A 27 255.513 262.646 249.679 1.00 0.00 C +ATOM 28 CA CYS A 28 253.940 264.016 246.491 1.00 0.00 C +ATOM 29 CA GLY A 29 255.314 266.825 244.314 1.00 0.00 C +ATOM 30 CA ARG A 30 254.696 269.927 242.191 1.00 0.00 C +ATOM 31 CA TYR A 31 256.747 273.133 242.364 1.00 0.00 C +ATOM 32 CA PRO A 32 254.883 275.977 244.083 1.00 0.00 C +ATOM 33 CA PRO A 33 252.968 274.975 247.221 1.00 0.00 C +ATOM 34 CA GLY A 34 250.979 271.883 248.220 1.00 0.00 C +TER 35 GLY A 34 +END diff --git a/Bacteria/Q09DP1/Q09DP1.dcd b/Bacteria/Q09DP1/Q09DP1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..1828894a6affce82bc85d607b0867670e8b4aa81 --- /dev/null +++ b/Bacteria/Q09DP1/Q09DP1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e5b642211f0db764d3e23331140d10a0c0298540a722dbfafaf905943650552f +size 5000276 diff --git a/Bacteria/Q09DP1/top.pdb b/Bacteria/Q09DP1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..304b0461c6f49c5790c74aeca986b8d47429a09d --- /dev/null +++ b/Bacteria/Q09DP1/top.pdb @@ -0,0 +1,39 @@ +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 1 250.863 232.497 243.666 1.00 0.00 C +ATOM 2 CA SER A 2 250.057 236.116 244.545 1.00 0.00 C +ATOM 3 CA LEU A 3 252.246 238.352 242.371 1.00 0.00 C +ATOM 4 CA GLN A 4 252.346 241.942 243.640 1.00 0.00 C +ATOM 5 CA ASP A 5 249.555 243.188 245.915 1.00 0.00 C +ATOM 6 CA SER A 6 251.012 245.249 248.770 1.00 0.00 C +ATOM 7 CA ALA A 7 253.159 246.151 251.785 1.00 0.00 C +ATOM 8 CA ILE A 8 256.549 244.483 252.272 1.00 0.00 C +ATOM 9 CA SER A 9 259.406 246.001 254.285 1.00 0.00 C +ATOM 10 CA PRO A 10 263.115 245.132 254.201 1.00 0.00 C +ATOM 11 CA ALA A 11 265.623 244.616 257.022 1.00 0.00 C +ATOM 12 CA ALA A 12 266.676 244.104 260.647 1.00 0.00 C +ATOM 13 CA SER A 13 264.431 245.165 263.537 1.00 0.00 C +ATOM 14 CA HIS A 14 261.670 246.942 265.470 1.00 0.00 C +ATOM 15 CA PHE A 15 258.178 245.513 264.943 1.00 0.00 C +ATOM 16 CA PRO A 16 255.444 243.754 262.956 1.00 0.00 C +ATOM 17 CA GLU A 17 254.117 242.845 259.502 1.00 0.00 C +ATOM 18 CA SER A 18 250.985 241.994 257.507 1.00 0.00 C +ATOM 19 CA HIS A 19 247.320 242.221 256.491 1.00 0.00 C +ATOM 20 CA ARG A 20 245.707 243.840 253.442 1.00 0.00 C +ATOM 21 CA ARG A 21 245.464 246.637 250.867 1.00 0.00 C +ATOM 22 CA ALA A 22 242.883 248.423 248.706 1.00 0.00 C +ATOM 23 CA GLU A 23 242.566 251.913 250.202 1.00 0.00 C +ATOM 24 CA ASN A 24 239.932 253.961 248.363 1.00 0.00 C +ATOM 25 CA HIS A 25 240.263 253.498 244.596 1.00 0.00 C +ATOM 26 CA ARG A 26 238.678 255.124 241.536 1.00 0.00 C +ATOM 27 CA ASP A 27 239.394 257.695 238.817 1.00 0.00 C +ATOM 28 CA ASP A 28 238.013 260.407 236.525 1.00 0.00 C +ATOM 29 CA GLU A 29 238.072 263.926 237.984 1.00 0.00 C +ATOM 30 CA LEU A 30 241.265 265.513 239.325 1.00 0.00 C +ATOM 31 CA ARG A 31 244.118 266.140 241.771 1.00 0.00 C +ATOM 32 CA GLY A 32 243.643 265.992 245.548 1.00 0.00 C +ATOM 33 CA HIS A 33 246.227 265.290 248.259 1.00 0.00 C +ATOM 34 CA GLY A 34 249.831 265.911 247.191 1.00 0.00 C +ATOM 35 CA PRO A 35 251.190 269.467 247.342 1.00 0.00 C +TER 36 PRO A 35 +END diff --git a/Bacteria/Q0A794/Q0A794.dcd b/Bacteria/Q0A794/Q0A794.dcd new file mode 100644 index 0000000000000000000000000000000000000000..2f502646d6c91e9bf24e502ec692f89d908393c0 --- /dev/null +++ b/Bacteria/Q0A794/Q0A794.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:60120d3cae28b84973083eb2fd99905c64225981a3977c5d6a94d109e4a28277 +size 19520276 diff --git a/Bacteria/Q0A794/top.pdb b/Bacteria/Q0A794/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4c5af7780fb30ffaccbeb5f2076d64349c51061c --- /dev/null +++ b/Bacteria/Q0A794/top.pdb @@ -0,0 +1,160 @@ +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 1 248.814 264.922 240.764 1.00 0.00 C +ATOM 2 CA ASN A 2 252.324 264.419 242.157 1.00 0.00 C +ATOM 3 CA ASP A 3 254.558 267.502 242.019 1.00 0.00 C +ATOM 4 CA ARG A 4 258.144 268.058 240.858 1.00 0.00 C +ATOM 5 CA ALA A 5 260.783 268.506 238.146 1.00 0.00 C +ATOM 6 CA PRO A 6 262.391 269.103 234.744 1.00 0.00 C +ATOM 7 CA SER A 7 263.806 266.328 232.551 1.00 0.00 C +ATOM 8 CA ALA A 8 261.016 264.353 230.868 1.00 0.00 C +ATOM 9 CA PRO A 9 257.346 263.892 231.783 1.00 0.00 C +ATOM 10 CA ASP A 10 253.698 264.549 230.904 1.00 0.00 C +ATOM 11 CA GLY A 11 251.975 262.353 228.310 1.00 0.00 C +ATOM 12 CA GLY A 12 251.016 259.442 226.047 1.00 0.00 C +ATOM 13 CA VAL A 13 251.126 255.634 226.009 1.00 0.00 C +ATOM 14 CA GLY A 14 249.331 252.384 226.868 1.00 0.00 C +ATOM 15 CA ALA A 15 245.567 252.050 227.357 1.00 0.00 C +ATOM 16 CA ALA A 16 244.205 255.552 226.730 1.00 0.00 C +ATOM 17 CA THR A 17 244.314 257.540 223.481 1.00 0.00 C +ATOM 18 CA ALA A 18 242.703 257.181 220.048 1.00 0.00 C +ATOM 19 CA PRO A 19 241.139 253.713 219.834 1.00 0.00 C +ATOM 20 CA ARG A 20 239.061 250.903 218.316 1.00 0.00 C +ATOM 21 CA TYR A 21 237.651 251.100 214.783 1.00 0.00 C +ATOM 22 CA ARG A 22 237.912 253.281 211.669 1.00 0.00 C +ATOM 23 CA ASP A 23 241.239 254.205 210.057 1.00 0.00 C +ATOM 24 CA GLY A 24 243.873 255.383 212.545 1.00 0.00 C +ATOM 25 CA ARG A 25 247.487 255.949 213.609 1.00 0.00 C +ATOM 26 CA THR A 26 248.631 259.122 211.837 1.00 0.00 C +ATOM 27 CA LEU A 27 246.128 260.203 209.176 1.00 0.00 C +ATOM 28 CA SER A 28 244.457 263.602 208.762 1.00 0.00 C +ATOM 29 CA PRO A 29 240.955 264.954 208.106 1.00 0.00 C +ATOM 30 CA VAL A 30 237.456 263.646 208.854 1.00 0.00 C +ATOM 31 CA ILE A 31 237.394 259.933 209.707 1.00 0.00 C +ATOM 32 CA ALA A 32 235.309 258.067 207.122 1.00 0.00 C +ATOM 33 CA ARG A 33 233.409 254.766 207.006 1.00 0.00 C +ATOM 34 CA ALA A 34 230.998 254.280 209.916 1.00 0.00 C +ATOM 35 CA ASP A 35 227.660 253.376 211.514 1.00 0.00 C +ATOM 36 CA GLY A 36 224.548 251.242 210.987 1.00 0.00 C +ATOM 37 CA LEU A 37 221.137 252.816 211.624 1.00 0.00 C +ATOM 38 CA PRO A 38 220.119 256.467 211.240 1.00 0.00 C +ATOM 39 CA PRO A 39 218.693 259.983 210.890 1.00 0.00 C +ATOM 40 CA ARG A 40 217.647 260.990 214.412 1.00 0.00 C +ATOM 41 CA HIS A 41 220.907 262.023 216.091 1.00 0.00 C +ATOM 42 CA ARG A 42 224.541 262.037 214.944 1.00 0.00 C +ATOM 43 CA GLU A 43 227.791 263.445 213.540 1.00 0.00 C +ATOM 44 CA GLY A 44 231.482 264.184 212.953 1.00 0.00 C +ATOM 45 CA ARG A 45 232.457 267.734 213.936 1.00 0.00 C +ATOM 46 CA ARG A 46 235.770 267.652 215.815 1.00 0.00 C +ATOM 47 CA PRO A 47 239.363 267.127 216.970 1.00 0.00 C +ATOM 48 CA VAL A 48 242.148 265.714 214.787 1.00 0.00 C +ATOM 49 CA ALA A 49 245.955 265.712 214.654 1.00 0.00 C +ATOM 50 CA ILE A 50 249.325 265.784 216.430 1.00 0.00 C +ATOM 51 CA GLN A 51 251.670 264.293 219.037 1.00 0.00 C +ATOM 52 CA SER A 52 254.861 263.105 220.747 1.00 0.00 C +ATOM 53 CA GLY A 53 257.360 260.231 220.642 1.00 0.00 C +ATOM 54 CA ARG A 54 258.587 257.956 223.440 1.00 0.00 C +ATOM 55 CA LEU A 55 260.059 254.872 225.125 1.00 0.00 C +ATOM 56 CA PRO A 56 261.137 254.071 228.690 1.00 0.00 C +ATOM 57 CA ARG A 57 259.222 252.801 231.729 1.00 0.00 C +ATOM 58 CA ARG A 58 255.530 253.251 232.555 1.00 0.00 C +ATOM 59 CA PHE A 59 254.402 252.743 236.158 1.00 0.00 C +ATOM 60 CA ALA A 60 252.271 251.266 238.950 1.00 0.00 C +ATOM 61 CA PRO A 61 248.802 249.972 239.849 1.00 0.00 C +ATOM 62 CA ARG A 62 245.088 249.124 239.821 1.00 0.00 C +ATOM 63 CA SER A 63 241.519 247.867 239.371 1.00 0.00 C +ATOM 64 CA ASP A 64 238.817 247.592 236.700 1.00 0.00 C +ATOM 65 CA GLY A 65 237.479 251.094 236.016 1.00 0.00 C +ATOM 66 CA GLY A 66 238.362 254.116 233.871 1.00 0.00 C +ATOM 67 CA GLY A 67 241.641 255.762 234.897 1.00 0.00 C +ATOM 68 CA SER A 68 243.711 254.834 237.958 1.00 0.00 C +ATOM 69 CA PRO A 69 245.102 257.845 239.832 1.00 0.00 C +ATOM 70 CA VAL A 70 248.609 258.319 241.244 1.00 0.00 C +ATOM 71 CA ILE A 71 248.390 257.920 245.027 1.00 0.00 C +ATOM 72 CA ALA A 72 250.402 256.591 247.977 1.00 0.00 C +ATOM 73 CA ARG A 73 254.194 256.227 247.955 1.00 0.00 C +ATOM 74 CA SER A 74 255.284 253.181 245.942 1.00 0.00 C +ATOM 75 CA GLU A 75 254.221 249.591 245.236 1.00 0.00 C +ATOM 76 CA ALA A 76 251.810 246.832 244.190 1.00 0.00 C +ATOM 77 CA THR A 77 250.071 244.084 246.175 1.00 0.00 C +ATOM 78 CA ARG A 78 251.409 241.421 248.548 1.00 0.00 C +ATOM 79 CA LEU A 79 253.101 238.429 250.191 1.00 0.00 C +ATOM 80 CA SER A 80 253.348 236.869 253.658 1.00 0.00 C +ATOM 81 CA THR A 81 256.957 236.657 254.860 1.00 0.00 C +ATOM 82 CA PRO A 82 260.376 238.130 255.673 1.00 0.00 C +ATOM 83 CA ARG A 83 263.502 236.175 254.712 1.00 0.00 C +ATOM 84 CA HIS A 84 267.117 235.046 254.298 1.00 0.00 C +ATOM 85 CA GLY A 85 268.000 232.691 257.160 1.00 0.00 C +ATOM 86 CA LEU A 86 269.311 233.874 260.536 1.00 0.00 C +ATOM 87 CA PRO A 87 270.774 237.392 260.489 1.00 0.00 C +ATOM 88 CA ARG A 88 272.078 238.005 256.962 1.00 0.00 C +ATOM 89 CA PRO A 89 275.247 236.728 255.276 1.00 0.00 C +ATOM 90 CA CYS A 90 277.309 236.727 252.073 1.00 0.00 C +ATOM 91 CA GLY A 91 278.592 233.237 251.243 1.00 0.00 C +ATOM 92 CA ALA A 92 282.253 232.413 250.588 1.00 0.00 C +ATOM 93 CA PRO A 93 285.093 231.000 252.699 1.00 0.00 C +ATOM 94 CA SER A 94 287.548 233.849 253.306 1.00 0.00 C +ATOM 95 CA ASP A 95 289.750 236.945 253.595 1.00 0.00 C +ATOM 96 CA GLY A 96 287.460 239.928 254.209 1.00 0.00 C +ATOM 97 CA GLY A 97 283.736 240.727 254.286 1.00 0.00 C +ATOM 98 CA GLY A 98 282.846 243.756 256.418 1.00 0.00 C +ATOM 99 CA SER A 99 284.777 246.922 257.293 1.00 0.00 C +ATOM 100 CA PRO A 100 286.009 248.969 254.326 1.00 0.00 C +ATOM 101 CA ARG A 101 285.856 251.990 252.009 1.00 0.00 C +ATOM 102 CA HIS A 102 284.199 255.316 252.849 1.00 0.00 C +ATOM 103 CA ARG A 103 281.035 255.008 254.948 1.00 0.00 C +ATOM 104 CA GLU A 104 281.894 256.050 258.510 1.00 0.00 C +ATOM 105 CA GLU A 105 285.179 256.366 260.414 1.00 0.00 C +ATOM 106 CA ARG A 106 286.757 257.157 263.791 1.00 0.00 C +ATOM 107 CA SER A 107 289.027 254.765 265.698 1.00 0.00 C +ATOM 108 CA ASP A 108 291.216 251.692 266.235 1.00 0.00 C +ATOM 109 CA ALA A 109 288.990 249.253 268.136 1.00 0.00 C +ATOM 110 CA ALA A 110 287.482 247.714 271.278 1.00 0.00 C +ATOM 111 CA ILE A 111 284.081 248.415 272.848 1.00 0.00 C +ATOM 112 CA HIS A 112 282.558 247.338 276.170 1.00 0.00 C +ATOM 113 CA THR A 113 281.584 243.657 276.037 1.00 0.00 C +ATOM 114 CA PRO A 114 279.309 240.626 275.649 1.00 0.00 C +ATOM 115 CA PRO A 115 277.007 240.452 278.681 1.00 0.00 C +ATOM 116 CA GLY A 116 274.484 237.923 280.003 1.00 0.00 C +ATOM 117 CA LEU A 117 273.004 236.338 283.136 1.00 0.00 C +ATOM 118 CA PRO A 118 270.094 234.116 282.083 1.00 0.00 C +ATOM 119 CA ARG A 119 269.915 230.976 279.932 1.00 0.00 C +ATOM 120 CA PRO A 120 266.945 228.673 280.559 1.00 0.00 C +ATOM 121 CA CYS A 121 263.862 230.345 282.048 1.00 0.00 C +ATOM 122 CA GLY A 122 264.426 231.452 285.649 1.00 0.00 C +ATOM 123 CA ALA A 123 261.975 233.357 287.857 1.00 0.00 C +ATOM 124 CA PRO A 124 260.750 231.883 291.150 1.00 0.00 C +ATOM 125 CA SER A 125 257.767 229.516 291.281 1.00 0.00 C +ATOM 126 CA ASP A 126 254.907 227.231 292.334 1.00 0.00 C +ATOM 127 CA GLY A 127 251.723 227.469 290.254 1.00 0.00 C +ATOM 128 CA GLY A 128 248.680 227.259 287.971 1.00 0.00 C +ATOM 129 CA GLY A 129 245.868 229.666 288.873 1.00 0.00 C +ATOM 130 CA SER A 130 242.155 229.215 289.604 1.00 0.00 C +ATOM 131 CA PRO A 131 238.564 228.393 290.576 1.00 0.00 C +ATOM 132 CA ARG A 132 236.403 231.522 290.332 1.00 0.00 C +ATOM 133 CA HIS A 133 233.158 233.474 289.918 1.00 0.00 C +ATOM 134 CA ARG A 134 230.764 234.956 292.485 1.00 0.00 C +ATOM 135 CA GLU A 135 227.942 235.550 294.974 1.00 0.00 C +ATOM 136 CA GLU A 136 225.238 234.007 297.170 1.00 0.00 C +ATOM 137 CA ARG A 137 221.494 234.063 297.875 1.00 0.00 C +ATOM 138 CA SER A 138 217.704 233.686 297.961 1.00 0.00 C +ATOM 139 CA ASP A 139 216.368 233.244 294.420 1.00 0.00 C +ATOM 140 CA ALA A 140 218.669 233.698 291.418 1.00 0.00 C +ATOM 141 CA ALA A 141 221.205 234.926 288.853 1.00 0.00 C +ATOM 142 CA ILE A 142 219.834 238.006 287.079 1.00 0.00 C +ATOM 143 CA HIS A 143 219.402 241.456 288.636 1.00 0.00 C +ATOM 144 CA THR A 144 221.487 244.637 288.860 1.00 0.00 C +ATOM 145 CA PRO A 145 220.386 247.288 286.354 1.00 0.00 C +ATOM 146 CA PRO A 146 219.774 250.481 284.368 1.00 0.00 C +ATOM 147 CA TRP A 147 216.495 252.395 284.684 1.00 0.00 C +ATOM 148 CA THR A 148 215.781 256.067 283.961 1.00 0.00 C +ATOM 149 CA ALA A 149 214.187 258.922 282.006 1.00 0.00 C +ATOM 150 CA THR A 150 211.262 261.346 282.295 1.00 0.00 C +ATOM 151 CA PRO A 151 211.507 263.578 285.373 1.00 0.00 C +ATOM 152 CA LEU A 152 208.685 266.103 285.797 1.00 0.00 C +ATOM 153 CA ARG A 153 207.931 269.789 285.199 1.00 0.00 C +ATOM 154 CA GLY A 154 210.516 272.526 284.617 1.00 0.00 C +ATOM 155 CA SER A 155 210.051 275.785 286.535 1.00 0.00 C +ATOM 156 CA GLN A 156 211.511 278.298 288.999 1.00 0.00 C +TER 157 GLN A 156 +END diff --git a/Bacteria/Q0A7T6/Q0A7T6.dcd b/Bacteria/Q0A7T6/Q0A7T6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..87916272ea55eada04642d08daebc6de505dbba8 --- /dev/null +++ b/Bacteria/Q0A7T6/Q0A7T6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:70925ebafe0cbde7b2a84ea8a659ae50cf543f0eb7bd2d96d18671168d320183 +size 85600276 diff --git a/Bacteria/Q0A7T6/top.pdb b/Bacteria/Q0A7T6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..dd05f3d2710eb65f858165f980656b3517ff20e1 --- /dev/null +++ b/Bacteria/Q0A7T6/top.pdb @@ -0,0 +1,354 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01 +CRYST1 900.000 900.000 900.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 453.624 525.716 474.637 1.00 0.00 C +ATOM 2 CA ARG A 2 453.213 525.288 470.874 1.00 0.00 C +ATOM 3 CA PHE A 3 453.453 527.995 468.204 1.00 0.00 C +ATOM 4 CA LEU A 4 453.361 528.655 464.452 1.00 0.00 C +ATOM 5 CA HIS A 5 455.112 525.994 462.361 1.00 0.00 C +ATOM 6 CA ASP A 6 455.542 522.249 462.910 1.00 0.00 C +ATOM 7 CA VAL A 7 453.564 520.734 465.793 1.00 0.00 C +ATOM 8 CA LEU A 8 450.703 518.897 464.074 1.00 0.00 C +ATOM 9 CA ARG A 9 451.013 515.692 462.037 1.00 0.00 C +ATOM 10 CA ASP A 10 453.747 516.170 459.427 1.00 0.00 C +ATOM 11 CA ALA A 11 452.512 518.109 456.389 1.00 0.00 C +ATOM 12 CA ARG A 12 454.120 519.111 453.084 1.00 0.00 C +ATOM 13 CA ARG A 13 452.324 518.767 449.741 1.00 0.00 C +ATOM 14 CA PRO A 14 449.263 517.304 448.008 1.00 0.00 C +ATOM 15 CA LEU A 15 446.714 519.987 447.101 1.00 0.00 C +ATOM 16 CA ARG A 16 443.953 522.578 446.682 1.00 0.00 C +ATOM 17 CA PRO A 17 440.472 521.852 448.051 1.00 0.00 C +ATOM 18 CA GLY A 18 438.934 518.366 448.046 1.00 0.00 C +ATOM 19 CA GLY A 19 436.395 517.981 445.232 1.00 0.00 C +ATOM 20 CA THR A 20 432.876 519.406 444.903 1.00 0.00 C +ATOM 21 CA THR A 21 430.613 521.287 442.483 1.00 0.00 C +ATOM 22 CA LEU A 22 427.901 522.391 440.045 1.00 0.00 C +ATOM 23 CA TRP A 23 425.647 522.914 437.019 1.00 0.00 C +ATOM 24 CA ARG A 24 423.438 521.641 434.188 1.00 0.00 C +ATOM 25 CA SER A 25 425.382 521.481 430.915 1.00 0.00 C +ATOM 26 CA PRO A 26 429.011 522.277 430.069 1.00 0.00 C +ATOM 27 CA ALA A 27 430.383 522.123 426.518 1.00 0.00 C +ATOM 28 CA GLY A 28 434.158 522.628 426.635 1.00 0.00 C +ATOM 29 CA GLU A 29 436.454 519.828 425.450 1.00 0.00 C +ATOM 30 CA ALA A 30 439.368 517.733 424.169 1.00 0.00 C +ATOM 31 CA GLU A 31 441.867 517.619 427.043 1.00 0.00 C +ATOM 32 CA PRO A 32 442.817 520.142 429.735 1.00 0.00 C +ATOM 33 CA ASP A 33 440.544 521.891 432.243 1.00 0.00 C +ATOM 34 CA GLU A 34 437.752 520.812 434.600 1.00 0.00 C +ATOM 35 CA SER A 35 433.974 520.646 435.065 1.00 0.00 C +ATOM 36 CA PRO A 36 432.711 517.966 437.460 1.00 0.00 C +ATOM 37 CA ALA A 37 431.000 515.375 439.667 1.00 0.00 C +ATOM 38 CA PRO A 38 427.727 516.049 441.498 1.00 0.00 C +ATOM 39 CA PRO A 39 425.905 512.983 442.838 1.00 0.00 C +ATOM 40 CA PRO A 40 428.292 510.526 444.506 1.00 0.00 C +ATOM 41 CA GLU A 41 429.573 510.811 448.083 1.00 0.00 C +ATOM 42 CA GLU A 42 432.453 511.736 450.399 1.00 0.00 C +ATOM 43 CA ASP A 43 433.696 511.102 453.945 1.00 0.00 C +ATOM 44 CA GLU A 44 433.798 509.059 457.160 1.00 0.00 C +ATOM 45 CA ASP A 45 435.787 510.847 459.873 1.00 0.00 C +ATOM 46 CA GLY A 46 439.580 510.569 460.097 1.00 0.00 C +ATOM 47 CA ALA A 47 441.027 507.778 457.945 1.00 0.00 C +ATOM 48 CA ALA A 48 442.399 508.441 454.454 1.00 0.00 C +ATOM 49 CA THR A 49 444.613 506.037 452.496 1.00 0.00 C +ATOM 50 CA VAL A 50 445.864 503.708 449.752 1.00 0.00 C +ATOM 51 CA TYR A 51 442.721 502.654 447.875 1.00 0.00 C +ATOM 52 CA ARG A 52 439.163 503.064 449.175 1.00 0.00 C +ATOM 53 CA PHE A 53 437.582 506.265 447.845 1.00 0.00 C +ATOM 54 CA GLN A 54 438.250 509.670 449.418 1.00 0.00 C +ATOM 55 CA LYS A 55 438.261 512.075 446.463 1.00 0.00 C +ATOM 56 CA ALA A 56 441.356 512.839 444.376 1.00 0.00 C +ATOM 57 CA GLY A 57 444.488 511.073 443.116 1.00 0.00 C +ATOM 58 CA GLU A 58 447.278 508.722 442.019 1.00 0.00 C +ATOM 59 CA GLY A 59 446.853 504.944 442.271 1.00 0.00 C +ATOM 60 CA ARG A 60 443.503 503.472 441.212 1.00 0.00 C +ATOM 61 CA PRO A 61 440.502 501.315 440.287 1.00 0.00 C +ATOM 62 CA PRO A 62 437.510 503.585 440.928 1.00 0.00 C +ATOM 63 CA GLN A 63 433.809 503.954 441.756 1.00 0.00 C +ATOM 64 CA VAL A 64 431.386 504.948 444.523 1.00 0.00 C +ATOM 65 CA SER A 65 428.621 503.694 446.825 1.00 0.00 C +ATOM 66 CA GLU A 66 428.583 499.889 446.634 1.00 0.00 C +ATOM 67 CA ARG A 67 427.829 496.996 448.995 1.00 0.00 C +ATOM 68 CA GLY A 68 427.898 493.431 450.339 1.00 0.00 C +ATOM 69 CA LYS A 69 425.680 490.340 450.544 1.00 0.00 C +ATOM 70 CA PRO A 70 422.942 490.415 447.895 1.00 0.00 C +ATOM 71 CA ALA A 71 420.111 492.560 446.515 1.00 0.00 C +ATOM 72 CA GLY A 72 416.663 494.167 446.306 1.00 0.00 C +ATOM 73 CA ARG A 73 414.463 492.998 443.423 1.00 0.00 C +ATOM 74 CA ALA A 74 411.246 491.284 444.532 1.00 0.00 C +ATOM 75 CA PRO A 75 409.333 492.838 447.437 1.00 0.00 C +ATOM 76 CA SER A 76 406.040 494.601 448.188 1.00 0.00 C +ATOM 77 CA GLY A 77 402.434 495.756 447.764 1.00 0.00 C +ATOM 78 CA ASN A 78 399.094 494.593 449.182 1.00 0.00 C +ATOM 79 CA THR A 79 399.278 490.790 449.317 1.00 0.00 C +ATOM 80 CA ALA A 80 401.689 487.840 449.271 1.00 0.00 C +ATOM 81 CA LEU A 81 404.845 487.729 451.403 1.00 0.00 C +ATOM 82 CA PRO A 82 404.957 490.351 454.165 1.00 0.00 C +ATOM 83 CA LEU A 83 403.903 492.748 456.933 1.00 0.00 C +ATOM 84 CA PRO A 84 403.660 492.001 460.661 1.00 0.00 C +ATOM 85 CA GLY A 85 400.979 490.289 462.759 1.00 0.00 C +ATOM 86 CA ALA A 86 399.446 488.055 465.437 1.00 0.00 C +ATOM 87 CA ARG A 87 397.542 485.395 463.482 1.00 0.00 C +ATOM 88 CA HIS A 88 398.412 481.691 463.288 1.00 0.00 C +ATOM 89 CA ARG A 89 399.879 480.585 466.626 1.00 0.00 C +ATOM 90 CA ALA A 90 402.677 478.047 467.116 1.00 0.00 C +ATOM 91 CA GLU A 91 406.305 477.921 465.958 1.00 0.00 C +ATOM 92 CA ALA A 92 409.279 477.202 463.688 1.00 0.00 C +ATOM 93 CA GLY A 93 412.166 479.684 463.556 1.00 0.00 C +ATOM 94 CA PRO A 94 414.020 483.005 463.333 1.00 0.00 C +ATOM 95 CA PRO A 95 414.586 486.220 461.369 1.00 0.00 C +ATOM 96 CA VAL A 96 416.330 489.137 459.646 1.00 0.00 C +ATOM 97 CA ALA A 97 418.293 491.564 457.461 1.00 0.00 C +ATOM 98 CA GLY A 98 420.271 489.598 454.864 1.00 0.00 C +ATOM 99 CA GLU A 99 423.228 487.378 455.782 1.00 0.00 C +ATOM 100 CA GLN A 100 423.509 486.868 459.547 1.00 0.00 C +ATOM 101 CA TYR A 101 422.651 485.255 462.891 1.00 0.00 C +ATOM 102 CA VAL A 102 421.376 481.668 462.725 1.00 0.00 C +ATOM 103 CA GLU A 103 421.576 479.248 465.661 1.00 0.00 C +ATOM 104 CA ARG A 104 421.497 475.692 464.294 1.00 0.00 C +ATOM 105 CA ARG A 105 421.529 473.656 461.074 1.00 0.00 C +ATOM 106 CA THR A 106 422.631 470.042 460.587 1.00 0.00 C +ATOM 107 CA THR A 107 425.693 469.584 462.807 1.00 0.00 C +ATOM 108 CA VAL A 108 424.664 470.112 466.437 1.00 0.00 C +ATOM 109 CA ASN A 109 426.899 468.011 468.697 1.00 0.00 C +ATOM 110 CA GLY A 110 430.703 467.950 468.908 1.00 0.00 C +ATOM 111 CA LYS A 111 433.516 467.093 466.485 1.00 0.00 C +ATOM 112 CA THR A 112 436.437 465.080 467.873 1.00 0.00 C +ATOM 113 CA GLY A 113 437.230 461.371 468.237 1.00 0.00 C +ATOM 114 CA SER A 114 436.348 459.219 465.219 1.00 0.00 C +ATOM 115 CA MET A 115 436.092 455.583 466.330 1.00 0.00 C +ATOM 116 CA ASN A 116 439.273 453.526 466.733 1.00 0.00 C +ATOM 117 CA LYS A 117 439.465 452.398 470.368 1.00 0.00 C +ATOM 118 CA PRO A 118 436.559 453.117 472.725 1.00 0.00 C +ATOM 119 CA ALA A 119 434.365 452.841 475.827 1.00 0.00 C +ATOM 120 CA THR A 120 432.342 449.637 476.221 1.00 0.00 C +ATOM 121 CA ALA A 121 433.557 447.866 479.368 1.00 0.00 C +ATOM 122 CA VAL A 122 434.984 448.602 482.823 1.00 0.00 C +ATOM 123 CA ARG A 123 435.304 448.879 486.610 1.00 0.00 C +ATOM 124 CA ASP A 124 432.764 449.095 489.441 1.00 0.00 C +ATOM 125 CA ARG A 125 432.375 452.737 490.489 1.00 0.00 C +ATOM 126 CA ASN A 126 434.599 455.729 491.277 1.00 0.00 C +ATOM 127 CA GLY A 127 437.605 457.113 493.166 1.00 0.00 C +ATOM 128 CA ILE A 128 436.687 458.471 496.605 1.00 0.00 C +ATOM 129 CA ALA A 129 437.524 459.737 500.100 1.00 0.00 C +ATOM 130 CA GLY A 130 440.294 458.742 502.520 1.00 0.00 C +ATOM 131 CA GLU A 131 442.819 455.942 501.968 1.00 0.00 C +ATOM 132 CA ARG A 132 445.064 453.437 500.180 1.00 0.00 C +ATOM 133 CA GLY A 133 445.743 449.864 499.044 1.00 0.00 C +ATOM 134 CA SER A 134 444.575 446.242 498.855 1.00 0.00 C +ATOM 135 CA VAL A 135 447.749 444.219 499.443 1.00 0.00 C +ATOM 136 CA ASP A 136 450.636 442.821 501.499 1.00 0.00 C +ATOM 137 CA ARG A 137 454.251 443.258 500.380 1.00 0.00 C +ATOM 138 CA SER A 138 454.459 446.022 497.766 1.00 0.00 C +ATOM 139 CA ALA A 139 457.270 446.233 495.202 1.00 0.00 C +ATOM 140 CA THR A 140 456.126 445.834 491.590 1.00 0.00 C +ATOM 141 CA VAL A 141 452.528 445.390 490.417 1.00 0.00 C +ATOM 142 CA ASP A 142 450.240 443.380 488.129 1.00 0.00 C +ATOM 143 CA ASP A 143 448.762 439.897 487.684 1.00 0.00 C +ATOM 144 CA ASN A 144 449.727 437.602 484.799 1.00 0.00 C +ATOM 145 CA ALA A 145 451.868 435.804 482.211 1.00 0.00 C +ATOM 146 CA ARG A 146 455.584 436.057 483.010 1.00 0.00 C +ATOM 147 CA SER A 147 455.887 438.627 485.806 1.00 0.00 C +ATOM 148 CA VAL A 148 455.510 442.214 484.578 1.00 0.00 C +ATOM 149 CA ASP A 149 457.022 444.767 482.188 1.00 0.00 C +ATOM 150 CA VAL A 150 460.498 446.023 483.114 1.00 0.00 C +ATOM 151 CA HIS A 151 462.034 447.507 479.959 1.00 0.00 C +ATOM 152 CA SER A 152 459.572 448.886 477.399 1.00 0.00 C +ATOM 153 CA ALA A 153 456.238 448.136 475.714 1.00 0.00 C +ATOM 154 CA SER A 154 456.254 445.766 472.731 1.00 0.00 C +ATOM 155 CA THR A 155 453.195 444.528 470.827 1.00 0.00 C +ATOM 156 CA THR A 156 452.737 445.908 467.305 1.00 0.00 C +ATOM 157 CA LEU A 157 452.694 443.307 464.521 1.00 0.00 C +ATOM 158 CA GLU A 158 453.394 440.056 462.662 1.00 0.00 C +ATOM 159 CA LYS A 159 455.050 440.104 459.231 1.00 0.00 C +ATOM 160 CA GLU A 160 458.839 440.420 458.998 1.00 0.00 C +ATOM 161 CA ARG A 161 460.466 443.635 457.759 1.00 0.00 C +ATOM 162 CA LEU A 162 462.962 446.465 457.233 1.00 0.00 C +ATOM 163 CA SER A 163 466.409 446.741 458.833 1.00 0.00 C +ATOM 164 CA VAL A 164 469.169 447.201 456.247 1.00 0.00 C +ATOM 165 CA LYS A 165 472.358 447.732 458.263 1.00 0.00 C +ATOM 166 CA ALA A 166 472.792 444.741 460.583 1.00 0.00 C +ATOM 167 CA GLU A 167 471.936 441.047 460.950 1.00 0.00 C +ATOM 168 CA VAL A 168 473.597 438.072 459.247 1.00 0.00 C +ATOM 169 CA THR A 169 476.481 436.233 457.568 1.00 0.00 C +ATOM 170 CA GLU A 170 477.463 435.674 453.929 1.00 0.00 C +ATOM 171 CA THR A 171 474.542 434.774 451.655 1.00 0.00 C +ATOM 172 CA GLY A 172 474.017 432.986 448.332 1.00 0.00 C +ATOM 173 CA ASN A 173 474.086 432.993 444.522 1.00 0.00 C +ATOM 174 CA GLU A 174 473.652 430.675 441.531 1.00 0.00 C +ATOM 175 CA LYS A 175 474.292 428.861 438.242 1.00 0.00 C +ATOM 176 CA GLU A 176 475.662 425.312 438.458 1.00 0.00 C +ATOM 177 CA SER A 177 474.296 422.484 440.613 1.00 0.00 C +ATOM 178 CA PRO A 178 473.543 418.802 441.241 1.00 0.00 C +ATOM 179 CA SER A 179 475.086 416.076 443.410 1.00 0.00 C +ATOM 180 CA THR A 180 474.792 413.130 445.808 1.00 0.00 C +ATOM 181 CA ALA A 181 472.535 410.792 447.796 1.00 0.00 C +ATOM 182 CA ARG A 182 474.964 408.496 449.625 1.00 0.00 C +ATOM 183 CA ARG A 183 478.149 406.522 448.937 1.00 0.00 C +ATOM 184 CA LEU A 184 481.727 407.777 449.313 1.00 0.00 C +ATOM 185 CA GLU A 185 484.699 409.366 451.091 1.00 0.00 C +ATOM 186 CA THR A 186 487.497 406.802 451.429 1.00 0.00 C +ATOM 187 CA ALA A 187 488.836 406.390 447.886 1.00 0.00 C +ATOM 188 CA ASP A 188 487.781 403.152 446.176 1.00 0.00 C +ATOM 189 CA SER A 189 485.395 400.345 445.206 1.00 0.00 C +ATOM 190 CA ASN A 190 482.951 398.853 442.692 1.00 0.00 C +ATOM 191 CA ALA A 191 479.537 397.503 441.677 1.00 0.00 C +ATOM 192 CA SER A 192 475.951 397.411 440.390 1.00 0.00 C +ATOM 193 CA VAL A 193 475.108 394.072 438.761 1.00 0.00 C +ATOM 194 CA SER A 194 476.399 390.812 440.251 1.00 0.00 C +ATOM 195 CA LYS A 195 474.091 387.788 440.457 1.00 0.00 C +ATOM 196 CA ARG A 196 470.770 385.944 440.756 1.00 0.00 C +ATOM 197 CA SER A 197 468.654 386.583 443.860 1.00 0.00 C +ATOM 198 CA THR A 198 466.702 388.794 446.271 1.00 0.00 C +ATOM 199 CA ARG A 199 466.697 392.592 445.960 1.00 0.00 C +ATOM 200 CA GLY A 200 465.338 395.271 443.617 1.00 0.00 C +ATOM 201 CA ASN A 201 463.488 393.406 440.857 1.00 0.00 C +ATOM 202 CA PRO A 202 461.565 395.995 438.829 1.00 0.00 C +ATOM 203 CA GLY A 203 462.708 398.595 436.289 1.00 0.00 C +ATOM 204 CA ALA A 204 465.163 398.314 433.389 1.00 0.00 C +ATOM 205 CA ASP A 205 468.043 400.807 433.341 1.00 0.00 C +ATOM 206 CA THR A 206 467.685 404.581 432.963 1.00 0.00 C +ATOM 207 CA PRO A 207 469.785 407.734 432.553 1.00 0.00 C +ATOM 208 CA SER A 208 467.776 410.454 434.309 1.00 0.00 C +ATOM 209 CA GLU A 209 465.943 413.110 432.283 1.00 0.00 C +ATOM 210 CA PRO A 210 465.799 414.040 428.591 1.00 0.00 C +ATOM 211 CA TYR A 211 465.604 417.355 426.722 1.00 0.00 C +ATOM 212 CA THR A 212 467.964 419.914 428.270 1.00 0.00 C +ATOM 213 CA ARG A 213 470.033 418.925 431.312 1.00 0.00 C +ATOM 214 CA PRO A 214 472.871 416.672 430.135 1.00 0.00 C +ATOM 215 CA ARG A 215 474.831 414.566 427.637 1.00 0.00 C +ATOM 216 CA ARG A 216 474.189 413.224 424.130 1.00 0.00 C +ATOM 217 CA GLY A 217 470.776 414.594 423.133 1.00 0.00 C +ATOM 218 CA THR A 218 469.507 417.564 421.112 1.00 0.00 C +ATOM 219 CA GLY A 219 470.546 419.757 418.175 1.00 0.00 C +ATOM 220 CA ALA A 220 473.137 419.780 415.381 1.00 0.00 C +ATOM 221 CA PRO A 221 475.119 416.956 413.765 1.00 0.00 C +ATOM 222 CA PRO A 222 478.834 417.126 414.596 1.00 0.00 C +ATOM 223 CA SER A 223 480.788 419.316 417.025 1.00 0.00 C +ATOM 224 CA GLY A 224 478.753 422.292 418.257 1.00 0.00 C +ATOM 225 CA VAL A 225 479.982 425.863 417.754 1.00 0.00 C +ATOM 226 CA ASP A 226 478.374 427.784 414.884 1.00 0.00 C +ATOM 227 CA ARG A 227 479.638 427.988 411.296 1.00 0.00 C +ATOM 228 CA THR A 228 478.701 431.096 409.301 1.00 0.00 C +ATOM 229 CA ASP A 229 479.015 434.758 410.307 1.00 0.00 C +ATOM 230 CA PRO A 230 475.450 435.964 410.895 1.00 0.00 C +ATOM 231 CA PRO A 231 472.450 438.150 410.034 1.00 0.00 C +ATOM 232 CA GLU A 232 471.265 441.740 410.504 1.00 0.00 C +ATOM 233 CA ALA A 233 469.268 443.756 407.961 1.00 0.00 C +ATOM 234 CA PRO A 234 465.911 444.935 409.323 1.00 0.00 C +ATOM 235 CA ALA A 235 465.275 448.690 409.438 1.00 0.00 C +ATOM 236 CA THR A 236 466.596 450.828 412.301 1.00 0.00 C +ATOM 237 CA GLU A 237 464.958 451.648 415.642 1.00 0.00 C +ATOM 238 CA GLY A 238 465.537 454.140 418.465 1.00 0.00 C +ATOM 239 CA PHE A 239 465.308 454.579 422.243 1.00 0.00 C +ATOM 240 CA PRO A 240 465.455 458.043 423.821 1.00 0.00 C +ATOM 241 CA ALA A 241 465.490 458.367 427.617 1.00 0.00 C +ATOM 242 CA SER A 242 466.420 455.165 429.462 1.00 0.00 C +ATOM 243 CA GLY A 243 467.275 451.570 428.534 1.00 0.00 C +ATOM 244 CA PRO A 244 468.858 449.299 431.152 1.00 0.00 C +ATOM 245 CA ALA A 245 471.843 447.007 431.741 1.00 0.00 C +ATOM 246 CA PRO A 246 471.839 444.000 434.081 1.00 0.00 C +ATOM 247 CA VAL A 247 470.123 442.601 437.182 1.00 0.00 C +ATOM 248 CA GLY A 248 468.113 445.077 439.267 1.00 0.00 C +ATOM 249 CA ALA A 249 467.570 448.711 440.274 1.00 0.00 C +ATOM 250 CA PRO A 250 465.445 451.810 440.905 1.00 0.00 C +ATOM 251 CA SER A 251 462.649 450.646 443.218 1.00 0.00 C +ATOM 252 CA THR A 252 459.194 449.872 444.624 1.00 0.00 C +ATOM 253 CA GLY A 253 458.464 448.761 448.195 1.00 0.00 C +ATOM 254 CA GLY A 254 455.631 446.230 447.893 1.00 0.00 C +ATOM 255 CA PHE A 255 456.587 442.659 446.974 1.00 0.00 C +ATOM 256 CA THR A 256 456.627 439.673 449.340 1.00 0.00 C +ATOM 257 CA ALA A 257 456.826 435.934 448.634 1.00 0.00 C +ATOM 258 CA THR A 258 454.679 433.605 450.751 1.00 0.00 C +ATOM 259 CA ALA A 259 451.057 434.199 449.729 1.00 0.00 C +ATOM 260 CA ASP A 260 447.439 433.033 449.985 1.00 0.00 C +ATOM 261 CA ARG A 261 445.115 430.598 451.768 1.00 0.00 C +ATOM 262 CA PRO A 262 441.681 429.052 452.347 1.00 0.00 C +ATOM 263 CA GLU A 263 438.507 429.672 450.332 1.00 0.00 C +ATOM 264 CA PRO A 264 436.377 426.596 449.616 1.00 0.00 C +ATOM 265 CA ALA A 265 434.247 423.516 448.912 1.00 0.00 C +ATOM 266 CA ALA A 266 436.151 420.713 447.171 1.00 0.00 C +ATOM 267 CA ALA A 267 435.685 417.818 444.738 1.00 0.00 C +ATOM 268 CA PRO A 268 433.792 414.731 445.923 1.00 0.00 C +ATOM 269 CA GLU A 269 433.825 414.979 449.724 1.00 0.00 C +ATOM 270 CA PRO A 270 431.188 416.618 451.932 1.00 0.00 C +ATOM 271 CA VAL A 271 432.681 419.147 454.360 1.00 0.00 C +ATOM 272 CA GLU A 272 433.918 420.679 457.622 1.00 0.00 C +ATOM 273 CA ALA A 273 435.078 417.689 459.678 1.00 0.00 C +ATOM 274 CA VAL A 274 437.059 414.560 460.574 1.00 0.00 C +ATOM 275 CA THR A 275 436.527 411.150 458.959 1.00 0.00 C +ATOM 276 CA ARG A 276 432.882 410.865 457.886 1.00 0.00 C +ATOM 277 CA ALA A 277 431.149 407.532 458.524 1.00 0.00 C +ATOM 278 CA GLU A 278 427.533 407.015 459.607 1.00 0.00 C +ATOM 279 CA PRO A 279 423.901 406.474 460.624 1.00 0.00 C +ATOM 280 CA SER A 280 422.228 404.945 457.562 1.00 0.00 C +ATOM 281 CA GLY A 281 421.389 401.249 457.955 1.00 0.00 C +ATOM 282 CA ASP A 282 419.489 399.212 455.356 1.00 0.00 C +ATOM 283 CA PRO A 283 419.717 398.235 451.681 1.00 0.00 C +ATOM 284 CA SER A 284 420.386 398.361 447.932 1.00 0.00 C +ATOM 285 CA GLY A 285 418.663 396.363 445.183 1.00 0.00 C +ATOM 286 CA ASP A 286 416.122 394.305 443.228 1.00 0.00 C +ATOM 287 CA GLY A 287 414.131 395.054 440.067 1.00 0.00 C +ATOM 288 CA ALA A 288 416.411 397.190 437.886 1.00 0.00 C +ATOM 289 CA ALA A 289 420.193 397.296 437.435 1.00 0.00 C +ATOM 290 CA PHE A 290 423.504 398.428 435.930 1.00 0.00 C +ATOM 291 CA HIS A 291 425.902 399.800 433.306 1.00 0.00 C +ATOM 292 CA ALA A 292 429.551 399.188 432.398 1.00 0.00 C +ATOM 293 CA GLY A 293 431.224 402.564 432.964 1.00 0.00 C +ATOM 294 CA PRO A 294 433.867 403.325 435.600 1.00 0.00 C +ATOM 295 CA ALA A 295 437.579 403.965 436.169 1.00 0.00 C +ATOM 296 CA PRO A 296 440.478 401.733 437.232 1.00 0.00 C +ATOM 297 CA GLU A 297 442.091 399.667 434.467 1.00 0.00 C +ATOM 298 CA PRO A 298 444.997 399.192 432.049 1.00 0.00 C +ATOM 299 CA GLY A 299 444.235 397.343 428.806 1.00 0.00 C +ATOM 300 CA PRO A 300 443.022 400.083 426.453 1.00 0.00 C +ATOM 301 CA GLU A 301 445.734 400.640 423.836 1.00 0.00 C +ATOM 302 CA SER A 302 449.109 401.960 422.658 1.00 0.00 C +ATOM 303 CA THR A 303 449.687 405.062 424.793 1.00 0.00 C +ATOM 304 CA HIS A 304 451.297 408.366 423.788 1.00 0.00 C +ATOM 305 CA ALA A 305 453.727 408.128 420.862 1.00 0.00 C +ATOM 306 CA ALA A 306 457.100 409.397 419.628 1.00 0.00 C +ATOM 307 CA ARG A 307 459.372 410.144 422.594 1.00 0.00 C +ATOM 308 CA SER A 308 462.670 409.554 424.408 1.00 0.00 C +ATOM 309 CA THR A 309 462.727 408.716 428.124 1.00 0.00 C +ATOM 310 CA PRO A 310 462.531 405.039 429.103 1.00 0.00 C +ATOM 311 CA GLN A 311 460.631 404.317 432.326 1.00 0.00 C +ATOM 312 CA VAL A 312 458.717 406.701 434.598 1.00 0.00 C +ATOM 313 CA ARG A 313 456.759 408.679 437.201 1.00 0.00 C +ATOM 314 CA ILE A 314 458.065 410.579 440.234 1.00 0.00 C +ATOM 315 CA GLY A 315 461.351 412.297 439.359 1.00 0.00 C +ATOM 316 CA GLN A 316 464.098 414.907 439.752 1.00 0.00 C +ATOM 317 CA VAL A 317 467.425 413.871 441.291 1.00 0.00 C +ATOM 318 CA GLU A 318 467.891 413.667 445.067 1.00 0.00 C +ATOM 319 CA VAL A 319 467.223 416.970 446.844 1.00 0.00 C +ATOM 320 CA VAL A 320 465.187 418.074 449.869 1.00 0.00 C +ATOM 321 CA VAL A 321 467.589 419.476 452.473 1.00 0.00 C +ATOM 322 CA VAL A 322 465.371 420.291 455.462 1.00 0.00 C +ATOM 323 CA ASN A 323 465.786 423.640 457.231 1.00 0.00 C +ATOM 324 CA ALA A 324 468.322 426.317 458.191 1.00 0.00 C +ATOM 325 CA ASP A 325 468.355 426.460 461.998 1.00 0.00 C +ATOM 326 CA PRO A 326 468.322 425.391 465.655 1.00 0.00 C +ATOM 327 CA PRO A 327 470.524 426.257 468.642 1.00 0.00 C +ATOM 328 CA ALA A 328 473.704 425.136 470.417 1.00 0.00 C +ATOM 329 CA ARG A 329 475.927 426.214 473.317 1.00 0.00 C +ATOM 330 CA LYS A 330 478.190 423.264 474.152 1.00 0.00 C +ATOM 331 CA GLY A 331 481.597 422.706 472.542 1.00 0.00 C +ATOM 332 CA ARG A 332 484.360 420.123 473.000 1.00 0.00 C +ATOM 333 CA ARG A 333 485.101 418.917 469.462 1.00 0.00 C +ATOM 334 CA PRO A 334 488.234 420.242 467.746 1.00 0.00 C +ATOM 335 CA SER A 335 487.886 419.320 464.066 1.00 0.00 C +ATOM 336 CA THR A 336 486.296 420.324 460.753 1.00 0.00 C +ATOM 337 CA SER A 337 487.282 418.520 457.545 1.00 0.00 C +ATOM 338 CA ASP A 338 487.662 420.146 454.120 1.00 0.00 C +ATOM 339 CA ARG A 339 487.535 418.911 450.518 1.00 0.00 C +ATOM 340 CA ALA A 340 488.811 421.709 448.269 1.00 0.00 C +ATOM 341 CA ALA A 341 492.400 421.098 447.146 1.00 0.00 C +ATOM 342 CA LEU A 342 495.307 420.642 444.726 1.00 0.00 C +ATOM 343 CA SER A 343 494.055 420.528 441.130 1.00 0.00 C +ATOM 344 CA ARG A 344 492.761 421.145 437.600 1.00 0.00 C +ATOM 345 CA ASN A 345 494.704 422.032 434.445 1.00 0.00 C +ATOM 346 CA TYR A 346 494.511 425.206 432.347 1.00 0.00 C +ATOM 347 CA LEU A 347 491.801 427.678 433.381 1.00 0.00 C +ATOM 348 CA ARG A 348 488.722 428.313 435.533 1.00 0.00 C +ATOM 349 CA ARG A 349 486.426 426.240 437.757 1.00 0.00 C +ATOM 350 CA PHE A 350 484.743 425.830 441.151 1.00 0.00 C +TER 351 PHE A 350 +END diff --git a/Bacteria/Q0A8R3/Q0A8R3.dcd b/Bacteria/Q0A8R3/Q0A8R3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..3eebc5db6d6ed84da2640ec284f50697825c86d9 --- /dev/null +++ b/Bacteria/Q0A8R3/Q0A8R3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3dccb577cff46ee01bdc6bd99b76b439df6321bf8fc52c7e0ed92ea389406198 +size 7880276 diff --git a/Bacteria/Q0A8R3/top.pdb b/Bacteria/Q0A8R3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..385340bfc56af9fdb9223d644e983cbbd878163d --- /dev/null +++ b/Bacteria/Q0A8R3/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 1 240.786 246.735 258.661 1.00 0.00 C +ATOM 2 CA ALA A 2 240.949 250.515 258.213 1.00 0.00 C +ATOM 3 CA VAL A 3 243.095 251.114 255.123 1.00 0.00 C +ATOM 4 CA GLN A 4 240.871 252.258 252.249 1.00 0.00 C +ATOM 5 CA GLN A 5 241.930 252.439 248.593 1.00 0.00 C +ATOM 6 CA ASN A 6 243.630 252.231 245.190 1.00 0.00 C +ATOM 7 CA ARG A 7 243.100 250.735 241.727 1.00 0.00 C +ATOM 8 CA LYS A 8 241.257 249.341 238.698 1.00 0.00 C +ATOM 9 CA THR A 9 239.404 246.077 238.037 1.00 0.00 C +ATOM 10 CA PRO A 10 236.116 246.621 236.190 1.00 0.00 C +ATOM 11 CA SER A 11 234.469 248.779 233.517 1.00 0.00 C +ATOM 12 CA LYS A 12 236.248 249.028 230.157 1.00 0.00 C +ATOM 13 CA ARG A 13 239.973 248.229 230.241 1.00 0.00 C +ATOM 14 CA GLY A 14 242.726 248.516 232.859 1.00 0.00 C +ATOM 15 CA MET A 15 245.395 245.837 232.395 1.00 0.00 C +ATOM 16 CA ARG A 16 247.269 243.051 234.196 1.00 0.00 C +ATOM 17 CA ARG A 17 245.181 241.964 237.192 1.00 0.00 C +ATOM 18 CA SER A 18 246.815 240.033 240.041 1.00 0.00 C +ATOM 19 CA HIS A 19 245.832 240.105 243.721 1.00 0.00 C +ATOM 20 CA ASP A 20 246.326 237.458 246.416 1.00 0.00 C +ATOM 21 CA ALA A 21 245.465 237.817 250.111 1.00 0.00 C +ATOM 22 CA LEU A 22 246.321 237.956 253.821 1.00 0.00 C +ATOM 23 CA SER A 23 248.045 239.763 256.698 1.00 0.00 C +ATOM 24 CA GLY A 24 248.750 239.243 260.406 1.00 0.00 C +ATOM 25 CA PRO A 25 252.133 239.333 262.157 1.00 0.00 C +ATOM 26 CA ALA A 26 253.311 235.709 262.165 1.00 0.00 C +ATOM 27 CA LEU A 27 254.560 234.480 265.548 1.00 0.00 C +ATOM 28 CA SER A 28 257.343 234.924 268.111 1.00 0.00 C +ATOM 29 CA VAL A 29 259.563 237.775 266.902 1.00 0.00 C +ATOM 30 CA GLU A 30 259.083 240.654 264.453 1.00 0.00 C +ATOM 31 CA PRO A 31 257.679 244.193 264.586 1.00 0.00 C +ATOM 32 CA GLN A 32 255.010 246.868 265.072 1.00 0.00 C +ATOM 33 CA THR A 33 252.092 249.170 265.913 1.00 0.00 C +ATOM 34 CA GLY A 34 249.402 249.997 263.344 1.00 0.00 C +ATOM 35 CA GLU A 35 247.444 249.199 260.175 1.00 0.00 C +ATOM 36 CA THR A 36 247.108 246.779 257.251 1.00 0.00 C +ATOM 37 CA HIS A 37 250.389 246.785 255.315 1.00 0.00 C +ATOM 38 CA ARG A 38 249.878 246.904 251.542 1.00 0.00 C +ATOM 39 CA ARG A 39 250.452 245.298 248.135 1.00 0.00 C +ATOM 40 CA HIS A 40 252.030 245.455 244.671 1.00 0.00 C +ATOM 41 CA HIS A 41 255.384 246.231 243.038 1.00 0.00 C +ATOM 42 CA VAL A 42 256.174 249.934 243.465 1.00 0.00 C +ATOM 43 CA SER A 43 259.477 251.829 243.585 1.00 0.00 C +ATOM 44 CA PRO A 44 262.035 254.541 242.796 1.00 0.00 C +ATOM 45 CA ASP A 45 260.460 257.605 241.168 1.00 0.00 C +ATOM 46 CA GLY A 46 260.098 260.732 243.314 1.00 0.00 C +ATOM 47 CA TYR A 47 256.675 262.276 242.670 1.00 0.00 C +ATOM 48 CA TYR A 48 253.465 260.252 243.007 1.00 0.00 C +ATOM 49 CA ARG A 49 253.228 256.456 243.234 1.00 0.00 C +ATOM 50 CA GLY A 50 255.474 255.493 246.157 1.00 0.00 C +ATOM 51 CA ARG A 51 257.368 258.107 248.180 1.00 0.00 C +ATOM 52 CA LYS A 52 258.939 260.033 251.069 1.00 0.00 C +ATOM 53 CA VAL A 53 257.657 263.165 252.818 1.00 0.00 C +ATOM 54 CA MET A 54 255.951 266.540 253.281 1.00 0.00 C +ATOM 55 CA GLN A 55 257.450 269.388 255.321 1.00 0.00 C +ATOM 56 CA GLY A 56 255.607 272.704 254.974 1.00 0.00 C +ATOM 57 CA ARG A 57 253.847 274.057 258.071 1.00 0.00 C +ATOM 58 CA GLU A 58 252.366 272.018 260.928 1.00 0.00 C +ATOM 59 CA ASP A 59 250.916 269.272 263.135 1.00 0.00 C +TER 60 ASP A 59 +END diff --git a/Bacteria/Q0A907/Q0A907.dcd b/Bacteria/Q0A907/Q0A907.dcd new file mode 100644 index 0000000000000000000000000000000000000000..19f779a2d174e00ee87dff850d0d94ac001f3257 --- /dev/null +++ b/Bacteria/Q0A907/Q0A907.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e54b3bdbdc2df2c48419141009cfdf5920b290f2ca7d39783be71200ef91660c +size 7880276 diff --git a/Bacteria/Q0A907/top.pdb b/Bacteria/Q0A907/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a8a4f76a68f84a22b581b0acecb1cbc1c6120840 --- /dev/null +++ b/Bacteria/Q0A907/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 1 224.954 242.097 228.419 1.00 0.00 C +ATOM 2 CA ARG A 2 225.078 241.177 232.114 1.00 0.00 C +ATOM 3 CA LYS A 3 222.792 243.243 234.355 1.00 0.00 C +ATOM 4 CA PRO A 4 222.999 244.702 237.868 1.00 0.00 C +ATOM 5 CA ASP A 5 225.089 243.483 240.811 1.00 0.00 C +ATOM 6 CA ALA A 6 225.338 241.215 243.863 1.00 0.00 C +ATOM 7 CA GLU A 7 227.688 241.916 246.779 1.00 0.00 C +ATOM 8 CA GLN A 8 231.020 243.668 246.193 1.00 0.00 C +ATOM 9 CA GLN A 9 232.492 247.097 245.425 1.00 0.00 C +ATOM 10 CA PRO A 10 234.051 248.655 242.317 1.00 0.00 C +ATOM 11 CA VAL A 11 236.248 251.628 241.396 1.00 0.00 C +ATOM 12 CA ALA A 12 236.297 254.151 238.542 1.00 0.00 C +ATOM 13 CA ASP A 13 234.229 257.319 238.991 1.00 0.00 C +ATOM 14 CA SER A 14 233.509 261.060 239.039 1.00 0.00 C +ATOM 15 CA LYS A 15 236.311 263.638 239.184 1.00 0.00 C +ATOM 16 CA ASN A 16 238.681 265.625 241.410 1.00 0.00 C +ATOM 17 CA ASP A 17 240.314 268.483 243.328 1.00 0.00 C +ATOM 18 CA ALA A 18 240.580 269.892 246.858 1.00 0.00 C +ATOM 19 CA ARG A 19 241.829 272.785 248.999 1.00 0.00 C +ATOM 20 CA ASP A 20 241.595 273.361 252.758 1.00 0.00 C +ATOM 21 CA ASP A 21 240.605 275.447 255.789 1.00 0.00 C +ATOM 22 CA THR A 22 241.305 275.730 259.523 1.00 0.00 C +ATOM 23 CA THR A 23 244.210 273.987 261.265 1.00 0.00 C +ATOM 24 CA GLY A 24 245.728 271.186 263.355 1.00 0.00 C +ATOM 25 CA ALA A 25 249.318 270.632 262.206 1.00 0.00 C +ATOM 26 CA VAL A 26 252.973 269.831 262.926 1.00 0.00 C +ATOM 27 CA ALA A 27 254.192 266.221 262.922 1.00 0.00 C +ATOM 28 CA ALA A 28 256.021 263.009 263.846 1.00 0.00 C +ATOM 29 CA GLY A 29 257.317 259.878 262.105 1.00 0.00 C +ATOM 30 CA ASP A 30 257.124 256.110 262.636 1.00 0.00 C +ATOM 31 CA GLY A 31 254.398 254.041 260.960 1.00 0.00 C +ATOM 32 CA ARG A 32 252.250 252.887 258.034 1.00 0.00 C +ATOM 33 CA PRO A 33 250.164 249.698 258.012 1.00 0.00 C +ATOM 34 CA LYS A 34 251.305 247.133 255.436 1.00 0.00 C +ATOM 35 CA GLU A 35 253.145 243.799 255.564 1.00 0.00 C +ATOM 36 CA ILE A 36 252.793 242.038 252.204 1.00 0.00 C +ATOM 37 CA GLY A 37 252.656 238.231 252.277 1.00 0.00 C +ATOM 38 CA GLY A 38 252.857 235.272 249.885 1.00 0.00 C +ATOM 39 CA PRO A 39 250.371 233.658 247.491 1.00 0.00 C +ATOM 40 CA LYS A 40 252.300 232.943 244.284 1.00 0.00 C +ATOM 41 CA GLY A 41 255.629 234.700 243.699 1.00 0.00 C +ATOM 42 CA PRO A 42 259.370 234.939 243.013 1.00 0.00 C +ATOM 43 CA GLU A 43 261.747 235.901 240.196 1.00 0.00 C +ATOM 44 CA PRO A 44 263.496 239.260 239.776 1.00 0.00 C +ATOM 45 CA THR A 45 267.057 240.200 240.752 1.00 0.00 C +ATOM 46 CA ARG A 46 267.891 242.769 243.439 1.00 0.00 C +ATOM 47 CA TYR A 47 266.394 242.887 246.941 1.00 0.00 C +ATOM 48 CA GLY A 48 263.831 243.613 249.665 1.00 0.00 C +ATOM 49 CA ASP A 49 262.664 240.430 251.403 1.00 0.00 C +ATOM 50 CA TRP A 50 260.033 240.445 254.159 1.00 0.00 C +ATOM 51 CA GLU A 51 260.679 240.270 257.910 1.00 0.00 C +ATOM 52 CA ARG A 52 262.935 243.083 259.139 1.00 0.00 C +ATOM 53 CA ASN A 53 266.499 242.051 260.004 1.00 0.00 C +ATOM 54 CA GLY A 54 269.079 242.681 257.272 1.00 0.00 C +ATOM 55 CA ARG A 55 272.578 243.147 255.837 1.00 0.00 C +ATOM 56 CA CYS A 56 275.769 241.292 254.895 1.00 0.00 C +ATOM 57 CA SER A 57 277.765 240.553 258.055 1.00 0.00 C +ATOM 58 CA ASP A 58 280.956 238.476 258.187 1.00 0.00 C +ATOM 59 CA PHE A 59 283.504 236.378 256.284 1.00 0.00 C +TER 60 PHE A 59 +END diff --git a/Bacteria/Q0A9R8/Q0A9R8.dcd b/Bacteria/Q0A9R8/Q0A9R8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..9c02a3c9faf440ebfe06f8f16952a509e90749a8 --- /dev/null +++ b/Bacteria/Q0A9R8/Q0A9R8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f2d7931e4db0a21d2770dde9c4b90eb1871b03865a1507235ab9a7c1b307eeb1 +size 17720276 diff --git a/Bacteria/Q0A9R8/top.pdb b/Bacteria/Q0A9R8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3c76ca44930edd4b9a8d75bef99286dd061a372d --- /dev/null +++ b/Bacteria/Q0A9R8/top.pdb @@ -0,0 +1,145 @@ +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 1 266.588 299.861 247.890 1.00 0.00 C +ATOM 2 CA ALA A 2 265.973 299.080 251.568 1.00 0.00 C +ATOM 3 CA VAL A 3 264.794 297.968 255.016 1.00 0.00 C +ATOM 4 CA PHE A 4 266.571 296.348 257.971 1.00 0.00 C +ATOM 5 CA ARG A 5 267.527 294.003 260.818 1.00 0.00 C +ATOM 6 CA SER A 6 269.536 290.837 261.494 1.00 0.00 C +ATOM 7 CA ASP A 7 268.933 288.082 264.056 1.00 0.00 C +ATOM 8 CA SER A 8 268.467 284.416 264.981 1.00 0.00 C +ATOM 9 CA PRO A 9 265.394 282.931 263.288 1.00 0.00 C +ATOM 10 CA GLN A 10 264.553 285.291 260.418 1.00 0.00 C +ATOM 11 CA HIS A 11 264.501 287.249 257.150 1.00 0.00 C +ATOM 12 CA TRP A 12 263.914 285.264 253.951 1.00 0.00 C +ATOM 13 CA GLU A 13 262.284 281.850 254.402 1.00 0.00 C +ATOM 14 CA GLN A 14 264.060 279.686 256.987 1.00 0.00 C +ATOM 15 CA PRO A 15 264.962 276.091 257.870 1.00 0.00 C +ATOM 16 CA SER A 16 268.362 274.709 256.846 1.00 0.00 C +ATOM 17 CA ARG A 17 268.994 271.010 256.184 1.00 0.00 C +ATOM 18 CA PRO A 18 270.753 267.632 256.095 1.00 0.00 C +ATOM 19 CA ILE A 19 273.185 265.452 254.133 1.00 0.00 C +ATOM 20 CA LYS A 20 276.050 264.808 256.560 1.00 0.00 C +ATOM 21 CA GLU A 21 277.586 263.975 259.947 1.00 0.00 C +ATOM 22 CA PHE A 22 277.804 262.501 263.453 1.00 0.00 C +ATOM 23 CA TRP A 23 274.853 260.309 264.455 1.00 0.00 C +ATOM 24 CA SER A 24 273.991 258.238 267.534 1.00 0.00 C +ATOM 25 CA SER A 25 272.511 254.738 267.256 1.00 0.00 C +ATOM 26 CA ASP A 26 268.879 253.588 267.320 1.00 0.00 C +ATOM 27 CA LEU A 27 265.622 253.505 265.345 1.00 0.00 C +ATOM 28 CA GLU A 28 264.459 255.537 262.340 1.00 0.00 C +ATOM 29 CA PRO A 29 267.428 255.740 259.962 1.00 0.00 C +ATOM 30 CA LYS A 30 268.649 252.151 259.581 1.00 0.00 C +ATOM 31 CA ALA A 31 269.378 249.932 256.572 1.00 0.00 C +ATOM 32 CA ASP A 32 268.988 249.039 252.888 1.00 0.00 C +ATOM 33 CA SER A 33 265.507 248.490 251.440 1.00 0.00 C +ATOM 34 CA LYS A 34 262.158 246.674 251.378 1.00 0.00 C +ATOM 35 CA PRO A 35 259.880 243.905 252.664 1.00 0.00 C +ATOM 36 CA THR A 36 258.267 240.877 254.323 1.00 0.00 C +ATOM 37 CA ARG A 37 256.603 238.593 251.767 1.00 0.00 C +ATOM 38 CA ARG A 38 255.330 235.130 250.817 1.00 0.00 C +ATOM 39 CA LYS A 39 257.035 233.910 247.636 1.00 0.00 C +ATOM 40 CA ALA A 40 260.723 232.965 247.493 1.00 0.00 C +ATOM 41 CA ASP A 41 262.937 236.027 246.998 1.00 0.00 C +ATOM 42 CA PRO A 42 263.655 237.381 250.486 1.00 0.00 C +ATOM 43 CA SER A 43 266.548 238.891 252.451 1.00 0.00 C +ATOM 44 CA ALA A 44 267.655 237.540 255.838 1.00 0.00 C +ATOM 45 CA VAL A 45 270.163 235.201 257.497 1.00 0.00 C +ATOM 46 CA GLN A 46 269.636 231.521 258.334 1.00 0.00 C +ATOM 47 CA ARG A 47 267.499 230.657 261.368 1.00 0.00 C +ATOM 48 CA LEU A 48 263.737 231.256 261.392 1.00 0.00 C +ATOM 49 CA MET A 49 262.681 230.752 257.766 1.00 0.00 C +ATOM 50 CA ASN A 50 259.872 231.750 255.392 1.00 0.00 C +ATOM 51 CA GLN A 51 257.122 229.258 254.530 1.00 0.00 C +ATOM 52 CA ARG A 52 256.614 226.049 256.520 1.00 0.00 C +ATOM 53 CA THR A 53 256.566 225.925 260.328 1.00 0.00 C +ATOM 54 CA ALA A 54 254.268 227.198 263.087 1.00 0.00 C +ATOM 55 CA THR A 55 252.359 230.480 262.772 1.00 0.00 C +ATOM 56 CA PRO A 56 252.064 233.349 260.282 1.00 0.00 C +ATOM 57 CA LYS A 57 249.545 234.649 257.736 1.00 0.00 C +ATOM 58 CA ALA A 58 249.224 237.685 255.457 1.00 0.00 C +ATOM 59 CA ASP A 59 248.924 239.243 251.993 1.00 0.00 C +ATOM 60 CA THR A 60 248.167 242.724 250.643 1.00 0.00 C +ATOM 61 CA ALA A 61 244.760 243.016 248.964 1.00 0.00 C +ATOM 62 CA PRO A 62 241.744 245.300 249.421 1.00 0.00 C +ATOM 63 CA PRO A 63 238.948 246.302 251.806 1.00 0.00 C +ATOM 64 CA ARG A 64 235.678 244.542 252.659 1.00 0.00 C +ATOM 65 CA ARG A 65 233.708 242.642 255.310 1.00 0.00 C +ATOM 66 CA ALA A 66 232.667 240.455 258.251 1.00 0.00 C +ATOM 67 CA GLY A 67 230.498 240.670 261.376 1.00 0.00 C +ATOM 68 CA ARG A 68 231.283 240.253 265.080 1.00 0.00 C +ATOM 69 CA TYR A 69 231.793 243.499 267.010 1.00 0.00 C +ATOM 70 CA ASP A 70 233.416 245.972 264.610 1.00 0.00 C +ATOM 71 CA ALA A 71 232.606 246.751 260.969 1.00 0.00 C +ATOM 72 CA GLY A 72 229.988 249.493 260.601 1.00 0.00 C +ATOM 73 CA ALA A 73 227.488 248.902 257.787 1.00 0.00 C +ATOM 74 CA GLU A 74 225.514 251.583 255.934 1.00 0.00 C +ATOM 75 CA ARG A 75 226.720 255.178 256.305 1.00 0.00 C +ATOM 76 CA ARG A 76 228.637 257.486 258.654 1.00 0.00 C +ATOM 77 CA ARG A 77 231.639 259.804 259.011 1.00 0.00 C +ATOM 78 CA GLN A 78 230.405 263.391 258.656 1.00 0.00 C +ATOM 79 CA ALA A 79 228.313 266.017 256.855 1.00 0.00 C +ATOM 80 CA ALA A 80 227.293 268.633 259.431 1.00 0.00 C +ATOM 81 CA ALA A 81 227.591 268.170 263.201 1.00 0.00 C +ATOM 82 CA MET A 82 228.566 270.726 265.853 1.00 0.00 C +ATOM 83 CA ALA A 83 229.608 268.920 269.042 1.00 0.00 C +ATOM 84 CA GLU A 84 233.361 268.325 268.763 1.00 0.00 C +ATOM 85 CA ILE A 85 235.947 268.591 271.548 1.00 0.00 C +ATOM 86 CA ARG A 86 239.257 267.071 272.667 1.00 0.00 C +ATOM 87 CA ASP A 87 241.681 264.820 270.777 1.00 0.00 C +ATOM 88 CA ARG A 88 242.796 261.179 270.911 1.00 0.00 C +ATOM 89 CA HIS A 89 245.851 261.026 268.641 1.00 0.00 C +ATOM 90 CA LYS A 90 244.950 259.856 265.128 1.00 0.00 C +ATOM 91 CA SER A 91 242.376 262.111 263.454 1.00 0.00 C +ATOM 92 CA SER A 92 242.082 263.834 260.069 1.00 0.00 C +ATOM 93 CA ARG A 93 241.625 266.245 257.154 1.00 0.00 C +ATOM 94 CA GLY A 94 238.675 267.387 255.030 1.00 0.00 C +ATOM 95 CA LEU A 95 235.401 266.134 253.538 1.00 0.00 C +ATOM 96 CA THR A 96 235.988 265.536 249.821 1.00 0.00 C +ATOM 97 CA ARG A 97 237.571 262.586 248.002 1.00 0.00 C +ATOM 98 CA THR A 98 238.625 259.287 249.589 1.00 0.00 C +ATOM 99 CA ASP A 99 241.647 257.723 251.303 1.00 0.00 C +ATOM 100 CA ALA A 100 243.857 255.749 248.909 1.00 0.00 C +ATOM 101 CA LYS A 101 241.982 252.523 248.136 1.00 0.00 C +ATOM 102 CA ALA A 102 244.229 250.365 245.942 1.00 0.00 C +ATOM 103 CA LYS A 103 247.775 249.781 244.677 1.00 0.00 C +ATOM 104 CA ALA A 104 250.442 248.692 242.184 1.00 0.00 C +ATOM 105 CA ALA A 105 249.704 249.175 238.477 1.00 0.00 C +ATOM 106 CA PRO A 106 248.720 251.243 235.432 1.00 0.00 C +ATOM 107 CA VAL A 107 251.410 250.432 232.859 1.00 0.00 C +ATOM 108 CA MET A 108 252.110 252.500 229.736 1.00 0.00 C +ATOM 109 CA PRO A 109 255.238 250.918 228.243 1.00 0.00 C +ATOM 110 CA GLU A 110 257.006 247.610 227.576 1.00 0.00 C +ATOM 111 CA PRO A 111 257.855 246.163 230.997 1.00 0.00 C +ATOM 112 CA THR A 112 259.360 242.732 231.686 1.00 0.00 C +ATOM 113 CA THR A 113 260.918 239.545 233.078 1.00 0.00 C +ATOM 114 CA ASP A 114 258.640 236.686 232.006 1.00 0.00 C +ATOM 115 CA SER A 115 256.294 234.965 229.545 1.00 0.00 C +ATOM 116 CA ALA A 116 256.847 233.005 226.325 1.00 0.00 C +ATOM 117 CA PRO A 117 255.175 232.654 222.920 1.00 0.00 C +ATOM 118 CA SER A 118 254.950 232.566 219.117 1.00 0.00 C +ATOM 119 CA GLY A 119 251.802 231.770 217.123 1.00 0.00 C +ATOM 120 CA GLY A 120 250.466 228.554 218.669 1.00 0.00 C +ATOM 121 CA GLY A 121 247.398 226.703 219.965 1.00 0.00 C +ATOM 122 CA TYR A 122 246.403 223.793 222.214 1.00 0.00 C +ATOM 123 CA GLN A 123 243.405 223.815 224.566 1.00 0.00 C +ATOM 124 CA ALA A 124 240.128 222.215 223.464 1.00 0.00 C +ATOM 125 CA MET A 125 238.366 220.578 226.418 1.00 0.00 C +ATOM 126 CA VAL A 126 236.699 221.592 229.690 1.00 0.00 C +ATOM 127 CA ASP A 127 237.846 219.065 232.300 1.00 0.00 C +ATOM 128 CA ALA A 128 236.097 215.705 232.712 1.00 0.00 C +ATOM 129 CA ILE A 129 233.053 215.454 234.989 1.00 0.00 C +ATOM 130 CA LYS A 130 231.066 218.666 234.492 1.00 0.00 C +ATOM 131 CA GLY A 131 229.935 221.192 231.873 1.00 0.00 C +ATOM 132 CA ALA A 132 228.944 223.441 228.962 1.00 0.00 C +ATOM 133 CA HIS A 133 226.830 226.565 229.498 1.00 0.00 C +ATOM 134 CA LYS A 134 228.951 229.468 230.761 1.00 0.00 C +ATOM 135 CA ARG A 135 227.571 232.803 229.543 1.00 0.00 C +ATOM 136 CA GLY A 136 228.567 233.624 225.958 1.00 0.00 C +ATOM 137 CA GLY A 137 230.616 236.500 224.527 1.00 0.00 C +ATOM 138 CA ASP A 138 230.770 239.128 227.281 1.00 0.00 C +ATOM 139 CA ASN A 139 233.142 237.986 230.035 1.00 0.00 C +ATOM 140 CA ASN A 140 235.692 240.612 231.090 1.00 0.00 C +ATOM 141 CA GLY A 141 236.752 244.143 230.127 1.00 0.00 C +TER 142 GLY A 141 +END diff --git a/Bacteria/Q0ABV3/Q0ABV3.dcd b/Bacteria/Q0ABV3/Q0ABV3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..4ceabe25a5535effbf9808850c76fe778817757e --- /dev/null +++ b/Bacteria/Q0ABV3/Q0ABV3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ed6412348152ee1f545068769f44b341dadddbe1f583357747e57b2ad62dc600 +size 7400276 diff --git a/Bacteria/Q0ABV3/top.pdb b/Bacteria/Q0ABV3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3d3f831b6fea3a640379d17e00313d4c1d3ffd08 --- /dev/null +++ b/Bacteria/Q0ABV3/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 1 266.877 220.067 217.827 1.00 0.00 C +ATOM 2 CA SER A 2 267.040 216.264 217.672 1.00 0.00 C +ATOM 3 CA PRO A 3 265.155 214.789 214.708 1.00 0.00 C +ATOM 4 CA LEU A 4 261.440 215.578 214.408 1.00 0.00 C +ATOM 5 CA LYS A 5 258.569 214.536 216.686 1.00 0.00 C +ATOM 6 CA GLN A 6 258.292 214.057 220.456 1.00 0.00 C +ATOM 7 CA ARG A 7 259.145 212.665 223.899 1.00 0.00 C +ATOM 8 CA ASP A 8 258.728 215.165 226.743 1.00 0.00 C +ATOM 9 CA THR A 9 260.475 218.049 228.518 1.00 0.00 C +ATOM 10 CA GLY A 10 263.663 219.869 229.538 1.00 0.00 C +ATOM 11 CA ASN A 11 263.965 222.380 232.388 1.00 0.00 C +ATOM 12 CA ASP A 12 264.266 225.849 233.933 1.00 0.00 C +ATOM 13 CA PRO A 13 264.281 229.604 234.582 1.00 0.00 C +ATOM 14 CA ARG A 14 267.847 230.919 234.317 1.00 0.00 C +ATOM 15 CA SER A 15 267.624 234.697 234.756 1.00 0.00 C +ATOM 16 CA VAL A 16 266.875 236.639 237.948 1.00 0.00 C +ATOM 17 CA THR A 17 265.449 236.495 241.478 1.00 0.00 C +ATOM 18 CA ASP A 18 261.996 236.470 243.088 1.00 0.00 C +ATOM 19 CA LYS A 19 259.373 238.925 244.356 1.00 0.00 C +ATOM 20 CA GLU A 20 257.805 242.378 243.994 1.00 0.00 C +ATOM 21 CA LEU A 21 254.099 243.186 244.349 1.00 0.00 C +ATOM 22 CA ARG A 22 251.222 245.639 243.875 1.00 0.00 C +ATOM 23 CA ARG A 23 250.098 249.207 243.155 1.00 0.00 C +ATOM 24 CA GLN A 24 249.051 251.965 245.565 1.00 0.00 C +ATOM 25 CA TYR A 25 245.972 252.867 247.620 1.00 0.00 C +ATOM 26 CA GLN A 26 244.034 250.311 249.676 1.00 0.00 C +ATOM 27 CA GLN A 27 240.766 249.237 251.314 1.00 0.00 C +ATOM 28 CA GLU A 28 237.303 250.079 249.966 1.00 0.00 C +ATOM 29 CA GLN A 29 234.292 249.653 247.671 1.00 0.00 C +ATOM 30 CA VAL A 30 231.773 252.502 247.905 1.00 0.00 C +ATOM 31 CA GLU A 31 231.332 256.148 246.889 1.00 0.00 C +ATOM 32 CA GLN A 32 230.637 259.772 247.834 1.00 0.00 C +ATOM 33 CA TRP A 33 227.223 261.239 248.680 1.00 0.00 C +ATOM 34 CA ARG A 34 227.363 264.417 250.777 1.00 0.00 C +ATOM 35 CA LYS A 35 230.325 266.242 252.329 1.00 0.00 C +ATOM 36 CA GLN A 36 232.198 263.767 254.540 1.00 0.00 C +ATOM 37 CA ALA A 37 235.413 263.147 256.488 1.00 0.00 C +ATOM 38 CA ASP A 38 238.978 262.784 257.781 1.00 0.00 C +ATOM 39 CA GLU A 39 242.411 262.535 259.415 1.00 0.00 C +ATOM 40 CA ALA A 40 242.123 263.550 263.076 1.00 0.00 C +ATOM 41 CA HIS A 41 239.631 266.431 263.142 1.00 0.00 C +ATOM 42 CA ASP A 42 237.167 265.906 266.000 1.00 0.00 C +ATOM 43 CA ARG A 43 238.268 267.543 269.260 1.00 0.00 C +ATOM 44 CA TRP A 44 242.024 268.171 269.396 1.00 0.00 C +ATOM 45 CA MET A 45 242.401 271.845 270.332 1.00 0.00 C +ATOM 46 CA ASP A 46 244.886 274.570 271.287 1.00 0.00 C +ATOM 47 CA VAL A 47 246.917 276.533 273.844 1.00 0.00 C +ATOM 48 CA ILE A 48 248.752 274.444 276.449 1.00 0.00 C +ATOM 49 CA ASP A 49 249.569 275.698 279.953 1.00 0.00 C +ATOM 50 CA ASN A 50 252.249 275.788 282.660 1.00 0.00 C +ATOM 51 CA PRO A 51 252.893 279.196 284.236 1.00 0.00 C +ATOM 52 CA TYR A 52 250.818 281.955 285.849 1.00 0.00 C +ATOM 53 CA GLY A 53 252.725 285.179 285.153 1.00 0.00 C +ATOM 54 CA LYS A 54 256.213 286.368 286.118 1.00 0.00 C +ATOM 55 CA ASP A 55 260.006 286.730 286.119 1.00 0.00 C +TER 56 ASP A 55 +END diff --git a/Bacteria/Q0ABX8/Q0ABX8.dcd b/Bacteria/Q0ABX8/Q0ABX8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..da8e080767d0db919891e60a43766d3c3cf1c311 --- /dev/null +++ b/Bacteria/Q0ABX8/Q0ABX8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:efb53db3cc855e2bc34257eb8c0d38a35b59948bef7981fb37b57e6bbfb05250 +size 12320276 diff --git a/Bacteria/Q0ABX8/top.pdb b/Bacteria/Q0ABX8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d85f8a82ae8970b2a612a846ac54c29dea80f313 --- /dev/null +++ b/Bacteria/Q0ABX8/top.pdb @@ -0,0 +1,100 @@ +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 1 236.729 252.480 267.679 1.00 0.00 C +ATOM 2 CA LEU A 2 236.267 248.708 267.407 1.00 0.00 C +ATOM 3 CA GLN A 3 239.540 247.317 266.040 1.00 0.00 C +ATOM 4 CA VAL A 4 238.893 244.694 263.353 1.00 0.00 C +ATOM 5 CA PRO A 5 240.897 243.129 260.515 1.00 0.00 C +ATOM 6 CA PRO A 6 243.386 243.102 257.631 1.00 0.00 C +ATOM 7 CA LEU A 7 247.094 242.245 257.448 1.00 0.00 C +ATOM 8 CA VAL A 8 250.061 243.824 255.654 1.00 0.00 C +ATOM 9 CA ASP A 9 252.950 242.085 253.881 1.00 0.00 C +ATOM 10 CA PRO A 10 252.507 238.390 254.696 1.00 0.00 C +ATOM 11 CA VAL A 11 252.935 238.059 258.468 1.00 0.00 C +ATOM 12 CA ARG A 12 252.510 239.020 262.130 1.00 0.00 C +ATOM 13 CA ASN A 13 249.237 240.317 263.588 1.00 0.00 C +ATOM 14 CA ALA A 14 246.190 241.840 265.293 1.00 0.00 C +ATOM 15 CA ALA A 15 246.724 242.601 268.988 1.00 0.00 C +ATOM 16 CA LYS A 16 243.833 244.363 270.735 1.00 0.00 C +ATOM 17 CA PRO A 17 241.055 242.079 271.993 1.00 0.00 C +ATOM 18 CA ARG A 18 241.908 238.442 271.244 1.00 0.00 C +ATOM 19 CA THR A 19 240.181 237.166 268.096 1.00 0.00 C +ATOM 20 CA PRO A 20 239.281 235.387 264.849 1.00 0.00 C +ATOM 21 CA PRO A 21 240.837 234.689 261.442 1.00 0.00 C +ATOM 22 CA THR A 22 241.067 230.907 261.042 1.00 0.00 C +ATOM 23 CA ILE A 23 240.311 227.570 262.718 1.00 0.00 C +ATOM 24 CA GLU A 24 239.404 228.194 266.366 1.00 0.00 C +ATOM 25 CA SER A 25 235.898 229.590 266.891 1.00 0.00 C +ATOM 26 CA ILE A 26 232.890 228.971 269.147 1.00 0.00 C +ATOM 27 CA LEU A 27 229.121 229.462 268.894 1.00 0.00 C +ATOM 28 CA PRO A 28 225.385 229.876 268.271 1.00 0.00 C +ATOM 29 CA VAL A 29 222.346 231.756 266.947 1.00 0.00 C +ATOM 30 CA SER A 30 221.534 232.057 263.237 1.00 0.00 C +ATOM 31 CA PRO A 31 223.835 231.410 260.271 1.00 0.00 C +ATOM 32 CA TYR A 32 222.863 231.712 256.599 1.00 0.00 C +ATOM 33 CA PRO A 33 221.536 233.568 253.548 1.00 0.00 C +ATOM 34 CA VAL A 34 218.870 233.763 250.833 1.00 0.00 C +ATOM 35 CA VAL A 35 220.323 234.153 247.332 1.00 0.00 C +ATOM 36 CA HIS A 36 220.179 237.234 245.096 1.00 0.00 C +ATOM 37 CA PRO A 37 220.126 236.900 241.301 1.00 0.00 C +ATOM 38 CA ARG A 38 223.460 238.171 239.964 1.00 0.00 C +ATOM 39 CA GLN A 39 226.848 236.677 239.068 1.00 0.00 C +ATOM 40 CA GLN A 40 228.863 235.551 242.099 1.00 0.00 C +ATOM 41 CA GLU A 41 229.302 238.394 244.597 1.00 0.00 C +ATOM 42 CA ASP A 42 232.223 240.795 244.124 1.00 0.00 C +ATOM 43 CA THR A 43 235.874 241.592 243.382 1.00 0.00 C +ATOM 44 CA GLY A 44 238.806 240.516 241.200 1.00 0.00 C +ATOM 45 CA GLU A 45 242.325 239.689 242.403 1.00 0.00 C +ATOM 46 CA GLU A 46 244.468 238.332 239.560 1.00 0.00 C +ATOM 47 CA ARG A 47 246.414 235.267 238.403 1.00 0.00 C +ATOM 48 CA ARG A 48 249.667 236.341 236.734 1.00 0.00 C +ATOM 49 CA GLU A 49 251.016 239.854 236.143 1.00 0.00 C +ATOM 50 CA HIS A 50 248.000 242.031 235.316 1.00 0.00 C +ATOM 51 CA ARG A 51 245.718 244.616 236.937 1.00 0.00 C +ATOM 52 CA PRO A 52 247.468 246.824 239.501 1.00 0.00 C +ATOM 53 CA LEU A 53 249.464 248.118 242.477 1.00 0.00 C +ATOM 54 CA THR A 54 252.174 250.692 243.216 1.00 0.00 C +ATOM 55 CA ALA A 55 252.750 254.420 243.751 1.00 0.00 C +ATOM 56 CA GLY A 56 254.159 255.487 247.126 1.00 0.00 C +ATOM 57 CA SER A 57 257.947 255.079 247.104 1.00 0.00 C +ATOM 58 CA ARG A 58 259.747 257.648 244.943 1.00 0.00 C +ATOM 59 CA PRO A 59 259.696 256.796 241.229 1.00 0.00 C +ATOM 60 CA ARG A 60 257.119 255.457 238.763 1.00 0.00 C +ATOM 61 CA ARG A 61 258.208 252.719 236.348 1.00 0.00 C +ATOM 62 CA ALA A 62 259.233 249.059 236.080 1.00 0.00 C +ATOM 63 CA GLY A 63 256.886 246.108 236.631 1.00 0.00 C +ATOM 64 CA ALA A 64 253.467 245.340 235.135 1.00 0.00 C +ATOM 65 CA PRO A 65 253.101 245.293 231.343 1.00 0.00 C +ATOM 66 CA THR A 66 251.245 248.060 229.495 1.00 0.00 C +ATOM 67 CA ASP A 67 250.461 251.381 227.801 1.00 0.00 C +ATOM 68 CA SER A 68 247.899 253.147 229.999 1.00 0.00 C +ATOM 69 CA ALA A 69 247.813 254.821 233.421 1.00 0.00 C +ATOM 70 CA VAL A 70 250.550 254.310 236.022 1.00 0.00 C +ATOM 71 CA ARG A 71 251.384 257.776 237.366 1.00 0.00 C +ATOM 72 CA ARG A 72 250.152 261.172 236.156 1.00 0.00 C +ATOM 73 CA ASP A 73 250.463 263.530 239.133 1.00 0.00 C +ATOM 74 CA GLN A 74 253.729 264.058 241.022 1.00 0.00 C +ATOM 75 CA ARG A 75 255.357 267.454 241.597 1.00 0.00 C +ATOM 76 CA THR A 76 258.686 266.855 243.350 1.00 0.00 C +ATOM 77 CA ASP A 77 261.615 268.571 241.621 1.00 0.00 C +ATOM 78 CA ASP A 78 262.380 269.803 238.098 1.00 0.00 C +ATOM 79 CA GLN A 79 265.171 271.901 236.573 1.00 0.00 C +ATOM 80 CA ALA A 80 268.491 270.094 237.052 1.00 0.00 C +ATOM 81 CA PRO A 81 268.997 266.965 239.166 1.00 0.00 C +ATOM 82 CA ALA A 82 271.544 265.702 241.702 1.00 0.00 C +ATOM 83 CA ALA A 83 273.118 265.864 245.168 1.00 0.00 C +ATOM 84 CA PRO A 84 272.894 268.719 247.681 1.00 0.00 C +ATOM 85 CA ARG A 85 274.554 272.029 248.578 1.00 0.00 C +ATOM 86 CA ASP A 86 277.790 272.419 250.552 1.00 0.00 C +ATOM 87 CA ARG A 87 280.939 271.611 252.538 1.00 0.00 C +ATOM 88 CA PRO A 88 283.844 274.038 252.112 1.00 0.00 C +ATOM 89 CA SER A 89 285.383 276.029 254.973 1.00 0.00 C +ATOM 90 CA LEU A 90 282.688 278.544 255.932 1.00 0.00 C +ATOM 91 CA GLY A 91 282.396 281.846 257.811 1.00 0.00 C +ATOM 92 CA ILE A 92 282.720 283.151 261.376 1.00 0.00 C +ATOM 93 CA ASP A 93 283.929 286.736 261.824 1.00 0.00 C +ATOM 94 CA GLU A 94 287.708 286.691 262.310 1.00 0.00 C +ATOM 95 CA TYR A 95 290.554 286.202 259.825 1.00 0.00 C +ATOM 96 CA ALA A 96 292.443 286.593 256.539 1.00 0.00 C +TER 97 ALA A 96 +END diff --git a/Bacteria/Q0AGF5/Q0AGF5.dcd b/Bacteria/Q0AGF5/Q0AGF5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d078a5d807494431b94b5b82162942bfed496a17 --- /dev/null +++ b/Bacteria/Q0AGF5/Q0AGF5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fe92dcf9f68e70411511b5e78c75ae87d463ba6fdf719b72456317fa087a47f9 +size 14240276 diff --git a/Bacteria/Q0AGF5/top.pdb b/Bacteria/Q0AGF5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f3dbf29d451678a1a4fbcd9faa6aace9d3480e33 --- /dev/null +++ b/Bacteria/Q0AGF5/top.pdb @@ -0,0 +1,116 @@ +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 1 275.587 268.144 207.735 1.00 0.00 C +ATOM 2 CA ALA A 2 276.975 264.652 208.358 1.00 0.00 C +ATOM 3 CA THR A 3 278.742 261.395 207.471 1.00 0.00 C +ATOM 4 CA GLY A 4 277.044 257.988 207.323 1.00 0.00 C +ATOM 5 CA LYS A 5 274.072 255.614 207.549 1.00 0.00 C +ATOM 6 CA ASN A 6 270.859 253.581 207.297 1.00 0.00 C +ATOM 7 CA GLN A 7 267.650 254.480 209.144 1.00 0.00 C +ATOM 8 CA ASP A 8 268.123 254.802 212.911 1.00 0.00 C +ATOM 9 CA ASN A 9 267.095 258.370 213.766 1.00 0.00 C +ATOM 10 CA ASP A 10 268.425 260.096 216.892 1.00 0.00 C +ATOM 11 CA ASN A 11 269.972 262.855 219.016 1.00 0.00 C +ATOM 12 CA SER A 12 272.651 261.709 221.471 1.00 0.00 C +ATOM 13 CA ASN A 13 274.999 260.254 224.095 1.00 0.00 C +ATOM 14 CA LYS A 14 278.537 259.339 225.173 1.00 0.00 C +ATOM 15 CA GLY A 15 279.731 260.380 228.638 1.00 0.00 C +ATOM 16 CA PHE A 16 281.803 261.483 231.639 1.00 0.00 C +ATOM 17 CA ALA A 17 279.314 262.431 234.364 1.00 0.00 C +ATOM 18 CA SER A 18 275.950 260.928 233.395 1.00 0.00 C +ATOM 19 CA MET A 19 274.383 257.676 234.613 1.00 0.00 C +ATOM 20 CA ASP A 20 271.328 256.587 232.613 1.00 0.00 C +ATOM 21 CA GLU A 21 268.562 258.701 231.066 1.00 0.00 C +ATOM 22 CA ASP A 22 264.935 259.862 231.146 1.00 0.00 C +ATOM 23 CA LYS A 23 261.946 261.252 233.057 1.00 0.00 C +ATOM 24 CA GLN A 24 260.976 263.736 235.779 1.00 0.00 C +ATOM 25 CA ARG A 25 261.270 263.643 239.576 1.00 0.00 C +ATOM 26 CA GLN A 26 259.222 261.226 241.693 1.00 0.00 C +ATOM 27 CA ILE A 27 257.945 257.839 242.881 1.00 0.00 C +ATOM 28 CA ALA A 28 258.119 254.163 241.894 1.00 0.00 C +ATOM 29 CA SER A 29 260.290 253.106 238.947 1.00 0.00 C +ATOM 30 CA LYS A 30 262.228 252.328 235.760 1.00 0.00 C +ATOM 31 CA GLY A 31 265.061 249.856 235.145 1.00 0.00 C +ATOM 32 CA GLY A 32 266.549 247.741 237.943 1.00 0.00 C +ATOM 33 CA LYS A 33 269.743 249.389 239.208 1.00 0.00 C +ATOM 34 CA ALA A 34 269.180 250.664 242.754 1.00 0.00 C +ATOM 35 CA ALA A 35 267.641 248.198 245.217 1.00 0.00 C +ATOM 36 CA HIS A 36 268.530 246.861 248.672 1.00 0.00 C +ATOM 37 CA GLU A 37 272.108 246.613 249.958 1.00 0.00 C +ATOM 38 CA LYS A 38 272.499 249.600 252.290 1.00 0.00 C +ATOM 39 CA GLY A 39 272.146 251.418 255.620 1.00 0.00 C +ATOM 40 CA ALA A 40 268.439 252.019 256.261 1.00 0.00 C +ATOM 41 CA ALA A 41 267.110 252.594 259.785 1.00 0.00 C +ATOM 42 CA HIS A 42 265.503 256.047 259.888 1.00 0.00 C +ATOM 43 CA GLU A 43 265.723 259.826 260.323 1.00 0.00 C +ATOM 44 CA PHE A 44 263.224 262.675 259.927 1.00 0.00 C +ATOM 45 CA ASP A 45 261.582 265.796 258.485 1.00 0.00 C +ATOM 46 CA SER A 46 263.705 268.173 256.396 1.00 0.00 C +ATOM 47 CA GLU A 47 267.476 268.582 256.036 1.00 0.00 C +ATOM 48 CA GLU A 48 268.878 266.314 253.313 1.00 0.00 C +ATOM 49 CA ALA A 49 270.822 263.160 254.200 1.00 0.00 C +ATOM 50 CA ARG A 50 270.071 259.860 255.950 1.00 0.00 C +ATOM 51 CA GLU A 51 272.763 257.635 257.474 1.00 0.00 C +ATOM 52 CA ALA A 52 272.421 257.788 261.266 1.00 0.00 C +ATOM 53 CA GLY A 53 270.182 258.045 264.338 1.00 0.00 C +ATOM 54 CA LYS A 54 268.758 257.882 267.868 1.00 0.00 C +ATOM 55 CA LYS A 55 267.774 255.651 270.795 1.00 0.00 C +ATOM 56 CA GLY A 56 270.711 255.260 273.189 1.00 0.00 C +ATOM 57 CA GLY A 57 273.411 253.022 274.678 1.00 0.00 C +ATOM 58 CA GLN A 58 271.751 249.786 275.813 1.00 0.00 C +ATOM 59 CA SER A 59 269.840 247.542 273.399 1.00 0.00 C +ATOM 60 CA SER A 60 266.468 245.917 272.692 1.00 0.00 C +ATOM 61 CA SER A 61 263.323 246.744 270.706 1.00 0.00 C +ATOM 62 CA SER A 62 261.999 246.918 267.137 1.00 0.00 C +ATOM 63 CA SER A 63 261.746 247.620 263.401 1.00 0.00 C +ATOM 64 CA ALA A 64 259.720 245.358 261.100 1.00 0.00 C +ATOM 65 CA ALA A 65 257.136 242.580 261.449 1.00 0.00 C +ATOM 66 CA LYS A 66 258.682 239.140 261.987 1.00 0.00 C +ATOM 67 CA THR A 67 260.948 236.700 263.839 1.00 0.00 C +ATOM 68 CA SER A 68 259.926 233.054 263.420 1.00 0.00 C +ATOM 69 CA GLY A 69 261.939 230.583 265.509 1.00 0.00 C +ATOM 70 CA ASN A 70 259.374 228.988 267.831 1.00 0.00 C +ATOM 71 CA THR A 71 255.693 229.134 266.859 1.00 0.00 C +ATOM 72 CA ALA A 72 253.428 230.772 264.269 1.00 0.00 C +ATOM 73 CA ASN A 73 253.515 234.569 263.965 1.00 0.00 C +ATOM 74 CA THR A 74 251.865 237.879 264.881 1.00 0.00 C +ATOM 75 CA SER A 75 248.168 238.767 265.130 1.00 0.00 C +ATOM 76 CA THR A 76 246.024 241.872 264.606 1.00 0.00 C +ATOM 77 CA SER A 77 242.262 241.736 264.019 1.00 0.00 C +ATOM 78 CA GLY A 78 238.648 240.692 264.624 1.00 0.00 C +ATOM 79 CA LYS A 79 236.694 239.288 261.670 1.00 0.00 C +ATOM 80 CA SER A 80 232.958 239.156 262.405 1.00 0.00 C +ATOM 81 CA LYS A 81 232.028 235.524 263.082 1.00 0.00 C +ATOM 82 CA LYS A 82 231.602 231.750 262.780 1.00 0.00 C +ATOM 83 CA ASP A 83 231.122 228.284 261.274 1.00 0.00 C +ATOM 84 CA ASP A 84 231.817 224.996 259.478 1.00 0.00 C +ATOM 85 CA ASP A 85 230.591 222.047 257.401 1.00 0.00 C +ATOM 86 CA ASP A 86 227.050 220.869 256.634 1.00 0.00 C +ATOM 87 CA ASP A 87 224.602 223.224 258.359 1.00 0.00 C +ATOM 88 CA SER A 88 222.394 226.164 259.357 1.00 0.00 C +ATOM 89 CA PRO A 89 224.503 228.842 261.059 1.00 0.00 C +ATOM 90 CA SER A 90 222.481 231.754 262.454 1.00 0.00 C +ATOM 91 CA HIS A 91 221.624 233.382 265.790 1.00 0.00 C +ATOM 92 CA THR A 92 221.276 235.990 268.546 1.00 0.00 C +ATOM 93 CA ARG A 93 217.924 237.770 268.213 1.00 0.00 C +ATOM 94 CA GLY A 94 216.779 241.149 266.876 1.00 0.00 C +ATOM 95 CA GLY A 95 214.859 243.285 264.373 1.00 0.00 C +ATOM 96 CA THR A 96 211.279 242.282 263.540 1.00 0.00 C +ATOM 97 CA SER A 97 209.720 245.463 262.135 1.00 0.00 C +ATOM 98 CA LYS A 98 210.263 247.204 258.790 1.00 0.00 C +ATOM 99 CA GLN A 99 207.990 247.980 255.833 1.00 0.00 C +ATOM 100 CA HIS A 100 204.208 248.368 255.577 1.00 0.00 C +ATOM 101 CA SER A 101 201.356 250.331 257.166 1.00 0.00 C +ATOM 102 CA ASP A 102 199.862 253.082 254.994 1.00 0.00 C +ATOM 103 CA ALA A 103 198.524 251.641 251.731 1.00 0.00 C +ATOM 104 CA GLY A 104 200.525 253.422 249.021 1.00 0.00 C +ATOM 105 CA LYS A 105 201.906 254.509 245.641 1.00 0.00 C +ATOM 106 CA GLN A 106 200.112 257.738 244.707 1.00 0.00 C +ATOM 107 CA SER A 107 196.411 257.687 245.609 1.00 0.00 C +ATOM 108 CA HIS A 108 193.789 258.336 248.296 1.00 0.00 C +ATOM 109 CA LYS A 109 192.530 260.921 250.795 1.00 0.00 C +ATOM 110 CA ASN A 110 190.937 264.305 250.065 1.00 0.00 C +ATOM 111 CA ASP A 111 193.201 266.945 248.509 1.00 0.00 C +ATOM 112 CA LYS A 112 193.884 270.666 248.963 1.00 0.00 C +TER 113 LYS A 112 +END diff --git a/Bacteria/Q0AIS2/Q0AIS2.dcd b/Bacteria/Q0AIS2/Q0AIS2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..ef95527fd3d7c07bbf9461592ce26ab0bf2f09d6 --- /dev/null +++ b/Bacteria/Q0AIS2/Q0AIS2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1c794d0c8f53c4e4a0caef1bc72e051c9457b14d2894d8a79691fcdd011201f0 +size 8000276 diff --git a/Bacteria/Q0AIS2/top.pdb b/Bacteria/Q0AIS2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d7ed66b0d0085ce75e8d6e707427619007007e94 --- /dev/null +++ b/Bacteria/Q0AIS2/top.pdb @@ -0,0 +1,64 @@ +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 1 224.740 228.961 219.094 1.00 0.00 C +ATOM 2 CA ALA A 2 227.302 226.651 220.711 1.00 0.00 C +ATOM 3 CA VAL A 3 230.020 228.480 222.655 1.00 0.00 C +ATOM 4 CA GLN A 4 230.117 229.906 226.187 1.00 0.00 C +ATOM 5 CA GLN A 5 230.435 232.810 228.633 1.00 0.00 C +ATOM 6 CA ASN A 6 233.170 233.371 231.225 1.00 0.00 C +ATOM 7 CA LYS A 7 236.305 231.408 230.308 1.00 0.00 C +ATOM 8 CA LYS A 8 239.622 232.602 228.865 1.00 0.00 C +ATOM 9 CA SER A 9 243.229 233.825 228.970 1.00 0.00 C +ATOM 10 CA PRO A 10 245.324 232.833 231.994 1.00 0.00 C +ATOM 11 CA SER A 11 246.003 232.385 235.717 1.00 0.00 C +ATOM 12 CA LYS A 12 246.957 234.405 238.803 1.00 0.00 C +ATOM 13 CA ARG A 13 248.294 236.343 241.799 1.00 0.00 C +ATOM 14 CA GLY A 14 247.413 238.828 244.549 1.00 0.00 C +ATOM 15 CA MET A 15 246.262 239.594 248.099 1.00 0.00 C +ATOM 16 CA HIS A 16 248.876 241.829 249.738 1.00 0.00 C +ATOM 17 CA ARG A 17 251.532 241.030 252.350 1.00 0.00 C +ATOM 18 CA SER A 18 252.414 244.030 254.527 1.00 0.00 C +ATOM 19 CA HIS A 19 255.840 245.440 255.415 1.00 0.00 C +ATOM 20 CA ASP A 20 257.061 248.436 253.402 1.00 0.00 C +ATOM 21 CA ALA A 21 260.115 250.678 253.799 1.00 0.00 C +ATOM 22 CA LEU A 22 260.892 254.406 253.656 1.00 0.00 C +ATOM 23 CA THR A 23 259.711 255.815 250.319 1.00 0.00 C +ATOM 24 CA ASN A 24 260.913 254.691 246.883 1.00 0.00 C +ATOM 25 CA PRO A 25 260.793 250.884 246.764 1.00 0.00 C +ATOM 26 CA PRO A 26 258.969 248.499 244.418 1.00 0.00 C +ATOM 27 CA LEU A 27 260.859 245.485 243.055 1.00 0.00 C +ATOM 28 CA ALA A 28 258.953 244.349 239.958 1.00 0.00 C +ATOM 29 CA ILE A 29 255.247 243.691 240.548 1.00 0.00 C +ATOM 30 CA GLU A 30 253.605 247.129 240.475 1.00 0.00 C +ATOM 31 CA PRO A 31 250.112 246.826 241.966 1.00 0.00 C +ATOM 32 CA THR A 32 250.082 249.125 245.004 1.00 0.00 C +ATOM 33 CA THR A 33 251.953 252.340 244.177 1.00 0.00 C +ATOM 34 CA GLY A 34 253.624 255.561 243.017 1.00 0.00 C +ATOM 35 CA GLU A 35 253.631 259.285 243.822 1.00 0.00 C +ATOM 36 CA THR A 36 257.116 260.328 244.953 1.00 0.00 C +ATOM 37 CA HIS A 37 260.196 262.572 244.960 1.00 0.00 C +ATOM 38 CA LEU A 38 263.123 263.114 247.338 1.00 0.00 C +ATOM 39 CA ARG A 39 265.084 263.848 250.521 1.00 0.00 C +ATOM 40 CA HIS A 40 264.829 267.403 251.866 1.00 0.00 C +ATOM 41 CA HIS A 41 261.715 268.721 253.622 1.00 0.00 C +ATOM 42 CA ILE A 42 261.040 268.241 257.341 1.00 0.00 C +ATOM 43 CA SER A 43 259.266 269.597 260.429 1.00 0.00 C +ATOM 44 CA PRO A 44 255.713 270.597 261.371 1.00 0.00 C +ATOM 45 CA ASN A 45 252.457 272.157 262.589 1.00 0.00 C +ATOM 46 CA GLY A 46 252.457 272.492 266.384 1.00 0.00 C +ATOM 47 CA PHE A 47 252.060 270.561 269.644 1.00 0.00 C +ATOM 48 CA TYR A 48 250.495 267.096 269.887 1.00 0.00 C +ATOM 49 CA ARG A 49 250.003 263.681 271.504 1.00 0.00 C +ATOM 50 CA GLY A 50 251.352 260.165 270.929 1.00 0.00 C +ATOM 51 CA LYS A 51 251.335 258.028 274.083 1.00 0.00 C +ATOM 52 CA LYS A 52 250.349 254.353 273.894 1.00 0.00 C +ATOM 53 CA VAL A 53 250.908 250.602 273.531 1.00 0.00 C +ATOM 54 CA ILE A 54 249.389 249.511 270.212 1.00 0.00 C +ATOM 55 CA LYS A 55 249.358 251.018 266.713 1.00 0.00 C +ATOM 56 CA THR A 56 247.125 253.944 265.730 1.00 0.00 C +ATOM 57 CA LYS A 57 243.714 253.567 267.386 1.00 0.00 C +ATOM 58 CA ASN A 58 239.934 253.367 266.957 1.00 0.00 C +ATOM 59 CA ASP A 59 236.248 253.014 267.852 1.00 0.00 C +ATOM 60 CA ASP A 60 234.363 250.090 269.407 1.00 0.00 C +TER 61 ASP A 60 +END diff --git a/Bacteria/Q0AKJ0/Q0AKJ0.dcd b/Bacteria/Q0AKJ0/Q0AKJ0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..4aa4d335839caa9622460766d4d7107c2b7e750a --- /dev/null +++ b/Bacteria/Q0AKJ0/Q0AKJ0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c71bd96d7dab20460cf1b8ea7e0ccaa9ed232f7db8f9396352fbecaf29ccdad1 +size 9800276 diff --git a/Bacteria/Q0AKJ0/top.pdb b/Bacteria/Q0AKJ0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b42c90df8d36628b2c5db2ffa38d86e22c58f473 --- /dev/null +++ b/Bacteria/Q0AKJ0/top.pdb @@ -0,0 +1,79 @@ +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 1 239.711 241.849 224.649 1.00 0.00 C +ATOM 2 CA SER A 2 243.301 243.079 224.987 1.00 0.00 C +ATOM 3 CA ASP A 3 242.996 246.404 226.823 1.00 0.00 C +ATOM 4 CA ASP A 4 244.790 248.273 229.616 1.00 0.00 C +ATOM 5 CA ASP A 5 244.300 248.907 233.341 1.00 0.00 C +ATOM 6 CA GLN A 6 241.544 250.044 235.713 1.00 0.00 C +ATOM 7 CA GLN A 7 239.431 251.155 238.682 1.00 0.00 C +ATOM 8 CA ASP A 8 239.221 248.653 241.547 1.00 0.00 C +ATOM 9 CA GLY A 9 240.190 249.122 245.202 1.00 0.00 C +ATOM 10 CA THR A 10 239.631 249.812 248.907 1.00 0.00 C +ATOM 11 CA ASP A 11 240.044 246.483 250.714 1.00 0.00 C +ATOM 12 CA LYS A 12 240.148 242.779 251.600 1.00 0.00 C +ATOM 13 CA ALA A 13 238.285 239.724 252.910 1.00 0.00 C +ATOM 14 CA THR A 14 237.099 236.677 250.954 1.00 0.00 C +ATOM 15 CA ILE A 15 238.054 237.245 247.309 1.00 0.00 C +ATOM 16 CA PRO A 16 241.718 238.117 246.736 1.00 0.00 C +ATOM 17 CA SER A 17 244.993 236.819 248.188 1.00 0.00 C +ATOM 18 CA PRO A 18 246.288 236.287 251.731 1.00 0.00 C +ATOM 19 CA ASP A 19 243.940 236.366 254.730 1.00 0.00 C +ATOM 20 CA ALA A 20 242.929 232.862 255.832 1.00 0.00 C +ATOM 21 CA ALA A 21 242.701 229.112 255.193 1.00 0.00 C +ATOM 22 CA PRO A 22 246.275 227.804 255.364 1.00 0.00 C +ATOM 23 CA ARG A 23 248.838 230.408 254.283 1.00 0.00 C +ATOM 24 CA VAL A 24 251.737 228.906 252.321 1.00 0.00 C +ATOM 25 CA LEU A 25 250.920 229.007 248.601 1.00 0.00 C +ATOM 26 CA SER A 26 247.281 228.056 247.989 1.00 0.00 C +ATOM 27 CA PRO A 27 243.556 227.696 247.276 1.00 0.00 C +ATOM 28 CA GLU A 28 240.445 228.869 245.417 1.00 0.00 C +ATOM 29 CA ALA A 29 239.953 231.361 242.577 1.00 0.00 C +ATOM 30 CA ARG A 30 237.895 231.109 239.380 1.00 0.00 C +ATOM 31 CA ARG A 31 239.840 230.269 236.213 1.00 0.00 C +ATOM 32 CA ALA A 32 239.391 232.731 233.341 1.00 0.00 C +ATOM 33 CA LEU A 33 240.901 231.630 230.021 1.00 0.00 C +ATOM 34 CA ALA A 34 244.645 232.181 230.468 1.00 0.00 C +ATOM 35 CA GLU A 35 246.122 235.581 231.347 1.00 0.00 C +ATOM 36 CA ALA A 36 244.720 238.839 229.955 1.00 0.00 C +ATOM 37 CA GLU A 37 245.833 242.269 231.183 1.00 0.00 C +ATOM 38 CA GLU A 38 246.147 243.357 234.821 1.00 0.00 C +ATOM 39 CA ARG A 39 246.110 245.156 238.179 1.00 0.00 C +ATOM 40 CA ARG A 40 247.981 246.445 241.238 1.00 0.00 C +ATOM 41 CA LYS A 41 251.743 246.438 240.635 1.00 0.00 C +ATOM 42 CA ILE A 42 255.419 247.316 241.115 1.00 0.00 C +ATOM 43 CA ALA A 43 255.978 247.817 244.850 1.00 0.00 C +ATOM 44 CA ARG A 44 258.044 246.211 247.620 1.00 0.00 C +ATOM 45 CA GLN A 45 257.417 242.475 248.023 1.00 0.00 C +ATOM 46 CA ALA A 46 254.136 241.213 249.493 1.00 0.00 C +ATOM 47 CA GLU A 47 251.445 243.837 250.116 1.00 0.00 C +ATOM 48 CA LEU A 48 249.777 247.142 251.018 1.00 0.00 C +ATOM 49 CA ALA A 49 247.789 249.681 253.046 1.00 0.00 C +ATOM 50 CA PRO A 50 244.917 248.713 255.355 1.00 0.00 C +ATOM 51 CA GLU A 51 243.237 251.356 257.526 1.00 0.00 C +ATOM 52 CA THR A 52 241.656 252.354 260.845 1.00 0.00 C +ATOM 53 CA GLY A 53 242.299 253.820 264.303 1.00 0.00 C +ATOM 54 CA GLY A 54 245.440 255.969 264.118 1.00 0.00 C +ATOM 55 CA ARG A 55 247.923 258.777 264.798 1.00 0.00 C +ATOM 56 CA LYS A 56 250.436 261.641 264.827 1.00 0.00 C +ATOM 57 CA GLY A 57 253.540 262.023 262.652 1.00 0.00 C +ATOM 58 CA PRO A 58 254.327 265.543 261.422 1.00 0.00 C +ATOM 59 CA GLU A 59 256.190 267.408 258.671 1.00 0.00 C +ATOM 60 CA PRO A 60 256.777 271.141 259.154 1.00 0.00 C +ATOM 61 CA THR A 61 255.392 274.314 260.746 1.00 0.00 C +ATOM 62 CA ARG A 62 255.921 277.927 259.659 1.00 0.00 C +ATOM 63 CA PHE A 63 259.084 278.916 257.780 1.00 0.00 C +ATOM 64 CA GLY A 64 262.716 277.831 258.167 1.00 0.00 C +ATOM 65 CA ASP A 65 264.381 277.945 261.592 1.00 0.00 C +ATOM 66 CA TRP A 66 267.799 279.076 262.837 1.00 0.00 C +ATOM 67 CA GLU A 67 267.510 279.860 266.554 1.00 0.00 C +ATOM 68 CA LYS A 68 267.916 276.806 268.796 1.00 0.00 C +ATOM 69 CA LYS A 69 268.524 273.050 268.984 1.00 0.00 C +ATOM 70 CA GLY A 70 269.385 270.964 265.914 1.00 0.00 C +ATOM 71 CA ILE A 71 272.692 272.324 264.597 1.00 0.00 C +ATOM 72 CA ILE A 72 274.364 275.235 266.399 1.00 0.00 C +ATOM 73 CA CYS A 73 275.632 278.032 268.655 1.00 0.00 C +ATOM 74 CA ASP A 74 274.471 281.660 268.643 1.00 0.00 C +ATOM 75 CA PHE A 75 275.823 283.741 265.752 1.00 0.00 C +TER 76 PHE A 75 +END diff --git a/Bacteria/Q0AQL9/Q0AQL9.dcd b/Bacteria/Q0AQL9/Q0AQL9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..250d2da156df1ef5df949c0a92cf2648b9805338 --- /dev/null +++ b/Bacteria/Q0AQL9/Q0AQL9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e5f23aabb4906410b79c312c12b8ff717a89d8b7f7df61e7d90cd21436c1b22f +size 9560276 diff --git a/Bacteria/Q0AQL9/top.pdb b/Bacteria/Q0AQL9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ce89079cb8f8c2949189c81e18fc407621fccc07 --- /dev/null +++ b/Bacteria/Q0AQL9/top.pdb @@ -0,0 +1,77 @@ +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 1 239.376 226.115 230.954 1.00 0.00 C +ATOM 2 CA THR A 2 241.332 227.903 228.217 1.00 0.00 C +ATOM 3 CA ASN A 3 243.524 229.346 225.455 1.00 0.00 C +ATOM 4 CA CYS A 4 246.402 231.455 226.791 1.00 0.00 C +ATOM 5 CA MET A 5 249.313 233.576 225.550 1.00 0.00 C +ATOM 6 CA SER A 6 248.024 236.926 224.270 1.00 0.00 C +ATOM 7 CA LYS A 7 248.414 239.774 226.770 1.00 0.00 C +ATOM 8 CA PRO A 8 250.073 242.197 229.198 1.00 0.00 C +ATOM 9 CA SER A 9 253.153 240.838 230.982 1.00 0.00 C +ATOM 10 CA ASP A 10 254.490 243.771 233.014 1.00 0.00 C +ATOM 11 CA PRO A 11 256.596 246.736 231.881 1.00 0.00 C +ATOM 12 CA PRO A 12 259.134 247.994 229.333 1.00 0.00 C +ATOM 13 CA ALA A 13 259.367 251.791 229.551 1.00 0.00 C +ATOM 14 CA THR A 14 262.189 254.046 228.339 1.00 0.00 C +ATOM 15 CA PRO A 15 264.366 255.515 231.100 1.00 0.00 C +ATOM 16 CA PRO A 16 264.793 255.102 234.863 1.00 0.00 C +ATOM 17 CA ARG A 17 264.502 252.062 237.141 1.00 0.00 C +ATOM 18 CA ALA A 18 262.433 251.697 240.319 1.00 0.00 C +ATOM 19 CA LYS A 19 262.495 249.892 243.674 1.00 0.00 C +ATOM 20 CA ARG A 20 262.281 246.091 243.512 1.00 0.00 C +ATOM 21 CA ASP A 21 263.360 244.517 246.810 1.00 0.00 C +ATOM 22 CA LYS A 22 260.440 242.594 248.323 1.00 0.00 C +ATOM 23 CA PRO A 23 258.509 240.186 250.557 1.00 0.00 C +ATOM 24 CA ASP A 24 256.879 239.982 253.994 1.00 0.00 C +ATOM 25 CA PRO A 25 253.674 238.192 255.016 1.00 0.00 C +ATOM 26 CA ASN A 26 254.016 236.126 258.199 1.00 0.00 C +ATOM 27 CA SER A 27 254.283 238.450 261.207 1.00 0.00 C +ATOM 28 CA ARG A 28 256.967 236.890 263.416 1.00 0.00 C +ATOM 29 CA GLU A 29 257.247 239.276 266.373 1.00 0.00 C +ATOM 30 CA ALA A 30 256.423 242.955 265.821 1.00 0.00 C +ATOM 31 CA ARG A 31 256.511 246.261 263.930 1.00 0.00 C +ATOM 32 CA LEU A 32 254.968 248.940 261.702 1.00 0.00 C +ATOM 33 CA ALA A 33 255.528 252.699 261.968 1.00 0.00 C +ATOM 34 CA GLU A 34 258.910 254.439 261.736 1.00 0.00 C +ATOM 35 CA ALA A 35 259.833 254.350 258.041 1.00 0.00 C +ATOM 36 CA LEU A 36 258.536 254.417 254.460 1.00 0.00 C +ATOM 37 CA ARG A 37 258.362 251.900 251.605 1.00 0.00 C +ATOM 38 CA ALA A 38 258.381 251.498 247.816 1.00 0.00 C +ATOM 39 CA ASN A 39 254.806 251.387 246.504 1.00 0.00 C +ATOM 40 CA LEU A 40 253.648 253.224 243.374 1.00 0.00 C +ATOM 41 CA ARG A 41 250.327 254.740 242.282 1.00 0.00 C +ATOM 42 CA ARG A 42 248.805 256.754 245.135 1.00 0.00 C +ATOM 43 CA ARG A 43 246.593 257.843 248.040 1.00 0.00 C +ATOM 44 CA LYS A 44 243.964 257.920 250.796 1.00 0.00 C +ATOM 45 CA ALA A 45 245.060 255.192 253.219 1.00 0.00 C +ATOM 46 CA ALA A 46 248.196 255.184 255.383 1.00 0.00 C +ATOM 47 CA VAL A 47 250.436 252.208 256.185 1.00 0.00 C +ATOM 48 CA ARG A 48 251.048 249.010 254.207 1.00 0.00 C +ATOM 49 CA THR A 49 250.176 245.683 255.847 1.00 0.00 C +ATOM 50 CA PRO A 50 247.456 245.144 258.460 1.00 0.00 C +ATOM 51 CA VAL A 51 243.903 243.773 258.328 1.00 0.00 C +ATOM 52 CA GLU A 52 240.425 244.636 259.620 1.00 0.00 C +ATOM 53 CA GLU A 53 238.905 244.018 263.058 1.00 0.00 C +ATOM 54 CA ALA A 54 235.106 244.227 262.872 1.00 0.00 C +ATOM 55 CA PRO A 55 232.801 244.143 265.904 1.00 0.00 C +ATOM 56 CA GLU A 56 230.869 247.420 265.691 1.00 0.00 C +ATOM 57 CA ASN A 57 232.265 250.873 266.492 1.00 0.00 C +ATOM 58 CA ASP A 58 230.587 253.731 268.371 1.00 0.00 C +ATOM 59 CA SER A 59 231.523 257.232 267.194 1.00 0.00 C +ATOM 60 CA ASP A 60 231.148 260.490 265.254 1.00 0.00 C +ATOM 61 CA ALA A 61 234.094 262.117 263.469 1.00 0.00 C +ATOM 62 CA ALA A 62 235.388 262.566 259.914 1.00 0.00 C +ATOM 63 CA GLN A 63 235.791 259.596 257.562 1.00 0.00 C +ATOM 64 CA THR A 64 239.507 258.849 257.172 1.00 0.00 C +ATOM 65 CA ALA A 65 241.589 261.971 256.511 1.00 0.00 C +ATOM 66 CA SER A 66 243.317 265.365 256.612 1.00 0.00 C +ATOM 67 CA GLU A 67 244.764 266.633 259.900 1.00 0.00 C +ATOM 68 CA LYS A 68 247.344 269.423 259.622 1.00 0.00 C +ATOM 69 CA PRO A 69 248.167 270.216 255.988 1.00 0.00 C +ATOM 70 CA ALA A 70 251.428 271.572 254.560 1.00 0.00 C +ATOM 71 CA THR A 71 253.809 269.966 252.055 1.00 0.00 C +ATOM 72 CA PRO A 72 254.896 266.339 252.471 1.00 0.00 C +ATOM 73 CA SER A 73 256.776 264.059 250.065 1.00 0.00 C +TER 74 SER A 73 +END diff --git a/Bacteria/Q0ATU1/Q0ATU1.dcd b/Bacteria/Q0ATU1/Q0ATU1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..890eeda7057098b833faeb5ae77396247056444f --- /dev/null +++ b/Bacteria/Q0ATU1/Q0ATU1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7bdd66be744470f5d5a70bf9cc5e7e0c541661f3ca156b56a56e632058bb2f2b +size 6080276 diff --git a/Bacteria/Q0ATU1/top.pdb b/Bacteria/Q0ATU1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..dde067d33b44398b6495dfc266bbf0be9b40da1d --- /dev/null +++ b/Bacteria/Q0ATU1/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 MET A 1 241.324 258.146 234.673 1.00 0.00 C +ATOM 2 CA LYS A 2 243.411 255.012 234.088 1.00 0.00 C +ATOM 3 CA ARG A 3 247.076 254.981 233.046 1.00 0.00 C +ATOM 4 CA THR A 4 250.331 254.678 235.002 1.00 0.00 C +ATOM 5 CA PHE A 5 250.110 253.918 238.729 1.00 0.00 C +ATOM 6 CA GLN A 6 246.569 252.974 239.774 1.00 0.00 C +ATOM 7 CA PRO A 7 245.264 254.922 242.777 1.00 0.00 C +ATOM 8 CA LYS A 8 241.631 255.847 242.098 1.00 0.00 C +ATOM 9 CA ASN A 9 238.493 257.121 240.352 1.00 0.00 C +ATOM 10 CA ARG A 10 235.420 257.944 242.450 1.00 0.00 C +ATOM 11 CA GLN A 11 234.575 261.134 244.353 1.00 0.00 C +ATOM 12 CA ARG A 12 235.777 263.502 247.085 1.00 0.00 C +ATOM 13 CA LYS A 13 238.827 265.785 246.989 1.00 0.00 C +ATOM 14 CA ARG A 14 239.232 267.551 250.341 1.00 0.00 C +ATOM 15 CA GLU A 15 241.710 270.414 250.765 1.00 0.00 C +ATOM 16 CA HIS A 16 243.798 270.971 247.628 1.00 0.00 C +ATOM 17 CA GLY A 17 246.867 268.915 246.694 1.00 0.00 C +ATOM 18 CA PHE A 18 247.241 265.202 247.463 1.00 0.00 C +ATOM 19 CA ARG A 19 244.526 262.591 248.035 1.00 0.00 C +ATOM 20 CA ALA A 20 245.947 259.259 249.218 1.00 0.00 C +ATOM 21 CA ARG A 21 244.776 255.672 249.745 1.00 0.00 C +ATOM 22 CA MET A 22 245.706 252.165 248.582 1.00 0.00 C +ATOM 23 CA ALA A 23 249.409 251.782 249.392 1.00 0.00 C +ATOM 24 CA SER A 24 252.945 253.176 249.121 1.00 0.00 C +ATOM 25 CA ALA A 25 256.669 253.668 249.757 1.00 0.00 C +ATOM 26 CA GLY A 26 259.565 251.389 248.790 1.00 0.00 C +ATOM 27 CA GLY A 27 259.733 248.762 251.544 1.00 0.00 C +ATOM 28 CA ARG A 28 263.331 247.875 252.430 1.00 0.00 C +ATOM 29 CA LYS A 29 264.299 245.253 255.019 1.00 0.00 C +ATOM 30 CA VAL A 30 266.627 243.522 257.489 1.00 0.00 C +ATOM 31 CA LEU A 31 268.494 240.412 258.655 1.00 0.00 C +ATOM 32 CA ALA A 32 269.416 236.719 258.489 1.00 0.00 C +ATOM 33 CA ASN A 33 268.427 233.055 258.153 1.00 0.00 C +ATOM 34 CA ARG A 34 265.439 230.692 258.178 1.00 0.00 C +ATOM 35 CA ARG A 35 262.411 232.846 259.021 1.00 0.00 C +ATOM 36 CA LYS A 36 259.601 235.380 259.468 1.00 0.00 C +ATOM 37 CA LYS A 37 257.507 238.515 260.013 1.00 0.00 C +ATOM 38 CA GLY A 38 254.810 238.458 262.704 1.00 0.00 C +ATOM 39 CA ARG A 39 251.056 238.845 262.182 1.00 0.00 C +ATOM 40 CA LYS A 40 247.987 237.574 260.315 1.00 0.00 C +ATOM 41 CA SER A 41 246.596 235.197 257.683 1.00 0.00 C +ATOM 42 CA ILE A 42 244.773 231.909 257.062 1.00 0.00 C +ATOM 43 CA SER A 43 241.704 229.839 257.961 1.00 0.00 C +ATOM 44 CA ALA A 44 240.591 226.425 256.687 1.00 0.00 C +TER 45 ALA A 44 +END diff --git a/Bacteria/Q0B1G2/Q0B1G2.dcd b/Bacteria/Q0B1G2/Q0B1G2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..0cef8cf87b31bd42b475ab4b862fb66dc897e425 --- /dev/null +++ b/Bacteria/Q0B1G2/Q0B1G2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9ca8aa4848540bea3b9cdb939738e999b592bbddf8e08ea6b5d87fcc09e7ec87 +size 14000276 diff --git a/Bacteria/Q0B1G2/top.pdb b/Bacteria/Q0B1G2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2c9c261497fe13ebd769f7a7ac52598bdc5b69c4 --- /dev/null +++ b/Bacteria/Q0B1G2/top.pdb @@ -0,0 +1,114 @@ +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 1 270.184 268.186 239.166 1.00 0.00 C +ATOM 2 CA HIS A 2 273.332 270.150 238.299 1.00 0.00 C +ATOM 3 CA ARG A 3 277.053 269.407 238.640 1.00 0.00 C +ATOM 4 CA ASN A 4 278.808 270.154 241.938 1.00 0.00 C +ATOM 5 CA LEU A 5 278.558 268.768 245.479 1.00 0.00 C +ATOM 6 CA LYS A 6 279.403 271.413 248.088 1.00 0.00 C +ATOM 7 CA ALA A 7 279.486 274.019 250.866 1.00 0.00 C +ATOM 8 CA ARG A 8 283.187 274.520 251.620 1.00 0.00 C +ATOM 9 CA GLY A 9 285.889 271.839 251.799 1.00 0.00 C +ATOM 10 CA PRO A 10 286.905 271.608 255.463 1.00 0.00 C +ATOM 11 CA ASN A 11 283.959 270.952 257.790 1.00 0.00 C +ATOM 12 CA ALA A 12 281.095 273.284 258.724 1.00 0.00 C +ATOM 13 CA ARG A 13 281.964 275.064 261.978 1.00 0.00 C +ATOM 14 CA ALA A 14 282.617 278.775 262.541 1.00 0.00 C +ATOM 15 CA ALA A 15 279.758 280.627 260.835 1.00 0.00 C +ATOM 16 CA TYR A 16 276.226 280.753 259.411 1.00 0.00 C +ATOM 17 CA ALA A 17 276.160 283.939 257.322 1.00 0.00 C +ATOM 18 CA GLY A 18 274.957 286.697 259.659 1.00 0.00 C +ATOM 19 CA ASP A 19 276.258 290.227 260.258 1.00 0.00 C +ATOM 20 CA ALA A 20 276.671 293.299 258.041 1.00 0.00 C +ATOM 21 CA ARG A 21 276.300 296.820 259.447 1.00 0.00 C +ATOM 22 CA ASN A 22 272.994 298.594 258.786 1.00 0.00 C +ATOM 23 CA TYR A 23 269.428 297.604 257.880 1.00 0.00 C +ATOM 24 CA THR A 24 267.379 300.761 257.284 1.00 0.00 C +ATOM 25 CA GLY A 25 263.818 302.091 257.538 1.00 0.00 C +ATOM 26 CA TRP A 26 262.132 305.050 255.831 1.00 0.00 C +ATOM 27 CA ARG A 27 261.403 305.309 252.100 1.00 0.00 C +ATOM 28 CA PRO A 28 261.491 302.421 249.617 1.00 0.00 C +ATOM 29 CA PRO A 29 261.172 298.636 249.318 1.00 0.00 C +ATOM 30 CA ALA A 30 259.441 295.273 249.775 1.00 0.00 C +ATOM 31 CA CYS A 31 256.980 294.703 246.923 1.00 0.00 C +ATOM 32 CA PRO A 32 257.772 294.495 243.202 1.00 0.00 C +ATOM 33 CA SER A 33 260.430 292.398 241.455 1.00 0.00 C +ATOM 34 CA ARG A 34 262.480 292.912 238.285 1.00 0.00 C +ATOM 35 CA ARG A 35 263.982 291.759 234.979 1.00 0.00 C +ATOM 36 CA ALA A 36 264.502 288.004 235.367 1.00 0.00 C +ATOM 37 CA PRO A 37 264.463 284.643 233.574 1.00 0.00 C +ATOM 38 CA ALA A 38 265.708 281.925 235.936 1.00 0.00 C +ATOM 39 CA ILE A 39 268.908 279.966 236.599 1.00 0.00 C +ATOM 40 CA ARG A 40 269.964 277.983 239.676 1.00 0.00 C +ATOM 41 CA PRO A 41 267.661 275.381 241.238 1.00 0.00 C +ATOM 42 CA ALA A 42 263.951 274.856 241.929 1.00 0.00 C +ATOM 43 CA THR A 43 262.675 273.010 238.850 1.00 0.00 C +ATOM 44 CA GLN A 44 258.876 273.282 238.746 1.00 0.00 C +ATOM 45 CA THR A 45 255.294 272.233 237.981 1.00 0.00 C +ATOM 46 CA GLU A 46 253.527 269.151 239.357 1.00 0.00 C +ATOM 47 CA LEU A 47 255.669 266.003 239.226 1.00 0.00 C +ATOM 48 CA PRO A 48 255.279 264.011 242.451 1.00 0.00 C +ATOM 49 CA HIS A 49 254.580 261.800 245.474 1.00 0.00 C +ATOM 50 CA PRO A 50 253.827 258.213 244.435 1.00 0.00 C +ATOM 51 CA VAL A 51 254.332 256.836 240.919 1.00 0.00 C +ATOM 52 CA THR A 52 251.735 257.538 238.220 1.00 0.00 C +ATOM 53 CA SER A 53 253.283 257.051 234.773 1.00 0.00 C +ATOM 54 CA PRO A 54 256.011 254.520 233.955 1.00 0.00 C +ATOM 55 CA SER A 55 257.820 254.650 230.604 1.00 0.00 C +ATOM 56 CA SER A 56 255.847 256.845 228.194 1.00 0.00 C +ATOM 57 CA PRO A 57 254.138 255.355 225.132 1.00 0.00 C +ATOM 58 CA ALA A 58 252.844 251.915 226.134 1.00 0.00 C +ATOM 59 CA THR A 59 252.289 248.421 227.550 1.00 0.00 C +ATOM 60 CA THR A 60 250.636 245.828 229.799 1.00 0.00 C +ATOM 61 CA ARG A 61 250.717 247.352 233.290 1.00 0.00 C +ATOM 62 CA GLY A 62 247.737 249.325 234.613 1.00 0.00 C +ATOM 63 CA GLY A 63 244.500 251.319 234.844 1.00 0.00 C +ATOM 64 CA ALA A 64 241.434 249.124 235.391 1.00 0.00 C +ATOM 65 CA GLY A 65 242.308 245.723 233.913 1.00 0.00 C +ATOM 66 CA THR A 66 244.339 242.509 233.668 1.00 0.00 C +ATOM 67 CA ARG A 67 246.957 241.074 231.300 1.00 0.00 C +ATOM 68 CA GLY A 68 246.363 237.789 229.464 1.00 0.00 C +ATOM 69 CA SER A 69 245.535 234.591 227.567 1.00 0.00 C +ATOM 70 CA HIS A 70 242.699 232.688 229.256 1.00 0.00 C +ATOM 71 CA SER A 71 243.592 229.344 230.849 1.00 0.00 C +ATOM 72 CA HIS A 72 243.628 226.778 233.665 1.00 0.00 C +ATOM 73 CA SER A 73 244.933 223.436 234.949 1.00 0.00 C +ATOM 74 CA GLY A 74 244.239 223.530 238.694 1.00 0.00 C +ATOM 75 CA THR A 75 240.946 225.242 239.558 1.00 0.00 C +ATOM 76 CA SER A 76 237.579 223.823 238.479 1.00 0.00 C +ATOM 77 CA ALA A 77 236.042 220.585 237.188 1.00 0.00 C +ATOM 78 CA GLY A 78 233.689 218.417 239.257 1.00 0.00 C +ATOM 79 CA GLY A 79 232.329 217.316 242.641 1.00 0.00 C +ATOM 80 CA ALA A 80 229.924 214.683 243.984 1.00 0.00 C +ATOM 81 CA ARG A 81 226.719 215.334 245.937 1.00 0.00 C +ATOM 82 CA ARG A 82 227.652 215.592 249.622 1.00 0.00 C +ATOM 83 CA ALA A 83 226.284 214.497 253.006 1.00 0.00 C +ATOM 84 CA PRO A 84 223.524 212.620 254.843 1.00 0.00 C +ATOM 85 CA GLY A 85 220.584 214.945 255.526 1.00 0.00 C +ATOM 86 CA ILE A 86 219.475 217.571 258.054 1.00 0.00 C +ATOM 87 CA ASP A 87 218.541 219.020 261.452 1.00 0.00 C +ATOM 88 CA VAL A 88 215.612 219.044 263.889 1.00 0.00 C +ATOM 89 CA ARG A 89 213.313 220.684 266.446 1.00 0.00 C +ATOM 90 CA ALA A 90 211.828 221.711 269.802 1.00 0.00 C +ATOM 91 CA TRP A 91 210.331 218.643 271.493 1.00 0.00 C +ATOM 92 CA ARG A 92 208.379 216.859 274.236 1.00 0.00 C +ATOM 93 CA ASP A 93 209.484 213.213 274.173 1.00 0.00 C +ATOM 94 CA GLY A 94 212.015 210.638 272.958 1.00 0.00 C +ATOM 95 CA ILE A 95 215.821 210.741 272.803 1.00 0.00 C +ATOM 96 CA THR A 96 219.245 210.947 274.461 1.00 0.00 C +ATOM 97 CA PRO A 97 219.356 209.046 277.761 1.00 0.00 C +ATOM 98 CA PRO A 98 221.779 206.161 277.194 1.00 0.00 C +ATOM 99 CA THR A 99 224.972 205.682 279.215 1.00 0.00 C +ATOM 100 CA ARG A 100 228.658 206.181 278.387 1.00 0.00 C +ATOM 101 CA THR A 101 231.268 203.409 278.527 1.00 0.00 C +ATOM 102 CA ALA A 102 232.652 199.932 277.813 1.00 0.00 C +ATOM 103 CA ARG A 103 232.385 198.309 274.376 1.00 0.00 C +ATOM 104 CA ASN A 104 229.098 198.681 272.486 1.00 0.00 C +ATOM 105 CA ARG A 105 226.187 196.224 272.421 1.00 0.00 C +ATOM 106 CA ARG A 106 225.526 193.640 275.142 1.00 0.00 C +ATOM 107 CA SER A 107 227.328 190.286 275.276 1.00 0.00 C +ATOM 108 CA SER A 108 227.856 187.037 273.358 1.00 0.00 C +ATOM 109 CA ILE A 109 229.523 183.618 273.585 1.00 0.00 C +ATOM 110 CA SER A 110 231.622 183.164 276.732 1.00 0.00 C +TER 111 SER A 110 +END diff --git a/Bacteria/Q0B279/Q0B279.dcd b/Bacteria/Q0B279/Q0B279.dcd new file mode 100644 index 0000000000000000000000000000000000000000..29ba41d4bf56132480d7fb0efbae322121ac1f83 --- /dev/null +++ b/Bacteria/Q0B279/Q0B279.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:60eb6fc06e46121ff19aca571509031a3d9414b39ccccb23a6b1c6f59931860c +size 11960276 diff --git a/Bacteria/Q0B279/top.pdb b/Bacteria/Q0B279/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9780675dfa618952d9b2e778f57e28509bb42ae9 --- /dev/null +++ b/Bacteria/Q0B279/top.pdb @@ -0,0 +1,97 @@ +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 1 276.992 276.099 257.674 1.00 0.00 C +ATOM 2 CA SER A 2 274.190 274.084 256.060 1.00 0.00 C +ATOM 3 CA ASP A 3 270.652 275.489 255.912 1.00 0.00 C +ATOM 4 CA ASP A 4 268.000 276.852 258.284 1.00 0.00 C +ATOM 5 CA THR A 5 266.199 278.000 261.439 1.00 0.00 C +ATOM 6 CA MET A 6 264.622 275.249 263.551 1.00 0.00 C +ATOM 7 CA HIS A 7 260.909 274.959 262.746 1.00 0.00 C +ATOM 8 CA GLY A 8 257.873 275.245 265.031 1.00 0.00 C +ATOM 9 CA ASP A 9 256.605 277.882 267.471 1.00 0.00 C +ATOM 10 CA ASP A 10 254.613 281.117 267.192 1.00 0.00 C +ATOM 11 CA ARG A 11 253.386 284.442 265.794 1.00 0.00 C +ATOM 12 CA GLY A 12 254.994 287.764 264.848 1.00 0.00 C +ATOM 13 CA LEU A 13 256.744 287.968 261.470 1.00 0.00 C +ATOM 14 CA SER A 14 255.829 285.766 258.498 1.00 0.00 C +ATOM 15 CA ASN A 15 256.434 282.234 257.205 1.00 0.00 C +ATOM 16 CA HIS A 16 254.674 280.533 254.285 1.00 0.00 C +ATOM 17 CA GLY A 17 251.127 279.246 253.757 1.00 0.00 C +ATOM 18 CA SER A 18 248.577 280.572 256.259 1.00 0.00 C +ATOM 19 CA ARG A 19 247.780 284.298 256.205 1.00 0.00 C +ATOM 20 CA ALA A 20 246.117 287.257 257.935 1.00 0.00 C +ATOM 21 CA ARG A 21 245.824 290.462 255.897 1.00 0.00 C +ATOM 22 CA ARG A 22 243.359 292.711 254.057 1.00 0.00 C +ATOM 23 CA SER A 23 240.210 294.853 254.147 1.00 0.00 C +ATOM 24 CA GLY A 24 236.987 295.096 252.128 1.00 0.00 C +ATOM 25 CA GLY A 25 234.860 292.660 250.113 1.00 0.00 C +ATOM 26 CA GLY A 26 234.251 289.520 252.183 1.00 0.00 C +ATOM 27 CA MET A 27 233.418 287.112 255.016 1.00 0.00 C +ATOM 28 CA PRO A 28 234.352 283.952 256.927 1.00 0.00 C +ATOM 29 CA GLY A 29 232.114 283.170 259.910 1.00 0.00 C +ATOM 30 CA ASP A 30 230.008 281.200 262.400 1.00 0.00 C +ATOM 31 CA ALA A 31 230.878 279.177 265.509 1.00 0.00 C +ATOM 32 CA ALA A 32 228.757 276.189 266.551 1.00 0.00 C +ATOM 33 CA ARG A 33 231.226 273.321 266.993 1.00 0.00 C +ATOM 34 CA LYS A 34 232.966 270.096 265.949 1.00 0.00 C +ATOM 35 CA ASN A 35 233.927 266.575 267.042 1.00 0.00 C +ATOM 36 CA ALA A 36 231.382 263.758 266.721 1.00 0.00 C +ATOM 37 CA CYS A 37 228.427 261.731 268.015 1.00 0.00 C +ATOM 38 CA ALA A 38 229.434 258.306 269.345 1.00 0.00 C +ATOM 39 CA ARG A 39 229.248 255.275 271.647 1.00 0.00 C +ATOM 40 CA ARG A 40 232.074 252.900 270.705 1.00 0.00 C +ATOM 41 CA ARG A 41 234.876 251.268 272.705 1.00 0.00 C +ATOM 42 CA ALA A 42 236.219 248.213 270.867 1.00 0.00 C +ATOM 43 CA GLY A 43 237.018 249.472 267.361 1.00 0.00 C +ATOM 44 CA PRO A 44 234.324 250.584 264.907 1.00 0.00 C +ATOM 45 CA TRP A 45 234.916 251.444 261.243 1.00 0.00 C +ATOM 46 CA ALA A 46 231.805 251.117 259.068 1.00 0.00 C +ATOM 47 CA ALA A 47 228.359 250.637 260.623 1.00 0.00 C +ATOM 48 CA ASN A 48 226.516 247.303 260.543 1.00 0.00 C +ATOM 49 CA SER A 49 225.926 244.490 258.042 1.00 0.00 C +ATOM 50 CA ASN A 50 225.579 246.029 254.574 1.00 0.00 C +ATOM 51 CA PHE A 51 226.238 243.629 251.689 1.00 0.00 C +ATOM 52 CA MET A 52 228.033 240.391 252.589 1.00 0.00 C +ATOM 53 CA ARG A 53 231.679 239.477 251.967 1.00 0.00 C +ATOM 54 CA LYS A 54 232.630 236.180 253.623 1.00 0.00 C +ATOM 55 CA ARG A 55 236.063 236.657 255.205 1.00 0.00 C +ATOM 56 CA ARG A 56 238.723 235.752 252.631 1.00 0.00 C +ATOM 57 CA TRP A 57 240.723 232.520 252.363 1.00 0.00 C +ATOM 58 CA THR A 58 243.013 230.455 250.126 1.00 0.00 C +ATOM 59 CA LYS A 59 241.891 227.055 248.823 1.00 0.00 C +ATOM 60 CA ALA A 60 239.798 226.385 245.710 1.00 0.00 C +ATOM 61 CA ALA A 61 239.151 222.818 244.538 1.00 0.00 C +ATOM 62 CA PRO A 62 241.964 220.729 246.035 1.00 0.00 C +ATOM 63 CA ASN A 63 243.959 219.548 243.011 1.00 0.00 C +ATOM 64 CA ALA A 64 245.357 216.005 243.092 1.00 0.00 C +ATOM 65 CA PRO A 65 248.840 216.159 244.630 1.00 0.00 C +ATOM 66 CA GLY A 66 250.962 218.920 243.084 1.00 0.00 C +ATOM 67 CA GLY A 67 253.782 217.811 240.773 1.00 0.00 C +ATOM 68 CA PRO A 68 257.116 216.161 239.952 1.00 0.00 C +ATOM 69 CA SER A 69 257.098 212.456 240.838 1.00 0.00 C +ATOM 70 CA TRP A 70 253.780 210.768 240.029 1.00 0.00 C +ATOM 71 CA VAL A 71 250.926 211.381 237.580 1.00 0.00 C +ATOM 72 CA ILE A 72 250.441 213.503 234.454 1.00 0.00 C +ATOM 73 CA GLN A 73 251.876 217.031 234.536 1.00 0.00 C +ATOM 74 CA GLU A 74 251.917 220.774 233.827 1.00 0.00 C +ATOM 75 CA GLU A 75 254.866 222.093 235.848 1.00 0.00 C +ATOM 76 CA ASP A 76 257.935 220.068 234.851 1.00 0.00 C +ATOM 77 CA ASP A 77 261.070 217.997 235.480 1.00 0.00 C +ATOM 78 CA VAL A 78 262.768 215.927 232.768 1.00 0.00 C +ATOM 79 CA VAL A 79 261.744 213.990 229.652 1.00 0.00 C +ATOM 80 CA ARG A 80 262.504 216.022 226.520 1.00 0.00 C +ATOM 81 CA PRO A 81 266.194 216.254 225.600 1.00 0.00 C +ATOM 82 CA ARG A 82 269.525 215.541 223.892 1.00 0.00 C +ATOM 83 CA GLY A 83 272.898 216.059 222.198 1.00 0.00 C +ATOM 84 CA MET A 84 274.586 219.328 221.210 1.00 0.00 C +ATOM 85 CA LYS A 85 277.427 221.834 220.807 1.00 0.00 C +ATOM 86 CA HIS A 86 278.554 225.473 220.888 1.00 0.00 C +ATOM 87 CA ALA A 87 280.798 226.786 223.674 1.00 0.00 C +ATOM 88 CA PRO A 88 283.165 229.686 224.381 1.00 0.00 C +ATOM 89 CA PRO A 89 285.966 229.211 226.919 1.00 0.00 C +ATOM 90 CA ASP A 90 289.757 228.836 226.833 1.00 0.00 C +ATOM 91 CA ARG A 91 293.335 228.135 225.730 1.00 0.00 C +ATOM 92 CA GLY A 92 296.858 228.551 224.340 1.00 0.00 C +ATOM 93 CA ARG A 93 298.534 231.969 224.501 1.00 0.00 C +TER 94 ARG A 93 +END diff --git a/Bacteria/Q0B3C7/Q0B3C7.dcd b/Bacteria/Q0B3C7/Q0B3C7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..2936e909f142ae2491e14af24364c0980a38116f --- /dev/null +++ b/Bacteria/Q0B3C7/Q0B3C7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:31857b932f503fb1786b0cf15913271f71c24901f1b9d9dd7b932455da0eaafc +size 14480276 diff --git a/Bacteria/Q0B3C7/top.pdb b/Bacteria/Q0B3C7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..310ae01dc97f2c22477cbd473e03029c8cfd25d9 --- /dev/null +++ b/Bacteria/Q0B3C7/top.pdb @@ -0,0 +1,118 @@ +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 1 234.511 244.684 220.394 1.00 0.00 C +ATOM 2 CA CYS A 2 233.458 241.474 218.632 1.00 0.00 C +ATOM 3 CA HIS A 3 234.570 241.393 214.989 1.00 0.00 C +ATOM 4 CA ALA A 4 238.164 240.536 214.057 1.00 0.00 C +ATOM 5 CA ARG A 5 241.506 240.184 215.852 1.00 0.00 C +ATOM 6 CA PRO A 6 242.130 236.429 216.019 1.00 0.00 C +ATOM 7 CA ARG A 7 241.932 235.137 212.440 1.00 0.00 C +ATOM 8 CA GLY A 8 244.742 233.366 210.573 1.00 0.00 C +ATOM 9 CA ALA A 9 247.597 232.069 208.409 1.00 0.00 C +ATOM 10 CA THR A 10 250.877 230.507 209.556 1.00 0.00 C +ATOM 11 CA ARG A 11 254.226 231.794 208.271 1.00 0.00 C +ATOM 12 CA LEU A 12 256.436 233.797 210.641 1.00 0.00 C +ATOM 13 CA GLU A 13 258.269 232.247 213.600 1.00 0.00 C +ATOM 14 CA ALA A 14 261.233 231.894 215.967 1.00 0.00 C +ATOM 15 CA GLY A 15 260.914 234.472 218.754 1.00 0.00 C +ATOM 16 CA SER A 16 259.733 233.407 222.216 1.00 0.00 C +ATOM 17 CA THR A 17 258.878 233.089 225.915 1.00 0.00 C +ATOM 18 CA GLY A 18 258.256 234.843 229.240 1.00 0.00 C +ATOM 19 CA PRO A 19 256.707 232.312 231.630 1.00 0.00 C +ATOM 20 CA SER A 20 253.502 232.597 233.670 1.00 0.00 C +ATOM 21 CA ALA A 21 251.726 229.995 235.811 1.00 0.00 C +ATOM 22 CA SER A 22 248.861 227.482 235.808 1.00 0.00 C +ATOM 23 CA GLN A 23 245.060 227.302 236.000 1.00 0.00 C +ATOM 24 CA GLY A 24 242.039 225.009 235.635 1.00 0.00 C +ATOM 25 CA ASP A 25 242.197 221.204 235.525 1.00 0.00 C +ATOM 26 CA ILE A 26 244.039 218.524 237.511 1.00 0.00 C +ATOM 27 CA GLU A 27 244.523 216.935 240.940 1.00 0.00 C +ATOM 28 CA PRO A 28 247.326 217.048 243.518 1.00 0.00 C +ATOM 29 CA ALA A 29 245.937 219.145 246.379 1.00 0.00 C +ATOM 30 CA ARG A 30 247.037 222.204 248.366 1.00 0.00 C +ATOM 31 CA ARG A 31 249.312 224.805 249.970 1.00 0.00 C +ATOM 32 CA GLN A 32 252.589 225.186 248.065 1.00 0.00 C +ATOM 33 CA MET A 33 255.518 224.269 245.806 1.00 0.00 C +ATOM 34 CA PRO A 34 258.389 226.527 244.722 1.00 0.00 C +ATOM 35 CA VAL A 35 257.124 229.967 243.684 1.00 0.00 C +ATOM 36 CA MET A 36 254.062 231.612 245.244 1.00 0.00 C +ATOM 37 CA VAL A 37 250.287 231.876 245.693 1.00 0.00 C +ATOM 38 CA ARG A 38 248.152 231.925 248.848 1.00 0.00 C +ATOM 39 CA VAL A 39 248.564 232.579 252.579 1.00 0.00 C +ATOM 40 CA PHE A 40 248.224 233.772 256.181 1.00 0.00 C +ATOM 41 CA ASP A 41 245.248 236.000 257.013 1.00 0.00 C +ATOM 42 CA ARG A 42 243.998 239.277 258.501 1.00 0.00 C +ATOM 43 CA ALA A 43 242.538 242.061 256.347 1.00 0.00 C +ATOM 44 CA SER A 44 242.964 241.041 252.701 1.00 0.00 C +ATOM 45 CA GLY A 45 243.010 242.128 249.050 1.00 0.00 C +ATOM 46 CA PRO A 46 240.550 240.246 246.831 1.00 0.00 C +ATOM 47 CA GLY A 47 236.934 240.231 248.031 1.00 0.00 C +ATOM 48 CA PRO A 48 234.105 242.652 247.222 1.00 0.00 C +ATOM 49 CA ALA A 49 233.751 246.301 248.258 1.00 0.00 C +ATOM 50 CA ILE A 50 235.515 248.718 250.617 1.00 0.00 C +ATOM 51 CA LEU A 51 236.492 251.615 252.890 1.00 0.00 C +ATOM 52 CA ALA A 52 238.892 254.142 254.428 1.00 0.00 C +ATOM 53 CA GLY A 53 240.464 256.562 251.940 1.00 0.00 C +ATOM 54 CA SER A 54 240.467 258.560 248.696 1.00 0.00 C +ATOM 55 CA ARG A 55 237.012 259.712 247.577 1.00 0.00 C +ATOM 56 CA THR A 56 233.421 259.634 248.845 1.00 0.00 C +ATOM 57 CA ARG A 57 232.449 260.396 252.449 1.00 0.00 C +ATOM 58 CA ARG A 58 231.734 264.126 252.751 1.00 0.00 C +ATOM 59 CA SER A 59 232.155 267.722 251.563 1.00 0.00 C +ATOM 60 CA ARG A 60 235.530 268.730 250.113 1.00 0.00 C +ATOM 61 CA ARG A 61 238.374 269.753 247.793 1.00 0.00 C +ATOM 62 CA ILE A 62 240.378 272.485 249.535 1.00 0.00 C +ATOM 63 CA SER A 63 242.497 275.443 250.665 1.00 0.00 C +ATOM 64 CA MET A 64 244.484 278.694 250.613 1.00 0.00 C +ATOM 65 CA THR A 65 247.292 280.128 248.474 1.00 0.00 C +ATOM 66 CA GLN A 66 249.235 282.891 246.712 1.00 0.00 C +ATOM 67 CA TYR A 67 248.277 285.644 244.258 1.00 0.00 C +ATOM 68 CA GLN A 68 248.268 285.522 240.450 1.00 0.00 C +ATOM 69 CA SER A 69 251.133 283.235 239.412 1.00 0.00 C +ATOM 70 CA ARG A 70 254.800 282.206 239.302 1.00 0.00 C +ATOM 71 CA GLY A 71 258.439 283.325 239.154 1.00 0.00 C +ATOM 72 CA ASN A 72 260.844 280.782 240.658 1.00 0.00 C +ATOM 73 CA LYS A 73 259.748 277.437 242.115 1.00 0.00 C +ATOM 74 CA ALA A 74 257.290 275.564 244.343 1.00 0.00 C +ATOM 75 CA PRO A 75 256.533 272.728 246.773 1.00 0.00 C +ATOM 76 CA PRO A 76 258.145 269.509 248.021 1.00 0.00 C +ATOM 77 CA ARG A 77 257.670 269.010 251.768 1.00 0.00 C +ATOM 78 CA THR A 78 255.128 266.973 253.745 1.00 0.00 C +ATOM 79 CA LYS A 79 255.025 265.320 257.176 1.00 0.00 C +ATOM 80 CA GLN A 80 252.656 262.337 257.122 1.00 0.00 C +ATOM 81 CA PRO A 81 250.578 261.876 253.962 1.00 0.00 C +ATOM 82 CA PRO A 82 246.963 261.653 252.780 1.00 0.00 C +ATOM 83 CA MET A 83 246.026 264.372 250.281 1.00 0.00 C +ATOM 84 CA LEU A 84 242.735 265.763 251.605 1.00 0.00 C +ATOM 85 CA PRO A 85 242.142 268.435 254.255 1.00 0.00 C +ATOM 86 CA LYS A 86 238.518 268.243 255.417 1.00 0.00 C +ATOM 87 CA LEU A 87 238.101 265.090 257.515 1.00 0.00 C +ATOM 88 CA GLY A 88 240.209 261.962 256.979 1.00 0.00 C +ATOM 89 CA THR A 89 241.459 260.002 259.998 1.00 0.00 C +ATOM 90 CA ALA A 90 244.979 260.954 261.101 1.00 0.00 C +ATOM 91 CA LEU A 91 248.262 259.077 260.641 1.00 0.00 C +ATOM 92 CA ASN A 92 251.261 258.119 262.787 1.00 0.00 C +ATOM 93 CA TRP A 93 250.954 256.898 266.383 1.00 0.00 C +ATOM 94 CA VAL A 94 247.753 254.903 266.921 1.00 0.00 C +ATOM 95 CA PRO A 95 247.624 251.151 267.570 1.00 0.00 C +ATOM 96 CA PRO A 96 248.982 250.124 270.979 1.00 0.00 C +ATOM 97 CA LYS A 97 252.067 252.197 271.815 1.00 0.00 C +ATOM 98 CA GLU A 98 252.245 253.971 275.183 1.00 0.00 C +ATOM 99 CA SER A 99 255.340 256.024 276.032 1.00 0.00 C +ATOM 100 CA SER A 100 257.750 254.997 278.798 1.00 0.00 C +ATOM 101 CA ILE A 101 260.640 253.717 280.925 1.00 0.00 C +ATOM 102 CA THR A 102 263.144 250.943 280.184 1.00 0.00 C +ATOM 103 CA LYS A 103 266.195 251.177 282.455 1.00 0.00 C +ATOM 104 CA THR A 104 265.991 254.653 284.002 1.00 0.00 C +ATOM 105 CA GLN A 105 266.811 258.362 284.300 1.00 0.00 C +ATOM 106 CA GLN A 106 269.033 259.137 287.296 1.00 0.00 C +ATOM 107 CA LYS A 107 267.457 257.297 290.237 1.00 0.00 C +ATOM 108 CA LYS A 108 268.292 255.238 293.332 1.00 0.00 C +ATOM 109 CA ARG A 109 270.077 251.929 293.949 1.00 0.00 C +ATOM 110 CA THR A 110 272.704 251.666 296.697 1.00 0.00 C +ATOM 111 CA THR A 111 276.387 252.448 297.277 1.00 0.00 C +ATOM 112 CA SER A 112 279.105 252.925 294.650 1.00 0.00 C +ATOM 113 CA ALA A 113 282.303 251.113 295.654 1.00 0.00 C +ATOM 114 CA GLN A 114 285.862 251.148 297.013 1.00 0.00 C +TER 115 GLN A 114 +END diff --git a/Bacteria/Q0B3R9/Q0B3R9.dcd b/Bacteria/Q0B3R9/Q0B3R9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..106b2c28fae61cad675ddfabc75ed1a5b3143db6 --- /dev/null +++ b/Bacteria/Q0B3R9/Q0B3R9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:34dfa122e6b24b49e18af796e524c5b8bb69fe5fecb840119ccba78b8db85884 +size 15320276 diff --git a/Bacteria/Q0B3R9/top.pdb b/Bacteria/Q0B3R9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..638ecb113d6624dd0f0b397d73510c7d05def0b0 --- /dev/null +++ b/Bacteria/Q0B3R9/top.pdb @@ -0,0 +1,125 @@ +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 1 251.986 261.336 263.048 1.00 0.00 C +ATOM 2 CA ASN A 2 249.387 262.986 260.803 1.00 0.00 C +ATOM 3 CA SER A 3 247.393 261.592 257.871 1.00 0.00 C +ATOM 4 CA THR A 4 247.304 261.892 254.074 1.00 0.00 C +ATOM 5 CA LEU A 5 249.148 259.485 251.767 1.00 0.00 C +ATOM 6 CA ASN A 6 249.870 256.067 253.289 1.00 0.00 C +ATOM 7 CA PRO A 7 248.049 253.023 254.679 1.00 0.00 C +ATOM 8 CA ASP A 8 246.058 253.198 257.923 1.00 0.00 C +ATOM 9 CA ASN A 9 243.454 252.642 260.647 1.00 0.00 C +ATOM 10 CA GLU A 10 242.923 248.947 261.409 1.00 0.00 C +ATOM 11 CA PRO A 11 245.631 246.704 259.941 1.00 0.00 C +ATOM 12 CA VAL A 12 244.249 245.488 256.605 1.00 0.00 C +ATOM 13 CA GLY A 13 246.013 243.265 254.063 1.00 0.00 C +ATOM 14 CA PRO A 14 245.084 243.332 250.369 1.00 0.00 C +ATOM 15 CA ASP A 15 242.683 246.270 250.032 1.00 0.00 C +ATOM 16 CA ASP A 16 242.900 249.507 252.030 1.00 0.00 C +ATOM 17 CA GLU A 17 239.305 250.277 253.028 1.00 0.00 C +ATOM 18 CA ASN A 18 237.894 253.134 250.939 1.00 0.00 C +ATOM 19 CA ALA A 19 236.409 252.832 247.444 1.00 0.00 C +ATOM 20 CA SER A 20 234.840 255.378 245.084 1.00 0.00 C +ATOM 21 CA ARG A 21 236.355 256.113 241.666 1.00 0.00 C +ATOM 22 CA GLY A 22 239.631 258.039 241.393 1.00 0.00 C +ATOM 23 CA ARG A 23 240.522 261.635 242.284 1.00 0.00 C +ATOM 24 CA ASP A 24 244.195 262.173 241.423 1.00 0.00 C +ATOM 25 CA GLY A 25 247.596 261.455 239.865 1.00 0.00 C +ATOM 26 CA ARG A 26 247.917 261.350 236.070 1.00 0.00 C +ATOM 27 CA ALA A 27 249.274 263.675 233.373 1.00 0.00 C +ATOM 28 CA LEU A 28 252.829 264.840 234.096 1.00 0.00 C +ATOM 29 CA GLY A 29 254.234 263.754 237.466 1.00 0.00 C +ATOM 30 CA PRO A 30 255.429 261.648 240.409 1.00 0.00 C +ATOM 31 CA SER A 31 253.785 258.225 240.099 1.00 0.00 C +ATOM 32 CA ASP A 32 255.203 256.012 237.340 1.00 0.00 C +ATOM 33 CA SER A 33 256.314 256.498 233.729 1.00 0.00 C +ATOM 34 CA SER A 34 258.296 257.766 230.732 1.00 0.00 C +ATOM 35 CA ASP A 35 256.619 256.969 227.404 1.00 0.00 C +ATOM 36 CA SER A 36 256.701 253.387 226.108 1.00 0.00 C +ATOM 37 CA GLY A 37 254.852 250.057 226.190 1.00 0.00 C +ATOM 38 CA SER A 38 253.845 249.545 229.829 1.00 0.00 C +ATOM 39 CA ASP A 39 254.677 249.017 233.509 1.00 0.00 C +ATOM 40 CA THR A 40 257.607 250.366 235.538 1.00 0.00 C +ATOM 41 CA ALA A 41 260.018 252.287 237.775 1.00 0.00 C +ATOM 42 CA GLY A 42 259.723 253.310 241.434 1.00 0.00 C +ATOM 43 CA ALA A 43 262.503 255.835 242.077 1.00 0.00 C +ATOM 44 CA ARG A 44 263.122 259.575 242.461 1.00 0.00 C +ATOM 45 CA ARG A 45 262.812 262.973 240.766 1.00 0.00 C +ATOM 46 CA HIS A 46 263.011 266.605 239.633 1.00 0.00 C +ATOM 47 CA PRO A 47 265.013 269.587 240.906 1.00 0.00 C +ATOM 48 CA PHE A 48 262.654 271.804 242.914 1.00 0.00 C +ATOM 49 CA ASP A 49 259.452 273.081 244.538 1.00 0.00 C +ATOM 50 CA ILE A 50 257.946 274.880 247.540 1.00 0.00 C +ATOM 51 CA ASP A 51 255.256 273.954 250.074 1.00 0.00 C +ATOM 52 CA SER A 52 252.671 272.132 252.199 1.00 0.00 C +ATOM 53 CA PRO A 53 249.330 271.006 250.755 1.00 0.00 C +ATOM 54 CA LEU A 54 247.879 268.404 248.380 1.00 0.00 C +ATOM 55 CA ASP A 55 245.034 268.609 245.854 1.00 0.00 C +ATOM 56 CA GLU A 56 242.169 271.121 245.843 1.00 0.00 C +ATOM 57 CA HIS A 57 240.530 274.073 244.078 1.00 0.00 C +ATOM 58 CA ALA A 58 238.089 276.404 245.844 1.00 0.00 C +ATOM 59 CA LEU A 59 234.552 275.892 247.164 1.00 0.00 C +ATOM 60 CA GLU A 60 230.744 276.013 247.128 1.00 0.00 C +ATOM 61 CA ARG A 61 229.435 274.581 250.407 1.00 0.00 C +ATOM 62 CA GLY A 62 230.838 274.401 253.944 1.00 0.00 C +ATOM 63 CA ASP A 63 231.770 272.544 257.138 1.00 0.00 C +ATOM 64 CA ALA A 64 235.233 271.213 258.007 1.00 0.00 C +ATOM 65 CA ALA A 65 237.216 270.420 261.162 1.00 0.00 C +ATOM 66 CA LEU A 66 240.125 272.524 262.437 1.00 0.00 C +ATOM 67 CA ASP A 67 242.610 274.991 260.935 1.00 0.00 C +ATOM 68 CA SER A 68 244.565 277.699 259.101 1.00 0.00 C +ATOM 69 CA ASP A 69 248.256 277.011 258.454 1.00 0.00 C +ATOM 70 CA THR A 70 251.878 275.945 258.961 1.00 0.00 C +ATOM 71 CA ASP A 71 255.560 275.339 259.733 1.00 0.00 C +ATOM 72 CA ARG A 72 256.602 271.685 260.011 1.00 0.00 C +ATOM 73 CA ALA A 73 258.961 269.037 258.618 1.00 0.00 C +ATOM 74 CA GLY A 74 260.334 269.619 255.112 1.00 0.00 C +ATOM 75 CA THR A 75 263.022 270.198 252.474 1.00 0.00 C +ATOM 76 CA GLY A 76 262.086 268.041 249.477 1.00 0.00 C +ATOM 77 CA GLU A 77 263.655 265.610 246.998 1.00 0.00 C +ATOM 78 CA ARG A 78 264.164 262.268 248.757 1.00 0.00 C +ATOM 79 CA ALA A 79 265.243 259.287 250.869 1.00 0.00 C +ATOM 80 CA SER A 80 264.375 257.048 253.827 1.00 0.00 C +ATOM 81 CA ALA A 81 260.737 255.973 253.465 1.00 0.00 C +ATOM 82 CA ASP A 82 258.992 252.591 253.643 1.00 0.00 C +ATOM 83 CA GLY A 83 256.684 249.644 252.933 1.00 0.00 C +ATOM 84 CA ASP A 84 256.144 248.219 249.441 1.00 0.00 C +ATOM 85 CA ALA A 85 253.519 246.078 247.698 1.00 0.00 C +ATOM 86 CA GLY A 86 252.696 245.360 244.047 1.00 0.00 C +ATOM 87 CA LEU A 87 255.445 244.254 241.653 1.00 0.00 C +ATOM 88 CA GLU A 88 256.382 242.988 238.184 1.00 0.00 C +ATOM 89 CA ASP A 89 253.497 241.767 236.016 1.00 0.00 C +ATOM 90 CA ALA A 90 249.811 242.302 236.818 1.00 0.00 C +ATOM 91 CA ALA A 91 247.747 239.161 237.445 1.00 0.00 C +ATOM 92 CA ASP A 92 248.469 235.628 238.676 1.00 0.00 C +ATOM 93 CA ILE A 93 248.691 234.785 242.385 1.00 0.00 C +ATOM 94 CA GLU A 94 246.425 236.287 245.055 1.00 0.00 C +ATOM 95 CA PRO A 95 247.491 237.244 248.585 1.00 0.00 C +ATOM 96 CA ASP A 96 249.436 234.507 250.387 1.00 0.00 C +ATOM 97 CA ARG A 97 252.338 233.609 248.087 1.00 0.00 C +ATOM 98 CA THR A 98 255.545 231.682 247.364 1.00 0.00 C +ATOM 99 CA GLU A 99 255.904 227.967 246.602 1.00 0.00 C +ATOM 100 CA ARG A 100 258.870 225.654 247.213 1.00 0.00 C +ATOM 101 CA PHE A 101 258.528 223.656 250.439 1.00 0.00 C +ATOM 102 CA ASP A 102 259.739 221.639 253.436 1.00 0.00 C +ATOM 103 CA GLU A 103 260.167 222.027 257.202 1.00 0.00 C +ATOM 104 CA ALA A 104 262.497 219.926 259.364 1.00 0.00 C +ATOM 105 CA GLY A 105 262.476 216.475 257.750 1.00 0.00 C +ATOM 106 CA GLY A 106 259.714 213.994 258.605 1.00 0.00 C +ATOM 107 CA LEU A 107 256.987 216.112 260.217 1.00 0.00 C +ATOM 108 CA GLU A 108 253.553 217.698 260.669 1.00 0.00 C +ATOM 109 CA ASP A 109 251.099 214.833 260.135 1.00 0.00 C +ATOM 110 CA PRO A 110 248.498 213.508 257.687 1.00 0.00 C +ATOM 111 CA ASP A 111 244.874 212.352 257.469 1.00 0.00 C +ATOM 112 CA GLU A 112 241.219 212.123 256.419 1.00 0.00 C +ATOM 113 CA PRO A 113 239.167 209.298 257.945 1.00 0.00 C +ATOM 114 CA THR A 114 236.951 208.602 260.964 1.00 0.00 C +ATOM 115 CA GLY A 115 238.019 206.571 264.006 1.00 0.00 C +ATOM 116 CA PRO A 116 238.651 205.208 267.507 1.00 0.00 C +ATOM 117 CA GLY A 117 238.878 203.805 271.042 1.00 0.00 C +ATOM 118 CA THR A 118 241.297 204.491 273.905 1.00 0.00 C +ATOM 119 CA GLY A 119 240.789 205.152 277.623 1.00 0.00 C +ATOM 120 CA GLY A 120 238.229 205.295 280.442 1.00 0.00 C +ATOM 121 CA ALA A 121 238.955 204.648 284.126 1.00 0.00 C +TER 122 ALA A 121 +END diff --git a/Bacteria/Q0B3V6/Q0B3V6.dcd b/Bacteria/Q0B3V6/Q0B3V6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..6e6f860678f20787d351e6307f0ae404602aa1a8 --- /dev/null +++ b/Bacteria/Q0B3V6/Q0B3V6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ffc4c2a7531fee0611a6973b23648a38e88b5a2d14bc8b88af8547f6469084dc +size 10760276 diff --git a/Bacteria/Q0B3V6/top.pdb b/Bacteria/Q0B3V6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d16405b6683181acb91f8ce2a3585e5a823dc95a --- /dev/null +++ b/Bacteria/Q0B3V6/top.pdb @@ -0,0 +1,87 @@ +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 1 253.983 244.285 304.416 1.00 0.00 C +ATOM 2 CA LYS A 2 254.158 243.259 300.751 1.00 0.00 C +ATOM 3 CA ASP A 3 252.470 244.956 297.787 1.00 0.00 C +ATOM 4 CA SER A 4 251.820 245.301 294.048 1.00 0.00 C +ATOM 5 CA THR A 5 252.038 242.172 291.886 1.00 0.00 C +ATOM 6 CA ARG A 6 253.203 242.712 288.299 1.00 0.00 C +ATOM 7 CA SER A 7 254.689 244.081 285.069 1.00 0.00 C +ATOM 8 CA GLY A 8 258.416 243.303 284.924 1.00 0.00 C +ATOM 9 CA ARG A 9 259.366 240.858 282.161 1.00 0.00 C +ATOM 10 CA ASP A 10 260.152 242.557 278.842 1.00 0.00 C +ATOM 11 CA ALA A 11 261.972 242.947 275.518 1.00 0.00 C +ATOM 12 CA PRO A 12 263.224 241.480 272.232 1.00 0.00 C +ATOM 13 CA ALA A 13 263.247 239.112 269.248 1.00 0.00 C +ATOM 14 CA HIS A 14 262.215 239.178 265.581 1.00 0.00 C +ATOM 15 CA GLU A 15 260.980 242.185 263.594 1.00 0.00 C +ATOM 16 CA GLN A 16 258.153 241.702 261.086 1.00 0.00 C +ATOM 17 CA PRO A 17 256.334 238.355 261.136 1.00 0.00 C +ATOM 18 CA ASP A 18 255.375 234.904 262.435 1.00 0.00 C +ATOM 19 CA THR A 19 254.253 232.638 265.286 1.00 0.00 C +ATOM 20 CA SER A 20 253.593 229.521 267.374 1.00 0.00 C +ATOM 21 CA PRO A 21 250.161 227.871 267.257 1.00 0.00 C +ATOM 22 CA PRO A 22 248.625 227.033 263.873 1.00 0.00 C +ATOM 23 CA LEU A 23 246.090 229.537 262.524 1.00 0.00 C +ATOM 24 CA LYS A 24 244.503 229.999 259.091 1.00 0.00 C +ATOM 25 CA HIS A 25 244.728 227.667 256.086 1.00 0.00 C +ATOM 26 CA GLN A 26 241.381 228.097 254.317 1.00 0.00 C +ATOM 27 CA ASP A 27 240.630 230.477 251.438 1.00 0.00 C +ATOM 28 CA GLN A 28 241.433 231.445 247.841 1.00 0.00 C +ATOM 29 CA THR A 29 243.065 230.667 244.488 1.00 0.00 C +ATOM 30 CA LYS A 30 243.875 233.534 242.114 1.00 0.00 C +ATOM 31 CA THR A 31 244.475 236.544 239.856 1.00 0.00 C +ATOM 32 CA ARG A 32 243.728 240.122 240.932 1.00 0.00 C +ATOM 33 CA HIS A 33 242.054 242.037 238.095 1.00 0.00 C +ATOM 34 CA SER A 34 242.388 240.309 234.715 1.00 0.00 C +ATOM 35 CA GLU A 35 244.336 237.387 233.238 1.00 0.00 C +ATOM 36 CA ARG A 36 248.123 237.541 232.847 1.00 0.00 C +ATOM 37 CA HIS A 37 249.656 240.679 234.370 1.00 0.00 C +ATOM 38 CA ILE A 38 253.021 241.722 232.918 1.00 0.00 C +ATOM 39 CA ASP A 39 253.735 245.181 231.490 1.00 0.00 C +ATOM 40 CA LYS A 40 256.655 247.469 230.622 1.00 0.00 C +ATOM 41 CA GLN A 41 257.240 249.653 233.688 1.00 0.00 C +ATOM 42 CA LEU A 42 256.560 250.120 237.408 1.00 0.00 C +ATOM 43 CA GLU A 43 256.189 252.928 239.957 1.00 0.00 C +ATOM 44 CA ASP A 44 254.438 256.119 238.832 1.00 0.00 C +ATOM 45 CA THR A 45 251.345 257.715 237.282 1.00 0.00 C +ATOM 46 CA PHE A 46 248.115 256.912 239.137 1.00 0.00 C +ATOM 47 CA PRO A 47 247.185 254.371 241.818 1.00 0.00 C +ATOM 48 CA ALA A 48 249.983 253.307 244.175 1.00 0.00 C +ATOM 49 CA SER A 49 248.985 249.875 245.493 1.00 0.00 C +ATOM 50 CA ASP A 50 251.545 247.626 247.198 1.00 0.00 C +ATOM 51 CA PRO A 51 252.459 246.604 250.753 1.00 0.00 C +ATOM 52 CA PRO A 52 251.902 247.584 254.392 1.00 0.00 C +ATOM 53 CA ALA A 53 250.532 249.990 257.010 1.00 0.00 C +ATOM 54 CA THR A 54 253.064 252.543 258.271 1.00 0.00 C +ATOM 55 CA GLY A 55 255.025 255.051 256.179 1.00 0.00 C +ATOM 56 CA GLY A 56 253.462 257.309 253.537 1.00 0.00 C +ATOM 57 CA VAL A 57 252.661 255.381 250.350 1.00 0.00 C +ATOM 58 CA THR A 58 254.923 255.766 247.309 1.00 0.00 C +ATOM 59 CA ARG A 59 253.710 258.907 245.524 1.00 0.00 C +ATOM 60 CA ILE A 60 250.314 260.061 244.242 1.00 0.00 C +ATOM 61 CA GLU A 61 247.344 261.201 246.339 1.00 0.00 C +ATOM 62 CA PRO A 62 245.625 264.537 245.685 1.00 0.00 C +ATOM 63 CA ASP A 63 247.627 267.441 244.244 1.00 0.00 C +ATOM 64 CA THR A 64 251.375 267.920 244.734 1.00 0.00 C +ATOM 65 CA PRO A 65 254.847 268.180 243.188 1.00 0.00 C +ATOM 66 CA PRO A 66 254.383 269.552 239.664 1.00 0.00 C +ATOM 67 CA GLY A 67 254.402 273.353 239.928 1.00 0.00 C +ATOM 68 CA THR A 68 254.092 277.140 240.207 1.00 0.00 C +ATOM 69 CA HIS A 69 251.417 278.841 242.321 1.00 0.00 C +ATOM 70 CA ASP A 70 247.946 279.152 240.781 1.00 0.00 C +ATOM 71 CA ASP A 71 246.003 276.129 239.515 1.00 0.00 C +ATOM 72 CA GLY A 72 243.277 273.686 238.459 1.00 0.00 C +ATOM 73 CA PRO A 73 240.146 272.420 236.695 1.00 0.00 C +ATOM 74 CA TRP A 74 238.127 271.823 233.520 1.00 0.00 C +ATOM 75 CA GLN A 75 237.249 268.698 231.524 1.00 0.00 C +ATOM 76 CA ASP A 76 239.471 267.882 228.538 1.00 0.00 C +ATOM 77 CA PRO A 77 241.275 266.962 225.311 1.00 0.00 C +ATOM 78 CA ALA A 78 240.473 266.072 221.694 1.00 0.00 C +ATOM 79 CA LYS A 79 240.448 264.029 218.479 1.00 0.00 C +ATOM 80 CA ARG A 80 241.782 260.882 216.794 1.00 0.00 C +ATOM 81 CA ARG A 81 242.062 257.808 214.560 1.00 0.00 C +ATOM 82 CA ASP A 82 240.170 254.510 214.316 1.00 0.00 C +ATOM 83 CA LYS A 83 238.525 253.131 211.169 1.00 0.00 C +TER 84 LYS A 83 +END diff --git a/Bacteria/Q0B3W1/Q0B3W1.dcd b/Bacteria/Q0B3W1/Q0B3W1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..ad075b41b13e56b99114c740b727c938b3985cb2 --- /dev/null +++ b/Bacteria/Q0B3W1/Q0B3W1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dc85f2558264c97131203e5af7d2c42a61472c731ad6f5b71b5099de4e8f9ad3 +size 8000276 diff --git a/Bacteria/Q0B3W1/top.pdb b/Bacteria/Q0B3W1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..852e1cf58bbe7d9b2fd0df83b9f41ac090b5d1e2 --- /dev/null +++ b/Bacteria/Q0B3W1/top.pdb @@ -0,0 +1,64 @@ +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 1 243.256 220.176 231.141 1.00 0.00 C +ATOM 2 CA PRO A 2 241.141 221.236 228.154 1.00 0.00 C +ATOM 3 CA ALA A 3 239.759 224.785 228.239 1.00 0.00 C +ATOM 4 CA LYS A 4 239.026 228.292 226.943 1.00 0.00 C +ATOM 5 CA SER A 5 241.909 229.155 224.606 1.00 0.00 C +ATOM 6 CA GLN A 6 245.516 229.112 225.832 1.00 0.00 C +ATOM 7 CA ALA A 7 246.650 230.652 229.127 1.00 0.00 C +ATOM 8 CA GLN A 8 248.929 228.233 230.991 1.00 0.00 C +ATOM 9 CA GLN A 9 252.243 228.098 232.865 1.00 0.00 C +ATOM 10 CA ARG A 10 255.201 230.012 234.314 1.00 0.00 C +ATOM 11 CA ALA A 11 257.958 232.362 233.132 1.00 0.00 C +ATOM 12 CA ALA A 12 260.652 234.748 231.882 1.00 0.00 C +ATOM 13 CA GLY A 13 261.483 237.214 229.098 1.00 0.00 C +ATOM 14 CA ALA A 14 261.705 240.581 230.868 1.00 0.00 C +ATOM 15 CA ALA A 15 258.837 242.473 232.514 1.00 0.00 C +ATOM 16 CA LEU A 16 255.417 243.120 234.063 1.00 0.00 C +ATOM 17 CA SER A 17 254.221 239.875 235.662 1.00 0.00 C +ATOM 18 CA ALA A 18 250.490 240.213 236.356 1.00 0.00 C +ATOM 19 CA LYS A 19 248.250 242.511 238.410 1.00 0.00 C +ATOM 20 CA ARG A 20 246.032 244.214 240.998 1.00 0.00 C +ATOM 21 CA GLY A 21 245.239 246.663 243.806 1.00 0.00 C +ATOM 22 CA ASP A 22 242.390 249.070 243.028 1.00 0.00 C +ATOM 23 CA THR A 23 239.999 251.585 244.602 1.00 0.00 C +ATOM 24 CA LYS A 24 241.782 253.324 247.485 1.00 0.00 C +ATOM 25 CA MET A 25 240.388 253.725 251.009 1.00 0.00 C +ATOM 26 CA LYS A 26 242.381 255.939 253.384 1.00 0.00 C +ATOM 27 CA ASP A 27 244.026 259.375 253.338 1.00 0.00 C +ATOM 28 CA LEU A 28 242.928 263.022 253.442 1.00 0.00 C +ATOM 29 CA LYS A 29 244.603 265.413 255.891 1.00 0.00 C +ATOM 30 CA ALA A 30 242.192 267.454 258.022 1.00 0.00 C +ATOM 31 CA PRO A 31 240.402 270.678 258.980 1.00 0.00 C +ATOM 32 CA SER A 32 241.897 273.421 261.161 1.00 0.00 C +ATOM 33 CA LYS A 33 244.208 276.449 261.216 1.00 0.00 C +ATOM 34 CA SER A 34 247.274 278.223 259.812 1.00 0.00 C +ATOM 35 CA MET A 35 250.015 276.217 258.085 1.00 0.00 C +ATOM 36 CA ALA A 36 249.621 272.792 256.463 1.00 0.00 C +ATOM 37 CA LYS A 37 251.736 272.101 253.371 1.00 0.00 C +ATOM 38 CA SER A 38 251.136 268.595 252.005 1.00 0.00 C +ATOM 39 CA MET A 39 252.738 265.256 251.109 1.00 0.00 C +ATOM 40 CA SER A 40 256.301 264.288 250.170 1.00 0.00 C +ATOM 41 CA GLU A 41 258.647 261.328 250.675 1.00 0.00 C +ATOM 42 CA LYS A 42 260.456 261.100 254.020 1.00 0.00 C +ATOM 43 CA GLU A 43 263.624 259.168 254.880 1.00 0.00 C +ATOM 44 CA LEU A 44 266.222 257.000 256.632 1.00 0.00 C +ATOM 45 CA GLU A 45 264.510 253.916 258.073 1.00 0.00 C +ATOM 46 CA LYS A 46 261.170 252.739 259.479 1.00 0.00 C +ATOM 47 CA MET A 47 261.159 251.987 263.214 1.00 0.00 C +ATOM 48 CA ALA A 48 260.772 253.354 266.749 1.00 0.00 C +ATOM 49 CA SER A 49 258.303 256.149 267.530 1.00 0.00 C +ATOM 50 CA THR A 50 258.159 256.671 271.302 1.00 0.00 C +ATOM 51 CA PRO A 51 255.828 254.464 273.353 1.00 0.00 C +ATOM 52 CA ALA A 52 256.297 250.850 272.244 1.00 0.00 C +ATOM 53 CA HIS A 53 254.854 250.372 268.750 1.00 0.00 C +ATOM 54 CA GLY A 54 251.127 250.956 268.217 1.00 0.00 C +ATOM 55 CA LYS A 55 247.487 251.424 267.194 1.00 0.00 C +ATOM 56 CA PRO A 56 244.131 249.669 267.609 1.00 0.00 C +ATOM 57 CA LYS A 57 241.142 247.312 267.771 1.00 0.00 C +ATOM 58 CA HIS A 58 240.112 243.684 267.226 1.00 0.00 C +ATOM 59 CA LYS A 59 238.676 242.334 270.486 1.00 0.00 C +ATOM 60 CA HIS A 60 237.397 244.875 273.021 1.00 0.00 C +TER 61 HIS A 60 +END diff --git a/Bacteria/Q0B4Y0/Q0B4Y0.dcd b/Bacteria/Q0B4Y0/Q0B4Y0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..839e71fa7ccdb3f72d41ba7896b5c02412661776 --- /dev/null +++ b/Bacteria/Q0B4Y0/Q0B4Y0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3f35cccbc518ad245a4c8473c44ebe0b4d5d615a74b691940cbcf8d06e62d24e +size 7280276 diff --git a/Bacteria/Q0B4Y0/top.pdb b/Bacteria/Q0B4Y0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1fa86401ca6aed44d75bed4e60f7c888c0219207 --- /dev/null +++ b/Bacteria/Q0B4Y0/top.pdb @@ -0,0 +1,58 @@ +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 1 213.678 254.864 268.341 1.00 0.00 C +ATOM 2 CA LYS A 2 216.572 256.076 266.179 1.00 0.00 C +ATOM 3 CA LEU A 3 220.194 256.552 265.096 1.00 0.00 C +ATOM 4 CA HIS A 4 221.594 253.404 263.471 1.00 0.00 C +ATOM 5 CA GLN A 5 222.703 253.902 259.860 1.00 0.00 C +ATOM 6 CA THR A 6 222.638 255.078 256.236 1.00 0.00 C +ATOM 7 CA PRO A 7 220.880 255.754 252.925 1.00 0.00 C +ATOM 8 CA ASP A 8 222.120 254.650 249.496 1.00 0.00 C +ATOM 9 CA PRO A 9 219.844 256.146 246.832 1.00 0.00 C +ATOM 10 CA THR A 10 220.765 257.722 243.487 1.00 0.00 C +ATOM 11 CA ARG A 11 224.109 257.081 241.777 1.00 0.00 C +ATOM 12 CA PRO A 12 227.053 255.902 243.888 1.00 0.00 C +ATOM 13 CA GLU A 13 230.001 258.312 243.755 1.00 0.00 C +ATOM 14 CA PRO A 14 231.086 261.448 241.883 1.00 0.00 C +ATOM 15 CA ALA A 15 229.341 263.151 238.956 1.00 0.00 C +ATOM 16 CA PRO A 16 230.357 261.068 235.932 1.00 0.00 C +ATOM 17 CA ASP A 17 234.018 260.129 235.452 1.00 0.00 C +ATOM 18 CA HIS A 18 236.526 257.708 233.915 1.00 0.00 C +ATOM 19 CA PRO A 19 240.138 256.528 234.194 1.00 0.00 C +ATOM 20 CA PRO A 20 243.716 257.141 235.352 1.00 0.00 C +ATOM 21 CA GLU A 21 247.504 257.149 235.761 1.00 0.00 C +ATOM 22 CA PRO A 22 250.969 255.992 236.843 1.00 0.00 C +ATOM 23 CA SER A 23 253.101 259.037 237.678 1.00 0.00 C +ATOM 24 CA PRO A 24 252.641 262.363 239.477 1.00 0.00 C +ATOM 25 CA GLY A 25 255.326 264.413 241.240 1.00 0.00 C +ATOM 26 CA THR A 26 256.234 264.033 244.920 1.00 0.00 C +ATOM 27 CA ASP A 27 255.611 260.376 245.787 1.00 0.00 C +ATOM 28 CA PRO A 28 255.058 256.755 246.834 1.00 0.00 C +ATOM 29 CA PRO A 29 257.833 254.700 248.443 1.00 0.00 C +ATOM 30 CA VAL A 30 256.599 251.096 248.391 1.00 0.00 C +ATOM 31 CA PRO A 31 255.631 247.672 247.028 1.00 0.00 C +ATOM 32 CA GLN A 32 251.873 247.086 247.255 1.00 0.00 C +ATOM 33 CA PRO A 33 248.374 246.410 248.603 1.00 0.00 C +ATOM 34 CA PRO A 34 246.929 247.871 251.811 1.00 0.00 C +ATOM 35 CA ASP A 35 249.040 249.931 254.223 1.00 0.00 C +ATOM 36 CA VAL A 36 252.361 250.647 255.947 1.00 0.00 C +ATOM 37 CA PRO A 37 255.514 249.081 257.404 1.00 0.00 C +ATOM 38 CA ARG A 38 257.266 247.209 254.587 1.00 0.00 C +ATOM 39 CA PRO A 39 258.763 243.842 253.617 1.00 0.00 C +ATOM 40 CA ASP A 40 262.507 243.233 253.978 1.00 0.00 C +ATOM 41 CA MET A 41 265.364 240.956 255.058 1.00 0.00 C +ATOM 42 CA PRO A 42 266.010 237.258 254.406 1.00 0.00 C +ATOM 43 CA PRO A 43 269.573 236.235 253.526 1.00 0.00 C +ATOM 44 CA ARG A 44 271.281 232.834 253.707 1.00 0.00 C +ATOM 45 CA GLU A 45 271.560 231.180 257.127 1.00 0.00 C +ATOM 46 CA PRO A 46 273.930 229.370 259.499 1.00 0.00 C +ATOM 47 CA GLY A 47 277.004 229.883 261.691 1.00 0.00 C +ATOM 48 CA TYR A 48 280.188 230.671 259.754 1.00 0.00 C +ATOM 49 CA ASP A 49 282.801 232.983 258.223 1.00 0.00 C +ATOM 50 CA THR A 50 282.961 236.610 259.381 1.00 0.00 C +ATOM 51 CA PRO A 51 284.627 238.596 256.589 1.00 0.00 C +ATOM 52 CA ILE A 52 287.965 240.164 257.545 1.00 0.00 C +ATOM 53 CA ALA A 53 290.545 241.492 255.076 1.00 0.00 C +ATOM 54 CA ARG A 54 289.722 240.261 251.565 1.00 0.00 C +TER 55 ARG A 54 +END diff --git a/Bacteria/Q0B922/Q0B922.dcd b/Bacteria/Q0B922/Q0B922.dcd new file mode 100644 index 0000000000000000000000000000000000000000..fc21f0a059a47751918dfad3e01f5f2f8b97dc93 --- /dev/null +++ b/Bacteria/Q0B922/Q0B922.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3176ca690ce11104660f2623572269f1cc1222f37c9a9ab5409eddfc0aa62985 +size 10640276 diff --git a/Bacteria/Q0B922/top.pdb b/Bacteria/Q0B922/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3b8c51b2cfe4b50eca931d1d74d5753da84ffbc9 --- /dev/null +++ b/Bacteria/Q0B922/top.pdb @@ -0,0 +1,86 @@ +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 1 210.802 274.071 257.010 1.00 0.00 C +ATOM 2 CA ILE A 2 210.241 277.213 254.930 1.00 0.00 C +ATOM 3 CA ALA A 3 210.061 276.144 251.277 1.00 0.00 C +ATOM 4 CA HIS A 4 212.203 276.735 248.182 1.00 0.00 C +ATOM 5 CA ALA A 5 215.959 276.244 247.773 1.00 0.00 C +ATOM 6 CA PRO A 6 218.879 275.832 245.360 1.00 0.00 C +ATOM 7 CA GLY A 7 222.278 277.521 245.023 1.00 0.00 C +ATOM 8 CA ARG A 8 224.037 280.139 247.160 1.00 0.00 C +ATOM 9 CA ARG A 9 224.818 278.554 250.535 1.00 0.00 C +ATOM 10 CA ASP A 10 226.718 275.299 249.976 1.00 0.00 C +ATOM 11 CA ALA A 11 228.363 272.132 248.642 1.00 0.00 C +ATOM 12 CA VAL A 12 228.385 271.313 244.921 1.00 0.00 C +ATOM 13 CA SER A 13 227.481 267.669 244.271 1.00 0.00 C +ATOM 14 CA PRO A 14 224.395 265.535 244.934 1.00 0.00 C +ATOM 15 CA ALA A 15 223.820 262.241 246.760 1.00 0.00 C +ATOM 16 CA ALA A 16 220.772 260.549 245.223 1.00 0.00 C +ATOM 17 CA GLY A 17 220.605 258.734 241.877 1.00 0.00 C +ATOM 18 CA LEU A 18 223.447 259.316 239.407 1.00 0.00 C +ATOM 19 CA VAL A 19 226.769 258.095 240.817 1.00 0.00 C +ATOM 20 CA SER A 20 230.375 257.723 241.991 1.00 0.00 C +ATOM 21 CA LEU A 21 233.226 257.776 244.518 1.00 0.00 C +ATOM 22 CA ALA A 22 236.284 255.604 243.847 1.00 0.00 C +ATOM 23 CA ALA A 23 238.657 252.625 243.957 1.00 0.00 C +ATOM 24 CA SER A 24 241.156 251.872 246.732 1.00 0.00 C +ATOM 25 CA ARG A 25 244.730 253.139 247.111 1.00 0.00 C +ATOM 26 CA LYS A 26 246.257 254.428 250.354 1.00 0.00 C +ATOM 27 CA PRO A 27 247.800 254.625 253.833 1.00 0.00 C +ATOM 28 CA SER A 28 246.198 255.831 257.072 1.00 0.00 C +ATOM 29 CA ASN A 29 248.737 258.199 258.642 1.00 0.00 C +ATOM 30 CA ASP A 30 248.682 257.855 262.436 1.00 0.00 C +ATOM 31 CA LYS A 31 250.577 255.472 264.726 1.00 0.00 C +ATOM 32 CA THR A 32 254.302 255.954 264.084 1.00 0.00 C +ATOM 33 CA GLU A 33 255.860 257.626 261.036 1.00 0.00 C +ATOM 34 CA LYS A 34 258.292 260.523 260.578 1.00 0.00 C +ATOM 35 CA ARG A 35 258.751 263.982 259.048 1.00 0.00 C +ATOM 36 CA ILE A 36 256.710 266.861 260.485 1.00 0.00 C +ATOM 37 CA ASP A 37 259.170 269.704 261.098 1.00 0.00 C +ATOM 38 CA GLU A 38 259.338 272.160 258.190 1.00 0.00 C +ATOM 39 CA GLY A 39 257.218 275.325 258.243 1.00 0.00 C +ATOM 40 CA LEU A 40 253.744 276.481 257.191 1.00 0.00 C +ATOM 41 CA GLU A 41 252.673 276.738 253.543 1.00 0.00 C +ATOM 42 CA GLU A 42 253.484 274.315 250.718 1.00 0.00 C +ATOM 43 CA SER A 43 254.678 270.894 251.897 1.00 0.00 C +ATOM 44 CA PHE A 44 256.712 269.192 249.161 1.00 0.00 C +ATOM 45 CA PRO A 45 256.136 266.976 246.116 1.00 0.00 C +ATOM 46 CA ALA A 46 258.130 263.767 245.622 1.00 0.00 C +ATOM 47 CA SER A 47 259.634 260.268 245.714 1.00 0.00 C +ATOM 48 CA ASP A 48 259.179 257.954 248.707 1.00 0.00 C +ATOM 49 CA PRO A 49 261.041 258.998 251.863 1.00 0.00 C +ATOM 50 CA PRO A 50 263.022 257.418 254.709 1.00 0.00 C +ATOM 51 CA ALA A 51 260.818 255.167 256.851 1.00 0.00 C +ATOM 52 CA VAL A 52 258.582 252.604 255.135 1.00 0.00 C +ATOM 53 CA GLY A 53 255.562 251.642 257.249 1.00 0.00 C +ATOM 54 CA GLY A 54 252.981 250.342 254.766 1.00 0.00 C +ATOM 55 CA ALA A 55 252.004 247.878 252.029 1.00 0.00 C +ATOM 56 CA THR A 56 250.506 244.570 253.183 1.00 0.00 C +ATOM 57 CA ARG A 57 253.209 242.017 254.015 1.00 0.00 C +ATOM 58 CA ILE A 58 255.300 239.188 255.478 1.00 0.00 C +ATOM 59 CA ASP A 59 258.018 238.046 253.064 1.00 0.00 C +ATOM 60 CA PRO A 60 258.194 234.357 252.126 1.00 0.00 C +ATOM 61 CA ALA A 61 259.450 231.763 254.618 1.00 0.00 C +ATOM 62 CA LYS A 62 260.731 228.482 256.070 1.00 0.00 C +ATOM 63 CA PRO A 63 260.232 224.741 256.592 1.00 0.00 C +ATOM 64 CA SER A 64 259.964 221.740 254.260 1.00 0.00 C +ATOM 65 CA GLY A 65 259.262 222.665 250.632 1.00 0.00 C +ATOM 66 CA PRO A 66 260.242 226.043 249.167 1.00 0.00 C +ATOM 67 CA ARG A 67 260.300 225.429 245.407 1.00 0.00 C +ATOM 68 CA GLU A 68 261.292 221.796 244.830 1.00 0.00 C +ATOM 69 CA ARG A 69 264.366 220.060 246.262 1.00 0.00 C +ATOM 70 CA ARG A 70 266.902 218.803 243.711 1.00 0.00 C +ATOM 71 CA ALA A 71 270.366 220.303 243.189 1.00 0.00 C +ATOM 72 CA PRO A 72 273.247 221.272 245.486 1.00 0.00 C +ATOM 73 CA ASP A 73 274.632 217.935 246.694 1.00 0.00 C +ATOM 74 CA ALA A 74 277.708 216.400 245.051 1.00 0.00 C +ATOM 75 CA PRO A 75 280.036 217.579 242.275 1.00 0.00 C +ATOM 76 CA PRO A 76 278.656 216.122 239.037 1.00 0.00 C +ATOM 77 CA PRO A 77 277.988 212.439 239.751 1.00 0.00 C +ATOM 78 CA PRO A 78 278.531 208.793 238.788 1.00 0.00 C +ATOM 79 CA ARG A 79 280.548 206.553 241.118 1.00 0.00 C +ATOM 80 CA ASP A 80 280.268 202.965 239.867 1.00 0.00 C +ATOM 81 CA HIS A 81 281.195 200.339 242.467 1.00 0.00 C +ATOM 82 CA GLY A 82 278.127 198.346 243.532 1.00 0.00 C +TER 83 GLY A 82 +END diff --git a/Bacteria/Q0BAX5/Q0BAX5.dcd b/Bacteria/Q0BAX5/Q0BAX5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..151a85ad6be7a3c41f27423584318996b0a699f2 --- /dev/null +++ b/Bacteria/Q0BAX5/Q0BAX5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9b6a3414cdd6fce23ef3190fed66e26e9aeb189dc0f89a0d80bd280c99dd47a1 +size 9560276 diff --git a/Bacteria/Q0BAX5/top.pdb b/Bacteria/Q0BAX5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..af05d5357ee90246eac43b1892ca848ffd274389 --- /dev/null +++ b/Bacteria/Q0BAX5/top.pdb @@ -0,0 +1,77 @@ +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 1 208.821 237.707 238.521 1.00 0.00 C +ATOM 2 CA ARG A 2 207.375 238.754 241.887 1.00 0.00 C +ATOM 3 CA CYS A 3 208.703 238.704 245.458 1.00 0.00 C +ATOM 4 CA ALA A 4 212.336 239.660 246.090 1.00 0.00 C +ATOM 5 CA ILE A 5 214.827 241.638 248.188 1.00 0.00 C +ATOM 6 CA SER A 6 214.624 244.186 251.013 1.00 0.00 C +ATOM 7 CA SER A 7 217.558 246.610 251.186 1.00 0.00 C +ATOM 8 CA ALA A 8 221.307 247.180 251.549 1.00 0.00 C +ATOM 9 CA ARG A 9 223.897 249.719 252.717 1.00 0.00 C +ATOM 10 CA HIS A 10 224.329 252.846 254.851 1.00 0.00 C +ATOM 11 CA SER A 11 227.794 254.420 254.673 1.00 0.00 C +ATOM 12 CA GLY A 12 230.100 252.105 256.632 1.00 0.00 C +ATOM 13 CA HIS A 13 233.635 250.776 257.135 1.00 0.00 C +ATOM 14 CA ARG A 14 236.715 249.927 259.211 1.00 0.00 C +ATOM 15 CA GLN A 15 238.644 252.199 261.585 1.00 0.00 C +ATOM 16 CA ARG A 16 241.585 253.531 259.562 1.00 0.00 C +ATOM 17 CA ALA A 17 242.863 251.616 256.526 1.00 0.00 C +ATOM 18 CA PRO A 18 245.022 252.122 253.427 1.00 0.00 C +ATOM 19 CA ALA A 19 248.146 252.625 251.305 1.00 0.00 C +ATOM 20 CA ALA A 20 248.286 254.691 248.107 1.00 0.00 C +ATOM 21 CA GLY A 21 246.407 258.002 247.952 1.00 0.00 C +ATOM 22 CA GLY A 22 245.453 261.075 245.913 1.00 0.00 C +ATOM 23 CA ALA A 23 241.919 261.284 244.505 1.00 0.00 C +ATOM 24 CA PRO A 24 239.518 258.589 243.283 1.00 0.00 C +ATOM 25 CA PRO A 25 236.767 258.973 240.676 1.00 0.00 C +ATOM 26 CA GLY A 26 233.912 261.422 240.071 1.00 0.00 C +ATOM 27 CA THR A 27 233.867 265.037 241.272 1.00 0.00 C +ATOM 28 CA THR A 28 235.386 264.869 244.761 1.00 0.00 C +ATOM 29 CA GLY A 29 237.341 266.355 247.674 1.00 0.00 C +ATOM 30 CA ILE A 30 239.375 263.660 249.439 1.00 0.00 C +ATOM 31 CA ASP A 31 240.848 265.129 252.631 1.00 0.00 C +ATOM 32 CA ALA A 32 244.103 265.782 254.501 1.00 0.00 C +ATOM 33 CA HIS A 33 247.744 265.550 253.402 1.00 0.00 C +ATOM 34 CA GLN A 34 249.699 262.319 252.896 1.00 0.00 C +ATOM 35 CA GLN A 35 253.018 261.193 254.389 1.00 0.00 C +ATOM 36 CA SER A 36 256.266 260.406 252.560 1.00 0.00 C +ATOM 37 CA ASN A 37 258.787 257.712 251.606 1.00 0.00 C +ATOM 38 CA GLY A 38 256.969 254.375 251.330 1.00 0.00 C +ATOM 39 CA TRP A 39 255.792 251.087 252.853 1.00 0.00 C +ATOM 40 CA VAL A 40 256.216 248.428 250.158 1.00 0.00 C +ATOM 41 CA PRO A 41 259.389 247.428 248.300 1.00 0.00 C +ATOM 42 CA ALA A 42 262.006 248.726 245.854 1.00 0.00 C +ATOM 43 CA PRO A 43 264.383 250.515 243.473 1.00 0.00 C +ATOM 44 CA GLN A 44 267.031 252.440 245.422 1.00 0.00 C +ATOM 45 CA SER A 45 267.655 253.132 249.116 1.00 0.00 C +ATOM 46 CA LYS A 46 266.151 253.768 252.559 1.00 0.00 C +ATOM 47 CA PRO A 47 262.801 252.133 253.343 1.00 0.00 C +ATOM 48 CA ARG A 48 263.338 249.555 256.098 1.00 0.00 C +ATOM 49 CA PRO A 49 263.653 246.028 257.503 1.00 0.00 C +ATOM 50 CA GLN A 50 264.173 246.563 261.239 1.00 0.00 C +ATOM 51 CA CYS A 51 266.392 245.664 264.203 1.00 0.00 C +ATOM 52 CA GLY A 52 269.423 243.421 264.751 1.00 0.00 C +ATOM 53 CA GLN A 53 271.383 243.175 261.493 1.00 0.00 C +ATOM 54 CA ARG A 54 273.886 245.357 259.625 1.00 0.00 C +ATOM 55 CA ALA A 55 272.769 246.483 256.161 1.00 0.00 C +ATOM 56 CA ARG A 56 274.810 249.181 254.410 1.00 0.00 C +ATOM 57 CA ARG A 57 274.686 250.085 250.711 1.00 0.00 C +ATOM 58 CA GLY A 58 276.401 247.573 248.417 1.00 0.00 C +ATOM 59 CA VAL A 59 279.768 246.129 247.371 1.00 0.00 C +ATOM 60 CA GLU A 60 279.415 242.392 246.716 1.00 0.00 C +ATOM 61 CA ARG A 61 276.120 240.593 246.070 1.00 0.00 C +ATOM 62 CA ALA A 62 272.673 240.623 247.693 1.00 0.00 C +ATOM 63 CA SER A 63 269.394 239.356 246.222 1.00 0.00 C +ATOM 64 CA ARG A 64 265.784 240.304 246.986 1.00 0.00 C +ATOM 65 CA ALA A 65 262.734 242.040 248.469 1.00 0.00 C +ATOM 66 CA GLU A 66 259.099 241.368 249.394 1.00 0.00 C +ATOM 67 CA SER A 67 256.346 240.532 246.896 1.00 0.00 C +ATOM 68 CA VAL A 68 257.173 237.001 245.730 1.00 0.00 C +ATOM 69 CA MET A 69 257.959 236.193 242.091 1.00 0.00 C +ATOM 70 CA ALA A 70 261.328 237.717 241.174 1.00 0.00 C +ATOM 71 CA LYS A 71 261.485 240.458 238.532 1.00 0.00 C +ATOM 72 CA ALA A 72 258.784 239.871 235.911 1.00 0.00 C +ATOM 73 CA ARG A 73 255.652 241.936 236.576 1.00 0.00 C +TER 74 ARG A 73 +END diff --git a/Bacteria/Q0BC28/Q0BC28.dcd b/Bacteria/Q0BC28/Q0BC28.dcd new file mode 100644 index 0000000000000000000000000000000000000000..abf93e3da58596bf572fc9d828faf9a71eb0c846 --- /dev/null +++ b/Bacteria/Q0BC28/Q0BC28.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e3e371fecfcaaa2662e586d9c66b4256a74fa209a3391fcf6e94aec229b13888 +size 5960276 diff --git a/Bacteria/Q0BC28/top.pdb b/Bacteria/Q0BC28/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2065833f69fef4160d28b874efa71161e7ee135b --- /dev/null +++ b/Bacteria/Q0BC28/top.pdb @@ -0,0 +1,47 @@ +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 1 268.458 230.039 248.927 1.00 0.00 C +ATOM 2 CA ARG A 2 266.558 233.161 247.849 1.00 0.00 C +ATOM 3 CA ASN A 3 265.604 235.447 244.955 1.00 0.00 C +ATOM 4 CA ALA A 4 263.195 237.396 242.737 1.00 0.00 C +ATOM 5 CA SER A 5 261.469 240.014 240.574 1.00 0.00 C +ATOM 6 CA ASP A 6 259.919 238.264 237.565 1.00 0.00 C +ATOM 7 CA SER A 7 257.552 235.823 235.845 1.00 0.00 C +ATOM 8 CA ASN A 8 254.104 234.367 235.133 1.00 0.00 C +ATOM 9 CA PHE A 9 250.665 235.292 233.781 1.00 0.00 C +ATOM 10 CA SER A 10 247.175 236.387 234.850 1.00 0.00 C +ATOM 11 CA VAL A 11 243.632 237.780 234.696 1.00 0.00 C +ATOM 12 CA ALA A 12 240.695 240.122 235.330 1.00 0.00 C +ATOM 13 CA ASN A 13 239.019 239.037 238.575 1.00 0.00 C +ATOM 14 CA ASN A 14 237.300 241.534 240.882 1.00 0.00 C +ATOM 15 CA ASN A 15 237.798 245.294 241.240 1.00 0.00 C +ATOM 16 CA PRO A 16 240.772 247.639 241.658 1.00 0.00 C +ATOM 17 CA GLY A 17 243.403 246.395 244.116 1.00 0.00 C +ATOM 18 CA THR A 18 244.344 246.730 247.793 1.00 0.00 C +ATOM 19 CA ASP A 19 242.563 248.600 250.594 1.00 0.00 C +ATOM 20 CA ASP A 20 241.046 252.059 250.088 1.00 0.00 C +ATOM 21 CA ASP A 21 237.522 252.829 251.314 1.00 0.00 C +ATOM 22 CA ASN A 22 238.009 254.918 254.463 1.00 0.00 C +ATOM 23 CA LEU A 23 237.214 258.380 255.840 1.00 0.00 C +ATOM 24 CA ALA A 24 240.365 260.468 256.317 1.00 0.00 C +ATOM 25 CA ASN A 25 242.757 263.291 257.225 1.00 0.00 C +ATOM 26 CA PRO A 26 244.487 266.313 258.773 1.00 0.00 C +ATOM 27 CA LEU A 27 244.144 265.941 262.549 1.00 0.00 C +ATOM 28 CA PRO A 28 242.195 263.975 265.166 1.00 0.00 C +ATOM 29 CA GLY A 29 239.514 262.085 263.229 1.00 0.00 C +ATOM 30 CA ARG A 30 240.325 258.418 262.589 1.00 0.00 C +ATOM 31 CA SER A 31 241.807 255.248 261.081 1.00 0.00 C +ATOM 32 CA GLN A 32 244.005 252.908 259.029 1.00 0.00 C +ATOM 33 CA THR A 33 246.840 250.645 257.863 1.00 0.00 C +ATOM 34 CA GLY A 34 249.578 251.619 255.399 1.00 0.00 C +ATOM 35 CA VAL A 35 251.141 254.524 253.492 1.00 0.00 C +ATOM 36 CA ASN A 36 254.204 255.907 255.287 1.00 0.00 C +ATOM 37 CA ILE A 37 257.959 256.354 254.822 1.00 0.00 C +ATOM 38 CA GLY A 38 259.499 259.225 256.797 1.00 0.00 C +ATOM 39 CA ILE A 39 262.011 258.294 259.506 1.00 0.00 C +ATOM 40 CA ASN A 40 265.698 259.183 259.142 1.00 0.00 C +ATOM 41 CA HIS A 41 268.733 260.717 257.423 1.00 0.00 C +ATOM 42 CA SER A 42 268.075 263.133 254.552 1.00 0.00 C +ATOM 43 CA PHE A 43 268.646 264.245 250.952 1.00 0.00 C +TER 44 PHE A 43 +END diff --git a/Bacteria/Q0BCX8/Q0BCX8.dcd b/Bacteria/Q0BCX8/Q0BCX8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..7dca047a6c6a94a2d93268c5dea71e7f1bb825c2 --- /dev/null +++ b/Bacteria/Q0BCX8/Q0BCX8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7d52410e261848ec836724512a5b2b5301282182afa80c4ec79edd67003fba83 +size 10520276 diff --git a/Bacteria/Q0BCX8/top.pdb b/Bacteria/Q0BCX8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..23e8e1d8d4d847c7ab45499ab2d7250fb6ef22e0 --- /dev/null +++ b/Bacteria/Q0BCX8/top.pdb @@ -0,0 +1,85 @@ +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 1 221.742 254.867 235.993 1.00 0.00 C +ATOM 2 CA PHE A 2 223.386 254.144 239.353 1.00 0.00 C +ATOM 3 CA LEU A 3 226.578 254.288 241.428 1.00 0.00 C +ATOM 4 CA ARG A 4 229.779 253.482 243.330 1.00 0.00 C +ATOM 5 CA ARG A 5 232.658 255.956 243.002 1.00 0.00 C +ATOM 6 CA LEU A 6 236.067 255.985 241.302 1.00 0.00 C +ATOM 7 CA ARG A 7 238.728 253.354 240.583 1.00 0.00 C +ATOM 8 CA ALA A 8 238.176 249.589 240.769 1.00 0.00 C +ATOM 9 CA ALA A 9 237.133 246.762 243.100 1.00 0.00 C +ATOM 10 CA LEU A 10 239.124 246.562 246.343 1.00 0.00 C +ATOM 11 CA PRO A 11 242.532 245.162 247.312 1.00 0.00 C +ATOM 12 CA MET A 12 245.091 243.020 245.473 1.00 0.00 C +ATOM 13 CA ARG A 13 247.675 243.423 242.703 1.00 0.00 C +ATOM 14 CA HIS A 14 250.880 242.101 241.124 1.00 0.00 C +ATOM 15 CA PRO A 15 252.686 243.442 238.049 1.00 0.00 C +ATOM 16 CA ALA A 16 251.077 244.969 234.952 1.00 0.00 C +ATOM 17 CA MET A 17 250.041 243.844 231.462 1.00 0.00 C +ATOM 18 CA ARG A 18 249.034 246.650 229.089 1.00 0.00 C +ATOM 19 CA ARG A 19 247.944 249.911 230.730 1.00 0.00 C +ATOM 20 CA SER A 20 246.142 253.206 231.368 1.00 0.00 C +ATOM 21 CA LYS A 21 247.844 256.595 230.995 1.00 0.00 C +ATOM 22 CA ARG A 22 251.585 255.962 230.654 1.00 0.00 C +ATOM 23 CA SER A 23 253.854 253.471 232.434 1.00 0.00 C +ATOM 24 CA SER A 24 254.333 253.631 236.210 1.00 0.00 C +ATOM 25 CA PRO A 25 257.880 252.376 236.804 1.00 0.00 C +ATOM 26 CA ARG A 26 261.399 253.102 238.073 1.00 0.00 C +ATOM 27 CA SER A 27 263.388 255.244 240.517 1.00 0.00 C +ATOM 28 CA PRO A 28 265.779 252.808 242.210 1.00 0.00 C +ATOM 29 CA ASP A 29 264.317 249.800 244.035 1.00 0.00 C +ATOM 30 CA ALA A 30 266.045 246.503 244.850 1.00 0.00 C +ATOM 31 CA GLY A 31 265.519 243.582 247.239 1.00 0.00 C +ATOM 32 CA ALA A 32 268.985 242.117 247.834 1.00 0.00 C +ATOM 33 CA GLU A 33 271.692 239.531 247.125 1.00 0.00 C +ATOM 34 CA ARG A 34 275.284 240.636 247.749 1.00 0.00 C +ATOM 35 CA GLN A 35 276.528 238.383 250.558 1.00 0.00 C +ATOM 36 CA ARG A 36 275.438 237.814 254.164 1.00 0.00 C +ATOM 37 CA PRO A 37 274.200 234.218 254.400 1.00 0.00 C +ATOM 38 CA GLN A 38 271.752 232.331 252.173 1.00 0.00 C +ATOM 39 CA THR A 39 269.560 234.450 249.888 1.00 0.00 C +ATOM 40 CA ASP A 40 266.773 234.109 247.313 1.00 0.00 C +ATOM 41 CA ALA A 41 262.973 234.382 247.263 1.00 0.00 C +ATOM 42 CA PRO A 42 260.942 237.525 247.975 1.00 0.00 C +ATOM 43 CA ALA A 43 259.922 241.195 247.891 1.00 0.00 C +ATOM 44 CA ALA A 44 259.339 244.641 249.408 1.00 0.00 C +ATOM 45 CA PRO A 45 259.572 248.357 248.602 1.00 0.00 C +ATOM 46 CA PRO A 46 257.178 250.230 246.305 1.00 0.00 C +ATOM 47 CA ALA A 47 254.867 253.214 246.828 1.00 0.00 C +ATOM 48 CA GLY A 48 253.557 255.256 243.890 1.00 0.00 C +ATOM 49 CA ALA A 49 251.929 258.057 241.886 1.00 0.00 C +ATOM 50 CA PRO A 50 252.122 261.707 242.961 1.00 0.00 C +ATOM 51 CA GLY A 51 252.465 265.498 242.803 1.00 0.00 C +ATOM 52 CA GLU A 52 252.995 267.406 246.058 1.00 0.00 C +ATOM 53 CA THR A 53 253.420 265.106 249.066 1.00 0.00 C +ATOM 54 CA PRO A 54 251.328 262.389 250.727 1.00 0.00 C +ATOM 55 CA VAL A 55 248.874 259.488 250.443 1.00 0.00 C +ATOM 56 CA ASP A 56 247.006 256.222 249.844 1.00 0.00 C +ATOM 57 CA GLY A 57 245.521 252.718 250.033 1.00 0.00 C +ATOM 58 CA ASP A 58 245.948 249.616 252.203 1.00 0.00 C +ATOM 59 CA HIS A 59 248.859 247.219 252.754 1.00 0.00 C +ATOM 60 CA ASN A 60 250.022 244.130 250.852 1.00 0.00 C +ATOM 61 CA GLN A 61 252.700 241.905 252.399 1.00 0.00 C +ATOM 62 CA GLY A 62 251.399 240.436 255.665 1.00 0.00 C +ATOM 63 CA GLY A 63 248.422 241.365 257.853 1.00 0.00 C +ATOM 64 CA ALA A 64 246.377 238.732 259.698 1.00 0.00 C +ATOM 65 CA ARG A 65 243.469 239.305 262.092 1.00 0.00 C +ATOM 66 CA PRO A 66 240.729 240.715 264.333 1.00 0.00 C +ATOM 67 CA GLU A 67 239.477 243.994 262.852 1.00 0.00 C +ATOM 68 CA GLY A 68 237.127 246.742 264.054 1.00 0.00 C +ATOM 69 CA LEU A 69 237.973 250.389 263.346 1.00 0.00 C +ATOM 70 CA ASP A 70 240.807 252.905 263.742 1.00 0.00 C +ATOM 71 CA TYR A 71 241.104 254.282 267.282 1.00 0.00 C +ATOM 72 CA GLN A 72 238.896 256.369 269.581 1.00 0.00 C +ATOM 73 CA ARG A 73 235.578 255.537 271.259 1.00 0.00 C +ATOM 74 CA ASP A 74 234.538 258.256 273.718 1.00 0.00 C +ATOM 75 CA LEU A 75 235.703 261.860 273.308 1.00 0.00 C +ATOM 76 CA GLY A 76 237.372 265.270 273.626 1.00 0.00 C +ATOM 77 CA GLN A 77 238.350 267.153 276.791 1.00 0.00 C +ATOM 78 CA GLU A 78 242.124 267.412 277.243 1.00 0.00 C +ATOM 79 CA GLN A 79 244.451 264.846 278.831 1.00 0.00 C +ATOM 80 CA ASP A 80 242.607 262.266 280.942 1.00 0.00 C +ATOM 81 CA ALA A 81 243.329 258.525 280.905 1.00 0.00 C +TER 82 ALA A 81 +END diff --git a/Bacteria/Q0BDT8/Q0BDT8.dcd b/Bacteria/Q0BDT8/Q0BDT8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..3f2fc228cd062923ff4aaec1b894491d38097564 --- /dev/null +++ b/Bacteria/Q0BDT8/Q0BDT8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:579d2ac6dbeab104ffcd0ed464f7bc541826ab5ca16a0d3298c304a4a55ddb77 +size 8000276 diff --git a/Bacteria/Q0BDT8/top.pdb b/Bacteria/Q0BDT8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..640f8e3756e36989a245646ec8bca7b771147608 --- /dev/null +++ b/Bacteria/Q0BDT8/top.pdb @@ -0,0 +1,64 @@ +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 1 240.723 256.915 261.989 1.00 0.00 C +ATOM 2 CA LEU A 2 243.922 254.991 262.751 1.00 0.00 C +ATOM 3 CA ARG A 3 243.784 253.585 266.289 1.00 0.00 C +ATOM 4 CA LEU A 4 246.930 254.726 268.111 1.00 0.00 C +ATOM 5 CA THR A 5 249.227 257.464 269.430 1.00 0.00 C +ATOM 6 CA GLY A 6 250.897 259.707 272.018 1.00 0.00 C +ATOM 7 CA LEU A 7 251.878 257.423 274.905 1.00 0.00 C +ATOM 8 CA ARG A 8 253.824 256.114 277.907 1.00 0.00 C +ATOM 9 CA PRO A 9 257.437 254.930 278.159 1.00 0.00 C +ATOM 10 CA LYS A 10 260.407 256.242 276.165 1.00 0.00 C +ATOM 11 CA PRO A 11 263.905 255.223 275.051 1.00 0.00 C +ATOM 12 CA GLU A 12 265.487 252.575 277.287 1.00 0.00 C +ATOM 13 CA GLN A 13 268.503 251.977 279.538 1.00 0.00 C +ATOM 14 CA PRO A 14 270.120 248.825 278.134 1.00 0.00 C +ATOM 15 CA SER A 15 270.183 248.235 274.371 1.00 0.00 C +ATOM 16 CA LEU A 16 267.118 248.983 272.235 1.00 0.00 C +ATOM 17 CA PRO A 17 264.049 247.255 270.783 1.00 0.00 C +ATOM 18 CA LYS A 18 261.253 249.730 270.023 1.00 0.00 C +ATOM 19 CA GLN A 19 259.415 253.037 269.576 1.00 0.00 C +ATOM 20 CA PRO A 20 260.808 255.719 267.256 1.00 0.00 C +ATOM 21 CA THR A 21 257.757 257.742 266.201 1.00 0.00 C +ATOM 22 CA PRO A 22 255.183 255.355 264.719 1.00 0.00 C +ATOM 23 CA GLN A 23 256.406 251.973 263.460 1.00 0.00 C +ATOM 24 CA GLN A 24 259.224 251.226 261.007 1.00 0.00 C +ATOM 25 CA GLN A 25 259.380 252.502 257.420 1.00 0.00 C +ATOM 26 CA LEU A 26 257.058 253.174 254.476 1.00 0.00 C +ATOM 27 CA HIS A 27 256.491 251.643 251.033 1.00 0.00 C +ATOM 28 CA ARG A 28 253.387 253.385 249.675 1.00 0.00 C +ATOM 29 CA SER A 29 250.195 255.097 248.491 1.00 0.00 C +ATOM 30 CA GLN A 30 246.780 253.637 247.640 1.00 0.00 C +ATOM 31 CA GLN A 31 243.699 253.575 245.401 1.00 0.00 C +ATOM 32 CA PRO A 32 243.859 255.748 242.275 1.00 0.00 C +ATOM 33 CA LYS A 33 240.461 256.250 240.626 1.00 0.00 C +ATOM 34 CA PRO A 34 238.678 254.198 237.956 1.00 0.00 C +ATOM 35 CA THR A 35 238.539 250.746 236.351 1.00 0.00 C +ATOM 36 CA LYS A 36 238.509 247.113 235.204 1.00 0.00 C +ATOM 37 CA GLN A 37 237.774 243.984 237.249 1.00 0.00 C +ATOM 38 CA GLN A 38 240.261 241.775 239.107 1.00 0.00 C +ATOM 39 CA PRO A 39 239.417 238.236 237.975 1.00 0.00 C +ATOM 40 CA LYS A 40 239.287 235.501 235.325 1.00 0.00 C +ATOM 41 CA ARG A 41 238.128 235.355 231.699 1.00 0.00 C +ATOM 42 CA ARG A 42 236.488 236.882 228.618 1.00 0.00 C +ATOM 43 CA SER A 43 235.915 238.903 225.439 1.00 0.00 C +ATOM 44 CA GLN A 44 235.384 242.603 226.177 1.00 0.00 C +ATOM 45 CA HIS A 45 238.115 244.940 224.913 1.00 0.00 C +ATOM 46 CA GLN A 46 240.873 245.134 227.534 1.00 0.00 C +ATOM 47 CA GLN A 47 244.129 245.933 225.722 1.00 0.00 C +ATOM 48 CA LEU A 48 246.821 243.272 225.287 1.00 0.00 C +ATOM 49 CA PRO A 49 250.363 243.631 226.642 1.00 0.00 C +ATOM 50 CA LYS A 50 250.895 241.338 229.638 1.00 0.00 C +ATOM 51 CA GLN A 51 253.013 239.803 232.408 1.00 0.00 C +ATOM 52 CA PRO A 52 253.601 242.472 235.062 1.00 0.00 C +ATOM 53 CA THR A 53 253.080 246.231 235.398 1.00 0.00 C +ATOM 54 CA LYS A 54 250.865 247.100 238.373 1.00 0.00 C +ATOM 55 CA GLN A 55 247.468 248.781 237.984 1.00 0.00 C +ATOM 56 CA GLN A 56 245.655 250.025 234.873 1.00 0.00 C +ATOM 57 CA PRO A 57 245.420 250.635 231.119 1.00 0.00 C +ATOM 58 CA MET A 58 245.180 253.743 228.930 1.00 0.00 C +ATOM 59 CA ARG A 59 243.162 256.975 228.992 1.00 0.00 C +ATOM 60 CA ARG A 60 243.228 259.730 231.623 1.00 0.00 C +TER 61 ARG A 60 +END diff --git a/Bacteria/Q0BF97/Q0BF97.dcd b/Bacteria/Q0BF97/Q0BF97.dcd new file mode 100644 index 0000000000000000000000000000000000000000..33167d8c2948ea2f67f935300aed73f63d8944fb --- /dev/null +++ b/Bacteria/Q0BF97/Q0BF97.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c030da2cbd1ebd1cad0bcbe91c6b7d9919f57483b1ef942541f7277deb3fab4c +size 11720276 diff --git a/Bacteria/Q0BF97/top.pdb b/Bacteria/Q0BF97/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4c17ef897c929311ad6d0da0b84aeca048b21d9e --- /dev/null +++ b/Bacteria/Q0BF97/top.pdb @@ -0,0 +1,95 @@ +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 1 250.156 230.941 251.990 1.00 0.00 C +ATOM 2 CA THR A 2 253.096 233.305 252.521 1.00 0.00 C +ATOM 3 CA GLN A 3 253.834 235.931 255.181 1.00 0.00 C +ATOM 4 CA GLU A 4 250.882 236.303 257.561 1.00 0.00 C +ATOM 5 CA LYS A 5 248.410 239.196 257.372 1.00 0.00 C +ATOM 6 CA ARG A 6 249.261 242.454 259.155 1.00 0.00 C +ATOM 7 CA MET A 7 252.825 242.949 260.406 1.00 0.00 C +ATOM 8 CA ALA A 8 256.409 244.138 260.914 1.00 0.00 C +ATOM 9 CA THR A 9 259.228 245.090 258.535 1.00 0.00 C +ATOM 10 CA ALA A 10 260.652 247.057 255.599 1.00 0.00 C +ATOM 11 CA SER A 11 263.815 247.823 253.618 1.00 0.00 C +ATOM 12 CA ASN A 12 264.560 249.584 250.322 1.00 0.00 C +ATOM 13 CA ALA A 13 263.495 250.365 246.749 1.00 0.00 C +ATOM 14 CA ARG A 14 261.533 249.921 243.513 1.00 0.00 C +ATOM 15 CA GLN A 15 261.433 247.949 240.255 1.00 0.00 C +ATOM 16 CA THR A 16 260.333 248.323 236.626 1.00 0.00 C +ATOM 17 CA ASN A 17 258.621 245.646 234.523 1.00 0.00 C +ATOM 18 CA ASP A 18 258.509 241.842 234.334 1.00 0.00 C +ATOM 19 CA ALA A 19 255.816 239.298 233.446 1.00 0.00 C +ATOM 20 CA GLY A 20 256.551 235.585 233.013 1.00 0.00 C +ATOM 21 CA SER A 21 258.764 232.731 231.800 1.00 0.00 C +ATOM 22 CA THR A 22 257.133 230.155 229.515 1.00 0.00 C +ATOM 23 CA ASP A 23 254.207 230.312 227.079 1.00 0.00 C +ATOM 24 CA GLU A 24 253.651 233.997 226.286 1.00 0.00 C +ATOM 25 CA ARG A 25 253.170 237.580 227.490 1.00 0.00 C +ATOM 26 CA ARG A 26 250.219 239.162 229.308 1.00 0.00 C +ATOM 27 CA ARG A 27 249.503 238.296 232.949 1.00 0.00 C +ATOM 28 CA ASP A 28 249.070 240.363 236.119 1.00 0.00 C +ATOM 29 CA GLY A 29 251.118 241.484 239.130 1.00 0.00 C +ATOM 30 CA GLN A 30 254.687 240.987 240.367 1.00 0.00 C +ATOM 31 CA ARG A 31 258.163 239.435 240.199 1.00 0.00 C +ATOM 32 CA THR A 32 257.985 236.151 242.122 1.00 0.00 C +ATOM 33 CA VAL A 33 256.197 235.913 245.478 1.00 0.00 C +ATOM 34 CA THR A 34 253.008 237.994 245.613 1.00 0.00 C +ATOM 35 CA PRO A 35 249.576 236.721 244.558 1.00 0.00 C +ATOM 36 CA THR A 36 245.842 236.842 245.309 1.00 0.00 C +ATOM 37 CA ARG A 37 242.407 235.354 246.021 1.00 0.00 C +ATOM 38 CA THR A 38 239.300 233.574 247.322 1.00 0.00 C +ATOM 39 CA ARG A 39 237.466 230.290 246.718 1.00 0.00 C +ATOM 40 CA LEU A 40 235.894 227.434 248.689 1.00 0.00 C +ATOM 41 CA ARG A 41 236.158 228.050 252.439 1.00 0.00 C +ATOM 42 CA GLY A 42 239.145 229.722 254.112 1.00 0.00 C +ATOM 43 CA PRO A 43 241.966 228.276 256.225 1.00 0.00 C +ATOM 44 CA ALA A 44 245.710 228.495 256.899 1.00 0.00 C +ATOM 45 CA ALA A 45 246.683 230.917 259.674 1.00 0.00 C +ATOM 46 CA VAL A 46 245.725 234.252 261.247 1.00 0.00 C +ATOM 47 CA SER A 47 245.177 237.671 262.837 1.00 0.00 C +ATOM 48 CA GLN A 48 243.614 240.863 264.209 1.00 0.00 C +ATOM 49 CA VAL A 49 244.256 243.806 266.541 1.00 0.00 C +ATOM 50 CA GLY A 50 244.547 247.253 264.944 1.00 0.00 C +ATOM 51 CA SER A 51 242.668 249.151 262.226 1.00 0.00 C +ATOM 52 CA ARG A 52 243.605 252.666 261.092 1.00 0.00 C +ATOM 53 CA ARG A 53 244.481 255.100 258.295 1.00 0.00 C +ATOM 54 CA ALA A 54 242.292 255.621 255.221 1.00 0.00 C +ATOM 55 CA GLU A 55 244.520 257.059 252.485 1.00 0.00 C +ATOM 56 CA ARG A 56 243.553 260.613 251.509 1.00 0.00 C +ATOM 57 CA GLY A 57 241.853 263.842 252.602 1.00 0.00 C +ATOM 58 CA GLY A 58 242.121 266.392 249.784 1.00 0.00 C +ATOM 59 CA SER A 59 245.722 266.239 248.548 1.00 0.00 C +ATOM 60 CA ASP A 60 247.891 266.869 251.616 1.00 0.00 C +ATOM 61 CA GLY A 61 251.071 264.994 252.562 1.00 0.00 C +ATOM 62 CA ASN A 62 250.108 261.383 253.302 1.00 0.00 C +ATOM 63 CA GLY A 63 250.175 259.212 250.172 1.00 0.00 C +ATOM 64 CA PRO A 64 250.203 261.382 247.041 1.00 0.00 C +ATOM 65 CA VAL A 65 252.990 261.089 244.460 1.00 0.00 C +ATOM 66 CA THR A 66 253.731 257.378 244.015 1.00 0.00 C +ATOM 67 CA PRO A 67 250.576 255.395 243.223 1.00 0.00 C +ATOM 68 CA THR A 68 247.874 253.670 245.282 1.00 0.00 C +ATOM 69 CA SER A 69 248.365 253.173 249.027 1.00 0.00 C +ATOM 70 CA ALA A 70 249.429 249.791 250.423 1.00 0.00 C +ATOM 71 CA GLU A 71 251.218 249.125 253.720 1.00 0.00 C +ATOM 72 CA GLU A 72 253.136 252.150 255.018 1.00 0.00 C +ATOM 73 CA ALA A 73 255.238 254.814 256.752 1.00 0.00 C +ATOM 74 CA GLY A 74 256.354 258.454 256.880 1.00 0.00 C +ATOM 75 CA LYS A 75 257.824 261.126 259.165 1.00 0.00 C +ATOM 76 CA PRO A 76 258.104 264.881 259.741 1.00 0.00 C +ATOM 77 CA LEU A 77 256.316 267.244 257.345 1.00 0.00 C +ATOM 78 CA TRP A 78 256.669 269.183 254.085 1.00 0.00 C +ATOM 79 CA GLU A 79 254.836 272.443 253.359 1.00 0.00 C +ATOM 80 CA ASP A 80 254.482 275.678 255.340 1.00 0.00 C +ATOM 81 CA ASP A 81 252.535 278.880 256.028 1.00 0.00 C +ATOM 82 CA SER A 82 250.940 280.816 253.160 1.00 0.00 C +ATOM 83 CA GLY A 83 247.783 280.012 251.185 1.00 0.00 C +ATOM 84 CA GLU A 84 247.672 276.282 250.414 1.00 0.00 C +ATOM 85 CA MET A 85 247.217 273.079 252.426 1.00 0.00 C +ATOM 86 CA PRO A 86 244.342 271.863 254.611 1.00 0.00 C +ATOM 87 CA PRO A 87 241.377 272.645 256.871 1.00 0.00 C +ATOM 88 CA GLU A 88 237.815 273.876 257.434 1.00 0.00 C +ATOM 89 CA GLU A 89 235.266 276.442 258.632 1.00 0.00 C +ATOM 90 CA TRP A 90 233.851 276.307 262.166 1.00 0.00 C +ATOM 91 CA SER A 91 234.038 275.902 265.950 1.00 0.00 C +TER 92 SER A 91 +END diff --git a/Bacteria/Q0BH19/Q0BH19.dcd b/Bacteria/Q0BH19/Q0BH19.dcd new file mode 100644 index 0000000000000000000000000000000000000000..3037c35155fbdd849e53cc92fb01b66b8d8a462f --- /dev/null +++ b/Bacteria/Q0BH19/Q0BH19.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1afb369842c224469516c154dc7f803f9509acd65ea042f108ba237995c9de9f +size 7880276 diff --git a/Bacteria/Q0BH19/top.pdb b/Bacteria/Q0BH19/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ddd4b92ce1e7b9cde8e81e5d372cadaad4d63c42 --- /dev/null +++ b/Bacteria/Q0BH19/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 1 235.597 230.640 222.274 1.00 0.00 C +ATOM 2 CA ALA A 2 239.325 229.857 222.327 1.00 0.00 C +ATOM 3 CA VAL A 3 242.080 232.421 222.919 1.00 0.00 C +ATOM 4 CA GLN A 4 244.092 234.329 220.306 1.00 0.00 C +ATOM 5 CA GLN A 5 247.297 232.374 219.657 1.00 0.00 C +ATOM 6 CA ASN A 6 250.699 230.724 220.131 1.00 0.00 C +ATOM 7 CA LYS A 7 252.492 227.405 219.599 1.00 0.00 C +ATOM 8 CA LYS A 8 255.557 227.307 217.338 1.00 0.00 C +ATOM 9 CA SER A 9 258.974 227.516 219.010 1.00 0.00 C +ATOM 10 CA PRO A 10 258.326 226.384 222.589 1.00 0.00 C +ATOM 11 CA SER A 11 257.300 229.083 225.075 1.00 0.00 C +ATOM 12 CA LYS A 12 254.836 230.733 227.467 1.00 0.00 C +ATOM 13 CA ARG A 13 253.151 232.782 230.202 1.00 0.00 C +ATOM 14 CA GLY A 14 253.655 234.581 233.523 1.00 0.00 C +ATOM 15 CA MET A 15 255.034 231.954 235.913 1.00 0.00 C +ATOM 16 CA HIS A 16 258.428 230.422 235.110 1.00 0.00 C +ATOM 17 CA ARG A 17 260.036 229.379 238.403 1.00 0.00 C +ATOM 18 CA SER A 18 262.256 230.283 241.364 1.00 0.00 C +ATOM 19 CA HIS A 19 262.406 233.850 242.694 1.00 0.00 C +ATOM 20 CA ASP A 20 259.656 235.040 245.048 1.00 0.00 C +ATOM 21 CA PHE A 21 258.378 235.863 248.541 1.00 0.00 C +ATOM 22 CA LEU A 22 260.031 239.057 249.798 1.00 0.00 C +ATOM 23 CA THR A 23 259.643 241.522 252.677 1.00 0.00 C +ATOM 24 CA ALA A 24 260.829 244.949 251.510 1.00 0.00 C +ATOM 25 CA THR A 25 262.534 245.863 248.227 1.00 0.00 C +ATOM 26 CA PRO A 26 261.785 248.982 246.171 1.00 0.00 C +ATOM 27 CA LEU A 27 260.731 251.956 248.306 1.00 0.00 C +ATOM 28 CA ALA A 28 259.098 252.812 251.640 1.00 0.00 C +ATOM 29 CA VAL A 29 257.166 251.047 254.410 1.00 0.00 C +ATOM 30 CA GLU A 30 258.057 249.132 257.581 1.00 0.00 C +ATOM 31 CA PRO A 31 256.903 246.455 260.034 1.00 0.00 C +ATOM 32 CA SER A 32 253.779 244.297 260.355 1.00 0.00 C +ATOM 33 CA THR A 33 252.412 244.093 256.805 1.00 0.00 C +ATOM 34 CA GLY A 34 251.657 246.206 253.725 1.00 0.00 C +ATOM 35 CA GLU A 35 248.931 248.588 252.536 1.00 0.00 C +ATOM 36 CA VAL A 36 247.142 251.343 254.466 1.00 0.00 C +ATOM 37 CA HIS A 37 248.121 254.597 252.743 1.00 0.00 C +ATOM 38 CA LEU A 38 248.212 258.109 251.270 1.00 0.00 C +ATOM 39 CA ARG A 39 246.177 261.145 252.348 1.00 0.00 C +ATOM 40 CA HIS A 40 245.555 264.682 253.620 1.00 0.00 C +ATOM 41 CA HIS A 41 243.587 265.683 256.725 1.00 0.00 C +ATOM 42 CA VAL A 42 240.576 267.097 258.583 1.00 0.00 C +ATOM 43 CA SER A 43 238.017 266.977 261.403 1.00 0.00 C +ATOM 44 CA PRO A 44 239.565 267.998 264.731 1.00 0.00 C +ATOM 45 CA ASN A 45 237.626 269.804 267.468 1.00 0.00 C +ATOM 46 CA GLY A 46 234.714 271.658 269.082 1.00 0.00 C +ATOM 47 CA TYR A 47 233.157 272.621 272.423 1.00 0.00 C +ATOM 48 CA TYR A 48 232.486 275.748 274.495 1.00 0.00 C +ATOM 49 CA ARG A 49 234.672 277.074 277.319 1.00 0.00 C +ATOM 50 CA GLY A 50 238.179 278.288 276.457 1.00 0.00 C +ATOM 51 CA LYS A 51 240.688 277.028 273.881 1.00 0.00 C +ATOM 52 CA LYS A 52 241.763 273.414 274.431 1.00 0.00 C +ATOM 53 CA VAL A 53 240.650 269.995 273.173 1.00 0.00 C +ATOM 54 CA VAL A 54 243.455 267.628 272.149 1.00 0.00 C +ATOM 55 CA LYS A 55 247.192 266.920 272.366 1.00 0.00 C +ATOM 56 CA THR A 56 248.523 269.343 274.987 1.00 0.00 C +ATOM 57 CA LYS A 57 251.572 271.390 273.971 1.00 0.00 C +ATOM 58 CA ASN A 58 251.935 273.057 270.565 1.00 0.00 C +ATOM 59 CA ASP A 59 253.306 270.513 268.082 1.00 0.00 C +TER 60 ASP A 59 +END diff --git a/Bacteria/Q0BLP6/Q0BLP6.dcd b/Bacteria/Q0BLP6/Q0BLP6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..cfa7161a5a780a0b54bc32e51806fc74d8c6d75f --- /dev/null +++ b/Bacteria/Q0BLP6/Q0BLP6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fef1da0425529ad80d2deaede0996efe84b4a5f09a497ed3e3d04eee3a1293bf +size 8000276 diff --git a/Bacteria/Q0BLP6/top.pdb b/Bacteria/Q0BLP6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..dde3a5038e7c4cb452a725b00e0378595c024629 --- /dev/null +++ b/Bacteria/Q0BLP6/top.pdb @@ -0,0 +1,64 @@ +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 1 274.637 257.755 230.129 1.00 0.00 C +ATOM 2 CA ALA A 2 271.327 257.063 231.885 1.00 0.00 C +ATOM 3 CA VAL A 3 269.785 254.748 234.488 1.00 0.00 C +ATOM 4 CA GLN A 4 270.602 256.203 237.913 1.00 0.00 C +ATOM 5 CA GLN A 5 271.345 255.665 241.611 1.00 0.00 C +ATOM 6 CA VAL A 6 271.731 259.063 243.290 1.00 0.00 C +ATOM 7 CA LYS A 7 269.812 262.066 241.943 1.00 0.00 C +ATOM 8 CA LYS A 8 266.544 262.541 243.843 1.00 0.00 C +ATOM 9 CA SER A 9 266.972 260.420 246.979 1.00 0.00 C +ATOM 10 CA ARG A 10 266.211 261.229 250.624 1.00 0.00 C +ATOM 11 CA SER A 11 262.658 260.232 251.575 1.00 0.00 C +ATOM 12 CA LYS A 12 260.567 259.554 254.687 1.00 0.00 C +ATOM 13 CA ARG A 13 262.527 257.908 257.509 1.00 0.00 C +ATOM 14 CA ASP A 14 260.160 257.778 260.492 1.00 0.00 C +ATOM 15 CA MET A 15 256.576 256.636 259.890 1.00 0.00 C +ATOM 16 CA ARG A 16 255.458 253.290 261.329 1.00 0.00 C +ATOM 17 CA ARG A 17 255.498 249.577 260.476 1.00 0.00 C +ATOM 18 CA SER A 18 253.440 246.412 260.988 1.00 0.00 C +ATOM 19 CA HIS A 19 250.592 244.064 261.934 1.00 0.00 C +ATOM 20 CA ASP A 20 249.358 240.887 260.232 1.00 0.00 C +ATOM 21 CA SER A 21 251.670 238.073 261.348 1.00 0.00 C +ATOM 22 CA LEU A 22 250.963 234.335 261.129 1.00 0.00 C +ATOM 23 CA THR A 23 251.176 230.964 259.367 1.00 0.00 C +ATOM 24 CA ASN A 24 249.162 229.091 256.730 1.00 0.00 C +ATOM 25 CA PRO A 25 248.539 225.625 258.186 1.00 0.00 C +ATOM 26 CA THR A 26 245.091 224.165 257.486 1.00 0.00 C +ATOM 27 CA LEU A 27 243.316 223.825 254.131 1.00 0.00 C +ATOM 28 CA SER A 28 242.554 226.954 252.095 1.00 0.00 C +ATOM 29 CA THR A 29 243.865 230.021 253.937 1.00 0.00 C +ATOM 30 CA ASP A 30 244.195 233.180 251.833 1.00 0.00 C +ATOM 31 CA LYS A 31 243.490 234.978 248.549 1.00 0.00 C +ATOM 32 CA SER A 32 240.543 236.940 247.142 1.00 0.00 C +ATOM 33 CA THR A 33 238.775 240.235 247.876 1.00 0.00 C +ATOM 34 CA GLY A 34 239.677 243.645 249.316 1.00 0.00 C +ATOM 35 CA GLU A 35 237.159 245.993 250.947 1.00 0.00 C +ATOM 36 CA LEU A 36 237.688 248.618 253.658 1.00 0.00 C +ATOM 37 CA HIS A 37 240.493 247.760 256.089 1.00 0.00 C +ATOM 38 CA LEU A 38 242.020 250.879 257.656 1.00 0.00 C +ATOM 39 CA ARG A 39 239.710 253.899 257.411 1.00 0.00 C +ATOM 40 CA HIS A 40 240.396 257.220 255.674 1.00 0.00 C +ATOM 41 CA HIS A 41 240.949 257.468 251.913 1.00 0.00 C +ATOM 42 CA VAL A 42 243.012 259.319 249.298 1.00 0.00 C +ATOM 43 CA SER A 43 246.575 258.075 249.822 1.00 0.00 C +ATOM 44 CA PRO A 44 248.885 259.557 247.180 1.00 0.00 C +ATOM 45 CA ASN A 45 249.835 262.929 245.683 1.00 0.00 C +ATOM 46 CA GLY A 46 248.122 266.059 247.019 1.00 0.00 C +ATOM 47 CA PHE A 47 244.408 266.141 247.869 1.00 0.00 C +ATOM 48 CA TYR A 48 241.415 266.440 245.531 1.00 0.00 C +ATOM 49 CA LYS A 49 238.895 263.628 246.036 1.00 0.00 C +ATOM 50 CA GLY A 50 235.502 261.935 246.408 1.00 0.00 C +ATOM 51 CA ARG A 51 235.686 258.571 244.627 1.00 0.00 C +ATOM 52 CA LYS A 52 237.249 258.351 241.160 1.00 0.00 C +ATOM 53 CA VAL A 53 240.039 255.894 240.325 1.00 0.00 C +ATOM 54 CA VAL A 54 241.605 253.540 242.879 1.00 0.00 C +ATOM 55 CA ASP A 55 241.540 253.400 246.686 1.00 0.00 C +ATOM 56 CA THR A 56 243.009 250.037 247.711 1.00 0.00 C +ATOM 57 CA LYS A 57 245.986 247.674 247.451 1.00 0.00 C +ATOM 58 CA SER A 58 245.081 244.381 245.762 1.00 0.00 C +ATOM 59 CA GLU A 59 246.847 242.335 243.076 1.00 0.00 C +ATOM 60 CA ASP A 60 249.080 244.776 241.187 1.00 0.00 C +TER 61 ASP A 60 +END diff --git a/Bacteria/Q0BRM3/Q0BRM3.dcd b/Bacteria/Q0BRM3/Q0BRM3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..57d14d2db01892517fa4b17cf20bb16d1a486cd3 --- /dev/null +++ b/Bacteria/Q0BRM3/Q0BRM3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:aaae0c13386118cc5dffac22e61d6b1d6712026515bcfc9383691e5e405dc2f9 +size 8360276 diff --git a/Bacteria/Q0BRM3/top.pdb b/Bacteria/Q0BRM3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c9dc8c370344a37de10b8be3313a1febd69bc053 --- /dev/null +++ b/Bacteria/Q0BRM3/top.pdb @@ -0,0 +1,67 @@ +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 1 256.071 260.294 229.847 1.00 0.00 C +ATOM 2 CA SER A 2 253.810 260.770 226.817 1.00 0.00 C +ATOM 3 CA SER A 3 250.139 260.442 227.781 1.00 0.00 C +ATOM 4 CA ARG A 4 246.676 261.197 229.180 1.00 0.00 C +ATOM 5 CA HIS A 5 245.194 259.550 232.279 1.00 0.00 C +ATOM 6 CA GLY A 6 242.340 261.001 234.345 1.00 0.00 C +ATOM 7 CA LEU A 7 242.176 264.305 236.235 1.00 0.00 C +ATOM 8 CA GLY A 8 244.375 266.935 234.573 1.00 0.00 C +ATOM 9 CA SER A 9 244.703 269.585 231.855 1.00 0.00 C +ATOM 10 CA ILE A 10 248.458 269.978 231.342 1.00 0.00 C +ATOM 11 CA SER A 11 251.395 268.576 233.323 1.00 0.00 C +ATOM 12 CA ALA A 12 250.155 266.334 236.143 1.00 0.00 C +ATOM 13 CA HIS A 13 250.533 263.134 238.176 1.00 0.00 C +ATOM 14 CA ALA A 14 253.795 261.244 237.628 1.00 0.00 C +ATOM 15 CA GLU A 15 256.240 258.323 237.509 1.00 0.00 C +ATOM 16 CA GLU A 16 259.188 259.030 235.202 1.00 0.00 C +ATOM 17 CA PRO A 17 262.105 259.980 237.461 1.00 0.00 C +ATOM 18 CA GLY A 18 263.671 259.689 240.922 1.00 0.00 C +ATOM 19 CA ARG A 19 262.290 257.050 243.298 1.00 0.00 C +ATOM 20 CA GLY A 20 265.361 255.148 244.510 1.00 0.00 C +ATOM 21 CA ARG A 21 268.327 254.736 242.155 1.00 0.00 C +ATOM 22 CA LYS A 22 271.686 255.518 243.774 1.00 0.00 C +ATOM 23 CA SER A 23 272.851 252.526 245.825 1.00 0.00 C +ATOM 24 CA LYS A 24 270.429 249.608 245.454 1.00 0.00 C +ATOM 25 CA ASN A 25 267.733 247.843 243.421 1.00 0.00 C +ATOM 26 CA VAL A 26 264.667 245.586 243.545 1.00 0.00 C +ATOM 27 CA HIS A 27 261.483 247.489 244.414 1.00 0.00 C +ATOM 28 CA ARG A 28 260.979 248.582 248.029 1.00 0.00 C +ATOM 29 CA VAL A 29 258.179 246.806 249.906 1.00 0.00 C +ATOM 30 CA TYR A 30 255.323 247.704 252.261 1.00 0.00 C +ATOM 31 CA LEU A 31 254.358 251.387 252.405 1.00 0.00 C +ATOM 32 CA ARG A 32 256.464 254.329 251.211 1.00 0.00 C +ATOM 33 CA ALA A 33 259.802 255.592 249.876 1.00 0.00 C +ATOM 34 CA ARG A 34 259.562 259.379 249.533 1.00 0.00 C +ATOM 35 CA GLY A 35 256.203 261.053 250.189 1.00 0.00 C +ATOM 36 CA GLY A 36 252.762 259.474 250.616 1.00 0.00 C +ATOM 37 CA THR A 37 250.691 260.516 253.640 1.00 0.00 C +ATOM 38 CA SER A 38 247.572 258.338 253.852 1.00 0.00 C +ATOM 39 CA ARG A 39 246.675 254.660 253.420 1.00 0.00 C +ATOM 40 CA GLY A 40 248.642 252.103 255.447 1.00 0.00 C +ATOM 41 CA LEU A 41 249.570 248.409 255.521 1.00 0.00 C +ATOM 42 CA LEU A 42 247.708 245.522 257.170 1.00 0.00 C +ATOM 43 CA SER A 43 243.987 246.332 257.294 1.00 0.00 C +ATOM 44 CA GLU A 44 242.463 243.515 259.357 1.00 0.00 C +ATOM 45 CA ASN A 45 238.887 243.270 260.650 1.00 0.00 C +ATOM 46 CA PRO A 46 235.451 244.669 259.784 1.00 0.00 C +ATOM 47 CA ALA A 47 232.023 244.279 261.401 1.00 0.00 C +ATOM 48 CA GLY A 48 228.909 244.556 263.579 1.00 0.00 C +ATOM 49 CA GLY A 49 227.190 243.412 266.780 1.00 0.00 C +ATOM 50 CA LEU A 50 228.482 241.213 269.611 1.00 0.00 C +ATOM 51 CA SER A 51 229.882 237.772 268.765 1.00 0.00 C +ATOM 52 CA PRO A 52 233.635 237.415 269.317 1.00 0.00 C +ATOM 53 CA ARG A 53 234.836 237.304 272.931 1.00 0.00 C +ATOM 54 CA THR A 54 238.644 237.223 273.010 1.00 0.00 C +ATOM 55 CA ARG A 55 239.483 233.507 272.923 1.00 0.00 C +ATOM 56 CA ARG A 56 239.578 232.655 269.210 1.00 0.00 C +ATOM 57 CA ASN A 57 242.526 231.077 267.385 1.00 0.00 C +ATOM 58 CA LEU A 58 241.419 227.766 265.859 1.00 0.00 C +ATOM 59 CA ILE A 59 242.873 225.777 262.953 1.00 0.00 C +ATOM 60 CA SER A 60 245.529 226.659 260.368 1.00 0.00 C +ATOM 61 CA SER A 61 249.287 226.355 259.818 1.00 0.00 C +ATOM 62 CA ARG A 62 251.011 223.110 260.825 1.00 0.00 C +ATOM 63 CA ILE A 63 253.569 222.412 258.089 1.00 0.00 C +TER 64 ILE A 63 +END diff --git a/Bacteria/Q0BUJ4/Q0BUJ4.dcd b/Bacteria/Q0BUJ4/Q0BUJ4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b86f89b4997b7f7ac85ba2d01784a7bebfab96b8 --- /dev/null +++ b/Bacteria/Q0BUJ4/Q0BUJ4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:844e3825ec4d1651214525e5586405f85e2f89b6125daaa07a27f391d7ed056f +size 8960276 diff --git a/Bacteria/Q0BUJ4/top.pdb b/Bacteria/Q0BUJ4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ea2f7006d05ff533cbc2c8dce116c1648a87dffa --- /dev/null +++ b/Bacteria/Q0BUJ4/top.pdb @@ -0,0 +1,72 @@ +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 1 237.618 262.041 267.454 1.00 0.00 C +ATOM 2 CA SER A 2 238.265 259.724 270.409 1.00 0.00 C +ATOM 3 CA ALA A 3 236.104 258.071 273.076 1.00 0.00 C +ATOM 4 CA VAL A 4 234.428 255.024 274.634 1.00 0.00 C +ATOM 5 CA THR A 5 233.911 251.406 273.558 1.00 0.00 C +ATOM 6 CA GLU A 6 231.648 249.135 275.617 1.00 0.00 C +ATOM 7 CA THR A 7 229.779 245.847 276.080 1.00 0.00 C +ATOM 8 CA GLN A 8 228.213 243.075 273.988 1.00 0.00 C +ATOM 9 CA PRO A 9 229.588 239.945 272.306 1.00 0.00 C +ATOM 10 CA ASP A 10 230.902 237.305 269.893 1.00 0.00 C +ATOM 11 CA VAL A 11 233.095 236.163 266.995 1.00 0.00 C +ATOM 12 CA LEU A 12 234.947 233.197 265.481 1.00 0.00 C +ATOM 13 CA PRO A 13 234.118 229.899 263.762 1.00 0.00 C +ATOM 14 CA VAL A 14 234.194 230.302 259.974 1.00 0.00 C +ATOM 15 CA ASP A 15 237.233 228.625 258.404 1.00 0.00 C +ATOM 16 CA GLN A 16 240.368 230.586 257.487 1.00 0.00 C +ATOM 17 CA HIS A 17 243.269 232.845 256.487 1.00 0.00 C +ATOM 18 CA ALA A 18 246.629 234.340 257.481 1.00 0.00 C +ATOM 19 CA ARG A 19 249.801 234.552 259.581 1.00 0.00 C +ATOM 20 CA PRO A 20 250.982 236.774 262.442 1.00 0.00 C +ATOM 21 CA SER A 21 252.214 240.232 261.420 1.00 0.00 C +ATOM 22 CA HIS A 22 249.570 242.973 261.306 1.00 0.00 C +ATOM 23 CA GLN A 23 246.745 243.769 258.876 1.00 0.00 C +ATOM 24 CA SER A 24 245.902 247.149 257.334 1.00 0.00 C +ATOM 25 CA GLU A 25 247.496 250.319 258.722 1.00 0.00 C +ATOM 26 CA GLU A 26 249.699 253.423 258.900 1.00 0.00 C +ATOM 27 CA GLU A 27 249.928 256.871 257.297 1.00 0.00 C +ATOM 28 CA SER A 28 252.763 258.040 255.036 1.00 0.00 C +ATOM 29 CA ALA A 29 252.131 256.595 251.568 1.00 0.00 C +ATOM 30 CA VAL A 30 251.874 258.907 248.551 1.00 0.00 C +ATOM 31 CA ALA A 31 248.707 260.876 247.769 1.00 0.00 C +ATOM 32 CA PRO A 32 245.592 259.348 249.344 1.00 0.00 C +ATOM 33 CA ARG A 33 242.708 256.859 249.355 1.00 0.00 C +ATOM 34 CA PRO A 34 242.535 253.301 250.707 1.00 0.00 C +ATOM 35 CA ARG A 35 243.645 249.885 251.978 1.00 0.00 C +ATOM 36 CA GLY A 36 246.016 247.540 250.136 1.00 0.00 C +ATOM 37 CA ARG A 37 249.695 248.518 249.968 1.00 0.00 C +ATOM 38 CA ARG A 38 252.783 248.988 252.149 1.00 0.00 C +ATOM 39 CA PRO A 39 254.864 251.315 254.332 1.00 0.00 C +ATOM 40 CA GLY A 40 258.242 250.055 255.565 1.00 0.00 C +ATOM 41 CA ARG A 41 261.805 249.189 254.531 1.00 0.00 C +ATOM 42 CA PRO A 42 262.530 246.799 251.654 1.00 0.00 C +ATOM 43 CA ARG A 43 264.203 245.843 248.367 1.00 0.00 C +ATOM 44 CA THR A 44 262.560 247.294 245.251 1.00 0.00 C +ATOM 45 CA ARG A 45 259.088 247.037 243.702 1.00 0.00 C +ATOM 46 CA HIS A 46 257.138 245.029 241.118 1.00 0.00 C +ATOM 47 CA ILE A 47 253.596 246.418 241.316 1.00 0.00 C +ATOM 48 CA ALA A 48 252.733 248.352 244.483 1.00 0.00 C +ATOM 49 CA PRO A 49 249.810 250.594 243.511 1.00 0.00 C +ATOM 50 CA GLU A 50 250.581 254.261 242.822 1.00 0.00 C +ATOM 51 CA GLY A 51 253.616 255.663 240.993 1.00 0.00 C +ATOM 52 CA VAL A 52 256.981 254.122 240.090 1.00 0.00 C +ATOM 53 CA GLY A 53 259.397 251.414 238.930 1.00 0.00 C +ATOM 54 CA ASP A 54 261.183 251.056 235.583 1.00 0.00 C +ATOM 55 CA GLN A 55 263.562 251.013 232.607 1.00 0.00 C +ATOM 56 CA PRO A 56 262.852 251.883 228.966 1.00 0.00 C +ATOM 57 CA GLU A 57 266.194 253.010 227.524 1.00 0.00 C +ATOM 58 CA LEU A 58 269.550 254.149 226.125 1.00 0.00 C +ATOM 59 CA SER A 59 271.856 257.159 226.494 1.00 0.00 C +ATOM 60 CA ALA A 60 269.944 260.449 226.698 1.00 0.00 C +ATOM 61 CA THR A 61 268.478 263.324 224.673 1.00 0.00 C +ATOM 62 CA PRO A 62 266.598 264.834 221.723 1.00 0.00 C +ATOM 63 CA VAL A 63 262.863 264.428 222.362 1.00 0.00 C +ATOM 64 CA ASP A 64 259.068 264.594 222.648 1.00 0.00 C +ATOM 65 CA ALA A 65 256.987 263.163 225.501 1.00 0.00 C +ATOM 66 CA GLY A 66 253.415 264.430 225.892 1.00 0.00 C +ATOM 67 CA GLU A 67 251.534 264.451 229.205 1.00 0.00 C +ATOM 68 CA VAL A 68 253.676 266.222 231.811 1.00 0.00 C +TER 69 VAL A 68 +END diff --git a/Bacteria/Q0BVH9/Q0BVH9.dcd b/Bacteria/Q0BVH9/Q0BVH9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..3acb0faa772948f64376d7a9c712f40a3dffefc2 --- /dev/null +++ b/Bacteria/Q0BVH9/Q0BVH9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a9d1eb5881bc55b7b1354365dc27bd35ae813a005865da630b26df3b8c9a9226 +size 8960276 diff --git a/Bacteria/Q0BVH9/top.pdb b/Bacteria/Q0BVH9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a2fc269f37754d640060afff48966b68bc3c8b80 --- /dev/null +++ b/Bacteria/Q0BVH9/top.pdb @@ -0,0 +1,72 @@ +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 1 208.574 246.294 217.877 1.00 0.00 C +ATOM 2 CA MET A 2 207.033 248.054 220.884 1.00 0.00 C +ATOM 3 CA LYS A 3 205.588 251.212 222.451 1.00 0.00 C +ATOM 4 CA GLU A 4 203.564 252.850 225.233 1.00 0.00 C +ATOM 5 CA GLN A 5 205.606 254.488 228.002 1.00 0.00 C +ATOM 6 CA GLY A 6 206.875 257.041 230.528 1.00 0.00 C +ATOM 7 CA SER A 7 209.366 259.824 229.776 1.00 0.00 C +ATOM 8 CA HIS A 8 212.556 260.773 231.630 1.00 0.00 C +ATOM 9 CA VAL A 9 213.944 259.048 234.731 1.00 0.00 C +ATOM 10 CA MET A 10 216.862 260.303 236.835 1.00 0.00 C +ATOM 11 CA ALA A 11 219.284 258.250 238.941 1.00 0.00 C +ATOM 12 CA GLY A 12 222.026 259.736 241.129 1.00 0.00 C +ATOM 13 CA THR A 13 221.554 259.257 244.880 1.00 0.00 C +ATOM 14 CA ASP A 14 223.672 257.914 247.748 1.00 0.00 C +ATOM 15 CA GLN A 15 225.934 255.771 249.941 1.00 0.00 C +ATOM 16 CA LYS A 16 229.556 256.116 248.810 1.00 0.00 C +ATOM 17 CA PRO A 17 233.359 256.098 249.031 1.00 0.00 C +ATOM 18 CA VAL A 18 237.109 256.752 249.193 1.00 0.00 C +ATOM 19 CA PRO A 19 240.919 256.747 249.180 1.00 0.00 C +ATOM 20 CA ASP A 20 244.537 257.055 248.024 1.00 0.00 C +ATOM 21 CA ARG A 21 247.670 257.691 245.952 1.00 0.00 C +ATOM 22 CA ASP A 22 250.660 256.502 247.993 1.00 0.00 C +ATOM 23 CA GLY A 23 252.807 259.277 249.476 1.00 0.00 C +ATOM 24 CA HIS A 24 255.697 261.722 249.041 1.00 0.00 C +ATOM 25 CA LYS A 25 255.221 265.476 248.593 1.00 0.00 C +ATOM 26 CA GLU A 26 252.658 267.346 250.702 1.00 0.00 C +ATOM 27 CA THR A 27 254.428 270.156 252.570 1.00 0.00 C +ATOM 28 CA VAL A 28 256.695 269.863 255.618 1.00 0.00 C +ATOM 29 CA THR A 29 256.276 269.520 259.389 1.00 0.00 C +ATOM 30 CA PRO A 30 257.008 266.078 260.849 1.00 0.00 C +ATOM 31 CA ILE A 31 259.777 264.776 263.119 1.00 0.00 C +ATOM 32 CA ASP A 32 258.873 262.349 265.914 1.00 0.00 C +ATOM 33 CA PRO A 33 260.297 258.886 265.209 1.00 0.00 C +ATOM 34 CA ALA A 34 263.229 257.973 262.954 1.00 0.00 C +ATOM 35 CA THR A 35 264.334 254.339 263.252 1.00 0.00 C +ATOM 36 CA ILE A 36 264.229 252.140 260.142 1.00 0.00 C +ATOM 37 CA ALA A 37 262.358 253.245 257.012 1.00 0.00 C +ATOM 38 CA ASP A 38 261.749 252.943 253.263 1.00 0.00 C +ATOM 39 CA THR A 39 262.204 250.146 250.717 1.00 0.00 C +ATOM 40 CA ALA A 40 261.814 248.814 247.168 1.00 0.00 C +ATOM 41 CA GLN A 41 260.066 245.429 247.153 1.00 0.00 C +ATOM 42 CA PRO A 42 259.411 244.481 243.522 1.00 0.00 C +ATOM 43 CA VAL A 43 258.795 241.896 240.791 1.00 0.00 C +ATOM 44 CA GLU A 44 259.562 241.676 237.065 1.00 0.00 C +ATOM 45 CA HIS A 45 260.195 238.063 236.036 1.00 0.00 C +ATOM 46 CA GLY A 46 262.122 234.777 236.130 1.00 0.00 C +ATOM 47 CA GLY A 47 265.634 235.330 237.499 1.00 0.00 C +ATOM 48 CA PRO A 48 268.610 237.654 238.008 1.00 0.00 C +ATOM 49 CA LYS A 49 270.598 237.923 241.247 1.00 0.00 C +ATOM 50 CA GLY A 50 269.247 239.700 244.335 1.00 0.00 C +ATOM 51 CA PRO A 51 268.221 237.588 247.335 1.00 0.00 C +ATOM 52 CA GLU A 52 269.150 237.335 251.021 1.00 0.00 C +ATOM 53 CA PRO A 53 270.318 239.290 254.075 1.00 0.00 C +ATOM 54 CA THR A 54 270.097 242.352 256.332 1.00 0.00 C +ATOM 55 CA ARG A 55 270.291 242.156 260.132 1.00 0.00 C +ATOM 56 CA PHE A 56 273.798 242.452 261.591 1.00 0.00 C +ATOM 57 CA GLY A 57 275.894 242.481 264.772 1.00 0.00 C +ATOM 58 CA ASP A 58 275.441 239.087 266.443 1.00 0.00 C +ATOM 59 CA TRP A 59 272.562 237.250 264.754 1.00 0.00 C +ATOM 60 CA GLU A 60 268.826 236.597 265.113 1.00 0.00 C +ATOM 61 CA ARG A 61 267.705 233.121 266.198 1.00 0.00 C +ATOM 62 CA ASN A 62 264.649 232.035 268.198 1.00 0.00 C +ATOM 63 CA GLY A 63 260.983 232.410 269.165 1.00 0.00 C +ATOM 64 CA ARG A 64 259.082 234.286 266.448 1.00 0.00 C +ATOM 65 CA CYS A 65 259.096 237.938 267.533 1.00 0.00 C +ATOM 66 CA ILE A 66 261.379 238.977 270.401 1.00 0.00 C +ATOM 67 CA ASP A 67 264.515 238.369 272.477 1.00 0.00 C +ATOM 68 CA PHE A 68 267.848 236.523 272.468 1.00 0.00 C +TER 69 PHE A 68 +END diff --git a/Bacteria/Q0BXS5/Q0BXS5.dcd b/Bacteria/Q0BXS5/Q0BXS5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..16d1a4dbef0eafc04a21b7df26d9e8182fa634ca --- /dev/null +++ b/Bacteria/Q0BXS5/Q0BXS5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ee030d53ad673e05cc55f2ac9ab85d62355daa783a7085ae664909b7bbc04d8c +size 15800276 diff --git a/Bacteria/Q0BXS5/top.pdb b/Bacteria/Q0BXS5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1e80ecf90243523d6f6261c57978c23b2ce697c4 --- /dev/null +++ b/Bacteria/Q0BXS5/top.pdb @@ -0,0 +1,129 @@ +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 1 215.490 238.460 266.096 1.00 0.00 C +ATOM 2 CA GLY A 2 218.669 239.571 264.314 1.00 0.00 C +ATOM 3 CA TRP A 3 221.154 241.462 266.498 1.00 0.00 C +ATOM 4 CA PRO A 4 220.214 240.790 270.128 1.00 0.00 C +ATOM 5 CA ARG A 5 220.914 239.844 273.752 1.00 0.00 C +ATOM 6 CA PRO A 6 222.120 242.790 275.845 1.00 0.00 C +ATOM 7 CA ALA A 7 222.341 245.787 278.187 1.00 0.00 C +ATOM 8 CA PRO A 8 220.398 248.552 279.947 1.00 0.00 C +ATOM 9 CA SER A 9 222.853 251.420 280.458 1.00 0.00 C +ATOM 10 CA SER A 10 224.056 254.404 282.500 1.00 0.00 C +ATOM 11 CA SER A 11 227.151 253.910 284.666 1.00 0.00 C +ATOM 12 CA PRO A 12 230.855 253.366 283.955 1.00 0.00 C +ATOM 13 CA PRO A 13 233.236 252.772 281.040 1.00 0.00 C +ATOM 14 CA PRO A 14 236.734 251.342 280.554 1.00 0.00 C +ATOM 15 CA SER A 15 240.334 250.432 279.703 1.00 0.00 C +ATOM 16 CA SER A 16 243.341 249.924 277.418 1.00 0.00 C +ATOM 17 CA PRO A 17 245.925 248.487 275.016 1.00 0.00 C +ATOM 18 CA ALA A 18 248.651 247.957 272.407 1.00 0.00 C +ATOM 19 CA GLN A 19 248.683 244.302 271.332 1.00 0.00 C +ATOM 20 CA THR A 20 250.297 243.388 268.004 1.00 0.00 C +ATOM 21 CA ARG A 21 251.316 244.677 264.566 1.00 0.00 C +ATOM 22 CA PRO A 22 250.502 246.973 261.637 1.00 0.00 C +ATOM 23 CA PRO A 23 248.510 248.207 258.633 1.00 0.00 C +ATOM 24 CA SER A 24 247.399 251.633 257.391 1.00 0.00 C +ATOM 25 CA ALA A 25 247.654 254.194 260.200 1.00 0.00 C +ATOM 26 CA PRO A 26 248.094 255.750 263.650 1.00 0.00 C +ATOM 27 CA THR A 27 248.173 252.779 266.034 1.00 0.00 C +ATOM 28 CA GLY A 28 246.795 254.162 269.305 1.00 0.00 C +ATOM 29 CA SER A 29 245.226 256.702 271.673 1.00 0.00 C +ATOM 30 CA PRO A 30 242.963 256.332 274.716 1.00 0.00 C +ATOM 31 CA SER A 31 241.900 256.601 278.365 1.00 0.00 C +ATOM 32 CA PRO A 32 239.036 258.971 279.199 1.00 0.00 C +ATOM 33 CA ALA A 33 238.622 262.111 281.318 1.00 0.00 C +ATOM 34 CA SER A 34 236.476 261.279 284.354 1.00 0.00 C +ATOM 35 CA SER A 35 234.097 260.774 287.287 1.00 0.00 C +ATOM 36 CA PRO A 36 231.378 259.719 289.738 1.00 0.00 C +ATOM 37 CA ALA A 37 232.915 260.058 293.208 1.00 0.00 C +ATOM 38 CA SER A 38 235.987 258.767 295.055 1.00 0.00 C +ATOM 39 CA SER A 39 238.677 261.430 294.616 1.00 0.00 C +ATOM 40 CA PRO A 40 240.627 263.335 297.277 1.00 0.00 C +ATOM 41 CA PRO A 41 242.224 266.787 297.052 1.00 0.00 C +ATOM 42 CA THR A 42 243.585 269.310 299.562 1.00 0.00 C +ATOM 43 CA TRP A 43 244.234 273.060 299.739 1.00 0.00 C +ATOM 44 CA PRO A 44 244.431 274.409 296.182 1.00 0.00 C +ATOM 45 CA GLU A 45 246.116 271.749 294.037 1.00 0.00 C +ATOM 46 CA CYS A 46 246.801 269.497 291.040 1.00 0.00 C +ATOM 47 CA SER A 47 244.070 269.379 288.386 1.00 0.00 C +ATOM 48 CA ARG A 48 245.175 267.261 285.417 1.00 0.00 C +ATOM 49 CA SER A 49 246.114 263.904 283.880 1.00 0.00 C +ATOM 50 CA GLY A 50 248.621 262.735 281.261 1.00 0.00 C +ATOM 51 CA GLY A 51 246.997 261.855 277.929 1.00 0.00 C +ATOM 52 CA PRO A 52 248.035 264.275 275.175 1.00 0.00 C +ATOM 53 CA SER A 53 250.092 264.474 271.974 1.00 0.00 C +ATOM 54 CA PRO A 54 251.384 264.507 268.390 1.00 0.00 C +ATOM 55 CA PRO A 55 252.209 261.164 266.759 1.00 0.00 C +ATOM 56 CA SER A 56 255.429 259.191 266.259 1.00 0.00 C +ATOM 57 CA SER A 57 257.898 260.934 263.937 1.00 0.00 C +ATOM 58 CA ARG A 58 259.726 261.763 260.699 1.00 0.00 C +ATOM 59 CA SER A 59 261.875 264.838 261.364 1.00 0.00 C +ATOM 60 CA PRO A 60 265.300 265.546 259.854 1.00 0.00 C +ATOM 61 CA PRO A 61 268.958 264.533 260.184 1.00 0.00 C +ATOM 62 CA PRO A 62 272.216 266.506 260.267 1.00 0.00 C +ATOM 63 CA GLY A 63 274.654 266.205 263.179 1.00 0.00 C +ATOM 64 CA GLY A 64 276.144 265.646 266.641 1.00 0.00 C +ATOM 65 CA MET A 65 279.566 267.310 266.848 1.00 0.00 C +ATOM 66 CA MET A 66 282.583 269.583 266.356 1.00 0.00 C +ATOM 67 CA PRO A 67 281.890 272.841 264.506 1.00 0.00 C +ATOM 68 CA SER A 68 280.688 274.808 261.473 1.00 0.00 C +ATOM 69 CA GLU A 69 279.032 272.191 259.254 1.00 0.00 C +ATOM 70 CA SER A 70 281.312 270.111 257.020 1.00 0.00 C +ATOM 71 CA ALA A 71 282.513 269.677 253.430 1.00 0.00 C +ATOM 72 CA PRO A 72 281.238 268.694 249.977 1.00 0.00 C +ATOM 73 CA ILE A 73 281.320 268.250 246.194 1.00 0.00 C +ATOM 74 CA THR A 74 280.905 266.657 242.758 1.00 0.00 C +ATOM 75 CA ALA A 75 281.366 264.866 239.427 1.00 0.00 C +ATOM 76 CA SER A 76 280.458 266.973 236.385 1.00 0.00 C +ATOM 77 CA ALA A 77 279.045 264.505 233.851 1.00 0.00 C +ATOM 78 CA SER A 78 280.065 260.994 232.778 1.00 0.00 C +ATOM 79 CA PHE A 79 277.243 258.529 232.087 1.00 0.00 C +ATOM 80 CA SER A 80 278.699 255.631 230.088 1.00 0.00 C +ATOM 81 CA PRO A 81 277.682 254.320 226.658 1.00 0.00 C +ATOM 82 CA THR A 82 275.233 252.582 224.313 1.00 0.00 C +ATOM 83 CA SER A 83 272.210 252.533 221.995 1.00 0.00 C +ATOM 84 CA PHE A 84 268.742 253.842 221.116 1.00 0.00 C +ATOM 85 CA SER A 85 268.572 256.425 218.319 1.00 0.00 C +ATOM 86 CA PRO A 86 266.989 259.849 218.854 1.00 0.00 C +ATOM 87 CA SER A 87 267.083 261.314 222.370 1.00 0.00 C +ATOM 88 CA PRO A 88 265.701 263.792 224.913 1.00 0.00 C +ATOM 89 CA GLY A 89 263.505 262.266 227.628 1.00 0.00 C +ATOM 90 CA SER A 90 261.577 259.338 229.120 1.00 0.00 C +ATOM 91 CA PRO A 91 258.057 259.487 227.671 1.00 0.00 C +ATOM 92 CA HIS A 92 256.953 256.679 225.345 1.00 0.00 C +ATOM 93 CA SER A 93 258.221 253.294 224.139 1.00 0.00 C +ATOM 94 CA ARG A 94 257.169 252.572 220.549 1.00 0.00 C +ATOM 95 CA PHE A 95 255.147 249.810 218.877 1.00 0.00 C +ATOM 96 CA CYS A 96 256.949 246.937 217.140 1.00 0.00 C +ATOM 97 CA ARG A 97 256.596 243.145 217.017 1.00 0.00 C +ATOM 98 CA ARG A 98 253.350 241.350 217.889 1.00 0.00 C +ATOM 99 CA SER A 99 251.867 239.942 214.674 1.00 0.00 C +ATOM 100 CA PRO A 100 250.555 236.833 212.904 1.00 0.00 C +ATOM 101 CA GLY A 101 249.845 234.117 215.480 1.00 0.00 C +ATOM 102 CA SER A 102 246.189 233.362 216.242 1.00 0.00 C +ATOM 103 CA CYS A 103 244.365 230.116 215.433 1.00 0.00 C +ATOM 104 CA LEU A 104 246.429 227.942 213.081 1.00 0.00 C +ATOM 105 CA GLY A 105 249.993 229.010 212.261 1.00 0.00 C +ATOM 106 CA GLN A 106 252.926 227.781 214.359 1.00 0.00 C +ATOM 107 CA THR A 107 252.572 225.001 216.940 1.00 0.00 C +ATOM 108 CA SER A 108 252.694 221.516 215.404 1.00 0.00 C +ATOM 109 CA ALA A 109 250.155 219.516 217.421 1.00 0.00 C +ATOM 110 CA CYS A 110 246.793 217.971 216.512 1.00 0.00 C +ATOM 111 CA MET A 111 243.824 215.646 215.974 1.00 0.00 C +ATOM 112 CA ALA A 112 240.091 215.491 215.226 1.00 0.00 C +ATOM 113 CA ARG A 113 239.256 217.814 212.324 1.00 0.00 C +ATOM 114 CA GLU A 114 235.968 219.032 210.833 1.00 0.00 C +ATOM 115 CA ARG A 115 236.202 218.369 207.088 1.00 0.00 C +ATOM 116 CA GLN A 116 237.353 216.502 203.973 1.00 0.00 C +ATOM 117 CA MET A 117 236.346 217.275 200.381 1.00 0.00 C +ATOM 118 CA PRO A 118 232.552 217.020 200.148 1.00 0.00 C +ATOM 119 CA ASN A 119 228.754 216.997 199.854 1.00 0.00 C +ATOM 120 CA SER A 120 227.662 214.345 197.346 1.00 0.00 C +ATOM 121 CA ARG A 121 226.325 213.004 194.040 1.00 0.00 C +ATOM 122 CA MET A 122 226.099 209.649 192.250 1.00 0.00 C +ATOM 123 CA SER A 123 224.665 209.516 188.723 1.00 0.00 C +ATOM 124 CA GLN A 124 221.998 206.802 188.531 1.00 0.00 C +ATOM 125 CA PRO A 125 218.816 205.330 187.040 1.00 0.00 C +TER 126 PRO A 125 +END diff --git a/Bacteria/Q0BY20/Q0BY20.dcd b/Bacteria/Q0BY20/Q0BY20.dcd new file mode 100644 index 0000000000000000000000000000000000000000..274102feb0c61ed35b4877e6b736378d2cb32205 --- /dev/null +++ b/Bacteria/Q0BY20/Q0BY20.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dc6663d34ab2206ea620d91d8e074235850c37abd4061d80546282b7168d4a28 +size 8360276 diff --git a/Bacteria/Q0BY20/top.pdb b/Bacteria/Q0BY20/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e41375d504806de756e2d931d6186453d327244d --- /dev/null +++ b/Bacteria/Q0BY20/top.pdb @@ -0,0 +1,67 @@ +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 1 235.265 251.190 230.253 1.00 0.00 C +ATOM 2 CA SER A 2 237.168 250.738 233.523 1.00 0.00 C +ATOM 3 CA ASP A 3 237.724 254.286 234.795 1.00 0.00 C +ATOM 4 CA PRO A 4 237.273 255.861 238.235 1.00 0.00 C +ATOM 5 CA VAL A 5 240.704 255.617 239.873 1.00 0.00 C +ATOM 6 CA ASN A 6 241.888 252.658 241.960 1.00 0.00 C +ATOM 7 CA LEU A 7 241.744 250.188 244.858 1.00 0.00 C +ATOM 8 CA ASN A 8 238.097 249.325 245.540 1.00 0.00 C +ATOM 9 CA LYS A 9 234.995 250.142 247.596 1.00 0.00 C +ATOM 10 CA PHE A 10 233.853 247.566 250.160 1.00 0.00 C +ATOM 11 CA ARG A 11 235.238 247.772 253.703 1.00 0.00 C +ATOM 12 CA LYS A 12 238.586 246.300 254.772 1.00 0.00 C +ATOM 13 CA VAL A 13 240.578 244.798 251.893 1.00 0.00 C +ATOM 14 CA LYS A 14 238.474 243.679 248.920 1.00 0.00 C +ATOM 15 CA GLU A 15 238.238 239.876 248.951 1.00 0.00 C +ATOM 16 CA LYS A 16 239.913 237.248 251.144 1.00 0.00 C +ATOM 17 CA ALA A 17 242.943 235.396 249.765 1.00 0.00 C +ATOM 18 CA GLU A 18 245.352 235.583 246.819 1.00 0.00 C +ATOM 19 CA LYS A 19 249.001 236.135 247.768 1.00 0.00 C +ATOM 20 CA GLU A 20 251.729 238.352 249.237 1.00 0.00 C +ATOM 21 CA THR A 21 251.312 240.528 252.337 1.00 0.00 C +ATOM 22 CA ARG A 22 253.010 243.796 253.313 1.00 0.00 C +ATOM 23 CA ALA A 23 253.227 247.560 252.762 1.00 0.00 C +ATOM 24 CA GLN A 24 253.485 250.273 250.100 1.00 0.00 C +ATOM 25 CA GLU A 25 254.002 250.900 246.377 1.00 0.00 C +ATOM 26 CA ASN A 26 251.675 252.817 244.048 1.00 0.00 C +ATOM 27 CA ARG A 27 253.589 254.093 241.010 1.00 0.00 C +ATOM 28 CA ALA A 28 256.039 253.614 238.132 1.00 0.00 C +ATOM 29 CA LYS A 29 258.512 251.456 236.198 1.00 0.00 C +ATOM 30 CA PHE A 30 257.408 247.859 235.598 1.00 0.00 C +ATOM 31 CA GLY A 31 254.009 246.189 236.018 1.00 0.00 C +ATOM 32 CA GLN A 32 252.152 247.228 239.179 1.00 0.00 C +ATOM 33 CA THR A 33 251.586 246.414 242.858 1.00 0.00 C +ATOM 34 CA LYS A 34 247.918 245.807 243.692 1.00 0.00 C +ATOM 35 CA ALA A 35 246.051 243.561 246.138 1.00 0.00 C +ATOM 36 CA ALA A 36 247.157 244.477 249.667 1.00 0.00 C +ATOM 37 CA LYS A 37 247.130 248.001 251.116 1.00 0.00 C +ATOM 38 CA LYS A 38 245.518 250.127 253.835 1.00 0.00 C +ATOM 39 CA LEU A 39 248.267 251.668 255.976 1.00 0.00 C +ATOM 40 CA ASP A 40 248.759 255.430 256.329 1.00 0.00 C +ATOM 41 CA LYS A 41 251.426 257.493 254.555 1.00 0.00 C +ATOM 42 CA ALA A 42 253.278 258.444 251.365 1.00 0.00 C +ATOM 43 CA ARG A 43 252.005 258.638 247.779 1.00 0.00 C +ATOM 44 CA ALA A 44 252.147 260.031 244.235 1.00 0.00 C +ATOM 45 CA ASP A 45 251.079 259.653 240.598 1.00 0.00 C +ATOM 46 CA LYS A 46 253.065 260.148 237.385 1.00 0.00 C +ATOM 47 CA LEU A 47 256.840 260.412 237.830 1.00 0.00 C +ATOM 48 CA LYS A 48 257.791 259.618 241.433 1.00 0.00 C +ATOM 49 CA LYS A 49 260.226 259.605 244.363 1.00 0.00 C +ATOM 50 CA LEU A 50 259.893 259.737 248.156 1.00 0.00 C +ATOM 51 CA THR A 51 259.154 256.460 249.952 1.00 0.00 C +ATOM 52 CA ASP A 52 260.234 253.910 252.569 1.00 0.00 C +ATOM 53 CA GLY A 53 258.808 250.717 254.082 1.00 0.00 C +ATOM 54 CA HIS A 54 258.628 250.868 257.885 1.00 0.00 C +ATOM 55 CA ARG A 55 256.945 251.221 261.284 1.00 0.00 C +ATOM 56 CA LEU A 56 255.780 251.217 264.912 1.00 0.00 C +ATOM 57 CA GLN A 57 254.772 252.703 268.272 1.00 0.00 C +ATOM 58 CA ASP A 58 257.048 251.724 271.166 1.00 0.00 C +ATOM 59 CA PHE A 59 260.782 251.259 271.765 1.00 0.00 C +ATOM 60 CA GLY A 60 262.677 250.610 275.006 1.00 0.00 C +ATOM 61 CA LYS A 61 263.835 247.654 277.113 1.00 0.00 C +ATOM 62 CA ASP A 62 262.859 247.952 280.784 1.00 0.00 C +ATOM 63 CA GLY A 63 261.160 245.417 283.065 1.00 0.00 C +TER 64 GLY A 63 +END diff --git a/Bacteria/Q0BY98/Q0BY98.dcd b/Bacteria/Q0BY98/Q0BY98.dcd new file mode 100644 index 0000000000000000000000000000000000000000..eedb401b5b9581fb88fc8b9c0ca24c9a2d285df9 --- /dev/null +++ b/Bacteria/Q0BY98/Q0BY98.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:41092e9c27b48cbf9a3058803cb95e20898f3f35adbfbfb50d9078a34abceb0a +size 15680276 diff --git a/Bacteria/Q0BY98/top.pdb b/Bacteria/Q0BY98/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4e7fb4d6560bac1c70e3d78424e1008717a4d64e --- /dev/null +++ b/Bacteria/Q0BY98/top.pdb @@ -0,0 +1,128 @@ +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 1 232.391 235.848 244.516 1.00 0.00 C +ATOM 2 CA ARG A 2 228.767 236.846 243.892 1.00 0.00 C +ATOM 3 CA GLY A 3 226.716 235.700 240.893 1.00 0.00 C +ATOM 4 CA PRO A 4 225.045 238.286 238.649 1.00 0.00 C +ATOM 5 CA MET A 5 226.577 241.736 239.166 1.00 0.00 C +ATOM 6 CA PRO A 6 227.969 244.294 236.710 1.00 0.00 C +ATOM 7 CA PRO A 7 226.633 247.135 234.551 1.00 0.00 C +ATOM 8 CA ILE A 8 223.776 249.094 236.138 1.00 0.00 C +ATOM 9 CA ARG A 9 224.455 252.739 235.263 1.00 0.00 C +ATOM 10 CA VAL A 10 227.659 254.366 233.997 1.00 0.00 C +ATOM 11 CA ARG A 11 228.329 258.100 234.349 1.00 0.00 C +ATOM 12 CA SER A 12 231.406 259.093 232.335 1.00 0.00 C +ATOM 13 CA SER A 13 233.121 262.412 231.588 1.00 0.00 C +ATOM 14 CA GLY A 14 236.007 262.762 234.051 1.00 0.00 C +ATOM 15 CA VAL A 15 238.711 263.236 236.693 1.00 0.00 C +ATOM 16 CA ALA A 16 241.512 265.664 237.574 1.00 0.00 C +ATOM 17 CA SER A 17 244.756 264.116 238.838 1.00 0.00 C +ATOM 18 CA THR A 18 246.039 260.544 238.497 1.00 0.00 C +ATOM 19 CA GLY A 19 243.703 257.743 237.393 1.00 0.00 C +ATOM 20 CA PRO A 20 241.799 258.430 234.165 1.00 0.00 C +ATOM 21 CA SER A 21 243.443 260.443 231.379 1.00 0.00 C +ATOM 22 CA ARG A 22 245.952 262.361 229.249 1.00 0.00 C +ATOM 23 CA ALA A 23 247.095 265.830 230.335 1.00 0.00 C +ATOM 24 CA LYS A 24 245.695 268.243 232.931 1.00 0.00 C +ATOM 25 CA GLY A 25 248.006 269.937 235.442 1.00 0.00 C +ATOM 26 CA ARG A 26 251.501 271.188 234.585 1.00 0.00 C +ATOM 27 CA ALA A 27 253.796 270.803 237.601 1.00 0.00 C +ATOM 28 CA GLY A 28 254.807 267.418 239.028 1.00 0.00 C +ATOM 29 CA THR A 29 258.030 266.814 240.969 1.00 0.00 C +ATOM 30 CA THR A 30 261.074 264.546 240.655 1.00 0.00 C +ATOM 31 CA ALA A 31 261.734 262.275 237.667 1.00 0.00 C +ATOM 32 CA SER A 32 258.928 259.882 236.710 1.00 0.00 C +ATOM 33 CA ALA A 33 258.163 258.898 233.110 1.00 0.00 C +ATOM 34 CA SER A 34 255.293 257.435 231.076 1.00 0.00 C +ATOM 35 CA SER A 35 255.324 258.929 227.572 1.00 0.00 C +ATOM 36 CA ALA A 36 258.372 257.917 225.522 1.00 0.00 C +ATOM 37 CA SER A 37 261.100 255.288 225.117 1.00 0.00 C +ATOM 38 CA ALA A 38 262.924 253.002 222.674 1.00 0.00 C +ATOM 39 CA MET A 39 265.146 255.247 220.543 1.00 0.00 C +ATOM 40 CA ALA A 40 264.369 258.973 220.383 1.00 0.00 C +ATOM 41 CA SER A 41 265.769 260.999 217.476 1.00 0.00 C +ATOM 42 CA SER A 42 267.598 264.303 216.972 1.00 0.00 C +ATOM 43 CA ALA A 43 269.110 266.488 214.241 1.00 0.00 C +ATOM 44 CA SER A 44 267.532 269.599 212.709 1.00 0.00 C +ATOM 45 CA SER A 45 265.553 272.423 214.329 1.00 0.00 C +ATOM 46 CA ARG A 46 266.748 275.904 215.317 1.00 0.00 C +ATOM 47 CA PRO A 47 263.577 277.665 216.481 1.00 0.00 C +ATOM 48 CA ARG A 48 262.733 279.944 219.416 1.00 0.00 C +ATOM 49 CA MET A 49 260.193 281.253 221.936 1.00 0.00 C +ATOM 50 CA ALA A 50 261.970 283.136 224.731 1.00 0.00 C +ATOM 51 CA SER A 51 262.740 282.943 228.458 1.00 0.00 C +ATOM 52 CA ALA A 52 262.894 284.712 231.829 1.00 0.00 C +ATOM 53 CA ALA A 53 262.542 282.705 235.048 1.00 0.00 C +ATOM 54 CA GLU A 54 262.629 279.528 237.149 1.00 0.00 C +ATOM 55 CA GLY A 55 265.378 278.388 239.527 1.00 0.00 C +ATOM 56 CA PRO A 56 265.779 277.799 243.270 1.00 0.00 C +ATOM 57 CA SER A 57 269.200 276.491 244.320 1.00 0.00 C +ATOM 58 CA PRO A 58 272.888 277.208 244.955 1.00 0.00 C +ATOM 59 CA SER A 59 274.162 280.206 246.932 1.00 0.00 C +ATOM 60 CA SER A 60 272.960 283.745 247.669 1.00 0.00 C +ATOM 61 CA SER A 61 270.696 285.229 250.350 1.00 0.00 C +ATOM 62 CA SER A 62 267.124 285.496 251.649 1.00 0.00 C +ATOM 63 CA ALA A 63 264.106 283.213 251.202 1.00 0.00 C +ATOM 64 CA SER A 64 263.764 279.947 249.271 1.00 0.00 C +ATOM 65 CA SER A 65 262.359 277.334 251.662 1.00 0.00 C +ATOM 66 CA SER A 66 263.576 273.924 252.849 1.00 0.00 C +ATOM 67 CA PRO A 67 265.567 270.716 253.359 1.00 0.00 C +ATOM 68 CA SER A 68 267.207 267.317 253.878 1.00 0.00 C +ATOM 69 CA SER A 69 265.384 264.810 256.094 1.00 0.00 C +ATOM 70 CA THR A 70 261.731 264.440 257.113 1.00 0.00 C +ATOM 71 CA SER A 71 260.164 261.012 256.557 1.00 0.00 C +ATOM 72 CA SER A 72 256.788 260.227 258.138 1.00 0.00 C +ATOM 73 CA SER A 73 253.933 258.212 259.658 1.00 0.00 C +ATOM 74 CA SER A 74 253.750 255.866 262.654 1.00 0.00 C +ATOM 75 CA SER A 75 251.172 256.826 265.290 1.00 0.00 C +ATOM 76 CA SER A 76 248.125 254.566 264.942 1.00 0.00 C +ATOM 77 CA SER A 77 248.202 251.041 263.498 1.00 0.00 C +ATOM 78 CA ALA A 78 248.342 247.408 262.358 1.00 0.00 C +ATOM 79 CA SER A 79 247.771 244.111 264.181 1.00 0.00 C +ATOM 80 CA VAL A 80 251.189 242.900 265.350 1.00 0.00 C +ATOM 81 CA SER A 81 252.727 239.449 265.845 1.00 0.00 C +ATOM 82 CA VAL A 82 255.278 236.630 265.601 1.00 0.00 C +ATOM 83 CA SER A 83 253.668 234.120 263.230 1.00 0.00 C +ATOM 84 CA SER A 84 251.287 233.448 260.333 1.00 0.00 C +ATOM 85 CA SER A 85 248.242 235.602 259.556 1.00 0.00 C +ATOM 86 CA CYS A 86 245.046 236.174 257.563 1.00 0.00 C +ATOM 87 CA SER A 87 244.110 233.728 254.795 1.00 0.00 C +ATOM 88 CA SER A 88 243.225 230.118 253.958 1.00 0.00 C +ATOM 89 CA TRP A 89 241.631 229.341 250.586 1.00 0.00 C +ATOM 90 CA ALA A 90 237.965 228.342 250.303 1.00 0.00 C +ATOM 91 CA SER A 91 236.273 224.940 250.018 1.00 0.00 C +ATOM 92 CA SER A 92 235.463 223.556 253.475 1.00 0.00 C +ATOM 93 CA ALA A 93 236.853 223.261 257.010 1.00 0.00 C +ATOM 94 CA SER A 94 238.442 221.653 260.076 1.00 0.00 C +ATOM 95 CA SER A 95 239.626 221.177 263.666 1.00 0.00 C +ATOM 96 CA ILE A 96 239.873 217.831 265.470 1.00 0.00 C +ATOM 97 CA SER A 97 242.991 217.025 267.508 1.00 0.00 C +ATOM 98 CA SER A 98 246.337 217.201 269.321 1.00 0.00 C +ATOM 99 CA SER A 99 249.139 215.817 271.500 1.00 0.00 C +ATOM 100 CA SER A 100 251.028 213.168 273.483 1.00 0.00 C +ATOM 101 CA SER A 101 253.972 210.920 272.589 1.00 0.00 C +ATOM 102 CA THR A 102 256.195 212.376 269.859 1.00 0.00 C +ATOM 103 CA ALA A 103 257.630 215.546 271.409 1.00 0.00 C +ATOM 104 CA ALA A 104 254.962 218.053 272.465 1.00 0.00 C +ATOM 105 CA SER A 105 252.393 220.864 272.336 1.00 0.00 C +ATOM 106 CA PRO A 106 249.203 222.846 271.699 1.00 0.00 C +ATOM 107 CA ALA A 107 247.210 225.331 273.790 1.00 0.00 C +ATOM 108 CA ALA A 108 246.197 226.729 277.187 1.00 0.00 C +ATOM 109 CA SER A 109 242.787 228.427 277.240 1.00 0.00 C +ATOM 110 CA SER A 110 241.877 231.891 278.540 1.00 0.00 C +ATOM 111 CA ALA A 111 238.717 233.595 279.816 1.00 0.00 C +ATOM 112 CA ALA A 112 235.522 232.500 281.579 1.00 0.00 C +ATOM 113 CA ILE A 113 233.940 230.263 284.227 1.00 0.00 C +ATOM 114 CA SER A 114 233.273 226.519 283.990 1.00 0.00 C +ATOM 115 CA SER A 115 234.944 224.951 280.946 1.00 0.00 C +ATOM 116 CA ALA A 116 234.453 221.663 279.085 1.00 0.00 C +ATOM 117 CA THR A 117 237.053 219.249 277.698 1.00 0.00 C +ATOM 118 CA LEU A 118 240.727 220.030 278.337 1.00 0.00 C +ATOM 119 CA SER A 119 244.536 220.110 278.407 1.00 0.00 C +ATOM 120 CA ALA A 120 246.810 221.084 281.304 1.00 0.00 C +ATOM 121 CA SER A 121 247.083 222.372 284.879 1.00 0.00 C +ATOM 122 CA PRO A 122 243.978 222.130 287.075 1.00 0.00 C +ATOM 123 CA SER A 123 240.229 222.028 287.745 1.00 0.00 C +ATOM 124 CA LYS A 124 238.076 224.337 289.877 1.00 0.00 C +TER 125 LYS A 124 +END diff --git a/Bacteria/Q0BZJ1/Q0BZJ1.dcd b/Bacteria/Q0BZJ1/Q0BZJ1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c8203af0f6ab16468033f5ac0e857f59c3c22472 --- /dev/null +++ b/Bacteria/Q0BZJ1/Q0BZJ1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bbf5d56e1c5f9d7b5876f5cca8504347aa2bcd8beee742139e59478b5cb80962 +size 6080276 diff --git a/Bacteria/Q0BZJ1/top.pdb b/Bacteria/Q0BZJ1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..24ca27cfef4f84c8690fec8bfcfaa5bb19dcba74 --- /dev/null +++ b/Bacteria/Q0BZJ1/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 MET A 1 238.647 264.008 231.281 1.00 0.00 C +ATOM 2 CA SER A 2 241.587 263.995 233.703 1.00 0.00 C +ATOM 3 CA ASP A 3 240.906 265.346 237.200 1.00 0.00 C +ATOM 4 CA PRO A 4 242.437 268.240 239.148 1.00 0.00 C +ATOM 5 CA SER A 5 241.639 269.956 242.455 1.00 0.00 C +ATOM 6 CA CYS A 6 243.477 271.232 245.539 1.00 0.00 C +ATOM 7 CA PHE A 7 245.257 270.442 248.814 1.00 0.00 C +ATOM 8 CA SER A 8 244.917 271.151 252.542 1.00 0.00 C +ATOM 9 CA LEU A 9 244.105 268.013 254.545 1.00 0.00 C +ATOM 10 CA PRO A 10 242.319 267.746 257.900 1.00 0.00 C +ATOM 11 CA PRO A 11 242.461 265.004 260.542 1.00 0.00 C +ATOM 12 CA SER A 12 241.849 261.376 259.551 1.00 0.00 C +ATOM 13 CA ARG A 13 243.189 259.984 256.268 1.00 0.00 C +ATOM 14 CA THR A 14 245.677 257.193 255.537 1.00 0.00 C +ATOM 15 CA HIS A 15 248.887 255.421 254.500 1.00 0.00 C +ATOM 16 CA ALA A 16 251.839 254.770 256.818 1.00 0.00 C +ATOM 17 CA ALA A 17 251.851 257.003 259.905 1.00 0.00 C +ATOM 18 CA ILE A 18 248.464 257.824 261.446 1.00 0.00 C +ATOM 19 CA PRO A 19 244.993 256.262 261.616 1.00 0.00 C +ATOM 20 CA GLY A 20 245.036 252.789 260.048 1.00 0.00 C +ATOM 21 CA ASP A 21 245.422 249.104 259.163 1.00 0.00 C +ATOM 22 CA PRO A 22 244.106 246.205 257.070 1.00 0.00 C +ATOM 23 CA ARG A 23 246.103 243.118 258.069 1.00 0.00 C +ATOM 24 CA PHE A 24 248.440 243.645 261.031 1.00 0.00 C +ATOM 25 CA GLN A 25 252.160 243.195 260.343 1.00 0.00 C +ATOM 26 CA SER A 26 255.303 243.520 258.214 1.00 0.00 C +ATOM 27 CA GLY A 27 258.247 244.320 255.933 1.00 0.00 C +ATOM 28 CA ALA A 28 259.292 245.370 252.422 1.00 0.00 C +ATOM 29 CA GLY A 29 261.794 247.841 250.956 1.00 0.00 C +ATOM 30 CA ARG A 30 262.962 248.446 247.380 1.00 0.00 C +ATOM 31 CA ALA A 31 260.265 250.567 245.725 1.00 0.00 C +ATOM 32 CA PRO A 32 257.193 248.778 244.354 1.00 0.00 C +ATOM 33 CA GLY A 33 255.428 245.659 245.647 1.00 0.00 C +ATOM 34 CA GLY A 34 253.221 243.535 247.913 1.00 0.00 C +ATOM 35 CA ASN A 35 254.662 240.034 248.341 1.00 0.00 C +ATOM 36 CA ARG A 36 256.266 239.259 244.974 1.00 0.00 C +ATOM 37 CA ASP A 37 258.256 236.010 244.941 1.00 0.00 C +ATOM 38 CA THR A 38 259.375 232.369 244.885 1.00 0.00 C +ATOM 39 CA ALA A 39 256.925 229.645 245.930 1.00 0.00 C +ATOM 40 CA ARG A 40 253.854 227.389 245.960 1.00 0.00 C +ATOM 41 CA ILE A 41 252.903 225.137 243.038 1.00 0.00 C +ATOM 42 CA VAL A 42 253.983 224.362 239.467 1.00 0.00 C +ATOM 43 CA LEU A 43 252.645 223.044 236.153 1.00 0.00 C +ATOM 44 CA LYS A 44 251.657 221.692 232.730 1.00 0.00 C +TER 45 LYS A 44 +END diff --git a/Bacteria/Q0BZV0/Q0BZV0.dcd b/Bacteria/Q0BZV0/Q0BZV0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..dbb82b1ab77e4d1046061352f6d40e21618976a0 --- /dev/null +++ b/Bacteria/Q0BZV0/Q0BZV0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c2b9f8c250832ac3eaa4edd6c329d60d648f45838a30be0c39c0fdae13115e8d +size 5840276 diff --git a/Bacteria/Q0BZV0/top.pdb b/Bacteria/Q0BZV0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..535fe6b856eb8928f009e416ab436b7c821b76a0 --- /dev/null +++ b/Bacteria/Q0BZV0/top.pdb @@ -0,0 +1,46 @@ +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 1 218.990 282.313 246.090 1.00 0.00 C +ATOM 2 CA ALA A 2 221.473 279.511 245.385 1.00 0.00 C +ATOM 3 CA LYS A 3 225.217 279.460 246.094 1.00 0.00 C +ATOM 4 CA GLY A 4 228.459 278.421 247.803 1.00 0.00 C +ATOM 5 CA GLN A 5 231.186 276.321 249.438 1.00 0.00 C +ATOM 6 CA MET A 6 233.052 275.238 252.578 1.00 0.00 C +ATOM 7 CA LYS A 7 235.542 276.187 255.301 1.00 0.00 C +ATOM 8 CA SER A 8 237.890 277.010 258.187 1.00 0.00 C +ATOM 9 CA LYS A 9 240.476 275.457 260.515 1.00 0.00 C +ATOM 10 CA LYS A 10 241.799 272.373 258.712 1.00 0.00 C +ATOM 11 CA GLU A 11 243.473 269.311 257.183 1.00 0.00 C +ATOM 12 CA VAL A 12 245.318 266.703 255.107 1.00 0.00 C +ATOM 13 CA ARG A 13 245.263 263.082 253.922 1.00 0.00 C +ATOM 14 CA LYS A 14 247.822 261.385 251.666 1.00 0.00 C +ATOM 15 CA PRO A 15 247.374 257.611 251.923 1.00 0.00 C +ATOM 16 CA LYS A 16 247.784 254.365 249.970 1.00 0.00 C +ATOM 17 CA ALA A 17 249.337 251.211 251.438 1.00 0.00 C +ATOM 18 CA GLU A 18 246.662 248.638 252.296 1.00 0.00 C +ATOM 19 CA LYS A 19 248.179 245.277 251.338 1.00 0.00 C +ATOM 20 CA VAL A 20 250.129 242.038 251.814 1.00 0.00 C +ATOM 21 CA LYS A 21 248.760 238.838 253.364 1.00 0.00 C +ATOM 22 CA PRO A 22 250.952 236.793 255.715 1.00 0.00 C +ATOM 23 CA LYS A 23 249.410 233.312 255.872 1.00 0.00 C +ATOM 24 CA LEU A 24 251.940 230.594 255.020 1.00 0.00 C +ATOM 25 CA GLY A 25 254.610 228.065 254.025 1.00 0.00 C +ATOM 26 CA ALA A 26 256.842 228.833 251.035 1.00 0.00 C +ATOM 27 CA ALA A 27 259.472 231.584 251.202 1.00 0.00 C +ATOM 28 CA VAL A 28 262.820 232.881 249.926 1.00 0.00 C +ATOM 29 CA ALA A 29 265.476 231.309 247.693 1.00 0.00 C +ATOM 30 CA LYS A 30 268.791 232.089 249.402 1.00 0.00 C +ATOM 31 CA PRO A 31 270.612 235.403 249.868 1.00 0.00 C +ATOM 32 CA GLY A 32 272.900 237.571 247.728 1.00 0.00 C +ATOM 33 CA ASP A 33 273.128 236.778 244.008 1.00 0.00 C +ATOM 34 CA LEU A 34 269.551 237.127 242.745 1.00 0.00 C +ATOM 35 CA LYS A 35 267.098 239.872 241.760 1.00 0.00 C +ATOM 36 CA GLY A 36 263.830 239.126 239.949 1.00 0.00 C +ATOM 37 CA MET A 37 260.651 240.638 241.407 1.00 0.00 C +ATOM 38 CA GLU A 38 258.218 238.598 243.513 1.00 0.00 C +ATOM 39 CA HIS A 39 256.618 237.166 246.660 1.00 0.00 C +ATOM 40 CA LEU A 40 253.069 235.786 246.527 1.00 0.00 C +ATOM 41 CA LYS A 41 251.236 233.963 243.727 1.00 0.00 C +ATOM 42 CA ARG A 42 248.588 231.764 242.095 1.00 0.00 C +TER 43 ARG A 42 +END diff --git a/Bacteria/Q0C0W1/Q0C0W1.dcd b/Bacteria/Q0C0W1/Q0C0W1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..4e86b66146d8a4b15762bba7be9299813b82f880 --- /dev/null +++ b/Bacteria/Q0C0W1/Q0C0W1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:908eba5c1afd0ae80ee574ebaeb2308fb0350d3be0ed288dc2b31954ec4a433b +size 5120276 diff --git a/Bacteria/Q0C0W1/top.pdb b/Bacteria/Q0C0W1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..98c001d4009e1ad67745e8cee96fac7e7c13f466 --- /dev/null +++ b/Bacteria/Q0C0W1/top.pdb @@ -0,0 +1,40 @@ +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 1 245.587 255.780 234.687 1.00 0.00 C +ATOM 2 CA ARG A 2 243.290 256.347 237.673 1.00 0.00 C +ATOM 3 CA ALA A 3 240.092 257.260 239.532 1.00 0.00 C +ATOM 4 CA VAL A 4 236.703 258.895 238.932 1.00 0.00 C +ATOM 5 CA SER A 5 233.302 257.806 240.260 1.00 0.00 C +ATOM 6 CA ALA A 6 232.040 257.042 243.772 1.00 0.00 C +ATOM 7 CA THR A 7 229.445 254.879 245.533 1.00 0.00 C +ATOM 8 CA GLY A 8 229.431 254.948 249.343 1.00 0.00 C +ATOM 9 CA GLY A 9 229.566 258.397 250.957 1.00 0.00 C +ATOM 10 CA ALA A 10 231.219 261.822 251.180 1.00 0.00 C +ATOM 11 CA SER A 11 234.371 263.959 251.034 1.00 0.00 C +ATOM 12 CA TRP A 12 235.487 265.884 254.126 1.00 0.00 C +ATOM 13 CA ARG A 13 235.870 265.333 257.877 1.00 0.00 C +ATOM 14 CA GLN A 14 237.714 262.174 258.944 1.00 0.00 C +ATOM 15 CA SER A 15 241.426 263.031 259.026 1.00 0.00 C +ATOM 16 CA SER A 16 244.698 261.177 258.420 1.00 0.00 C +ATOM 17 CA CYS A 17 244.675 259.277 255.117 1.00 0.00 C +ATOM 18 CA GLY A 18 246.001 256.733 252.610 1.00 0.00 C +ATOM 19 CA GLN A 19 248.283 253.766 251.898 1.00 0.00 C +ATOM 20 CA THR A 20 251.883 254.987 252.147 1.00 0.00 C +ATOM 21 CA ARG A 21 254.203 254.771 255.162 1.00 0.00 C +ATOM 22 CA GLY A 22 256.715 251.967 255.744 1.00 0.00 C +ATOM 23 CA GLU A 23 256.802 248.167 255.469 1.00 0.00 C +ATOM 24 CA GLY A 24 257.260 244.415 254.996 1.00 0.00 C +ATOM 25 CA PRO A 25 255.628 241.558 253.075 1.00 0.00 C +ATOM 26 CA PRO A 26 257.461 238.366 254.060 1.00 0.00 C +ATOM 27 CA ASP A 27 259.579 236.099 251.849 1.00 0.00 C +ATOM 28 CA ARG A 28 258.384 234.475 248.616 1.00 0.00 C +ATOM 29 CA SER A 29 260.411 232.196 246.333 1.00 0.00 C +ATOM 30 CA ALA A 30 264.121 232.601 245.564 1.00 0.00 C +ATOM 31 CA ARG A 31 267.079 232.848 247.952 1.00 0.00 C +ATOM 32 CA ILE A 32 269.178 235.720 249.317 1.00 0.00 C +ATOM 33 CA PRO A 33 272.960 236.162 249.169 1.00 0.00 C +ATOM 34 CA GLY A 34 276.050 234.331 250.440 1.00 0.00 C +ATOM 35 CA SER A 35 279.669 233.707 249.425 1.00 0.00 C +ATOM 36 CA ARG A 36 283.418 233.118 249.760 1.00 0.00 C +TER 37 ARG A 36 +END diff --git a/Bacteria/Q0C2I4/Q0C2I4.dcd b/Bacteria/Q0C2I4/Q0C2I4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..4073fd615e06fbb8b219dcbca462a8a3f3e43ecb --- /dev/null +++ b/Bacteria/Q0C2I4/Q0C2I4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:80d06aba6792e71edc27cd159bb05f3d96a6ed8e510e79abba8980964ffde1e2 +size 6680276 diff --git a/Bacteria/Q0C2I4/top.pdb b/Bacteria/Q0C2I4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..82a4c32b744eb20dc9267bc0103f4b3f344e055d --- /dev/null +++ b/Bacteria/Q0C2I4/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 MET A 1 247.879 208.659 236.959 1.00 0.00 C +ATOM 2 CA PRO A 2 245.156 210.155 239.164 1.00 0.00 C +ATOM 3 CA LEU A 3 244.623 213.865 238.482 1.00 0.00 C +ATOM 4 CA ASN A 4 247.676 215.918 237.489 1.00 0.00 C +ATOM 5 CA MET A 5 249.464 216.666 234.209 1.00 0.00 C +ATOM 6 CA THR A 6 248.877 220.385 233.626 1.00 0.00 C +ATOM 7 CA ASP A 7 245.094 220.810 233.792 1.00 0.00 C +ATOM 8 CA ASN A 8 241.534 221.338 235.040 1.00 0.00 C +ATOM 9 CA GLN A 9 238.290 221.768 236.992 1.00 0.00 C +ATOM 10 CA LYS A 10 238.188 225.481 237.842 1.00 0.00 C +ATOM 11 CA LYS A 11 238.021 228.895 239.524 1.00 0.00 C +ATOM 12 CA THR A 12 235.739 231.834 240.344 1.00 0.00 C +ATOM 13 CA GLU A 13 237.719 233.914 242.848 1.00 0.00 C +ATOM 14 CA GLN A 14 238.288 236.625 245.463 1.00 0.00 C +ATOM 15 CA GLU A 15 240.133 239.957 245.381 1.00 0.00 C +ATOM 16 CA GLU A 16 243.578 241.027 246.609 1.00 0.00 C +ATOM 17 CA ARG A 17 243.793 244.770 245.929 1.00 0.00 C +ATOM 18 CA GLU A 18 241.846 248.044 246.017 1.00 0.00 C +ATOM 19 CA ALA A 19 243.104 251.407 247.290 1.00 0.00 C +ATOM 20 CA ARG A 20 242.925 253.409 250.527 1.00 0.00 C +ATOM 21 CA ARG A 21 244.359 256.884 251.145 1.00 0.00 C +ATOM 22 CA ALA A 22 247.498 258.831 252.081 1.00 0.00 C +ATOM 23 CA GLU A 23 248.012 262.316 250.631 1.00 0.00 C +ATOM 24 CA ALA A 24 248.821 262.513 246.913 1.00 0.00 C +ATOM 25 CA LEU A 25 246.094 260.866 244.823 1.00 0.00 C +ATOM 26 CA ARG A 26 245.549 262.070 241.250 1.00 0.00 C +ATOM 27 CA ALA A 27 248.500 263.338 239.201 1.00 0.00 C +ATOM 28 CA ASN A 28 250.908 266.015 237.957 1.00 0.00 C +ATOM 29 CA LEU A 29 254.398 264.895 238.997 1.00 0.00 C +ATOM 30 CA ARG A 30 256.523 263.960 242.018 1.00 0.00 C +ATOM 31 CA ARG A 31 257.437 265.995 245.107 1.00 0.00 C +ATOM 32 CA ARG A 32 254.848 267.087 247.680 1.00 0.00 C +ATOM 33 CA LYS A 33 255.771 265.895 251.179 1.00 0.00 C +ATOM 34 CA ALA A 34 255.432 264.901 254.842 1.00 0.00 C +ATOM 35 CA ALA A 35 257.712 266.905 257.145 1.00 0.00 C +ATOM 36 CA ALA A 36 256.081 267.714 260.492 1.00 0.00 C +ATOM 37 CA ARG A 37 256.815 267.353 264.214 1.00 0.00 C +ATOM 38 CA LYS A 38 256.800 269.881 267.064 1.00 0.00 C +ATOM 39 CA ASP A 39 257.369 271.727 270.348 1.00 0.00 C +ATOM 40 CA ALA A 40 260.980 272.811 270.900 1.00 0.00 C +ATOM 41 CA ALA A 41 263.611 270.066 271.140 1.00 0.00 C +ATOM 42 CA PRO A 42 264.107 266.416 272.115 1.00 0.00 C +ATOM 43 CA PRO A 43 263.936 262.616 272.326 1.00 0.00 C +ATOM 44 CA PRO A 44 264.257 261.288 268.770 1.00 0.00 C +ATOM 45 CA ASP A 45 261.376 259.027 267.720 1.00 0.00 C +ATOM 46 CA GLY A 46 258.725 258.717 265.001 1.00 0.00 C +ATOM 47 CA LYS A 47 257.327 259.791 261.623 1.00 0.00 C +ATOM 48 CA SER A 48 254.194 261.928 261.985 1.00 0.00 C +ATOM 49 CA GLY A 49 250.632 263.268 261.803 1.00 0.00 C +TER 50 GLY A 49 +END diff --git a/Bacteria/Q0C2I6/Q0C2I6.dcd b/Bacteria/Q0C2I6/Q0C2I6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..279b631f5947a38ad04d501380c9584082de747f --- /dev/null +++ b/Bacteria/Q0C2I6/Q0C2I6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4427fdeed6eeb2f7765019ae888c5993b5677a54bba8fcaa2637863d6554aede +size 9800276 diff --git a/Bacteria/Q0C2I6/top.pdb b/Bacteria/Q0C2I6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8c4ca44b03a232a6323f9f49f51238ea6987eb03 --- /dev/null +++ b/Bacteria/Q0C2I6/top.pdb @@ -0,0 +1,79 @@ +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 1 262.215 243.595 242.852 1.00 0.00 C +ATOM 2 CA SER A 2 261.462 247.196 243.841 1.00 0.00 C +ATOM 3 CA ASN A 3 259.047 250.078 244.458 1.00 0.00 C +ATOM 4 CA SER A 4 255.324 249.293 244.659 1.00 0.00 C +ATOM 5 CA LYS A 5 254.261 245.958 246.163 1.00 0.00 C +ATOM 6 CA LYS A 6 251.614 243.326 245.400 1.00 0.00 C +ATOM 7 CA PRO A 7 253.600 240.366 244.054 1.00 0.00 C +ATOM 8 CA ASP A 8 251.142 238.208 242.101 1.00 0.00 C +ATOM 9 CA LYS A 9 250.436 235.993 239.083 1.00 0.00 C +ATOM 10 CA GLU A 10 250.057 236.921 235.407 1.00 0.00 C +ATOM 11 CA GLU A 11 248.714 233.796 233.692 1.00 0.00 C +ATOM 12 CA THR A 12 246.995 232.243 230.667 1.00 0.00 C +ATOM 13 CA GLN A 13 248.473 230.601 227.563 1.00 0.00 C +ATOM 14 CA ALA A 14 250.071 229.152 224.423 1.00 0.00 C +ATOM 15 CA ASP A 15 249.643 225.822 222.623 1.00 0.00 C +ATOM 16 CA ILE A 16 246.801 223.742 224.076 1.00 0.00 C +ATOM 17 CA ALA A 17 243.408 222.173 224.813 1.00 0.00 C +ATOM 18 CA GLN A 18 242.108 223.051 228.285 1.00 0.00 C +ATOM 19 CA ARG A 19 243.877 224.254 231.437 1.00 0.00 C +ATOM 20 CA ALA A 20 246.075 226.793 233.238 1.00 0.00 C +ATOM 21 CA LEU A 21 244.316 229.098 235.710 1.00 0.00 C +ATOM 22 CA ASP A 22 240.564 228.863 235.088 1.00 0.00 C +ATOM 23 CA MET A 23 236.771 228.604 234.850 1.00 0.00 C +ATOM 24 CA LYS A 24 233.506 230.490 235.401 1.00 0.00 C +ATOM 25 CA THR A 25 232.498 233.784 237.028 1.00 0.00 C +ATOM 26 CA ARG A 26 231.430 232.793 240.549 1.00 0.00 C +ATOM 27 CA ALA A 27 232.105 232.345 244.272 1.00 0.00 C +ATOM 28 CA ALA A 28 235.171 234.335 245.347 1.00 0.00 C +ATOM 29 CA GLU A 29 236.045 233.603 248.982 1.00 0.00 C +ATOM 30 CA GLU A 30 233.544 235.335 251.276 1.00 0.00 C +ATOM 31 CA ASP A 31 232.119 238.240 253.288 1.00 0.00 C +ATOM 32 CA THR A 32 229.136 240.416 254.224 1.00 0.00 C +ATOM 33 CA SER A 33 228.199 244.043 253.526 1.00 0.00 C +ATOM 34 CA SER A 34 227.946 245.406 249.977 1.00 0.00 C +ATOM 35 CA ILE A 35 229.446 247.438 247.125 1.00 0.00 C +ATOM 36 CA PRO A 36 232.521 249.675 247.360 1.00 0.00 C +ATOM 37 CA GLU A 37 236.148 248.538 247.629 1.00 0.00 C +ATOM 38 CA SER A 38 236.455 246.737 250.973 1.00 0.00 C +ATOM 39 CA ARG A 39 240.031 245.736 251.824 1.00 0.00 C +ATOM 40 CA THR A 40 243.563 244.976 250.615 1.00 0.00 C +ATOM 41 CA ALA A 41 246.626 245.338 248.378 1.00 0.00 C +ATOM 42 CA GLY A 42 245.553 247.799 245.675 1.00 0.00 C +ATOM 43 CA GLU A 43 247.253 251.186 246.068 1.00 0.00 C +ATOM 44 CA GLY A 44 250.021 251.057 248.683 1.00 0.00 C +ATOM 45 CA GLN A 45 250.221 254.125 250.933 1.00 0.00 C +ATOM 46 CA ILE A 46 248.954 257.442 252.315 1.00 0.00 C +ATOM 47 CA GLN A 47 251.031 259.846 254.418 1.00 0.00 C +ATOM 48 CA GLU A 48 253.217 257.594 256.579 1.00 0.00 C +ATOM 49 CA ALA A 49 256.185 256.564 254.423 1.00 0.00 C +ATOM 50 CA ARG A 50 259.031 259.013 255.066 1.00 0.00 C +ATOM 51 CA ALA A 51 260.166 262.618 255.553 1.00 0.00 C +ATOM 52 CA GLY A 52 263.179 262.405 257.875 1.00 0.00 C +ATOM 53 CA GLU A 53 265.451 263.856 260.567 1.00 0.00 C +ATOM 54 CA PRO A 54 264.908 262.220 263.965 1.00 0.00 C +ATOM 55 CA PRO A 55 266.622 261.117 267.184 1.00 0.00 C +ATOM 56 CA MET A 56 265.076 261.380 270.656 1.00 0.00 C +ATOM 57 CA GLY A 57 267.078 264.102 272.418 1.00 0.00 C +ATOM 58 CA ALA A 58 268.236 267.189 274.326 1.00 0.00 C +ATOM 59 CA LEU A 59 270.565 270.184 274.675 1.00 0.00 C +ATOM 60 CA ASP A 60 273.673 272.352 274.278 1.00 0.00 C +ATOM 61 CA ALA A 61 273.807 275.964 273.071 1.00 0.00 C +ATOM 62 CA GLU A 62 270.446 277.520 273.965 1.00 0.00 C +ATOM 63 CA GLY A 63 267.317 276.042 272.370 1.00 0.00 C +ATOM 64 CA HIS A 64 263.795 277.496 272.363 1.00 0.00 C +ATOM 65 CA ARG A 65 260.141 278.513 272.002 1.00 0.00 C +ATOM 66 CA PRO A 66 257.621 279.252 269.241 1.00 0.00 C +ATOM 67 CA VAL A 67 257.847 277.285 265.986 1.00 0.00 C +ATOM 68 CA LEU A 68 257.161 274.998 263.017 1.00 0.00 C +ATOM 69 CA GLU A 69 253.776 273.613 261.952 1.00 0.00 C +ATOM 70 CA ARG A 70 253.051 271.346 258.976 1.00 0.00 C +ATOM 71 CA SER A 71 254.565 269.538 255.984 1.00 0.00 C +ATOM 72 CA ARG A 72 253.284 266.234 254.584 1.00 0.00 C +ATOM 73 CA LYS A 73 250.297 265.443 252.356 1.00 0.00 C +ATOM 74 CA VAL A 74 250.106 263.836 248.907 1.00 0.00 C +ATOM 75 CA ARG A 75 246.905 262.520 247.314 1.00 0.00 C +TER 76 ARG A 75 +END diff --git a/Bacteria/Q0C2M4/Q0C2M4.dcd b/Bacteria/Q0C2M4/Q0C2M4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..1ad45f8c50933d91572b2780a963b7f09869cce7 --- /dev/null +++ b/Bacteria/Q0C2M4/Q0C2M4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b5a1c4a48728a49d07ba9f6130b9ff84583ef5e270acb6ab7ed3b25ab9b50087 +size 10040276 diff --git a/Bacteria/Q0C2M4/top.pdb b/Bacteria/Q0C2M4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f4174a8ee79b5d5d286ee3761af7219188b6c277 --- /dev/null +++ b/Bacteria/Q0C2M4/top.pdb @@ -0,0 +1,81 @@ +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 1 251.836 244.923 199.661 1.00 0.00 C +ATOM 2 CA ALA A 2 253.598 241.602 200.283 1.00 0.00 C +ATOM 3 CA PRO A 3 253.502 238.866 202.933 1.00 0.00 C +ATOM 4 CA ALA A 4 255.301 239.579 206.215 1.00 0.00 C +ATOM 5 CA ALA A 5 255.021 239.460 210.013 1.00 0.00 C +ATOM 6 CA ALA A 6 258.055 240.521 212.058 1.00 0.00 C +ATOM 7 CA PRO A 7 258.288 241.877 215.612 1.00 0.00 C +ATOM 8 CA SER A 8 256.617 244.899 217.222 1.00 0.00 C +ATOM 9 CA VAL A 9 256.837 248.691 217.511 1.00 0.00 C +ATOM 10 CA LEU A 10 256.649 251.764 215.266 1.00 0.00 C +ATOM 11 CA GLN A 11 253.561 253.906 215.889 1.00 0.00 C +ATOM 12 CA SER A 12 252.896 257.152 214.009 1.00 0.00 C +ATOM 13 CA GLY A 13 253.881 259.898 216.459 1.00 0.00 C +ATOM 14 CA PRO A 14 253.452 261.148 220.033 1.00 0.00 C +ATOM 15 CA ALA A 15 256.470 261.255 222.355 1.00 0.00 C +ATOM 16 CA ALA A 16 255.092 262.636 225.628 1.00 0.00 C +ATOM 17 CA ARG A 17 253.481 262.162 229.048 1.00 0.00 C +ATOM 18 CA ALA A 18 253.739 262.388 232.843 1.00 0.00 C +ATOM 19 CA GLN A 19 254.815 260.780 236.125 1.00 0.00 C +ATOM 20 CA ARG A 20 251.806 260.867 238.461 1.00 0.00 C +ATOM 21 CA PRO A 21 248.328 260.036 237.149 1.00 0.00 C +ATOM 22 CA SER A 22 244.793 259.454 238.447 1.00 0.00 C +ATOM 23 CA PRO A 23 244.452 256.291 240.543 1.00 0.00 C +ATOM 24 CA LEU A 24 246.894 256.462 243.462 1.00 0.00 C +ATOM 25 CA PRO A 25 245.243 254.908 246.524 1.00 0.00 C +ATOM 26 CA ALA A 26 246.029 255.359 250.224 1.00 0.00 C +ATOM 27 CA ALA A 27 247.556 257.393 253.061 1.00 0.00 C +ATOM 28 CA PRO A 28 247.163 260.759 254.802 1.00 0.00 C +ATOM 29 CA ALA A 29 244.321 261.868 257.084 1.00 0.00 C +ATOM 30 CA VAL A 30 241.534 264.257 256.063 1.00 0.00 C +ATOM 31 CA ARG A 31 241.607 267.860 254.828 1.00 0.00 C +ATOM 32 CA PRO A 32 244.201 268.651 252.153 1.00 0.00 C +ATOM 33 CA ARG A 33 242.705 267.416 248.874 1.00 0.00 C +ATOM 34 CA ALA A 34 240.930 264.438 247.295 1.00 0.00 C +ATOM 35 CA ALA A 35 237.316 263.821 246.256 1.00 0.00 C +ATOM 36 CA PRO A 36 234.576 264.616 243.731 1.00 0.00 C +ATOM 37 CA SER A 37 231.807 262.225 242.665 1.00 0.00 C +ATOM 38 CA PRO A 38 228.639 260.196 242.064 1.00 0.00 C +ATOM 39 CA ARG A 39 226.379 260.858 245.060 1.00 0.00 C +ATOM 40 CA SER A 40 225.686 258.977 248.300 1.00 0.00 C +ATOM 41 CA PRO A 41 225.653 259.612 252.057 1.00 0.00 C +ATOM 42 CA PRO A 42 225.830 256.898 254.725 1.00 0.00 C +ATOM 43 CA ALA A 43 229.166 256.281 256.458 1.00 0.00 C +ATOM 44 CA PRO A 44 232.201 255.490 254.294 1.00 0.00 C +ATOM 45 CA ARG A 45 234.932 255.026 251.679 1.00 0.00 C +ATOM 46 CA SER A 46 237.725 257.618 251.738 1.00 0.00 C +ATOM 47 CA ALA A 47 240.095 257.700 254.720 1.00 0.00 C +ATOM 48 CA PRO A 48 241.963 256.185 257.675 1.00 0.00 C +ATOM 49 CA PRO A 49 243.606 253.013 258.999 1.00 0.00 C +ATOM 50 CA PRO A 50 246.347 251.907 261.404 1.00 0.00 C +ATOM 51 CA LEU A 51 245.588 252.014 265.137 1.00 0.00 C +ATOM 52 CA ARG A 52 247.077 254.485 267.624 1.00 0.00 C +ATOM 53 CA PRO A 53 249.095 253.877 270.798 1.00 0.00 C +ATOM 54 CA ARG A 54 248.588 254.262 274.554 1.00 0.00 C +ATOM 55 CA THR A 55 250.513 251.534 276.390 1.00 0.00 C +ATOM 56 CA SER A 56 252.400 249.283 273.964 1.00 0.00 C +ATOM 57 CA ARG A 57 250.516 246.122 272.974 1.00 0.00 C +ATOM 58 CA PRO A 58 250.937 243.375 275.580 1.00 0.00 C +ATOM 59 CA PRO A 59 254.124 241.727 276.863 1.00 0.00 C +ATOM 60 CA PRO A 60 254.180 240.622 280.509 1.00 0.00 C +ATOM 61 CA ALA A 61 252.738 237.264 281.584 1.00 0.00 C +ATOM 62 CA ALA A 62 251.567 235.146 278.642 1.00 0.00 C +ATOM 63 CA GLU A 63 251.449 231.354 278.300 1.00 0.00 C +ATOM 64 CA ARG A 64 254.610 229.264 277.904 1.00 0.00 C +ATOM 65 CA PRO A 65 257.529 227.395 279.486 1.00 0.00 C +ATOM 66 CA ALA A 66 259.431 225.887 276.549 1.00 0.00 C +ATOM 67 CA PRO A 67 263.212 225.694 276.981 1.00 0.00 C +ATOM 68 CA ALA A 68 266.885 225.921 275.996 1.00 0.00 C +ATOM 69 CA ARG A 69 267.876 228.614 273.491 1.00 0.00 C +ATOM 70 CA SER A 70 267.012 232.048 274.897 1.00 0.00 C +ATOM 71 CA ALA A 71 266.853 235.854 274.802 1.00 0.00 C +ATOM 72 CA PRO A 72 265.346 238.129 272.144 1.00 0.00 C +ATOM 73 CA SER A 73 266.330 237.320 268.553 1.00 0.00 C +ATOM 74 CA LEU A 74 269.730 236.220 267.232 1.00 0.00 C +ATOM 75 CA GLY A 75 271.736 233.416 268.854 1.00 0.00 C +ATOM 76 CA SER A 76 274.389 230.802 269.657 1.00 0.00 C +ATOM 77 CA SER A 77 277.713 232.423 270.576 1.00 0.00 C +TER 78 SER A 77 +END diff --git a/Bacteria/Q0C2M7/Q0C2M7.dcd b/Bacteria/Q0C2M7/Q0C2M7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..45bc82f33f63e6daba83415a627e5a3f4dc1fbba --- /dev/null +++ b/Bacteria/Q0C2M7/Q0C2M7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0ab9fc88b336d128100e5c0e68e0b4c1b32e8ebd3a53fde3c040db4ce351b737 +size 17240276 diff --git a/Bacteria/Q0C2M7/top.pdb b/Bacteria/Q0C2M7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5a0e60b8f2f51b0d1e965d49c611f5af607ec2f6 --- /dev/null +++ b/Bacteria/Q0C2M7/top.pdb @@ -0,0 +1,141 @@ +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 1 230.523 311.629 281.739 1.00 0.00 C +ATOM 2 CA ILE A 2 230.724 311.601 277.935 1.00 0.00 C +ATOM 3 CA SER A 3 229.803 310.962 274.293 1.00 0.00 C +ATOM 4 CA PHE A 4 228.928 308.816 271.269 1.00 0.00 C +ATOM 5 CA LEU A 5 230.438 305.327 271.513 1.00 0.00 C +ATOM 6 CA ARG A 6 231.585 301.721 271.063 1.00 0.00 C +ATOM 7 CA ALA A 7 232.367 298.093 270.204 1.00 0.00 C +ATOM 8 CA ALA A 8 230.743 294.919 271.548 1.00 0.00 C +ATOM 9 CA THR A 9 227.275 293.513 270.835 1.00 0.00 C +ATOM 10 CA GLU A 10 223.969 295.408 270.840 1.00 0.00 C +ATOM 11 CA THR A 11 220.613 293.922 269.817 1.00 0.00 C +ATOM 12 CA LEU A 12 219.919 291.895 266.667 1.00 0.00 C +ATOM 13 CA SER A 13 218.666 293.305 263.356 1.00 0.00 C +ATOM 14 CA PRO A 14 217.474 293.965 259.798 1.00 0.00 C +ATOM 15 CA PRO A 15 217.359 297.727 259.207 1.00 0.00 C +ATOM 16 CA PRO A 16 216.277 300.397 261.700 1.00 0.00 C +ATOM 17 CA CYS A 17 214.081 302.210 264.232 1.00 0.00 C +ATOM 18 CA ILE A 18 215.057 301.556 267.856 1.00 0.00 C +ATOM 19 CA SER A 19 212.845 299.240 269.920 1.00 0.00 C +ATOM 20 CA SER A 20 209.651 298.164 271.697 1.00 0.00 C +ATOM 21 CA ALA A 21 206.940 295.550 271.119 1.00 0.00 C +ATOM 22 CA PRO A 22 208.039 293.509 268.096 1.00 0.00 C +ATOM 23 CA ARG A 23 208.200 290.212 266.192 1.00 0.00 C +ATOM 24 CA ASN A 24 210.764 287.628 265.068 1.00 0.00 C +ATOM 25 CA THR A 25 213.766 289.149 263.281 1.00 0.00 C +ATOM 26 CA PRO A 26 217.006 287.145 263.318 1.00 0.00 C +ATOM 27 CA ARG A 27 217.933 284.091 265.398 1.00 0.00 C +ATOM 28 CA LYS A 28 215.365 281.300 265.762 1.00 0.00 C +ATOM 29 CA PRO A 29 211.560 281.140 265.869 1.00 0.00 C +ATOM 30 CA PRO A 30 207.913 280.500 264.972 1.00 0.00 C +ATOM 31 CA SER A 31 204.652 282.196 263.971 1.00 0.00 C +ATOM 32 CA PRO A 32 201.852 279.807 262.987 1.00 0.00 C +ATOM 33 CA PRO A 33 199.969 276.535 263.505 1.00 0.00 C +ATOM 34 CA ALA A 34 197.243 275.411 261.092 1.00 0.00 C +ATOM 35 CA PRO A 35 196.453 275.478 257.365 1.00 0.00 C +ATOM 36 CA PRO A 36 194.078 277.217 254.946 1.00 0.00 C +ATOM 37 CA ALA A 37 195.038 278.413 251.458 1.00 0.00 C +ATOM 38 CA PRO A 38 197.491 276.065 249.732 1.00 0.00 C +ATOM 39 CA TRP A 39 200.018 275.453 246.947 1.00 0.00 C +ATOM 40 CA VAL A 40 200.269 272.204 244.973 1.00 0.00 C +ATOM 41 CA ARG A 41 199.780 268.578 246.035 1.00 0.00 C +ATOM 42 CA SER A 42 199.542 267.217 249.585 1.00 0.00 C +ATOM 43 CA ARG A 43 200.796 264.452 251.887 1.00 0.00 C +ATOM 44 CA LEU A 44 204.018 263.183 253.476 1.00 0.00 C +ATOM 45 CA PRO A 45 204.663 262.109 257.075 1.00 0.00 C +ATOM 46 CA ILE A 46 205.725 258.523 257.805 1.00 0.00 C +ATOM 47 CA SER A 47 209.526 258.292 257.918 1.00 0.00 C +ATOM 48 CA THR A 48 212.418 256.523 256.178 1.00 0.00 C +ATOM 49 CA PRO A 49 212.622 254.987 252.698 1.00 0.00 C +ATOM 50 CA SER A 50 214.422 251.634 252.891 1.00 0.00 C +ATOM 51 CA PRO A 51 213.352 249.895 256.108 1.00 0.00 C +ATOM 52 CA SER A 52 213.739 246.152 255.508 1.00 0.00 C +ATOM 53 CA GLY A 53 217.114 244.409 255.214 1.00 0.00 C +ATOM 54 CA SER A 54 218.668 241.053 254.299 1.00 0.00 C +ATOM 55 CA ARG A 55 216.232 239.115 252.101 1.00 0.00 C +ATOM 56 CA PRO A 56 214.796 241.619 249.615 1.00 0.00 C +ATOM 57 CA ALA A 57 215.830 244.253 247.064 1.00 0.00 C +ATOM 58 CA LEU A 58 219.453 245.009 246.158 1.00 0.00 C +ATOM 59 CA SER A 59 222.415 244.018 243.977 1.00 0.00 C +ATOM 60 CA ALA A 60 226.152 244.741 244.144 1.00 0.00 C +ATOM 61 CA PRO A 61 228.267 242.746 241.682 1.00 0.00 C +ATOM 62 CA ARG A 62 230.902 240.254 242.850 1.00 0.00 C +ATOM 63 CA PRO A 63 232.159 237.237 240.892 1.00 0.00 C +ATOM 64 CA THR A 64 229.448 234.564 241.039 1.00 0.00 C +ATOM 65 CA ARG A 65 230.297 232.536 244.151 1.00 0.00 C +ATOM 66 CA LYS A 66 232.972 230.538 245.986 1.00 0.00 C +ATOM 67 CA CYS A 67 234.953 227.371 246.736 1.00 0.00 C +ATOM 68 CA PRO A 68 236.150 226.127 250.132 1.00 0.00 C +ATOM 69 CA PRO A 69 237.091 224.884 253.609 1.00 0.00 C +ATOM 70 CA ALA A 70 240.761 225.643 254.293 1.00 0.00 C +ATOM 71 CA GLU A 71 243.432 228.169 255.296 1.00 0.00 C +ATOM 72 CA GLN A 72 246.129 230.216 253.549 1.00 0.00 C +ATOM 73 CA VAL A 73 246.465 229.453 249.831 1.00 0.00 C +ATOM 74 CA LEU A 74 249.105 228.502 247.254 1.00 0.00 C +ATOM 75 CA LYS A 75 252.739 227.781 248.141 1.00 0.00 C +ATOM 76 CA GLU A 76 255.917 225.964 249.198 1.00 0.00 C +ATOM 77 CA ARG A 77 256.187 222.621 247.391 1.00 0.00 C +ATOM 78 CA SER A 78 259.218 220.371 246.877 1.00 0.00 C +ATOM 79 CA ALA A 79 261.555 219.773 249.826 1.00 0.00 C +ATOM 80 CA PRO A 80 260.530 217.787 252.912 1.00 0.00 C +ATOM 81 CA ALA A 81 263.013 214.909 253.189 1.00 0.00 C +ATOM 82 CA PRO A 82 266.719 215.187 254.029 1.00 0.00 C +ATOM 83 CA THR A 83 269.476 214.920 251.413 1.00 0.00 C +ATOM 84 CA ASN A 84 269.294 217.804 248.930 1.00 0.00 C +ATOM 85 CA PRO A 85 271.267 221.055 248.703 1.00 0.00 C +ATOM 86 CA ALA A 86 268.724 223.879 248.979 1.00 0.00 C +ATOM 87 CA TRP A 87 266.507 225.355 246.254 1.00 0.00 C +ATOM 88 CA PRO A 88 265.811 225.052 242.521 1.00 0.00 C +ATOM 89 CA THR A 89 266.803 222.141 240.273 1.00 0.00 C +ATOM 90 CA PRO A 90 269.511 221.811 237.613 1.00 0.00 C +ATOM 91 CA ALA A 91 272.205 220.943 235.062 1.00 0.00 C +ATOM 92 CA GLY A 92 275.814 220.170 236.007 1.00 0.00 C +ATOM 93 CA LYS A 93 276.594 218.313 239.241 1.00 0.00 C +ATOM 94 CA THR A 94 280.390 218.017 239.371 1.00 0.00 C +ATOM 95 CA SER A 95 282.304 215.083 237.874 1.00 0.00 C +ATOM 96 CA THR A 96 285.020 212.681 239.044 1.00 0.00 C +ATOM 97 CA ASP A 97 286.760 213.992 242.170 1.00 0.00 C +ATOM 98 CA PRO A 98 287.423 217.349 243.846 1.00 0.00 C +ATOM 99 CA PRO A 99 287.049 220.683 245.652 1.00 0.00 C +ATOM 100 CA PRO A 100 287.888 224.136 247.025 1.00 0.00 C +ATOM 101 CA PRO A 101 287.868 226.831 249.718 1.00 0.00 C +ATOM 102 CA ALA A 102 287.550 230.620 249.469 1.00 0.00 C +ATOM 103 CA THR A 103 285.039 231.276 246.679 1.00 0.00 C +ATOM 104 CA PRO A 104 281.629 230.683 245.087 1.00 0.00 C +ATOM 105 CA PRO A 105 278.629 233.031 245.135 1.00 0.00 C +ATOM 106 CA ALA A 106 275.901 234.792 243.142 1.00 0.00 C +ATOM 107 CA ALA A 107 274.037 233.373 240.137 1.00 0.00 C +ATOM 108 CA PRO A 108 275.407 234.678 236.830 1.00 0.00 C +ATOM 109 CA PRO A 109 279.185 235.169 236.911 1.00 0.00 C +ATOM 110 CA PRO A 110 281.314 235.783 233.812 1.00 0.00 C +ATOM 111 CA ALA A 111 284.255 238.041 234.689 1.00 0.00 C +ATOM 112 CA PRO A 112 285.278 241.680 234.216 1.00 0.00 C +ATOM 113 CA ARG A 113 284.645 244.576 231.823 1.00 0.00 C +ATOM 114 CA ASN A 114 286.850 246.479 229.367 1.00 0.00 C +ATOM 115 CA PRO A 115 289.330 244.987 226.888 1.00 0.00 C +ATOM 116 CA ALA A 116 291.692 241.999 226.956 1.00 0.00 C +ATOM 117 CA SER A 117 295.411 242.770 227.253 1.00 0.00 C +ATOM 118 CA SER A 118 299.041 242.159 228.237 1.00 0.00 C +ATOM 119 CA ALA A 119 301.453 239.279 228.871 1.00 0.00 C +ATOM 120 CA PRO A 120 304.825 238.328 227.373 1.00 0.00 C +ATOM 121 CA ARG A 121 307.250 235.395 227.187 1.00 0.00 C +ATOM 122 CA THR A 122 310.678 233.815 227.703 1.00 0.00 C +ATOM 123 CA PRO A 123 314.128 235.347 228.221 1.00 0.00 C +ATOM 124 CA PRO A 124 316.701 236.675 230.697 1.00 0.00 C +ATOM 125 CA PRO A 125 317.205 235.434 234.264 1.00 0.00 C +ATOM 126 CA ARG A 126 317.013 234.859 238.026 1.00 0.00 C +ATOM 127 CA PRO A 127 319.778 234.843 240.647 1.00 0.00 C +ATOM 128 CA ALA A 128 319.553 231.554 242.558 1.00 0.00 C +ATOM 129 CA ARG A 129 317.346 229.214 240.516 1.00 0.00 C +ATOM 130 CA ASN A 130 315.465 226.869 238.176 1.00 0.00 C +ATOM 131 CA ILE A 131 315.998 223.230 237.179 1.00 0.00 C +ATOM 132 CA ALA A 132 315.971 219.422 237.274 1.00 0.00 C +ATOM 133 CA GLY A 133 315.509 215.838 238.482 1.00 0.00 C +ATOM 134 CA PRO A 134 313.253 216.011 241.548 1.00 0.00 C +ATOM 135 CA THR A 135 312.361 214.685 245.007 1.00 0.00 C +ATOM 136 CA ALA A 136 312.379 216.621 248.288 1.00 0.00 C +ATOM 137 CA PRO A 137 313.119 218.502 251.518 1.00 0.00 C +TER 138 PRO A 137 +END diff --git a/Bacteria/Q0C4F1/Q0C4F1.dcd b/Bacteria/Q0C4F1/Q0C4F1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f2b1d0f784f76aea73bd18327acb9705beee91cb --- /dev/null +++ b/Bacteria/Q0C4F1/Q0C4F1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d57058ef670fda37c4edcaaf70eaa5b6ae5a1fe0ff9b3ecc347223759a5c3bca +size 9800276 diff --git a/Bacteria/Q0C4F1/top.pdb b/Bacteria/Q0C4F1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b9f8e623e38cad8cecb87e9f13bf6866e30adbc4 --- /dev/null +++ b/Bacteria/Q0C4F1/top.pdb @@ -0,0 +1,79 @@ +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 1 249.408 250.857 268.928 1.00 0.00 C +ATOM 2 CA ALA A 2 248.581 247.328 267.756 1.00 0.00 C +ATOM 3 CA VAL A 3 249.976 244.875 270.316 1.00 0.00 C +ATOM 4 CA ALA A 4 251.140 241.316 269.615 1.00 0.00 C +ATOM 5 CA LYS A 5 253.017 240.525 266.395 1.00 0.00 C +ATOM 6 CA LYS A 6 256.740 241.052 265.778 1.00 0.00 C +ATOM 7 CA PRO A 7 258.718 238.329 263.992 1.00 0.00 C +ATOM 8 CA ALA A 8 261.507 236.933 261.804 1.00 0.00 C +ATOM 9 CA ALA A 9 262.997 236.017 258.420 1.00 0.00 C +ATOM 10 CA LYS A 10 261.674 233.321 256.075 1.00 0.00 C +ATOM 11 CA ALA A 11 261.646 234.812 252.569 1.00 0.00 C +ATOM 12 CA ALA A 12 258.990 234.440 249.862 1.00 0.00 C +ATOM 13 CA THR A 13 256.085 235.568 247.671 1.00 0.00 C +ATOM 14 CA LYS A 14 256.572 238.796 245.707 1.00 0.00 C +ATOM 15 CA ALA A 15 258.831 241.864 245.692 1.00 0.00 C +ATOM 16 CA ALA A 16 261.628 244.215 244.613 1.00 0.00 C +ATOM 17 CA PRO A 17 264.810 243.549 242.625 1.00 0.00 C +ATOM 18 CA ALA A 18 267.606 245.986 241.757 1.00 0.00 C +ATOM 19 CA LYS A 19 267.738 249.358 243.525 1.00 0.00 C +ATOM 20 CA LYS A 20 266.278 252.699 244.632 1.00 0.00 C +ATOM 21 CA PRO A 21 264.727 255.730 242.922 1.00 0.00 C +ATOM 22 CA ALA A 22 265.174 258.983 244.854 1.00 0.00 C +ATOM 23 CA ALA A 23 266.445 258.452 248.406 1.00 0.00 C +ATOM 24 CA LYS A 24 270.255 258.468 248.391 1.00 0.00 C +ATOM 25 CA ALA A 25 273.231 256.090 248.335 1.00 0.00 C +ATOM 26 CA PRO A 26 276.000 253.853 249.695 1.00 0.00 C +ATOM 27 CA ALA A 27 276.467 250.493 247.962 1.00 0.00 C +ATOM 28 CA ALA A 28 274.422 247.300 248.337 1.00 0.00 C +ATOM 29 CA LYS A 29 273.824 244.643 251.001 1.00 0.00 C +ATOM 30 CA LYS A 30 270.237 243.385 251.267 1.00 0.00 C +ATOM 31 CA ALA A 31 266.636 243.781 250.089 1.00 0.00 C +ATOM 32 CA ALA A 32 264.921 245.925 252.731 1.00 0.00 C +ATOM 33 CA PRO A 33 263.641 249.409 251.870 1.00 0.00 C +ATOM 34 CA ALA A 34 260.605 250.729 249.983 1.00 0.00 C +ATOM 35 CA LYS A 35 257.092 249.852 248.799 1.00 0.00 C +ATOM 36 CA LYS A 36 254.389 252.498 249.260 1.00 0.00 C +ATOM 37 CA PRO A 37 250.730 253.479 248.856 1.00 0.00 C +ATOM 38 CA ALA A 38 248.415 256.422 248.152 1.00 0.00 C +ATOM 39 CA ALA A 39 247.241 259.096 250.600 1.00 0.00 C +ATOM 40 CA LYS A 40 244.536 260.867 252.615 1.00 0.00 C +ATOM 41 CA ALA A 41 243.823 259.638 256.150 1.00 0.00 C +ATOM 42 CA ALA A 42 241.170 259.327 258.867 1.00 0.00 C +ATOM 43 CA PRO A 43 238.964 261.518 261.069 1.00 0.00 C +ATOM 44 CA ALA A 44 239.285 262.245 264.795 1.00 0.00 C +ATOM 45 CA LYS A 45 238.354 261.759 268.457 1.00 0.00 C +ATOM 46 CA LYS A 46 237.695 258.039 268.951 1.00 0.00 C +ATOM 47 CA PRO A 47 237.504 254.889 266.816 1.00 0.00 C +ATOM 48 CA ALA A 48 234.905 252.344 265.683 1.00 0.00 C +ATOM 49 CA VAL A 49 233.460 251.587 262.240 1.00 0.00 C +ATOM 50 CA LYS A 50 234.307 253.571 259.100 1.00 0.00 C +ATOM 51 CA ALA A 51 236.580 255.241 256.538 1.00 0.00 C +ATOM 52 CA LYS A 52 239.253 252.664 255.686 1.00 0.00 C +ATOM 53 CA ALA A 53 240.838 250.902 252.703 1.00 0.00 C +ATOM 54 CA ALA A 54 242.567 249.399 249.658 1.00 0.00 C +ATOM 55 CA PRO A 55 239.811 248.217 247.307 1.00 0.00 C +ATOM 56 CA ALA A 56 236.452 246.877 246.108 1.00 0.00 C +ATOM 57 CA ALA A 57 233.720 248.480 248.225 1.00 0.00 C +ATOM 58 CA LYS A 58 232.453 251.965 247.349 1.00 0.00 C +ATOM 59 CA ALA A 59 230.678 253.866 244.565 1.00 0.00 C +ATOM 60 CA ALA A 60 233.319 254.414 241.875 1.00 0.00 C +ATOM 61 CA PRO A 61 236.855 253.001 242.009 1.00 0.00 C +ATOM 62 CA ALA A 62 240.517 252.021 242.387 1.00 0.00 C +ATOM 63 CA LYS A 63 244.149 252.669 241.434 1.00 0.00 C +ATOM 64 CA LYS A 64 245.641 255.635 239.566 1.00 0.00 C +ATOM 65 CA PRO A 65 247.266 256.343 236.194 1.00 0.00 C +ATOM 66 CA ALA A 66 245.784 254.960 232.968 1.00 0.00 C +ATOM 67 CA ALA A 67 243.021 257.148 231.520 1.00 0.00 C +ATOM 68 CA LYS A 68 239.695 255.455 232.285 1.00 0.00 C +ATOM 69 CA LYS A 69 237.153 253.003 230.856 1.00 0.00 C +ATOM 70 CA PRO A 70 233.896 253.335 232.805 1.00 0.00 C +ATOM 71 CA ALA A 71 233.609 251.533 236.149 1.00 0.00 C +ATOM 72 CA ALA A 72 232.712 247.890 236.816 1.00 0.00 C +ATOM 73 CA LYS A 73 228.970 247.426 236.275 1.00 0.00 C +ATOM 74 CA LYS A 74 226.018 246.558 234.027 1.00 0.00 C +ATOM 75 CA LYS A 75 226.642 244.789 230.711 1.00 0.00 C +TER 76 LYS A 75 +END diff --git a/Bacteria/Q0C4N8/Q0C4N8.dcd b/Bacteria/Q0C4N8/Q0C4N8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..bd47350d843d84ea1582a964bef37070a05858ed --- /dev/null +++ b/Bacteria/Q0C4N8/Q0C4N8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7f260768b7e4c80391e5ecbecfcd75ab3c1ce2c5f747c8d074ceffcbd48a4950 +size 6080276 diff --git a/Bacteria/Q0C4N8/top.pdb b/Bacteria/Q0C4N8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..bdbece0d155cd5278005f5bf0b0bd01d3e6f6459 --- /dev/null +++ b/Bacteria/Q0C4N8/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 MET A 1 283.356 250.871 277.086 1.00 0.00 C +ATOM 2 CA GLU A 2 284.009 254.583 277.645 1.00 0.00 C +ATOM 3 CA ARG A 3 283.009 258.242 278.008 1.00 0.00 C +ATOM 4 CA ARG A 4 281.828 260.626 275.281 1.00 0.00 C +ATOM 5 CA HIS A 5 279.730 262.978 273.140 1.00 0.00 C +ATOM 6 CA LYS A 6 277.189 264.154 270.557 1.00 0.00 C +ATOM 7 CA GLY A 7 275.496 262.380 267.640 1.00 0.00 C +ATOM 8 CA TRP A 8 271.834 263.427 267.746 1.00 0.00 C +ATOM 9 CA ARG A 9 269.792 262.967 264.563 1.00 0.00 C +ATOM 10 CA GLY A 10 268.106 261.225 261.623 1.00 0.00 C +ATOM 11 CA ALA A 11 269.570 261.193 258.106 1.00 0.00 C +ATOM 12 CA ASP A 12 268.467 259.749 254.757 1.00 0.00 C +ATOM 13 CA LEU A 13 266.205 257.830 252.366 1.00 0.00 C +ATOM 14 CA GLU A 14 262.857 257.788 250.549 1.00 0.00 C +ATOM 15 CA ARG A 15 260.092 260.007 249.153 1.00 0.00 C +ATOM 16 CA PRO A 16 256.516 261.185 249.739 1.00 0.00 C +ATOM 17 CA ALA A 17 252.757 261.461 249.185 1.00 0.00 C +ATOM 18 CA SER A 18 250.412 258.672 248.071 1.00 0.00 C +ATOM 19 CA SER A 19 249.294 255.035 248.269 1.00 0.00 C +ATOM 20 CA GLY A 20 246.075 253.968 250.006 1.00 0.00 C +ATOM 21 CA SER A 21 243.110 252.126 251.534 1.00 0.00 C +ATOM 22 CA VAL A 22 239.430 251.699 250.644 1.00 0.00 C +ATOM 23 CA LEU A 23 235.708 252.287 250.083 1.00 0.00 C +ATOM 24 CA VAL A 24 233.363 249.928 248.226 1.00 0.00 C +ATOM 25 CA LYS A 25 230.523 251.609 246.322 1.00 0.00 C +ATOM 26 CA GLU A 26 228.506 252.327 243.170 1.00 0.00 C +ATOM 27 CA HIS A 27 225.422 254.511 242.685 1.00 0.00 C +ATOM 28 CA LEU A 28 223.048 252.740 240.287 1.00 0.00 C +ATOM 29 CA SER A 29 223.881 250.242 237.534 1.00 0.00 C +ATOM 30 CA GLU A 30 227.310 250.147 235.875 1.00 0.00 C +ATOM 31 CA GLY A 31 229.409 247.275 234.510 1.00 0.00 C +ATOM 32 CA ALA A 32 233.155 247.969 234.482 1.00 0.00 C +ATOM 33 CA ALA A 33 234.894 245.342 236.624 1.00 0.00 C +ATOM 34 CA GLY A 34 235.796 242.788 239.304 1.00 0.00 C +ATOM 35 CA PRO A 35 235.195 239.092 240.003 1.00 0.00 C +ATOM 36 CA VAL A 36 232.166 237.043 238.932 1.00 0.00 C +ATOM 37 CA ARG A 37 232.228 233.526 240.397 1.00 0.00 C +ATOM 38 CA ALA A 38 234.583 231.357 242.463 1.00 0.00 C +ATOM 39 CA SER A 39 236.685 229.062 240.265 1.00 0.00 C +ATOM 40 CA SER A 40 239.254 226.969 238.386 1.00 0.00 C +ATOM 41 CA ALA A 41 242.191 227.937 236.159 1.00 0.00 C +ATOM 42 CA ARG A 42 245.853 227.075 236.758 1.00 0.00 C +ATOM 43 CA HIS A 43 248.973 229.019 235.755 1.00 0.00 C +ATOM 44 CA ALA A 44 252.723 229.587 236.112 1.00 0.00 C +TER 45 ALA A 44 +END diff --git a/Bacteria/Q0C4Q8/Q0C4Q8.dcd b/Bacteria/Q0C4Q8/Q0C4Q8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f860b5a494c98fe4ff23f63e01080ce63a06ba06 --- /dev/null +++ b/Bacteria/Q0C4Q8/Q0C4Q8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b46c495523273b0fe48a5107af6ded3ab8f5b6e646246d0da5fe297544d0306c +size 15320276 diff --git a/Bacteria/Q0C4Q8/top.pdb b/Bacteria/Q0C4Q8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1ef0a09d23bd940c11935bacb382490888d61b28 --- /dev/null +++ b/Bacteria/Q0C4Q8/top.pdb @@ -0,0 +1,125 @@ +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 1 271.986 197.905 283.037 1.00 0.00 C +ATOM 2 CA HIS A 2 273.764 199.716 280.196 1.00 0.00 C +ATOM 3 CA PRO A 3 273.890 199.859 276.390 1.00 0.00 C +ATOM 4 CA SER A 4 275.201 202.871 274.460 1.00 0.00 C +ATOM 5 CA PRO A 5 276.406 202.612 270.855 1.00 0.00 C +ATOM 6 CA LEU A 6 278.938 199.822 270.290 1.00 0.00 C +ATOM 7 CA ALA A 7 277.517 196.378 271.087 1.00 0.00 C +ATOM 8 CA SER A 8 277.733 193.040 269.262 1.00 0.00 C +ATOM 9 CA GLY A 9 277.876 192.845 265.459 1.00 0.00 C +ATOM 10 CA ARG A 10 274.499 191.948 263.940 1.00 0.00 C +ATOM 11 CA ALA A 11 271.881 191.879 266.707 1.00 0.00 C +ATOM 12 CA GLU A 12 269.197 194.484 267.435 1.00 0.00 C +ATOM 13 CA ARG A 13 268.684 197.922 268.995 1.00 0.00 C +ATOM 14 CA SER A 14 268.365 200.303 266.038 1.00 0.00 C +ATOM 15 CA ALA A 15 267.579 203.738 264.589 1.00 0.00 C +ATOM 16 CA PRO A 16 265.831 206.613 262.803 1.00 0.00 C +ATOM 17 CA ALA A 17 267.767 209.864 262.353 1.00 0.00 C +ATOM 18 CA PRO A 18 269.836 212.840 261.179 1.00 0.00 C +ATOM 19 CA GLY A 19 272.393 214.730 263.278 1.00 0.00 C +ATOM 20 CA ARG A 20 275.022 217.398 263.974 1.00 0.00 C +ATOM 21 CA ALA A 21 276.869 220.576 262.971 1.00 0.00 C +ATOM 22 CA CYS A 22 279.039 223.679 262.554 1.00 0.00 C +ATOM 23 CA LEU A 23 280.430 226.927 263.981 1.00 0.00 C +ATOM 24 CA GLN A 24 278.930 230.297 263.029 1.00 0.00 C +ATOM 25 CA SER A 25 275.529 230.620 264.715 1.00 0.00 C +ATOM 26 CA PRO A 26 273.080 230.624 267.633 1.00 0.00 C +ATOM 27 CA PRO A 27 273.260 228.399 270.721 1.00 0.00 C +ATOM 28 CA ARG A 28 269.794 226.996 271.450 1.00 0.00 C +ATOM 29 CA PHE A 29 267.484 227.839 268.540 1.00 0.00 C +ATOM 30 CA ARG A 30 265.040 229.742 266.322 1.00 0.00 C +ATOM 31 CA GLN A 31 261.756 231.540 265.616 1.00 0.00 C +ATOM 32 CA GLY A 32 260.312 234.611 267.347 1.00 0.00 C +ATOM 33 CA CYS A 33 257.252 235.565 269.407 1.00 0.00 C +ATOM 34 CA ALA A 34 253.469 235.481 268.966 1.00 0.00 C +ATOM 35 CA ALA A 35 250.395 234.574 266.904 1.00 0.00 C +ATOM 36 CA GLN A 36 249.816 231.533 264.684 1.00 0.00 C +ATOM 37 CA THR A 37 251.288 230.833 261.240 1.00 0.00 C +ATOM 38 CA PRO A 38 251.448 233.751 258.796 1.00 0.00 C +ATOM 39 CA PRO A 39 254.397 235.828 260.024 1.00 0.00 C +ATOM 40 CA ALA A 40 256.185 237.031 263.165 1.00 0.00 C +ATOM 41 CA LEU A 41 256.008 240.159 265.333 1.00 0.00 C +ATOM 42 CA PRO A 42 253.913 243.341 265.364 1.00 0.00 C +ATOM 43 CA ARG A 43 256.240 246.127 266.519 1.00 0.00 C +ATOM 44 CA PRO A 44 259.658 246.227 264.838 1.00 0.00 C +ATOM 45 CA PRO A 45 261.410 245.789 261.483 1.00 0.00 C +ATOM 46 CA SER A 46 258.723 245.561 258.791 1.00 0.00 C +ATOM 47 CA ALA A 47 256.758 245.807 255.537 1.00 0.00 C +ATOM 48 CA HIS A 48 257.136 247.154 251.993 1.00 0.00 C +ATOM 49 CA LYS A 49 259.203 249.901 250.352 1.00 0.00 C +ATOM 50 CA ALA A 50 257.876 252.069 247.514 1.00 0.00 C +ATOM 51 CA PRO A 51 255.227 251.640 244.809 1.00 0.00 C +ATOM 52 CA PRO A 52 255.777 252.240 241.087 1.00 0.00 C +ATOM 53 CA SER A 53 255.881 252.849 237.327 1.00 0.00 C +ATOM 54 CA PRO A 54 254.769 253.904 233.839 1.00 0.00 C +ATOM 55 CA PRO A 55 252.328 253.782 230.917 1.00 0.00 C +ATOM 56 CA ALA A 56 254.129 254.348 227.608 1.00 0.00 C +ATOM 57 CA PRO A 57 254.668 257.792 226.071 1.00 0.00 C +ATOM 58 CA GLY A 58 256.886 260.531 224.623 1.00 0.00 C +ATOM 59 CA THR A 59 255.477 264.062 224.868 1.00 0.00 C +ATOM 60 CA ALA A 60 256.351 266.712 222.273 1.00 0.00 C +ATOM 61 CA ARG A 61 253.685 266.384 219.571 1.00 0.00 C +ATOM 62 CA ALA A 62 251.460 263.317 219.967 1.00 0.00 C +ATOM 63 CA SER A 63 249.734 261.749 216.953 1.00 0.00 C +ATOM 64 CA ALA A 64 250.163 258.088 215.988 1.00 0.00 C +ATOM 65 CA ALA A 65 250.844 256.030 219.121 1.00 0.00 C +ATOM 66 CA PRO A 66 249.539 254.397 222.307 1.00 0.00 C +ATOM 67 CA GLY A 67 246.628 253.628 224.641 1.00 0.00 C +ATOM 68 CA SER A 68 247.411 250.766 227.030 1.00 0.00 C +ATOM 69 CA ALA A 69 247.347 247.789 229.408 1.00 0.00 C +ATOM 70 CA PRO A 70 245.388 244.866 230.869 1.00 0.00 C +ATOM 71 CA ALA A 71 241.594 244.791 230.529 1.00 0.00 C +ATOM 72 CA PHE A 72 238.120 246.297 230.952 1.00 0.00 C +ATOM 73 CA GLN A 73 237.763 249.673 232.682 1.00 0.00 C +ATOM 74 CA GLU A 74 238.169 251.646 235.916 1.00 0.00 C +ATOM 75 CA TRP A 75 237.628 255.400 235.550 1.00 0.00 C +ATOM 76 CA HIS A 76 235.147 258.000 236.815 1.00 0.00 C +ATOM 77 CA ARG A 77 233.173 261.097 237.828 1.00 0.00 C +ATOM 78 CA PRO A 78 233.127 264.907 237.855 1.00 0.00 C +ATOM 79 CA PRO A 79 234.265 267.542 235.350 1.00 0.00 C +ATOM 80 CA SER A 80 235.850 270.455 233.474 1.00 0.00 C +ATOM 81 CA ASP A 81 237.461 273.881 233.049 1.00 0.00 C +ATOM 82 CA ARG A 82 235.218 276.466 234.723 1.00 0.00 C +ATOM 83 CA PRO A 83 234.949 279.755 232.819 1.00 0.00 C +ATOM 84 CA CYS A 84 233.467 282.198 235.339 1.00 0.00 C +ATOM 85 CA PRO A 85 231.694 283.437 238.475 1.00 0.00 C +ATOM 86 CA SER A 86 229.169 286.095 237.436 1.00 0.00 C +ATOM 87 CA PRO A 87 229.613 288.659 234.653 1.00 0.00 C +ATOM 88 CA ARG A 88 232.567 291.024 235.098 1.00 0.00 C +ATOM 89 CA HIS A 89 234.718 291.132 238.241 1.00 0.00 C +ATOM 90 CA ALA A 90 234.969 290.213 241.930 1.00 0.00 C +ATOM 91 CA PRO A 91 236.397 286.695 242.253 1.00 0.00 C +ATOM 92 CA VAL A 92 235.524 283.259 243.647 1.00 0.00 C +ATOM 93 CA PRO A 93 231.822 282.960 244.498 1.00 0.00 C +ATOM 94 CA PRO A 94 228.545 281.159 243.770 1.00 0.00 C +ATOM 95 CA SER A 95 227.805 277.683 242.396 1.00 0.00 C +ATOM 96 CA ARG A 96 230.703 275.328 243.153 1.00 0.00 C +ATOM 97 CA PRO A 97 232.862 273.167 245.430 1.00 0.00 C +ATOM 98 CA HIS A 98 234.238 272.950 248.976 1.00 0.00 C +ATOM 99 CA ALA A 99 237.693 273.038 250.581 1.00 0.00 C +ATOM 100 CA ALA A 100 241.434 272.343 250.386 1.00 0.00 C +ATOM 101 CA PRO A 101 241.837 269.956 247.444 1.00 0.00 C +ATOM 102 CA ALA A 102 245.047 267.903 247.470 1.00 0.00 C +ATOM 103 CA ALA A 103 247.531 267.210 250.275 1.00 0.00 C +ATOM 104 CA SER A 104 245.943 267.093 253.736 1.00 0.00 C +ATOM 105 CA SER A 105 243.931 269.507 255.890 1.00 0.00 C +ATOM 106 CA SER A 106 240.730 269.831 257.931 1.00 0.00 C +ATOM 107 CA ARG A 107 238.080 272.235 256.623 1.00 0.00 C +ATOM 108 CA GLN A 108 234.460 271.311 257.370 1.00 0.00 C +ATOM 109 CA THR A 109 230.783 271.699 258.291 1.00 0.00 C +ATOM 110 CA MET A 110 229.295 275.205 258.376 1.00 0.00 C +ATOM 111 CA GLY A 111 229.482 278.529 256.522 1.00 0.00 C +ATOM 112 CA PRO A 112 229.898 281.138 253.777 1.00 0.00 C +ATOM 113 CA GLY A 113 227.216 283.759 253.107 1.00 0.00 C +ATOM 114 CA LYS A 114 223.962 282.005 252.184 1.00 0.00 C +ATOM 115 CA ASP A 115 220.827 280.489 250.636 1.00 0.00 C +ATOM 116 CA ALA A 116 219.928 280.747 246.943 1.00 0.00 C +ATOM 117 CA HIS A 117 222.554 281.677 244.343 1.00 0.00 C +ATOM 118 CA ARG A 118 223.553 285.255 245.187 1.00 0.00 C +ATOM 119 CA ALA A 119 222.568 288.924 244.892 1.00 0.00 C +ATOM 120 CA ALA A 120 219.701 291.370 244.331 1.00 0.00 C +ATOM 121 CA ARG A 121 216.231 292.688 243.475 1.00 0.00 C +TER 122 ARG A 121 +END diff --git a/Bacteria/Q0C4R3/Q0C4R3.dcd b/Bacteria/Q0C4R3/Q0C4R3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..81c1a8fa6a62bbc98527b6aaf756e31cc0e9729f --- /dev/null +++ b/Bacteria/Q0C4R3/Q0C4R3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7b8f56dcc16a65418f52a867068fc9d03d1b37978208f74e1d17392a2b701837 +size 8000276 diff --git a/Bacteria/Q0C4R3/top.pdb b/Bacteria/Q0C4R3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8a4e86c7bab7419d716b2274bd3251f6ef6f7d0d --- /dev/null +++ b/Bacteria/Q0C4R3/top.pdb @@ -0,0 +1,64 @@ +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 1 240.372 249.934 222.929 1.00 0.00 C +ATOM 2 CA LYS A 2 236.815 249.309 224.143 1.00 0.00 C +ATOM 3 CA ALA A 3 233.623 250.946 225.426 1.00 0.00 C +ATOM 4 CA GLN A 4 230.853 252.096 223.076 1.00 0.00 C +ATOM 5 CA SER A 5 230.033 252.240 219.358 1.00 0.00 C +ATOM 6 CA GLU A 6 229.800 249.712 216.518 1.00 0.00 C +ATOM 7 CA ALA A 7 227.908 246.602 217.642 1.00 0.00 C +ATOM 8 CA GLN A 8 225.375 243.844 216.936 1.00 0.00 C +ATOM 9 CA GLN A 9 225.565 240.736 219.132 1.00 0.00 C +ATOM 10 CA LYS A 10 229.210 239.739 219.614 1.00 0.00 C +ATOM 11 CA ALA A 11 229.808 236.681 221.806 1.00 0.00 C +ATOM 12 CA ALA A 12 230.701 236.333 225.494 1.00 0.00 C +ATOM 13 CA GLY A 13 232.951 236.712 228.546 1.00 0.00 C +ATOM 14 CA ALA A 14 233.299 239.994 230.449 1.00 0.00 C +ATOM 15 CA ALA A 15 235.232 242.587 232.462 1.00 0.00 C +ATOM 16 CA LEU A 16 233.535 243.979 235.577 1.00 0.00 C +ATOM 17 CA SER A 17 232.851 247.718 235.329 1.00 0.00 C +ATOM 18 CA ALA A 18 233.700 250.255 232.617 1.00 0.00 C +ATOM 19 CA LYS A 19 237.367 249.982 231.617 1.00 0.00 C +ATOM 20 CA ARG A 20 240.161 247.392 231.628 1.00 0.00 C +ATOM 21 CA GLY A 21 242.182 246.499 234.732 1.00 0.00 C +ATOM 22 CA ASP A 22 240.050 243.977 236.631 1.00 0.00 C +ATOM 23 CA THR A 23 240.449 241.679 239.644 1.00 0.00 C +ATOM 24 CA PRO A 24 241.184 238.755 241.973 1.00 0.00 C +ATOM 25 CA LYS A 25 241.764 238.026 245.667 1.00 0.00 C +ATOM 26 CA SER A 26 242.577 235.753 248.615 1.00 0.00 C +ATOM 27 CA LYS A 27 246.004 234.137 248.214 1.00 0.00 C +ATOM 28 CA LEU A 28 247.339 232.240 251.236 1.00 0.00 C +ATOM 29 CA LYS A 29 248.385 231.612 254.845 1.00 0.00 C +ATOM 30 CA GLY A 30 249.013 234.957 256.558 1.00 0.00 C +ATOM 31 CA ALA A 31 249.896 236.392 259.975 1.00 0.00 C +ATOM 32 CA SER A 32 250.658 240.123 260.103 1.00 0.00 C +ATOM 33 CA VAL A 33 251.145 243.874 260.557 1.00 0.00 C +ATOM 34 CA GLU A 34 250.200 247.160 258.877 1.00 0.00 C +ATOM 35 CA MET A 35 251.110 250.340 260.768 1.00 0.00 C +ATOM 36 CA TYR A 36 253.021 250.904 264.015 1.00 0.00 C +ATOM 37 CA GLU A 37 251.400 248.719 266.682 1.00 0.00 C +ATOM 38 CA SER A 38 253.129 245.341 266.340 1.00 0.00 C +ATOM 39 CA MET A 39 256.847 245.347 267.173 1.00 0.00 C +ATOM 40 CA SER A 40 259.093 247.256 264.758 1.00 0.00 C +ATOM 41 CA GLU A 41 262.212 248.766 263.175 1.00 0.00 C +ATOM 42 CA LYS A 42 263.355 252.371 263.638 1.00 0.00 C +ATOM 43 CA GLU A 43 262.134 255.971 263.383 1.00 0.00 C +ATOM 44 CA LEU A 44 262.892 259.671 262.880 1.00 0.00 C +ATOM 45 CA GLU A 45 266.665 260.149 263.117 1.00 0.00 C +ATOM 46 CA GLU A 46 269.795 261.952 261.905 1.00 0.00 C +ATOM 47 CA MET A 47 272.003 264.278 263.962 1.00 0.00 C +ATOM 48 CA ALA A 48 273.597 262.044 266.605 1.00 0.00 C +ATOM 49 CA SER A 49 275.163 262.700 270.015 1.00 0.00 C +ATOM 50 CA THR A 50 274.403 262.455 273.741 1.00 0.00 C +ATOM 51 CA LYS A 51 274.167 263.211 277.468 1.00 0.00 C +ATOM 52 CA HIS A 52 273.794 266.595 279.178 1.00 0.00 C +ATOM 53 CA ASP A 53 273.681 270.311 278.348 1.00 0.00 C +ATOM 54 CA LYS A 54 275.156 271.572 275.069 1.00 0.00 C +ATOM 55 CA ILE A 55 272.818 271.507 272.061 1.00 0.00 C +ATOM 56 CA PRO A 56 270.212 269.245 270.446 1.00 0.00 C +ATOM 57 CA GLU A 57 268.250 267.158 272.958 1.00 0.00 C +ATOM 58 CA ARG A 58 264.676 266.584 274.146 1.00 0.00 C +ATOM 59 CA LYS A 59 264.833 263.347 276.151 1.00 0.00 C +ATOM 60 CA GLY A 60 265.591 260.233 274.092 1.00 0.00 C +TER 61 GLY A 60 +END diff --git a/Bacteria/Q0C4Z6/Q0C4Z6.dcd b/Bacteria/Q0C4Z6/Q0C4Z6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..1c4e4b992dc33809ae16e70ccfeafd3fbb170428 --- /dev/null +++ b/Bacteria/Q0C4Z6/Q0C4Z6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d4e0971baf942020709edcad23f3e0a27ae9e92e4911c4140e84bdfa0d32dc4b +size 6800276 diff --git a/Bacteria/Q0C4Z6/top.pdb b/Bacteria/Q0C4Z6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..23f3276a1a6389838810b80525276f297ec63a3f --- /dev/null +++ b/Bacteria/Q0C4Z6/top.pdb @@ -0,0 +1,54 @@ +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 1 258.817 218.579 246.774 1.00 0.00 C +ATOM 2 CA GLN A 2 257.521 222.093 247.474 1.00 0.00 C +ATOM 3 CA LYS A 3 257.382 225.474 245.724 1.00 0.00 C +ATOM 4 CA ASP A 4 253.852 226.751 246.378 1.00 0.00 C +ATOM 5 CA ALA A 5 252.534 227.640 242.915 1.00 0.00 C +ATOM 6 CA PRO A 6 250.300 227.384 239.840 1.00 0.00 C +ATOM 7 CA MET A 7 249.047 229.708 237.093 1.00 0.00 C +ATOM 8 CA PRO A 8 247.684 232.804 238.846 1.00 0.00 C +ATOM 9 CA ARG A 9 247.230 235.646 241.342 1.00 0.00 C +ATOM 10 CA GLN A 10 243.973 237.585 240.959 1.00 0.00 C +ATOM 11 CA LYS A 11 240.916 238.558 243.013 1.00 0.00 C +ATOM 12 CA ASN A 12 238.942 240.933 245.245 1.00 0.00 C +ATOM 13 CA SER A 13 240.881 241.666 248.442 1.00 0.00 C +ATOM 14 CA PRO A 14 244.395 240.196 248.559 1.00 0.00 C +ATOM 15 CA ALA A 15 246.093 236.953 249.614 1.00 0.00 C +ATOM 16 CA GLY A 16 248.554 235.475 252.119 1.00 0.00 C +ATOM 17 CA GLU A 17 248.140 234.013 255.613 1.00 0.00 C +ATOM 18 CA VAL A 18 246.140 231.463 257.616 1.00 0.00 C +ATOM 19 CA LYS A 19 245.647 232.143 261.332 1.00 0.00 C +ATOM 20 CA ARG A 20 248.048 234.747 262.734 1.00 0.00 C +ATOM 21 CA LYS A 21 249.536 235.392 266.182 1.00 0.00 C +ATOM 22 CA TYR A 22 252.601 237.645 266.390 1.00 0.00 C +ATOM 23 CA ALA A 23 254.177 241.059 267.005 1.00 0.00 C +ATOM 24 CA ALA A 24 252.249 244.087 268.283 1.00 0.00 C +ATOM 25 CA PRO A 25 249.799 246.476 269.957 1.00 0.00 C +ATOM 26 CA SER A 26 248.574 250.081 269.806 1.00 0.00 C +ATOM 27 CA PRO A 27 248.605 251.279 266.189 1.00 0.00 C +ATOM 28 CA PRO A 28 248.375 251.507 262.393 1.00 0.00 C +ATOM 29 CA ARG A 29 249.126 248.384 260.345 1.00 0.00 C +ATOM 30 CA MET A 30 249.185 248.937 256.576 1.00 0.00 C +ATOM 31 CA ILE A 31 250.647 252.052 254.939 1.00 0.00 C +ATOM 32 CA LEU A 32 249.138 255.427 255.863 1.00 0.00 C +ATOM 33 CA SER A 33 247.203 258.394 254.461 1.00 0.00 C +ATOM 34 CA ALA A 34 244.267 260.105 256.185 1.00 0.00 C +ATOM 35 CA GLN A 35 244.157 263.847 255.479 1.00 0.00 C +ATOM 36 CA ALA A 36 244.597 266.236 252.543 1.00 0.00 C +ATOM 37 CA GLY A 37 242.385 267.068 249.555 1.00 0.00 C +ATOM 38 CA ASP A 38 244.771 267.782 246.672 1.00 0.00 C +ATOM 39 CA ARG A 39 244.900 270.908 244.498 1.00 0.00 C +ATOM 40 CA ARG A 40 244.618 270.855 240.699 1.00 0.00 C +ATOM 41 CA VAL A 41 246.291 273.271 238.274 1.00 0.00 C +ATOM 42 CA LYS A 42 249.933 273.491 237.180 1.00 0.00 C +ATOM 43 CA SER A 43 253.130 271.478 236.679 1.00 0.00 C +ATOM 44 CA ALA A 44 256.390 273.183 235.690 1.00 0.00 C +ATOM 45 CA LEU A 45 256.708 276.401 237.706 1.00 0.00 C +ATOM 46 CA SER A 46 258.121 278.113 240.802 1.00 0.00 C +ATOM 47 CA PRO A 47 261.152 276.506 242.460 1.00 0.00 C +ATOM 48 CA ALA A 48 264.221 278.320 241.116 1.00 0.00 C +ATOM 49 CA LYS A 49 265.706 280.875 238.712 1.00 0.00 C +ATOM 50 CA LEU A 50 263.341 281.028 235.729 1.00 0.00 C +TER 51 LEU A 50 +END diff --git a/Bacteria/Q0C551/Q0C551.dcd b/Bacteria/Q0C551/Q0C551.dcd new file mode 100644 index 0000000000000000000000000000000000000000..93389f4ff54f83e6af8feb9d71af671a1fbb196d --- /dev/null +++ b/Bacteria/Q0C551/Q0C551.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cd816b322a45ba508052b02377d7a2f6b7c48a8a6864d6631080612b27c7018b +size 6080276 diff --git a/Bacteria/Q0C551/top.pdb b/Bacteria/Q0C551/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c018d6558790f9860d4359f9fc83629f3bf7d2a6 --- /dev/null +++ b/Bacteria/Q0C551/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 MET A 1 265.449 271.774 234.276 1.00 0.00 C +ATOM 2 CA LYS A 2 263.122 271.026 231.353 1.00 0.00 C +ATOM 3 CA ARG A 3 259.969 268.909 231.652 1.00 0.00 C +ATOM 4 CA THR A 4 259.695 265.666 229.672 1.00 0.00 C +ATOM 5 CA PHE A 5 260.836 262.053 229.272 1.00 0.00 C +ATOM 6 CA GLN A 6 259.448 258.597 230.078 1.00 0.00 C +ATOM 7 CA PRO A 7 255.653 258.899 229.931 1.00 0.00 C +ATOM 8 CA SER A 8 252.679 256.791 228.824 1.00 0.00 C +ATOM 9 CA ASN A 9 249.617 255.280 227.134 1.00 0.00 C +ATOM 10 CA LEU A 10 246.770 254.031 229.335 1.00 0.00 C +ATOM 11 CA ARG A 11 247.183 250.681 231.102 1.00 0.00 C +ATOM 12 CA ARG A 12 244.601 248.054 232.076 1.00 0.00 C +ATOM 13 CA ALA A 13 244.101 244.277 232.023 1.00 0.00 C +ATOM 14 CA ARG A 14 245.158 240.753 231.032 1.00 0.00 C +ATOM 15 CA THR A 15 245.412 237.350 232.726 1.00 0.00 C +ATOM 16 CA HIS A 16 248.425 235.103 232.101 1.00 0.00 C +ATOM 17 CA GLY A 17 250.960 235.396 234.930 1.00 0.00 C +ATOM 18 CA PHE A 18 249.666 236.203 238.421 1.00 0.00 C +ATOM 19 CA ARG A 19 251.275 237.803 241.482 1.00 0.00 C +ATOM 20 CA GLU A 20 254.687 238.951 242.729 1.00 0.00 C +ATOM 21 CA ARG A 21 255.076 242.531 243.976 1.00 0.00 C +ATOM 22 CA MET A 22 257.741 242.426 246.698 1.00 0.00 C +ATOM 23 CA SER A 23 261.157 242.384 248.384 1.00 0.00 C +ATOM 24 CA THR A 24 262.544 242.790 251.910 1.00 0.00 C +ATOM 25 CA LYS A 25 261.817 245.219 254.753 1.00 0.00 C +ATOM 26 CA ASN A 26 260.281 247.164 257.648 1.00 0.00 C +ATOM 27 CA GLY A 27 259.005 249.674 260.214 1.00 0.00 C +ATOM 28 CA ARG A 28 257.460 252.627 258.368 1.00 0.00 C +ATOM 29 CA LYS A 29 255.131 254.807 260.451 1.00 0.00 C +ATOM 30 CA VAL A 30 251.409 254.972 259.653 1.00 0.00 C +ATOM 31 CA LEU A 31 247.856 255.324 260.983 1.00 0.00 C +ATOM 32 CA ALA A 32 245.252 252.565 260.629 1.00 0.00 C +ATOM 33 CA ARG A 33 243.117 250.532 263.042 1.00 0.00 C +ATOM 34 CA ARG A 34 242.012 252.279 266.242 1.00 0.00 C +ATOM 35 CA ARG A 35 240.159 251.282 269.419 1.00 0.00 C +ATOM 36 CA ALA A 36 239.994 247.680 270.649 1.00 0.00 C +ATOM 37 CA LYS A 37 237.009 245.443 271.423 1.00 0.00 C +ATOM 38 CA GLY A 38 233.805 246.227 273.329 1.00 0.00 C +ATOM 39 CA ARG A 39 232.786 248.007 276.540 1.00 0.00 C +ATOM 40 CA LYS A 40 233.714 251.583 277.472 1.00 0.00 C +ATOM 41 CA THR A 41 237.254 251.463 278.876 1.00 0.00 C +ATOM 42 CA LEU A 42 240.859 250.252 279.109 1.00 0.00 C +ATOM 43 CA THR A 43 243.847 247.963 278.518 1.00 0.00 C +ATOM 44 CA ALA A 44 246.009 247.212 281.564 1.00 0.00 C +TER 45 ALA A 44 +END diff --git a/Bacteria/Q0C5Q0/Q0C5Q0.dcd b/Bacteria/Q0C5Q0/Q0C5Q0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c69cc058b2110c0b0f5b955435318b09d22b9dfc --- /dev/null +++ b/Bacteria/Q0C5Q0/Q0C5Q0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:277e9ee57c2d269fb33fc2afb4a1aeadf9886c3aef7ddee260e79b6893137350 +size 4760276 diff --git a/Bacteria/Q0C5Q0/top.pdb b/Bacteria/Q0C5Q0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..14296f5e37fe3f43bd84de14e4692c1abb5da9a7 --- /dev/null +++ b/Bacteria/Q0C5Q0/top.pdb @@ -0,0 +1,37 @@ +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 1 274.306 248.881 279.374 1.00 0.00 C +ATOM 2 CA HIS A 2 275.049 247.423 275.933 1.00 0.00 C +ATOM 3 CA ALA A 3 273.073 247.533 272.678 1.00 0.00 C +ATOM 4 CA ALA A 4 272.178 246.632 269.085 1.00 0.00 C +ATOM 5 CA GLU A 5 270.465 245.105 266.044 1.00 0.00 C +ATOM 6 CA GLU A 6 268.524 247.764 264.126 1.00 0.00 C +ATOM 7 CA SER A 7 268.777 248.704 260.443 1.00 0.00 C +ATOM 8 CA ARG A 8 266.526 246.984 257.896 1.00 0.00 C +ATOM 9 CA GLN A 9 266.951 248.270 254.335 1.00 0.00 C +ATOM 10 CA GLU A 10 268.350 250.394 251.497 1.00 0.00 C +ATOM 11 CA ASP A 11 265.344 252.052 249.844 1.00 0.00 C +ATOM 12 CA SER A 12 262.000 250.797 248.517 1.00 0.00 C +ATOM 13 CA LYS A 13 259.833 247.671 248.729 1.00 0.00 C +ATOM 14 CA GLU A 14 258.053 244.334 248.263 1.00 0.00 C +ATOM 15 CA PRO A 15 258.942 242.217 245.223 1.00 0.00 C +ATOM 16 CA GLU A 16 257.761 243.103 241.711 1.00 0.00 C +ATOM 17 CA GLU A 17 255.964 246.128 240.251 1.00 0.00 C +ATOM 18 CA LYS A 18 254.995 246.522 236.587 1.00 0.00 C +ATOM 19 CA VAL A 19 251.763 247.993 235.208 1.00 0.00 C +ATOM 20 CA HIS A 20 248.602 249.365 236.835 1.00 0.00 C +ATOM 21 CA GLY A 21 245.576 250.922 238.547 1.00 0.00 C +ATOM 22 CA ARG A 22 242.655 252.948 239.920 1.00 0.00 C +ATOM 23 CA ARG A 23 238.895 252.611 240.428 1.00 0.00 C +ATOM 24 CA THR A 24 236.679 249.893 241.918 1.00 0.00 C +ATOM 25 CA LEU A 25 232.924 250.237 242.467 1.00 0.00 C +ATOM 26 CA ARG A 26 229.483 248.944 241.465 1.00 0.00 C +ATOM 27 CA LYS A 27 226.416 249.552 243.643 1.00 0.00 C +ATOM 28 CA ALA A 28 224.250 251.103 246.367 1.00 0.00 C +ATOM 29 CA MET A 29 221.759 253.969 246.668 1.00 0.00 C +ATOM 30 CA PHE A 30 222.015 257.717 247.307 1.00 0.00 C +ATOM 31 CA THR A 31 220.152 260.842 248.436 1.00 0.00 C +ATOM 32 CA SER A 32 217.709 261.608 245.615 1.00 0.00 C +ATOM 33 CA PRO A 33 214.030 261.782 244.639 1.00 0.00 C +TER 34 PRO A 33 +END diff --git a/Bacteria/Q0C607/Q0C607.dcd b/Bacteria/Q0C607/Q0C607.dcd new file mode 100644 index 0000000000000000000000000000000000000000..5291a081c9bf74fadfb44addfd4ffce82800857b --- /dev/null +++ b/Bacteria/Q0C607/Q0C607.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e29a8a4a5c8a3c84d7c74e1fa9e114cac4ed40afb3e69236362448abb3a0d5fa +size 5600276 diff --git a/Bacteria/Q0C607/top.pdb b/Bacteria/Q0C607/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c50fe1c60ef98ad9601ea51a1d40f35bc9256fd9 --- /dev/null +++ b/Bacteria/Q0C607/top.pdb @@ -0,0 +1,44 @@ +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 1 248.414 261.822 261.900 1.00 0.00 C +ATOM 2 CA VAL A 2 251.573 259.697 261.769 1.00 0.00 C +ATOM 3 CA GLY A 3 255.072 260.707 260.650 1.00 0.00 C +ATOM 4 CA GLY A 4 257.631 261.073 257.851 1.00 0.00 C +ATOM 5 CA ALA A 5 259.502 263.989 256.267 1.00 0.00 C +ATOM 6 CA GLY A 6 262.924 262.900 254.995 1.00 0.00 C +ATOM 7 CA HIS A 7 262.737 262.494 251.211 1.00 0.00 C +ATOM 8 CA LEU A 8 261.424 260.515 248.233 1.00 0.00 C +ATOM 9 CA ALA A 9 261.740 257.403 246.057 1.00 0.00 C +ATOM 10 CA ALA A 10 259.127 256.676 243.381 1.00 0.00 C +ATOM 11 CA TYR A 11 257.987 253.093 242.764 1.00 0.00 C +ATOM 12 CA ALA A 12 254.736 251.192 242.185 1.00 0.00 C +ATOM 13 CA SER A 13 255.271 248.165 239.933 1.00 0.00 C +ATOM 14 CA LYS A 14 253.306 248.565 236.693 1.00 0.00 C +ATOM 15 CA ALA A 15 249.762 249.695 237.514 1.00 0.00 C +ATOM 16 CA GLY A 16 248.016 252.858 236.305 1.00 0.00 C +ATOM 17 CA LYS A 17 245.431 253.908 238.900 1.00 0.00 C +ATOM 18 CA LEU A 18 244.679 255.765 242.141 1.00 0.00 C +ATOM 19 CA LYS A 19 244.153 254.422 245.667 1.00 0.00 C +ATOM 20 CA GLU A 20 242.791 254.865 249.198 1.00 0.00 C +ATOM 21 CA PRO A 21 241.453 258.407 249.622 1.00 0.00 C +ATOM 22 CA SER A 22 243.882 260.173 251.967 1.00 0.00 C +ATOM 23 CA ALA A 23 244.897 258.872 255.401 1.00 0.00 C +ATOM 24 CA THR A 24 244.982 255.360 256.875 1.00 0.00 C +ATOM 25 CA LYS A 25 246.269 252.653 254.523 1.00 0.00 C +ATOM 26 CA PRO A 26 244.930 249.888 252.269 1.00 0.00 C +ATOM 27 CA GLU A 27 245.827 247.949 249.114 1.00 0.00 C +ATOM 28 CA PRO A 28 248.905 247.632 246.892 1.00 0.00 C +ATOM 29 CA GLU A 29 248.157 247.446 243.161 1.00 0.00 C +ATOM 30 CA GLN A 30 245.406 244.840 242.767 1.00 0.00 C +ATOM 31 CA SER A 31 242.341 242.738 243.608 1.00 0.00 C +ATOM 32 CA LYS A 32 242.322 242.544 247.413 1.00 0.00 C +ATOM 33 CA ALA A 33 243.518 239.224 248.849 1.00 0.00 C +ATOM 34 CA SER A 34 243.929 236.153 251.066 1.00 0.00 C +ATOM 35 CA HIS A 35 243.895 233.478 253.780 1.00 0.00 C +ATOM 36 CA THR A 36 247.001 232.064 255.472 1.00 0.00 C +ATOM 37 CA SER A 37 247.195 231.751 259.265 1.00 0.00 C +ATOM 38 CA GLU A 38 250.811 232.512 260.194 1.00 0.00 C +ATOM 39 CA ALA A 39 253.195 229.681 261.098 1.00 0.00 C +ATOM 40 CA GLY A 40 254.808 226.835 263.051 1.00 0.00 C +TER 41 GLY A 40 +END diff --git a/Bacteria/Q0C6T2/Q0C6T2.dcd b/Bacteria/Q0C6T2/Q0C6T2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d44c153353b07eeb6e70dc4352179340050f9694 --- /dev/null +++ b/Bacteria/Q0C6T2/Q0C6T2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:603bed5c0a46aee7fab96371459e3c97ee54a1edd4b8563fcbcbdc1530121f8d +size 7760276 diff --git a/Bacteria/Q0C6T2/top.pdb b/Bacteria/Q0C6T2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..bd31bc1bf9c490f946d49e1274eb3ea1c45d2b46 --- /dev/null +++ b/Bacteria/Q0C6T2/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 1 261.879 226.592 274.072 1.00 0.00 C +ATOM 2 CA VAL A 2 259.130 227.600 276.509 1.00 0.00 C +ATOM 3 CA VAL A 3 260.121 228.939 279.936 1.00 0.00 C +ATOM 4 CA LEU A 4 257.275 230.427 281.986 1.00 0.00 C +ATOM 5 CA PRO A 5 255.919 233.318 284.065 1.00 0.00 C +ATOM 6 CA SER A 6 257.817 236.083 285.871 1.00 0.00 C +ATOM 7 CA HIS A 7 256.660 239.386 284.364 1.00 0.00 C +ATOM 8 CA SER A 8 255.306 242.570 282.770 1.00 0.00 C +ATOM 9 CA ARG A 9 256.236 243.540 279.205 1.00 0.00 C +ATOM 10 CA ARG A 10 256.445 246.962 277.544 1.00 0.00 C +ATOM 11 CA ASN A 11 253.228 247.351 275.539 1.00 0.00 C +ATOM 12 CA MET A 12 250.156 247.205 273.291 1.00 0.00 C +ATOM 13 CA ARG A 13 249.473 248.958 269.978 1.00 0.00 C +ATOM 14 CA ARG A 14 246.289 249.767 268.049 1.00 0.00 C +ATOM 15 CA LYS A 15 244.821 253.014 266.700 1.00 0.00 C +ATOM 16 CA GLY A 16 245.285 256.242 264.731 1.00 0.00 C +ATOM 17 CA TYR A 17 246.581 258.888 262.314 1.00 0.00 C +ATOM 18 CA THR A 18 249.407 260.870 260.702 1.00 0.00 C +ATOM 19 CA MET A 19 248.708 264.454 259.616 1.00 0.00 C +ATOM 20 CA ALA A 20 251.177 267.122 258.475 1.00 0.00 C +ATOM 21 CA LYS A 21 251.314 270.190 256.220 1.00 0.00 C +ATOM 22 CA LYS A 22 251.730 269.996 252.438 1.00 0.00 C +ATOM 23 CA PRO A 23 253.441 272.756 250.445 1.00 0.00 C +ATOM 24 CA ASN A 24 252.588 272.965 246.738 1.00 0.00 C +ATOM 25 CA TYR A 25 249.847 270.664 245.431 1.00 0.00 C +ATOM 26 CA GLY A 26 247.069 270.434 248.028 1.00 0.00 C +ATOM 27 CA TYR A 27 244.509 269.658 250.742 1.00 0.00 C +ATOM 28 CA GLU A 28 243.527 269.309 254.406 1.00 0.00 C +ATOM 29 CA LYS A 29 241.331 266.252 254.996 1.00 0.00 C +ATOM 30 CA ARG A 30 241.933 262.490 254.970 1.00 0.00 C +ATOM 31 CA GLN A 31 243.794 259.743 253.097 1.00 0.00 C +ATOM 32 CA LYS A 32 242.681 257.332 250.364 1.00 0.00 C +ATOM 33 CA GLU A 33 243.186 253.869 248.860 1.00 0.00 C +ATOM 34 CA LEU A 34 245.699 251.959 250.994 1.00 0.00 C +ATOM 35 CA ALA A 35 244.013 248.643 251.817 1.00 0.00 C +ATOM 36 CA LYS A 36 242.112 245.350 252.054 1.00 0.00 C +ATOM 37 CA LYS A 37 242.916 241.820 250.866 1.00 0.00 C +ATOM 38 CA ALA A 38 245.130 240.968 247.885 1.00 0.00 C +ATOM 39 CA LYS A 39 244.728 238.589 244.935 1.00 0.00 C +ATOM 40 CA LYS A 40 244.230 239.520 241.275 1.00 0.00 C +ATOM 41 CA GLU A 41 245.890 239.573 237.846 1.00 0.00 C +ATOM 42 CA GLU A 42 247.203 242.916 236.575 1.00 0.00 C +ATOM 43 CA LYS A 43 246.202 245.916 234.449 1.00 0.00 C +ATOM 44 CA LYS A 44 247.770 249.139 233.158 1.00 0.00 C +ATOM 45 CA ARG A 45 246.456 250.363 229.798 1.00 0.00 C +ATOM 46 CA LYS A 46 247.527 250.062 226.154 1.00 0.00 C +ATOM 47 CA ARG A 47 245.998 248.160 223.228 1.00 0.00 C +ATOM 48 CA GLU A 48 244.679 249.678 219.992 1.00 0.00 C +ATOM 49 CA GLU A 49 244.772 246.854 217.436 1.00 0.00 C +ATOM 50 CA LYS A 50 246.566 243.499 217.645 1.00 0.00 C +ATOM 51 CA LEU A 51 250.092 243.631 216.208 1.00 0.00 C +ATOM 52 CA GLN A 52 251.348 246.906 214.719 1.00 0.00 C +ATOM 53 CA GLN A 53 254.745 248.051 216.008 1.00 0.00 C +ATOM 54 CA SER A 54 257.878 247.011 217.911 1.00 0.00 C +ATOM 55 CA PRO A 55 258.096 244.019 220.259 1.00 0.00 C +ATOM 56 CA GLU A 56 259.300 241.746 223.070 1.00 0.00 C +ATOM 57 CA GLU A 57 262.139 239.601 221.709 1.00 0.00 C +ATOM 58 CA GLU A 58 265.649 241.077 221.560 1.00 0.00 C +TER 59 GLU A 58 +END diff --git a/Bacteria/Q0EW59/Q0EW59.dcd b/Bacteria/Q0EW59/Q0EW59.dcd new file mode 100644 index 0000000000000000000000000000000000000000..9e2c85724335f74fc0ff671b50428e88e32116f2 --- /dev/null +++ b/Bacteria/Q0EW59/Q0EW59.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2db20c798e89523d0733faa4cd152100f7d7cc8abe8a5a43942293735565c0a1 +size 5120276 diff --git a/Bacteria/Q0EW59/top.pdb b/Bacteria/Q0EW59/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0d09bef21dbf057fe8bd95aac9bc34efdc4e147a --- /dev/null +++ b/Bacteria/Q0EW59/top.pdb @@ -0,0 +1,40 @@ +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 1 272.541 242.059 212.064 1.00 0.00 C +ATOM 2 CA ILE A 2 272.673 239.022 214.361 1.00 0.00 C +ATOM 3 CA LYS A 3 271.510 239.977 217.861 1.00 0.00 C +ATOM 4 CA PRO A 4 268.989 241.015 220.523 1.00 0.00 C +ATOM 5 CA GLY A 5 267.650 239.326 223.664 1.00 0.00 C +ATOM 6 CA ASP A 6 264.186 237.759 223.900 1.00 0.00 C +ATOM 7 CA SER A 7 262.896 237.805 227.485 1.00 0.00 C +ATOM 8 CA LYS A 8 262.385 239.599 230.807 1.00 0.00 C +ATOM 9 CA LYS A 9 261.334 239.960 234.451 1.00 0.00 C +ATOM 10 CA SER A 10 261.669 239.975 238.246 1.00 0.00 C +ATOM 11 CA PRO A 11 264.045 240.684 241.139 1.00 0.00 C +ATOM 12 CA GLY A 12 264.772 244.390 241.646 1.00 0.00 C +ATOM 13 CA SER A 13 264.433 246.415 244.855 1.00 0.00 C +ATOM 14 CA LEU A 14 260.699 247.043 245.274 1.00 0.00 C +ATOM 15 CA MET A 15 258.930 249.533 247.553 1.00 0.00 C +ATOM 16 CA GLY A 16 257.471 249.580 251.072 1.00 0.00 C +ATOM 17 CA SER A 17 257.811 252.218 253.800 1.00 0.00 C +ATOM 18 CA ASN A 18 257.959 252.988 257.529 1.00 0.00 C +ATOM 19 CA THR A 19 255.676 251.756 260.320 1.00 0.00 C +ATOM 20 CA TYR A 20 252.169 250.783 261.445 1.00 0.00 C +ATOM 21 CA GLY A 21 250.359 253.789 262.929 1.00 0.00 C +ATOM 22 CA GLU A 22 246.734 252.927 263.729 1.00 0.00 C +ATOM 23 CA HIS A 23 244.152 250.504 262.324 1.00 0.00 C +ATOM 24 CA HIS A 24 241.679 250.902 259.453 1.00 0.00 C +ATOM 25 CA ALA A 25 238.074 251.287 260.625 1.00 0.00 C +ATOM 26 CA GLY A 26 237.751 251.476 264.417 1.00 0.00 C +ATOM 27 CA LEU A 27 236.573 253.208 267.599 1.00 0.00 C +ATOM 28 CA SER A 28 236.543 257.016 267.717 1.00 0.00 C +ATOM 29 CA GLY A 29 234.238 258.621 270.291 1.00 0.00 C +ATOM 30 CA ARG A 30 231.579 259.674 272.809 1.00 0.00 C +ATOM 31 CA VAL A 31 230.408 263.296 272.983 1.00 0.00 C +ATOM 32 CA GLU A 32 227.772 264.249 270.403 1.00 0.00 C +ATOM 33 CA GLU A 33 224.901 263.914 267.921 1.00 0.00 C +ATOM 34 CA VAL A 34 222.251 264.219 265.200 1.00 0.00 C +ATOM 35 CA GLN A 35 220.037 262.235 262.816 1.00 0.00 C +ATOM 36 CA ALA A 36 217.151 260.797 260.787 1.00 0.00 C +TER 37 ALA A 36 +END diff --git a/Bacteria/Q0EZ35/Q0EZ35.dcd b/Bacteria/Q0EZ35/Q0EZ35.dcd new file mode 100644 index 0000000000000000000000000000000000000000..4f4d554890f73eb640b9cbf8c97f752b293ef102 --- /dev/null +++ b/Bacteria/Q0EZ35/Q0EZ35.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:67cc8b8c444a9b60cda4472f9a8dc0c027cb7fa62b5eaded8494dd4d218eff45 +size 4640276 diff --git a/Bacteria/Q0EZ35/top.pdb b/Bacteria/Q0EZ35/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f45d411b0108e12191544dc0eafaa1129d100586 --- /dev/null +++ b/Bacteria/Q0EZ35/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 MET A 1 237.210 234.224 276.246 1.00 0.00 C +ATOM 2 CA HIS A 2 240.177 236.602 276.487 1.00 0.00 C +ATOM 3 CA THR A 3 240.460 240.094 274.990 1.00 0.00 C +ATOM 4 CA ASP A 4 243.364 241.616 273.050 1.00 0.00 C +ATOM 5 CA LYS A 5 243.960 245.247 272.061 1.00 0.00 C +ATOM 6 CA LEU A 6 244.060 248.797 270.683 1.00 0.00 C +ATOM 7 CA HIS A 7 247.234 250.661 271.668 1.00 0.00 C +ATOM 8 CA ALA A 8 250.102 248.955 269.828 1.00 0.00 C +ATOM 9 CA LYS A 9 249.856 249.313 266.043 1.00 0.00 C +ATOM 10 CA GLY A 10 253.196 249.248 264.212 1.00 0.00 C +ATOM 11 CA ASP A 11 255.599 248.846 261.283 1.00 0.00 C +ATOM 12 CA ASP A 12 256.004 252.165 259.457 1.00 0.00 C +ATOM 13 CA THR A 13 256.422 251.374 255.754 1.00 0.00 C +ATOM 14 CA MET A 14 257.604 249.519 252.643 1.00 0.00 C +ATOM 15 CA ALA A 15 255.111 246.919 251.402 1.00 0.00 C +ATOM 16 CA GLU A 16 252.682 245.426 248.875 1.00 0.00 C +ATOM 17 CA SER A 17 251.607 243.992 245.512 1.00 0.00 C +ATOM 18 CA PRO A 18 251.290 243.869 241.718 1.00 0.00 C +ATOM 19 CA GLU A 19 250.035 244.710 238.220 1.00 0.00 C +ATOM 20 CA GLY A 20 251.845 247.939 237.317 1.00 0.00 C +ATOM 21 CA ASP A 21 251.572 249.403 233.810 1.00 0.00 C +ATOM 22 CA GLU A 22 248.707 249.711 231.318 1.00 0.00 C +ATOM 23 CA LYS A 23 246.437 252.500 230.060 1.00 0.00 C +ATOM 24 CA SER A 24 242.920 253.788 230.760 1.00 0.00 C +ATOM 25 CA GLU A 25 242.308 257.343 229.533 1.00 0.00 C +ATOM 26 CA ARG A 26 244.837 259.910 230.771 1.00 0.00 C +ATOM 27 CA ARG A 27 248.309 258.479 231.417 1.00 0.00 C +ATOM 28 CA SER A 28 251.538 257.261 233.030 1.00 0.00 C +ATOM 29 CA VAL A 29 254.461 259.486 234.040 1.00 0.00 C +ATOM 30 CA THR A 30 257.355 258.815 236.427 1.00 0.00 C +ATOM 31 CA ILE A 31 260.504 260.949 236.626 1.00 0.00 C +ATOM 32 CA ASP A 32 263.235 262.840 234.759 1.00 0.00 C +TER 33 ASP A 32 +END diff --git a/Bacteria/Q0F006/Q0F006.dcd b/Bacteria/Q0F006/Q0F006.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c96ac53ceaa61152559e4c7226c51fddc571fb14 --- /dev/null +++ b/Bacteria/Q0F006/Q0F006.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:48ec65c13cb0bfc7721526c6ddf197fb6f25dc88e4f1b4af0ead235b10c7fe3f +size 8120276 diff --git a/Bacteria/Q0F006/top.pdb b/Bacteria/Q0F006/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1afb9fd38dcc162a41846e22735251991634e331 --- /dev/null +++ b/Bacteria/Q0F006/top.pdb @@ -0,0 +1,65 @@ +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 1 233.438 225.247 223.187 1.00 0.00 C +ATOM 2 CA GLY A 2 236.280 227.106 224.913 1.00 0.00 C +ATOM 3 CA HIS A 3 239.474 228.995 225.777 1.00 0.00 C +ATOM 4 CA VAL A 4 239.737 228.899 229.577 1.00 0.00 C +ATOM 5 CA LYS A 5 239.914 229.452 233.342 1.00 0.00 C +ATOM 6 CA HIS A 6 240.474 227.725 236.692 1.00 0.00 C +ATOM 7 CA ARG A 7 241.204 229.479 239.995 1.00 0.00 C +ATOM 8 CA ARG A 8 242.840 231.917 242.423 1.00 0.00 C +ATOM 9 CA SER A 9 246.329 232.701 243.738 1.00 0.00 C +ATOM 10 CA GLU A 10 247.650 234.804 246.628 1.00 0.00 C +ATOM 11 CA GLU A 11 246.236 237.377 249.055 1.00 0.00 C +ATOM 12 CA SER A 12 248.164 240.661 249.175 1.00 0.00 C +ATOM 13 CA GLU A 13 247.270 242.796 246.148 1.00 0.00 C +ATOM 14 CA PHE A 14 249.298 241.705 243.113 1.00 0.00 C +ATOM 15 CA ILE A 15 252.224 240.358 241.077 1.00 0.00 C +ATOM 16 CA PRO A 16 255.042 239.477 238.669 1.00 0.00 C +ATOM 17 CA GLU A 17 254.298 239.250 234.940 1.00 0.00 C +ATOM 18 CA PHE A 18 255.556 242.328 233.079 1.00 0.00 C +ATOM 19 CA PRO A 19 256.075 246.069 233.580 1.00 0.00 C +ATOM 20 CA GLU A 20 256.423 249.862 233.649 1.00 0.00 C +ATOM 21 CA PRO A 21 257.417 253.071 235.447 1.00 0.00 C +ATOM 22 CA LYS A 22 254.455 254.145 237.590 1.00 0.00 C +ATOM 23 CA ARG A 23 252.599 254.817 240.848 1.00 0.00 C +ATOM 24 CA SER A 24 252.267 252.794 244.060 1.00 0.00 C +ATOM 25 CA LYS A 25 249.391 253.067 246.544 1.00 0.00 C +ATOM 26 CA LYS A 26 248.552 256.651 247.527 1.00 0.00 C +ATOM 27 CA ASP A 27 250.213 259.905 248.611 1.00 0.00 C +ATOM 28 CA GLU A 28 248.556 263.226 247.752 1.00 0.00 C +ATOM 29 CA LYS A 29 245.834 265.608 246.556 1.00 0.00 C +ATOM 30 CA ARG A 30 246.637 269.177 247.622 1.00 0.00 C +ATOM 31 CA TRP A 31 247.603 270.179 251.169 1.00 0.00 C +ATOM 32 CA ARG A 32 246.834 271.929 254.465 1.00 0.00 C +ATOM 33 CA LYS A 33 245.796 271.343 258.083 1.00 0.00 C +ATOM 34 CA HIS A 34 242.765 271.204 260.388 1.00 0.00 C +ATOM 35 CA ALA A 35 242.207 268.282 262.769 1.00 0.00 C +ATOM 36 CA GLY A 36 242.993 264.781 261.489 1.00 0.00 C +ATOM 37 CA ASN A 37 240.591 262.845 259.254 1.00 0.00 C +ATOM 38 CA ASP A 38 238.521 260.080 257.646 1.00 0.00 C +ATOM 39 CA ASP A 39 239.417 256.390 257.338 1.00 0.00 C +ATOM 40 CA ASP A 40 239.909 252.651 256.798 1.00 0.00 C +ATOM 41 CA GLU A 41 242.879 250.280 256.524 1.00 0.00 C +ATOM 42 CA TRP A 42 243.987 250.544 252.889 1.00 0.00 C +ATOM 43 CA GLY A 43 246.507 248.022 251.544 1.00 0.00 C +ATOM 44 CA ASP A 44 249.978 248.777 252.922 1.00 0.00 C +ATOM 45 CA ASP A 45 251.587 250.746 255.759 1.00 0.00 C +ATOM 46 CA ALA A 46 252.394 248.998 259.047 1.00 0.00 C +ATOM 47 CA GLU A 47 254.095 245.604 258.727 1.00 0.00 C +ATOM 48 CA TRP A 48 254.919 244.283 255.249 1.00 0.00 C +ATOM 49 CA SER A 49 258.109 244.760 253.222 1.00 0.00 C +ATOM 50 CA ASP A 50 260.469 247.593 254.182 1.00 0.00 C +ATOM 51 CA ASP A 51 261.578 250.881 255.755 1.00 0.00 C +ATOM 52 CA PHE A 52 260.765 254.064 257.684 1.00 0.00 C +ATOM 53 CA ASP A 53 259.470 257.595 257.073 1.00 0.00 C +ATOM 54 CA SER A 54 260.308 259.755 260.098 1.00 0.00 C +ATOM 55 CA LEU A 55 263.219 259.046 262.452 1.00 0.00 C +ATOM 56 CA SER A 56 261.612 258.218 265.805 1.00 0.00 C +ATOM 57 CA PHE A 57 258.640 257.263 267.991 1.00 0.00 C +ATOM 58 CA ASP A 58 259.552 255.366 271.167 1.00 0.00 C +ATOM 59 CA ASP A 59 261.568 255.219 274.396 1.00 0.00 C +ATOM 60 CA ASP A 60 264.196 256.009 277.039 1.00 0.00 C +ATOM 61 CA PHE A 61 263.685 258.625 279.762 1.00 0.00 C +TER 62 PHE A 61 +END diff --git a/Bacteria/Q0F0Q3/Q0F0Q3.dcd b/Bacteria/Q0F0Q3/Q0F0Q3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..5e144692e7d14af7510c0a813cf2a76206f04ec4 --- /dev/null +++ b/Bacteria/Q0F0Q3/Q0F0Q3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f682a028a2df724efad88786c9cb11de287c658403b50ce7477a784fed634b97 +size 8720276 diff --git a/Bacteria/Q0F0Q3/top.pdb b/Bacteria/Q0F0Q3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..26aa3bd7479b6f1610e3746d1b1f60231e739a4a --- /dev/null +++ b/Bacteria/Q0F0Q3/top.pdb @@ -0,0 +1,70 @@ +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 1 263.903 274.887 279.519 1.00 0.00 C +ATOM 2 CA PRO A 2 262.419 271.901 277.675 1.00 0.00 C +ATOM 3 CA LYS A 3 260.511 269.109 275.921 1.00 0.00 C +ATOM 4 CA MET A 4 261.267 267.482 272.560 1.00 0.00 C +ATOM 5 CA LYS A 5 262.899 264.261 271.344 1.00 0.00 C +ATOM 6 CA SER A 6 264.524 261.719 269.019 1.00 0.00 C +ATOM 7 CA ASN A 7 264.734 263.057 265.458 1.00 0.00 C +ATOM 8 CA SER A 8 263.318 265.887 263.337 1.00 0.00 C +ATOM 9 CA GLY A 9 259.968 267.701 263.281 1.00 0.00 C +ATOM 10 CA ALA A 10 257.340 270.162 262.034 1.00 0.00 C +ATOM 11 CA ALA A 11 255.310 268.197 259.478 1.00 0.00 C +ATOM 12 CA LYS A 12 251.739 266.870 259.482 1.00 0.00 C +ATOM 13 CA ARG A 13 251.154 263.755 261.596 1.00 0.00 C +ATOM 14 CA PHE A 14 253.348 260.764 260.725 1.00 0.00 C +ATOM 15 CA SER A 15 251.108 257.684 260.822 1.00 0.00 C +ATOM 16 CA LYS A 16 248.322 258.305 263.346 1.00 0.00 C +ATOM 17 CA THR A 17 245.326 259.797 265.167 1.00 0.00 C +ATOM 18 CA GLY A 18 241.620 259.383 265.950 1.00 0.00 C +ATOM 19 CA SER A 19 238.803 260.231 263.529 1.00 0.00 C +ATOM 20 CA GLY A 20 239.117 262.718 260.661 1.00 0.00 C +ATOM 21 CA LYS A 21 238.793 260.826 257.369 1.00 0.00 C +ATOM 22 CA TRP A 22 239.194 262.911 254.205 1.00 0.00 C +ATOM 23 CA LYS A 23 236.792 263.868 251.407 1.00 0.00 C +ATOM 24 CA ARG A 24 236.216 266.504 248.717 1.00 0.00 C +ATOM 25 CA ASN A 25 235.224 267.659 245.225 1.00 0.00 C +ATOM 26 CA LYS A 26 234.444 270.628 242.968 1.00 0.00 C +ATOM 27 CA ALA A 27 237.653 271.831 241.302 1.00 0.00 C +ATOM 28 CA PHE A 28 239.564 270.534 238.272 1.00 0.00 C +ATOM 29 CA GLY A 29 241.938 267.569 237.964 1.00 0.00 C +ATOM 30 CA SER A 30 240.158 264.271 238.650 1.00 0.00 C +ATOM 31 CA HIS A 31 238.894 261.431 236.447 1.00 0.00 C +ATOM 32 CA ILE A 32 235.821 259.310 237.205 1.00 0.00 C +ATOM 33 CA LEU A 33 234.352 256.185 238.814 1.00 0.00 C +ATOM 34 CA THR A 34 232.611 252.826 239.264 1.00 0.00 C +ATOM 35 CA LYS A 35 229.208 251.552 240.411 1.00 0.00 C +ATOM 36 CA LYS A 36 227.905 252.800 243.767 1.00 0.00 C +ATOM 37 CA SER A 37 224.853 254.048 245.675 1.00 0.00 C +ATOM 38 CA PRO A 38 224.444 251.804 248.728 1.00 0.00 C +ATOM 39 CA LYS A 39 227.091 249.982 250.774 1.00 0.00 C +ATOM 40 CA ARG A 40 228.544 248.793 254.090 1.00 0.00 C +ATOM 41 CA LYS A 41 231.603 246.876 255.309 1.00 0.00 C +ATOM 42 CA ARG A 42 234.304 244.430 254.198 1.00 0.00 C +ATOM 43 CA ASN A 43 235.811 243.248 250.904 1.00 0.00 C +ATOM 44 CA MET A 44 239.149 241.677 251.854 1.00 0.00 C +ATOM 45 CA ARG A 45 241.495 238.824 252.788 1.00 0.00 C +ATOM 46 CA GLY A 46 245.097 237.614 252.507 1.00 0.00 C +ATOM 47 CA THR A 47 248.745 238.263 251.620 1.00 0.00 C +ATOM 48 CA GLU A 48 251.585 235.910 252.577 1.00 0.00 C +ATOM 49 CA LEU A 49 251.400 232.601 250.697 1.00 0.00 C +ATOM 50 CA VAL A 50 252.831 229.579 252.524 1.00 0.00 C +ATOM 51 CA SER A 51 255.985 228.167 250.918 1.00 0.00 C +ATOM 52 CA GLY A 52 259.741 228.415 251.506 1.00 0.00 C +ATOM 53 CA SER A 53 262.043 226.526 249.129 1.00 0.00 C +ATOM 54 CA ASP A 54 262.131 223.133 247.399 1.00 0.00 C +ATOM 55 CA ALA A 55 263.431 220.472 245.002 1.00 0.00 C +ATOM 56 CA LYS A 56 263.104 221.410 241.324 1.00 0.00 C +ATOM 57 CA ALA A 57 265.960 221.701 238.819 1.00 0.00 C +ATOM 58 CA LEU A 58 267.703 220.388 235.696 1.00 0.00 C +ATOM 59 CA GLU A 59 270.272 218.642 233.490 1.00 0.00 C +ATOM 60 CA ARG A 60 271.140 219.914 230.006 1.00 0.00 C +ATOM 61 CA LEU A 61 273.071 222.434 227.900 1.00 0.00 C +ATOM 62 CA VAL A 62 273.497 225.834 226.234 1.00 0.00 C +ATOM 63 CA PRO A 63 273.459 229.021 224.146 1.00 0.00 C +ATOM 64 CA GLY A 64 274.699 232.326 222.714 1.00 0.00 C +ATOM 65 CA ARG A 65 275.637 235.432 220.716 1.00 0.00 C +ATOM 66 CA GLY A 66 275.675 237.960 217.866 1.00 0.00 C +TER 67 GLY A 66 +END diff --git a/Bacteria/Q0F0V0/Q0F0V0.dcd b/Bacteria/Q0F0V0/Q0F0V0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..9bfcf3d03ee9fca57a2f07a0cfbd93aa48034272 --- /dev/null +++ b/Bacteria/Q0F0V0/Q0F0V0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ce98e1fb60ee47cdea264cc6f7ff0f1a8a9d0505b4b27d48ef7e45ba1b3c5737 +size 7280276 diff --git a/Bacteria/Q0F0V0/top.pdb b/Bacteria/Q0F0V0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0d8c72e95d50bd0deed2abd77370d7843616bcec --- /dev/null +++ b/Bacteria/Q0F0V0/top.pdb @@ -0,0 +1,58 @@ +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 1 251.837 246.959 255.037 1.00 0.00 C +ATOM 2 CA ALA A 2 251.777 243.211 255.718 1.00 0.00 C +ATOM 3 CA ARG A 3 248.412 241.546 256.366 1.00 0.00 C +ATOM 4 CA GLN A 4 245.857 243.071 258.746 1.00 0.00 C +ATOM 5 CA ASN A 5 245.862 246.881 258.785 1.00 0.00 C +ATOM 6 CA PHE A 6 245.906 250.690 258.737 1.00 0.00 C +ATOM 7 CA LYS A 7 247.864 253.951 258.517 1.00 0.00 C +ATOM 8 CA PHE A 8 251.290 255.203 259.619 1.00 0.00 C +ATOM 9 CA GLU A 9 251.872 253.735 263.086 1.00 0.00 C +ATOM 10 CA LYS A 10 255.226 254.856 264.505 1.00 0.00 C +ATOM 11 CA ARG A 11 256.092 257.632 266.968 1.00 0.00 C +ATOM 12 CA GLN A 12 256.326 261.158 265.544 1.00 0.00 C +ATOM 13 CA LYS A 13 259.336 262.251 263.480 1.00 0.00 C +ATOM 14 CA GLU A 14 259.362 265.451 261.412 1.00 0.00 C +ATOM 15 CA ILE A 15 258.549 267.392 258.236 1.00 0.00 C +ATOM 16 CA ALA A 16 255.727 265.744 256.278 1.00 0.00 C +ATOM 17 CA LYS A 17 254.233 263.888 253.305 1.00 0.00 C +ATOM 18 CA GLN A 18 255.691 263.047 249.887 1.00 0.00 C +ATOM 19 CA LYS A 19 259.309 264.144 249.414 1.00 0.00 C +ATOM 20 CA LYS A 20 262.881 264.550 248.155 1.00 0.00 C +ATOM 21 CA ALA A 21 265.835 264.535 245.748 1.00 0.00 C +ATOM 22 CA GLU A 22 269.354 265.979 245.976 1.00 0.00 C +ATOM 23 CA GLU A 23 272.837 265.890 247.517 1.00 0.00 C +ATOM 24 CA LYS A 24 272.850 263.609 250.568 1.00 0.00 C +ATOM 25 CA ARG A 25 272.498 260.372 252.548 1.00 0.00 C +ATOM 26 CA LEU A 26 272.022 257.232 254.653 1.00 0.00 C +ATOM 27 CA ARG A 27 269.869 254.092 254.521 1.00 0.00 C +ATOM 28 CA LYS A 28 267.443 252.396 252.122 1.00 0.00 C +ATOM 29 CA GLN A 29 265.539 249.107 252.385 1.00 0.00 C +ATOM 30 CA GLY A 30 263.072 246.983 250.404 1.00 0.00 C +ATOM 31 CA ILE A 31 260.664 244.035 250.249 1.00 0.00 C +ATOM 32 CA GLU A 32 260.520 240.607 248.592 1.00 0.00 C +ATOM 33 CA ILE A 33 258.766 237.729 246.816 1.00 0.00 C +ATOM 34 CA ASP A 34 255.834 235.935 245.173 1.00 0.00 C +ATOM 35 CA ASP A 35 252.418 237.201 246.288 1.00 0.00 C +ATOM 36 CA ASP A 36 249.099 237.934 248.010 1.00 0.00 C +ATOM 37 CA ALA A 37 247.770 234.741 249.607 1.00 0.00 C +ATOM 38 CA SER A 38 243.988 234.447 249.250 1.00 0.00 C +ATOM 39 CA GLY A 39 242.540 237.686 247.860 1.00 0.00 C +ATOM 40 CA GLU A 40 238.944 238.857 248.321 1.00 0.00 C +ATOM 41 CA ASN A 41 237.017 239.608 251.521 1.00 0.00 C +ATOM 42 CA SER A 42 235.157 242.887 250.972 1.00 0.00 C +ATOM 43 CA PRO A 43 233.077 245.565 249.234 1.00 0.00 C +ATOM 44 CA LYS A 44 233.771 247.578 246.074 1.00 0.00 C +ATOM 45 CA GLU A 45 231.195 247.130 243.303 1.00 0.00 C +ATOM 46 CA PRO A 46 228.569 244.462 242.596 1.00 0.00 C +ATOM 47 CA SER A 47 229.356 241.033 241.134 1.00 0.00 C +ATOM 48 CA VAL A 48 226.832 238.763 239.405 1.00 0.00 C +ATOM 49 CA ASP A 49 226.415 240.052 235.844 1.00 0.00 C +ATOM 50 CA ASP A 50 226.982 239.257 232.161 1.00 0.00 C +ATOM 51 CA TRP A 51 227.672 242.381 230.093 1.00 0.00 C +ATOM 52 CA LEU A 52 228.183 245.863 228.633 1.00 0.00 C +ATOM 53 CA SER A 53 228.755 249.178 230.422 1.00 0.00 C +ATOM 54 CA SER A 54 231.752 251.520 230.204 1.00 0.00 C +TER 55 SER A 54 +END diff --git a/Bacteria/Q0F120/Q0F120.dcd b/Bacteria/Q0F120/Q0F120.dcd new file mode 100644 index 0000000000000000000000000000000000000000..29ebacb90373ea653b89e14fb4853621227c33e8 --- /dev/null +++ b/Bacteria/Q0F120/Q0F120.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1aafe428ff4e3bb3bff81caf764e213e66933e8715d67cc50ac4f854fed2163c +size 5960276 diff --git a/Bacteria/Q0F120/top.pdb b/Bacteria/Q0F120/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f99cca750c2cfe9e9fdbfbaf8e165d1de3561298 --- /dev/null +++ b/Bacteria/Q0F120/top.pdb @@ -0,0 +1,47 @@ +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 1 270.228 236.021 254.343 1.00 0.00 C +ATOM 2 CA LEU A 2 268.612 239.466 254.150 1.00 0.00 C +ATOM 3 CA HIS A 3 265.049 239.344 255.492 1.00 0.00 C +ATOM 4 CA GLY A 4 263.619 242.533 257.010 1.00 0.00 C +ATOM 5 CA GLY A 5 262.234 245.855 258.259 1.00 0.00 C +ATOM 6 CA GLY A 6 265.027 247.262 260.435 1.00 0.00 C +ATOM 7 CA ARG A 7 268.084 247.567 258.182 1.00 0.00 C +ATOM 8 CA HIS A 8 268.406 247.073 254.418 1.00 0.00 C +ATOM 9 CA GLY A 9 267.231 248.197 250.972 1.00 0.00 C +ATOM 10 CA VAL A 10 263.952 247.071 249.393 1.00 0.00 C +ATOM 11 CA ARG A 11 264.070 245.074 246.151 1.00 0.00 C +ATOM 12 CA LEU A 12 261.832 241.996 246.337 1.00 0.00 C +ATOM 13 CA SER A 13 261.306 240.982 249.972 1.00 0.00 C +ATOM 14 CA ALA A 14 258.040 239.559 251.323 1.00 0.00 C +ATOM 15 CA GLU A 15 255.807 240.617 254.223 1.00 0.00 C +ATOM 16 CA HIS A 16 254.837 238.704 257.372 1.00 0.00 C +ATOM 17 CA ALA A 17 255.950 235.232 258.477 1.00 0.00 C +ATOM 18 CA ASP A 18 253.258 233.899 260.821 1.00 0.00 C +ATOM 19 CA ALA A 19 252.518 236.776 263.207 1.00 0.00 C +ATOM 20 CA GLY A 20 249.120 238.006 264.416 1.00 0.00 C +ATOM 21 CA ASP A 21 247.703 240.906 262.391 1.00 0.00 C +ATOM 22 CA ASP A 22 245.004 241.341 259.737 1.00 0.00 C +ATOM 23 CA TYR A 23 244.520 241.570 255.965 1.00 0.00 C +ATOM 24 CA LEU A 24 241.829 243.945 254.688 1.00 0.00 C +ATOM 25 CA HIS A 25 243.556 246.669 252.660 1.00 0.00 C +ATOM 26 CA ARG A 26 241.338 249.465 251.326 1.00 0.00 C +ATOM 27 CA LYS A 27 242.028 253.211 251.256 1.00 0.00 C +ATOM 28 CA GLN A 28 239.120 255.673 251.280 1.00 0.00 C +ATOM 29 CA PRO A 29 239.920 258.561 248.928 1.00 0.00 C +ATOM 30 CA ARG A 30 240.004 261.837 246.984 1.00 0.00 C +ATOM 31 CA HIS A 31 242.077 264.997 247.466 1.00 0.00 C +ATOM 32 CA GLN A 32 243.187 268.245 249.120 1.00 0.00 C +ATOM 33 CA ALA A 33 243.741 270.706 246.265 1.00 0.00 C +ATOM 34 CA GLY A 34 242.733 271.014 242.604 1.00 0.00 C +ATOM 35 CA GLU A 35 241.315 269.308 239.506 1.00 0.00 C +ATOM 36 CA ALA A 36 240.309 268.617 235.897 1.00 0.00 C +ATOM 37 CA THR A 37 237.334 267.840 233.647 1.00 0.00 C +ATOM 38 CA GLU A 38 233.946 266.181 233.114 1.00 0.00 C +ATOM 39 CA MET A 39 233.839 262.585 234.369 1.00 0.00 C +ATOM 40 CA GLN A 40 234.821 259.210 235.840 1.00 0.00 C +ATOM 41 CA PHE A 41 233.686 255.819 237.155 1.00 0.00 C +ATOM 42 CA MET A 42 233.815 252.073 236.472 1.00 0.00 C +ATOM 43 CA PRO A 43 234.995 248.992 238.378 1.00 0.00 C +TER 44 PRO A 43 +END diff --git a/Bacteria/Q0F1C0/Q0F1C0.dcd b/Bacteria/Q0F1C0/Q0F1C0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..dd62c66a7fcf2fa1dc3f2e70044e4b6f0e4506a9 --- /dev/null +++ b/Bacteria/Q0F1C0/Q0F1C0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e7a3ff5dd8911f27e2c222bb2618e2b97539800fe703b7e3d66da94009de613d +size 4760276 diff --git a/Bacteria/Q0F1C0/top.pdb b/Bacteria/Q0F1C0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9d9f3567f2b7caafdfe2ca2d0b1a5c7221c1373d --- /dev/null +++ b/Bacteria/Q0F1C0/top.pdb @@ -0,0 +1,37 @@ +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 1 234.059 231.599 239.911 1.00 0.00 C +ATOM 2 CA GLY A 2 232.067 234.429 238.318 1.00 0.00 C +ATOM 3 CA LYS A 3 230.900 236.954 240.922 1.00 0.00 C +ATOM 4 CA GLU A 4 230.356 240.303 239.190 1.00 0.00 C +ATOM 5 CA GLN A 5 228.699 243.718 239.523 1.00 0.00 C +ATOM 6 CA LYS A 6 230.634 246.996 239.387 1.00 0.00 C +ATOM 7 CA SER A 7 234.195 246.252 240.519 1.00 0.00 C +ATOM 8 CA SER A 8 235.243 245.646 244.132 1.00 0.00 C +ATOM 9 CA ARG A 9 238.326 246.750 246.079 1.00 0.00 C +ATOM 10 CA GLU A 10 241.441 248.943 246.115 1.00 0.00 C +ATOM 11 CA SER A 11 242.169 249.580 249.800 1.00 0.00 C +ATOM 12 CA LYS A 12 241.943 248.112 253.309 1.00 0.00 C +ATOM 13 CA LYS A 13 242.519 248.168 257.075 1.00 0.00 C +ATOM 14 CA GLU A 14 244.789 249.975 259.544 1.00 0.00 C +ATOM 15 CA PRO A 15 246.888 252.636 261.284 1.00 0.00 C +ATOM 16 CA ALA A 16 250.415 253.843 262.074 1.00 0.00 C +ATOM 17 CA LYS A 17 251.029 256.649 259.571 1.00 0.00 C +ATOM 18 CA SER A 18 251.603 257.382 255.877 1.00 0.00 C +ATOM 19 CA PRO A 19 251.475 255.538 252.545 1.00 0.00 C +ATOM 20 CA LYS A 20 254.889 254.157 251.566 1.00 0.00 C +ATOM 21 CA GLU A 21 257.873 253.465 249.301 1.00 0.00 C +ATOM 22 CA LYS A 22 260.785 251.162 248.445 1.00 0.00 C +ATOM 23 CA LYS A 23 263.811 249.352 247.002 1.00 0.00 C +ATOM 24 CA ALA A 24 267.617 249.503 247.080 1.00 0.00 C +ATOM 25 CA ALA A 25 271.303 250.382 247.476 1.00 0.00 C +ATOM 26 CA LYS A 26 271.345 254.187 247.663 1.00 0.00 C +ATOM 27 CA LYS A 27 268.373 256.554 247.373 1.00 0.00 C +ATOM 28 CA ALA A 28 264.659 255.890 247.905 1.00 0.00 C +ATOM 29 CA LYS A 29 263.309 257.257 251.195 1.00 0.00 C +ATOM 30 CA LYS A 30 262.853 256.535 254.908 1.00 0.00 C +ATOM 31 CA ALA A 31 260.878 256.008 258.123 1.00 0.00 C +ATOM 32 CA ALA A 32 261.006 255.230 261.851 1.00 0.00 C +ATOM 33 CA ALA A 33 262.549 256.845 264.938 1.00 0.00 C +TER 34 ALA A 33 +END diff --git a/Bacteria/Q0F1R2/Q0F1R2.dcd b/Bacteria/Q0F1R2/Q0F1R2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8845465e687cd6704fd7b3bbc33761b1293e5b71 --- /dev/null +++ b/Bacteria/Q0F1R2/Q0F1R2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8bd7d998a8016f87d42510d54b11c698772a0d0ff34bb712c76901f6b97db18a +size 7160276 diff --git a/Bacteria/Q0F1R2/top.pdb b/Bacteria/Q0F1R2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3281a45ca03a4f778e09a219a8efbd09579c088a --- /dev/null +++ b/Bacteria/Q0F1R2/top.pdb @@ -0,0 +1,57 @@ +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 1 238.460 260.528 247.382 1.00 0.00 C +ATOM 2 CA LYS A 2 238.145 260.838 243.597 1.00 0.00 C +ATOM 3 CA GLY A 3 236.353 263.411 241.433 1.00 0.00 C +ATOM 4 CA GLY A 4 237.984 265.235 238.512 1.00 0.00 C +ATOM 5 CA VAL A 5 241.258 265.338 236.566 1.00 0.00 C +ATOM 6 CA ALA A 6 243.189 267.264 233.906 1.00 0.00 C +ATOM 7 CA LEU A 7 244.744 270.542 235.068 1.00 0.00 C +ATOM 8 CA SER A 8 247.114 270.197 238.031 1.00 0.00 C +ATOM 9 CA HIS A 9 245.365 271.994 240.899 1.00 0.00 C +ATOM 10 CA ASP A 10 247.011 272.623 244.277 1.00 0.00 C +ATOM 11 CA GLY A 11 245.630 275.660 246.116 1.00 0.00 C +ATOM 12 CA LEU A 12 244.892 275.867 249.848 1.00 0.00 C +ATOM 13 CA PHE A 13 246.193 273.073 252.088 1.00 0.00 C +ATOM 14 CA GLU A 14 249.908 272.865 252.904 1.00 0.00 C +ATOM 15 CA GLU A 15 251.572 269.750 254.335 1.00 0.00 C +ATOM 16 CA GLU A 16 252.697 266.614 252.486 1.00 0.00 C +ATOM 17 CA GLN A 17 254.233 263.177 251.901 1.00 0.00 C +ATOM 18 CA LYS A 18 251.763 260.781 250.266 1.00 0.00 C +ATOM 19 CA PRO A 19 248.449 259.287 249.124 1.00 0.00 C +ATOM 20 CA ASN A 20 248.272 256.489 246.543 1.00 0.00 C +ATOM 21 CA ALA A 21 250.644 253.824 245.207 1.00 0.00 C +ATOM 22 CA LYS A 22 250.975 250.902 247.630 1.00 0.00 C +ATOM 23 CA GLY A 23 249.925 249.252 250.900 1.00 0.00 C +ATOM 24 CA GLU A 24 246.601 250.409 252.359 1.00 0.00 C +ATOM 25 CA VAL A 25 243.553 249.780 250.162 1.00 0.00 C +ATOM 26 CA THR A 26 243.889 246.840 247.762 1.00 0.00 C +ATOM 27 CA LEU A 27 246.052 247.023 244.630 1.00 0.00 C +ATOM 28 CA SER A 28 248.122 244.940 242.203 1.00 0.00 C +ATOM 29 CA HIS A 29 247.103 241.276 241.983 1.00 0.00 C +ATOM 30 CA ASP A 30 247.034 238.121 244.118 1.00 0.00 C +ATOM 31 CA GLY A 31 249.758 235.583 243.308 1.00 0.00 C +ATOM 32 CA LEU A 32 252.548 233.046 243.850 1.00 0.00 C +ATOM 33 CA PHE A 33 252.899 230.252 246.417 1.00 0.00 C +ATOM 34 CA GLU A 34 253.401 228.005 249.453 1.00 0.00 C +ATOM 35 CA GLU A 35 253.080 227.916 253.248 1.00 0.00 C +ATOM 36 CA GLU A 36 253.618 229.427 256.704 1.00 0.00 C +ATOM 37 CA GLN A 37 253.934 231.697 259.747 1.00 0.00 C +ATOM 38 CA ARG A 38 256.841 234.140 259.426 1.00 0.00 C +ATOM 39 CA PRO A 39 260.293 234.028 257.817 1.00 0.00 C +ATOM 40 CA ASN A 40 260.384 237.066 255.521 1.00 0.00 C +ATOM 41 CA ALA A 41 260.985 240.584 254.187 1.00 0.00 C +ATOM 42 CA LYS A 42 261.809 243.743 256.151 1.00 0.00 C +ATOM 43 CA GLY A 43 263.006 242.745 259.628 1.00 0.00 C +ATOM 44 CA ARG A 44 263.099 242.682 263.437 1.00 0.00 C +ATOM 45 CA ARG A 45 260.505 242.360 266.209 1.00 0.00 C +ATOM 46 CA ASP A 46 257.138 242.299 264.427 1.00 0.00 C +ATOM 47 CA ILE A 47 256.076 238.946 262.964 1.00 0.00 C +ATOM 48 CA LYS A 48 253.121 239.334 260.591 1.00 0.00 C +ATOM 49 CA SER A 49 250.525 238.456 257.944 1.00 0.00 C +ATOM 50 CA LEU A 50 247.905 239.451 255.363 1.00 0.00 C +ATOM 51 CA PRO A 51 247.999 237.661 252.000 1.00 0.00 C +ATOM 52 CA PHE A 52 246.164 235.047 249.923 1.00 0.00 C +ATOM 53 CA VAL A 53 247.781 231.630 249.450 1.00 0.00 C +TER 54 VAL A 53 +END diff --git a/Bacteria/Q0F1R3/Q0F1R3.dcd b/Bacteria/Q0F1R3/Q0F1R3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..56b5e81da7ac37eb58be735d8c085555afb36ba4 --- /dev/null +++ b/Bacteria/Q0F1R3/Q0F1R3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4c0eb10ee3b374f5d5ce562cc8e713a692dd38db99504e8f9b349cf34c47d9f7 +size 8960276 diff --git a/Bacteria/Q0F1R3/top.pdb b/Bacteria/Q0F1R3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8a2ec792c66281b89c5993096d331c69413cc6a0 --- /dev/null +++ b/Bacteria/Q0F1R3/top.pdb @@ -0,0 +1,72 @@ +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 1 234.929 265.112 218.407 1.00 0.00 C +ATOM 2 CA PHE A 2 237.985 263.185 219.618 1.00 0.00 C +ATOM 3 CA GLU A 3 240.992 262.846 221.933 1.00 0.00 C +ATOM 4 CA GLU A 4 241.496 261.277 225.368 1.00 0.00 C +ATOM 5 CA GLU A 5 242.651 261.808 228.960 1.00 0.00 C +ATOM 6 CA GLN A 6 244.253 261.695 232.415 1.00 0.00 C +ATOM 7 CA ARG A 7 241.746 263.486 234.656 1.00 0.00 C +ATOM 8 CA PRO A 8 240.471 263.670 238.242 1.00 0.00 C +ATOM 9 CA ASN A 9 237.893 262.910 240.942 1.00 0.00 C +ATOM 10 CA ALA A 10 239.750 262.977 244.268 1.00 0.00 C +ATOM 11 CA LYS A 11 240.716 261.915 247.797 1.00 0.00 C +ATOM 12 CA GLY A 12 242.629 258.857 249.024 1.00 0.00 C +ATOM 13 CA GLU A 13 242.511 255.218 247.902 1.00 0.00 C +ATOM 14 CA VAL A 14 240.665 252.671 250.053 1.00 0.00 C +ATOM 15 CA THR A 15 238.979 254.021 253.191 1.00 0.00 C +ATOM 16 CA LEU A 16 238.892 255.281 256.786 1.00 0.00 C +ATOM 17 CA SER A 17 240.938 257.045 259.473 1.00 0.00 C +ATOM 18 CA HIS A 18 241.989 260.373 257.946 1.00 0.00 C +ATOM 19 CA SER A 19 243.927 263.087 256.102 1.00 0.00 C +ATOM 20 CA ARG A 20 245.738 263.886 252.847 1.00 0.00 C +ATOM 21 CA LEU A 21 245.056 266.848 250.550 1.00 0.00 C +ATOM 22 CA PHE A 22 247.719 269.207 249.186 1.00 0.00 C +ATOM 23 CA GLU A 23 251.172 269.222 250.797 1.00 0.00 C +ATOM 24 CA GLU A 24 253.345 271.495 248.646 1.00 0.00 C +ATOM 25 CA GLU A 25 256.315 269.422 247.465 1.00 0.00 C +ATOM 26 CA GLN A 26 258.262 266.204 248.072 1.00 0.00 C +ATOM 27 CA ARG A 27 261.107 263.671 248.125 1.00 0.00 C +ATOM 28 CA PRO A 28 262.541 262.875 244.686 1.00 0.00 C +ATOM 29 CA ASN A 29 264.280 260.340 242.436 1.00 0.00 C +ATOM 30 CA ALA A 30 262.964 256.835 243.144 1.00 0.00 C +ATOM 31 CA LYS A 31 261.727 253.315 243.915 1.00 0.00 C +ATOM 32 CA GLY A 32 260.894 250.622 241.351 1.00 0.00 C +ATOM 33 CA GLU A 33 258.525 251.882 238.647 1.00 0.00 C +ATOM 34 CA VAL A 34 256.287 254.835 239.534 1.00 0.00 C +ATOM 35 CA THR A 35 252.763 255.257 238.149 1.00 0.00 C +ATOM 36 CA LEU A 36 251.694 254.200 234.648 1.00 0.00 C +ATOM 37 CA SER A 37 250.518 252.593 231.400 1.00 0.00 C +ATOM 38 CA HIS A 38 247.024 252.464 229.885 1.00 0.00 C +ATOM 39 CA SER A 39 244.927 255.509 230.804 1.00 0.00 C +ATOM 40 CA ARG A 40 241.287 255.625 231.924 1.00 0.00 C +ATOM 41 CA LEU A 41 241.336 254.872 235.658 1.00 0.00 C +ATOM 42 CA PHE A 42 242.049 252.342 238.416 1.00 0.00 C +ATOM 43 CA GLU A 43 241.916 253.023 242.163 1.00 0.00 C +ATOM 44 CA GLU A 44 243.701 250.067 243.774 1.00 0.00 C +ATOM 45 CA GLU A 45 247.245 248.680 243.609 1.00 0.00 C +ATOM 46 CA GLN A 46 249.538 248.483 246.645 1.00 0.00 C +ATOM 47 CA ARG A 47 252.799 247.968 248.549 1.00 0.00 C +ATOM 48 CA PRO A 48 255.518 245.597 249.774 1.00 0.00 C +ATOM 49 CA ASN A 49 256.720 243.404 252.649 1.00 0.00 C +ATOM 50 CA ALA A 50 258.714 240.191 253.112 1.00 0.00 C +ATOM 51 CA LYS A 51 256.429 237.769 254.965 1.00 0.00 C +ATOM 52 CA GLY A 52 253.816 235.842 256.959 1.00 0.00 C +ATOM 53 CA GLU A 53 253.702 236.712 260.666 1.00 0.00 C +ATOM 54 CA VAL A 54 257.283 236.969 261.944 1.00 0.00 C +ATOM 55 CA THR A 55 257.984 236.434 265.651 1.00 0.00 C +ATOM 56 CA LEU A 56 256.278 235.996 269.029 1.00 0.00 C +ATOM 57 CA SER A 57 255.765 235.120 272.701 1.00 0.00 C +ATOM 58 CA HIS A 58 255.220 231.922 274.699 1.00 0.00 C +ATOM 59 CA SER A 59 258.187 230.015 276.140 1.00 0.00 C +ATOM 60 CA ARG A 60 256.797 226.999 278.008 1.00 0.00 C +ATOM 61 CA LEU A 61 253.325 226.091 276.726 1.00 0.00 C +ATOM 62 CA PHE A 62 251.694 222.884 275.475 1.00 0.00 C +ATOM 63 CA GLU A 63 250.666 219.353 274.479 1.00 0.00 C +ATOM 64 CA GLU A 64 252.708 216.816 276.457 1.00 0.00 C +ATOM 65 CA GLU A 65 256.083 216.864 278.223 1.00 0.00 C +ATOM 66 CA GLN A 66 257.940 220.032 277.207 1.00 0.00 C +ATOM 67 CA ARG A 67 258.229 221.514 273.708 1.00 0.00 C +ATOM 68 CA PRO A 68 260.798 224.301 273.323 1.00 0.00 C +TER 69 PRO A 68 +END diff --git a/Bacteria/Q0F264/Q0F264.dcd b/Bacteria/Q0F264/Q0F264.dcd new file mode 100644 index 0000000000000000000000000000000000000000..4f0f6718514e3af13698531e31cb34ec4f3ef246 --- /dev/null +++ b/Bacteria/Q0F264/Q0F264.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5555bcfe521835b03c9e0783fd81a5fd4c643e1178c7c438255e37c85152354d +size 5120276 diff --git a/Bacteria/Q0F264/top.pdb b/Bacteria/Q0F264/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..903d792f27225a6e45b8a76188dbfbe8eb9a201d --- /dev/null +++ b/Bacteria/Q0F264/top.pdb @@ -0,0 +1,40 @@ +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 1 249.354 267.647 244.710 1.00 0.00 C +ATOM 2 CA MET A 2 251.762 264.810 243.892 1.00 0.00 C +ATOM 3 CA ILE A 3 253.346 262.190 241.625 1.00 0.00 C +ATOM 4 CA ARG A 4 252.494 259.192 239.433 1.00 0.00 C +ATOM 5 CA ILE A 5 251.537 255.534 239.901 1.00 0.00 C +ATOM 6 CA HIS A 6 252.277 254.847 243.575 1.00 0.00 C +ATOM 7 CA GLU A 7 254.831 255.336 246.360 1.00 0.00 C +ATOM 8 CA ASP A 8 255.466 254.799 250.078 1.00 0.00 C +ATOM 9 CA LYS A 9 253.742 256.082 253.223 1.00 0.00 C +ATOM 10 CA SER A 10 253.196 256.119 256.994 1.00 0.00 C +ATOM 11 CA THR A 11 249.621 255.712 258.247 1.00 0.00 C +ATOM 12 CA THR A 12 247.863 253.248 260.561 1.00 0.00 C +ATOM 13 CA LYS A 13 250.013 250.158 261.146 1.00 0.00 C +ATOM 14 CA PRO A 14 247.981 247.365 262.754 1.00 0.00 C +ATOM 15 CA ALA A 15 245.074 244.914 262.997 1.00 0.00 C +ATOM 16 CA THR A 16 243.797 241.460 262.019 1.00 0.00 C +ATOM 17 CA ARG A 17 244.936 239.528 258.940 1.00 0.00 C +ATOM 18 CA ASP A 18 244.432 241.819 255.938 1.00 0.00 C +ATOM 19 CA ASN A 19 242.793 245.253 255.743 1.00 0.00 C +ATOM 20 CA ALA A 20 239.149 244.877 254.697 1.00 0.00 C +ATOM 21 CA SER A 21 236.209 246.993 253.517 1.00 0.00 C +ATOM 22 CA GLY A 22 236.672 250.436 251.951 1.00 0.00 C +ATOM 23 CA LYS A 23 240.414 250.686 251.282 1.00 0.00 C +ATOM 24 CA VAL A 24 242.443 249.111 248.468 1.00 0.00 C +ATOM 25 CA ASN A 25 245.881 249.921 247.040 1.00 0.00 C +ATOM 26 CA TYR A 26 248.142 250.950 249.929 1.00 0.00 C +ATOM 27 CA PRO A 27 247.862 248.367 252.716 1.00 0.00 C +ATOM 28 CA PHE A 28 249.533 245.099 251.693 1.00 0.00 C +ATOM 29 CA PRO A 29 251.430 245.580 248.424 1.00 0.00 C +ATOM 30 CA ARG A 30 253.661 246.824 245.597 1.00 0.00 C +ATOM 31 CA PRO A 31 256.840 248.781 246.361 1.00 0.00 C +ATOM 32 CA LEU A 32 260.231 247.080 246.011 1.00 0.00 C +ATOM 33 CA PHE A 33 261.740 245.389 242.949 1.00 0.00 C +ATOM 34 CA THR A 34 262.241 242.564 240.441 1.00 0.00 C +ATOM 35 CA ASN A 35 262.547 241.094 236.940 1.00 0.00 C +ATOM 36 CA LYS A 36 260.491 240.236 233.849 1.00 0.00 C +TER 37 LYS A 36 +END diff --git a/Bacteria/Q0F2F2/Q0F2F2.dcd b/Bacteria/Q0F2F2/Q0F2F2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..439f457db07bf4c131f397bd0b6a68672b29eb9e --- /dev/null +++ b/Bacteria/Q0F2F2/Q0F2F2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f158b33971d7acde844759821bdbebff4d95441c6744ab545592fb1255a1eae7 +size 4520276 diff --git a/Bacteria/Q0F2F2/top.pdb b/Bacteria/Q0F2F2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..fdb2667958d36a330c956adaf63eaef10370384b --- /dev/null +++ b/Bacteria/Q0F2F2/top.pdb @@ -0,0 +1,35 @@ +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 1 231.492 237.967 261.430 1.00 0.00 C +ATOM 2 CA SER A 2 234.070 238.251 258.639 1.00 0.00 C +ATOM 3 CA CYS A 3 236.530 241.036 259.480 1.00 0.00 C +ATOM 4 CA ASP A 4 237.325 244.175 261.487 1.00 0.00 C +ATOM 5 CA VAL A 5 238.769 246.920 259.273 1.00 0.00 C +ATOM 6 CA GLY A 6 242.173 247.984 257.935 1.00 0.00 C +ATOM 7 CA GLN A 7 242.534 249.412 254.421 1.00 0.00 C +ATOM 8 CA GLY A 8 240.490 252.114 252.679 1.00 0.00 C +ATOM 9 CA VAL A 9 242.102 255.177 251.087 1.00 0.00 C +ATOM 10 CA GLU A 10 245.888 255.101 250.672 1.00 0.00 C +ATOM 11 CA PRO A 11 246.548 256.128 247.063 1.00 0.00 C +ATOM 12 CA ASN A 12 247.331 258.217 243.975 1.00 0.00 C +ATOM 13 CA ASP A 13 246.679 260.728 241.185 1.00 0.00 C +ATOM 14 CA LEU A 14 245.021 262.762 238.422 1.00 0.00 C +ATOM 15 CA THR A 15 244.253 260.384 235.545 1.00 0.00 C +ATOM 16 CA VAL A 16 246.699 258.230 233.572 1.00 0.00 C +ATOM 17 CA TYR A 17 250.288 257.365 234.513 1.00 0.00 C +ATOM 18 CA GLY A 18 252.485 254.750 236.202 1.00 0.00 C +ATOM 19 CA LEU A 19 254.741 253.601 239.049 1.00 0.00 C +ATOM 20 CA LYS A 20 254.180 249.864 239.532 1.00 0.00 C +ATOM 21 CA GLY A 21 254.520 246.326 240.904 1.00 0.00 C +ATOM 22 CA ARG A 22 257.111 244.613 243.111 1.00 0.00 C +ATOM 23 CA SER A 23 259.678 244.243 245.902 1.00 0.00 C +ATOM 24 CA ARG A 24 260.016 246.616 248.864 1.00 0.00 C +ATOM 25 CA ASP A 25 262.731 248.846 250.337 1.00 0.00 C +ATOM 26 CA SER A 26 264.814 250.090 253.274 1.00 0.00 C +ATOM 27 CA ALA A 27 263.919 249.571 256.941 1.00 0.00 C +ATOM 28 CA LYS A 28 264.183 248.223 260.495 1.00 0.00 C +ATOM 29 CA ARG A 29 263.804 245.434 263.062 1.00 0.00 C +ATOM 30 CA PRO A 30 261.284 244.137 265.609 1.00 0.00 C +ATOM 31 CA ILE A 31 258.340 241.734 265.341 1.00 0.00 C +TER 32 ILE A 31 +END diff --git a/Bacteria/Q0F2R5/Q0F2R5.dcd b/Bacteria/Q0F2R5/Q0F2R5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..ede6cad265393b32702db3bba8a1e5821fcacc42 --- /dev/null +++ b/Bacteria/Q0F2R5/Q0F2R5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:77086eb4c74cbc31e4bfd96b7b539719939894822f39cb3e941ce826e242fddb +size 5120276 diff --git a/Bacteria/Q0F2R5/top.pdb b/Bacteria/Q0F2R5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..03ef51ea5ee7ef328e70ecf04199e3e369617d06 --- /dev/null +++ b/Bacteria/Q0F2R5/top.pdb @@ -0,0 +1,40 @@ +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 1 259.905 261.803 239.154 1.00 0.00 C +ATOM 2 CA GLU A 2 256.998 259.393 238.645 1.00 0.00 C +ATOM 3 CA SER A 3 254.842 256.486 237.455 1.00 0.00 C +ATOM 4 CA LEU A 4 251.271 256.835 238.738 1.00 0.00 C +ATOM 5 CA ILE A 5 249.949 260.394 238.411 1.00 0.00 C +ATOM 6 CA GLN A 6 248.900 261.614 234.958 1.00 0.00 C +ATOM 7 CA GLU A 7 245.173 261.286 234.237 1.00 0.00 C +ATOM 8 CA PRO A 8 241.836 260.111 232.821 1.00 0.00 C +ATOM 9 CA ALA A 9 240.889 256.877 234.598 1.00 0.00 C +ATOM 10 CA SER A 10 239.486 255.376 237.807 1.00 0.00 C +ATOM 11 CA ASN A 11 241.208 251.996 238.160 1.00 0.00 C +ATOM 12 CA PHE A 12 240.411 248.343 237.430 1.00 0.00 C +ATOM 13 CA SER A 13 243.328 246.083 238.382 1.00 0.00 C +ATOM 14 CA ALA A 14 245.410 244.478 241.140 1.00 0.00 C +ATOM 15 CA ARG A 15 247.058 247.230 243.196 1.00 0.00 C +ATOM 16 CA ALA A 16 247.998 246.048 246.694 1.00 0.00 C +ATOM 17 CA ARG A 17 248.525 245.223 250.376 1.00 0.00 C +ATOM 18 CA SER A 18 251.603 245.488 252.606 1.00 0.00 C +ATOM 19 CA ALA A 19 254.417 245.901 255.141 1.00 0.00 C +ATOM 20 CA GLY A 20 255.482 247.556 258.403 1.00 0.00 C +ATOM 21 CA VAL A 21 254.903 250.530 260.714 1.00 0.00 C +ATOM 22 CA SER A 22 253.965 254.082 261.722 1.00 0.00 C +ATOM 23 CA THR A 23 251.146 256.614 262.118 1.00 0.00 C +ATOM 24 CA PRO A 24 248.386 259.199 261.653 1.00 0.00 C +ATOM 25 CA MET A 25 245.870 257.876 259.116 1.00 0.00 C +ATOM 26 CA GLN A 26 244.137 254.520 259.618 1.00 0.00 C +ATOM 27 CA TRP A 27 246.183 251.519 258.466 1.00 0.00 C +ATOM 28 CA LYS A 28 247.270 247.939 259.183 1.00 0.00 C +ATOM 29 CA SER A 29 247.830 244.656 261.034 1.00 0.00 C +ATOM 30 CA PRO A 30 247.554 240.964 261.933 1.00 0.00 C +ATOM 31 CA THR A 31 249.809 237.893 261.973 1.00 0.00 C +ATOM 32 CA VAL A 32 253.537 237.484 262.645 1.00 0.00 C +ATOM 33 CA THR A 33 257.120 238.776 262.744 1.00 0.00 C +ATOM 34 CA ALA A 34 259.936 236.415 261.739 1.00 0.00 C +ATOM 35 CA ILE A 35 263.123 235.429 259.898 1.00 0.00 C +ATOM 36 CA SER A 36 264.540 237.582 257.092 1.00 0.00 C +TER 37 SER A 36 +END diff --git a/Bacteria/Q0F2U0/Q0F2U0.dcd b/Bacteria/Q0F2U0/Q0F2U0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..848df7a51c4a753c99d92d1850fa55bea11d6e30 --- /dev/null +++ b/Bacteria/Q0F2U0/Q0F2U0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d1c2b887f5fd778828843c0890f2f880732b1df08114c645e8422f766a417169 +size 5480276 diff --git a/Bacteria/Q0F2U0/top.pdb b/Bacteria/Q0F2U0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b1bb27db402d3377a87279dfabdccd5c7055a5b5 --- /dev/null +++ b/Bacteria/Q0F2U0/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 1 259.221 223.601 237.124 1.00 0.00 C +ATOM 2 CA ALA A 2 258.713 224.175 240.856 1.00 0.00 C +ATOM 3 CA VAL A 3 257.191 223.377 244.256 1.00 0.00 C +ATOM 4 CA THR A 4 254.659 226.016 245.324 1.00 0.00 C +ATOM 5 CA ARG A 5 253.649 228.996 247.472 1.00 0.00 C +ATOM 6 CA LYS A 6 254.147 231.508 250.293 1.00 0.00 C +ATOM 7 CA ARG A 7 252.312 234.154 252.330 1.00 0.00 C +ATOM 8 CA LYS A 8 248.895 235.369 253.498 1.00 0.00 C +ATOM 9 CA THR A 9 245.325 236.483 254.222 1.00 0.00 C +ATOM 10 CA ASP A 10 242.090 236.660 252.218 1.00 0.00 C +ATOM 11 CA ARG A 11 240.342 236.017 248.894 1.00 0.00 C +ATOM 12 CA LYS A 12 236.921 234.489 249.583 1.00 0.00 C +ATOM 13 CA SER A 13 234.110 236.214 251.491 1.00 0.00 C +ATOM 14 CA CYS A 14 234.064 239.259 253.781 1.00 0.00 C +ATOM 15 CA GLY A 15 234.566 243.011 254.216 1.00 0.00 C +ATOM 16 CA SER A 16 236.802 243.497 257.262 1.00 0.00 C +ATOM 17 CA ILE A 17 240.112 245.383 257.292 1.00 0.00 C +ATOM 18 CA LYS A 18 243.565 246.505 258.447 1.00 0.00 C +ATOM 19 CA GLN A 19 247.187 245.436 257.942 1.00 0.00 C +ATOM 20 CA ARG A 20 247.524 242.172 256.005 1.00 0.00 C +ATOM 21 CA PRO A 21 248.766 242.691 252.441 1.00 0.00 C +ATOM 22 CA GLU A 22 250.354 245.542 250.475 1.00 0.00 C +ATOM 23 CA ASN A 23 251.581 249.028 249.549 1.00 0.00 C +ATOM 24 CA LYS A 24 251.690 252.813 249.971 1.00 0.00 C +ATOM 25 CA SER A 25 251.938 254.819 246.741 1.00 0.00 C +ATOM 26 CA LYS A 26 252.082 258.088 244.791 1.00 0.00 C +ATOM 27 CA ARG A 27 255.257 259.163 242.978 1.00 0.00 C +ATOM 28 CA GLY A 28 257.903 261.352 244.626 1.00 0.00 C +ATOM 29 CA HIS A 29 257.675 264.845 246.131 1.00 0.00 C +ATOM 30 CA ILE A 30 260.731 266.659 247.503 1.00 0.00 C +ATOM 31 CA LYS A 31 260.160 267.407 251.195 1.00 0.00 C +ATOM 32 CA VAL A 32 256.843 268.877 252.357 1.00 0.00 C +ATOM 33 CA LEU A 33 253.392 270.364 251.725 1.00 0.00 C +ATOM 34 CA ARG A 34 250.126 272.325 251.688 1.00 0.00 C +ATOM 35 CA LYS A 35 250.646 275.915 250.523 1.00 0.00 C +ATOM 36 CA LYS A 36 253.865 277.906 250.957 1.00 0.00 C +ATOM 37 CA VAL A 37 253.034 281.434 249.781 1.00 0.00 C +ATOM 38 CA VAL A 38 256.085 282.471 247.748 1.00 0.00 C +ATOM 39 CA GLU A 39 256.475 285.977 246.309 1.00 0.00 C +TER 40 GLU A 39 +END diff --git a/Bacteria/Q0F354/Q0F354.dcd b/Bacteria/Q0F354/Q0F354.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c4375a229cbc721c3069a34962ce5d5786b33245 --- /dev/null +++ b/Bacteria/Q0F354/Q0F354.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:387aa7c1ca18107048b0147b757081937273e6b88b6efbfed76f2dd90849aae4 +size 5000276 diff --git a/Bacteria/Q0F354/top.pdb b/Bacteria/Q0F354/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..efb6814cce1d303fa295683676244c0682443e1c --- /dev/null +++ b/Bacteria/Q0F354/top.pdb @@ -0,0 +1,39 @@ +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 1 248.394 258.480 249.605 1.00 0.00 C +ATOM 2 CA ASP A 2 247.868 260.384 252.863 1.00 0.00 C +ATOM 3 CA ASP A 3 250.165 260.650 255.892 1.00 0.00 C +ATOM 4 CA GLU A 4 249.743 260.071 259.634 1.00 0.00 C +ATOM 5 CA PHE A 5 247.699 261.264 262.620 1.00 0.00 C +ATOM 6 CA GLN A 6 244.262 260.162 263.840 1.00 0.00 C +ATOM 7 CA LEU A 7 242.429 257.521 261.795 1.00 0.00 C +ATOM 8 CA VAL A 8 241.928 256.926 258.066 1.00 0.00 C +ATOM 9 CA ARG A 9 243.325 253.512 257.109 1.00 0.00 C +ATOM 10 CA SER A 10 242.934 249.925 255.887 1.00 0.00 C +ATOM 11 CA PRO A 11 246.336 248.395 255.109 1.00 0.00 C +ATOM 12 CA LEU A 12 247.064 244.825 256.224 1.00 0.00 C +ATOM 13 CA CYS A 13 250.344 243.240 257.342 1.00 0.00 C +ATOM 14 CA GLU A 14 251.366 239.580 257.621 1.00 0.00 C +ATOM 15 CA GLU A 15 254.414 239.239 255.361 1.00 0.00 C +ATOM 16 CA SER A 16 254.074 241.741 252.508 1.00 0.00 C +ATOM 17 CA THR A 17 257.398 242.762 250.951 1.00 0.00 C +ATOM 18 CA SER A 18 260.745 244.016 252.270 1.00 0.00 C +ATOM 19 CA ASP A 19 260.963 243.822 256.069 1.00 0.00 C +ATOM 20 CA GLY A 20 261.051 247.256 257.718 1.00 0.00 C +ATOM 21 CA GLU A 21 259.989 250.779 256.730 1.00 0.00 C +ATOM 22 CA THR A 22 256.275 251.229 256.009 1.00 0.00 C +ATOM 23 CA ALA A 23 252.919 249.957 254.732 1.00 0.00 C +ATOM 24 CA LYS A 24 253.539 248.409 251.306 1.00 0.00 C +ATOM 25 CA VAL A 25 250.246 247.701 249.526 1.00 0.00 C +ATOM 26 CA GLU A 26 248.791 250.879 248.010 1.00 0.00 C +ATOM 27 CA ILE A 27 247.468 252.730 244.954 1.00 0.00 C +ATOM 28 CA TYR A 28 247.542 253.414 241.206 1.00 0.00 C +ATOM 29 CA ARG A 29 246.828 252.716 237.529 1.00 0.00 C +ATOM 30 CA GLY A 30 246.871 251.474 233.928 1.00 0.00 C +ATOM 31 CA ALA A 31 248.037 247.846 233.912 1.00 0.00 C +ATOM 32 CA ASP A 32 249.425 244.452 232.877 1.00 0.00 C +ATOM 33 CA ASP A 33 248.967 243.985 229.124 1.00 0.00 C +ATOM 34 CA LYS A 34 245.663 245.242 227.704 1.00 0.00 C +ATOM 35 CA SER A 35 244.937 245.417 223.968 1.00 0.00 C +TER 36 SER A 35 +END diff --git a/Bacteria/Q0FH16/Q0FH16.dcd b/Bacteria/Q0FH16/Q0FH16.dcd new file mode 100644 index 0000000000000000000000000000000000000000..ad1d74fc30554287d6bca740f4160bc614acd4ec --- /dev/null +++ b/Bacteria/Q0FH16/Q0FH16.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:251638089bdf95b46ef91d6994a89f91eb9d288fa89076c78eed605babdc266b +size 7760276 diff --git a/Bacteria/Q0FH16/top.pdb b/Bacteria/Q0FH16/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..dd39887b588bed91a11b05b4fabbecc85b9dbe86 --- /dev/null +++ b/Bacteria/Q0FH16/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 1 212.294 236.540 206.082 1.00 0.00 C +ATOM 2 CA SER A 2 213.283 239.925 207.523 1.00 0.00 C +ATOM 3 CA LYS A 3 216.830 240.630 208.723 1.00 0.00 C +ATOM 4 CA VAL A 4 217.540 239.235 212.196 1.00 0.00 C +ATOM 5 CA ILE A 5 220.666 240.561 213.924 1.00 0.00 C +ATOM 6 CA ASN A 6 223.848 242.150 215.289 1.00 0.00 C +ATOM 7 CA LEU A 7 227.441 242.408 216.530 1.00 0.00 C +ATOM 8 CA ASN A 8 230.903 243.553 215.426 1.00 0.00 C +ATOM 9 CA LYS A 9 232.779 245.175 218.319 1.00 0.00 C +ATOM 10 CA ALA A 10 235.543 247.735 218.879 1.00 0.00 C +ATOM 11 CA ARG A 11 237.950 250.031 220.738 1.00 0.00 C +ATOM 12 CA LYS A 12 235.873 252.825 222.287 1.00 0.00 C +ATOM 13 CA ALA A 13 234.224 255.910 223.796 1.00 0.00 C +ATOM 14 CA ARG A 14 232.621 256.518 227.198 1.00 0.00 C +ATOM 15 CA ASP A 15 229.187 257.139 228.729 1.00 0.00 C +ATOM 16 CA LYS A 16 227.717 253.966 230.243 1.00 0.00 C +ATOM 17 CA ALA A 17 229.288 253.079 233.599 1.00 0.00 C +ATOM 18 CA ASP A 18 231.111 251.249 236.399 1.00 0.00 C +ATOM 19 CA LYS A 19 233.744 248.876 237.798 1.00 0.00 C +ATOM 20 CA ARG A 20 237.251 248.498 239.239 1.00 0.00 C +ATOM 21 CA ALA A 21 240.882 248.214 240.355 1.00 0.00 C +ATOM 22 CA THR A 22 243.615 249.713 242.545 1.00 0.00 C +ATOM 23 CA ALA A 23 244.435 247.593 245.603 1.00 0.00 C +ATOM 24 CA ASP A 24 247.308 245.233 246.434 1.00 0.00 C +ATOM 25 CA ARG A 25 250.880 246.539 246.668 1.00 0.00 C +ATOM 26 CA ASN A 26 253.817 244.901 244.878 1.00 0.00 C +ATOM 27 CA ALA A 27 257.573 244.976 245.513 1.00 0.00 C +ATOM 28 CA ALA A 28 260.156 247.777 245.552 1.00 0.00 C +ATOM 29 CA LEU A 29 258.820 251.332 245.847 1.00 0.00 C +ATOM 30 CA HIS A 30 257.874 255.015 245.608 1.00 0.00 C +ATOM 31 CA GLY A 31 258.027 258.598 246.895 1.00 0.00 C +ATOM 32 CA ARG A 32 260.869 261.127 247.100 1.00 0.00 C +ATOM 33 CA SER A 33 263.736 262.672 249.078 1.00 0.00 C +ATOM 34 CA LYS A 34 264.907 262.275 252.682 1.00 0.00 C +ATOM 35 CA ALA A 35 263.763 259.107 254.463 1.00 0.00 C +ATOM 36 CA ASP A 36 264.208 257.655 257.958 1.00 0.00 C +ATOM 37 CA LYS A 37 263.872 257.688 261.753 1.00 0.00 C +ATOM 38 CA ALA A 38 266.082 260.359 263.334 1.00 0.00 C +ATOM 39 CA LEU A 39 269.134 261.036 261.158 1.00 0.00 C +ATOM 40 CA ASP A 40 272.213 258.929 261.933 1.00 0.00 C +ATOM 41 CA LYS A 41 272.515 256.433 264.795 1.00 0.00 C +ATOM 42 CA SER A 42 270.190 255.556 267.683 1.00 0.00 C +ATOM 43 CA VAL A 43 271.153 254.334 271.161 1.00 0.00 C +ATOM 44 CA THR A 44 273.872 252.437 273.038 1.00 0.00 C +ATOM 45 CA GLU A 45 272.519 250.938 276.269 1.00 0.00 C +ATOM 46 CA ARG A 46 269.467 249.057 277.558 1.00 0.00 C +ATOM 47 CA ALA A 47 267.689 246.359 279.576 1.00 0.00 C +ATOM 48 CA GLU A 48 264.444 246.338 281.572 1.00 0.00 C +ATOM 49 CA ARG A 49 261.614 245.819 279.074 1.00 0.00 C +ATOM 50 CA ASP A 50 258.401 247.862 278.928 1.00 0.00 C +ATOM 51 CA LEU A 51 255.624 248.759 281.377 1.00 0.00 C +ATOM 52 CA ASP A 52 255.773 248.294 285.156 1.00 0.00 C +ATOM 53 CA GLY A 53 259.173 248.098 286.865 1.00 0.00 C +ATOM 54 CA HIS A 54 260.004 249.192 290.419 1.00 0.00 C +ATOM 55 CA ARG A 55 261.937 246.549 292.367 1.00 0.00 C +ATOM 56 CA ARG A 56 265.441 245.053 292.349 1.00 0.00 C +ATOM 57 CA ASP A 57 267.664 241.997 292.830 1.00 0.00 C +ATOM 58 CA GLU A 58 270.252 240.178 290.706 1.00 0.00 C +TER 59 GLU A 58 +END diff --git a/Bacteria/Q0FHM3/Q0FHM3.dcd b/Bacteria/Q0FHM3/Q0FHM3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..54cbd981c7ca38e8b3ef9d8e7a5c58381346c116 --- /dev/null +++ b/Bacteria/Q0FHM3/Q0FHM3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1eb680d3aaaff3fce9e89ed5d01d41ea0ffacf11fb14b1574bc5a39710177336 +size 8720276 diff --git a/Bacteria/Q0FHM3/top.pdb b/Bacteria/Q0FHM3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b0a1b10963cca334d5e5000d5da6273cf648e0f2 --- /dev/null +++ b/Bacteria/Q0FHM3/top.pdb @@ -0,0 +1,70 @@ +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 1 233.910 262.826 212.952 1.00 0.00 C +ATOM 2 CA ALA A 2 235.122 265.785 215.024 1.00 0.00 C +ATOM 3 CA GLU A 3 236.896 266.788 218.243 1.00 0.00 C +ATOM 4 CA ARG A 4 237.256 269.510 220.884 1.00 0.00 C +ATOM 5 CA TYR A 5 235.960 273.093 220.879 1.00 0.00 C +ATOM 6 CA ARG A 6 238.605 275.652 221.867 1.00 0.00 C +ATOM 7 CA SER A 7 240.351 277.499 224.705 1.00 0.00 C +ATOM 8 CA GLU A 8 242.529 275.803 227.331 1.00 0.00 C +ATOM 9 CA ASP A 9 243.067 272.399 228.954 1.00 0.00 C +ATOM 10 CA GLY A 10 244.315 270.712 232.134 1.00 0.00 C +ATOM 11 CA ARG A 11 245.548 268.988 235.300 1.00 0.00 C +ATOM 12 CA ARG A 12 246.981 269.358 238.811 1.00 0.00 C +ATOM 13 CA GLU A 13 247.051 266.431 241.248 1.00 0.00 C +ATOM 14 CA THR A 14 245.096 266.191 244.510 1.00 0.00 C +ATOM 15 CA GLU A 15 245.880 264.791 247.965 1.00 0.00 C +ATOM 16 CA GLU A 16 245.004 261.280 249.158 1.00 0.00 C +ATOM 17 CA TYR A 17 242.114 260.762 251.586 1.00 0.00 C +ATOM 18 CA ILE A 18 240.584 262.997 254.265 1.00 0.00 C +ATOM 19 CA ASP A 19 238.674 266.293 254.190 1.00 0.00 C +ATOM 20 CA SER A 20 239.757 269.330 256.219 1.00 0.00 C +ATOM 21 CA THR A 21 241.933 271.537 258.436 1.00 0.00 C +ATOM 22 CA GLU A 22 245.437 272.112 259.818 1.00 0.00 C +ATOM 23 CA THR A 23 248.011 272.733 262.557 1.00 0.00 C +ATOM 24 CA PRO A 24 251.574 271.385 262.545 1.00 0.00 C +ATOM 25 CA ASP A 25 252.429 268.139 264.347 1.00 0.00 C +ATOM 26 CA GLN A 26 252.383 264.386 263.689 1.00 0.00 C +ATOM 27 CA GLN A 27 253.619 261.002 262.451 1.00 0.00 C +ATOM 28 CA GLY A 28 256.837 258.980 262.186 1.00 0.00 C +ATOM 29 CA ARG A 29 258.388 255.560 261.542 1.00 0.00 C +ATOM 30 CA ALA A 30 260.063 253.423 258.869 1.00 0.00 C +ATOM 31 CA GLY A 31 263.317 251.543 258.241 1.00 0.00 C +ATOM 32 CA GLY A 32 265.091 252.899 255.154 1.00 0.00 C +ATOM 33 CA ALA A 33 267.221 250.774 252.817 1.00 0.00 C +ATOM 34 CA THR A 34 268.627 252.524 249.739 1.00 0.00 C +ATOM 35 CA GLU A 35 269.054 254.867 246.765 1.00 0.00 C +ATOM 36 CA ARG A 36 268.404 252.642 243.742 1.00 0.00 C +ATOM 37 CA GLN A 37 264.891 251.974 242.429 1.00 0.00 C +ATOM 38 CA VAL A 38 261.442 250.377 242.700 1.00 0.00 C +ATOM 39 CA GLY A 39 259.482 248.750 245.534 1.00 0.00 C +ATOM 40 CA THR A 40 256.526 247.023 243.862 1.00 0.00 C +ATOM 41 CA ARG A 41 255.467 243.760 242.206 1.00 0.00 C +ATOM 42 CA ASP A 42 253.443 240.646 241.354 1.00 0.00 C +ATOM 43 CA LEU A 43 255.093 237.304 242.145 1.00 0.00 C +ATOM 44 CA LEU A 44 257.934 235.596 244.024 1.00 0.00 C +ATOM 45 CA LYS A 45 258.364 232.886 246.666 1.00 0.00 C +ATOM 46 CA ARG A 46 259.200 229.246 245.909 1.00 0.00 C +ATOM 47 CA ALA A 47 259.021 226.787 248.813 1.00 0.00 C +ATOM 48 CA GLU A 48 258.788 225.751 252.472 1.00 0.00 C +ATOM 49 CA GLN A 49 258.942 225.762 256.279 1.00 0.00 C +ATOM 50 CA ASP A 50 255.442 225.748 257.785 1.00 0.00 C +ATOM 51 CA ARG A 51 253.377 222.857 259.159 1.00 0.00 C +ATOM 52 CA PRO A 52 249.601 223.302 259.414 1.00 0.00 C +ATOM 53 CA GLY A 53 248.365 222.134 262.823 1.00 0.00 C +ATOM 54 CA VAL A 54 245.016 220.572 263.751 1.00 0.00 C +ATOM 55 CA THR A 55 244.394 221.656 267.350 1.00 0.00 C +ATOM 56 CA ARG A 56 240.766 222.818 267.424 1.00 0.00 C +ATOM 57 CA VAL A 57 237.306 223.635 266.053 1.00 0.00 C +ATOM 58 CA ARG A 58 236.687 226.005 263.135 1.00 0.00 C +ATOM 59 CA LYS A 59 238.780 228.841 261.687 1.00 0.00 C +ATOM 60 CA SER A 60 242.495 228.096 261.282 1.00 0.00 C +ATOM 61 CA GLU A 61 245.565 229.683 262.885 1.00 0.00 C +ATOM 62 CA GLU A 62 248.484 230.494 265.196 1.00 0.00 C +ATOM 63 CA LYS A 63 251.791 232.382 265.314 1.00 0.00 C +ATOM 64 CA GLN A 64 251.395 236.171 265.254 1.00 0.00 C +ATOM 65 CA SER A 65 253.190 237.829 268.177 1.00 0.00 C +ATOM 66 CA ASP A 66 251.660 240.920 269.795 1.00 0.00 C +TER 67 ASP A 66 +END diff --git a/Bacteria/Q0FID5/Q0FID5.dcd b/Bacteria/Q0FID5/Q0FID5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..955e31aa316935846734a61e49f9a111c56004a7 --- /dev/null +++ b/Bacteria/Q0FID5/Q0FID5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ba60916a696f65f87e002af2888a9d80c91b45fe7473ad68fb7d4985129c2cda +size 7040276 diff --git a/Bacteria/Q0FID5/top.pdb b/Bacteria/Q0FID5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ee8e9bc7a0ec1d23f90f43231b0cb87428cb28f8 --- /dev/null +++ b/Bacteria/Q0FID5/top.pdb @@ -0,0 +1,56 @@ +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 1 268.494 244.486 274.853 1.00 0.00 C +ATOM 2 CA GLU A 2 269.118 241.876 272.149 1.00 0.00 C +ATOM 3 CA ARG A 3 267.327 243.061 269.001 1.00 0.00 C +ATOM 4 CA LYS A 4 263.882 241.986 267.780 1.00 0.00 C +ATOM 5 CA THR A 5 261.370 244.799 267.239 1.00 0.00 C +ATOM 6 CA GLY A 6 259.769 245.962 263.983 1.00 0.00 C +ATOM 7 CA SER A 7 257.251 243.682 262.256 1.00 0.00 C +ATOM 8 CA THR A 8 255.232 240.490 262.759 1.00 0.00 C +ATOM 9 CA LYS A 9 257.323 237.612 261.394 1.00 0.00 C +ATOM 10 CA THR A 10 259.911 238.871 258.898 1.00 0.00 C +ATOM 11 CA LYS A 11 263.670 239.234 259.404 1.00 0.00 C +ATOM 12 CA ALA A 12 264.320 242.983 259.216 1.00 0.00 C +ATOM 13 CA GLU A 13 267.400 245.163 258.691 1.00 0.00 C +ATOM 14 CA GLU A 14 266.433 248.377 256.889 1.00 0.00 C +ATOM 15 CA ARG A 15 262.872 248.859 255.622 1.00 0.00 C +ATOM 16 CA ASP A 16 259.808 247.255 257.222 1.00 0.00 C +ATOM 17 CA ALA A 17 257.112 249.938 257.449 1.00 0.00 C +ATOM 18 CA ARG A 18 253.377 249.358 256.969 1.00 0.00 C +ATOM 19 CA LEU A 19 251.206 246.385 255.991 1.00 0.00 C +ATOM 20 CA LYS A 20 247.747 245.149 257.002 1.00 0.00 C +ATOM 21 CA ALA A 21 246.791 246.753 260.323 1.00 0.00 C +ATOM 22 CA ALA A 22 247.293 246.626 264.097 1.00 0.00 C +ATOM 23 CA LEU A 23 248.709 245.661 267.500 1.00 0.00 C +ATOM 24 CA LYS A 24 249.706 248.789 269.433 1.00 0.00 C +ATOM 25 CA ALA A 25 252.816 250.285 267.818 1.00 0.00 C +ATOM 26 CA ASN A 26 252.437 251.409 264.197 1.00 0.00 C +ATOM 27 CA LEU A 27 250.418 252.720 261.244 1.00 0.00 C +ATOM 28 CA ALA A 28 252.285 255.826 260.069 1.00 0.00 C +ATOM 29 CA ARG A 29 254.542 257.406 257.438 1.00 0.00 C +ATOM 30 CA ARG A 30 254.370 257.122 253.642 1.00 0.00 C +ATOM 31 CA LYS A 31 250.877 257.110 252.119 1.00 0.00 C +ATOM 32 CA GLN A 32 247.656 255.270 251.251 1.00 0.00 C +ATOM 33 CA GLN A 33 246.463 251.694 251.803 1.00 0.00 C +ATOM 34 CA ALA A 34 246.971 248.103 250.634 1.00 0.00 C +ATOM 35 CA LYS A 35 245.956 245.507 248.037 1.00 0.00 C +ATOM 36 CA ALA A 36 243.852 244.185 245.149 1.00 0.00 C +ATOM 37 CA ARG A 37 241.588 243.102 242.282 1.00 0.00 C +ATOM 38 CA SER A 38 241.567 243.601 238.505 1.00 0.00 C +ATOM 39 CA ALA A 39 239.881 243.687 235.089 1.00 0.00 C +ATOM 40 CA ASP A 40 237.294 245.962 233.463 1.00 0.00 C +ATOM 41 CA SER A 41 237.624 249.411 231.877 1.00 0.00 C +ATOM 42 CA THR A 42 238.009 249.028 228.106 1.00 0.00 C +ATOM 43 CA ALA A 43 239.120 252.239 226.382 1.00 0.00 C +ATOM 44 CA ARG A 44 236.944 255.366 226.347 1.00 0.00 C +ATOM 45 CA ASP A 45 237.201 257.534 223.224 1.00 0.00 C +ATOM 46 CA GLN A 46 237.002 261.123 221.960 1.00 0.00 C +ATOM 47 CA SER A 47 239.915 263.052 223.479 1.00 0.00 C +ATOM 48 CA SER A 48 239.654 266.648 224.711 1.00 0.00 C +ATOM 49 CA GLU A 49 237.053 268.932 223.119 1.00 0.00 C +ATOM 50 CA GLU A 50 233.991 266.981 221.965 1.00 0.00 C +ATOM 51 CA ASP A 51 230.415 265.895 221.226 1.00 0.00 C +ATOM 52 CA ASN A 52 227.977 267.448 218.743 1.00 0.00 C +TER 53 ASN A 52 +END diff --git a/Bacteria/Q0FJD2/Q0FJD2.dcd b/Bacteria/Q0FJD2/Q0FJD2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..865bc7a41a93a9081f7c93fec7cfa7cd423a379a --- /dev/null +++ b/Bacteria/Q0FJD2/Q0FJD2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b7819152ca729aad28933f1ad81cbccfa476f6fa23fc66f3d7d17992d7b77f02 +size 5120276 diff --git a/Bacteria/Q0FJD2/top.pdb b/Bacteria/Q0FJD2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..086bf7071ca35d8c383e66a1b69f5a149c082c46 --- /dev/null +++ b/Bacteria/Q0FJD2/top.pdb @@ -0,0 +1,40 @@ +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 1 275.146 239.499 251.142 1.00 0.00 C +ATOM 2 CA LYS A 2 275.933 237.602 254.351 1.00 0.00 C +ATOM 3 CA GLN A 3 273.982 236.035 257.225 1.00 0.00 C +ATOM 4 CA ARG A 4 270.575 237.737 257.120 1.00 0.00 C +ATOM 5 CA ASP A 5 271.112 241.502 257.344 1.00 0.00 C +ATOM 6 CA ILE A 6 270.400 245.090 256.278 1.00 0.00 C +ATOM 7 CA ALA A 7 268.023 247.929 255.380 1.00 0.00 C +ATOM 8 CA GLY A 8 265.959 249.856 257.938 1.00 0.00 C +ATOM 9 CA GLY A 9 263.106 251.439 259.905 1.00 0.00 C +ATOM 10 CA ASP A 10 260.535 252.413 262.543 1.00 0.00 C +ATOM 11 CA PHE A 11 257.539 252.167 264.883 1.00 0.00 C +ATOM 12 CA GLY A 12 255.072 255.070 264.822 1.00 0.00 C +ATOM 13 CA ALA A 13 255.169 257.938 262.315 1.00 0.00 C +ATOM 14 CA PRO A 14 252.320 258.304 259.812 1.00 0.00 C +ATOM 15 CA ASN A 15 249.487 257.897 257.298 1.00 0.00 C +ATOM 16 CA ALA A 16 246.537 259.945 256.024 1.00 0.00 C +ATOM 17 CA ILE A 17 242.890 259.153 255.260 1.00 0.00 C +ATOM 18 CA ILE A 18 241.099 255.849 254.634 1.00 0.00 C +ATOM 19 CA PHE A 19 242.105 254.435 251.242 1.00 0.00 C +ATOM 20 CA SER A 20 245.555 255.181 249.807 1.00 0.00 C +ATOM 21 CA GLY A 21 246.789 256.256 246.367 1.00 0.00 C +ATOM 22 CA GLY A 22 245.039 257.548 243.239 1.00 0.00 C +ATOM 23 CA PRO A 23 243.964 254.904 240.716 1.00 0.00 C +ATOM 24 CA ASP A 24 243.290 251.289 239.716 1.00 0.00 C +ATOM 25 CA SER A 25 243.113 248.867 242.652 1.00 0.00 C +ATOM 26 CA LEU A 26 241.736 248.155 246.132 1.00 0.00 C +ATOM 27 CA THR A 27 239.181 245.332 246.275 1.00 0.00 C +ATOM 28 CA ARG A 28 237.372 244.360 243.066 1.00 0.00 C +ATOM 29 CA GLU A 29 235.399 241.117 242.745 1.00 0.00 C +ATOM 30 CA ARG A 30 232.769 240.907 239.996 1.00 0.00 C +ATOM 31 CA SER A 31 231.305 244.403 239.607 1.00 0.00 C +ATOM 32 CA PRO A 32 230.977 247.626 237.601 1.00 0.00 C +ATOM 33 CA ARG A 33 234.039 248.993 235.792 1.00 0.00 C +ATOM 34 CA PRO A 34 236.975 251.324 236.469 1.00 0.00 C +ATOM 35 CA PRO A 35 237.484 255.058 237.033 1.00 0.00 C +ATOM 36 CA LYS A 36 238.022 258.822 237.271 1.00 0.00 C +TER 37 LYS A 36 +END diff --git a/Bacteria/Q0FJR8/Q0FJR8.dcd b/Bacteria/Q0FJR8/Q0FJR8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..717b95e4fcd73e25cfc99355f7fe1bf2b67e34b2 --- /dev/null +++ b/Bacteria/Q0FJR8/Q0FJR8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4947883b847123abd512345f86c3c2276f1595050d2f161d64e6ece4fb8a9a9a +size 9320276 diff --git a/Bacteria/Q0FJR8/top.pdb b/Bacteria/Q0FJR8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..54790d73dd1a7fe6193622a5b34ca3caa51b9e8e --- /dev/null +++ b/Bacteria/Q0FJR8/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 MET A 1 229.865 244.268 256.017 1.00 0.00 C +ATOM 2 CA ASP A 2 226.971 244.721 258.454 1.00 0.00 C +ATOM 3 CA ILE A 3 224.589 247.643 259.001 1.00 0.00 C +ATOM 4 CA ARG A 4 224.892 251.438 258.851 1.00 0.00 C +ATOM 5 CA SER A 5 226.927 253.357 261.438 1.00 0.00 C +ATOM 6 CA PHE A 6 225.363 254.439 264.740 1.00 0.00 C +ATOM 7 CA GLY A 7 223.464 254.957 268.002 1.00 0.00 C +ATOM 8 CA ALA A 8 225.217 253.543 271.075 1.00 0.00 C +ATOM 9 CA ARG A 9 229.014 253.858 271.039 1.00 0.00 C +ATOM 10 CA PRO A 10 230.345 257.231 269.869 1.00 0.00 C +ATOM 11 CA THR A 11 232.319 256.675 266.658 1.00 0.00 C +ATOM 12 CA ARG A 12 236.129 256.675 266.694 1.00 0.00 C +ATOM 13 CA ARG A 13 238.405 259.028 264.744 1.00 0.00 C +ATOM 14 CA LEU A 14 237.355 260.320 261.318 1.00 0.00 C +ATOM 15 CA PRO A 15 237.336 261.785 257.801 1.00 0.00 C +ATOM 16 CA GLN A 16 239.436 259.522 255.567 1.00 0.00 C +ATOM 17 CA ALA A 17 241.648 256.723 254.231 1.00 0.00 C +ATOM 18 CA ALA A 18 244.584 255.891 251.950 1.00 0.00 C +ATOM 19 CA PRO A 19 247.565 258.233 251.571 1.00 0.00 C +ATOM 20 CA SER A 20 250.543 256.821 249.660 1.00 0.00 C +ATOM 21 CA ARG A 21 253.811 258.778 249.567 1.00 0.00 C +ATOM 22 CA PRO A 22 257.448 257.721 249.155 1.00 0.00 C +ATOM 23 CA ARG A 23 261.026 256.437 248.900 1.00 0.00 C +ATOM 24 CA THR A 24 262.077 255.352 252.397 1.00 0.00 C +ATOM 25 CA SER A 25 259.775 254.661 255.353 1.00 0.00 C +ATOM 26 CA GLY A 26 256.925 254.378 257.866 1.00 0.00 C +ATOM 27 CA THR A 27 253.568 254.104 256.086 1.00 0.00 C +ATOM 28 CA VAL A 28 252.178 250.580 256.494 1.00 0.00 C +ATOM 29 CA GLN A 29 249.520 248.634 254.580 1.00 0.00 C +ATOM 30 CA GLY A 30 250.460 247.211 251.173 1.00 0.00 C +ATOM 31 CA THR A 31 252.192 244.541 249.078 1.00 0.00 C +ATOM 32 CA ALA A 32 253.059 240.837 249.292 1.00 0.00 C +ATOM 33 CA ARG A 33 252.334 237.500 247.602 1.00 0.00 C +ATOM 34 CA ALA A 34 253.047 234.442 245.445 1.00 0.00 C +ATOM 35 CA GLY A 35 255.743 234.759 242.772 1.00 0.00 C +ATOM 36 CA ASP A 36 255.668 237.913 240.636 1.00 0.00 C +ATOM 37 CA ALA A 37 258.069 239.583 238.194 1.00 0.00 C +ATOM 38 CA PRO A 38 259.667 242.054 235.774 1.00 0.00 C +ATOM 39 CA PRO A 39 262.374 243.544 233.546 1.00 0.00 C +ATOM 40 CA PRO A 40 263.292 246.811 235.279 1.00 0.00 C +ATOM 41 CA GLY A 41 261.727 249.594 233.202 1.00 0.00 C +ATOM 42 CA LEU A 42 260.227 250.348 229.782 1.00 0.00 C +ATOM 43 CA ALA A 43 257.199 252.425 228.766 1.00 0.00 C +ATOM 44 CA MET A 44 254.533 253.474 231.278 1.00 0.00 C +ATOM 45 CA SER A 45 252.465 252.297 234.254 1.00 0.00 C +ATOM 46 CA ASP A 46 251.525 248.619 234.574 1.00 0.00 C +ATOM 47 CA PRO A 47 252.449 245.225 236.038 1.00 0.00 C +ATOM 48 CA ILE A 48 251.728 242.350 238.432 1.00 0.00 C +ATOM 49 CA VAL A 49 249.082 242.097 241.161 1.00 0.00 C +ATOM 50 CA ALA A 50 247.058 240.108 243.704 1.00 0.00 C +ATOM 51 CA PRO A 51 243.277 239.657 243.566 1.00 0.00 C +ATOM 52 CA GLY A 52 240.480 241.747 245.090 1.00 0.00 C +ATOM 53 CA VAL A 53 239.507 245.071 243.501 1.00 0.00 C +ATOM 54 CA GLN A 54 241.813 247.022 241.179 1.00 0.00 C +ATOM 55 CA PRO A 55 244.381 249.835 241.227 1.00 0.00 C +ATOM 56 CA ARG A 56 248.085 248.961 241.406 1.00 0.00 C +ATOM 57 CA SER A 57 251.851 248.874 241.977 1.00 0.00 C +ATOM 58 CA ALA A 58 254.108 251.336 240.143 1.00 0.00 C +ATOM 59 CA ARG A 59 256.633 249.413 238.036 1.00 0.00 C +ATOM 60 CA HIS A 60 259.037 246.852 239.511 1.00 0.00 C +ATOM 61 CA GLY A 61 262.267 247.666 241.361 1.00 0.00 C +ATOM 62 CA TYR A 62 263.503 249.037 244.694 1.00 0.00 C +ATOM 63 CA ALA A 63 263.559 247.558 248.204 1.00 0.00 C +ATOM 64 CA VAL A 64 264.417 249.475 251.383 1.00 0.00 C +ATOM 65 CA ALA A 65 267.161 251.887 252.465 1.00 0.00 C +ATOM 66 CA ARG A 66 267.709 254.239 255.411 1.00 0.00 C +ATOM 67 CA ARG A 67 267.252 253.308 259.078 1.00 0.00 C +ATOM 68 CA MET A 68 270.099 252.428 261.452 1.00 0.00 C +ATOM 69 CA GLN A 69 268.895 252.229 265.061 1.00 0.00 C +ATOM 70 CA ASN A 70 270.266 253.951 268.170 1.00 0.00 C +ATOM 71 CA GLU A 71 273.506 255.950 268.029 1.00 0.00 C +TER 72 GLU A 71 +END diff --git a/Bacteria/Q0FRG1/Q0FRG1.dcd b/Bacteria/Q0FRG1/Q0FRG1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..49aa55834c3a95528bb4ebccb462633a2946c0ed --- /dev/null +++ b/Bacteria/Q0FRG1/Q0FRG1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3302b8bf6b86e174a7f8f59115908ade2c07583c741692246a843202ec3bd91a +size 7040276 diff --git a/Bacteria/Q0FRG1/top.pdb b/Bacteria/Q0FRG1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..fad29f315bfdd5698688bc3b2dd04959eb80ec9d --- /dev/null +++ b/Bacteria/Q0FRG1/top.pdb @@ -0,0 +1,56 @@ +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 1 263.271 247.046 250.234 1.00 0.00 C +ATOM 2 CA LEU A 2 261.857 247.991 253.643 1.00 0.00 C +ATOM 3 CA ASP A 3 261.687 247.077 257.338 1.00 0.00 C +ATOM 4 CA ALA A 4 261.779 243.547 258.768 1.00 0.00 C +ATOM 5 CA LYS A 5 259.093 240.850 258.590 1.00 0.00 C +ATOM 6 CA HIS A 6 258.216 240.245 254.932 1.00 0.00 C +ATOM 7 CA GLY A 7 257.584 243.351 252.817 1.00 0.00 C +ATOM 8 CA ILE A 8 254.797 243.123 250.229 1.00 0.00 C +ATOM 9 CA SER A 9 254.118 243.209 246.482 1.00 0.00 C +ATOM 10 CA LEU A 10 250.881 245.179 246.083 1.00 0.00 C +ATOM 11 CA ALA A 11 247.483 243.482 246.392 1.00 0.00 C +ATOM 12 CA GLN A 12 244.788 244.631 243.956 1.00 0.00 C +ATOM 13 CA PRO A 13 243.952 245.151 240.275 1.00 0.00 C +ATOM 14 CA GLU A 14 246.868 245.997 237.973 1.00 0.00 C +ATOM 15 CA SER A 15 250.647 246.432 237.765 1.00 0.00 C +ATOM 16 CA ALA A 16 252.534 245.291 234.659 1.00 0.00 C +ATOM 17 CA ALA A 17 252.431 246.222 230.965 1.00 0.00 C +ATOM 18 CA TYR A 18 252.834 248.216 227.744 1.00 0.00 C +ATOM 19 CA PRO A 19 254.784 251.478 227.471 1.00 0.00 C +ATOM 20 CA GLU A 20 255.857 254.022 230.097 1.00 0.00 C +ATOM 21 CA LYS A 21 253.864 256.109 232.584 1.00 0.00 C +ATOM 22 CA PRO A 22 250.854 257.617 230.801 1.00 0.00 C +ATOM 23 CA ARG A 23 247.731 255.449 231.060 1.00 0.00 C +ATOM 24 CA ALA A 24 245.579 256.786 233.906 1.00 0.00 C +ATOM 25 CA ARG A 25 247.800 256.895 236.999 1.00 0.00 C +ATOM 26 CA ARG A 26 249.674 260.158 237.597 1.00 0.00 C +ATOM 27 CA ARG A 27 251.344 261.387 240.794 1.00 0.00 C +ATOM 28 CA ASP A 28 249.021 261.248 243.810 1.00 0.00 C +ATOM 29 CA SER A 29 245.298 261.000 244.585 1.00 0.00 C +ATOM 30 CA GLU A 30 241.505 261.179 244.898 1.00 0.00 C +ATOM 31 CA PRO A 31 238.876 262.627 247.244 1.00 0.00 C +ATOM 32 CA LEU A 32 240.591 264.379 250.160 1.00 0.00 C +ATOM 33 CA ALA A 33 244.001 265.369 251.542 1.00 0.00 C +ATOM 34 CA LEU A 34 245.529 265.939 254.985 1.00 0.00 C +ATOM 35 CA PRO A 35 246.502 265.448 258.636 1.00 0.00 C +ATOM 36 CA ALA A 36 250.017 263.980 258.694 1.00 0.00 C +ATOM 37 CA ARG A 37 252.978 263.158 256.441 1.00 0.00 C +ATOM 38 CA GLY A 38 252.305 260.596 253.702 1.00 0.00 C +ATOM 39 CA THR A 39 249.801 257.763 254.166 1.00 0.00 C +ATOM 40 CA TYR A 40 246.971 255.245 253.753 1.00 0.00 C +ATOM 41 CA GLY A 41 245.904 252.298 255.920 1.00 0.00 C +ATOM 42 CA ASP A 42 246.297 252.337 259.710 1.00 0.00 C +ATOM 43 CA ARG A 43 246.003 249.700 262.443 1.00 0.00 C +ATOM 44 CA ASN A 44 248.136 246.548 262.618 1.00 0.00 C +ATOM 45 CA PRO A 45 250.209 244.290 264.881 1.00 0.00 C +ATOM 46 CA SER A 46 249.255 241.547 267.347 1.00 0.00 C +ATOM 47 CA ALA A 47 247.415 240.050 270.329 1.00 0.00 C +ATOM 48 CA ILE A 48 248.074 236.356 270.989 1.00 0.00 C +ATOM 49 CA GLY A 49 246.686 232.904 271.812 1.00 0.00 C +ATOM 50 CA ALA A 50 246.580 229.122 272.259 1.00 0.00 C +ATOM 51 CA PRO A 51 245.338 225.689 271.169 1.00 0.00 C +ATOM 52 CA SER A 52 244.399 224.288 267.752 1.00 0.00 C +TER 53 SER A 52 +END diff --git a/Bacteria/Q0FV33/Q0FV33.dcd b/Bacteria/Q0FV33/Q0FV33.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f0f08c2afde0209d7b181fae535366f0bd1c7376 --- /dev/null +++ b/Bacteria/Q0FV33/Q0FV33.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d61919101cb87a034db00b1f75190442b00f7729ea4e7d91f1ade8679d4354d2 +size 5360276 diff --git a/Bacteria/Q0FV33/top.pdb b/Bacteria/Q0FV33/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f3f53ba73181005a0d2d01febf0797df2ed14e89 --- /dev/null +++ b/Bacteria/Q0FV33/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 1 249.338 256.340 274.768 1.00 0.00 C +ATOM 2 CA PRO A 2 249.934 253.066 272.913 1.00 0.00 C +ATOM 3 CA PHE A 3 246.958 250.695 272.713 1.00 0.00 C +ATOM 4 CA GLU A 4 245.978 248.963 269.464 1.00 0.00 C +ATOM 5 CA ILE A 5 243.794 245.905 268.835 1.00 0.00 C +ATOM 6 CA GLU A 6 242.960 246.052 265.120 1.00 0.00 C +ATOM 7 CA LEU A 7 241.820 243.163 262.914 1.00 0.00 C +ATOM 8 CA ARG A 8 244.233 240.302 263.627 1.00 0.00 C +ATOM 9 CA VAL A 9 242.840 236.864 262.755 1.00 0.00 C +ATOM 10 CA THR A 10 239.968 237.570 260.353 1.00 0.00 C +ATOM 11 CA GLY A 11 238.403 236.267 257.133 1.00 0.00 C +ATOM 12 CA SER A 12 239.039 235.995 253.386 1.00 0.00 C +ATOM 13 CA ARG A 13 238.718 239.038 251.116 1.00 0.00 C +ATOM 14 CA ASP A 14 236.899 242.149 249.878 1.00 0.00 C +ATOM 15 CA ALA A 15 234.629 244.147 247.560 1.00 0.00 C +ATOM 16 CA PRO A 16 235.293 246.681 244.793 1.00 0.00 C +ATOM 17 CA VAL A 17 235.899 247.203 241.068 1.00 0.00 C +ATOM 18 CA VAL A 18 237.964 245.038 238.709 1.00 0.00 C +ATOM 19 CA GLY A 19 241.487 243.828 239.512 1.00 0.00 C +ATOM 20 CA ASP A 20 244.378 244.946 237.297 1.00 0.00 C +ATOM 21 CA THR A 21 247.573 242.964 236.684 1.00 0.00 C +ATOM 22 CA ALA A 22 250.514 244.531 238.531 1.00 0.00 C +ATOM 23 CA PRO A 23 253.865 245.863 239.761 1.00 0.00 C +ATOM 24 CA THR A 24 254.600 249.077 241.672 1.00 0.00 C +ATOM 25 CA GLY A 25 257.381 249.692 244.202 1.00 0.00 C +ATOM 26 CA PRO A 26 258.661 249.502 247.785 1.00 0.00 C +ATOM 27 CA ARG A 27 256.036 251.253 249.920 1.00 0.00 C +ATOM 28 CA ALA A 28 253.184 253.714 249.348 1.00 0.00 C +ATOM 29 CA ALA A 29 252.942 254.639 245.660 1.00 0.00 C +ATOM 30 CA VAL A 30 256.337 255.907 244.482 1.00 0.00 C +ATOM 31 CA ARG A 31 259.593 256.579 242.623 1.00 0.00 C +ATOM 32 CA GLN A 32 262.074 259.207 241.417 1.00 0.00 C +ATOM 33 CA THR A 33 265.183 260.907 242.817 1.00 0.00 C +ATOM 34 CA LEU A 34 268.457 262.824 243.162 1.00 0.00 C +ATOM 35 CA PRO A 35 270.407 265.974 242.272 1.00 0.00 C +ATOM 36 CA ALA A 36 269.803 269.199 240.335 1.00 0.00 C +ATOM 37 CA ARG A 37 266.835 271.434 239.491 1.00 0.00 C +ATOM 38 CA ALA A 38 266.025 272.520 235.930 1.00 0.00 C +TER 39 ALA A 38 +END diff --git a/Bacteria/Q0FVR9/Q0FVR9.dcd b/Bacteria/Q0FVR9/Q0FVR9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..de8556c2181910fe7956a7815ed00d04dea15392 --- /dev/null +++ b/Bacteria/Q0FVR9/Q0FVR9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9f89777e02cb25c6b7f0425cec243576ab8571091ef16876a32f4f95269a6980 +size 6680276 diff --git a/Bacteria/Q0FVR9/top.pdb b/Bacteria/Q0FVR9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ac8362042e411c4cab8b106dbcbf3b28be5146f2 --- /dev/null +++ b/Bacteria/Q0FVR9/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 MET A 1 240.966 237.902 264.422 1.00 0.00 C +ATOM 2 CA LEU A 2 244.237 236.559 263.003 1.00 0.00 C +ATOM 3 CA PRO A 3 247.468 238.561 262.735 1.00 0.00 C +ATOM 4 CA ASP A 4 248.282 241.763 260.837 1.00 0.00 C +ATOM 5 CA LEU A 5 249.734 241.474 257.327 1.00 0.00 C +ATOM 6 CA LYS A 6 252.336 242.230 254.648 1.00 0.00 C +ATOM 7 CA ARG A 7 254.513 243.210 251.679 1.00 0.00 C +ATOM 8 CA ASN A 8 253.978 246.695 250.236 1.00 0.00 C +ATOM 9 CA SER A 9 256.644 248.520 248.218 1.00 0.00 C +ATOM 10 CA SER A 10 260.193 248.222 249.573 1.00 0.00 C +ATOM 11 CA LEU A 11 262.742 247.555 252.325 1.00 0.00 C +ATOM 12 CA PRO A 12 266.003 245.691 251.687 1.00 0.00 C +ATOM 13 CA ASN A 13 267.887 244.263 254.675 1.00 0.00 C +ATOM 14 CA PRO A 14 271.285 242.949 255.791 1.00 0.00 C +ATOM 15 CA PRO A 15 273.547 240.121 254.606 1.00 0.00 C +ATOM 16 CA THR A 16 274.438 237.737 251.771 1.00 0.00 C +ATOM 17 CA SER A 17 275.375 240.017 248.866 1.00 0.00 C +ATOM 18 CA LYS A 18 277.699 243.011 248.484 1.00 0.00 C +ATOM 19 CA SER A 19 279.054 245.227 245.696 1.00 0.00 C +ATOM 20 CA SER A 20 276.955 247.192 243.195 1.00 0.00 C +ATOM 21 CA PRO A 21 273.349 247.395 244.408 1.00 0.00 C +ATOM 22 CA ALA A 22 270.497 249.816 243.690 1.00 0.00 C +ATOM 23 CA PRO A 23 267.573 247.656 242.547 1.00 0.00 C +ATOM 24 CA PRO A 24 263.837 247.854 241.830 1.00 0.00 C +ATOM 25 CA LYS A 25 261.385 250.770 241.779 1.00 0.00 C +ATOM 26 CA ILE A 26 257.581 250.584 241.681 1.00 0.00 C +ATOM 27 CA VAL A 27 254.751 253.104 242.079 1.00 0.00 C +ATOM 28 CA SER A 28 251.135 254.305 242.109 1.00 0.00 C +ATOM 29 CA LEU A 29 248.839 257.292 241.545 1.00 0.00 C +ATOM 30 CA PRO A 30 246.079 259.761 242.443 1.00 0.00 C +ATOM 31 CA SER A 31 246.890 263.298 243.603 1.00 0.00 C +ATOM 32 CA PRO A 32 246.448 265.669 246.552 1.00 0.00 C +ATOM 33 CA PRO A 33 244.277 268.129 248.489 1.00 0.00 C +ATOM 34 CA MET A 34 240.607 267.481 249.280 1.00 0.00 C +ATOM 35 CA MET A 35 238.824 264.264 250.275 1.00 0.00 C +ATOM 36 CA VAL A 36 236.754 261.535 248.607 1.00 0.00 C +ATOM 37 CA SER A 37 232.991 262.004 248.239 1.00 0.00 C +ATOM 38 CA PHE A 38 230.994 258.832 247.559 1.00 0.00 C +ATOM 39 CA PRO A 39 231.929 256.289 250.237 1.00 0.00 C +ATOM 40 CA ALA A 40 232.886 254.054 253.171 1.00 0.00 C +ATOM 41 CA LEU A 41 235.577 251.762 251.750 1.00 0.00 C +ATOM 42 CA PRO A 42 235.223 250.602 248.138 1.00 0.00 C +ATOM 43 CA ASN A 43 231.739 249.434 247.131 1.00 0.00 C +ATOM 44 CA ARG A 44 227.944 249.405 247.465 1.00 0.00 C +ATOM 45 CA ARG A 45 225.498 248.997 250.358 1.00 0.00 C +ATOM 46 CA SER A 46 224.398 250.214 253.796 1.00 0.00 C +ATOM 47 CA SER A 47 222.279 252.496 255.990 1.00 0.00 C +ATOM 48 CA PRO A 48 219.667 250.249 257.615 1.00 0.00 C +ATOM 49 CA ASP A 49 216.716 247.851 257.863 1.00 0.00 C +TER 50 ASP A 49 +END diff --git a/Bacteria/Q0FVS5/Q0FVS5.dcd b/Bacteria/Q0FVS5/Q0FVS5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..4a133fb85266f733e4e7106091367cf6127015ba --- /dev/null +++ b/Bacteria/Q0FVS5/Q0FVS5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7bf6271e2e8e26a745da124998c4eb74e2789b46b95b9f2098cd87b30767d4dd +size 5240276 diff --git a/Bacteria/Q0FVS5/top.pdb b/Bacteria/Q0FVS5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9fc0686c7c4ab3fcd5bcf2eca217d4e609c18ef3 --- /dev/null +++ b/Bacteria/Q0FVS5/top.pdb @@ -0,0 +1,41 @@ +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 1 271.811 253.798 241.539 1.00 0.00 C +ATOM 2 CA TRP A 2 270.310 250.301 241.726 1.00 0.00 C +ATOM 3 CA PRO A 3 269.513 248.581 238.422 1.00 0.00 C +ATOM 4 CA ILE A 4 266.658 249.404 236.036 1.00 0.00 C +ATOM 5 CA PRO A 5 264.073 252.157 236.539 1.00 0.00 C +ATOM 6 CA ARG A 6 262.920 255.195 238.527 1.00 0.00 C +ATOM 7 CA PRO A 7 264.029 258.697 237.517 1.00 0.00 C +ATOM 8 CA THR A 8 262.245 261.788 236.183 1.00 0.00 C +ATOM 9 CA ARG A 9 258.685 262.323 234.936 1.00 0.00 C +ATOM 10 CA SER A 10 256.477 263.814 237.660 1.00 0.00 C +ATOM 11 CA MET A 11 256.801 263.098 241.388 1.00 0.00 C +ATOM 12 CA MET A 12 258.526 261.875 244.557 1.00 0.00 C +ATOM 13 CA LEU A 13 259.629 262.853 248.071 1.00 0.00 C +ATOM 14 CA PRO A 14 260.909 260.320 250.613 1.00 0.00 C +ATOM 15 CA VAL A 15 258.734 257.223 250.170 1.00 0.00 C +ATOM 16 CA SER A 16 258.291 253.440 250.077 1.00 0.00 C +ATOM 17 CA SER A 17 259.102 250.351 252.154 1.00 0.00 C +ATOM 18 CA ARG A 18 258.959 246.550 251.945 1.00 0.00 C +ATOM 19 CA THR A 19 258.941 243.258 250.026 1.00 0.00 C +ATOM 20 CA PRO A 20 255.397 242.518 248.839 1.00 0.00 C +ATOM 21 CA ARG A 21 252.171 240.533 248.429 1.00 0.00 C +ATOM 22 CA LEU A 22 248.510 240.087 249.383 1.00 0.00 C +ATOM 23 CA PRO A 23 245.129 239.100 250.837 1.00 0.00 C +ATOM 24 CA ASP A 24 243.354 239.864 254.120 1.00 0.00 C +ATOM 25 CA ARG A 25 240.106 239.018 255.923 1.00 0.00 C +ATOM 26 CA TRP A 26 236.779 239.717 257.644 1.00 0.00 C +ATOM 27 CA PRO A 27 234.365 239.807 260.590 1.00 0.00 C +ATOM 28 CA ALA A 28 232.645 238.060 263.507 1.00 0.00 C +ATOM 29 CA THR A 29 228.871 238.485 263.208 1.00 0.00 C +ATOM 30 CA THR A 30 228.382 242.181 262.421 1.00 0.00 C +ATOM 31 CA ALA A 31 229.460 245.083 264.642 1.00 0.00 C +ATOM 32 CA THR A 32 228.749 248.817 264.906 1.00 0.00 C +ATOM 33 CA ARG A 33 228.992 251.362 262.082 1.00 0.00 C +ATOM 34 CA THR A 34 230.307 251.640 258.516 1.00 0.00 C +ATOM 35 CA ALA A 35 233.751 251.618 256.888 1.00 0.00 C +ATOM 36 CA THR A 36 236.644 253.934 256.003 1.00 0.00 C +ATOM 37 CA ALA A 37 239.773 253.153 253.975 1.00 0.00 C +TER 38 ALA A 37 +END diff --git a/Bacteria/Q0FVS9/Q0FVS9.dcd b/Bacteria/Q0FVS9/Q0FVS9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..cf7e321951290d29b1ac716b68824d410e822199 --- /dev/null +++ b/Bacteria/Q0FVS9/Q0FVS9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:507beb415dde2e95f779acce86d8b781a89559d28a390eb51431132ee38c28b8 +size 7640276 diff --git a/Bacteria/Q0FVS9/top.pdb b/Bacteria/Q0FVS9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..37a2ecd6a483238d0ce16698570d262ccf088e35 --- /dev/null +++ b/Bacteria/Q0FVS9/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 1 249.707 237.684 260.378 1.00 0.00 C +ATOM 2 CA ALA A 2 246.495 238.669 262.175 1.00 0.00 C +ATOM 3 CA THR A 3 243.050 238.906 263.784 1.00 0.00 C +ATOM 4 CA ARG A 4 242.766 242.565 264.807 1.00 0.00 C +ATOM 5 CA SER A 5 244.728 245.645 265.894 1.00 0.00 C +ATOM 6 CA ALA A 6 246.038 248.830 264.264 1.00 0.00 C +ATOM 7 CA TRP A 7 249.223 248.719 262.177 1.00 0.00 C +ATOM 8 CA PRO A 8 252.409 250.786 262.483 1.00 0.00 C +ATOM 9 CA ARG A 9 255.289 248.295 262.365 1.00 0.00 C +ATOM 10 CA PRO A 10 255.361 244.933 260.573 1.00 0.00 C +ATOM 11 CA PRO A 11 256.010 241.709 258.650 1.00 0.00 C +ATOM 12 CA MET A 12 258.080 242.185 255.486 1.00 0.00 C +ATOM 13 CA ALA A 13 256.736 242.572 251.942 1.00 0.00 C +ATOM 14 CA ALA A 14 255.970 242.436 248.213 1.00 0.00 C +ATOM 15 CA THR A 15 253.469 242.029 245.368 1.00 0.00 C +ATOM 16 CA ALA A 16 249.750 241.325 245.805 1.00 0.00 C +ATOM 17 CA PRO A 17 246.817 240.754 243.442 1.00 0.00 C +ATOM 18 CA GLN A 18 245.155 240.010 240.094 1.00 0.00 C +ATOM 19 CA PRO A 19 241.389 239.796 239.557 1.00 0.00 C +ATOM 20 CA SER A 20 240.392 241.249 236.180 1.00 0.00 C +ATOM 21 CA ARG A 21 237.121 243.147 236.648 1.00 0.00 C +ATOM 22 CA PRO A 22 234.934 246.267 236.638 1.00 0.00 C +ATOM 23 CA MET A 23 234.088 246.811 240.313 1.00 0.00 C +ATOM 24 CA ALA A 24 234.917 250.453 241.066 1.00 0.00 C +ATOM 25 CA PRO A 25 238.680 250.794 241.556 1.00 0.00 C +ATOM 26 CA SER A 26 240.248 249.049 238.554 1.00 0.00 C +ATOM 27 CA PRO A 27 243.836 248.734 237.312 1.00 0.00 C +ATOM 28 CA THR A 28 244.768 246.026 234.799 1.00 0.00 C +ATOM 29 CA PRO A 29 247.838 243.771 234.733 1.00 0.00 C +ATOM 30 CA PRO A 30 251.528 244.704 234.560 1.00 0.00 C +ATOM 31 CA THR A 31 253.415 246.105 237.559 1.00 0.00 C +ATOM 32 CA PRO A 32 253.119 249.619 239.002 1.00 0.00 C +ATOM 33 CA ILE A 33 255.458 250.628 241.836 1.00 0.00 C +ATOM 34 CA SER A 34 255.281 254.428 242.061 1.00 0.00 C +ATOM 35 CA THR A 35 254.865 257.163 244.681 1.00 0.00 C +ATOM 36 CA ALA A 36 254.795 255.923 248.283 1.00 0.00 C +ATOM 37 CA PRO A 37 257.757 255.484 250.638 1.00 0.00 C +ATOM 38 CA THR A 38 260.820 254.218 252.517 1.00 0.00 C +ATOM 39 CA ALA A 39 261.408 252.055 255.597 1.00 0.00 C +ATOM 40 CA SER A 40 259.774 248.627 255.902 1.00 0.00 C +ATOM 41 CA PRO A 41 256.180 248.502 254.642 1.00 0.00 C +ATOM 42 CA ILE A 42 254.012 248.203 251.523 1.00 0.00 C +ATOM 43 CA ARG A 43 250.883 247.559 249.447 1.00 0.00 C +ATOM 44 CA SER A 44 247.954 249.985 249.219 1.00 0.00 C +ATOM 45 CA ALA A 45 246.500 252.497 251.687 1.00 0.00 C +ATOM 46 CA THR A 46 246.546 252.272 255.490 1.00 0.00 C +ATOM 47 CA ALA A 47 245.257 253.876 258.697 1.00 0.00 C +ATOM 48 CA MET A 48 246.545 257.446 259.031 1.00 0.00 C +ATOM 49 CA ALA A 49 244.690 260.735 259.536 1.00 0.00 C +ATOM 50 CA ALA A 50 247.241 263.508 258.969 1.00 0.00 C +ATOM 51 CA PRO A 51 248.925 265.282 256.048 1.00 0.00 C +ATOM 52 CA THR A 52 252.206 266.746 254.782 1.00 0.00 C +ATOM 53 CA PRO A 53 254.596 263.849 254.138 1.00 0.00 C +ATOM 54 CA PRO A 54 258.339 264.084 253.468 1.00 0.00 C +ATOM 55 CA ARG A 55 260.355 264.948 250.353 1.00 0.00 C +ATOM 56 CA SER A 56 262.868 267.006 248.361 1.00 0.00 C +ATOM 57 CA LEU A 57 263.416 270.400 246.720 1.00 0.00 C +TER 58 LEU A 57 +END diff --git a/Bacteria/Q0FVT7/Q0FVT7.dcd b/Bacteria/Q0FVT7/Q0FVT7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e881e7078207b24c7716b373428e907d8ced8212 --- /dev/null +++ b/Bacteria/Q0FVT7/Q0FVT7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cdb5b076bdaa067c0ed996294cd6717bf286664db72d57af331cbf4680162809 +size 6560276 diff --git a/Bacteria/Q0FVT7/top.pdb b/Bacteria/Q0FVT7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a7e39f8672bb8148c8fe651c65e13309be265f28 --- /dev/null +++ b/Bacteria/Q0FVT7/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 1 265.521 251.247 246.332 1.00 0.00 C +ATOM 2 CA THR A 2 268.296 252.817 248.418 1.00 0.00 C +ATOM 3 CA ALA A 3 270.281 255.196 250.635 1.00 0.00 C +ATOM 4 CA THR A 4 271.803 258.434 251.944 1.00 0.00 C +ATOM 5 CA TRP A 5 274.137 260.996 253.528 1.00 0.00 C +ATOM 6 CA THR A 6 273.210 261.710 257.154 1.00 0.00 C +ATOM 7 CA ALA A 7 270.273 259.520 258.201 1.00 0.00 C +ATOM 8 CA THR A 8 268.737 256.720 260.278 1.00 0.00 C +ATOM 9 CA ARG A 9 268.073 256.262 264.002 1.00 0.00 C +ATOM 10 CA SER A 10 265.676 258.285 266.165 1.00 0.00 C +ATOM 11 CA ALA A 11 261.992 258.877 266.931 1.00 0.00 C +ATOM 12 CA TRP A 12 259.718 256.655 264.832 1.00 0.00 C +ATOM 13 CA PRO A 13 256.087 257.334 263.898 1.00 0.00 C +ATOM 14 CA ARG A 14 252.527 257.700 262.591 1.00 0.00 C +ATOM 15 CA GLN A 15 251.579 261.270 261.659 1.00 0.00 C +ATOM 16 CA ARG A 16 251.180 263.939 264.349 1.00 0.00 C +ATOM 17 CA MET A 17 247.475 264.196 265.199 1.00 0.00 C +ATOM 18 CA ALA A 18 245.614 261.208 266.654 1.00 0.00 C +ATOM 19 CA ALA A 19 247.716 259.068 269.003 1.00 0.00 C +ATOM 20 CA THR A 20 245.462 256.312 270.362 1.00 0.00 C +ATOM 21 CA ALA A 21 243.915 254.660 267.297 1.00 0.00 C +ATOM 22 CA PRO A 22 241.047 252.470 268.519 1.00 0.00 C +ATOM 23 CA PRO A 23 238.426 249.947 267.386 1.00 0.00 C +ATOM 24 CA PRO A 24 236.248 251.748 264.830 1.00 0.00 C +ATOM 25 CA SER A 25 236.956 251.980 261.094 1.00 0.00 C +ATOM 26 CA ARG A 26 238.028 250.824 257.626 1.00 0.00 C +ATOM 27 CA PRO A 27 237.812 247.129 256.720 1.00 0.00 C +ATOM 28 CA THR A 28 237.257 243.473 255.802 1.00 0.00 C +ATOM 29 CA ALA A 29 236.361 242.493 252.231 1.00 0.00 C +ATOM 30 CA PRO A 30 234.984 241.830 248.741 1.00 0.00 C +ATOM 31 CA SER A 31 236.399 241.014 245.299 1.00 0.00 C +ATOM 32 CA PRO A 32 237.923 237.587 244.627 1.00 0.00 C +ATOM 33 CA THR A 33 240.985 237.883 242.380 1.00 0.00 C +ATOM 34 CA PRO A 34 241.229 241.458 241.083 1.00 0.00 C +ATOM 35 CA ARG A 35 243.030 244.502 239.667 1.00 0.00 C +ATOM 36 CA MET A 36 242.172 246.578 236.590 1.00 0.00 C +ATOM 37 CA PRO A 37 244.490 246.477 233.568 1.00 0.00 C +ATOM 38 CA ALA A 38 248.216 247.273 233.546 1.00 0.00 C +ATOM 39 CA SER A 39 250.972 245.201 235.167 1.00 0.00 C +ATOM 40 CA LEU A 40 252.284 242.149 233.301 1.00 0.00 C +ATOM 41 CA ALA A 41 252.782 238.459 232.491 1.00 0.00 C +ATOM 42 CA PRO A 42 251.714 237.670 228.920 1.00 0.00 C +ATOM 43 CA THR A 43 249.675 239.878 226.578 1.00 0.00 C +ATOM 44 CA ALA A 44 248.036 242.248 224.085 1.00 0.00 C +ATOM 45 CA SER A 45 245.074 240.460 222.490 1.00 0.00 C +ATOM 46 CA PRO A 46 242.782 237.618 221.401 1.00 0.00 C +ATOM 47 CA THR A 47 239.216 238.446 222.457 1.00 0.00 C +ATOM 48 CA ARG A 48 236.631 240.800 223.972 1.00 0.00 C +TER 49 ARG A 48 +END diff --git a/Bacteria/Q0FVU6/Q0FVU6.dcd b/Bacteria/Q0FVU6/Q0FVU6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..5d104917899bb11e707071790695f5d23815bb23 --- /dev/null +++ b/Bacteria/Q0FVU6/Q0FVU6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:67833e819b2ec880beb45db1ba8efe91095214020432588ec5e62d400a4788a4 +size 5720276 diff --git a/Bacteria/Q0FVU6/top.pdb b/Bacteria/Q0FVU6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..84cce4f865125606f3dad1928a157328f8b987d5 --- /dev/null +++ b/Bacteria/Q0FVU6/top.pdb @@ -0,0 +1,45 @@ +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 1 241.757 254.224 259.223 1.00 0.00 C +ATOM 2 CA VAL A 2 245.006 256.068 258.477 1.00 0.00 C +ATOM 3 CA SER A 3 245.516 257.310 254.911 1.00 0.00 C +ATOM 4 CA LEU A 4 247.124 259.578 252.306 1.00 0.00 C +ATOM 5 CA ARG A 5 245.074 262.396 250.765 1.00 0.00 C +ATOM 6 CA ILE A 6 241.827 260.867 249.488 1.00 0.00 C +ATOM 7 CA VAL A 7 241.598 257.095 249.977 1.00 0.00 C +ATOM 8 CA PRO A 8 238.158 255.604 250.654 1.00 0.00 C +ATOM 9 CA THR A 9 236.870 253.999 247.448 1.00 0.00 C +ATOM 10 CA ARG A 10 237.970 250.608 246.103 1.00 0.00 C +ATOM 11 CA LEU A 11 241.557 249.426 246.604 1.00 0.00 C +ATOM 12 CA SER A 12 244.504 248.285 248.733 1.00 0.00 C +ATOM 13 CA SER A 13 247.313 247.268 251.098 1.00 0.00 C +ATOM 14 CA PRO A 14 250.646 247.827 252.856 1.00 0.00 C +ATOM 15 CA GLY A 15 252.270 251.273 252.918 1.00 0.00 C +ATOM 16 CA GLU A 16 253.566 253.913 255.340 1.00 0.00 C +ATOM 17 CA PRO A 17 256.647 255.623 253.892 1.00 0.00 C +ATOM 18 CA VAL A 18 260.187 254.287 254.341 1.00 0.00 C +ATOM 19 CA THR A 19 262.462 257.338 254.158 1.00 0.00 C +ATOM 20 CA SER A 20 263.934 259.905 251.758 1.00 0.00 C +ATOM 21 CA ASP A 21 264.633 260.237 248.028 1.00 0.00 C +ATOM 22 CA PRO A 22 263.476 258.439 244.875 1.00 0.00 C +ATOM 23 CA VAL A 23 260.138 260.048 243.988 1.00 0.00 C +ATOM 24 CA SER A 24 256.758 260.020 242.229 1.00 0.00 C +ATOM 25 CA PRO A 25 253.453 260.281 240.351 1.00 0.00 C +ATOM 26 CA LEU A 26 253.548 257.368 237.897 1.00 0.00 C +ATOM 27 CA ALA A 27 252.784 253.636 237.929 1.00 0.00 C +ATOM 28 CA THR A 28 254.788 251.118 239.968 1.00 0.00 C +ATOM 29 CA THR A 29 252.850 248.011 241.021 1.00 0.00 C +ATOM 30 CA THR A 30 253.120 244.601 242.699 1.00 0.00 C +ATOM 31 CA SER A 31 252.857 244.051 246.460 1.00 0.00 C +ATOM 32 CA PRO A 32 255.928 242.052 247.503 1.00 0.00 C +ATOM 33 CA SER A 33 254.879 238.504 248.410 1.00 0.00 C +ATOM 34 CA ALA A 34 252.539 235.522 248.014 1.00 0.00 C +ATOM 35 CA LYS A 35 248.925 235.646 249.215 1.00 0.00 C +ATOM 36 CA ARG A 36 247.533 233.715 252.189 1.00 0.00 C +ATOM 37 CA ARG A 37 248.004 236.079 255.140 1.00 0.00 C +ATOM 38 CA ARG A 38 245.949 236.206 258.345 1.00 0.00 C +ATOM 39 CA SER A 39 244.327 233.534 260.524 1.00 0.00 C +ATOM 40 CA THR A 40 241.442 234.581 262.782 1.00 0.00 C +ATOM 41 CA LEU A 41 238.080 233.457 261.386 1.00 0.00 C +TER 42 LEU A 41 +END diff --git a/Bacteria/Q0FVU8/Q0FVU8.dcd b/Bacteria/Q0FVU8/Q0FVU8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..2c3f891ffe800c74768ae0f496495b6b5b4a0787 --- /dev/null +++ b/Bacteria/Q0FVU8/Q0FVU8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6eb9113d4992cdf111d3b5ac68197667c127dae152d1a8e0cad98b4f4906191f +size 10880276 diff --git a/Bacteria/Q0FVU8/top.pdb b/Bacteria/Q0FVU8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..bb78c4704b2e8412e2d9df2f376b21c57f7dd561 --- /dev/null +++ b/Bacteria/Q0FVU8/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 MET A 1 220.739 198.228 247.530 1.00 0.00 C +ATOM 2 CA THR A 2 220.496 201.624 245.820 1.00 0.00 C +ATOM 3 CA ILE A 3 223.831 203.366 245.219 1.00 0.00 C +ATOM 4 CA SER A 4 226.878 205.307 246.428 1.00 0.00 C +ATOM 5 CA ALA A 5 228.810 208.066 244.648 1.00 0.00 C +ATOM 6 CA PRO A 6 232.111 209.068 243.032 1.00 0.00 C +ATOM 7 CA SER A 7 233.611 209.292 239.536 1.00 0.00 C +ATOM 8 CA PRO A 8 230.725 208.349 237.234 1.00 0.00 C +ATOM 9 CA PRO A 9 229.850 211.025 234.666 1.00 0.00 C +ATOM 10 CA GLU A 10 230.677 214.648 233.828 1.00 0.00 C +ATOM 11 CA ILE A 11 230.755 218.171 235.276 1.00 0.00 C +ATOM 12 CA GLU A 12 228.641 218.694 238.402 1.00 0.00 C +ATOM 13 CA SER A 13 230.891 220.398 240.962 1.00 0.00 C +ATOM 14 CA ALA A 14 234.355 221.981 240.857 1.00 0.00 C +ATOM 15 CA SER A 15 236.819 220.144 238.606 1.00 0.00 C +ATOM 16 CA SER A 16 238.461 219.757 235.190 1.00 0.00 C +ATOM 17 CA SER A 17 239.153 222.924 233.187 1.00 0.00 C +ATOM 18 CA PRO A 18 235.994 224.658 231.951 1.00 0.00 C +ATOM 19 CA LEU A 19 234.615 226.272 228.788 1.00 0.00 C +ATOM 20 CA ILE A 20 232.515 224.433 226.195 1.00 0.00 C +ATOM 21 CA GLU A 21 228.813 225.253 225.829 1.00 0.00 C +ATOM 22 CA SER A 22 225.926 223.166 227.182 1.00 0.00 C +ATOM 23 CA LEU A 23 226.293 221.859 230.741 1.00 0.00 C +ATOM 24 CA PRO A 24 224.826 223.327 233.936 1.00 0.00 C +ATOM 25 CA ALA A 25 223.630 226.139 236.212 1.00 0.00 C +ATOM 26 CA ARG A 26 223.699 229.908 236.763 1.00 0.00 C +ATOM 27 CA PRO A 27 226.318 231.056 239.281 1.00 0.00 C +ATOM 28 CA PHE A 28 229.953 231.676 238.324 1.00 0.00 C +ATOM 29 CA THR A 29 230.005 235.131 236.719 1.00 0.00 C +ATOM 30 CA VAL A 30 229.248 238.499 235.105 1.00 0.00 C +ATOM 31 CA SER A 31 228.911 242.254 235.652 1.00 0.00 C +ATOM 32 CA SER A 32 231.926 244.464 234.914 1.00 0.00 C +ATOM 33 CA PRO A 33 235.061 242.298 234.896 1.00 0.00 C +ATOM 34 CA ALA A 34 236.931 239.732 237.002 1.00 0.00 C +ATOM 35 CA SER A 35 238.824 239.697 240.308 1.00 0.00 C +ATOM 36 CA ALA A 36 237.511 241.860 243.157 1.00 0.00 C +ATOM 37 CA SER A 37 235.472 244.486 245.017 1.00 0.00 C +ATOM 38 CA MET A 38 232.911 246.173 247.278 1.00 0.00 C +ATOM 39 CA GLU A 39 234.849 248.282 249.790 1.00 0.00 C +ATOM 40 CA SER A 40 237.659 249.003 252.261 1.00 0.00 C +ATOM 41 CA SER A 41 238.944 250.192 255.645 1.00 0.00 C +ATOM 42 CA PRO A 42 238.635 251.756 259.105 1.00 0.00 C +ATOM 43 CA ALA A 43 236.752 254.211 261.328 1.00 0.00 C +ATOM 44 CA VAL A 44 239.013 257.250 261.739 1.00 0.00 C +ATOM 45 CA PRO A 45 242.688 258.087 262.294 1.00 0.00 C +ATOM 46 CA SER A 46 244.302 254.902 263.625 1.00 0.00 C +ATOM 47 CA ARG A 47 243.512 254.113 267.267 1.00 0.00 C +ATOM 48 CA LEU A 48 245.277 253.432 270.574 1.00 0.00 C +ATOM 49 CA SER A 49 242.822 254.344 273.342 1.00 0.00 C +ATOM 50 CA ALA A 50 243.390 257.924 274.514 1.00 0.00 C +ATOM 51 CA PRO A 51 246.838 259.471 274.034 1.00 0.00 C +ATOM 52 CA GLY A 52 247.017 263.168 273.130 1.00 0.00 C +ATOM 53 CA VAL A 53 246.787 266.764 271.892 1.00 0.00 C +ATOM 54 CA PRO A 54 247.594 270.431 272.538 1.00 0.00 C +ATOM 55 CA VAL A 55 250.805 271.819 274.049 1.00 0.00 C +ATOM 56 CA THR A 56 253.887 273.735 275.208 1.00 0.00 C +ATOM 57 CA MET A 57 257.051 274.297 273.162 1.00 0.00 C +ATOM 58 CA VAL A 58 259.927 274.410 270.665 1.00 0.00 C +ATOM 59 CA PRO A 59 261.780 276.044 267.764 1.00 0.00 C +ATOM 60 CA SER A 60 260.414 279.575 267.338 1.00 0.00 C +ATOM 61 CA VAL A 61 260.295 282.669 265.118 1.00 0.00 C +ATOM 62 CA ARG A 62 260.931 286.069 266.716 1.00 0.00 C +ATOM 63 CA PRO A 63 263.421 288.267 264.849 1.00 0.00 C +ATOM 64 CA ASP A 64 266.351 287.518 262.532 1.00 0.00 C +ATOM 65 CA THR A 65 267.932 285.524 259.696 1.00 0.00 C +ATOM 66 CA ALA A 66 269.374 286.941 256.467 1.00 0.00 C +ATOM 67 CA THR A 67 273.182 287.004 256.352 1.00 0.00 C +ATOM 68 CA SER A 68 274.426 284.610 253.662 1.00 0.00 C +ATOM 69 CA PRO A 69 273.812 282.154 250.815 1.00 0.00 C +ATOM 70 CA SER A 70 276.020 279.050 250.866 1.00 0.00 C +ATOM 71 CA PRO A 71 276.757 276.128 253.198 1.00 0.00 C +ATOM 72 CA LYS A 72 280.205 274.766 254.077 1.00 0.00 C +ATOM 73 CA ARG A 73 283.935 275.540 253.991 1.00 0.00 C +ATOM 74 CA ARG A 74 286.713 274.118 251.806 1.00 0.00 C +ATOM 75 CA VAL A 75 288.043 274.249 248.238 1.00 0.00 C +ATOM 76 CA SER A 76 290.759 276.172 246.382 1.00 0.00 C +ATOM 77 CA THR A 77 294.235 276.045 247.937 1.00 0.00 C +ATOM 78 CA PHE A 78 297.773 277.458 247.999 1.00 0.00 C +ATOM 79 CA GLU A 79 298.494 280.705 249.857 1.00 0.00 C +ATOM 80 CA THR A 80 301.584 280.599 252.083 1.00 0.00 C +ATOM 81 CA VAL A 81 304.382 282.655 250.515 1.00 0.00 C +ATOM 82 CA SER A 82 307.606 281.571 252.233 1.00 0.00 C +ATOM 83 CA SER A 83 308.852 277.972 252.340 1.00 0.00 C +ATOM 84 CA PRO A 84 308.794 275.621 255.337 1.00 0.00 C +TER 85 PRO A 84 +END diff --git a/Bacteria/Q0FVU9/Q0FVU9.dcd b/Bacteria/Q0FVU9/Q0FVU9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..78747cd95538c0828821025f30275606ea4444a8 --- /dev/null +++ b/Bacteria/Q0FVU9/Q0FVU9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:31adc4a6abfc184b536d92a3423a94aa73113f2a2bf6a0f0ccd96af22329feca +size 7280276 diff --git a/Bacteria/Q0FVU9/top.pdb b/Bacteria/Q0FVU9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d6b07878b726c0fa0f6c98dbf51a956cac52df6a --- /dev/null +++ b/Bacteria/Q0FVU9/top.pdb @@ -0,0 +1,58 @@ +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 1 258.543 264.973 253.984 1.00 0.00 C +ATOM 2 CA THR A 2 258.952 268.755 253.772 1.00 0.00 C +ATOM 3 CA LEU A 3 260.347 269.989 250.449 1.00 0.00 C +ATOM 4 CA HIS A 4 259.922 273.532 249.113 1.00 0.00 C +ATOM 5 CA SER A 5 257.113 275.117 247.084 1.00 0.00 C +ATOM 6 CA SER A 6 255.148 275.696 243.871 1.00 0.00 C +ATOM 7 CA PRO A 7 254.308 274.777 240.271 1.00 0.00 C +ATOM 8 CA GLU A 8 255.884 273.593 237.010 1.00 0.00 C +ATOM 9 CA THR A 9 255.468 269.926 236.065 1.00 0.00 C +ATOM 10 CA GLY A 10 255.258 266.176 236.707 1.00 0.00 C +ATOM 11 CA PRO A 11 258.294 264.306 235.363 1.00 0.00 C +ATOM 12 CA THR A 12 258.747 260.664 234.341 1.00 0.00 C +ATOM 13 CA THR A 13 261.542 258.097 234.688 1.00 0.00 C +ATOM 14 CA SER A 14 265.175 257.954 235.828 1.00 0.00 C +ATOM 15 CA SER A 15 265.977 254.564 237.370 1.00 0.00 C +ATOM 16 CA SER A 16 264.921 251.777 234.996 1.00 0.00 C +ATOM 17 CA THR A 17 261.496 250.121 234.792 1.00 0.00 C +ATOM 18 CA MET A 18 259.624 246.868 235.449 1.00 0.00 C +ATOM 19 CA ALA A 19 257.488 245.176 232.787 1.00 0.00 C +ATOM 20 CA ALA A 20 259.047 241.968 231.448 1.00 0.00 C +ATOM 21 CA ALA A 21 258.102 239.035 233.689 1.00 0.00 C +ATOM 22 CA PRO A 22 254.626 238.598 235.184 1.00 0.00 C +ATOM 23 CA SER A 23 252.053 238.907 237.978 1.00 0.00 C +ATOM 24 CA GLY A 24 248.976 238.599 240.203 1.00 0.00 C +ATOM 25 CA SER A 25 248.728 236.249 243.192 1.00 0.00 C +ATOM 26 CA SER A 26 246.248 233.448 243.912 1.00 0.00 C +ATOM 27 CA THR A 27 244.005 232.763 240.909 1.00 0.00 C +ATOM 28 CA ALA A 28 240.616 233.743 239.470 1.00 0.00 C +ATOM 29 CA PRO A 29 237.125 235.235 239.149 1.00 0.00 C +ATOM 30 CA GLU A 30 237.101 238.033 236.564 1.00 0.00 C +ATOM 31 CA PRO A 31 239.846 240.539 237.403 1.00 0.00 C +ATOM 32 CA THR A 32 242.690 241.712 239.650 1.00 0.00 C +ATOM 33 CA ALA A 33 242.167 243.120 243.151 1.00 0.00 C +ATOM 34 CA THR A 34 244.950 244.283 245.480 1.00 0.00 C +ATOM 35 CA THR A 35 243.867 245.126 249.034 1.00 0.00 C +ATOM 36 CA ARG A 36 242.482 246.386 252.352 1.00 0.00 C +ATOM 37 CA SER A 37 244.017 245.484 255.721 1.00 0.00 C +ATOM 38 CA ARG A 38 242.136 244.110 258.736 1.00 0.00 C +ATOM 39 CA MET A 39 241.018 244.018 262.378 1.00 0.00 C +ATOM 40 CA SER A 40 238.179 242.649 264.518 1.00 0.00 C +ATOM 41 CA ARG A 41 234.743 243.527 265.911 1.00 0.00 C +ATOM 42 CA PRO A 42 233.018 246.919 266.095 1.00 0.00 C +ATOM 43 CA CYS A 43 235.806 249.491 265.738 1.00 0.00 C +ATOM 44 CA VAL A 44 239.472 249.339 266.765 1.00 0.00 C +ATOM 45 CA SER A 45 240.189 250.790 270.214 1.00 0.00 C +ATOM 46 CA ALA A 46 238.866 248.717 273.123 1.00 0.00 C +ATOM 47 CA MET A 47 240.058 245.805 275.271 1.00 0.00 C +ATOM 48 CA ALA A 48 242.826 243.213 274.901 1.00 0.00 C +ATOM 49 CA MET A 49 246.121 245.120 274.741 1.00 0.00 C +ATOM 50 CA SER A 50 249.885 244.879 274.200 1.00 0.00 C +ATOM 51 CA PRO A 51 252.435 246.007 276.797 1.00 0.00 C +ATOM 52 CA CYS A 52 255.741 244.471 275.689 1.00 0.00 C +ATOM 53 CA ARG A 53 258.119 246.367 273.394 1.00 0.00 C +ATOM 54 CA ALA A 54 260.538 249.296 273.101 1.00 0.00 C +TER 55 ALA A 54 +END diff --git a/Bacteria/Q0FVW4/Q0FVW4.dcd b/Bacteria/Q0FVW4/Q0FVW4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8b5393aa53c98395bb7857d7b802eefb82edd504 --- /dev/null +++ b/Bacteria/Q0FVW4/Q0FVW4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7ac1019471ece9d962112297638d94e49437d1db9905e86ee0d2b98c5bc74872 +size 6440276 diff --git a/Bacteria/Q0FVW4/top.pdb b/Bacteria/Q0FVW4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3a95361162e42aaa38d2a625926a121912a61cc4 --- /dev/null +++ b/Bacteria/Q0FVW4/top.pdb @@ -0,0 +1,51 @@ +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 1 233.537 239.045 239.037 1.00 0.00 C +ATOM 2 CA LEU A 2 230.767 241.638 238.694 1.00 0.00 C +ATOM 3 CA THR A 3 230.518 244.724 236.474 1.00 0.00 C +ATOM 4 CA LYS A 4 230.970 246.285 233.028 1.00 0.00 C +ATOM 5 CA PRO A 5 233.102 244.754 230.266 1.00 0.00 C +ATOM 6 CA SER A 6 235.666 247.082 228.678 1.00 0.00 C +ATOM 7 CA ALA A 7 238.160 249.387 226.951 1.00 0.00 C +ATOM 8 CA ALA A 8 241.794 249.145 228.071 1.00 0.00 C +ATOM 9 CA THR A 9 245.004 250.766 229.327 1.00 0.00 C +ATOM 10 CA SER A 10 246.034 254.171 227.960 1.00 0.00 C +ATOM 11 CA ASP A 11 248.271 255.896 230.517 1.00 0.00 C +ATOM 12 CA SER A 12 248.924 257.646 233.837 1.00 0.00 C +ATOM 13 CA GLU A 13 249.878 260.180 236.518 1.00 0.00 C +ATOM 14 CA ASN A 14 253.087 260.490 238.549 1.00 0.00 C +ATOM 15 CA ARG A 15 256.224 262.020 240.078 1.00 0.00 C +ATOM 16 CA SER A 16 256.910 264.510 242.879 1.00 0.00 C +ATOM 17 CA SER A 17 256.394 262.562 246.113 1.00 0.00 C +ATOM 18 CA SER A 18 255.720 259.065 247.469 1.00 0.00 C +ATOM 19 CA LEU A 19 258.396 257.096 249.333 1.00 0.00 C +ATOM 20 CA GLY A 20 260.901 254.230 249.505 1.00 0.00 C +ATOM 21 CA SER A 21 262.452 250.750 249.511 1.00 0.00 C +ATOM 22 CA ARG A 22 264.815 250.457 252.485 1.00 0.00 C +ATOM 23 CA ARG A 23 264.760 253.512 254.760 1.00 0.00 C +ATOM 24 CA ASN A 24 263.489 256.438 256.843 1.00 0.00 C +ATOM 25 CA HIS A 25 261.731 259.595 258.051 1.00 0.00 C +ATOM 26 CA ALA A 26 259.164 260.476 255.377 1.00 0.00 C +ATOM 27 CA THR A 27 255.526 261.095 254.431 1.00 0.00 C +ATOM 28 CA GLY A 28 251.903 259.931 254.240 1.00 0.00 C +ATOM 29 CA ARG A 29 248.328 259.556 255.503 1.00 0.00 C +ATOM 30 CA LEU A 30 246.463 257.567 252.842 1.00 0.00 C +ATOM 31 CA ALA A 31 248.645 254.525 252.140 1.00 0.00 C +ATOM 32 CA SER A 32 249.430 253.045 255.562 1.00 0.00 C +ATOM 33 CA MET A 33 248.447 249.750 257.203 1.00 0.00 C +ATOM 34 CA THR A 34 246.808 246.760 258.903 1.00 0.00 C +ATOM 35 CA SER A 35 244.408 248.204 261.485 1.00 0.00 C +ATOM 36 CA SER A 36 245.197 251.202 263.701 1.00 0.00 C +ATOM 37 CA ARG A 37 247.731 249.998 266.279 1.00 0.00 C +ATOM 38 CA ALA A 38 250.928 248.428 264.927 1.00 0.00 C +ATOM 39 CA GLY A 39 253.820 246.602 263.248 1.00 0.00 C +ATOM 40 CA ARG A 40 254.930 243.076 262.326 1.00 0.00 C +ATOM 41 CA ILE A 41 254.116 240.857 265.314 1.00 0.00 C +ATOM 42 CA ARG A 42 251.402 238.238 265.853 1.00 0.00 C +ATOM 43 CA ARG A 43 249.863 235.485 267.991 1.00 0.00 C +ATOM 44 CA ALA A 44 250.813 231.966 266.880 1.00 0.00 C +ATOM 45 CA ARG A 45 253.432 229.602 265.441 1.00 0.00 C +ATOM 46 CA ARG A 46 255.803 227.975 267.940 1.00 0.00 C +ATOM 47 CA ARG A 47 255.339 224.221 267.479 1.00 0.00 C +TER 48 ARG A 47 +END diff --git a/Bacteria/Q0FVX0/Q0FVX0.dcd b/Bacteria/Q0FVX0/Q0FVX0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..51f5cb1555d61b0ce1e25de34559b1b98533f22a --- /dev/null +++ b/Bacteria/Q0FVX0/Q0FVX0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4b1c7a46f1b552ce56cb9f5455959ff97569294b850b6b4066f4e48e7d8af6d1 +size 5000276 diff --git a/Bacteria/Q0FVX0/top.pdb b/Bacteria/Q0FVX0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4bfadb4449d55cb71616411bfb45798dfb515f67 --- /dev/null +++ b/Bacteria/Q0FVX0/top.pdb @@ -0,0 +1,39 @@ +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 1 253.679 252.954 283.119 1.00 0.00 C +ATOM 2 CA LYS A 2 255.521 254.513 280.171 1.00 0.00 C +ATOM 3 CA ALA A 3 256.652 254.609 276.534 1.00 0.00 C +ATOM 4 CA ARG A 4 255.795 257.658 274.416 1.00 0.00 C +ATOM 5 CA ALA A 5 255.604 256.804 270.708 1.00 0.00 C +ATOM 6 CA VAL A 6 254.361 253.925 268.544 1.00 0.00 C +ATOM 7 CA ALA A 7 253.092 250.778 266.811 1.00 0.00 C +ATOM 8 CA PHE A 8 253.415 247.494 264.906 1.00 0.00 C +ATOM 9 CA ALA A 9 255.380 245.232 262.553 1.00 0.00 C +ATOM 10 CA LEU A 10 258.549 245.061 260.445 1.00 0.00 C +ATOM 11 CA HIS A 11 258.019 243.870 256.866 1.00 0.00 C +ATOM 12 CA PRO A 12 258.678 244.917 253.262 1.00 0.00 C +ATOM 13 CA PRO A 13 256.347 245.569 250.320 1.00 0.00 C +ATOM 14 CA PRO A 14 253.150 245.760 248.256 1.00 0.00 C +ATOM 15 CA SER A 15 250.276 248.249 248.013 1.00 0.00 C +ATOM 16 CA PRO A 16 248.356 250.157 250.694 1.00 0.00 C +ATOM 17 CA ALA A 17 245.215 252.163 249.899 1.00 0.00 C +ATOM 18 CA ILE A 18 242.112 252.676 247.749 1.00 0.00 C +ATOM 19 CA ALA A 19 239.813 252.310 244.733 1.00 0.00 C +ATOM 20 CA ALA A 20 239.581 255.594 242.815 1.00 0.00 C +ATOM 21 CA PRO A 21 241.666 258.752 242.378 1.00 0.00 C +ATOM 22 CA SER A 22 244.793 260.573 243.571 1.00 0.00 C +ATOM 23 CA ARG A 23 248.121 260.058 245.352 1.00 0.00 C +ATOM 24 CA GLY A 24 249.794 256.718 246.106 1.00 0.00 C +ATOM 25 CA GLN A 25 247.826 253.770 244.709 1.00 0.00 C +ATOM 26 CA ARG A 26 247.651 250.936 242.168 1.00 0.00 C +ATOM 27 CA PRO A 27 247.229 247.375 240.882 1.00 0.00 C +ATOM 28 CA ASP A 28 246.555 243.719 240.045 1.00 0.00 C +ATOM 29 CA ALA A 29 245.990 242.220 236.589 1.00 0.00 C +ATOM 30 CA CYS A 30 247.717 241.591 233.251 1.00 0.00 C +ATOM 31 CA LYS A 31 246.004 240.620 229.989 1.00 0.00 C +ATOM 32 CA GLU A 32 245.748 241.847 226.391 1.00 0.00 C +ATOM 33 CA LYS A 33 248.916 243.896 225.857 1.00 0.00 C +ATOM 34 CA PRO A 34 247.822 247.539 225.626 1.00 0.00 C +ATOM 35 CA GLY A 35 250.574 250.093 226.273 1.00 0.00 C +TER 36 GLY A 35 +END diff --git a/Bacteria/Q0FVZ6/Q0FVZ6.dcd b/Bacteria/Q0FVZ6/Q0FVZ6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d82fa68b87425ed788f15bfd0025b86b12529d6a --- /dev/null +++ b/Bacteria/Q0FVZ6/Q0FVZ6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:30179d50d42aa0fad33d906bcdac0a0c282e6b8ff7c1884df0a71aacc97427b7 +size 5000276 diff --git a/Bacteria/Q0FVZ6/top.pdb b/Bacteria/Q0FVZ6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e0ac4e556fd496cb51a0059976b1ba97f5e8a36e --- /dev/null +++ b/Bacteria/Q0FVZ6/top.pdb @@ -0,0 +1,39 @@ +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 1 258.742 265.158 253.487 1.00 0.00 C +ATOM 2 CA MET A 2 258.452 266.465 257.054 1.00 0.00 C +ATOM 3 CA GLU A 3 256.459 264.253 259.431 1.00 0.00 C +ATOM 4 CA HIS A 4 253.810 262.632 261.638 1.00 0.00 C +ATOM 5 CA CYS A 5 251.892 260.323 259.292 1.00 0.00 C +ATOM 6 CA ARG A 6 251.670 259.048 255.709 1.00 0.00 C +ATOM 7 CA ARG A 7 253.493 258.178 252.478 1.00 0.00 C +ATOM 8 CA ARG A 8 253.353 254.389 252.108 1.00 0.00 C +ATOM 9 CA CYS A 9 253.541 252.744 255.539 1.00 0.00 C +ATOM 10 CA GLN A 10 254.711 254.010 258.936 1.00 0.00 C +ATOM 11 CA SER A 11 254.024 253.665 262.668 1.00 0.00 C +ATOM 12 CA ALA A 12 255.298 250.267 263.829 1.00 0.00 C +ATOM 13 CA ARG A 13 257.883 248.082 262.079 1.00 0.00 C +ATOM 14 CA SER A 14 257.130 244.368 261.688 1.00 0.00 C +ATOM 15 CA LYS A 15 257.034 241.473 259.213 1.00 0.00 C +ATOM 16 CA ALA A 16 253.490 240.076 259.195 1.00 0.00 C +ATOM 17 CA ARG A 17 251.638 239.340 255.948 1.00 0.00 C +ATOM 18 CA VAL A 18 251.344 235.553 255.642 1.00 0.00 C +ATOM 19 CA ARG A 19 249.667 232.975 253.393 1.00 0.00 C +ATOM 20 CA ALA A 20 246.803 233.824 251.029 1.00 0.00 C +ATOM 21 CA ARG A 21 245.880 236.881 248.951 1.00 0.00 C +ATOM 22 CA ASN A 22 248.016 239.068 246.676 1.00 0.00 C +ATOM 23 CA ARG A 23 250.183 242.172 246.250 1.00 0.00 C +ATOM 24 CA ASP A 24 248.842 244.199 243.315 1.00 0.00 C +ATOM 25 CA ARG A 25 248.002 247.684 244.604 1.00 0.00 C +ATOM 26 CA ASN A 26 246.778 251.166 243.658 1.00 0.00 C +ATOM 27 CA GLY A 27 247.852 251.752 240.049 1.00 0.00 C +ATOM 28 CA ARG A 28 248.579 248.956 237.565 1.00 0.00 C +ATOM 29 CA GLY A 29 246.823 247.687 234.431 1.00 0.00 C +ATOM 30 CA SER A 30 243.094 246.963 234.723 1.00 0.00 C +ATOM 31 CA TRP A 31 241.739 249.215 237.481 1.00 0.00 C +ATOM 32 CA THR A 32 241.258 252.965 237.006 1.00 0.00 C +ATOM 33 CA ALA A 33 238.424 255.431 236.370 1.00 0.00 C +ATOM 34 CA THR A 34 236.949 257.710 233.697 1.00 0.00 C +ATOM 35 CA HIS A 35 237.147 261.330 234.867 1.00 0.00 C +TER 36 HIS A 35 +END diff --git a/Bacteria/Q0FW03/Q0FW03.dcd b/Bacteria/Q0FW03/Q0FW03.dcd new file mode 100644 index 0000000000000000000000000000000000000000..dee00bcebbe5b2449912aafa8a933f57023aab13 --- /dev/null +++ b/Bacteria/Q0FW03/Q0FW03.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:240de1c0059d3bad952921f5324c9ffea1747488f740d1138844a94cc5873339 +size 5240276 diff --git a/Bacteria/Q0FW03/top.pdb b/Bacteria/Q0FW03/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d36871786729c5e0d13b7afa30efa8aa8376f57f --- /dev/null +++ b/Bacteria/Q0FW03/top.pdb @@ -0,0 +1,41 @@ +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 1 242.280 239.123 246.414 1.00 0.00 C +ATOM 2 CA ARG A 2 243.897 241.722 244.146 1.00 0.00 C +ATOM 3 CA ARG A 3 245.253 240.977 240.664 1.00 0.00 C +ATOM 4 CA SER A 4 248.632 241.372 238.949 1.00 0.00 C +ATOM 5 CA LYS A 5 252.397 240.788 238.941 1.00 0.00 C +ATOM 6 CA THR A 6 253.731 239.836 242.381 1.00 0.00 C +ATOM 7 CA GLN A 7 256.478 237.653 243.865 1.00 0.00 C +ATOM 8 CA ALA A 8 256.994 235.133 246.675 1.00 0.00 C +ATOM 9 CA ARG A 9 258.466 235.012 250.187 1.00 0.00 C +ATOM 10 CA ASN A 10 257.842 234.188 253.854 1.00 0.00 C +ATOM 11 CA GLU A 11 254.370 233.895 255.395 1.00 0.00 C +ATOM 12 CA LYS A 12 250.844 233.421 254.032 1.00 0.00 C +ATOM 13 CA ARG A 13 250.329 233.801 250.276 1.00 0.00 C +ATOM 14 CA PRO A 14 248.894 237.252 249.533 1.00 0.00 C +ATOM 15 CA ALA A 15 251.354 240.109 248.981 1.00 0.00 C +ATOM 16 CA ALA A 16 251.216 243.901 248.644 1.00 0.00 C +ATOM 17 CA GLY A 17 249.873 245.704 251.720 1.00 0.00 C +ATOM 18 CA GLN A 18 246.100 246.226 251.623 1.00 0.00 C +ATOM 19 CA ALA A 19 242.980 247.693 253.244 1.00 0.00 C +ATOM 20 CA VAL A 20 241.024 249.793 255.749 1.00 0.00 C +ATOM 21 CA GLY A 21 241.943 251.343 259.106 1.00 0.00 C +ATOM 22 CA ARG A 22 244.370 254.272 259.323 1.00 0.00 C +ATOM 23 CA PHE A 23 244.017 257.668 261.015 1.00 0.00 C +ATOM 24 CA ARG A 24 242.758 260.213 258.475 1.00 0.00 C +ATOM 25 CA ALA A 25 240.475 262.395 256.343 1.00 0.00 C +ATOM 26 CA GLY A 26 241.036 264.838 253.474 1.00 0.00 C +ATOM 27 CA LEU A 27 242.552 264.905 249.979 1.00 0.00 C +ATOM 28 CA ARG A 28 245.890 263.070 250.071 1.00 0.00 C +ATOM 29 CA ARG A 29 247.410 260.785 252.713 1.00 0.00 C +ATOM 30 CA GLU A 30 249.895 259.555 255.327 1.00 0.00 C +ATOM 31 CA ARG A 31 253.503 260.751 255.058 1.00 0.00 C +ATOM 32 CA ILE A 32 255.017 260.918 251.566 1.00 0.00 C +ATOM 33 CA PRO A 33 256.442 262.124 248.245 1.00 0.00 C +ATOM 34 CA ARG A 34 257.101 265.601 246.834 1.00 0.00 C +ATOM 35 CA ARG A 35 259.214 267.914 244.666 1.00 0.00 C +ATOM 36 CA ARG A 36 261.791 269.362 242.263 1.00 0.00 C +ATOM 37 CA ALA A 37 263.630 266.686 240.268 1.00 0.00 C +TER 38 ALA A 37 +END diff --git a/Bacteria/Q0FW10/Q0FW10.dcd b/Bacteria/Q0FW10/Q0FW10.dcd new file mode 100644 index 0000000000000000000000000000000000000000..766a762fbc80dce9117ef42e7abebbef8b558f36 --- /dev/null +++ b/Bacteria/Q0FW10/Q0FW10.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:270372b7b43ce0ecbc20d8f47c89da32036d823c3ab0addcfe02315d6fb422b5 +size 7880276 diff --git a/Bacteria/Q0FW10/top.pdb b/Bacteria/Q0FW10/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f0d43c636075d319057f6947448efb22dd427b61 --- /dev/null +++ b/Bacteria/Q0FW10/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 1 254.140 254.744 240.283 1.00 0.00 C +ATOM 2 CA ALA A 2 251.536 253.928 237.623 1.00 0.00 C +ATOM 3 CA LYS A 3 249.859 256.692 235.608 1.00 0.00 C +ATOM 4 CA PRO A 4 250.205 260.242 234.268 1.00 0.00 C +ATOM 5 CA PHE A 5 250.698 262.757 231.448 1.00 0.00 C +ATOM 6 CA ALA A 6 250.148 264.641 228.183 1.00 0.00 C +ATOM 7 CA THR A 7 247.047 264.205 226.012 1.00 0.00 C +ATOM 8 CA PRO A 8 245.296 260.846 225.601 1.00 0.00 C +ATOM 9 CA LEU A 9 243.186 258.218 227.377 1.00 0.00 C +ATOM 10 CA GLN A 10 243.416 254.689 228.794 1.00 0.00 C +ATOM 11 CA ARG A 11 242.502 250.993 228.948 1.00 0.00 C +ATOM 12 CA LYS A 12 242.501 247.370 230.125 1.00 0.00 C +ATOM 13 CA ARG A 13 244.700 246.983 233.213 1.00 0.00 C +ATOM 14 CA PRO A 14 243.910 245.001 236.369 1.00 0.00 C +ATOM 15 CA ALA A 15 242.757 241.784 238.052 1.00 0.00 C +ATOM 16 CA VAL A 16 243.864 239.321 240.741 1.00 0.00 C +ATOM 17 CA SER A 17 243.346 235.609 240.059 1.00 0.00 C +ATOM 18 CA ASP A 18 242.864 231.864 240.571 1.00 0.00 C +ATOM 19 CA GLY A 19 241.255 229.807 243.345 1.00 0.00 C +ATOM 20 CA PRO A 20 243.247 226.565 243.536 1.00 0.00 C +ATOM 21 CA PHE A 21 243.959 223.330 241.654 1.00 0.00 C +ATOM 22 CA ALA A 22 247.370 222.867 240.020 1.00 0.00 C +ATOM 23 CA VAL A 23 246.937 224.299 236.516 1.00 0.00 C +ATOM 24 CA SER A 24 249.542 226.471 234.780 1.00 0.00 C +ATOM 25 CA GLY A 25 252.361 228.330 236.545 1.00 0.00 C +ATOM 26 CA ALA A 26 252.806 229.022 240.265 1.00 0.00 C +ATOM 27 CA GLY A 27 250.595 227.449 242.939 1.00 0.00 C +ATOM 28 CA LEU A 28 248.295 230.245 244.127 1.00 0.00 C +ATOM 29 CA ARG A 29 247.696 232.879 246.813 1.00 0.00 C +ATOM 30 CA PRO A 30 245.378 235.718 247.853 1.00 0.00 C +ATOM 31 CA PHE A 31 245.123 237.662 251.120 1.00 0.00 C +ATOM 32 CA ARG A 32 248.077 240.055 251.371 1.00 0.00 C +ATOM 33 CA SER A 33 248.565 241.117 254.998 1.00 0.00 C +ATOM 34 CA ALA A 34 251.145 243.267 256.796 1.00 0.00 C +ATOM 35 CA PRO A 35 249.872 246.785 257.518 1.00 0.00 C +ATOM 36 CA ALA A 36 249.987 249.663 260.012 1.00 0.00 C +ATOM 37 CA PRO A 37 253.033 250.418 262.172 1.00 0.00 C +ATOM 38 CA LEU A 38 252.995 253.050 264.927 1.00 0.00 C +ATOM 39 CA ARG A 39 251.641 255.132 267.817 1.00 0.00 C +ATOM 40 CA ARG A 40 249.490 252.828 269.957 1.00 0.00 C +ATOM 41 CA GLY A 41 246.081 251.518 271.043 1.00 0.00 C +ATOM 42 CA PRO A 42 242.361 252.290 270.756 1.00 0.00 C +ATOM 43 CA PRO A 43 241.477 253.053 267.129 1.00 0.00 C +ATOM 44 CA ARG A 44 242.950 256.112 265.399 1.00 0.00 C +ATOM 45 CA GLY A 45 243.739 259.089 263.156 1.00 0.00 C +ATOM 46 CA ARG A 46 245.199 262.569 262.637 1.00 0.00 C +ATOM 47 CA ASN A 47 246.879 263.854 265.806 1.00 0.00 C +ATOM 48 CA ARG A 48 250.330 262.863 267.080 1.00 0.00 C +ATOM 49 CA ARG A 49 254.044 262.016 267.162 1.00 0.00 C +ATOM 50 CA PRO A 50 255.949 259.884 264.644 1.00 0.00 C +ATOM 51 CA GLY A 51 259.584 260.510 263.689 1.00 0.00 C +ATOM 52 CA ARG A 52 262.674 261.382 265.741 1.00 0.00 C +ATOM 53 CA SER A 53 261.882 264.268 268.099 1.00 0.00 C +ATOM 54 CA ALA A 54 262.948 267.903 268.506 1.00 0.00 C +ATOM 55 CA PRO A 55 263.493 270.721 266.001 1.00 0.00 C +ATOM 56 CA LEU A 56 265.010 273.899 267.455 1.00 0.00 C +ATOM 57 CA ARG A 57 267.954 275.642 265.778 1.00 0.00 C +ATOM 58 CA PRO A 58 267.489 277.688 262.598 1.00 0.00 C +ATOM 59 CA CYS A 59 268.608 277.892 258.962 1.00 0.00 C +TER 60 CYS A 59 +END diff --git a/Bacteria/Q0FW19/Q0FW19.dcd b/Bacteria/Q0FW19/Q0FW19.dcd new file mode 100644 index 0000000000000000000000000000000000000000..926dad5db318b42a021187443dfcb680626e17b9 --- /dev/null +++ b/Bacteria/Q0FW19/Q0FW19.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6ab32ba30ac5a6ede56ac9d614f1dfa347bc0c63f6879e98500fe8753dffbd2b +size 5120276 diff --git a/Bacteria/Q0FW19/top.pdb b/Bacteria/Q0FW19/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e9168a3d6665b691c4c01fa1c971f7a4624cc525 --- /dev/null +++ b/Bacteria/Q0FW19/top.pdb @@ -0,0 +1,40 @@ +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 1 232.941 255.326 228.748 1.00 0.00 C +ATOM 2 CA ALA A 2 235.309 252.896 227.016 1.00 0.00 C +ATOM 3 CA ARG A 3 238.955 252.690 228.103 1.00 0.00 C +ATOM 4 CA PRO A 4 240.910 251.834 231.260 1.00 0.00 C +ATOM 5 CA GLU A 5 243.022 249.149 232.947 1.00 0.00 C +ATOM 6 CA GLY A 6 246.711 249.949 233.472 1.00 0.00 C +ATOM 7 CA ARG A 7 249.766 249.431 235.687 1.00 0.00 C +ATOM 8 CA SER A 8 252.252 247.574 237.899 1.00 0.00 C +ATOM 9 CA LEU A 9 251.774 246.599 241.551 1.00 0.00 C +ATOM 10 CA VAL A 10 248.891 245.269 243.655 1.00 0.00 C +ATOM 11 CA ASP A 11 247.384 246.902 246.750 1.00 0.00 C +ATOM 12 CA ARG A 12 245.369 250.127 246.516 1.00 0.00 C +ATOM 13 CA GLY A 13 245.413 253.868 245.794 1.00 0.00 C +ATOM 14 CA GLU A 14 248.849 255.514 245.756 1.00 0.00 C +ATOM 15 CA ILE A 15 250.885 258.613 246.630 1.00 0.00 C +ATOM 16 CA CYS A 16 251.532 262.366 246.749 1.00 0.00 C +ATOM 17 CA SER A 17 253.647 265.421 247.593 1.00 0.00 C +ATOM 18 CA SER A 18 255.622 268.617 248.224 1.00 0.00 C +ATOM 19 CA SER A 19 259.385 268.378 247.677 1.00 0.00 C +ATOM 20 CA ALA A 20 261.718 266.059 249.599 1.00 0.00 C +ATOM 21 CA SER A 21 262.052 262.542 251.026 1.00 0.00 C +ATOM 22 CA GLY A 22 260.162 259.251 251.362 1.00 0.00 C +ATOM 23 CA PRO A 23 259.391 256.343 253.699 1.00 0.00 C +ATOM 24 CA ASP A 24 258.927 252.705 254.732 1.00 0.00 C +ATOM 25 CA ARG A 25 258.151 252.146 258.420 1.00 0.00 C +ATOM 26 CA GLY A 26 258.463 250.954 262.025 1.00 0.00 C +ATOM 27 CA ARG A 27 256.012 248.078 262.511 1.00 0.00 C +ATOM 28 CA PRO A 28 253.725 245.689 264.402 1.00 0.00 C +ATOM 29 CA LYS A 29 251.410 242.691 264.806 1.00 0.00 C +ATOM 30 CA ARG A 30 248.647 240.071 264.967 1.00 0.00 C +ATOM 31 CA ASP A 31 245.840 239.981 267.541 1.00 0.00 C +ATOM 32 CA ARG A 32 243.602 237.071 266.523 1.00 0.00 C +ATOM 33 CA ARG A 33 243.547 233.409 267.572 1.00 0.00 C +ATOM 34 CA ASP A 34 245.202 230.110 268.516 1.00 0.00 C +ATOM 35 CA ARG A 35 246.460 227.798 265.762 1.00 0.00 C +ATOM 36 CA ARG A 36 248.074 224.581 264.510 1.00 0.00 C +TER 37 ARG A 36 +END diff --git a/Bacteria/Q0FW31/Q0FW31.dcd b/Bacteria/Q0FW31/Q0FW31.dcd new file mode 100644 index 0000000000000000000000000000000000000000..7235083335328be37fbaa3f2a10b685e18623e31 --- /dev/null +++ b/Bacteria/Q0FW31/Q0FW31.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2fa6e3587e04fcf375f537ccaf8d2232c812a92f328995684643707daab081d1 +size 5600276 diff --git a/Bacteria/Q0FW31/top.pdb b/Bacteria/Q0FW31/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..75d05b1aaa956006bea3e91bf27fdc4f51bc14da --- /dev/null +++ b/Bacteria/Q0FW31/top.pdb @@ -0,0 +1,44 @@ +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 1 251.177 218.359 265.049 1.00 0.00 C +ATOM 2 CA PHE A 2 251.412 221.872 263.593 1.00 0.00 C +ATOM 3 CA PRO A 3 252.958 225.320 264.080 1.00 0.00 C +ATOM 4 CA ALA A 4 253.278 229.102 263.745 1.00 0.00 C +ATOM 5 CA PRO A 5 253.839 232.325 261.793 1.00 0.00 C +ATOM 6 CA ARG A 6 251.929 232.935 258.553 1.00 0.00 C +ATOM 7 CA SER A 7 249.193 235.552 258.983 1.00 0.00 C +ATOM 8 CA GLY A 8 246.975 238.543 258.178 1.00 0.00 C +ATOM 9 CA GLY A 9 243.305 237.626 258.630 1.00 0.00 C +ATOM 10 CA GLN A 10 240.294 235.582 259.760 1.00 0.00 C +ATOM 11 CA SER A 11 237.232 236.361 257.631 1.00 0.00 C +ATOM 12 CA GLN A 12 235.857 239.824 256.837 1.00 0.00 C +ATOM 13 CA ARG A 13 236.271 242.980 258.931 1.00 0.00 C +ATOM 14 CA GLY A 14 237.309 246.598 258.337 1.00 0.00 C +ATOM 15 CA SER A 15 237.899 248.679 255.200 1.00 0.00 C +ATOM 16 CA GLY A 16 238.990 251.686 253.131 1.00 0.00 C +ATOM 17 CA SER A 17 240.898 254.910 252.436 1.00 0.00 C +ATOM 18 CA SER A 18 241.294 258.100 254.482 1.00 0.00 C +ATOM 19 CA SER A 19 244.584 259.718 255.520 1.00 0.00 C +ATOM 20 CA LYS A 20 248.017 258.827 256.912 1.00 0.00 C +ATOM 21 CA ARG A 21 249.575 256.743 259.695 1.00 0.00 C +ATOM 22 CA GLY A 22 250.849 253.288 258.715 1.00 0.00 C +ATOM 23 CA THR A 23 252.060 250.336 256.633 1.00 0.00 C +ATOM 24 CA CYS A 24 254.946 248.709 254.751 1.00 0.00 C +ATOM 25 CA ILE A 25 254.618 249.506 251.039 1.00 0.00 C +ATOM 26 CA ARG A 26 251.492 251.665 250.754 1.00 0.00 C +ATOM 27 CA SER A 27 252.307 254.676 248.566 1.00 0.00 C +ATOM 28 CA CYS A 28 252.238 255.244 244.799 1.00 0.00 C +ATOM 29 CA SER A 29 249.398 254.681 242.322 1.00 0.00 C +ATOM 30 CA GLY A 30 249.849 255.087 238.561 1.00 0.00 C +ATOM 31 CA CYS A 31 251.215 257.769 236.225 1.00 0.00 C +ATOM 32 CA SER A 32 252.797 260.772 234.494 1.00 0.00 C +ATOM 33 CA CYS A 33 251.643 264.126 233.104 1.00 0.00 C +ATOM 34 CA SER A 34 254.673 266.288 232.287 1.00 0.00 C +ATOM 35 CA ALA A 35 256.462 269.636 231.959 1.00 0.00 C +ATOM 36 CA SER A 36 259.310 269.597 229.428 1.00 0.00 C +ATOM 37 CA ALA A 37 261.791 272.256 230.563 1.00 0.00 C +ATOM 38 CA PRO A 38 265.322 270.827 230.494 1.00 0.00 C +ATOM 39 CA THR A 39 267.562 267.747 230.390 1.00 0.00 C +ATOM 40 CA ALA A 40 269.182 266.147 233.445 1.00 0.00 C +TER 41 ALA A 40 +END diff --git a/Bacteria/Q0FW45/Q0FW45.dcd b/Bacteria/Q0FW45/Q0FW45.dcd new file mode 100644 index 0000000000000000000000000000000000000000..6f601a19813db2fd120537af05adc4a5f97820e7 --- /dev/null +++ b/Bacteria/Q0FW45/Q0FW45.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7f7b7dfe7fbd77e7e402c914cd6ddb928b74d9edc4e9aa9208a4a33f0590de40 +size 4520276 diff --git a/Bacteria/Q0FW45/top.pdb b/Bacteria/Q0FW45/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a9fc93124d7d24175b2285a544b67b4fec41bf8d --- /dev/null +++ b/Bacteria/Q0FW45/top.pdb @@ -0,0 +1,35 @@ +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 1 262.160 259.644 224.331 1.00 0.00 C +ATOM 2 CA PRO A 2 259.544 262.238 225.302 1.00 0.00 C +ATOM 3 CA GLY A 3 256.615 263.510 223.224 1.00 0.00 C +ATOM 4 CA SER A 4 253.531 261.305 222.849 1.00 0.00 C +ATOM 5 CA PRO A 5 252.909 258.445 225.289 1.00 0.00 C +ATOM 6 CA VAL A 6 251.924 255.497 223.086 1.00 0.00 C +ATOM 7 CA SER A 7 252.006 252.107 221.348 1.00 0.00 C +ATOM 8 CA GLN A 8 249.270 250.042 223.012 1.00 0.00 C +ATOM 9 CA THR A 9 249.610 249.127 226.695 1.00 0.00 C +ATOM 10 CA ALA A 10 250.078 246.794 229.670 1.00 0.00 C +ATOM 11 CA PRO A 11 251.961 246.322 232.949 1.00 0.00 C +ATOM 12 CA LEU A 12 251.774 245.718 236.706 1.00 0.00 C +ATOM 13 CA THR A 13 250.964 243.826 239.913 1.00 0.00 C +ATOM 14 CA ALA A 14 250.956 242.521 243.492 1.00 0.00 C +ATOM 15 CA TRP A 15 248.411 244.658 245.356 1.00 0.00 C +ATOM 16 CA PRO A 16 248.794 244.690 249.146 1.00 0.00 C +ATOM 17 CA THR A 17 245.429 244.926 250.918 1.00 0.00 C +ATOM 18 CA PRO A 18 243.236 244.254 253.960 1.00 0.00 C +ATOM 19 CA SER A 19 244.510 243.962 257.539 1.00 0.00 C +ATOM 20 CA LYS A 20 247.762 244.991 259.236 1.00 0.00 C +ATOM 21 CA PRO A 21 249.346 243.739 262.467 1.00 0.00 C +ATOM 22 CA MET A 22 248.337 243.825 266.140 1.00 0.00 C +ATOM 23 CA ARG A 23 251.109 244.186 268.728 1.00 0.00 C +ATOM 24 CA SER A 24 251.349 247.786 269.952 1.00 0.00 C +ATOM 25 CA ALA A 25 248.965 248.978 272.675 1.00 0.00 C +ATOM 26 CA ILE A 26 249.311 248.022 276.347 1.00 0.00 C +ATOM 27 CA GLY A 27 248.837 251.310 278.213 1.00 0.00 C +ATOM 28 CA PRO A 28 246.788 253.309 280.727 1.00 0.00 C +ATOM 29 CA SER A 29 245.856 255.123 283.945 1.00 0.00 C +ATOM 30 CA VAL A 30 244.595 256.167 287.385 1.00 0.00 C +ATOM 31 CA PRO A 31 244.062 252.977 289.399 1.00 0.00 C +TER 32 PRO A 31 +END diff --git a/Bacteria/Q0FW51/Q0FW51.dcd b/Bacteria/Q0FW51/Q0FW51.dcd new file mode 100644 index 0000000000000000000000000000000000000000..cc096300fdae40db6825123d743fc32c6dd5518c --- /dev/null +++ b/Bacteria/Q0FW51/Q0FW51.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:def10f37591c265c342c9677599ba51bfefbf1661be39d4fa9f5dae06d7a817a +size 5720276 diff --git a/Bacteria/Q0FW51/top.pdb b/Bacteria/Q0FW51/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..aa750feca1b9fe73564cebf3a232f0acfbdf2850 --- /dev/null +++ b/Bacteria/Q0FW51/top.pdb @@ -0,0 +1,45 @@ +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 1 235.921 238.788 251.214 1.00 0.00 C +ATOM 2 CA PRO A 2 239.536 237.683 250.736 1.00 0.00 C +ATOM 3 CA VAL A 3 242.651 239.871 250.881 1.00 0.00 C +ATOM 4 CA ALA A 4 242.173 243.649 250.747 1.00 0.00 C +ATOM 5 CA ALA A 5 242.795 245.511 247.482 1.00 0.00 C +ATOM 6 CA PRO A 6 245.681 243.900 245.588 1.00 0.00 C +ATOM 7 CA CYS A 7 247.714 241.287 243.702 1.00 0.00 C +ATOM 8 CA PRO A 8 251.026 242.599 242.351 1.00 0.00 C +ATOM 9 CA PHE A 9 253.677 243.625 244.888 1.00 0.00 C +ATOM 10 CA PRO A 10 254.042 240.968 247.593 1.00 0.00 C +ATOM 11 CA SER A 11 250.905 240.872 249.753 1.00 0.00 C +ATOM 12 CA PRO A 12 251.445 240.857 253.524 1.00 0.00 C +ATOM 13 CA GLU A 13 251.153 244.077 255.540 1.00 0.00 C +ATOM 14 CA GLY A 14 248.719 246.802 254.458 1.00 0.00 C +ATOM 15 CA SER A 15 248.492 250.479 255.426 1.00 0.00 C +ATOM 16 CA MET A 16 250.262 252.947 257.728 1.00 0.00 C +ATOM 17 CA PRO A 17 253.906 253.501 258.692 1.00 0.00 C +ATOM 18 CA PRO A 18 256.022 251.491 256.243 1.00 0.00 C +ATOM 19 CA ARG A 19 255.425 252.812 252.720 1.00 0.00 C +ATOM 20 CA PRO A 20 254.080 251.862 249.285 1.00 0.00 C +ATOM 21 CA VAL A 21 253.322 251.934 245.551 1.00 0.00 C +ATOM 22 CA ARG A 22 250.376 251.944 243.135 1.00 0.00 C +ATOM 23 CA ARG A 23 250.890 254.507 240.363 1.00 0.00 C +ATOM 24 CA PRO A 24 250.843 252.603 237.064 1.00 0.00 C +ATOM 25 CA GLY A 25 253.789 251.456 234.937 1.00 0.00 C +ATOM 26 CA LEU A 26 256.704 249.934 236.859 1.00 0.00 C +ATOM 27 CA ARG A 27 260.199 248.711 237.760 1.00 0.00 C +ATOM 28 CA PRO A 28 261.969 249.694 240.987 1.00 0.00 C +ATOM 29 CA GLY A 29 260.805 252.052 243.744 1.00 0.00 C +ATOM 30 CA TRP A 30 258.404 255.005 243.574 1.00 0.00 C +ATOM 31 CA ARG A 31 257.718 256.306 247.089 1.00 0.00 C +ATOM 32 CA CYS A 32 255.224 259.169 247.400 1.00 0.00 C +ATOM 33 CA PRO A 33 252.690 257.986 249.987 1.00 0.00 C +ATOM 34 CA GLY A 34 249.634 260.120 250.775 1.00 0.00 C +ATOM 35 CA THR A 35 248.240 259.565 254.277 1.00 0.00 C +ATOM 36 CA SER A 36 246.015 257.207 256.279 1.00 0.00 C +ATOM 37 CA GLU A 37 242.489 257.059 257.715 1.00 0.00 C +ATOM 38 CA GLY A 38 242.546 255.846 261.326 1.00 0.00 C +ATOM 39 CA GLY A 39 240.509 256.707 264.429 1.00 0.00 C +ATOM 40 CA MET A 40 241.820 255.373 267.748 1.00 0.00 C +ATOM 41 CA PRO A 41 240.190 253.240 270.452 1.00 0.00 C +TER 42 PRO A 41 +END diff --git a/Bacteria/Q0FW60/Q0FW60.dcd b/Bacteria/Q0FW60/Q0FW60.dcd new file mode 100644 index 0000000000000000000000000000000000000000..772ad56d7a3ce72eafd1d8e12c44e3104932465c --- /dev/null +++ b/Bacteria/Q0FW60/Q0FW60.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d9873b092356f9a716ed70a7a48bbda479bc6e18325303ba135e511a1f942a6c +size 10040276 diff --git a/Bacteria/Q0FW60/top.pdb b/Bacteria/Q0FW60/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f83cd886993f1b3799125ae790909cfc348afdb4 --- /dev/null +++ b/Bacteria/Q0FW60/top.pdb @@ -0,0 +1,81 @@ +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 1 252.778 264.370 251.275 1.00 0.00 C +ATOM 2 CA ARG A 2 252.916 266.408 254.491 1.00 0.00 C +ATOM 3 CA ALA A 3 252.994 270.126 253.665 1.00 0.00 C +ATOM 4 CA CYS A 4 249.983 272.452 253.471 1.00 0.00 C +ATOM 5 CA ARG A 5 248.074 274.308 256.196 1.00 0.00 C +ATOM 6 CA SER A 6 244.483 274.562 257.446 1.00 0.00 C +ATOM 7 CA THR A 7 240.840 275.387 256.699 1.00 0.00 C +ATOM 8 CA SER A 8 238.618 275.194 253.610 1.00 0.00 C +ATOM 9 CA SER A 9 235.800 272.680 254.118 1.00 0.00 C +ATOM 10 CA PRO A 10 232.583 272.889 256.148 1.00 0.00 C +ATOM 11 CA PRO A 11 230.375 269.865 255.445 1.00 0.00 C +ATOM 12 CA THR A 12 227.410 267.738 254.348 1.00 0.00 C +ATOM 13 CA ARG A 13 228.111 263.996 254.486 1.00 0.00 C +ATOM 14 CA ARG A 14 227.547 261.934 257.640 1.00 0.00 C +ATOM 15 CA HIS A 15 230.200 261.726 260.366 1.00 0.00 C +ATOM 16 CA SER A 16 232.493 264.768 260.314 1.00 0.00 C +ATOM 17 CA PRO A 17 231.516 267.788 262.421 1.00 0.00 C +ATOM 18 CA PRO A 18 228.534 268.887 264.522 1.00 0.00 C +ATOM 19 CA PRO A 19 227.040 266.131 266.688 1.00 0.00 C +ATOM 20 CA ARG A 20 224.418 264.484 264.468 1.00 0.00 C +ATOM 21 CA ARG A 21 223.603 266.109 261.119 1.00 0.00 C +ATOM 22 CA ARG A 22 224.975 269.370 259.705 1.00 0.00 C +ATOM 23 CA ALA A 23 223.670 272.948 259.598 1.00 0.00 C +ATOM 24 CA THR A 24 224.998 274.967 262.544 1.00 0.00 C +ATOM 25 CA PRO A 25 227.692 277.653 262.754 1.00 0.00 C +ATOM 26 CA LEU A 26 228.776 279.176 266.074 1.00 0.00 C +ATOM 27 CA SER A 27 228.681 277.035 269.225 1.00 0.00 C +ATOM 28 CA SER A 28 231.802 275.327 270.588 1.00 0.00 C +ATOM 29 CA PRO A 29 233.884 272.163 270.998 1.00 0.00 C +ATOM 30 CA GLU A 30 236.982 271.623 268.847 1.00 0.00 C +ATOM 31 CA ARG A 31 240.544 271.434 267.510 1.00 0.00 C +ATOM 32 CA ALA A 32 243.672 273.608 267.406 1.00 0.00 C +ATOM 33 CA SER A 33 247.133 272.243 268.229 1.00 0.00 C +ATOM 34 CA ARG A 34 247.338 268.642 267.002 1.00 0.00 C +ATOM 35 CA THR A 35 247.531 265.183 268.588 1.00 0.00 C +ATOM 36 CA LEU A 36 249.982 262.266 268.535 1.00 0.00 C +ATOM 37 CA PHE A 37 251.652 260.797 271.629 1.00 0.00 C +ATOM 38 CA ARG A 38 254.852 259.389 273.143 1.00 0.00 C +ATOM 39 CA ASN A 39 256.675 256.509 271.440 1.00 0.00 C +ATOM 40 CA GLY A 40 258.462 257.891 268.372 1.00 0.00 C +ATOM 41 CA SER A 41 260.414 257.911 265.100 1.00 0.00 C +ATOM 42 CA THR A 42 259.342 259.672 261.896 1.00 0.00 C +ATOM 43 CA THR A 43 260.238 260.364 258.258 1.00 0.00 C +ATOM 44 CA VAL A 44 262.325 260.025 255.089 1.00 0.00 C +ATOM 45 CA LEU A 45 262.294 257.273 252.453 1.00 0.00 C +ATOM 46 CA ALA A 46 259.053 256.115 250.820 1.00 0.00 C +ATOM 47 CA ALA A 47 256.587 254.804 248.228 1.00 0.00 C +ATOM 48 CA ALA A 48 256.535 250.999 248.053 1.00 0.00 C +ATOM 49 CA THR A 49 253.862 248.654 246.683 1.00 0.00 C +ATOM 50 CA SER A 50 252.944 248.656 242.985 1.00 0.00 C +ATOM 51 CA TRP A 51 252.651 245.457 240.936 1.00 0.00 C +ATOM 52 CA SER A 52 253.681 243.696 237.718 1.00 0.00 C +ATOM 53 CA ARG A 53 254.419 243.993 233.992 1.00 0.00 C +ATOM 54 CA MET A 54 256.865 242.327 231.592 1.00 0.00 C +ATOM 55 CA SER A 55 258.874 239.221 230.681 1.00 0.00 C +ATOM 56 CA THR A 56 261.711 236.734 230.147 1.00 0.00 C +ATOM 57 CA ALA A 57 262.674 236.019 226.530 1.00 0.00 C +ATOM 58 CA SER A 58 265.398 234.286 224.508 1.00 0.00 C +ATOM 59 CA ARG A 59 265.291 230.503 224.069 1.00 0.00 C +ATOM 60 CA ILE A 60 266.058 226.817 224.654 1.00 0.00 C +ATOM 61 CA ARG A 61 265.087 224.579 221.728 1.00 0.00 C +ATOM 62 CA LYS A 62 262.475 222.052 220.585 1.00 0.00 C +ATOM 63 CA ARG A 63 259.059 221.098 221.977 1.00 0.00 C +ATOM 64 CA SER A 64 259.712 220.091 225.593 1.00 0.00 C +ATOM 65 CA SER A 65 260.974 219.517 229.141 1.00 0.00 C +ATOM 66 CA PRO A 66 263.228 216.638 230.211 1.00 0.00 C +ATOM 67 CA ARG A 67 265.617 213.670 230.247 1.00 0.00 C +ATOM 68 CA SER A 68 269.339 212.985 230.684 1.00 0.00 C +ATOM 69 CA SER A 69 271.292 210.795 233.115 1.00 0.00 C +ATOM 70 CA PRO A 70 271.344 207.850 235.531 1.00 0.00 C +ATOM 71 CA ILE A 71 274.074 206.834 237.987 1.00 0.00 C +ATOM 72 CA SER A 72 275.653 203.511 236.997 1.00 0.00 C +ATOM 73 CA THR A 73 274.743 200.074 235.627 1.00 0.00 C +ATOM 74 CA SER A 74 271.633 197.963 235.008 1.00 0.00 C +ATOM 75 CA GLY A 75 270.778 194.345 235.843 1.00 0.00 C +ATOM 76 CA PRO A 76 268.089 192.871 233.583 1.00 0.00 C +ATOM 77 CA ALA A 77 266.066 191.575 230.625 1.00 0.00 C +TER 78 ALA A 77 +END diff --git a/Bacteria/Q0FW65/Q0FW65.dcd b/Bacteria/Q0FW65/Q0FW65.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b1bd7d0dd94990916e70a45e75a5922da8d82ab0 --- /dev/null +++ b/Bacteria/Q0FW65/Q0FW65.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ac1a1f4e7bc16dde46a283930e973bc8f44a45b9b593c8ab466a42b4d160cacb +size 6680276 diff --git a/Bacteria/Q0FW65/top.pdb b/Bacteria/Q0FW65/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0821c28b489626b516aecc37492e9e207e452db9 --- /dev/null +++ b/Bacteria/Q0FW65/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 MET A 1 258.552 229.271 287.917 1.00 0.00 C +ATOM 2 CA PRO A 2 260.075 232.316 286.206 1.00 0.00 C +ATOM 3 CA THR A 3 260.801 233.756 282.754 1.00 0.00 C +ATOM 4 CA GLY A 4 259.344 237.191 281.983 1.00 0.00 C +ATOM 5 CA SER A 5 256.169 236.718 279.930 1.00 0.00 C +ATOM 6 CA PRO A 6 255.115 239.156 277.199 1.00 0.00 C +ATOM 7 CA THR A 7 254.384 240.537 273.724 1.00 0.00 C +ATOM 8 CA ILE A 8 254.194 241.084 269.958 1.00 0.00 C +ATOM 9 CA PRO A 9 254.071 243.552 267.058 1.00 0.00 C +ATOM 10 CA ARG A 10 251.349 243.347 264.400 1.00 0.00 C +ATOM 11 CA ALA A 11 250.638 242.421 260.774 1.00 0.00 C +ATOM 12 CA ARG A 12 248.777 240.909 257.812 1.00 0.00 C +ATOM 13 CA GLN A 13 248.798 239.734 254.188 1.00 0.00 C +ATOM 14 CA SER A 14 246.586 240.242 251.128 1.00 0.00 C +ATOM 15 CA SER A 15 247.133 242.748 248.311 1.00 0.00 C +ATOM 16 CA PRO A 16 246.457 245.772 246.094 1.00 0.00 C +ATOM 17 CA SER A 17 242.861 246.944 245.641 1.00 0.00 C +ATOM 18 CA THR A 18 241.670 250.352 246.860 1.00 0.00 C +ATOM 19 CA THR A 19 241.374 252.255 250.148 1.00 0.00 C +ATOM 20 CA TRP A 20 242.242 255.956 250.396 1.00 0.00 C +ATOM 21 CA CYS A 21 245.497 257.867 250.919 1.00 0.00 C +ATOM 22 CA PRO A 22 247.016 257.344 254.374 1.00 0.00 C +ATOM 23 CA SER A 23 246.551 254.533 256.903 1.00 0.00 C +ATOM 24 CA ALA A 24 248.394 251.812 258.831 1.00 0.00 C +ATOM 25 CA ALA A 25 251.980 250.970 259.804 1.00 0.00 C +ATOM 26 CA SER A 26 255.221 251.444 257.857 1.00 0.00 C +ATOM 27 CA ARG A 27 257.683 252.581 255.181 1.00 0.00 C +ATOM 28 CA PRO A 28 259.743 251.844 252.062 1.00 0.00 C +ATOM 29 CA ARG A 29 257.610 252.469 248.968 1.00 0.00 C +ATOM 30 CA ALA A 30 255.697 250.808 246.122 1.00 0.00 C +ATOM 31 CA THR A 31 256.674 248.745 243.072 1.00 0.00 C +ATOM 32 CA ARG A 32 258.170 249.125 239.588 1.00 0.00 C +ATOM 33 CA ARG A 33 256.220 247.049 237.058 1.00 0.00 C +ATOM 34 CA SER A 34 256.850 243.784 235.199 1.00 0.00 C +ATOM 35 CA ALA A 35 253.643 243.117 233.252 1.00 0.00 C +ATOM 36 CA THR A 36 250.578 244.722 234.848 1.00 0.00 C +ATOM 37 CA PRO A 37 248.200 246.958 236.812 1.00 0.00 C +ATOM 38 CA PRO A 38 245.057 249.112 236.807 1.00 0.00 C +ATOM 39 CA SER A 39 245.669 252.343 238.731 1.00 0.00 C +ATOM 40 CA ARG A 40 243.821 255.568 239.566 1.00 0.00 C +ATOM 41 CA SER A 41 242.961 259.035 238.240 1.00 0.00 C +ATOM 42 CA PRO A 42 241.830 260.849 235.086 1.00 0.00 C +ATOM 43 CA SER A 43 244.045 262.848 232.716 1.00 0.00 C +ATOM 44 CA SER A 44 243.354 265.883 230.520 1.00 0.00 C +ATOM 45 CA ILE A 45 244.601 266.787 227.035 1.00 0.00 C +ATOM 46 CA SER A 46 242.601 269.842 225.948 1.00 0.00 C +ATOM 47 CA PHE A 47 242.729 273.162 224.083 1.00 0.00 C +ATOM 48 CA ARG A 48 244.126 273.435 220.549 1.00 0.00 C +ATOM 49 CA ALA A 49 242.887 271.702 217.390 1.00 0.00 C +TER 50 ALA A 49 +END diff --git a/Bacteria/Q0FW76/Q0FW76.dcd b/Bacteria/Q0FW76/Q0FW76.dcd new file mode 100644 index 0000000000000000000000000000000000000000..6c60a1076dbf65d495c054cf5692db9fc510c721 --- /dev/null +++ b/Bacteria/Q0FW76/Q0FW76.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c0ded625f9dc3fcf195ae59fe88314fde81b11043d935d51db9e39337f316a04 +size 7040276 diff --git a/Bacteria/Q0FW76/top.pdb b/Bacteria/Q0FW76/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..dd6cbaa3c5984e46d9aba1e9ee31b481bcf5350b --- /dev/null +++ b/Bacteria/Q0FW76/top.pdb @@ -0,0 +1,56 @@ +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 1 249.682 215.287 234.337 1.00 0.00 C +ATOM 2 CA PRO A 2 246.799 215.577 231.863 1.00 0.00 C +ATOM 3 CA GLN A 3 245.750 219.157 231.088 1.00 0.00 C +ATOM 4 CA ARG A 4 245.740 222.930 231.618 1.00 0.00 C +ATOM 5 CA VAL A 5 243.307 225.850 231.883 1.00 0.00 C +ATOM 6 CA ASP A 6 244.532 229.258 230.698 1.00 0.00 C +ATOM 7 CA LEU A 7 246.916 232.209 230.352 1.00 0.00 C +ATOM 8 CA ARG A 8 247.841 234.453 233.289 1.00 0.00 C +ATOM 9 CA GLN A 9 246.128 237.104 235.423 1.00 0.00 C +ATOM 10 CA THR A 10 243.370 239.730 235.549 1.00 0.00 C +ATOM 11 CA SER A 11 241.328 240.215 232.369 1.00 0.00 C +ATOM 12 CA GLY A 12 241.621 243.707 230.873 1.00 0.00 C +ATOM 13 CA GLU A 13 239.377 246.784 230.774 1.00 0.00 C +ATOM 14 CA GLN A 14 235.872 247.878 231.790 1.00 0.00 C +ATOM 15 CA GLN A 15 234.132 245.475 234.181 1.00 0.00 C +ATOM 16 CA PHE A 16 233.458 243.696 237.482 1.00 0.00 C +ATOM 17 CA HIS A 17 236.466 241.459 238.164 1.00 0.00 C +ATOM 18 CA ALA A 18 236.801 237.774 237.259 1.00 0.00 C +ATOM 19 CA VAL A 19 238.838 234.601 237.807 1.00 0.00 C +ATOM 20 CA ALA A 20 241.844 234.335 240.133 1.00 0.00 C +ATOM 21 CA GLY A 21 241.285 237.085 242.711 1.00 0.00 C +ATOM 22 CA GLY A 22 243.585 240.064 243.298 1.00 0.00 C +ATOM 23 CA ARG A 23 242.822 243.149 241.197 1.00 0.00 C +ATOM 24 CA ARG A 24 243.308 246.900 241.656 1.00 0.00 C +ATOM 25 CA ALA A 25 244.999 248.973 244.369 1.00 0.00 C +ATOM 26 CA GLY A 26 244.173 249.732 248.010 1.00 0.00 C +ATOM 27 CA ALA A 27 245.624 253.143 248.889 1.00 0.00 C +ATOM 28 CA ARG A 28 245.278 254.411 252.465 1.00 0.00 C +ATOM 29 CA HIS A 29 246.194 251.674 254.953 1.00 0.00 C +ATOM 30 CA ASP A 30 248.267 251.643 258.149 1.00 0.00 C +ATOM 31 CA PRO A 31 247.064 251.541 261.763 1.00 0.00 C +ATOM 32 CA ARG A 32 244.148 253.973 262.078 1.00 0.00 C +ATOM 33 CA HIS A 33 242.930 257.581 261.953 1.00 0.00 C +ATOM 34 CA HIS A 34 245.597 259.544 260.069 1.00 0.00 C +ATOM 35 CA ALA A 35 249.140 260.943 259.993 1.00 0.00 C +ATOM 36 CA GLY A 36 250.194 261.265 263.640 1.00 0.00 C +ATOM 37 CA GLN A 37 251.003 261.609 267.347 1.00 0.00 C +ATOM 38 CA HIS A 38 254.720 262.339 267.758 1.00 0.00 C +ATOM 39 CA GLY A 39 257.076 262.422 264.765 1.00 0.00 C +ATOM 40 CA LEU A 40 256.948 260.650 261.395 1.00 0.00 C +ATOM 41 CA PHE A 41 256.361 262.973 258.433 1.00 0.00 C +ATOM 42 CA ARG A 42 258.672 265.927 257.762 1.00 0.00 C +ATOM 43 CA ARG A 43 260.743 266.408 260.924 1.00 0.00 C +ATOM 44 CA GLU A 44 264.086 267.516 262.379 1.00 0.00 C +ATOM 45 CA ILE A 45 267.065 269.135 264.115 1.00 0.00 C +ATOM 46 CA PRO A 46 270.481 269.709 265.703 1.00 0.00 C +ATOM 47 CA GLN A 47 273.426 270.799 267.860 1.00 0.00 C +ATOM 48 CA PRO A 48 274.469 272.483 271.115 1.00 0.00 C +ATOM 49 CA GLY A 49 273.555 275.491 273.267 1.00 0.00 C +ATOM 50 CA LEU A 50 272.393 277.100 276.520 1.00 0.00 C +ATOM 51 CA HIS A 51 271.552 274.905 279.519 1.00 0.00 C +ATOM 52 CA ARG A 52 273.042 271.435 279.013 1.00 0.00 C +TER 53 ARG A 52 +END diff --git a/Bacteria/Q0FW78/Q0FW78.dcd b/Bacteria/Q0FW78/Q0FW78.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a684a7b90b4d8bf249b7328f92bab30c659bb6b6 --- /dev/null +++ b/Bacteria/Q0FW78/Q0FW78.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b6524718ab20600b771c7393abcd248bd866b76595a34306b55c011b79aa04c8 +size 5120276 diff --git a/Bacteria/Q0FW78/top.pdb b/Bacteria/Q0FW78/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7c612a822cd1e65e728562f49b360c7ae4553f26 --- /dev/null +++ b/Bacteria/Q0FW78/top.pdb @@ -0,0 +1,40 @@ +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 1 277.325 249.817 269.241 1.00 0.00 C +ATOM 2 CA ARG A 2 276.810 250.585 265.545 1.00 0.00 C +ATOM 3 CA ALA A 3 274.888 250.329 262.266 1.00 0.00 C +ATOM 4 CA ILE A 4 271.840 248.866 260.510 1.00 0.00 C +ATOM 5 CA SER A 5 269.431 246.260 259.123 1.00 0.00 C +ATOM 6 CA TRP A 6 267.664 244.695 256.132 1.00 0.00 C +ATOM 7 CA HIS A 7 263.918 245.183 256.634 1.00 0.00 C +ATOM 8 CA GLY A 8 260.939 243.741 254.747 1.00 0.00 C +ATOM 9 CA SER A 9 258.433 243.630 251.880 1.00 0.00 C +ATOM 10 CA THR A 10 255.083 243.647 250.066 1.00 0.00 C +ATOM 11 CA ILE A 11 255.050 245.410 246.689 1.00 0.00 C +ATOM 12 CA ALA A 12 256.468 245.469 243.153 1.00 0.00 C +ATOM 13 CA VAL A 13 258.251 244.113 240.071 1.00 0.00 C +ATOM 14 CA CYS A 14 259.917 245.152 236.806 1.00 0.00 C +ATOM 15 CA GLN A 15 262.797 247.556 237.477 1.00 0.00 C +ATOM 16 CA ALA A 16 263.562 250.918 239.096 1.00 0.00 C +ATOM 17 CA ARG A 17 260.392 252.917 239.785 1.00 0.00 C +ATOM 18 CA THR A 18 256.964 254.541 240.147 1.00 0.00 C +ATOM 19 CA ARG A 19 254.861 252.090 242.169 1.00 0.00 C +ATOM 20 CA SER A 20 253.835 253.009 245.721 1.00 0.00 C +ATOM 21 CA THR A 21 251.809 250.484 247.731 1.00 0.00 C +ATOM 22 CA SER A 22 248.755 248.716 246.296 1.00 0.00 C +ATOM 23 CA SER A 23 245.197 248.785 244.934 1.00 0.00 C +ATOM 24 CA ARG A 24 241.776 247.836 246.316 1.00 0.00 C +ATOM 25 CA PRO A 25 240.489 247.501 249.887 1.00 0.00 C +ATOM 26 CA ARG A 26 237.023 248.729 250.882 1.00 0.00 C +ATOM 27 CA SER A 27 236.460 251.782 253.091 1.00 0.00 C +ATOM 28 CA PRO A 28 233.693 250.932 255.569 1.00 0.00 C +ATOM 29 CA THR A 29 231.941 254.241 256.270 1.00 0.00 C +ATOM 30 CA ASP A 30 228.896 255.880 254.670 1.00 0.00 C +ATOM 31 CA ALA A 31 228.992 259.316 253.026 1.00 0.00 C +ATOM 32 CA ARG A 32 227.634 259.289 249.466 1.00 0.00 C +ATOM 33 CA HIS A 33 226.102 256.892 246.932 1.00 0.00 C +ATOM 34 CA ILE A 34 222.350 256.235 247.047 1.00 0.00 C +ATOM 35 CA ALA A 35 219.918 254.240 249.197 1.00 0.00 C +ATOM 36 CA GLY A 36 220.537 251.214 251.428 1.00 0.00 C +TER 37 GLY A 36 +END diff --git a/Bacteria/Q0FW92/Q0FW92.dcd b/Bacteria/Q0FW92/Q0FW92.dcd new file mode 100644 index 0000000000000000000000000000000000000000..87403597db4963cce7c30fc24778377715a647a8 --- /dev/null +++ b/Bacteria/Q0FW92/Q0FW92.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:018a29eccabe2f5e5e8123b730d983ebe046f5d6579604839c82fbce9996c807 +size 5000276 diff --git a/Bacteria/Q0FW92/top.pdb b/Bacteria/Q0FW92/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5f3b537c4532dcc37f1038fea0a18a24c9db2719 --- /dev/null +++ b/Bacteria/Q0FW92/top.pdb @@ -0,0 +1,39 @@ +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 1 233.991 228.054 265.285 1.00 0.00 C +ATOM 2 CA SER A 2 230.924 228.622 263.098 1.00 0.00 C +ATOM 3 CA ARG A 3 232.024 229.850 259.663 1.00 0.00 C +ATOM 4 CA LEU A 4 233.079 232.967 257.742 1.00 0.00 C +ATOM 5 CA GLN A 5 236.100 234.346 255.875 1.00 0.00 C +ATOM 6 CA ASP A 6 237.592 237.393 257.611 1.00 0.00 C +ATOM 7 CA ARG A 7 238.154 240.126 260.205 1.00 0.00 C +ATOM 8 CA THR A 8 241.805 241.171 259.901 1.00 0.00 C +ATOM 9 CA ASP A 9 244.004 238.244 260.959 1.00 0.00 C +ATOM 10 CA ALA A 10 247.800 238.406 260.673 1.00 0.00 C +ATOM 11 CA LEU A 11 250.814 240.712 260.344 1.00 0.00 C +ATOM 12 CA ARG A 12 253.574 240.462 257.729 1.00 0.00 C +ATOM 13 CA ALA A 13 256.613 242.419 256.523 1.00 0.00 C +ATOM 14 CA ARG A 14 258.740 243.822 259.356 1.00 0.00 C +ATOM 15 CA PRO A 15 261.174 246.522 258.217 1.00 0.00 C +ATOM 16 CA PHE A 16 260.221 249.214 255.695 1.00 0.00 C +ATOM 17 CA ASP A 17 261.285 251.629 252.947 1.00 0.00 C +ATOM 18 CA PRO A 18 258.124 253.534 252.002 1.00 0.00 C +ATOM 19 CA VAL A 19 254.639 253.973 253.479 1.00 0.00 C +ATOM 20 CA LEU A 20 253.378 257.315 252.153 1.00 0.00 C +ATOM 21 CA GLY A 21 251.715 260.494 253.437 1.00 0.00 C +ATOM 22 CA PRO A 22 248.883 262.180 251.525 1.00 0.00 C +ATOM 23 CA LEU A 23 249.667 265.907 251.605 1.00 0.00 C +ATOM 24 CA HIS A 24 249.614 269.044 249.443 1.00 0.00 C +ATOM 25 CA PRO A 25 250.244 269.017 245.686 1.00 0.00 C +ATOM 26 CA CYS A 26 249.875 267.207 242.353 1.00 0.00 C +ATOM 27 CA ALA A 27 251.369 267.150 238.849 1.00 0.00 C +ATOM 28 CA ALA A 28 253.189 264.417 236.917 1.00 0.00 C +ATOM 29 CA GLY A 29 252.394 261.356 234.792 1.00 0.00 C +ATOM 30 CA SER A 30 255.175 258.864 234.035 1.00 0.00 C +ATOM 31 CA ARG A 31 255.724 255.254 235.122 1.00 0.00 C +ATOM 32 CA ARG A 32 256.078 252.789 232.238 1.00 0.00 C +ATOM 33 CA ARG A 33 257.789 254.603 229.358 1.00 0.00 C +ATOM 34 CA GLY A 34 260.688 255.362 227.005 1.00 0.00 C +ATOM 35 CA SER A 35 263.559 257.576 228.175 1.00 0.00 C +TER 36 SER A 35 +END diff --git a/Bacteria/Q0FW94/Q0FW94.dcd b/Bacteria/Q0FW94/Q0FW94.dcd new file mode 100644 index 0000000000000000000000000000000000000000..03a8361e56a5d4dcbe4512d69cb13c005ad6324c --- /dev/null +++ b/Bacteria/Q0FW94/Q0FW94.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0dd50d5c6240d54875dd64b1e792d06929574e6921c960078f42b0113f0f309c +size 6320276 diff --git a/Bacteria/Q0FW94/top.pdb b/Bacteria/Q0FW94/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4f9d5611422e00692d0b56adb3d654630e5bd08d --- /dev/null +++ b/Bacteria/Q0FW94/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 1 249.313 258.507 255.126 1.00 0.00 C +ATOM 2 CA SER A 2 250.994 255.217 254.195 1.00 0.00 C +ATOM 3 CA ARG A 3 249.316 253.593 251.185 1.00 0.00 C +ATOM 4 CA SER A 4 248.404 250.057 250.097 1.00 0.00 C +ATOM 5 CA ILE A 5 245.813 247.332 249.483 1.00 0.00 C +ATOM 6 CA PRO A 6 242.102 248.138 249.177 1.00 0.00 C +ATOM 7 CA THR A 7 239.825 248.103 246.122 1.00 0.00 C +ATOM 8 CA PRO A 8 238.360 249.968 243.141 1.00 0.00 C +ATOM 9 CA ALA A 9 237.669 247.789 240.093 1.00 0.00 C +ATOM 10 CA PRO A 10 234.239 246.945 238.664 1.00 0.00 C +ATOM 11 CA PRO A 11 233.466 243.280 237.966 1.00 0.00 C +ATOM 12 CA ARG A 12 235.322 240.329 239.504 1.00 0.00 C +ATOM 13 CA SER A 13 238.486 238.504 238.419 1.00 0.00 C +ATOM 14 CA SER A 14 240.757 240.795 236.392 1.00 0.00 C +ATOM 15 CA THR A 15 241.491 244.443 235.573 1.00 0.00 C +ATOM 16 CA SER A 16 243.853 246.254 237.951 1.00 0.00 C +ATOM 17 CA SER A 17 246.672 248.813 237.812 1.00 0.00 C +ATOM 18 CA ALA A 18 249.723 250.292 239.551 1.00 0.00 C +ATOM 19 CA ALA A 19 249.198 253.942 240.507 1.00 0.00 C +ATOM 20 CA ARG A 20 251.019 255.444 243.498 1.00 0.00 C +ATOM 21 CA THR A 21 250.817 259.206 242.929 1.00 0.00 C +ATOM 22 CA PRO A 22 248.701 260.731 245.706 1.00 0.00 C +ATOM 23 CA GLY A 23 246.473 262.425 248.290 1.00 0.00 C +ATOM 24 CA ALA A 24 243.257 262.840 250.291 1.00 0.00 C +ATOM 25 CA PRO A 25 243.064 264.432 253.747 1.00 0.00 C +ATOM 26 CA SER A 26 244.214 264.268 257.375 1.00 0.00 C +ATOM 27 CA THR A 27 247.765 264.910 258.599 1.00 0.00 C +ATOM 28 CA PRO A 28 249.558 263.058 261.405 1.00 0.00 C +ATOM 29 CA PRO A 29 250.219 259.312 261.610 1.00 0.00 C +ATOM 30 CA MET A 30 253.188 257.526 263.195 1.00 0.00 C +ATOM 31 CA SER A 31 253.445 253.792 263.911 1.00 0.00 C +ATOM 32 CA LYS A 32 253.720 250.630 261.805 1.00 0.00 C +ATOM 33 CA GLY A 33 257.307 249.351 261.687 1.00 0.00 C +ATOM 34 CA ARG A 34 258.833 250.841 258.530 1.00 0.00 C +ATOM 35 CA CYS A 35 257.908 249.048 255.298 1.00 0.00 C +ATOM 36 CA ARG A 36 254.825 249.888 253.224 1.00 0.00 C +ATOM 37 CA ALA A 37 253.173 246.600 252.234 1.00 0.00 C +ATOM 38 CA PRO A 38 255.009 244.760 249.449 1.00 0.00 C +ATOM 39 CA ALA A 39 257.568 242.987 247.252 1.00 0.00 C +ATOM 40 CA CYS A 40 261.041 241.431 247.430 1.00 0.00 C +ATOM 41 CA ARG A 41 264.030 242.152 249.680 1.00 0.00 C +ATOM 42 CA ALA A 42 263.505 240.514 253.079 1.00 0.00 C +ATOM 43 CA SER A 43 263.044 237.544 255.421 1.00 0.00 C +ATOM 44 CA ALA A 44 265.926 237.533 257.913 1.00 0.00 C +ATOM 45 CA GLY A 45 267.581 237.575 261.345 1.00 0.00 C +ATOM 46 CA ARG A 46 269.805 238.902 264.139 1.00 0.00 C +TER 47 ARG A 46 +END diff --git a/Bacteria/Q0FW99/Q0FW99.dcd b/Bacteria/Q0FW99/Q0FW99.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d163292b7e4d7eeec1088864d2b5b5bb943d22ed --- /dev/null +++ b/Bacteria/Q0FW99/Q0FW99.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:debe619d605848e2333fab5a73b92f3822a47ebeec6030e1ecdc97aac04f23c8 +size 6200276 diff --git a/Bacteria/Q0FW99/top.pdb b/Bacteria/Q0FW99/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f48cb9aa56da139f988dfa026b31f9a3db3bd1ca --- /dev/null +++ b/Bacteria/Q0FW99/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 1 239.077 237.419 239.294 1.00 0.00 C +ATOM 2 CA PRO A 2 239.446 239.013 242.735 1.00 0.00 C +ATOM 3 CA GLY A 3 242.424 238.373 245.024 1.00 0.00 C +ATOM 4 CA PRO A 4 244.997 238.600 247.825 1.00 0.00 C +ATOM 5 CA SER A 5 248.375 239.206 249.478 1.00 0.00 C +ATOM 6 CA ALA A 6 249.992 241.596 251.966 1.00 0.00 C +ATOM 7 CA SER A 7 247.732 242.503 254.895 1.00 0.00 C +ATOM 8 CA ARG A 8 246.302 244.823 257.558 1.00 0.00 C +ATOM 9 CA ARG A 9 243.605 245.263 260.213 1.00 0.00 C +ATOM 10 CA THR A 10 241.708 247.403 262.731 1.00 0.00 C +ATOM 11 CA CYS A 11 241.924 247.129 266.525 1.00 0.00 C +ATOM 12 CA SER A 12 242.363 245.296 269.836 1.00 0.00 C +ATOM 13 CA THR A 13 240.162 247.082 272.382 1.00 0.00 C +ATOM 14 CA ASN A 14 240.041 250.886 272.209 1.00 0.00 C +ATOM 15 CA PRO A 15 240.604 252.585 268.845 1.00 0.00 C +ATOM 16 CA ARG A 16 241.099 253.671 265.227 1.00 0.00 C +ATOM 17 CA THR A 17 241.782 253.476 261.484 1.00 0.00 C +ATOM 18 CA SER A 18 243.748 255.557 258.971 1.00 0.00 C +ATOM 19 CA TRP A 19 243.644 258.481 256.531 1.00 0.00 C +ATOM 20 CA ARG A 20 246.080 260.345 254.270 1.00 0.00 C +ATOM 21 CA GLY A 21 249.177 262.470 254.909 1.00 0.00 C +ATOM 22 CA ALA A 22 252.263 260.445 253.964 1.00 0.00 C +ATOM 23 CA ARG A 23 253.822 257.696 256.093 1.00 0.00 C +ATOM 24 CA TYR A 24 254.015 254.365 257.931 1.00 0.00 C +ATOM 25 CA SER A 25 256.531 252.103 256.180 1.00 0.00 C +ATOM 26 CA THR A 26 256.899 251.149 252.510 1.00 0.00 C +ATOM 27 CA THR A 27 254.067 250.007 250.231 1.00 0.00 C +ATOM 28 CA ALA A 28 252.460 251.121 246.961 1.00 0.00 C +ATOM 29 CA THR A 29 248.848 252.328 246.845 1.00 0.00 C +ATOM 30 CA ARG A 30 245.432 253.582 247.973 1.00 0.00 C +ATOM 31 CA SER A 31 244.761 257.275 247.319 1.00 0.00 C +ATOM 32 CA PRO A 32 247.972 258.904 246.075 1.00 0.00 C +ATOM 33 CA PRO A 33 251.720 259.528 246.361 1.00 0.00 C +ATOM 34 CA LEU A 34 253.276 257.954 243.260 1.00 0.00 C +ATOM 35 CA PRO A 35 255.149 259.196 240.183 1.00 0.00 C +ATOM 36 CA PRO A 36 257.743 256.804 238.746 1.00 0.00 C +ATOM 37 CA VAL A 37 260.671 254.955 240.335 1.00 0.00 C +ATOM 38 CA THR A 38 262.636 251.739 240.895 1.00 0.00 C +ATOM 39 CA ARG A 39 263.082 249.177 238.111 1.00 0.00 C +ATOM 40 CA ARG A 40 263.576 247.299 234.833 1.00 0.00 C +ATOM 41 CA PRO A 41 264.293 243.585 234.377 1.00 0.00 C +ATOM 42 CA PRO A 42 261.210 241.360 234.130 1.00 0.00 C +ATOM 43 CA ARG A 43 258.607 241.347 231.347 1.00 0.00 C +ATOM 44 CA PRO A 44 258.562 243.350 228.106 1.00 0.00 C +ATOM 45 CA ARG A 45 258.127 243.556 224.327 1.00 0.00 C +TER 46 ARG A 45 +END diff --git a/Bacteria/Q0FWA2/Q0FWA2.dcd b/Bacteria/Q0FWA2/Q0FWA2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..2a80be722a6268aebc786cf08ab5ae9aede92051 --- /dev/null +++ b/Bacteria/Q0FWA2/Q0FWA2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4aa76d2d0a29a7e7d082cb725e818d30ba161c040dec2c9a4e8e621a68c6e7d5 +size 9440276 diff --git a/Bacteria/Q0FWA2/top.pdb b/Bacteria/Q0FWA2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..aca8d78bac19078b986fcfcc6682eb124b56971b --- /dev/null +++ b/Bacteria/Q0FWA2/top.pdb @@ -0,0 +1,76 @@ +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 1 267.649 217.410 237.937 1.00 0.00 C +ATOM 2 CA LEU A 2 264.487 215.419 238.678 1.00 0.00 C +ATOM 3 CA PRO A 3 260.820 216.451 238.761 1.00 0.00 C +ATOM 4 CA ARG A 4 260.013 218.813 241.640 1.00 0.00 C +ATOM 5 CA PRO A 5 259.191 220.265 245.065 1.00 0.00 C +ATOM 6 CA VAL A 6 256.856 223.244 245.502 1.00 0.00 C +ATOM 7 CA PRO A 7 254.669 224.008 242.478 1.00 0.00 C +ATOM 8 CA GLY A 8 252.158 226.639 241.343 1.00 0.00 C +ATOM 9 CA ARG A 9 251.171 230.315 241.156 1.00 0.00 C +ATOM 10 CA CYS A 10 250.843 232.559 244.218 1.00 0.00 C +ATOM 11 CA ARG A 11 251.147 235.124 247.019 1.00 0.00 C +ATOM 12 CA ARG A 12 250.615 237.529 249.926 1.00 0.00 C +ATOM 13 CA ARG A 13 249.736 240.782 251.704 1.00 0.00 C +ATOM 14 CA SER A 14 248.716 243.535 249.276 1.00 0.00 C +ATOM 15 CA PRO A 15 249.054 247.291 249.824 1.00 0.00 C +ATOM 16 CA ARG A 16 246.943 249.429 252.167 1.00 0.00 C +ATOM 17 CA HIS A 17 247.237 251.838 255.104 1.00 0.00 C +ATOM 18 CA PRO A 18 249.934 254.513 255.390 1.00 0.00 C +ATOM 19 CA SER A 19 251.992 256.448 252.834 1.00 0.00 C +ATOM 20 CA PRO A 20 255.312 257.841 251.586 1.00 0.00 C +ATOM 21 CA PRO A 21 256.441 260.753 249.405 1.00 0.00 C +ATOM 22 CA ARG A 22 258.253 261.207 246.084 1.00 0.00 C +ATOM 23 CA ALA A 23 260.520 264.172 245.320 1.00 0.00 C +ATOM 24 CA ALA A 24 263.770 266.100 245.804 1.00 0.00 C +ATOM 25 CA PRO A 25 263.925 267.441 249.367 1.00 0.00 C +ATOM 26 CA PRO A 26 260.784 268.899 250.956 1.00 0.00 C +ATOM 27 CA THR A 27 257.725 270.691 249.561 1.00 0.00 C +ATOM 28 CA GLY A 28 255.800 271.933 246.517 1.00 0.00 C +ATOM 29 CA PRO A 29 257.262 275.205 245.221 1.00 0.00 C +ATOM 30 CA PRO A 30 255.365 277.722 243.080 1.00 0.00 C +ATOM 31 CA ALA A 31 252.336 279.750 241.972 1.00 0.00 C +ATOM 32 CA ARG A 32 251.984 282.856 244.150 1.00 0.00 C +ATOM 33 CA GLY A 33 252.171 281.964 247.849 1.00 0.00 C +ATOM 34 CA ARG A 34 249.380 279.417 248.342 1.00 0.00 C +ATOM 35 CA ARG A 35 246.276 279.289 250.548 1.00 0.00 C +ATOM 36 CA PRO A 36 242.886 277.551 250.560 1.00 0.00 C +ATOM 37 CA GLN A 37 240.902 278.113 247.357 1.00 0.00 C +ATOM 38 CA ALA A 38 241.778 275.234 245.022 1.00 0.00 C +ATOM 39 CA GLY A 39 240.269 273.967 241.761 1.00 0.00 C +ATOM 40 CA ARG A 40 238.633 270.739 240.569 1.00 0.00 C +ATOM 41 CA ALA A 41 235.421 269.144 241.855 1.00 0.00 C +ATOM 42 CA ARG A 42 233.289 266.317 243.261 1.00 0.00 C +ATOM 43 CA SER A 43 232.063 266.848 246.830 1.00 0.00 C +ATOM 44 CA ARG A 44 232.618 268.163 250.362 1.00 0.00 C +ATOM 45 CA PRO A 45 233.161 265.333 252.856 1.00 0.00 C +ATOM 46 CA CYS A 46 229.904 264.004 254.317 1.00 0.00 C +ATOM 47 CA GLY A 47 228.703 261.048 256.400 1.00 0.00 C +ATOM 48 CA PRO A 48 231.714 258.736 256.730 1.00 0.00 C +ATOM 49 CA ALA A 49 233.445 258.659 253.337 1.00 0.00 C +ATOM 50 CA HIS A 50 235.365 255.368 253.303 1.00 0.00 C +ATOM 51 CA ASN A 51 238.767 254.443 251.858 1.00 0.00 C +ATOM 52 CA ARG A 52 239.050 253.157 248.283 1.00 0.00 C +ATOM 53 CA ARG A 53 236.686 250.550 246.823 1.00 0.00 C +ATOM 54 CA CYS A 54 237.401 246.959 247.874 1.00 0.00 C +ATOM 55 CA LEU A 55 239.792 246.829 250.838 1.00 0.00 C +ATOM 56 CA CYS A 56 241.847 245.606 253.804 1.00 0.00 C +ATOM 57 CA ARG A 57 245.024 244.177 255.346 1.00 0.00 C +ATOM 58 CA ARG A 58 247.749 243.452 257.908 1.00 0.00 C +ATOM 59 CA PRO A 59 250.650 242.287 260.087 1.00 0.00 C +ATOM 60 CA PRO A 60 251.668 238.778 259.004 1.00 0.00 C +ATOM 61 CA PRO A 61 252.941 235.896 256.862 1.00 0.00 C +ATOM 62 CA ARG A 62 255.069 234.647 253.960 1.00 0.00 C +ATOM 63 CA HIS A 63 258.841 234.199 253.668 1.00 0.00 C +ATOM 64 CA ARG A 64 260.588 232.804 256.753 1.00 0.00 C +ATOM 65 CA ARG A 65 258.980 229.464 257.631 1.00 0.00 C +ATOM 66 CA SER A 66 258.226 229.099 261.348 1.00 0.00 C +ATOM 67 CA SER A 67 257.657 225.748 263.069 1.00 0.00 C +ATOM 68 CA ALA A 68 260.283 223.184 264.093 1.00 0.00 C +ATOM 69 CA ARG A 69 263.215 223.705 261.717 1.00 0.00 C +ATOM 70 CA ARG A 70 263.210 225.203 258.214 1.00 0.00 C +ATOM 71 CA ALA A 71 264.446 223.171 255.238 1.00 0.00 C +ATOM 72 CA SER A 72 267.225 220.566 255.314 1.00 0.00 C +TER 73 SER A 72 +END diff --git a/Bacteria/Q0FWA3/Q0FWA3.dcd b/Bacteria/Q0FWA3/Q0FWA3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8040f59285fdfc52aba7ce1c1643caebe109ac97 --- /dev/null +++ b/Bacteria/Q0FWA3/Q0FWA3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:07402e55b085d73bf00f3d7385d4e82bf95d24907659ccb7856acac64668e1ab +size 5600276 diff --git a/Bacteria/Q0FWA3/top.pdb b/Bacteria/Q0FWA3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..01e7c75dcb92d4e47fdc35fafc0b7473b1cb830d --- /dev/null +++ b/Bacteria/Q0FWA3/top.pdb @@ -0,0 +1,44 @@ +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 1 232.128 280.245 257.284 1.00 0.00 C +ATOM 2 CA ALA A 2 234.341 278.577 254.670 1.00 0.00 C +ATOM 3 CA ALA A 3 234.110 277.051 251.186 1.00 0.00 C +ATOM 4 CA GLY A 4 232.733 273.737 249.907 1.00 0.00 C +ATOM 5 CA PRO A 5 231.047 273.827 246.491 1.00 0.00 C +ATOM 6 CA ARG A 6 228.322 272.817 244.028 1.00 0.00 C +ATOM 7 CA CYS A 7 228.316 271.158 240.598 1.00 0.00 C +ATOM 8 CA ALA A 8 231.770 269.618 240.133 1.00 0.00 C +ATOM 9 CA ARG A 9 235.516 269.588 239.438 1.00 0.00 C +ATOM 10 CA THR A 10 237.081 266.713 237.488 1.00 0.00 C +ATOM 11 CA ALA A 11 239.981 264.244 237.386 1.00 0.00 C +ATOM 12 CA SER A 12 241.626 260.900 236.593 1.00 0.00 C +ATOM 13 CA SER A 13 242.456 257.271 235.782 1.00 0.00 C +ATOM 14 CA ARG A 14 240.875 253.817 236.073 1.00 0.00 C +ATOM 15 CA THR A 15 240.016 250.926 238.402 1.00 0.00 C +ATOM 16 CA VAL A 16 241.913 250.073 241.594 1.00 0.00 C +ATOM 17 CA SER A 17 243.515 246.642 242.015 1.00 0.00 C +ATOM 18 CA PRO A 18 241.516 243.453 241.427 1.00 0.00 C +ATOM 19 CA SER A 19 244.042 240.650 240.899 1.00 0.00 C +ATOM 20 CA MET A 20 244.986 237.504 238.968 1.00 0.00 C +ATOM 21 CA ALA A 21 248.518 236.627 240.095 1.00 0.00 C +ATOM 22 CA ALA A 22 248.786 234.398 243.173 1.00 0.00 C +ATOM 23 CA MET A 23 251.372 235.464 245.760 1.00 0.00 C +ATOM 24 CA PRO A 24 254.043 233.731 247.854 1.00 0.00 C +ATOM 25 CA SER A 25 257.805 234.332 247.835 1.00 0.00 C +ATOM 26 CA SER A 26 261.259 234.894 246.328 1.00 0.00 C +ATOM 27 CA SER A 27 264.847 233.615 246.261 1.00 0.00 C +ATOM 28 CA TRP A 28 266.076 232.839 249.783 1.00 0.00 C +ATOM 29 CA CYS A 29 264.632 235.538 252.053 1.00 0.00 C +ATOM 30 CA ARG A 30 266.051 235.240 255.576 1.00 0.00 C +ATOM 31 CA PRO A 31 266.150 235.199 259.384 1.00 0.00 C +ATOM 32 CA ARG A 32 264.519 233.482 262.369 1.00 0.00 C +ATOM 33 CA ARG A 33 262.858 235.482 265.154 1.00 0.00 C +ATOM 34 CA TRP A 34 264.920 237.421 267.704 1.00 0.00 C +ATOM 35 CA SER A 35 265.056 239.921 270.577 1.00 0.00 C +ATOM 36 CA ARG A 36 267.286 242.804 271.684 1.00 0.00 C +ATOM 37 CA CYS A 37 270.574 243.630 269.944 1.00 0.00 C +ATOM 38 CA PRO A 38 271.405 246.692 267.835 1.00 0.00 C +ATOM 39 CA THR A 39 269.500 249.947 268.371 1.00 0.00 C +ATOM 40 CA SER A 40 268.052 249.932 271.896 1.00 0.00 C +TER 41 SER A 40 +END diff --git a/Bacteria/Q0FWA6/Q0FWA6.dcd b/Bacteria/Q0FWA6/Q0FWA6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..3b03aa95ac88874a8368f14398d28ba5d7a27bdf --- /dev/null +++ b/Bacteria/Q0FWA6/Q0FWA6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cf5a294349e6bcb2d55c08424c187eb89d24974b79e4b0432d34a706145d6f7a +size 6320276 diff --git a/Bacteria/Q0FWA6/top.pdb b/Bacteria/Q0FWA6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..6a406afeb2ceae2c148ccd747c06ed4228bef456 --- /dev/null +++ b/Bacteria/Q0FWA6/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 1 262.670 229.844 227.945 1.00 0.00 C +ATOM 2 CA ARG A 2 259.699 232.228 228.039 1.00 0.00 C +ATOM 3 CA GLN A 3 258.903 235.568 229.691 1.00 0.00 C +ATOM 4 CA ARG A 4 257.280 238.559 231.403 1.00 0.00 C +ATOM 5 CA SER A 5 253.709 239.325 232.486 1.00 0.00 C +ATOM 6 CA SER A 6 251.382 237.262 234.686 1.00 0.00 C +ATOM 7 CA LEU A 7 251.551 234.412 237.209 1.00 0.00 C +ATOM 8 CA LEU A 8 252.589 233.251 240.687 1.00 0.00 C +ATOM 9 CA SER A 9 251.573 230.146 242.646 1.00 0.00 C +ATOM 10 CA SER A 10 248.204 229.088 244.078 1.00 0.00 C +ATOM 11 CA ARG A 11 247.060 230.247 247.522 1.00 0.00 C +ATOM 12 CA GLU A 12 245.267 232.860 249.638 1.00 0.00 C +ATOM 13 CA HIS A 13 243.448 232.076 252.892 1.00 0.00 C +ATOM 14 CA GLY A 14 243.194 234.648 255.692 1.00 0.00 C +ATOM 15 CA GLN A 15 243.683 237.787 257.794 1.00 0.00 C +ATOM 16 CA ALA A 16 246.148 239.929 259.758 1.00 0.00 C +ATOM 17 CA ASP A 17 244.946 243.209 261.278 1.00 0.00 C +ATOM 18 CA GLY A 18 246.856 245.983 263.061 1.00 0.00 C +ATOM 19 CA THR A 19 249.898 248.011 264.132 1.00 0.00 C +ATOM 20 CA ALA A 20 253.439 247.495 262.822 1.00 0.00 C +ATOM 21 CA ARG A 21 254.392 248.142 259.190 1.00 0.00 C +ATOM 22 CA ALA A 22 255.913 250.329 256.466 1.00 0.00 C +ATOM 23 CA GLN A 23 254.850 253.383 254.452 1.00 0.00 C +ATOM 24 CA GLU A 24 256.611 254.171 251.166 1.00 0.00 C +ATOM 25 CA LEU A 25 256.326 255.985 247.828 1.00 0.00 C +ATOM 26 CA CYS A 26 257.119 257.762 244.553 1.00 0.00 C +ATOM 27 CA ARG A 27 255.779 257.053 241.057 1.00 0.00 C +ATOM 28 CA PRO A 28 253.313 254.227 240.387 1.00 0.00 C +ATOM 29 CA ARG A 29 252.151 250.642 239.825 1.00 0.00 C +ATOM 30 CA PRO A 30 248.507 250.623 240.938 1.00 0.00 C +ATOM 31 CA ALA A 31 244.819 251.282 241.626 1.00 0.00 C +ATOM 32 CA ARG A 32 244.481 253.642 244.598 1.00 0.00 C +ATOM 33 CA ARG A 33 246.079 256.541 246.485 1.00 0.00 C +ATOM 34 CA TYR A 34 247.090 260.201 246.177 1.00 0.00 C +ATOM 35 CA PRO A 35 250.716 261.335 245.890 1.00 0.00 C +ATOM 36 CA ASP A 36 252.637 263.122 248.654 1.00 0.00 C +ATOM 37 CA HIS A 37 250.820 264.703 251.606 1.00 0.00 C +ATOM 38 CA ARG A 38 250.962 262.874 254.945 1.00 0.00 C +ATOM 39 CA ARG A 39 248.461 262.528 257.798 1.00 0.00 C +ATOM 40 CA PRO A 40 245.478 263.944 259.699 1.00 0.00 C +ATOM 41 CA ARG A 41 244.609 265.506 263.064 1.00 0.00 C +ATOM 42 CA ALA A 42 244.816 269.236 263.811 1.00 0.00 C +ATOM 43 CA LEU A 43 243.413 272.165 265.803 1.00 0.00 C +ATOM 44 CA ARG A 44 245.051 274.194 268.581 1.00 0.00 C +ATOM 45 CA GLY A 45 243.910 277.256 270.539 1.00 0.00 C +ATOM 46 CA ASP A 46 240.199 277.228 271.401 1.00 0.00 C +TER 47 ASP A 46 +END diff --git a/Bacteria/Q0FWB0/Q0FWB0.dcd b/Bacteria/Q0FWB0/Q0FWB0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..853cbc233ea2bc72af6c1dd4799e9ed6920b88d6 --- /dev/null +++ b/Bacteria/Q0FWB0/Q0FWB0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:163b5c383aff2a822fa27a525a1f63b206e7dd480cd4186c82a0f5ba76e0555d +size 7400276 diff --git a/Bacteria/Q0FWB0/top.pdb b/Bacteria/Q0FWB0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..dec283e32ad9593173174fbd800f9dbb3cf0ca5c --- /dev/null +++ b/Bacteria/Q0FWB0/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 1 245.996 271.842 226.449 1.00 0.00 C +ATOM 2 CA SER A 2 242.740 270.187 225.365 1.00 0.00 C +ATOM 3 CA ASP A 3 239.031 269.542 225.950 1.00 0.00 C +ATOM 4 CA SER A 4 235.410 270.412 226.755 1.00 0.00 C +ATOM 5 CA VAL A 5 233.809 269.252 230.013 1.00 0.00 C +ATOM 6 CA ARG A 6 231.872 265.971 230.015 1.00 0.00 C +ATOM 7 CA PRO A 7 231.109 262.316 230.772 1.00 0.00 C +ATOM 8 CA SER A 8 231.537 258.674 231.805 1.00 0.00 C +ATOM 9 CA SER A 9 228.919 258.121 234.518 1.00 0.00 C +ATOM 10 CA ARG A 10 228.179 259.299 238.066 1.00 0.00 C +ATOM 11 CA ARG A 11 226.426 261.150 240.897 1.00 0.00 C +ATOM 12 CA ILE A 12 224.265 263.549 242.920 1.00 0.00 C +ATOM 13 CA PRO A 13 225.001 264.295 246.583 1.00 0.00 C +ATOM 14 CA ALA A 14 225.099 261.004 248.500 1.00 0.00 C +ATOM 15 CA ALA A 15 225.656 257.235 248.460 1.00 0.00 C +ATOM 16 CA ALA A 16 228.422 254.832 247.416 1.00 0.00 C +ATOM 17 CA ASN A 17 232.190 254.569 247.917 1.00 0.00 C +ATOM 18 CA SER A 18 233.996 255.260 244.635 1.00 0.00 C +ATOM 19 CA SER A 19 236.935 253.379 243.105 1.00 0.00 C +ATOM 20 CA TRP A 20 239.458 253.059 245.942 1.00 0.00 C +ATOM 21 CA ARG A 21 243.155 252.622 245.130 1.00 0.00 C +ATOM 22 CA SER A 22 246.265 251.017 246.635 1.00 0.00 C +ATOM 23 CA ARG A 23 248.871 253.765 247.056 1.00 0.00 C +ATOM 24 CA PRO A 24 252.294 252.135 247.427 1.00 0.00 C +ATOM 25 CA SER A 25 256.038 252.821 247.245 1.00 0.00 C +ATOM 26 CA SER A 26 258.207 254.859 244.867 1.00 0.00 C +ATOM 27 CA ALA A 27 259.464 255.375 241.308 1.00 0.00 C +ATOM 28 CA ARG A 28 257.461 254.543 238.175 1.00 0.00 C +ATOM 29 CA SER A 29 256.594 250.835 238.049 1.00 0.00 C +ATOM 30 CA ARG A 30 256.585 248.934 241.351 1.00 0.00 C +ATOM 31 CA MET A 31 256.636 245.330 242.585 1.00 0.00 C +ATOM 32 CA ARG A 32 258.092 242.760 244.993 1.00 0.00 C +ATOM 33 CA GLY A 33 258.680 243.893 248.582 1.00 0.00 C +ATOM 34 CA SER A 34 262.343 243.369 249.490 1.00 0.00 C +ATOM 35 CA ARG A 35 262.553 240.991 252.459 1.00 0.00 C +ATOM 36 CA SER A 36 260.052 240.591 255.305 1.00 0.00 C +ATOM 37 CA THR A 37 261.557 240.351 258.797 1.00 0.00 C +ATOM 38 CA ILE A 38 258.873 238.921 261.091 1.00 0.00 C +ATOM 39 CA SER A 39 256.169 241.425 262.058 1.00 0.00 C +ATOM 40 CA THR A 40 255.453 243.920 264.847 1.00 0.00 C +ATOM 41 CA VAL A 41 254.937 246.357 267.730 1.00 0.00 C +ATOM 42 CA TRP A 42 254.857 245.904 271.512 1.00 0.00 C +ATOM 43 CA CYS A 43 258.370 246.566 272.828 1.00 0.00 C +ATOM 44 CA ALA A 44 262.140 247.097 272.670 1.00 0.00 C +ATOM 45 CA THR A 45 264.770 247.156 269.914 1.00 0.00 C +ATOM 46 CA LEU A 46 266.082 243.959 268.310 1.00 0.00 C +ATOM 47 CA GLY A 47 268.960 243.024 265.995 1.00 0.00 C +ATOM 48 CA THR A 48 271.496 240.285 266.757 1.00 0.00 C +ATOM 49 CA THR A 49 270.693 236.585 267.183 1.00 0.00 C +ATOM 50 CA ARG A 50 268.866 235.386 264.063 1.00 0.00 C +ATOM 51 CA PRO A 51 267.814 232.283 262.118 1.00 0.00 C +ATOM 52 CA ARG A 52 267.378 229.022 264.040 1.00 0.00 C +ATOM 53 CA ARG A 53 265.847 225.658 264.966 1.00 0.00 C +ATOM 54 CA ARG A 54 266.461 224.658 268.591 1.00 0.00 C +ATOM 55 CA SER A 55 269.935 223.657 269.791 1.00 0.00 C +TER 56 SER A 55 +END diff --git a/Bacteria/Q0FWB1/Q0FWB1.dcd b/Bacteria/Q0FWB1/Q0FWB1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..79907324c6c0640c5510349e551612b6d49e0366 --- /dev/null +++ b/Bacteria/Q0FWB1/Q0FWB1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e2c3d06b1d22ad3ae8630a2ad0db8fdad9aaff84052ddefa1fe1c20b0911f613 +size 5120276 diff --git a/Bacteria/Q0FWB1/top.pdb b/Bacteria/Q0FWB1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7931be30fc96c2ee252b775d48fb8b337edbf272 --- /dev/null +++ b/Bacteria/Q0FWB1/top.pdb @@ -0,0 +1,40 @@ +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 1 271.051 233.299 233.663 1.00 0.00 C +ATOM 2 CA SER A 2 267.318 233.470 234.405 1.00 0.00 C +ATOM 3 CA PRO A 3 266.632 237.120 235.252 1.00 0.00 C +ATOM 4 CA GLY A 4 265.272 240.638 234.711 1.00 0.00 C +ATOM 5 CA GLY A 5 263.433 242.415 237.536 1.00 0.00 C +ATOM 6 CA SER A 6 261.758 244.772 240.016 1.00 0.00 C +ATOM 7 CA GLY A 7 261.690 244.448 243.811 1.00 0.00 C +ATOM 8 CA TRP A 8 259.244 242.080 245.521 1.00 0.00 C +ATOM 9 CA ARG A 9 257.029 239.334 244.083 1.00 0.00 C +ATOM 10 CA GLU A 10 254.188 240.184 241.691 1.00 0.00 C +ATOM 11 CA THR A 11 250.957 238.311 240.935 1.00 0.00 C +ATOM 12 CA SER A 12 248.256 237.160 243.364 1.00 0.00 C +ATOM 13 CA GLN A 13 245.306 234.755 243.509 1.00 0.00 C +ATOM 14 CA SER A 14 242.181 236.084 241.782 1.00 0.00 C +ATOM 15 CA PRO A 15 239.249 236.234 244.211 1.00 0.00 C +ATOM 16 CA SER A 16 238.404 239.124 246.546 1.00 0.00 C +ATOM 17 CA SER A 17 240.930 241.379 248.292 1.00 0.00 C +ATOM 18 CA ALA A 18 242.797 244.553 249.268 1.00 0.00 C +ATOM 19 CA SER A 19 244.487 246.393 252.145 1.00 0.00 C +ATOM 20 CA THR A 20 247.189 247.466 254.607 1.00 0.00 C +ATOM 21 CA ARG A 21 247.736 246.619 258.281 1.00 0.00 C +ATOM 22 CA SER A 22 244.669 246.164 260.496 1.00 0.00 C +ATOM 23 CA PRO A 23 242.429 249.246 260.526 1.00 0.00 C +ATOM 24 CA ARG A 24 243.231 252.726 261.853 1.00 0.00 C +ATOM 25 CA PRO A 25 240.987 254.142 264.587 1.00 0.00 C +ATOM 26 CA LYS A 26 238.832 257.274 264.834 1.00 0.00 C +ATOM 27 CA ARG A 27 237.851 260.026 262.388 1.00 0.00 C +ATOM 28 CA THR A 28 240.066 262.147 260.127 1.00 0.00 C +ATOM 29 CA PRO A 29 242.836 264.368 261.507 1.00 0.00 C +ATOM 30 CA ASP A 30 246.237 264.528 259.795 1.00 0.00 C +ATOM 31 CA ARG A 31 248.053 267.865 260.074 1.00 0.00 C +ATOM 32 CA ALA A 32 250.105 270.220 257.892 1.00 0.00 C +ATOM 33 CA LEU A 33 251.883 271.474 254.764 1.00 0.00 C +ATOM 34 CA SER A 34 251.782 275.279 254.932 1.00 0.00 C +ATOM 35 CA ALA A 35 253.132 277.872 252.488 1.00 0.00 C +ATOM 36 CA ARG A 36 252.799 280.830 250.110 1.00 0.00 C +TER 37 ARG A 36 +END diff --git a/Bacteria/Q0FWD0/Q0FWD0.dcd b/Bacteria/Q0FWD0/Q0FWD0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..452ab6c6969608a5a488f096eea91c33cdf159c1 --- /dev/null +++ b/Bacteria/Q0FWD0/Q0FWD0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:99f5af028cb088b315ccbcb2c8f82a57b83ce632557f5554d5435b970c5ccee7 +size 5120276 diff --git a/Bacteria/Q0FWD0/top.pdb b/Bacteria/Q0FWD0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d20371dbad5a73d38703a68b48016a213fd216b7 --- /dev/null +++ b/Bacteria/Q0FWD0/top.pdb @@ -0,0 +1,40 @@ +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 1 245.897 238.191 230.004 1.00 0.00 C +ATOM 2 CA LYS A 2 244.866 239.955 233.220 1.00 0.00 C +ATOM 3 CA SER A 3 244.561 243.113 235.330 1.00 0.00 C +ATOM 4 CA HIS A 4 244.939 245.881 237.920 1.00 0.00 C +ATOM 5 CA SER A 5 246.030 248.273 240.678 1.00 0.00 C +ATOM 6 CA HIS A 6 249.839 248.255 240.761 1.00 0.00 C +ATOM 7 CA ALA A 7 251.315 251.739 241.209 1.00 0.00 C +ATOM 8 CA SER A 8 250.846 254.709 238.869 1.00 0.00 C +ATOM 9 CA ALA A 9 252.806 257.321 236.905 1.00 0.00 C +ATOM 10 CA ARG A 10 256.079 259.231 237.292 1.00 0.00 C +ATOM 11 CA PRO A 11 256.388 262.570 239.103 1.00 0.00 C +ATOM 12 CA TRP A 12 253.562 264.063 241.176 1.00 0.00 C +ATOM 13 CA SER A 13 250.535 266.366 240.954 1.00 0.00 C +ATOM 14 CA VAL A 14 247.302 265.292 239.249 1.00 0.00 C +ATOM 15 CA GLY A 15 244.547 262.943 240.435 1.00 0.00 C +ATOM 16 CA VAL A 16 242.093 260.232 241.505 1.00 0.00 C +ATOM 17 CA PRO A 17 239.460 257.922 243.003 1.00 0.00 C +ATOM 18 CA ALA A 18 237.593 254.615 242.697 1.00 0.00 C +ATOM 19 CA SER A 19 239.508 251.387 243.352 1.00 0.00 C +ATOM 20 CA GLY A 20 241.087 251.088 246.807 1.00 0.00 C +ATOM 21 CA SER A 21 240.356 249.170 250.017 1.00 0.00 C +ATOM 22 CA VAL A 22 243.285 249.593 252.416 1.00 0.00 C +ATOM 23 CA MET A 23 246.391 251.769 252.047 1.00 0.00 C +ATOM 24 CA ARG A 24 249.848 250.167 252.009 1.00 0.00 C +ATOM 25 CA CYS A 25 251.240 249.538 255.499 1.00 0.00 C +ATOM 26 CA PRO A 26 254.441 247.785 256.593 1.00 0.00 C +ATOM 27 CA PRO A 27 254.590 247.757 260.400 1.00 0.00 C +ATOM 28 CA LEU A 28 255.623 247.219 264.027 1.00 0.00 C +ATOM 29 CA ALA A 29 259.092 246.053 265.085 1.00 0.00 C +ATOM 30 CA PRO A 30 261.334 243.892 267.281 1.00 0.00 C +ATOM 31 CA PRO A 31 259.915 240.381 267.697 1.00 0.00 C +ATOM 32 CA ALA A 32 258.459 236.883 267.301 1.00 0.00 C +ATOM 33 CA PRO A 33 255.794 236.573 270.006 1.00 0.00 C +ATOM 34 CA CYS A 34 255.983 237.434 273.712 1.00 0.00 C +ATOM 35 CA LEU A 35 256.845 240.032 276.363 1.00 0.00 C +ATOM 36 CA ARG A 36 257.549 242.608 279.080 1.00 0.00 C +TER 37 ARG A 36 +END diff --git a/Bacteria/Q0FWD1/Q0FWD1.dcd b/Bacteria/Q0FWD1/Q0FWD1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..aa672b3cfd730297dec90e81251245a3ec64741b --- /dev/null +++ b/Bacteria/Q0FWD1/Q0FWD1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9aba17025540aea2f1da77ef7bd99dc2cb66a03d714a56f8ea8c68bd59f9f874 +size 5000276 diff --git a/Bacteria/Q0FWD1/top.pdb b/Bacteria/Q0FWD1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4f6a2940a83c765c011ac8a9d4ccaf414c5a540c --- /dev/null +++ b/Bacteria/Q0FWD1/top.pdb @@ -0,0 +1,39 @@ +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 1 223.475 230.820 257.905 1.00 0.00 C +ATOM 2 CA LEU A 2 223.346 234.357 259.315 1.00 0.00 C +ATOM 3 CA PRO A 3 224.633 237.773 258.224 1.00 0.00 C +ATOM 4 CA GLU A 4 226.564 240.940 259.095 1.00 0.00 C +ATOM 5 CA ARG A 5 228.073 243.982 257.367 1.00 0.00 C +ATOM 6 CA PRO A 6 230.055 246.944 256.021 1.00 0.00 C +ATOM 7 CA ARG A 7 233.495 248.348 256.865 1.00 0.00 C +ATOM 8 CA ALA A 8 234.862 250.747 254.240 1.00 0.00 C +ATOM 9 CA GLU A 9 233.706 253.964 252.556 1.00 0.00 C +ATOM 10 CA ALA A 10 234.578 255.606 249.231 1.00 0.00 C +ATOM 11 CA SER A 11 237.784 255.868 247.189 1.00 0.00 C +ATOM 12 CA ALA A 12 239.211 252.425 246.396 1.00 0.00 C +ATOM 13 CA GLY A 13 241.131 251.686 243.189 1.00 0.00 C +ATOM 14 CA ARG A 14 244.892 252.132 243.602 1.00 0.00 C +ATOM 15 CA ARG A 15 247.434 249.749 245.144 1.00 0.00 C +ATOM 16 CA ASP A 16 247.015 248.713 248.786 1.00 0.00 C +ATOM 17 CA ARG A 17 248.156 250.636 251.871 1.00 0.00 C +ATOM 18 CA ASN A 18 251.067 253.067 252.232 1.00 0.00 C +ATOM 19 CA ARG A 19 254.219 251.774 253.937 1.00 0.00 C +ATOM 20 CA ARG A 20 256.038 253.692 256.680 1.00 0.00 C +ATOM 21 CA PRO A 21 254.640 257.236 256.621 1.00 0.00 C +ATOM 22 CA ALA A 22 256.672 260.452 256.831 1.00 0.00 C +ATOM 23 CA MET A 23 258.455 261.476 253.624 1.00 0.00 C +ATOM 24 CA SER A 24 261.686 263.477 253.350 1.00 0.00 C +ATOM 25 CA GLY A 25 264.485 260.942 252.846 1.00 0.00 C +ATOM 26 CA ARG A 26 265.155 258.877 249.715 1.00 0.00 C +ATOM 27 CA ALA A 27 264.413 255.299 248.636 1.00 0.00 C +ATOM 28 CA ARG A 28 266.212 251.969 249.065 1.00 0.00 C +ATOM 29 CA THR A 29 269.555 251.782 247.246 1.00 0.00 C +ATOM 30 CA THR A 30 270.428 248.447 245.626 1.00 0.00 C +ATOM 31 CA GLN A 31 271.264 247.321 242.083 1.00 0.00 C +ATOM 32 CA GLY A 32 273.325 244.718 240.213 1.00 0.00 C +ATOM 33 CA GLY A 33 272.563 243.788 236.598 1.00 0.00 C +ATOM 34 CA PRO A 34 272.548 240.824 234.204 1.00 0.00 C +ATOM 35 CA GLN A 35 268.863 240.167 233.496 1.00 0.00 C +TER 36 GLN A 35 +END diff --git a/Bacteria/Q0FWD3/Q0FWD3.dcd b/Bacteria/Q0FWD3/Q0FWD3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..12076c34b5062cb4360c7ed98e68ab4d0f485d1c --- /dev/null +++ b/Bacteria/Q0FWD3/Q0FWD3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:58b3f9194a230b1f09b90d16dd36d36c410b167f82166e2a331c017381fda242 +size 5600276 diff --git a/Bacteria/Q0FWD3/top.pdb b/Bacteria/Q0FWD3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..51496af4df716cafdb62961e87365c84b38a0550 --- /dev/null +++ b/Bacteria/Q0FWD3/top.pdb @@ -0,0 +1,44 @@ +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 1 241.565 236.785 262.340 1.00 0.00 C +ATOM 2 CA ASP A 2 238.862 239.316 261.445 1.00 0.00 C +ATOM 3 CA HIS A 3 236.727 239.634 264.584 1.00 0.00 C +ATOM 4 CA LEU A 4 235.892 241.270 267.923 1.00 0.00 C +ATOM 5 CA SER A 5 237.465 241.024 271.384 1.00 0.00 C +ATOM 6 CA PRO A 6 240.375 243.247 272.435 1.00 0.00 C +ATOM 7 CA GLY A 7 241.488 245.053 269.270 1.00 0.00 C +ATOM 8 CA ARG A 8 241.620 245.892 265.556 1.00 0.00 C +ATOM 9 CA PRO A 9 243.395 243.608 263.076 1.00 0.00 C +ATOM 10 CA ARG A 10 246.899 242.576 261.993 1.00 0.00 C +ATOM 11 CA ARG A 11 246.845 239.756 259.431 1.00 0.00 C +ATOM 12 CA PRO A 12 249.154 236.798 258.772 1.00 0.00 C +ATOM 13 CA GLU A 13 252.780 237.283 259.837 1.00 0.00 C +ATOM 14 CA GLY A 14 255.442 234.644 259.157 1.00 0.00 C +ATOM 15 CA SER A 15 257.271 234.934 255.827 1.00 0.00 C +ATOM 16 CA ARG A 16 260.082 233.751 253.543 1.00 0.00 C +ATOM 17 CA THR A 17 260.390 236.083 250.546 1.00 0.00 C +ATOM 18 CA SER A 18 259.594 239.547 251.918 1.00 0.00 C +ATOM 19 CA ARG A 19 255.817 240.036 252.050 1.00 0.00 C +ATOM 20 CA ARG A 20 254.331 243.509 251.556 1.00 0.00 C +ATOM 21 CA ALA A 21 252.761 246.034 249.174 1.00 0.00 C +ATOM 22 CA ARG A 22 251.308 249.373 248.053 1.00 0.00 C +ATOM 23 CA ARG A 23 251.304 250.016 244.298 1.00 0.00 C +ATOM 24 CA PRO A 24 251.242 251.770 240.916 1.00 0.00 C +ATOM 25 CA PRO A 25 253.020 250.829 237.680 1.00 0.00 C +ATOM 26 CA SER A 26 255.017 252.662 235.002 1.00 0.00 C +ATOM 27 CA ARG A 27 254.427 255.618 232.672 1.00 0.00 C +ATOM 28 CA ARG A 28 251.637 257.612 231.013 1.00 0.00 C +ATOM 29 CA ARG A 29 249.154 260.435 230.396 1.00 0.00 C +ATOM 30 CA GLN A 30 245.663 260.585 231.914 1.00 0.00 C +ATOM 31 CA ARG A 31 246.106 262.607 235.113 1.00 0.00 C +ATOM 32 CA SER A 32 248.717 260.664 237.095 1.00 0.00 C +ATOM 33 CA CYS A 33 252.400 260.210 237.958 1.00 0.00 C +ATOM 34 CA SER A 34 254.968 261.225 240.582 1.00 0.00 C +ATOM 35 CA ARG A 35 255.866 263.797 243.246 1.00 0.00 C +ATOM 36 CA PRO A 36 257.294 267.201 242.304 1.00 0.00 C +ATOM 37 CA PRO A 37 257.309 270.971 242.855 1.00 0.00 C +ATOM 38 CA SER A 38 253.756 272.116 243.616 1.00 0.00 C +ATOM 39 CA ARG A 39 252.289 275.602 243.153 1.00 0.00 C +ATOM 40 CA PRO A 40 249.770 275.930 240.314 1.00 0.00 C +TER 41 PRO A 40 +END diff --git a/Bacteria/Q0FWD4/Q0FWD4.dcd b/Bacteria/Q0FWD4/Q0FWD4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..ec97447e7dcb61be6933c83b105f5e50608c5a6d --- /dev/null +++ b/Bacteria/Q0FWD4/Q0FWD4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0b240e9d31c34d0a1b4194ecff143960e6d524f710876a1ead2268c2e63732ec +size 4760276 diff --git a/Bacteria/Q0FWD4/top.pdb b/Bacteria/Q0FWD4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8d1c003cc7507790047884ec1e1569c367be8f09 --- /dev/null +++ b/Bacteria/Q0FWD4/top.pdb @@ -0,0 +1,37 @@ +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 1 243.087 239.316 259.460 1.00 0.00 C +ATOM 2 CA ARG A 2 246.039 237.970 261.458 1.00 0.00 C +ATOM 3 CA LEU A 3 248.964 235.640 260.730 1.00 0.00 C +ATOM 4 CA PRO A 4 248.910 234.938 256.985 1.00 0.00 C +ATOM 5 CA SER A 5 245.501 235.097 255.292 1.00 0.00 C +ATOM 6 CA GLY A 6 242.595 236.555 253.304 1.00 0.00 C +ATOM 7 CA ARG A 7 241.686 239.104 250.622 1.00 0.00 C +ATOM 8 CA LEU A 8 242.136 242.602 252.064 1.00 0.00 C +ATOM 9 CA GLY A 9 243.222 245.661 254.059 1.00 0.00 C +ATOM 10 CA ARG A 10 245.673 248.138 252.520 1.00 0.00 C +ATOM 11 CA PRO A 11 248.012 246.124 250.288 1.00 0.00 C +ATOM 12 CA GLY A 12 251.404 247.681 249.524 1.00 0.00 C +ATOM 13 CA LEU A 13 253.895 249.138 247.036 1.00 0.00 C +ATOM 14 CA ARG A 14 257.692 249.115 247.348 1.00 0.00 C +ATOM 15 CA TRP A 15 258.945 245.595 246.598 1.00 0.00 C +ATOM 16 CA SER A 16 262.553 246.010 245.446 1.00 0.00 C +ATOM 17 CA THR A 17 264.433 248.644 243.435 1.00 0.00 C +ATOM 18 CA LEU A 18 265.098 252.286 242.537 1.00 0.00 C +ATOM 19 CA LYS A 19 262.798 255.261 243.149 1.00 0.00 C +ATOM 20 CA THR A 20 262.522 258.198 245.561 1.00 0.00 C +ATOM 21 CA GLN A 21 259.877 259.115 248.145 1.00 0.00 C +ATOM 22 CA ASP A 22 258.564 257.997 251.542 1.00 0.00 C +ATOM 23 CA GLY A 23 255.306 256.415 252.724 1.00 0.00 C +ATOM 24 CA ASP A 24 253.014 253.809 251.151 1.00 0.00 C +ATOM 25 CA THR A 25 249.473 253.617 249.758 1.00 0.00 C +ATOM 26 CA GLY A 26 247.487 255.738 247.294 1.00 0.00 C +ATOM 27 CA GLY A 27 247.979 258.878 245.192 1.00 0.00 C +ATOM 28 CA CYS A 28 245.546 260.122 242.537 1.00 0.00 C +ATOM 29 CA ARG A 29 242.437 261.281 244.410 1.00 0.00 C +ATOM 30 CA ARG A 30 238.709 261.254 245.195 1.00 0.00 C +ATOM 31 CA TRP A 31 237.491 260.722 248.765 1.00 0.00 C +ATOM 32 CA SER A 32 240.116 259.396 251.188 1.00 0.00 C +ATOM 33 CA VAL A 33 238.836 258.581 254.683 1.00 0.00 C +TER 34 VAL A 33 +END diff --git a/Bacteria/Q0FWE1/Q0FWE1.dcd b/Bacteria/Q0FWE1/Q0FWE1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..86c54f166ddc3cbaf85996fc64285e992b512b4f --- /dev/null +++ b/Bacteria/Q0FWE1/Q0FWE1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6052f512575405dba6b4c2aa8e896cefaacc2b3b471cd82353c5d64466aa8d04 +size 4760276 diff --git a/Bacteria/Q0FWE1/top.pdb b/Bacteria/Q0FWE1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..fe8eb263118df95ba4d7e8c50f1ea8584601d8d4 --- /dev/null +++ b/Bacteria/Q0FWE1/top.pdb @@ -0,0 +1,37 @@ +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 1 256.789 259.885 263.632 1.00 0.00 C +ATOM 2 CA THR A 2 253.910 257.668 264.778 1.00 0.00 C +ATOM 3 CA ALA A 3 251.498 259.035 267.392 1.00 0.00 C +ATOM 4 CA PRO A 4 248.009 258.588 265.928 1.00 0.00 C +ATOM 5 CA GLY A 5 244.825 259.321 263.968 1.00 0.00 C +ATOM 6 CA CYS A 6 244.257 256.990 261.008 1.00 0.00 C +ATOM 7 CA VAL A 7 246.629 254.052 261.518 1.00 0.00 C +ATOM 8 CA ARG A 8 248.127 250.607 262.154 1.00 0.00 C +ATOM 9 CA GLY A 9 251.598 250.254 260.625 1.00 0.00 C +ATOM 10 CA TRP A 10 252.706 253.605 259.189 1.00 0.00 C +ATOM 11 CA ALA A 11 250.966 256.664 257.730 1.00 0.00 C +ATOM 12 CA LEU A 12 251.253 259.001 254.734 1.00 0.00 C +ATOM 13 CA ASN A 13 254.957 259.445 253.958 1.00 0.00 C +ATOM 14 CA SER A 14 256.336 256.331 252.250 1.00 0.00 C +ATOM 15 CA ARG A 15 255.042 253.108 250.683 1.00 0.00 C +ATOM 16 CA ALA A 16 255.528 251.931 247.092 1.00 0.00 C +ATOM 17 CA GLY A 17 253.991 248.446 246.987 1.00 0.00 C +ATOM 18 CA ARG A 18 251.215 248.339 244.379 1.00 0.00 C +ATOM 19 CA ARG A 19 251.711 250.411 241.221 1.00 0.00 C +ATOM 20 CA SER A 20 254.435 249.113 238.894 1.00 0.00 C +ATOM 21 CA THR A 21 257.003 246.336 238.435 1.00 0.00 C +ATOM 22 CA SER A 22 257.214 243.490 235.909 1.00 0.00 C +ATOM 23 CA ALA A 23 256.754 239.744 235.394 1.00 0.00 C +ATOM 24 CA GLY A 24 254.625 237.276 237.369 1.00 0.00 C +ATOM 25 CA PRO A 25 252.114 238.370 240.017 1.00 0.00 C +ATOM 26 CA PRO A 26 249.529 239.063 242.729 1.00 0.00 C +ATOM 27 CA SER A 27 248.953 241.988 245.101 1.00 0.00 C +ATOM 28 CA ALA A 28 246.087 243.546 247.068 1.00 0.00 C +ATOM 29 CA PRO A 29 243.475 245.653 245.264 1.00 0.00 C +ATOM 30 CA ARG A 30 241.569 247.566 242.576 1.00 0.00 C +ATOM 31 CA THR A 31 237.802 247.209 243.022 1.00 0.00 C +ATOM 32 CA ALA A 32 236.125 245.094 240.333 1.00 0.00 C +ATOM 33 CA THR A 33 234.969 241.870 238.664 1.00 0.00 C +TER 34 THR A 33 +END diff --git a/Bacteria/Q0FWF1/Q0FWF1.dcd b/Bacteria/Q0FWF1/Q0FWF1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..55b855eb4f7b402051e994caeea7af07794c42af --- /dev/null +++ b/Bacteria/Q0FWF1/Q0FWF1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3bc03938219c1940c3add12e549ce9c0d2390a65c47559e6ee415b21f582e8a8 +size 7400276 diff --git a/Bacteria/Q0FWF1/top.pdb b/Bacteria/Q0FWF1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4b10a7218fb2bfc08a6673cfe4a05354815b5599 --- /dev/null +++ b/Bacteria/Q0FWF1/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 1 265.782 265.967 216.091 1.00 0.00 C +ATOM 2 CA SER A 2 264.960 263.846 219.147 1.00 0.00 C +ATOM 3 CA GLY A 3 265.942 260.188 218.731 1.00 0.00 C +ATOM 4 CA HIS A 4 263.812 257.257 219.908 1.00 0.00 C +ATOM 5 CA GLY A 5 263.949 256.856 223.694 1.00 0.00 C +ATOM 6 CA PRO A 6 260.801 257.274 225.799 1.00 0.00 C +ATOM 7 CA PRO A 7 257.163 258.231 225.196 1.00 0.00 C +ATOM 8 CA GLN A 8 254.162 260.397 224.289 1.00 0.00 C +ATOM 9 CA ALA A 9 251.268 260.120 226.751 1.00 0.00 C +ATOM 10 CA ILE A 10 248.693 258.805 229.233 1.00 0.00 C +ATOM 11 CA ALA A 11 249.768 259.284 232.857 1.00 0.00 C +ATOM 12 CA GLU A 12 246.637 260.558 234.616 1.00 0.00 C +ATOM 13 CA GLY A 13 244.628 257.491 235.651 1.00 0.00 C +ATOM 14 CA LEU A 14 244.137 254.648 238.139 1.00 0.00 C +ATOM 15 CA PHE A 15 242.895 256.331 241.324 1.00 0.00 C +ATOM 16 CA THR A 16 239.951 254.731 243.138 1.00 0.00 C +ATOM 17 CA SER A 17 238.289 253.472 246.327 1.00 0.00 C +ATOM 18 CA VAL A 18 241.176 252.945 248.756 1.00 0.00 C +ATOM 19 CA THR A 19 241.117 253.908 252.442 1.00 0.00 C +ATOM 20 CA ARG A 20 241.630 250.857 254.666 1.00 0.00 C +ATOM 21 CA ARG A 21 243.604 247.605 254.455 1.00 0.00 C +ATOM 22 CA PRO A 22 241.027 244.800 254.537 1.00 0.00 C +ATOM 23 CA SER A 23 239.052 241.710 255.570 1.00 0.00 C +ATOM 24 CA PRO A 24 239.828 239.948 258.858 1.00 0.00 C +ATOM 25 CA ALA A 25 242.424 240.958 261.458 1.00 0.00 C +ATOM 26 CA ARG A 26 244.130 243.326 263.907 1.00 0.00 C +ATOM 27 CA ARG A 27 244.076 245.310 267.159 1.00 0.00 C +ATOM 28 CA ARG A 28 241.259 245.771 269.683 1.00 0.00 C +ATOM 29 CA LYS A 29 239.467 249.068 270.341 1.00 0.00 C +ATOM 30 CA ALA A 30 240.184 251.882 267.874 1.00 0.00 C +ATOM 31 CA ALA A 31 241.612 254.186 265.196 1.00 0.00 C +ATOM 32 CA PRO A 32 241.772 255.296 261.555 1.00 0.00 C +ATOM 33 CA ARG A 33 240.865 258.729 260.172 1.00 0.00 C +ATOM 34 CA ALA A 34 240.987 262.489 260.774 1.00 0.00 C +ATOM 35 CA ARG A 35 243.629 263.812 258.369 1.00 0.00 C +ATOM 36 CA ALA A 36 247.108 263.151 259.774 1.00 0.00 C +ATOM 37 CA ALA A 37 249.840 260.500 259.935 1.00 0.00 C +ATOM 38 CA PRO A 38 249.114 257.058 261.398 1.00 0.00 C +ATOM 39 CA SER A 39 249.612 253.462 262.555 1.00 0.00 C +ATOM 40 CA PRO A 40 250.542 249.768 262.499 1.00 0.00 C +ATOM 41 CA ARG A 41 250.369 246.882 260.017 1.00 0.00 C +ATOM 42 CA ARG A 42 250.652 243.543 261.831 1.00 0.00 C +ATOM 43 CA ARG A 43 251.006 240.727 264.373 1.00 0.00 C +ATOM 44 CA SER A 44 252.583 237.703 266.072 1.00 0.00 C +ATOM 45 CA ARG A 45 253.131 234.636 263.878 1.00 0.00 C +ATOM 46 CA GLY A 46 251.018 234.360 260.720 1.00 0.00 C +ATOM 47 CA SER A 47 253.299 233.170 257.909 1.00 0.00 C +ATOM 48 CA ARG A 48 256.883 234.102 258.804 1.00 0.00 C +ATOM 49 CA PRO A 49 259.235 237.028 259.460 1.00 0.00 C +ATOM 50 CA SER A 50 259.953 239.497 256.649 1.00 0.00 C +ATOM 51 CA ARG A 51 262.937 240.279 254.413 1.00 0.00 C +ATOM 52 CA PRO A 52 263.171 240.654 250.629 1.00 0.00 C +ATOM 53 CA GLY A 53 264.367 238.564 247.676 1.00 0.00 C +ATOM 54 CA ARG A 54 263.280 234.983 246.966 1.00 0.00 C +ATOM 55 CA ALA A 55 261.226 231.879 247.778 1.00 0.00 C +TER 56 ALA A 55 +END diff --git a/Bacteria/Q0FWF5/Q0FWF5.dcd b/Bacteria/Q0FWF5/Q0FWF5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..010b9a594846c171221b1ec9e9e0cecc804d9e55 --- /dev/null +++ b/Bacteria/Q0FWF5/Q0FWF5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:20fc3b39b5befd0569e7728b112a7972cbf8ecf91e4002d7321ac4f5aa351ca7 +size 5000276 diff --git a/Bacteria/Q0FWF5/top.pdb b/Bacteria/Q0FWF5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c2d7d4de8152e90ba778a63b30549684413daf50 --- /dev/null +++ b/Bacteria/Q0FWF5/top.pdb @@ -0,0 +1,39 @@ +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 1 245.973 243.907 245.179 1.00 0.00 C +ATOM 2 CA ARG A 2 247.887 242.342 248.078 1.00 0.00 C +ATOM 3 CA ILE A 3 250.913 241.157 250.066 1.00 0.00 C +ATOM 4 CA THR A 4 254.473 242.489 249.801 1.00 0.00 C +ATOM 5 CA PRO A 5 254.944 246.236 249.302 1.00 0.00 C +ATOM 6 CA GLY A 6 256.275 247.865 252.478 1.00 0.00 C +ATOM 7 CA ALA A 7 254.507 250.797 254.150 1.00 0.00 C +ATOM 8 CA THR A 8 256.676 253.926 254.277 1.00 0.00 C +ATOM 9 CA ALA A 9 260.351 253.524 255.197 1.00 0.00 C +ATOM 10 CA LEU A 10 262.891 256.209 256.124 1.00 0.00 C +ATOM 11 CA THR A 11 265.289 257.239 253.349 1.00 0.00 C +ATOM 12 CA ARG A 12 266.201 257.344 249.651 1.00 0.00 C +ATOM 13 CA MET A 13 268.506 254.979 247.752 1.00 0.00 C +ATOM 14 CA PRO A 14 268.449 254.043 244.060 1.00 0.00 C +ATOM 15 CA THR A 15 267.088 250.599 243.163 1.00 0.00 C +ATOM 16 CA GLY A 16 264.005 248.948 241.651 1.00 0.00 C +ATOM 17 CA PRO A 17 261.191 250.794 239.866 1.00 0.00 C +ATOM 18 CA ARG A 18 259.831 254.225 238.918 1.00 0.00 C +ATOM 19 CA SER A 19 258.581 256.634 241.592 1.00 0.00 C +ATOM 20 CA SER A 20 256.316 256.130 244.614 1.00 0.00 C +ATOM 21 CA ALA A 21 253.246 253.904 244.241 1.00 0.00 C +ATOM 22 CA SER A 22 251.997 252.868 247.689 1.00 0.00 C +ATOM 23 CA CYS A 23 249.630 255.154 249.609 1.00 0.00 C +ATOM 24 CA LEU A 24 248.163 254.368 253.036 1.00 0.00 C +ATOM 25 CA VAL A 25 246.890 251.633 255.364 1.00 0.00 C +ATOM 26 CA SER A 26 243.094 251.624 255.040 1.00 0.00 C +ATOM 27 CA PRO A 27 239.992 249.424 255.262 1.00 0.00 C +ATOM 28 CA THR A 28 236.248 250.133 255.265 1.00 0.00 C +ATOM 29 CA THR A 29 234.652 249.913 251.813 1.00 0.00 C +ATOM 30 CA PRO A 30 232.349 246.881 251.696 1.00 0.00 C +ATOM 31 CA CYS A 31 230.585 244.425 249.378 1.00 0.00 C +ATOM 32 CA LEU A 32 227.565 242.325 250.371 1.00 0.00 C +ATOM 33 CA ALA A 33 226.627 242.427 254.063 1.00 0.00 C +ATOM 34 CA GLU A 34 225.599 242.109 257.717 1.00 0.00 C +ATOM 35 CA THR A 35 223.017 243.428 260.189 1.00 0.00 C +TER 36 THR A 35 +END diff --git a/Bacteria/Q0FWG0/Q0FWG0.dcd b/Bacteria/Q0FWG0/Q0FWG0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c98b8e72e18c8c279929c859bf8ff4ce1639bf1e --- /dev/null +++ b/Bacteria/Q0FWG0/Q0FWG0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a74fb2f4a5681f05e42ec96a60de2f2e23f1b60cf89bfd55c95c3862b50c8387 +size 6200276 diff --git a/Bacteria/Q0FWG0/top.pdb b/Bacteria/Q0FWG0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..165392988af94326b95a46b4f43ca6b39313c90f --- /dev/null +++ b/Bacteria/Q0FWG0/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 1 274.543 250.459 210.640 1.00 0.00 C +ATOM 2 CA PRO A 2 271.493 248.768 212.174 1.00 0.00 C +ATOM 3 CA ASN A 3 270.510 249.976 215.651 1.00 0.00 C +ATOM 4 CA THR A 4 271.867 251.923 218.632 1.00 0.00 C +ATOM 5 CA GLY A 5 271.507 250.110 221.963 1.00 0.00 C +ATOM 6 CA ARG A 6 271.548 249.946 225.769 1.00 0.00 C +ATOM 7 CA SER A 7 273.239 252.572 227.951 1.00 0.00 C +ATOM 8 CA ARG A 8 273.834 251.581 231.581 1.00 0.00 C +ATOM 9 CA PRO A 9 276.323 248.753 232.149 1.00 0.00 C +ATOM 10 CA ARG A 10 275.113 245.141 232.102 1.00 0.00 C +ATOM 11 CA PRO A 11 272.823 242.109 232.386 1.00 0.00 C +ATOM 12 CA THR A 12 269.726 243.373 234.210 1.00 0.00 C +ATOM 13 CA ARG A 13 269.748 243.577 238.014 1.00 0.00 C +ATOM 14 CA SER A 14 270.083 244.718 241.634 1.00 0.00 C +ATOM 15 CA THR A 15 271.131 247.602 243.892 1.00 0.00 C +ATOM 16 CA TRP A 16 270.762 246.221 247.424 1.00 0.00 C +ATOM 17 CA HIS A 17 267.694 246.527 249.662 1.00 0.00 C +ATOM 18 CA SER A 18 264.407 245.479 251.279 1.00 0.00 C +ATOM 19 CA HIS A 19 263.079 248.227 253.561 1.00 0.00 C +ATOM 20 CA ARG A 20 260.177 249.379 255.743 1.00 0.00 C +ATOM 21 CA CYS A 21 258.004 249.111 258.861 1.00 0.00 C +ATOM 22 CA PRO A 22 255.975 252.081 260.116 1.00 0.00 C +ATOM 23 CA ARG A 23 255.222 255.232 262.121 1.00 0.00 C +ATOM 24 CA THR A 24 251.996 256.610 260.634 1.00 0.00 C +ATOM 25 CA SER A 25 250.434 254.182 258.148 1.00 0.00 C +ATOM 26 CA PRO A 26 249.341 250.694 259.225 1.00 0.00 C +ATOM 27 CA SER A 27 246.471 248.373 258.283 1.00 0.00 C +ATOM 28 CA SER A 28 242.869 249.517 257.795 1.00 0.00 C +ATOM 29 CA ARG A 29 239.417 248.909 259.288 1.00 0.00 C +ATOM 30 CA THR A 30 239.383 248.111 263.013 1.00 0.00 C +ATOM 31 CA SER A 31 239.113 249.359 266.603 1.00 0.00 C +ATOM 32 CA SER A 32 238.272 250.694 270.071 1.00 0.00 C +ATOM 33 CA ALA A 33 234.728 252.084 270.226 1.00 0.00 C +ATOM 34 CA PRO A 34 233.684 253.607 266.893 1.00 0.00 C +ATOM 35 CA SER A 35 233.648 252.421 263.273 1.00 0.00 C +ATOM 36 CA SER A 36 230.135 252.965 261.901 1.00 0.00 C +ATOM 37 CA PRO A 37 227.593 250.194 261.291 1.00 0.00 C +ATOM 38 CA SER A 38 223.837 249.791 261.791 1.00 0.00 C +ATOM 39 CA ALA A 39 220.201 250.573 262.617 1.00 0.00 C +ATOM 40 CA ALA A 40 218.040 251.512 265.611 1.00 0.00 C +ATOM 41 CA PRO A 41 214.752 251.519 267.537 1.00 0.00 C +ATOM 42 CA ALA A 42 211.041 250.899 268.135 1.00 0.00 C +ATOM 43 CA ALA A 43 208.374 252.903 266.295 1.00 0.00 C +ATOM 44 CA CYS A 44 208.787 254.440 262.834 1.00 0.00 C +ATOM 45 CA ARG A 45 209.076 257.779 261.021 1.00 0.00 C +TER 46 ARG A 45 +END diff --git a/Bacteria/Q0FWG6/Q0FWG6.dcd b/Bacteria/Q0FWG6/Q0FWG6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..88014689fe26c62bae60b4db4ffb245e991f189d --- /dev/null +++ b/Bacteria/Q0FWG6/Q0FWG6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:21beb1955112ce25f556ea84b30b3e2aa89795b9c1866bd779331f215c5f5673 +size 5600276 diff --git a/Bacteria/Q0FWG6/top.pdb b/Bacteria/Q0FWG6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0e7eecb0e9d3e15fa85e4462a6df423ffa3581e4 --- /dev/null +++ b/Bacteria/Q0FWG6/top.pdb @@ -0,0 +1,44 @@ +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 1 236.654 250.060 255.164 1.00 0.00 C +ATOM 2 CA GLN A 2 233.345 250.709 256.938 1.00 0.00 C +ATOM 3 CA ALA A 3 232.103 248.993 260.104 1.00 0.00 C +ATOM 4 CA PRO A 4 233.143 246.036 262.269 1.00 0.00 C +ATOM 5 CA GLY A 5 236.178 244.234 263.704 1.00 0.00 C +ATOM 6 CA SER A 6 236.772 241.974 266.713 1.00 0.00 C +ATOM 7 CA SER A 7 240.415 241.338 267.632 1.00 0.00 C +ATOM 8 CA GLN A 8 242.109 243.077 270.568 1.00 0.00 C +ATOM 9 CA SER A 9 243.551 246.576 270.127 1.00 0.00 C +ATOM 10 CA ARG A 10 243.246 250.306 269.415 1.00 0.00 C +ATOM 11 CA SER A 11 242.290 253.854 268.407 1.00 0.00 C +ATOM 12 CA MET A 12 244.234 256.006 265.936 1.00 0.00 C +ATOM 13 CA LEU A 13 247.763 256.518 264.594 1.00 0.00 C +ATOM 14 CA VAL A 14 250.431 254.934 262.383 1.00 0.00 C +ATOM 15 CA THR A 15 250.660 254.179 258.656 1.00 0.00 C +ATOM 16 CA SER A 16 250.954 251.201 256.298 1.00 0.00 C +ATOM 17 CA ARG A 17 252.047 252.046 252.747 1.00 0.00 C +ATOM 18 CA LEU A 18 254.709 249.443 251.939 1.00 0.00 C +ATOM 19 CA ASN A 19 258.040 249.321 250.093 1.00 0.00 C +ATOM 20 CA GLY A 20 259.620 246.289 248.411 1.00 0.00 C +ATOM 21 CA GLN A 21 258.488 243.638 245.919 1.00 0.00 C +ATOM 22 CA SER A 22 258.079 242.040 242.485 1.00 0.00 C +ATOM 23 CA SER A 23 254.337 241.726 241.843 1.00 0.00 C +ATOM 24 CA HIS A 24 251.598 239.727 240.105 1.00 0.00 C +ATOM 25 CA GLY A 25 251.153 240.687 236.445 1.00 0.00 C +ATOM 26 CA ARG A 26 250.669 240.731 232.666 1.00 0.00 C +ATOM 27 CA SER A 27 249.588 242.225 229.332 1.00 0.00 C +ATOM 28 CA GLY A 28 249.544 245.998 229.858 1.00 0.00 C +ATOM 29 CA SER A 29 248.299 247.815 232.967 1.00 0.00 C +ATOM 30 CA GLY A 30 250.417 250.436 234.746 1.00 0.00 C +ATOM 31 CA PRO A 31 253.477 252.662 234.310 1.00 0.00 C +ATOM 32 CA ASN A 32 253.028 255.866 236.323 1.00 0.00 C +ATOM 33 CA GLU A 33 252.108 259.561 236.460 1.00 0.00 C +ATOM 34 CA ARG A 34 254.124 261.379 239.133 1.00 0.00 C +ATOM 35 CA ILE A 35 257.617 262.893 238.981 1.00 0.00 C +ATOM 36 CA GLY A 36 260.704 261.337 240.583 1.00 0.00 C +ATOM 37 CA LYS A 37 262.363 260.552 243.922 1.00 0.00 C +ATOM 38 CA THR A 38 264.112 257.864 245.979 1.00 0.00 C +ATOM 39 CA ALA A 39 265.541 254.484 247.003 1.00 0.00 C +ATOM 40 CA ASP A 40 266.485 251.285 248.844 1.00 0.00 C +TER 41 ASP A 40 +END diff --git a/Bacteria/Q0FWG8/Q0FWG8.dcd b/Bacteria/Q0FWG8/Q0FWG8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c6270beed76ed5d37bf0505d25f2effc5e973cf9 --- /dev/null +++ b/Bacteria/Q0FWG8/Q0FWG8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b7a55985fa789f56471cc872d0d01f3eff44fbeec9b1bb779258f3dbf189c7b3 +size 6320276 diff --git a/Bacteria/Q0FWG8/top.pdb b/Bacteria/Q0FWG8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5267dfa4c220e3ea9aa63d3df92a75ab99333041 --- /dev/null +++ b/Bacteria/Q0FWG8/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 1 239.689 256.553 286.871 1.00 0.00 C +ATOM 2 CA ARG A 2 239.589 258.264 283.468 1.00 0.00 C +ATOM 3 CA SER A 3 239.527 261.454 281.385 1.00 0.00 C +ATOM 4 CA ARG A 4 239.801 261.930 277.615 1.00 0.00 C +ATOM 5 CA GLY A 5 242.407 263.815 275.572 1.00 0.00 C +ATOM 6 CA HIS A 6 245.234 266.004 274.256 1.00 0.00 C +ATOM 7 CA PRO A 7 248.560 267.012 272.693 1.00 0.00 C +ATOM 8 CA GLY A 8 252.183 265.892 272.328 1.00 0.00 C +ATOM 9 CA ALA A 9 253.855 263.265 270.133 1.00 0.00 C +ATOM 10 CA ARG A 10 253.541 262.492 266.416 1.00 0.00 C +ATOM 11 CA PRO A 11 254.208 262.024 262.694 1.00 0.00 C +ATOM 12 CA ASP A 12 255.693 263.673 259.597 1.00 0.00 C +ATOM 13 CA ARG A 13 253.345 265.474 257.196 1.00 0.00 C +ATOM 14 CA ARG A 14 251.770 265.110 253.747 1.00 0.00 C +ATOM 15 CA PRO A 15 252.259 267.727 251.021 1.00 0.00 C +ATOM 16 CA ALA A 16 253.032 267.880 247.294 1.00 0.00 C +ATOM 17 CA GLY A 17 253.418 269.453 243.845 1.00 0.00 C +ATOM 18 CA ARG A 18 253.963 269.350 240.075 1.00 0.00 C +ATOM 19 CA ALA A 19 256.486 269.497 237.225 1.00 0.00 C +ATOM 20 CA LYS A 20 259.737 267.519 237.420 1.00 0.00 C +ATOM 21 CA THR A 21 261.418 265.687 240.307 1.00 0.00 C +ATOM 22 CA ARG A 22 258.874 265.753 243.143 1.00 0.00 C +ATOM 23 CA PRO A 23 256.117 263.467 244.440 1.00 0.00 C +ATOM 24 CA ARG A 24 255.205 259.772 244.625 1.00 0.00 C +ATOM 25 CA SER A 25 253.949 256.391 245.854 1.00 0.00 C +ATOM 26 CA ALA A 26 256.208 253.330 245.648 1.00 0.00 C +ATOM 27 CA LEU A 27 258.325 250.455 244.317 1.00 0.00 C +ATOM 28 CA PRO A 28 256.407 247.187 244.719 1.00 0.00 C +ATOM 29 CA ARG A 29 256.876 243.489 243.933 1.00 0.00 C +ATOM 30 CA GLY A 30 257.184 239.691 243.937 1.00 0.00 C +ATOM 31 CA PRO A 31 257.707 235.927 243.673 1.00 0.00 C +ATOM 32 CA GLY A 32 257.886 233.166 241.053 1.00 0.00 C +ATOM 33 CA ARG A 33 255.198 233.156 238.353 1.00 0.00 C +ATOM 34 CA GLY A 34 251.623 232.775 239.616 1.00 0.00 C +ATOM 35 CA GLY A 35 249.087 231.664 236.999 1.00 0.00 C +ATOM 36 CA SER A 36 247.370 231.461 233.605 1.00 0.00 C +ATOM 37 CA ASP A 37 249.625 230.238 230.788 1.00 0.00 C +ATOM 38 CA HIS A 38 248.311 226.798 229.809 1.00 0.00 C +ATOM 39 CA SER A 39 244.937 226.233 231.486 1.00 0.00 C +ATOM 40 CA ILE A 40 241.572 224.536 232.049 1.00 0.00 C +ATOM 41 CA SER A 41 238.912 224.037 234.730 1.00 0.00 C +ATOM 42 CA SER A 42 237.939 226.245 237.679 1.00 0.00 C +ATOM 43 CA ALA A 43 239.821 227.369 240.795 1.00 0.00 C +ATOM 44 CA THR A 44 240.316 226.145 244.369 1.00 0.00 C +ATOM 45 CA ALA A 45 237.318 225.218 246.529 1.00 0.00 C +ATOM 46 CA ARG A 46 233.517 225.421 246.696 1.00 0.00 C +TER 47 ARG A 46 +END diff --git a/Bacteria/Q0FWH1/Q0FWH1.dcd b/Bacteria/Q0FWH1/Q0FWH1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..7342229a5844e024c864d989e67bb7be77b48d4d --- /dev/null +++ b/Bacteria/Q0FWH1/Q0FWH1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:61d466b7f2f8e3ad41845f475f73902d54a748e77f0bce20249f0ad70b70bf99 +size 5240276 diff --git a/Bacteria/Q0FWH1/top.pdb b/Bacteria/Q0FWH1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..49175b12921882e7be9a7d8fe116b590507b615b --- /dev/null +++ b/Bacteria/Q0FWH1/top.pdb @@ -0,0 +1,41 @@ +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 1 241.011 227.391 249.470 1.00 0.00 C +ATOM 2 CA PRO A 2 241.232 230.077 246.778 1.00 0.00 C +ATOM 3 CA ARG A 3 237.635 231.185 246.186 1.00 0.00 C +ATOM 4 CA VAL A 4 236.558 233.913 248.619 1.00 0.00 C +ATOM 5 CA SER A 5 237.006 237.527 249.740 1.00 0.00 C +ATOM 6 CA SER A 6 237.364 240.825 247.867 1.00 0.00 C +ATOM 7 CA ALA A 7 240.359 243.178 247.988 1.00 0.00 C +ATOM 8 CA LYS A 8 243.752 243.996 249.516 1.00 0.00 C +ATOM 9 CA THR A 9 247.247 244.670 248.158 1.00 0.00 C +ATOM 10 CA THR A 10 249.343 243.073 245.406 1.00 0.00 C +ATOM 11 CA ALA A 11 249.429 240.290 242.805 1.00 0.00 C +ATOM 12 CA ALA A 12 251.859 237.430 242.148 1.00 0.00 C +ATOM 13 CA THR A 13 253.644 236.481 238.919 1.00 0.00 C +ATOM 14 CA ARG A 14 257.060 238.016 238.218 1.00 0.00 C +ATOM 15 CA HIS A 15 257.760 240.751 240.776 1.00 0.00 C +ATOM 16 CA GLN A 16 254.899 243.184 241.419 1.00 0.00 C +ATOM 17 CA THR A 17 254.037 246.825 240.702 1.00 0.00 C +ATOM 18 CA MET A 18 252.285 249.955 241.986 1.00 0.00 C +ATOM 19 CA SER A 19 251.675 251.507 245.412 1.00 0.00 C +ATOM 20 CA SER A 20 253.808 254.258 246.961 1.00 0.00 C +ATOM 21 CA GLN A 21 256.923 253.202 248.884 1.00 0.00 C +ATOM 22 CA ALA A 22 258.030 256.290 250.821 1.00 0.00 C +ATOM 23 CA ARG A 23 258.053 260.081 250.442 1.00 0.00 C +ATOM 24 CA SER A 24 258.329 261.823 253.819 1.00 0.00 C +ATOM 25 CA ARG A 25 256.867 264.136 256.471 1.00 0.00 C +ATOM 26 CA LEU A 26 257.183 266.737 259.237 1.00 0.00 C +ATOM 27 CA GLY A 27 256.379 265.549 262.767 1.00 0.00 C +ATOM 28 CA SER A 28 252.931 263.935 262.902 1.00 0.00 C +ATOM 29 CA MET A 29 251.075 265.007 259.753 1.00 0.00 C +ATOM 30 CA SER A 30 249.209 266.611 256.844 1.00 0.00 C +ATOM 31 CA ARG A 31 248.668 265.645 253.198 1.00 0.00 C +ATOM 32 CA THR A 32 247.645 261.976 253.290 1.00 0.00 C +ATOM 33 CA ARG A 33 245.040 259.678 254.856 1.00 0.00 C +ATOM 34 CA VAL A 34 246.630 256.222 255.072 1.00 0.00 C +ATOM 35 CA MET A 35 249.953 254.809 256.288 1.00 0.00 C +ATOM 36 CA LEU A 36 252.917 257.026 257.189 1.00 0.00 C +ATOM 37 CA THR A 37 256.204 256.740 259.094 1.00 0.00 C +TER 38 THR A 37 +END diff --git a/Bacteria/Q0FWH3/Q0FWH3.dcd b/Bacteria/Q0FWH3/Q0FWH3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..657b208d3f226874547372da9c01c6685fd116fd --- /dev/null +++ b/Bacteria/Q0FWH3/Q0FWH3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a83b1992ea661a6eaca3f9317e7b2cbaf85ea77b172abffc0a467752a7952f10 +size 4520276 diff --git a/Bacteria/Q0FWH3/top.pdb b/Bacteria/Q0FWH3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0c66d5c21b46c3832fa93222b1e087316bd7a487 --- /dev/null +++ b/Bacteria/Q0FWH3/top.pdb @@ -0,0 +1,35 @@ +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 1 270.076 260.277 243.158 1.00 0.00 C +ATOM 2 CA ALA A 2 267.512 258.882 240.708 1.00 0.00 C +ATOM 3 CA LYS A 3 264.257 260.504 239.573 1.00 0.00 C +ATOM 4 CA LEU A 4 261.302 262.446 240.990 1.00 0.00 C +ATOM 5 CA ILE A 5 259.120 263.138 244.036 1.00 0.00 C +ATOM 6 CA GLY A 6 257.706 259.970 245.610 1.00 0.00 C +ATOM 7 CA ALA A 7 255.861 257.751 243.121 1.00 0.00 C +ATOM 8 CA PRO A 8 254.795 255.361 240.353 1.00 0.00 C +ATOM 9 CA THR A 9 251.552 256.608 238.788 1.00 0.00 C +ATOM 10 CA SER A 10 248.678 254.423 240.007 1.00 0.00 C +ATOM 11 CA ARG A 11 245.936 254.080 242.630 1.00 0.00 C +ATOM 12 CA ARG A 12 242.398 253.192 243.728 1.00 0.00 C +ATOM 13 CA ALA A 13 241.975 252.052 247.339 1.00 0.00 C +ATOM 14 CA LYS A 14 243.538 253.699 250.398 1.00 0.00 C +ATOM 15 CA ARG A 15 246.457 254.226 252.789 1.00 0.00 C +ATOM 16 CA MET A 16 245.745 254.943 256.463 1.00 0.00 C +ATOM 17 CA ARG A 17 242.753 255.155 258.812 1.00 0.00 C +ATOM 18 CA THR A 18 240.536 252.058 258.679 1.00 0.00 C +ATOM 19 CA PRO A 19 240.138 249.822 255.621 1.00 0.00 C +ATOM 20 CA MET A 20 240.277 246.625 253.553 1.00 0.00 C +ATOM 21 CA SER A 21 243.177 244.184 253.167 1.00 0.00 C +ATOM 22 CA GLY A 22 245.275 243.713 250.022 1.00 0.00 C +ATOM 23 CA ILE A 23 248.920 242.767 249.447 1.00 0.00 C +ATOM 24 CA ILE A 24 251.869 240.702 248.199 1.00 0.00 C +ATOM 25 CA PRO A 25 252.625 237.761 250.500 1.00 0.00 C +ATOM 26 CA TRP A 26 252.702 236.213 253.980 1.00 0.00 C +ATOM 27 CA ALA A 27 252.375 235.692 257.740 1.00 0.00 C +ATOM 28 CA PRO A 28 249.145 237.325 258.929 1.00 0.00 C +ATOM 29 CA HIS A 29 246.794 238.891 261.486 1.00 0.00 C +ATOM 30 CA ASP A 30 243.817 239.882 263.647 1.00 0.00 C +ATOM 31 CA ARG A 31 242.689 237.657 266.527 1.00 0.00 C +TER 32 ARG A 31 +END diff --git a/Bacteria/Q0FWI0/Q0FWI0.dcd b/Bacteria/Q0FWI0/Q0FWI0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..194b2743c5a9729c62a5044b72df0f53baa35d5d --- /dev/null +++ b/Bacteria/Q0FWI0/Q0FWI0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fdaed3c25ed15a3f289ef1646b5d5eb98f78b1ec37d270262601f9ff986f082a +size 6560276 diff --git a/Bacteria/Q0FWI0/top.pdb b/Bacteria/Q0FWI0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4a0531956931819d8f80a6753c2357c6e97aedcc --- /dev/null +++ b/Bacteria/Q0FWI0/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 1 229.960 259.825 276.879 1.00 0.00 C +ATOM 2 CA THR A 2 229.867 259.947 273.072 1.00 0.00 C +ATOM 3 CA THR A 3 230.227 257.285 270.371 1.00 0.00 C +ATOM 4 CA ALA A 4 231.094 255.286 267.245 1.00 0.00 C +ATOM 5 CA ALA A 5 231.655 252.162 265.139 1.00 0.00 C +ATOM 6 CA GLY A 6 233.041 249.109 266.948 1.00 0.00 C +ATOM 7 CA GLN A 7 233.100 245.542 265.611 1.00 0.00 C +ATOM 8 CA GLN A 8 236.626 244.165 266.051 1.00 0.00 C +ATOM 9 CA ARG A 9 240.091 245.744 265.926 1.00 0.00 C +ATOM 10 CA LEU A 10 242.887 247.678 264.207 1.00 0.00 C +ATOM 11 CA ARG A 11 246.477 248.153 263.022 1.00 0.00 C +ATOM 12 CA GLY A 12 248.018 250.205 260.206 1.00 0.00 C +ATOM 13 CA ARG A 13 251.535 251.613 259.804 1.00 0.00 C +ATOM 14 CA ARG A 14 255.253 250.808 260.021 1.00 0.00 C +ATOM 15 CA ASP A 15 256.577 247.452 258.798 1.00 0.00 C +ATOM 16 CA GLN A 16 256.523 247.289 254.991 1.00 0.00 C +ATOM 17 CA ALA A 17 253.763 245.636 252.952 1.00 0.00 C +ATOM 18 CA GLY A 18 251.685 245.540 249.760 1.00 0.00 C +ATOM 19 CA LYS A 19 248.534 244.039 248.231 1.00 0.00 C +ATOM 20 CA PRO A 20 245.756 245.005 245.809 1.00 0.00 C +ATOM 21 CA ALA A 21 242.854 246.827 244.145 1.00 0.00 C +ATOM 22 CA ARG A 22 241.295 250.231 244.852 1.00 0.00 C +ATOM 23 CA ARG A 23 242.637 253.727 245.554 1.00 0.00 C +ATOM 24 CA CYS A 24 245.905 255.191 246.856 1.00 0.00 C +ATOM 25 CA ALA A 25 248.962 256.940 248.309 1.00 0.00 C +ATOM 26 CA ARG A 26 252.093 255.006 249.295 1.00 0.00 C +ATOM 27 CA ARG A 27 255.494 256.294 250.433 1.00 0.00 C +ATOM 28 CA ARG A 28 257.700 253.235 250.976 1.00 0.00 C +ATOM 29 CA ARG A 29 258.879 251.598 247.744 1.00 0.00 C +ATOM 30 CA ALA A 30 259.014 254.303 245.064 1.00 0.00 C +ATOM 31 CA SER A 31 255.772 256.052 244.091 1.00 0.00 C +ATOM 32 CA HIS A 32 252.499 254.254 243.334 1.00 0.00 C +ATOM 33 CA PRO A 33 250.587 255.075 240.143 1.00 0.00 C +ATOM 34 CA PRO A 34 250.258 251.871 238.106 1.00 0.00 C +ATOM 35 CA LYS A 35 250.605 251.572 234.324 1.00 0.00 C +ATOM 36 CA ALA A 36 252.025 250.215 231.059 1.00 0.00 C +ATOM 37 CA PRO A 37 254.905 247.757 230.636 1.00 0.00 C +ATOM 38 CA ARG A 38 258.331 246.737 231.954 1.00 0.00 C +ATOM 39 CA GLY A 39 258.914 247.719 235.588 1.00 0.00 C +ATOM 40 CA CYS A 40 258.451 251.131 237.219 1.00 0.00 C +ATOM 41 CA ALA A 41 256.965 250.624 240.690 1.00 0.00 C +ATOM 42 CA CYS A 42 255.677 248.204 243.336 1.00 0.00 C +ATOM 43 CA ARG A 43 257.716 245.028 242.816 1.00 0.00 C +ATOM 44 CA ARG A 44 260.867 243.649 241.177 1.00 0.00 C +ATOM 45 CA SER A 45 264.364 243.920 242.663 1.00 0.00 C +ATOM 46 CA ALA A 46 266.663 241.564 240.744 1.00 0.00 C +ATOM 47 CA SER A 47 268.988 242.824 238.001 1.00 0.00 C +ATOM 48 CA GLY A 48 268.912 245.967 235.848 1.00 0.00 C +TER 49 GLY A 48 +END diff --git a/Bacteria/Q0FWI7/Q0FWI7.dcd b/Bacteria/Q0FWI7/Q0FWI7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f57d2aa5efb590996a2790893085ff74d707ae98 --- /dev/null +++ b/Bacteria/Q0FWI7/Q0FWI7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2e1c70275f6f005e3d407bef633bed7ef6578b1cb2daa9cf5cded02e5491bd5a +size 6560276 diff --git a/Bacteria/Q0FWI7/top.pdb b/Bacteria/Q0FWI7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c4d826ab72b2738f0cdf9d2402e9b9f707f6693b --- /dev/null +++ b/Bacteria/Q0FWI7/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 1 241.275 287.467 263.132 1.00 0.00 C +ATOM 2 CA ARG A 2 237.487 287.548 262.730 1.00 0.00 C +ATOM 3 CA ALA A 3 235.687 286.122 259.690 1.00 0.00 C +ATOM 4 CA LEU A 4 235.070 283.193 257.332 1.00 0.00 C +ATOM 5 CA PRO A 5 235.311 282.598 253.576 1.00 0.00 C +ATOM 6 CA ARG A 6 233.453 280.084 251.398 1.00 0.00 C +ATOM 7 CA GLN A 7 235.196 279.573 248.049 1.00 0.00 C +ATOM 8 CA ARG A 8 237.952 278.934 245.497 1.00 0.00 C +ATOM 9 CA HIS A 9 241.390 279.080 243.862 1.00 0.00 C +ATOM 10 CA ARG A 10 244.306 276.702 244.459 1.00 0.00 C +ATOM 11 CA ASP A 11 243.634 273.198 243.123 1.00 0.00 C +ATOM 12 CA GLY A 12 244.185 269.434 242.904 1.00 0.00 C +ATOM 13 CA LEU A 13 245.416 265.830 242.997 1.00 0.00 C +ATOM 14 CA PRO A 14 245.295 262.452 241.239 1.00 0.00 C +ATOM 15 CA ASP A 15 248.904 261.254 240.999 1.00 0.00 C +ATOM 16 CA THR A 16 248.983 257.478 240.497 1.00 0.00 C +ATOM 17 CA GLY A 17 251.100 254.679 241.981 1.00 0.00 C +ATOM 18 CA ILE A 18 250.456 250.946 242.387 1.00 0.00 C +ATOM 19 CA GLY A 19 253.632 249.194 241.222 1.00 0.00 C +ATOM 20 CA PRO A 20 253.662 246.698 238.343 1.00 0.00 C +ATOM 21 CA GLY A 21 253.824 242.914 238.755 1.00 0.00 C +ATOM 22 CA HIS A 22 254.626 240.151 241.253 1.00 0.00 C +ATOM 23 CA GLN A 23 251.469 238.036 241.521 1.00 0.00 C +ATOM 24 CA ARG A 24 248.474 235.807 242.280 1.00 0.00 C +ATOM 25 CA PHE A 25 248.663 233.000 244.850 1.00 0.00 C +ATOM 26 CA THR A 26 251.070 230.073 244.463 1.00 0.00 C +ATOM 27 CA PRO A 27 254.561 228.598 244.068 1.00 0.00 C +ATOM 28 CA LEU A 28 257.869 230.469 244.345 1.00 0.00 C +ATOM 29 CA GLN A 29 256.880 234.129 244.720 1.00 0.00 C +ATOM 30 CA ARG A 30 256.831 236.600 247.619 1.00 0.00 C +ATOM 31 CA GLU A 31 253.642 238.677 247.445 1.00 0.00 C +ATOM 32 CA TRP A 32 251.635 240.224 250.290 1.00 0.00 C +ATOM 33 CA PRO A 33 252.055 239.119 253.912 1.00 0.00 C +ATOM 34 CA GLY A 34 254.994 241.010 255.429 1.00 0.00 C +ATOM 35 CA HIS A 35 258.554 241.553 254.184 1.00 0.00 C +ATOM 36 CA GLN A 36 260.119 238.708 252.190 1.00 0.00 C +ATOM 37 CA ARG A 37 261.427 235.653 254.054 1.00 0.00 C +ATOM 38 CA SER A 38 264.547 235.790 256.235 1.00 0.00 C +ATOM 39 CA SER A 39 263.919 235.413 259.974 1.00 0.00 C +ATOM 40 CA LEU A 40 261.531 233.840 262.492 1.00 0.00 C +ATOM 41 CA GLY A 41 259.131 234.722 265.316 1.00 0.00 C +ATOM 42 CA TRP A 42 255.985 232.635 265.834 1.00 0.00 C +ATOM 43 CA MET A 43 252.272 232.695 264.982 1.00 0.00 C +ATOM 44 CA ASN A 44 251.046 230.903 261.851 1.00 0.00 C +ATOM 45 CA SER A 45 250.819 229.707 258.241 1.00 0.00 C +ATOM 46 CA MET A 46 252.204 230.575 254.799 1.00 0.00 C +ATOM 47 CA SER A 47 251.609 233.074 251.986 1.00 0.00 C +ATOM 48 CA VAL A 48 247.851 233.465 251.494 1.00 0.00 C +TER 49 VAL A 48 +END diff --git a/Bacteria/Q0FWJ6/Q0FWJ6.dcd b/Bacteria/Q0FWJ6/Q0FWJ6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..4546a671026a432574b7cb84c6715a768d308c1a --- /dev/null +++ b/Bacteria/Q0FWJ6/Q0FWJ6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:becb2ffee61411b17872b9ff8c78cf48b1effe9a803ea41df3625b91ee494846 +size 11240276 diff --git a/Bacteria/Q0FWJ6/top.pdb b/Bacteria/Q0FWJ6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e5371e642a68d62ebe1f229a71e5677232adf352 --- /dev/null +++ b/Bacteria/Q0FWJ6/top.pdb @@ -0,0 +1,91 @@ +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 1 280.692 266.328 255.865 1.00 0.00 C +ATOM 2 CA ALA A 2 278.234 269.238 255.794 1.00 0.00 C +ATOM 3 CA CYS A 3 275.913 269.242 252.773 1.00 0.00 C +ATOM 4 CA ARG A 4 273.130 269.728 250.217 1.00 0.00 C +ATOM 5 CA ALA A 5 274.009 272.638 247.919 1.00 0.00 C +ATOM 6 CA SER A 6 275.968 275.810 248.702 1.00 0.00 C +ATOM 7 CA SER A 7 275.107 279.520 248.795 1.00 0.00 C +ATOM 8 CA SER A 8 271.369 280.052 249.303 1.00 0.00 C +ATOM 9 CA PRO A 9 267.850 278.759 249.982 1.00 0.00 C +ATOM 10 CA PRO A 10 266.189 277.542 253.187 1.00 0.00 C +ATOM 11 CA ARG A 11 263.978 280.394 254.408 1.00 0.00 C +ATOM 12 CA THR A 12 261.094 279.785 256.822 1.00 0.00 C +ATOM 13 CA ILE A 13 257.778 279.051 255.096 1.00 0.00 C +ATOM 14 CA ARG A 14 257.468 278.913 251.301 1.00 0.00 C +ATOM 15 CA SER A 15 254.072 277.726 250.046 1.00 0.00 C +ATOM 16 CA ALA A 16 250.480 276.554 250.530 1.00 0.00 C +ATOM 17 CA THR A 17 248.138 274.680 252.880 1.00 0.00 C +ATOM 18 CA THR A 18 245.278 272.540 254.205 1.00 0.00 C +ATOM 19 CA THR A 19 245.311 272.148 257.994 1.00 0.00 C +ATOM 20 CA ARG A 20 247.091 271.815 261.346 1.00 0.00 C +ATOM 21 CA PRO A 21 250.374 273.434 262.404 1.00 0.00 C +ATOM 22 CA ARG A 22 254.182 273.339 262.420 1.00 0.00 C +ATOM 23 CA GLY A 23 256.765 270.549 262.663 1.00 0.00 C +ATOM 24 CA SER A 24 257.733 267.944 260.056 1.00 0.00 C +ATOM 25 CA ILE A 25 257.270 264.355 261.247 1.00 0.00 C +ATOM 26 CA THR A 26 254.612 262.634 259.127 1.00 0.00 C +ATOM 27 CA ARG A 27 255.162 259.759 256.688 1.00 0.00 C +ATOM 28 CA ARG A 28 257.457 258.633 253.863 1.00 0.00 C +ATOM 29 CA LEU A 29 259.605 255.578 253.106 1.00 0.00 C +ATOM 30 CA THR A 30 258.239 252.042 253.484 1.00 0.00 C +ATOM 31 CA GLY A 31 255.603 249.333 253.006 1.00 0.00 C +ATOM 32 CA GLN A 32 252.583 249.474 255.325 1.00 0.00 C +ATOM 33 CA THR A 33 250.810 252.201 257.308 1.00 0.00 C +ATOM 34 CA ALA A 34 252.468 254.988 259.309 1.00 0.00 C +ATOM 35 CA SER A 35 250.994 257.605 261.653 1.00 0.00 C +ATOM 36 CA THR A 36 250.751 256.037 265.116 1.00 0.00 C +ATOM 37 CA ALA A 37 253.082 253.047 265.501 1.00 0.00 C +ATOM 38 CA CYS A 38 256.323 251.515 264.212 1.00 0.00 C +ATOM 39 CA ARG A 39 257.962 253.549 261.438 1.00 0.00 C +ATOM 40 CA ARG A 40 260.385 256.430 260.849 1.00 0.00 C +ATOM 41 CA SER A 41 263.604 258.454 261.084 1.00 0.00 C +ATOM 42 CA SER A 42 266.949 258.649 259.270 1.00 0.00 C +ATOM 43 CA ALA A 43 268.277 255.079 259.365 1.00 0.00 C +ATOM 44 CA ARG A 44 268.838 251.600 260.812 1.00 0.00 C +ATOM 45 CA ARG A 45 268.649 248.938 258.092 1.00 0.00 C +ATOM 46 CA TRP A 46 270.926 249.302 255.058 1.00 0.00 C +ATOM 47 CA ARG A 47 269.382 248.769 251.616 1.00 0.00 C +ATOM 48 CA ALA A 48 266.186 250.264 250.178 1.00 0.00 C +ATOM 49 CA SER A 49 263.167 252.270 249.006 1.00 0.00 C +ATOM 50 CA THR A 50 262.704 253.909 245.598 1.00 0.00 C +ATOM 51 CA THR A 51 262.407 253.161 241.874 1.00 0.00 C +ATOM 52 CA THR A 52 260.426 253.007 238.623 1.00 0.00 C +ATOM 53 CA SER A 53 256.954 251.481 238.259 1.00 0.00 C +ATOM 54 CA SER A 54 254.246 251.213 235.593 1.00 0.00 C +ATOM 55 CA GLY A 55 253.357 251.157 231.889 1.00 0.00 C +ATOM 56 CA ARG A 56 251.570 251.750 228.576 1.00 0.00 C +ATOM 57 CA ARG A 57 251.331 250.914 224.867 1.00 0.00 C +ATOM 58 CA ALA A 58 248.832 248.046 224.658 1.00 0.00 C +ATOM 59 CA ARG A 59 247.341 244.658 225.563 1.00 0.00 C +ATOM 60 CA TRP A 60 245.923 241.447 227.045 1.00 0.00 C +ATOM 61 CA CYS A 61 246.945 238.815 229.604 1.00 0.00 C +ATOM 62 CA ALA A 62 244.411 238.188 232.379 1.00 0.00 C +ATOM 63 CA SER A 63 241.050 239.454 233.651 1.00 0.00 C +ATOM 64 CA ALA A 64 237.896 237.375 234.148 1.00 0.00 C +ATOM 65 CA PRO A 65 234.418 236.529 232.842 1.00 0.00 C +ATOM 66 CA ALA A 66 231.593 234.175 233.837 1.00 0.00 C +ATOM 67 CA ARG A 67 229.214 231.214 234.140 1.00 0.00 C +ATOM 68 CA PRO A 68 227.415 230.113 237.313 1.00 0.00 C +ATOM 69 CA SER A 69 225.322 232.661 239.222 1.00 0.00 C +ATOM 70 CA PRO A 70 222.534 233.683 241.610 1.00 0.00 C +ATOM 71 CA ARG A 71 223.670 233.573 245.245 1.00 0.00 C +ATOM 72 CA THR A 72 224.712 231.013 247.868 1.00 0.00 C +ATOM 73 CA GLY A 73 227.235 228.684 249.517 1.00 0.00 C +ATOM 74 CA ALA A 74 230.044 226.168 248.969 1.00 0.00 C +ATOM 75 CA CYS A 75 228.731 222.643 248.369 1.00 0.00 C +ATOM 76 CA TRP A 76 226.805 219.356 248.279 1.00 0.00 C +ATOM 77 CA ARG A 77 228.131 216.413 246.255 1.00 0.00 C +ATOM 78 CA PRO A 78 230.207 214.013 248.363 1.00 0.00 C +ATOM 79 CA GLY A 79 232.363 211.142 249.637 1.00 0.00 C +ATOM 80 CA SER A 80 230.499 209.500 252.526 1.00 0.00 C +ATOM 81 CA ALA A 81 227.894 209.204 255.290 1.00 0.00 C +ATOM 82 CA LYS A 82 225.226 210.740 257.534 1.00 0.00 C +ATOM 83 CA THR A 83 224.362 211.309 261.201 1.00 0.00 C +ATOM 84 CA ILE A 84 220.899 212.771 261.821 1.00 0.00 C +ATOM 85 CA SER A 85 218.537 214.129 259.158 1.00 0.00 C +ATOM 86 CA SER A 86 219.181 212.970 255.586 1.00 0.00 C +ATOM 87 CA ARG A 87 218.128 215.185 252.671 1.00 0.00 C +TER 88 ARG A 87 +END diff --git a/Bacteria/Q0FWK6/Q0FWK6.dcd b/Bacteria/Q0FWK6/Q0FWK6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..cd09ad019a24f9474ea0eb61c144895d52d381b8 --- /dev/null +++ b/Bacteria/Q0FWK6/Q0FWK6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a8dc908121f1b6cb12d473758ec55188e84fcd304dcd0af9ccfeb222bd798110 +size 4520276 diff --git a/Bacteria/Q0FWK6/top.pdb b/Bacteria/Q0FWK6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..93bcc45790017b542656274340e3a58f22adc344 --- /dev/null +++ b/Bacteria/Q0FWK6/top.pdb @@ -0,0 +1,35 @@ +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 1 235.534 247.131 238.175 1.00 0.00 C +ATOM 2 CA GLU A 2 239.077 247.955 239.310 1.00 0.00 C +ATOM 3 CA GLY A 3 242.361 247.104 241.044 1.00 0.00 C +ATOM 4 CA SER A 4 244.742 246.588 243.973 1.00 0.00 C +ATOM 5 CA ARG A 5 247.616 246.397 246.467 1.00 0.00 C +ATOM 6 CA ALA A 6 251.078 245.681 245.044 1.00 0.00 C +ATOM 7 CA SER A 7 252.830 243.526 247.652 1.00 0.00 C +ATOM 8 CA ILE A 8 255.627 241.048 246.906 1.00 0.00 C +ATOM 9 CA ALA A 9 256.834 238.247 249.189 1.00 0.00 C +ATOM 10 CA THR A 10 255.425 238.819 252.682 1.00 0.00 C +ATOM 11 CA ALA A 11 255.560 240.443 256.126 1.00 0.00 C +ATOM 12 CA ARG A 12 253.581 241.049 259.324 1.00 0.00 C +ATOM 13 CA ARG A 13 252.150 240.325 262.781 1.00 0.00 C +ATOM 14 CA ALA A 14 248.510 240.415 263.901 1.00 0.00 C +ATOM 15 CA ILE A 15 245.720 243.009 263.829 1.00 0.00 C +ATOM 16 CA THR A 16 245.279 244.388 260.305 1.00 0.00 C +ATOM 17 CA ARG A 17 243.229 246.625 258.002 1.00 0.00 C +ATOM 18 CA ALA A 18 243.899 245.546 254.410 1.00 0.00 C +ATOM 19 CA ARG A 19 245.231 248.281 252.115 1.00 0.00 C +ATOM 20 CA ARG A 20 248.782 249.651 252.289 1.00 0.00 C +ATOM 21 CA SER A 21 249.194 253.389 252.900 1.00 0.00 C +ATOM 22 CA SER A 22 251.429 256.320 253.866 1.00 0.00 C +ATOM 23 CA PRO A 23 254.893 256.769 252.343 1.00 0.00 C +ATOM 24 CA MET A 24 256.628 254.453 249.864 1.00 0.00 C +ATOM 25 CA THR A 25 256.384 256.284 246.531 1.00 0.00 C +ATOM 26 CA PRO A 26 253.962 258.902 245.193 1.00 0.00 C +ATOM 27 CA ARG A 27 252.752 261.679 247.503 1.00 0.00 C +ATOM 28 CA ALA A 28 253.690 265.276 246.665 1.00 0.00 C +ATOM 29 CA SER A 29 252.530 266.129 243.137 1.00 0.00 C +ATOM 30 CA GLY A 30 251.780 267.724 239.760 1.00 0.00 C +ATOM 31 CA ARG A 31 253.694 270.848 238.714 1.00 0.00 C +TER 32 ARG A 31 +END diff --git a/Bacteria/Q0FWK8/Q0FWK8.dcd b/Bacteria/Q0FWK8/Q0FWK8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..745720fccba727d5d723da1ecba7d14aed499270 --- /dev/null +++ b/Bacteria/Q0FWK8/Q0FWK8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d3d77e07dc457b54a1fa2a0b565775094d493946f478a9a5002ba625f5db441b +size 4760276 diff --git a/Bacteria/Q0FWK8/top.pdb b/Bacteria/Q0FWK8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..436b19674577c5616d3bef4953a12f628057ce8b --- /dev/null +++ b/Bacteria/Q0FWK8/top.pdb @@ -0,0 +1,37 @@ +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 1 281.402 239.117 248.849 1.00 0.00 C +ATOM 2 CA ALA A 2 280.318 235.649 247.702 1.00 0.00 C +ATOM 3 CA ASP A 3 277.703 235.963 244.949 1.00 0.00 C +ATOM 4 CA PRO A 4 273.993 235.405 245.612 1.00 0.00 C +ATOM 5 CA GLY A 5 270.951 237.669 245.240 1.00 0.00 C +ATOM 6 CA GLN A 6 271.626 241.417 245.124 1.00 0.00 C +ATOM 7 CA PRO A 7 268.475 243.517 244.703 1.00 0.00 C +ATOM 8 CA GLY A 8 267.527 247.030 243.574 1.00 0.00 C +ATOM 9 CA ASP A 9 266.781 250.433 245.116 1.00 0.00 C +ATOM 10 CA ALA A 10 264.264 253.001 243.856 1.00 0.00 C +ATOM 11 CA LEU A 11 260.655 253.304 245.039 1.00 0.00 C +ATOM 12 CA GLY A 12 258.205 250.489 245.808 1.00 0.00 C +ATOM 13 CA LEU A 13 257.711 249.478 249.448 1.00 0.00 C +ATOM 14 CA PHE A 14 254.375 247.746 250.069 1.00 0.00 C +ATOM 15 CA GLU A 15 251.039 249.382 250.911 1.00 0.00 C +ATOM 16 CA PRO A 16 248.910 252.107 252.511 1.00 0.00 C +ATOM 17 CA ARG A 17 245.404 253.446 253.166 1.00 0.00 C +ATOM 18 CA ARG A 18 242.993 255.939 254.744 1.00 0.00 C +ATOM 19 CA ASN A 19 242.607 259.100 252.653 1.00 0.00 C +ATOM 20 CA GLN A 20 239.106 260.575 252.355 1.00 0.00 C +ATOM 21 CA ARG A 21 238.757 264.197 253.482 1.00 0.00 C +ATOM 22 CA LEU A 22 235.363 264.393 255.203 1.00 0.00 C +ATOM 23 CA PRO A 23 232.909 262.026 256.902 1.00 0.00 C +ATOM 24 CA ARG A 24 231.190 258.860 258.141 1.00 0.00 C +ATOM 25 CA PRO A 25 229.597 255.404 257.950 1.00 0.00 C +ATOM 26 CA PRO A 26 226.793 252.876 257.436 1.00 0.00 C +ATOM 27 CA SER A 27 226.547 249.074 257.410 1.00 0.00 C +ATOM 28 CA ARG A 28 228.816 247.247 254.954 1.00 0.00 C +ATOM 29 CA HIS A 29 230.218 247.403 251.415 1.00 0.00 C +ATOM 30 CA SER A 30 232.862 249.755 250.003 1.00 0.00 C +ATOM 31 CA LEU A 31 235.853 248.396 248.074 1.00 0.00 C +ATOM 32 CA GLY A 32 237.928 250.330 245.530 1.00 0.00 C +ATOM 33 CA ARG A 33 239.124 249.273 242.070 1.00 0.00 C +TER 34 ARG A 33 +END diff --git a/Bacteria/Q0FWL3/Q0FWL3.dcd b/Bacteria/Q0FWL3/Q0FWL3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..5f80b5b5a16bea8c58b2dff9d05cfd891d117b59 --- /dev/null +++ b/Bacteria/Q0FWL3/Q0FWL3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9e494056e1084f8a8df1752ae07f50954a7b461e2bd65513babe837e93c7f309 +size 5360276 diff --git a/Bacteria/Q0FWL3/top.pdb b/Bacteria/Q0FWL3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2775c6c66960c1e8dbe314b47a2ba33fe69fe191 --- /dev/null +++ b/Bacteria/Q0FWL3/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 1 237.420 217.191 257.544 1.00 0.00 C +ATOM 2 CA LEU A 2 235.634 219.389 254.996 1.00 0.00 C +ATOM 3 CA GLY A 3 233.003 221.898 253.856 1.00 0.00 C +ATOM 4 CA MET A 4 234.188 225.138 252.239 1.00 0.00 C +ATOM 5 CA GLY A 5 232.755 228.014 254.287 1.00 0.00 C +ATOM 6 CA TRP A 6 233.517 231.672 255.031 1.00 0.00 C +ATOM 7 CA THR A 7 232.400 234.693 252.996 1.00 0.00 C +ATOM 8 CA SER A 8 232.553 235.616 249.303 1.00 0.00 C +ATOM 9 CA GLY A 9 233.640 239.015 247.968 1.00 0.00 C +ATOM 10 CA LEU A 10 235.499 241.952 249.528 1.00 0.00 C +ATOM 11 CA GLU A 11 236.396 244.241 252.439 1.00 0.00 C +ATOM 12 CA ARG A 12 235.704 247.698 253.881 1.00 0.00 C +ATOM 13 CA GLY A 13 236.159 251.297 255.048 1.00 0.00 C +ATOM 14 CA ALA A 14 239.754 252.286 254.263 1.00 0.00 C +ATOM 15 CA ALA A 15 240.830 250.731 250.956 1.00 0.00 C +ATOM 16 CA PRO A 16 243.440 249.823 248.332 1.00 0.00 C +ATOM 17 CA ALA A 17 246.558 249.577 246.156 1.00 0.00 C +ATOM 18 CA SER A 18 247.102 251.924 243.205 1.00 0.00 C +ATOM 19 CA GLY A 19 249.720 250.697 240.724 1.00 0.00 C +ATOM 20 CA ARG A 20 251.598 247.764 242.269 1.00 0.00 C +ATOM 21 CA GLY A 21 252.779 245.432 245.041 1.00 0.00 C +ATOM 22 CA GLY A 22 250.875 245.137 248.327 1.00 0.00 C +ATOM 23 CA ARG A 23 251.966 248.150 250.389 1.00 0.00 C +ATOM 24 CA GLY A 24 253.517 251.553 251.116 1.00 0.00 C +ATOM 25 CA LEU A 25 256.172 253.560 252.971 1.00 0.00 C +ATOM 26 CA ARG A 26 259.327 254.050 250.893 1.00 0.00 C +ATOM 27 CA SER A 27 262.759 255.592 250.294 1.00 0.00 C +ATOM 28 CA ARG A 28 265.004 257.994 248.369 1.00 0.00 C +ATOM 29 CA SER A 29 266.003 260.032 245.309 1.00 0.00 C +ATOM 30 CA ARG A 30 268.807 262.265 244.020 1.00 0.00 C +ATOM 31 CA SER A 31 271.176 263.062 246.896 1.00 0.00 C +ATOM 32 CA ALA A 32 272.380 265.199 249.811 1.00 0.00 C +ATOM 33 CA ARG A 33 271.700 268.936 250.115 1.00 0.00 C +ATOM 34 CA ARG A 34 268.684 271.230 250.516 1.00 0.00 C +ATOM 35 CA TRP A 35 265.319 272.991 250.811 1.00 0.00 C +ATOM 36 CA PRO A 36 265.109 275.337 247.817 1.00 0.00 C +ATOM 37 CA ARG A 37 265.391 278.817 249.343 1.00 0.00 C +ATOM 38 CA ARG A 38 265.160 280.048 252.941 1.00 0.00 C +TER 39 ARG A 38 +END diff --git a/Bacteria/Q0FWM5/Q0FWM5.dcd b/Bacteria/Q0FWM5/Q0FWM5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..69cb250d945d412fb853bcfc3170145d89b7e472 --- /dev/null +++ b/Bacteria/Q0FWM5/Q0FWM5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9e628e806d6266107e8f11ac45d85528eb1c4d20dd4ac2ac716455f70369b463 +size 5600276 diff --git a/Bacteria/Q0FWM5/top.pdb b/Bacteria/Q0FWM5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d9f7c9c5feedde03227a6f559df81ad5cee1f087 --- /dev/null +++ b/Bacteria/Q0FWM5/top.pdb @@ -0,0 +1,44 @@ +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 1 239.690 247.735 246.717 1.00 0.00 C +ATOM 2 CA PRO A 2 241.163 250.330 244.347 1.00 0.00 C +ATOM 3 CA ARG A 3 241.013 251.308 240.668 1.00 0.00 C +ATOM 4 CA SER A 4 243.303 254.345 240.434 1.00 0.00 C +ATOM 5 CA SER A 5 247.040 254.377 241.173 1.00 0.00 C +ATOM 6 CA PRO A 6 249.233 252.236 243.437 1.00 0.00 C +ATOM 7 CA THR A 7 250.312 252.860 247.037 1.00 0.00 C +ATOM 8 CA PRO A 8 253.543 254.222 248.528 1.00 0.00 C +ATOM 9 CA ALA A 9 256.876 254.216 246.682 1.00 0.00 C +ATOM 10 CA SER A 10 260.370 254.188 248.201 1.00 0.00 C +ATOM 11 CA SER A 11 263.785 255.540 249.216 1.00 0.00 C +ATOM 12 CA ARG A 12 265.346 254.396 252.498 1.00 0.00 C +ATOM 13 CA ALA A 13 264.890 255.001 256.232 1.00 0.00 C +ATOM 14 CA SER A 14 263.071 253.608 259.276 1.00 0.00 C +ATOM 15 CA PRO A 15 259.271 253.590 259.539 1.00 0.00 C +ATOM 16 CA PRO A 16 256.765 255.826 261.339 1.00 0.00 C +ATOM 17 CA PRO A 17 257.124 259.422 260.131 1.00 0.00 C +ATOM 18 CA ARG A 18 255.816 260.412 256.692 1.00 0.00 C +ATOM 19 CA ALA A 19 252.674 262.505 257.209 1.00 0.00 C +ATOM 20 CA THR A 20 249.486 260.539 256.509 1.00 0.00 C +ATOM 21 CA CYS A 21 246.388 262.202 255.041 1.00 0.00 C +ATOM 22 CA ARG A 22 243.440 261.900 257.436 1.00 0.00 C +ATOM 23 CA ALA A 23 239.864 260.808 258.169 1.00 0.00 C +ATOM 24 CA GLY A 24 238.893 258.379 255.399 1.00 0.00 C +ATOM 25 CA ARG A 25 240.891 255.769 253.473 1.00 0.00 C +ATOM 26 CA PRO A 26 244.131 253.903 252.739 1.00 0.00 C +ATOM 27 CA ARG A 27 244.775 250.489 254.303 1.00 0.00 C +ATOM 28 CA ARG A 28 244.966 247.604 251.821 1.00 0.00 C +ATOM 29 CA PRO A 29 243.440 244.409 250.413 1.00 0.00 C +ATOM 30 CA THR A 30 244.462 241.239 252.264 1.00 0.00 C +ATOM 31 CA PRO A 31 246.491 238.181 251.241 1.00 0.00 C +ATOM 32 CA SER A 32 245.482 234.721 252.476 1.00 0.00 C +ATOM 33 CA GLY A 33 246.313 232.116 249.823 1.00 0.00 C +ATOM 34 CA GLY A 34 245.896 231.822 246.048 1.00 0.00 C +ATOM 35 CA SER A 35 246.148 233.572 242.673 1.00 0.00 C +ATOM 36 CA SER A 36 249.506 234.214 240.992 1.00 0.00 C +ATOM 37 CA GLY A 37 252.290 236.268 242.589 1.00 0.00 C +ATOM 38 CA THR A 38 254.361 238.459 240.260 1.00 0.00 C +ATOM 39 CA ARG A 39 255.085 241.877 238.741 1.00 0.00 C +ATOM 40 CA SER A 40 256.407 245.414 238.231 1.00 0.00 C +TER 41 SER A 40 +END