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merge=lfs -text +Mammals/Q5XW56/Q5XW56.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q5YAB2/Q5YAB2.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q5YAB3/Q5YAB3.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q5YAB4/Q5YAB4.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q5YAB5/Q5YAB5.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q5YAB6/Q5YAB6.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q5YAB7/Q5YAB7.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q5YCV4/Q5YCV4.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q5YCV8/Q5YCV8.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q5YLN5/Q5YLN5.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q5YLN7/Q5YLN7.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q60500/Q60500.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q60518/Q60518.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q61246/Q61246.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q61356/Q61356.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q61445/Q61445.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q61446/Q61446.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q61566/Q61566.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q61570/Q61570.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q61590/Q61590.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q61947/Q61947.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q62410/Q62410.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q62618/Q62618.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q62620/Q62620.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q62882/Q62882.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q63192/Q63192.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q63281/Q63281.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q63326/Q63326.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q63397/Q63397.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q63512/Q63512.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q63656/Q63656.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q63658/Q63658.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q63660/Q63660.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q63761/Q63761.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q63819/Q63819.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q63828/Q63828.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q63867/Q63867.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q63896/Q63896.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q63962/Q63962.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q63982/Q63982.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q63Z38/Q63Z38.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q64053/Q64053.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q64125/Q64125.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q64243/Q64243.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q64256/Q64256.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q64532/Q64532.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q64FK3/Q64FK3.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q64LJ0/Q64LJ0.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q64LJ3/Q64LJ3.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q64LK3/Q64LK3.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q65YY9/Q65YY9.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q66H40/Q66H40.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q66LL6/Q66LL6.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q679Y0/Q679Y0.dcd filter=lfs diff=lfs merge=lfs -text +Mammals/Q679Z0/Q679Z0.dcd filter=lfs diff=lfs merge=lfs -text diff --git a/Mammals/Q3L1R3/Q3L1R3.dcd b/Mammals/Q3L1R3/Q3L1R3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..4a68d666108c3b6a5fae9d6285902e690319f350 --- /dev/null +++ b/Mammals/Q3L1R3/Q3L1R3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2f02790939726c2485831907c2753ee7c2417a990d18a64573de45778070771e +size 5120276 diff --git a/Mammals/Q3L1R3/top.pdb b/Mammals/Q3L1R3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..94333e92dde489dc42bcd56c794313bbd83ddecc --- /dev/null +++ b/Mammals/Q3L1R3/top.pdb @@ -0,0 +1,40 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 246.662 255.549 259.280 1.00 0.00 C +ATOM 2 CA ALA A 2 245.555 258.984 258.059 1.00 0.00 C +ATOM 3 CA ALA A 3 247.653 262.157 258.274 1.00 0.00 C +ATOM 4 CA GLY A 4 250.289 261.904 261.013 1.00 0.00 C +ATOM 5 CA THR A 5 253.835 261.817 262.404 1.00 0.00 C +ATOM 6 CA ALA A 6 257.106 263.681 261.821 1.00 0.00 C +ATOM 7 CA VAL A 7 258.715 263.113 258.414 1.00 0.00 C +ATOM 8 CA GLY A 8 259.048 261.807 254.851 1.00 0.00 C +ATOM 9 CA ALA A 9 261.059 260.237 252.021 1.00 0.00 C +ATOM 10 CA CYS A 10 262.654 260.276 248.561 1.00 0.00 C +ATOM 11 CA ALA A 11 264.145 263.744 248.047 1.00 0.00 C +ATOM 12 CA SER A 12 263.983 265.754 251.279 1.00 0.00 C +ATOM 13 CA GLY A 13 262.333 269.188 251.275 1.00 0.00 C +ATOM 14 CA GLY A 14 259.479 268.921 248.766 1.00 0.00 C +ATOM 15 CA GLY A 15 256.829 266.183 248.736 1.00 0.00 C +ATOM 16 CA PRO A 16 253.178 265.238 249.271 1.00 0.00 C +ATOM 17 CA ILE A 17 251.128 263.100 251.668 1.00 0.00 C +ATOM 18 CA GLY A 18 251.057 259.505 252.925 1.00 0.00 C +ATOM 19 CA GLY A 19 248.033 257.548 251.682 1.00 0.00 C +ATOM 20 CA GLY A 20 248.663 253.876 250.884 1.00 0.00 C +ATOM 21 CA ALA A 21 246.137 251.672 252.695 1.00 0.00 C +ATOM 22 CA ARG A 22 242.413 251.008 252.240 1.00 0.00 C +ATOM 23 CA ARG A 23 241.394 248.798 249.309 1.00 0.00 C +ATOM 24 CA TRP A 24 241.545 245.011 248.919 1.00 0.00 C +ATOM 25 CA SER A 25 241.181 241.555 247.357 1.00 0.00 C +ATOM 26 CA SER A 26 243.218 238.953 249.254 1.00 0.00 C +ATOM 27 CA SER A 27 243.570 235.301 250.279 1.00 0.00 C +ATOM 28 CA SER A 28 245.017 231.776 250.273 1.00 0.00 C +ATOM 29 CA TRP A 29 247.375 229.364 248.501 1.00 0.00 C +ATOM 30 CA TRP A 30 248.529 227.155 245.619 1.00 0.00 C +ATOM 31 CA ASN A 31 248.734 227.918 241.892 1.00 0.00 C +ATOM 32 CA ARG A 32 247.406 226.958 238.452 1.00 0.00 C +ATOM 33 CA ASN A 33 244.290 225.602 236.729 1.00 0.00 C +ATOM 34 CA PRO A 34 241.650 226.220 234.053 1.00 0.00 C +ATOM 35 CA ASP A 35 238.315 225.683 235.816 1.00 0.00 C +ATOM 36 CA LEU A 36 237.821 224.442 239.384 1.00 0.00 C +TER 37 LEU A 36 +END diff --git a/Mammals/Q3LIG0/Q3LIG0.dcd b/Mammals/Q3LIG0/Q3LIG0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a57879e3cbffad69236ca1577d11b74d2b6e1556 --- /dev/null +++ b/Mammals/Q3LIG0/Q3LIG0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:543d97c5509faccd465a8abbd8684f754ed9c5ae2959d896fe361552239a7fd3 +size 5240276 diff --git a/Mammals/Q3LIG0/top.pdb b/Mammals/Q3LIG0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d716070c9ad290b3523678e0c40ca3b0148596a1 --- /dev/null +++ b/Mammals/Q3LIG0/top.pdb @@ -0,0 +1,41 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LYS A 1 270.284 266.455 229.275 1.00 0.00 C +ATOM 2 CA PRO A 2 269.679 263.039 230.850 1.00 0.00 C +ATOM 3 CA THR A 3 267.947 263.094 234.243 1.00 0.00 C +ATOM 4 CA THR A 4 265.790 261.445 236.916 1.00 0.00 C +ATOM 5 CA LEU A 5 262.681 259.381 236.151 1.00 0.00 C +ATOM 6 CA SER A 6 259.985 260.794 238.443 1.00 0.00 C +ATOM 7 CA LEU A 7 257.078 258.396 239.009 1.00 0.00 C +ATOM 8 CA PRO A 8 253.614 257.283 240.139 1.00 0.00 C +ATOM 9 CA LEU A 9 250.862 259.806 239.378 1.00 0.00 C +ATOM 10 CA THR A 10 248.064 259.504 241.946 1.00 0.00 C +ATOM 11 CA PRO A 11 246.665 258.068 245.186 1.00 0.00 C +ATOM 12 CA GLU A 12 246.950 257.940 248.983 1.00 0.00 C +ATOM 13 CA SER A 13 243.485 257.765 250.558 1.00 0.00 C +ATOM 14 CA PRO A 14 240.309 257.860 252.660 1.00 0.00 C +ATOM 15 CA ASN A 15 237.414 257.943 250.184 1.00 0.00 C +ATOM 16 CA ASP A 16 238.409 256.004 247.059 1.00 0.00 C +ATOM 17 CA PRO A 17 239.877 253.537 244.554 1.00 0.00 C +ATOM 18 CA LYS A 18 238.034 250.630 242.920 1.00 0.00 C +ATOM 19 CA GLY A 19 237.175 247.147 241.636 1.00 0.00 C +ATOM 20 CA SER A 20 235.976 243.569 242.163 1.00 0.00 C +ATOM 21 CA PRO A 21 236.669 240.964 244.855 1.00 0.00 C +ATOM 22 CA PHE A 22 234.899 241.042 248.227 1.00 0.00 C +ATOM 23 CA GLU A 23 237.473 240.542 250.991 1.00 0.00 C +ATOM 24 CA ASN A 24 240.840 241.035 252.705 1.00 0.00 C +ATOM 25 CA LYS A 25 242.969 240.965 255.865 1.00 0.00 C +ATOM 26 CA THR A 26 243.081 240.562 259.651 1.00 0.00 C +ATOM 27 CA ILE A 27 242.961 243.881 261.518 1.00 0.00 C +ATOM 28 CA GLU A 28 245.855 246.095 262.632 1.00 0.00 C +ATOM 29 CA ARG A 29 249.013 247.975 261.628 1.00 0.00 C +ATOM 30 CA THR A 30 252.144 245.807 261.752 1.00 0.00 C +ATOM 31 CA LEU A 31 255.277 243.736 262.393 1.00 0.00 C +ATOM 32 CA SER A 32 256.538 244.105 265.969 1.00 0.00 C +ATOM 33 CA VAL A 33 258.854 241.234 266.925 1.00 0.00 C +ATOM 34 CA GLU A 34 259.343 238.063 268.979 1.00 0.00 C +ATOM 35 CA LEU A 35 261.866 235.329 268.156 1.00 0.00 C +ATOM 36 CA SER A 36 261.905 234.740 264.392 1.00 0.00 C +ATOM 37 CA GLY A 37 260.034 234.264 261.108 1.00 0.00 C +TER 38 GLY A 37 +END diff --git a/Mammals/Q3LUA0/Q3LUA0.dcd b/Mammals/Q3LUA0/Q3LUA0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f33de9c6ba385d041be41741386a2bbb129b5757 --- /dev/null +++ b/Mammals/Q3LUA0/Q3LUA0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:900f3397ac48abf7b172699d6d34a167201e55a8685bcade5fdac9cef3eede0e +size 6200276 diff --git a/Mammals/Q3LUA0/top.pdb b/Mammals/Q3LUA0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..24f5351c1fa0a757c9bd533ff25b1f7dd6bf5c4a --- /dev/null +++ b/Mammals/Q3LUA0/top.pdb @@ -0,0 +1,49 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ASN A 1 253.618 218.201 238.682 1.00 0.00 C +ATOM 2 CA GLU A 2 255.898 221.122 239.569 1.00 0.00 C +ATOM 3 CA VAL A 3 258.411 221.231 236.707 1.00 0.00 C +ATOM 4 CA ALA A 4 258.628 224.533 234.818 1.00 0.00 C +ATOM 5 CA GLY A 5 257.608 228.066 235.815 1.00 0.00 C +ATOM 6 CA GLY A 6 257.156 231.465 237.475 1.00 0.00 C +ATOM 7 CA VAL A 7 254.886 230.853 240.473 1.00 0.00 C +ATOM 8 CA GLY A 8 252.202 229.851 242.985 1.00 0.00 C +ATOM 9 CA ASP A 9 253.423 229.893 246.594 1.00 0.00 C +ATOM 10 CA THR A 10 254.990 232.717 248.615 1.00 0.00 C +ATOM 11 CA ARG A 11 254.114 236.422 248.763 1.00 0.00 C +ATOM 12 CA ASN A 12 250.409 237.112 249.322 1.00 0.00 C +ATOM 13 CA SER A 13 249.254 240.718 248.901 1.00 0.00 C +ATOM 14 CA ALA A 14 250.549 243.647 250.964 1.00 0.00 C +ATOM 15 CA ILE A 15 250.988 247.064 249.335 1.00 0.00 C +ATOM 16 CA SER A 16 248.429 249.787 248.593 1.00 0.00 C +ATOM 17 CA PHE A 17 244.670 250.117 248.064 1.00 0.00 C +ATOM 18 CA ASP A 18 243.604 252.806 250.544 1.00 0.00 C +ATOM 19 CA ASN A 19 240.158 254.430 250.499 1.00 0.00 C +ATOM 20 CA SER A 20 237.355 251.939 249.828 1.00 0.00 C +ATOM 21 CA GLY A 21 236.289 249.229 247.371 1.00 0.00 C +ATOM 22 CA ILE A 22 236.762 250.478 243.803 1.00 0.00 C +ATOM 23 CA GLN A 23 235.326 251.701 240.493 1.00 0.00 C +ATOM 24 CA TYR A 24 237.629 254.534 239.406 1.00 0.00 C +ATOM 25 CA ARG A 25 239.607 256.894 237.162 1.00 0.00 C +ATOM 26 CA LYS A 26 242.500 258.957 235.787 1.00 0.00 C +ATOM 27 CA GLN A 27 241.891 262.654 236.475 1.00 0.00 C +ATOM 28 CA SER A 28 243.653 265.712 237.911 1.00 0.00 C +ATOM 29 CA MET A 29 244.070 265.568 241.696 1.00 0.00 C +ATOM 30 CA PRO A 30 246.119 266.430 244.789 1.00 0.00 C +ATOM 31 CA ARG A 31 245.300 264.260 247.812 1.00 0.00 C +ATOM 32 CA GLU A 32 247.370 265.320 250.829 1.00 0.00 C +ATOM 33 CA GLY A 33 247.584 262.634 253.522 1.00 0.00 C +ATOM 34 CA HIS A 34 246.944 261.977 257.220 1.00 0.00 C +ATOM 35 CA GLY A 35 247.310 263.873 260.504 1.00 0.00 C +ATOM 36 CA ARG A 36 247.223 262.205 263.929 1.00 0.00 C +ATOM 37 CA PHE A 37 250.730 262.014 265.406 1.00 0.00 C +ATOM 38 CA LEU A 38 253.392 259.876 263.715 1.00 0.00 C +ATOM 39 CA GLY A 39 257.007 258.871 263.050 1.00 0.00 C +ATOM 40 CA ASP A 40 260.502 259.187 264.532 1.00 0.00 C +ATOM 41 CA ARG A 41 260.857 258.173 268.187 1.00 0.00 C +ATOM 42 CA SER A 42 263.291 260.366 270.132 1.00 0.00 C +ATOM 43 CA LEU A 43 264.551 262.321 273.150 1.00 0.00 C +ATOM 44 CA PRO A 44 264.782 266.032 272.319 1.00 0.00 C +ATOM 45 CA HIS A 45 262.960 268.762 274.254 1.00 0.00 C +TER 46 HIS A 45 +END diff --git a/Mammals/Q3MUQ6/Q3MUQ6.dcd b/Mammals/Q3MUQ6/Q3MUQ6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..54ffbb807fc9a339d4fd228324b2e077f8debdc1 --- /dev/null +++ b/Mammals/Q3MUQ6/Q3MUQ6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:69e94b7a50114f553a9a1c173bc00ea503cc8f85d6e2d5a5726cdc5fc72a1593 +size 11600276 diff --git a/Mammals/Q3MUQ6/top.pdb b/Mammals/Q3MUQ6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c2639ceb5c3bcd6e78a456b646598a43a27bbd67 --- /dev/null +++ b/Mammals/Q3MUQ6/top.pdb @@ -0,0 +1,94 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLN A 1 216.668 215.290 256.446 1.00 0.00 C +ATOM 2 CA ASN A 2 220.180 216.699 256.883 1.00 0.00 C +ATOM 3 CA LEU A 3 222.720 216.704 259.723 1.00 0.00 C +ATOM 4 CA PHE A 4 226.422 215.920 259.279 1.00 0.00 C +ATOM 5 CA GLN A 5 229.832 215.649 260.957 1.00 0.00 C +ATOM 6 CA SER A 6 229.153 214.971 264.644 1.00 0.00 C +ATOM 7 CA VAL A 7 229.840 218.182 266.577 1.00 0.00 C +ATOM 8 CA ARG A 8 233.276 218.571 268.176 1.00 0.00 C +ATOM 9 CA GLU A 9 236.456 220.179 269.525 1.00 0.00 C +ATOM 10 CA VAL A 10 239.824 220.969 267.928 1.00 0.00 C +ATOM 11 CA ILE A 11 240.227 222.074 264.304 1.00 0.00 C +ATOM 12 CA GLN A 12 237.744 224.137 262.281 1.00 0.00 C +ATOM 13 CA ASN A 13 234.006 224.862 262.146 1.00 0.00 C +ATOM 14 CA PRO A 14 233.128 227.576 264.672 1.00 0.00 C +ATOM 15 CA GLY A 15 230.686 227.930 267.575 1.00 0.00 C +ATOM 16 CA PRO A 16 232.712 228.190 270.792 1.00 0.00 C +ATOM 17 CA ARG A 17 234.054 231.045 272.928 1.00 0.00 C +ATOM 18 CA HIS A 18 233.285 231.933 276.552 1.00 0.00 C +ATOM 19 CA PRO A 19 229.971 233.008 278.093 1.00 0.00 C +ATOM 20 CA GLU A 20 226.305 233.134 279.122 1.00 0.00 C +ATOM 21 CA ALA A 21 224.002 232.032 281.951 1.00 0.00 C +ATOM 22 CA ALA A 22 220.387 231.616 283.081 1.00 0.00 C +ATOM 23 CA SER A 23 220.112 228.622 285.421 1.00 0.00 C +ATOM 24 CA ALA A 24 217.142 226.407 284.533 1.00 0.00 C +ATOM 25 CA ALA A 25 215.743 224.122 281.824 1.00 0.00 C +ATOM 26 CA PRO A 26 215.015 225.457 278.331 1.00 0.00 C +ATOM 27 CA PRO A 27 218.121 225.585 276.129 1.00 0.00 C +ATOM 28 CA GLY A 28 221.160 223.291 276.269 1.00 0.00 C +ATOM 29 CA ALA A 29 222.036 220.127 274.336 1.00 0.00 C +ATOM 30 CA SER A 30 221.371 220.833 270.652 1.00 0.00 C +ATOM 31 CA LEU A 31 220.356 224.268 269.354 1.00 0.00 C +ATOM 32 CA LEU A 32 221.314 227.455 267.497 1.00 0.00 C +ATOM 33 CA LEU A 33 223.355 229.445 270.025 1.00 0.00 C +ATOM 34 CA GLN A 34 225.548 232.560 270.056 1.00 0.00 C +ATOM 35 CA GLN A 35 227.379 233.305 266.798 1.00 0.00 C +ATOM 36 CA GLN A 36 226.100 231.752 263.563 1.00 0.00 C +ATOM 37 CA GLN A 37 227.189 234.083 260.753 1.00 0.00 C +ATOM 38 CA GLN A 38 230.433 235.646 261.998 1.00 0.00 C +ATOM 39 CA GLN A 39 233.755 237.312 262.839 1.00 0.00 C +ATOM 40 CA GLN A 40 235.707 237.909 259.623 1.00 0.00 C +ATOM 41 CA GLN A 41 234.054 238.450 256.233 1.00 0.00 C +ATOM 42 CA GLN A 42 232.491 241.455 254.489 1.00 0.00 C +ATOM 43 CA GLN A 43 234.226 244.376 252.766 1.00 0.00 C +ATOM 44 CA GLN A 44 237.138 246.705 253.552 1.00 0.00 C +ATOM 45 CA GLN A 45 236.002 250.099 254.856 1.00 0.00 C +ATOM 46 CA GLN A 46 236.590 253.128 252.621 1.00 0.00 C +ATOM 47 CA GLN A 47 237.589 256.036 250.371 1.00 0.00 C +ATOM 48 CA GLN A 48 240.931 257.438 249.195 1.00 0.00 C +ATOM 49 CA GLN A 49 244.410 258.725 248.328 1.00 0.00 C +ATOM 50 CA GLN A 50 248.111 258.905 247.439 1.00 0.00 C +ATOM 51 CA GLN A 51 250.917 261.196 246.259 1.00 0.00 C +ATOM 52 CA GLN A 52 253.452 263.930 245.477 1.00 0.00 C +ATOM 53 CA GLN A 53 253.594 265.403 241.966 1.00 0.00 C +ATOM 54 CA GLU A 54 253.085 269.174 241.761 1.00 0.00 C +ATOM 55 CA THR A 55 256.553 270.670 241.258 1.00 0.00 C +ATOM 56 CA SER A 56 259.287 273.281 241.734 1.00 0.00 C +ATOM 57 CA PRO A 57 262.222 272.552 239.417 1.00 0.00 C +ATOM 58 CA ARG A 58 264.943 270.104 238.359 1.00 0.00 C +ATOM 59 CA GLN A 59 267.579 271.894 236.270 1.00 0.00 C +ATOM 60 CA GLN A 60 270.167 271.164 233.572 1.00 0.00 C +ATOM 61 CA GLN A 61 273.506 269.332 233.682 1.00 0.00 C +ATOM 62 CA GLN A 62 275.465 268.821 236.909 1.00 0.00 C +ATOM 63 CA GLN A 63 278.870 267.111 236.859 1.00 0.00 C +ATOM 64 CA GLY A 64 279.267 264.816 233.844 1.00 0.00 C +ATOM 65 CA GLU A 65 279.082 265.584 230.116 1.00 0.00 C +ATOM 66 CA ASP A 66 282.397 265.055 228.314 1.00 0.00 C +ATOM 67 CA GLY A 67 285.322 267.320 227.404 1.00 0.00 C +ATOM 68 CA SER A 68 285.147 271.124 227.519 1.00 0.00 C +ATOM 69 CA PRO A 69 285.291 274.709 228.802 1.00 0.00 C +ATOM 70 CA GLN A 70 285.032 276.553 232.126 1.00 0.00 C +ATOM 71 CA ALA A 71 283.382 279.959 232.566 1.00 0.00 C +ATOM 72 CA HIS A 72 283.981 283.696 233.006 1.00 0.00 C +ATOM 73 CA ARG A 73 284.457 285.546 229.709 1.00 0.00 C +ATOM 74 CA ARG A 74 284.912 286.717 226.112 1.00 0.00 C +ATOM 75 CA GLY A 75 288.222 285.598 224.594 1.00 0.00 C +ATOM 76 CA PRO A 76 290.841 282.909 223.940 1.00 0.00 C +ATOM 77 CA THR A 77 291.939 282.061 220.392 1.00 0.00 C +ATOM 78 CA GLY A 78 290.856 278.543 219.409 1.00 0.00 C +ATOM 79 CA TYR A 79 290.661 276.511 216.192 1.00 0.00 C +ATOM 80 CA LEU A 80 287.175 274.980 216.048 1.00 0.00 C +ATOM 81 CA VAL A 81 283.954 275.401 218.039 1.00 0.00 C +ATOM 82 CA LEU A 82 284.816 276.792 221.480 1.00 0.00 C +ATOM 83 CA ASP A 83 282.526 278.286 224.132 1.00 0.00 C +ATOM 84 CA GLU A 84 278.945 277.613 225.245 1.00 0.00 C +ATOM 85 CA GLU A 85 275.850 278.930 227.035 1.00 0.00 C +ATOM 86 CA GLN A 86 274.030 276.325 229.136 1.00 0.00 C +ATOM 87 CA GLN A 87 272.919 273.428 226.924 1.00 0.00 C +ATOM 88 CA PRO A 88 269.673 272.029 225.503 1.00 0.00 C +ATOM 89 CA SER A 89 267.588 275.082 224.584 1.00 0.00 C +ATOM 90 CA GLN A 90 267.839 275.636 220.822 1.00 0.00 C +TER 91 GLN A 90 +END diff --git a/Mammals/Q3S2J1/Q3S2J1.dcd b/Mammals/Q3S2J1/Q3S2J1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c80b243229b24255a641160ae4985d607e6e9af7 --- /dev/null +++ b/Mammals/Q3S2J1/Q3S2J1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:90df2632bdb79948abb9d410bc5fe7cfd4f70e71a106136dffa6d5c6d7da00c0 +size 18680276 diff --git a/Mammals/Q3S2J1/top.pdb b/Mammals/Q3S2J1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8557867cc50de1f3424356bd89993b91fc693ff0 --- /dev/null +++ b/Mammals/Q3S2J1/top.pdb @@ -0,0 +1,153 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 256.501 254.712 215.309 1.00 0.00 C +ATOM 2 CA ALA A 2 253.138 252.944 215.588 1.00 0.00 C +ATOM 3 CA GLU A 3 249.506 253.023 214.440 1.00 0.00 C +ATOM 4 CA PRO A 4 246.349 252.637 216.537 1.00 0.00 C +ATOM 5 CA ARG A 5 244.947 251.344 219.835 1.00 0.00 C +ATOM 6 CA GLN A 6 244.338 249.098 222.852 1.00 0.00 C +ATOM 7 CA GLU A 7 247.656 247.376 223.588 1.00 0.00 C +ATOM 8 CA PHE A 8 250.708 245.121 223.930 1.00 0.00 C +ATOM 9 CA ASP A 9 250.284 241.389 223.291 1.00 0.00 C +ATOM 10 CA THR A 10 248.272 238.192 223.791 1.00 0.00 C +ATOM 11 CA MET A 11 246.765 235.376 225.868 1.00 0.00 C +ATOM 12 CA GLU A 12 243.028 235.194 225.149 1.00 0.00 C +ATOM 13 CA ASP A 13 240.225 232.650 225.580 1.00 0.00 C +ATOM 14 CA GLN A 14 240.602 228.880 225.173 1.00 0.00 C +ATOM 15 CA ALA A 15 244.356 228.232 225.128 1.00 0.00 C +ATOM 16 CA GLY A 16 245.621 227.397 228.624 1.00 0.00 C +ATOM 17 CA ASP A 17 246.788 225.707 231.833 1.00 0.00 C +ATOM 18 CA TYR A 18 247.137 222.352 233.605 1.00 0.00 C +ATOM 19 CA THR A 19 249.902 219.966 234.689 1.00 0.00 C +ATOM 20 CA MET A 20 253.583 218.985 234.629 1.00 0.00 C +ATOM 21 CA LEU A 21 255.546 216.404 232.628 1.00 0.00 C +ATOM 22 CA GLN A 22 257.810 214.066 230.647 1.00 0.00 C +ATOM 23 CA ASP A 23 261.487 213.198 230.151 1.00 0.00 C +ATOM 24 CA GLN A 24 262.939 209.993 231.613 1.00 0.00 C +ATOM 25 CA GLU A 25 265.497 207.390 230.518 1.00 0.00 C +ATOM 26 CA GLY A 26 268.201 209.012 228.379 1.00 0.00 C +ATOM 27 CA ASP A 27 267.750 212.678 227.446 1.00 0.00 C +ATOM 28 CA MET A 28 269.407 215.630 225.697 1.00 0.00 C +ATOM 29 CA ASP A 29 268.676 219.118 227.045 1.00 0.00 C +ATOM 30 CA HIS A 30 271.876 221.045 227.793 1.00 0.00 C +ATOM 31 CA GLY A 31 273.629 219.231 230.648 1.00 0.00 C +ATOM 32 CA LEU A 32 276.959 220.899 231.451 1.00 0.00 C +ATOM 33 CA LYS A 33 279.489 221.714 234.181 1.00 0.00 C +ATOM 34 CA GLU A 34 281.938 222.511 236.988 1.00 0.00 C +ATOM 35 CA SER A 35 280.349 225.312 239.025 1.00 0.00 C +ATOM 36 CA PRO A 36 278.491 227.985 237.046 1.00 0.00 C +ATOM 37 CA PRO A 37 278.312 230.329 234.047 1.00 0.00 C +ATOM 38 CA GLN A 38 276.274 233.340 235.187 1.00 0.00 C +ATOM 39 CA PRO A 39 275.578 236.471 233.131 1.00 0.00 C +ATOM 40 CA PRO A 40 271.810 236.990 233.351 1.00 0.00 C +ATOM 41 CA ALA A 41 269.736 239.916 234.638 1.00 0.00 C +ATOM 42 CA ASP A 42 267.462 242.873 235.413 1.00 0.00 C +ATOM 43 CA ASP A 43 267.460 244.396 238.905 1.00 0.00 C +ATOM 44 CA GLY A 44 266.296 246.840 241.586 1.00 0.00 C +ATOM 45 CA SER A 45 266.802 250.616 241.645 1.00 0.00 C +ATOM 46 CA GLU A 46 264.795 251.880 238.663 1.00 0.00 C +ATOM 47 CA GLU A 47 265.331 255.632 238.276 1.00 0.00 C +ATOM 48 CA PRO A 48 268.292 257.945 238.910 1.00 0.00 C +ATOM 49 CA GLY A 49 270.129 260.332 236.578 1.00 0.00 C +ATOM 50 CA SER A 50 273.708 260.734 235.334 1.00 0.00 C +ATOM 51 CA GLU A 51 276.646 259.724 233.129 1.00 0.00 C +ATOM 52 CA THR A 52 278.679 261.069 230.201 1.00 0.00 C +ATOM 53 CA SER A 53 281.156 263.787 231.199 1.00 0.00 C +ATOM 54 CA ASP A 54 284.315 265.529 232.424 1.00 0.00 C +ATOM 55 CA ALA A 55 283.643 269.277 232.541 1.00 0.00 C +ATOM 56 CA LYS A 56 285.860 270.878 229.888 1.00 0.00 C +ATOM 57 CA SER A 57 285.638 273.847 227.511 1.00 0.00 C +ATOM 58 CA THR A 58 285.054 277.533 228.282 1.00 0.00 C +ATOM 59 CA PRO A 59 282.696 280.510 228.575 1.00 0.00 C +ATOM 60 CA THR A 60 280.903 280.672 231.933 1.00 0.00 C +ATOM 61 CA ALA A 61 277.257 281.383 232.779 1.00 0.00 C +ATOM 62 CA GLU A 62 273.581 280.771 233.573 1.00 0.00 C +ATOM 63 CA GLU A 63 270.950 280.128 236.253 1.00 0.00 C +ATOM 64 CA ALA A 64 267.430 278.839 235.570 1.00 0.00 C +ATOM 65 CA GLU A 65 266.201 278.240 232.014 1.00 0.00 C +ATOM 66 CA GLU A 66 267.274 275.032 230.261 1.00 0.00 C +ATOM 67 CA ALA A 67 265.373 272.671 227.952 1.00 0.00 C +ATOM 68 CA GLY A 68 262.088 271.814 229.680 1.00 0.00 C +ATOM 69 CA ILE A 69 261.627 270.641 233.276 1.00 0.00 C +ATOM 70 CA GLY A 70 259.009 267.875 233.354 1.00 0.00 C +ATOM 71 CA ASP A 71 255.309 267.048 232.977 1.00 0.00 C +ATOM 72 CA THR A 72 252.171 268.740 231.632 1.00 0.00 C +ATOM 73 CA PRO A 73 248.780 268.178 229.988 1.00 0.00 C +ATOM 74 CA ASN A 74 246.082 266.476 232.071 1.00 0.00 C +ATOM 75 CA MET A 75 246.284 263.226 234.050 1.00 0.00 C +ATOM 76 CA GLU A 76 248.678 261.033 236.043 1.00 0.00 C +ATOM 77 CA ASP A 77 251.832 259.070 235.197 1.00 0.00 C +ATOM 78 CA GLN A 78 250.985 255.379 234.773 1.00 0.00 C +ATOM 79 CA ALA A 79 254.066 253.295 233.948 1.00 0.00 C +ATOM 80 CA ALA A 80 254.961 249.949 235.535 1.00 0.00 C +ATOM 81 CA GLY A 81 258.650 249.126 235.059 1.00 0.00 C +ATOM 82 CA HIS A 82 261.485 246.755 235.984 1.00 0.00 C +ATOM 83 CA VAL A 83 261.525 243.121 237.127 1.00 0.00 C +ATOM 84 CA THR A 84 260.285 241.230 240.193 1.00 0.00 C +ATOM 85 CA GLN A 85 258.420 242.320 243.331 1.00 0.00 C +ATOM 86 CA ALA A 86 257.772 241.486 246.992 1.00 0.00 C +ATOM 87 CA ARG A 87 254.667 242.134 249.103 1.00 0.00 C +ATOM 88 CA VAL A 88 251.385 242.748 250.937 1.00 0.00 C +ATOM 89 CA ALA A 89 248.501 245.231 250.766 1.00 0.00 C +ATOM 90 CA GLY A 90 247.012 247.690 248.265 1.00 0.00 C +ATOM 91 CA VAL A 91 247.630 251.441 248.521 1.00 0.00 C +ATOM 92 CA SER A 92 245.463 252.931 245.764 1.00 0.00 C +ATOM 93 CA LYS A 93 244.804 255.375 242.917 1.00 0.00 C +ATOM 94 CA ASP A 94 241.475 255.548 241.072 1.00 0.00 C +ATOM 95 CA ARG A 95 238.805 253.285 242.578 1.00 0.00 C +ATOM 96 CA THR A 96 235.485 253.702 244.400 1.00 0.00 C +ATOM 97 CA GLY A 97 234.813 250.501 246.353 1.00 0.00 C +ATOM 98 CA ASN A 98 236.133 247.573 248.402 1.00 0.00 C +ATOM 99 CA ASP A 99 237.566 247.999 251.906 1.00 0.00 C +ATOM 100 CA GLU A 100 237.355 251.214 253.940 1.00 0.00 C +ATOM 101 CA LYS A 101 235.002 251.543 256.919 1.00 0.00 C +ATOM 102 CA LYS A 102 234.865 249.935 260.370 1.00 0.00 C +ATOM 103 CA ALA A 103 231.386 249.749 261.912 1.00 0.00 C +ATOM 104 CA LYS A 104 230.861 252.625 264.356 1.00 0.00 C +ATOM 105 CA GLY A 105 231.446 256.298 265.182 1.00 0.00 C +ATOM 106 CA ALA A 106 232.357 257.523 268.673 1.00 0.00 C +ATOM 107 CA ASP A 107 235.628 257.436 270.623 1.00 0.00 C +ATOM 108 CA GLY A 108 235.078 257.984 274.353 1.00 0.00 C +ATOM 109 CA LYS A 109 234.213 258.339 278.047 1.00 0.00 C +ATOM 110 CA THR A 110 233.880 258.171 281.838 1.00 0.00 C +ATOM 111 CA GLY A 111 231.451 260.964 282.742 1.00 0.00 C +ATOM 112 CA ALA A 112 229.006 262.122 285.425 1.00 0.00 C +ATOM 113 CA LYS A 113 228.210 263.372 288.935 1.00 0.00 C +ATOM 114 CA ILE A 114 224.424 263.480 289.348 1.00 0.00 C +ATOM 115 CA ALA A 115 222.375 261.117 291.523 1.00 0.00 C +ATOM 116 CA THR A 116 220.519 258.038 290.259 1.00 0.00 C +ATOM 117 CA PRO A 117 220.110 256.580 286.763 1.00 0.00 C +ATOM 118 CA ARG A 118 219.136 257.827 283.297 1.00 0.00 C +ATOM 119 CA GLY A 119 221.970 258.530 280.849 1.00 0.00 C +ATOM 120 CA ALA A 120 225.441 259.132 279.398 1.00 0.00 C +ATOM 121 CA ALA A 121 226.919 255.826 278.212 1.00 0.00 C +ATOM 122 CA THR A 122 230.033 254.035 276.944 1.00 0.00 C +ATOM 123 CA PRO A 123 229.897 251.163 274.443 1.00 0.00 C +ATOM 124 CA GLY A 124 232.408 248.327 274.852 1.00 0.00 C +ATOM 125 CA GLN A 125 230.540 245.279 276.169 1.00 0.00 C +ATOM 126 CA LYS A 126 231.774 242.051 277.774 1.00 0.00 C +ATOM 127 CA GLY A 127 229.802 238.791 277.743 1.00 0.00 C +ATOM 128 CA THR A 128 226.207 238.720 279.001 1.00 0.00 C +ATOM 129 CA SER A 129 225.198 239.208 282.642 1.00 0.00 C +ATOM 130 CA ASN A 130 224.618 242.662 284.141 1.00 0.00 C +ATOM 131 CA ALA A 131 225.138 245.216 286.920 1.00 0.00 C +ATOM 132 CA THR A 132 228.375 247.192 287.279 1.00 0.00 C +ATOM 133 CA ARG A 133 228.018 250.742 288.615 1.00 0.00 C +ATOM 134 CA ILE A 134 231.433 252.281 289.310 1.00 0.00 C +ATOM 135 CA PRO A 135 233.541 250.136 291.649 1.00 0.00 C +ATOM 136 CA ALA A 136 237.114 250.183 290.328 1.00 0.00 C +ATOM 137 CA LYS A 137 240.006 252.376 291.490 1.00 0.00 C +ATOM 138 CA THR A 138 238.578 255.600 292.934 1.00 0.00 C +ATOM 139 CA THR A 139 238.547 259.014 291.244 1.00 0.00 C +ATOM 140 CA PRO A 140 236.486 261.041 288.762 1.00 0.00 C +ATOM 141 CA SER A 141 237.267 264.708 289.441 1.00 0.00 C +ATOM 142 CA PRO A 142 236.263 267.408 291.934 1.00 0.00 C +ATOM 143 CA LYS A 143 233.186 268.201 294.037 1.00 0.00 C +ATOM 144 CA THR A 144 229.451 267.579 294.462 1.00 0.00 C +ATOM 145 CA PRO A 145 226.219 266.478 296.151 1.00 0.00 C +ATOM 146 CA PRO A 146 222.707 265.005 296.271 1.00 0.00 C +ATOM 147 CA GLY A 147 219.364 266.313 297.547 1.00 0.00 C +ATOM 148 CA SER A 148 215.735 266.496 296.401 1.00 0.00 C +ATOM 149 CA GLY A 149 212.325 268.124 295.918 1.00 0.00 C +TER 150 GLY A 149 +END diff --git a/Mammals/Q3SWU7/Q3SWU7.dcd b/Mammals/Q3SWU7/Q3SWU7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c0aa7d28bd720da932c179a112049aa4c1edd1a2 --- /dev/null +++ b/Mammals/Q3SWU7/Q3SWU7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1d8610fe60981938ea45c68ab1947724c2da8801220d58846b4115c2da1c5109 +size 10640276 diff --git a/Mammals/Q3SWU7/top.pdb b/Mammals/Q3SWU7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ed1e14b2bf05c51887ba685256346238662d62ad --- /dev/null +++ b/Mammals/Q3SWU7/top.pdb @@ -0,0 +1,86 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 223.490 208.843 197.405 1.00 0.00 C +ATOM 2 CA PRO A 2 224.183 205.570 199.228 1.00 0.00 C +ATOM 3 CA GLY A 3 226.731 205.420 202.056 1.00 0.00 C +ATOM 4 CA LYS A 4 228.619 207.186 204.856 1.00 0.00 C +ATOM 5 CA LEU A 5 229.859 210.231 206.780 1.00 0.00 C +ATOM 6 CA ARG A 6 233.313 211.242 208.030 1.00 0.00 C +ATOM 7 CA SER A 7 236.524 213.285 208.202 1.00 0.00 C +ATOM 8 CA ASP A 8 240.069 214.393 209.053 1.00 0.00 C +ATOM 9 CA ALA A 9 241.782 217.517 210.403 1.00 0.00 C +ATOM 10 CA GLY A 10 243.556 220.777 211.264 1.00 0.00 C +ATOM 11 CA LEU A 11 244.725 224.264 212.260 1.00 0.00 C +ATOM 12 CA GLU A 12 247.929 224.704 214.275 1.00 0.00 C +ATOM 13 CA SER A 13 247.340 226.487 217.590 1.00 0.00 C +ATOM 14 CA ASP A 14 248.862 224.905 220.704 1.00 0.00 C +ATOM 15 CA THR A 15 246.671 223.421 223.445 1.00 0.00 C +ATOM 16 CA ALA A 16 243.599 225.550 224.185 1.00 0.00 C +ATOM 17 CA MET A 17 244.945 228.889 225.434 1.00 0.00 C +ATOM 18 CA LYS A 18 243.186 230.830 228.200 1.00 0.00 C +ATOM 19 CA LYS A 19 239.829 229.797 229.676 1.00 0.00 C +ATOM 20 CA GLY A 20 237.519 227.774 231.931 1.00 0.00 C +ATOM 21 CA GLU A 21 237.434 226.585 235.550 1.00 0.00 C +ATOM 22 CA THR A 22 235.431 227.660 238.607 1.00 0.00 C +ATOM 23 CA LEU A 23 236.779 229.621 241.582 1.00 0.00 C +ATOM 24 CA ARG A 24 235.218 228.469 244.862 1.00 0.00 C +ATOM 25 CA LYS A 25 237.536 229.431 247.729 1.00 0.00 C +ATOM 26 CA GLN A 26 238.798 231.099 250.913 1.00 0.00 C +ATOM 27 CA THR A 27 238.147 234.216 253.006 1.00 0.00 C +ATOM 28 CA GLU A 28 239.876 236.508 255.510 1.00 0.00 C +ATOM 29 CA GLU A 29 242.821 238.913 255.277 1.00 0.00 C +ATOM 30 CA LYS A 30 242.437 242.375 253.733 1.00 0.00 C +ATOM 31 CA GLU A 31 241.554 245.943 254.737 1.00 0.00 C +ATOM 32 CA LYS A 32 240.684 249.486 255.836 1.00 0.00 C +ATOM 33 CA LYS A 33 241.888 252.930 256.934 1.00 0.00 C +ATOM 34 CA GLU A 34 240.890 255.032 259.951 1.00 0.00 C +ATOM 35 CA LYS A 35 239.870 252.885 262.929 1.00 0.00 C +ATOM 36 CA PRO A 36 241.287 249.428 263.677 1.00 0.00 C +ATOM 37 CA LYS A 37 244.588 247.686 262.913 1.00 0.00 C +ATOM 38 CA SER A 38 246.304 246.301 259.806 1.00 0.00 C +ATOM 39 CA ASP A 39 248.785 244.935 257.258 1.00 0.00 C +ATOM 40 CA LYS A 40 248.655 241.378 255.898 1.00 0.00 C +ATOM 41 CA THR A 41 251.441 239.189 257.299 1.00 0.00 C +ATOM 42 CA GLU A 42 253.682 238.995 260.374 1.00 0.00 C +ATOM 43 CA GLU A 43 256.392 236.567 261.502 1.00 0.00 C +ATOM 44 CA ILE A 44 260.001 236.139 262.646 1.00 0.00 C +ATOM 45 CA ALA A 45 262.686 238.170 264.431 1.00 0.00 C +ATOM 46 CA GLU A 46 264.678 241.415 264.316 1.00 0.00 C +ATOM 47 CA GLU A 47 262.975 243.940 262.027 1.00 0.00 C +ATOM 48 CA GLU A 48 261.860 247.581 261.924 1.00 0.00 C +ATOM 49 CA GLU A 49 263.719 249.623 264.550 1.00 0.00 C +ATOM 50 CA THR A 50 264.676 252.737 266.525 1.00 0.00 C +ATOM 51 CA VAL A 51 262.915 254.507 269.402 1.00 0.00 C +ATOM 52 CA PHE A 52 262.266 258.261 269.408 1.00 0.00 C +ATOM 53 CA PRO A 53 261.055 260.955 267.002 1.00 0.00 C +ATOM 54 CA LYS A 54 263.088 263.159 264.651 1.00 0.00 C +ATOM 55 CA ALA A 55 266.806 263.868 264.213 1.00 0.00 C +ATOM 56 CA LYS A 56 269.232 263.719 267.147 1.00 0.00 C +ATOM 57 CA GLN A 57 270.278 262.462 270.588 1.00 0.00 C +ATOM 58 CA VAL A 58 268.388 262.521 273.896 1.00 0.00 C +ATOM 59 CA LYS A 59 264.604 262.928 273.718 1.00 0.00 C +ATOM 60 CA LYS A 60 263.108 266.211 272.492 1.00 0.00 C +ATOM 61 CA LYS A 61 261.633 267.954 269.442 1.00 0.00 C +ATOM 62 CA ALA A 62 258.795 270.281 268.420 1.00 0.00 C +ATOM 63 CA GLU A 63 258.305 271.174 264.748 1.00 0.00 C +ATOM 64 CA PRO A 64 256.978 272.174 261.320 1.00 0.00 C +ATOM 65 CA SER A 65 254.487 272.229 258.437 1.00 0.00 C +ATOM 66 CA GLU A 66 250.804 271.317 258.094 1.00 0.00 C +ATOM 67 CA VAL A 67 248.965 274.541 257.235 1.00 0.00 C +ATOM 68 CA ASP A 68 247.318 277.886 256.451 1.00 0.00 C +ATOM 69 CA MET A 69 245.279 280.842 257.724 1.00 0.00 C +ATOM 70 CA ASN A 70 247.498 283.893 258.249 1.00 0.00 C +ATOM 71 CA SER A 71 249.366 286.577 256.293 1.00 0.00 C +ATOM 72 CA PRO A 72 252.930 287.807 256.842 1.00 0.00 C +ATOM 73 CA LYS A 73 255.595 288.393 259.500 1.00 0.00 C +ATOM 74 CA SER A 74 257.496 290.562 261.990 1.00 0.00 C +ATOM 75 CA LYS A 75 259.264 292.160 264.963 1.00 0.00 C +ATOM 76 CA LYS A 76 262.222 294.561 265.002 1.00 0.00 C +ATOM 77 CA LYS A 77 263.962 296.391 267.855 1.00 0.00 C +ATOM 78 CA LYS A 78 263.834 298.528 271.007 1.00 0.00 C +ATOM 79 CA LYS A 79 265.901 298.380 274.205 1.00 0.00 C +ATOM 80 CA LYS A 80 264.434 297.633 277.641 1.00 0.00 C +ATOM 81 CA LYS A 81 264.156 295.320 280.656 1.00 0.00 C +ATOM 82 CA LYS A 82 265.212 296.484 284.127 1.00 0.00 C +TER 83 LYS A 82 +END diff --git a/Mammals/Q3SWV2/Q3SWV2.dcd b/Mammals/Q3SWV2/Q3SWV2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..15be699180e7ce503aa8ffc61fcc6b751a717929 --- /dev/null +++ b/Mammals/Q3SWV2/Q3SWV2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7ec908610246b59cf9a7a47ce381b79980ea2e2cb909e2e2765a2ff1c8355f3a +size 14240276 diff --git a/Mammals/Q3SWV2/top.pdb b/Mammals/Q3SWV2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..916ee783085bd8f0994c0f6e2d150207c1510279 --- /dev/null +++ b/Mammals/Q3SWV2/top.pdb @@ -0,0 +1,116 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 213.638 251.828 244.381 1.00 0.00 C +ATOM 2 CA GLY A 2 212.647 249.882 241.259 1.00 0.00 C +ATOM 3 CA ASP A 3 213.425 249.274 237.579 1.00 0.00 C +ATOM 4 CA GLU A 4 213.478 250.556 233.992 1.00 0.00 C +ATOM 5 CA LYS A 5 216.217 252.669 232.395 1.00 0.00 C +ATOM 6 CA ASP A 6 219.259 251.101 230.721 1.00 0.00 C +ATOM 7 CA SER A 7 219.266 249.828 227.130 1.00 0.00 C +ATOM 8 CA TRP A 8 222.201 249.548 224.716 1.00 0.00 C +ATOM 9 CA LYS A 9 225.373 247.895 226.027 1.00 0.00 C +ATOM 10 CA VAL A 10 226.892 244.844 227.729 1.00 0.00 C +ATOM 11 CA LYS A 11 229.151 242.091 226.373 1.00 0.00 C +ATOM 12 CA THR A 12 227.966 238.591 227.300 1.00 0.00 C +ATOM 13 CA LEU A 13 226.061 237.654 230.464 1.00 0.00 C +ATOM 14 CA ASP A 14 224.987 234.603 232.477 1.00 0.00 C +ATOM 15 CA GLU A 15 222.066 234.646 234.923 1.00 0.00 C +ATOM 16 CA ILE A 16 219.337 232.117 235.739 1.00 0.00 C +ATOM 17 CA LEU A 17 216.878 233.066 238.490 1.00 0.00 C +ATOM 18 CA GLN A 18 217.404 236.681 239.574 1.00 0.00 C +ATOM 19 CA GLU A 19 214.321 238.178 241.237 1.00 0.00 C +ATOM 20 CA LYS A 20 212.572 235.361 243.114 1.00 0.00 C +ATOM 21 CA LYS A 21 210.465 232.195 242.892 1.00 0.00 C +ATOM 22 CA ARG A 22 211.543 229.758 245.615 1.00 0.00 C +ATOM 23 CA ARG A 23 214.926 230.719 247.082 1.00 0.00 C +ATOM 24 CA LYS A 24 215.460 233.840 249.201 1.00 0.00 C +ATOM 25 CA GLU A 25 218.584 235.728 248.111 1.00 0.00 C +ATOM 26 CA GLN A 26 220.341 235.735 244.730 1.00 0.00 C +ATOM 27 CA GLU A 27 221.489 239.313 244.100 1.00 0.00 C +ATOM 28 CA GLU A 28 220.047 242.155 246.188 1.00 0.00 C +ATOM 29 CA LYS A 29 221.817 245.510 246.551 1.00 0.00 C +ATOM 30 CA ALA A 30 219.946 248.717 245.698 1.00 0.00 C +ATOM 31 CA GLU A 31 219.705 250.343 242.261 1.00 0.00 C +ATOM 32 CA ILE A 32 220.976 253.149 240.019 1.00 0.00 C +ATOM 33 CA LYS A 33 220.592 256.854 240.819 1.00 0.00 C +ATOM 34 CA ARG A 34 223.477 257.803 243.120 1.00 0.00 C +ATOM 35 CA LEU A 35 225.957 260.028 244.967 1.00 0.00 C +ATOM 36 CA LYS A 36 228.824 260.552 242.513 1.00 0.00 C +ATOM 37 CA ASN A 37 229.633 264.275 242.552 1.00 0.00 C +ATOM 38 CA SER A 38 232.341 266.305 244.303 1.00 0.00 C +ATOM 39 CA ASP A 39 235.910 265.967 245.592 1.00 0.00 C +ATOM 40 CA ASP A 40 239.288 267.626 246.191 1.00 0.00 C +ATOM 41 CA ARG A 41 241.848 270.055 247.626 1.00 0.00 C +ATOM 42 CA ASP A 42 244.590 272.686 247.354 1.00 0.00 C +ATOM 43 CA SER A 43 247.891 270.789 247.203 1.00 0.00 C +ATOM 44 CA LYS A 44 251.157 269.371 245.848 1.00 0.00 C +ATOM 45 CA ARG A 45 254.689 268.445 246.937 1.00 0.00 C +ATOM 46 CA ASP A 46 256.199 267.789 250.373 1.00 0.00 C +ATOM 47 CA SER A 47 257.990 264.444 250.024 1.00 0.00 C +ATOM 48 CA LEU A 48 259.351 260.930 250.584 1.00 0.00 C +ATOM 49 CA GLU A 49 260.649 259.361 247.364 1.00 0.00 C +ATOM 50 CA GLU A 50 260.680 260.613 243.765 1.00 0.00 C +ATOM 51 CA GLY A 51 259.595 257.592 241.712 1.00 0.00 C +ATOM 52 CA GLU A 52 260.437 253.876 241.685 1.00 0.00 C +ATOM 53 CA LEU A 53 260.254 250.102 242.173 1.00 0.00 C +ATOM 54 CA ARG A 54 257.331 248.405 240.414 1.00 0.00 C +ATOM 55 CA ASP A 55 256.047 244.820 240.524 1.00 0.00 C +ATOM 56 CA HIS A 56 257.726 241.561 239.487 1.00 0.00 C +ATOM 57 CA ARG A 57 258.035 240.893 235.749 1.00 0.00 C +ATOM 58 CA MET A 58 257.781 244.263 233.990 1.00 0.00 C +ATOM 59 CA GLU A 59 256.507 247.781 233.270 1.00 0.00 C +ATOM 60 CA ILE A 60 257.644 251.382 232.761 1.00 0.00 C +ATOM 61 CA THR A 61 256.646 254.951 231.880 1.00 0.00 C +ATOM 62 CA ILE A 62 254.074 257.421 233.224 1.00 0.00 C +ATOM 63 CA ARG A 63 254.237 259.456 236.441 1.00 0.00 C +ATOM 64 CA ASN A 64 252.758 262.883 237.207 1.00 0.00 C +ATOM 65 CA SER A 65 252.272 264.586 240.581 1.00 0.00 C +ATOM 66 CA PRO A 66 250.619 261.947 242.775 1.00 0.00 C +ATOM 67 CA TYR A 67 253.364 260.762 245.136 1.00 0.00 C +ATOM 68 CA ARG A 68 253.968 257.095 244.299 1.00 0.00 C +ATOM 69 CA ARG A 69 253.960 254.045 246.583 1.00 0.00 C +ATOM 70 CA GLU A 70 251.334 254.403 249.321 1.00 0.00 C +ATOM 71 CA ASP A 71 251.080 255.331 253.007 1.00 0.00 C +ATOM 72 CA SER A 72 249.168 257.293 255.654 1.00 0.00 C +ATOM 73 CA MET A 73 248.016 260.451 257.448 1.00 0.00 C +ATOM 74 CA GLU A 74 250.090 263.488 258.443 1.00 0.00 C +ATOM 75 CA ASP A 75 253.404 265.105 259.401 1.00 0.00 C +ATOM 76 CA ARG A 76 254.552 267.072 262.455 1.00 0.00 C +ATOM 77 CA GLY A 77 257.099 264.820 264.173 1.00 0.00 C +ATOM 78 CA GLU A 78 256.794 264.058 267.893 1.00 0.00 C +ATOM 79 CA GLU A 79 257.654 261.114 270.153 1.00 0.00 C +ATOM 80 CA ASP A 80 259.546 262.477 273.166 1.00 0.00 C +ATOM 81 CA ASP A 81 261.799 265.360 274.228 1.00 0.00 C +ATOM 82 CA SER A 82 265.221 264.193 275.430 1.00 0.00 C +ATOM 83 CA LEU A 83 267.045 260.883 274.947 1.00 0.00 C +ATOM 84 CA ALA A 84 268.777 257.573 274.199 1.00 0.00 C +ATOM 85 CA ILE A 85 271.285 254.713 274.417 1.00 0.00 C +ATOM 86 CA LYS A 86 273.642 253.743 271.585 1.00 0.00 C +ATOM 87 CA PRO A 87 274.724 250.273 270.442 1.00 0.00 C +ATOM 88 CA PRO A 88 277.229 247.426 270.073 1.00 0.00 C +ATOM 89 CA GLN A 89 280.281 245.430 271.175 1.00 0.00 C +ATOM 90 CA GLN A 90 282.575 242.667 269.900 1.00 0.00 C +ATOM 91 CA MET A 91 282.396 238.904 269.333 1.00 0.00 C +ATOM 92 CA SER A 92 280.104 235.872 269.599 1.00 0.00 C +ATOM 93 CA ARG A 93 282.014 232.624 270.161 1.00 0.00 C +ATOM 94 CA LYS A 94 284.923 233.133 272.568 1.00 0.00 C +ATOM 95 CA GLU A 95 285.266 236.022 275.028 1.00 0.00 C +ATOM 96 CA LYS A 96 288.847 237.281 274.704 1.00 0.00 C +ATOM 97 CA ALA A 97 288.673 240.907 275.862 1.00 0.00 C +ATOM 98 CA HIS A 98 291.105 242.896 273.708 1.00 0.00 C +ATOM 99 CA HIS A 99 290.584 241.505 270.199 1.00 0.00 C +ATOM 100 CA ARG A 100 293.274 241.669 267.506 1.00 0.00 C +ATOM 101 CA LYS A 101 292.664 241.115 263.786 1.00 0.00 C +ATOM 102 CA ASP A 102 290.618 243.040 261.212 1.00 0.00 C +ATOM 103 CA GLU A 103 287.819 243.712 258.717 1.00 0.00 C +ATOM 104 CA LYS A 104 284.035 243.270 258.665 1.00 0.00 C +ATOM 105 CA LYS A 105 281.762 244.226 255.760 1.00 0.00 C +ATOM 106 CA LYS A 106 278.079 245.135 256.120 1.00 0.00 C +ATOM 107 CA LYS A 107 276.245 242.074 254.783 1.00 0.00 C +ATOM 108 CA LYS A 108 278.272 239.682 252.619 1.00 0.00 C +ATOM 109 CA LYS A 109 278.894 236.537 254.678 1.00 0.00 C +ATOM 110 CA LYS A 110 279.063 234.664 257.991 1.00 0.00 C +ATOM 111 CA LYS A 111 276.801 236.106 260.697 1.00 0.00 C +ATOM 112 CA LYS A 112 274.483 236.462 263.700 1.00 0.00 C +TER 113 LYS A 112 +END diff --git a/Mammals/Q3SXQ9/Q3SXQ9.dcd b/Mammals/Q3SXQ9/Q3SXQ9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..37537ae44df66f45ab0598a7fa49692e54269c8a --- /dev/null +++ b/Mammals/Q3SXQ9/Q3SXQ9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b20515cef98aac320042ca72faa6fb1e6fae38c202ba573255b82eb66bf2540c +size 17480276 diff --git a/Mammals/Q3SXQ9/top.pdb b/Mammals/Q3SXQ9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a7fff6069c17d317eeffbfa6c5c6f1ed3339afaa --- /dev/null +++ b/Mammals/Q3SXQ9/top.pdb @@ -0,0 +1,143 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 233.409 224.811 186.612 1.00 0.00 C +ATOM 2 CA SER A 2 230.183 226.381 187.893 1.00 0.00 C +ATOM 3 CA PRO A 3 226.420 226.829 187.493 1.00 0.00 C +ATOM 4 CA LYS A 4 224.742 228.867 190.240 1.00 0.00 C +ATOM 5 CA PRO A 5 225.969 228.933 193.846 1.00 0.00 C +ATOM 6 CA ARG A 6 224.981 232.045 195.809 1.00 0.00 C +ATOM 7 CA ALA A 7 223.332 235.142 197.295 1.00 0.00 C +ATOM 8 CA SER A 8 222.323 238.763 197.917 1.00 0.00 C +ATOM 9 CA GLY A 9 221.252 242.081 199.453 1.00 0.00 C +ATOM 10 CA PRO A 10 223.265 244.484 201.618 1.00 0.00 C +ATOM 11 CA PRO A 11 225.744 243.233 204.226 1.00 0.00 C +ATOM 12 CA ALA A 12 227.728 244.787 207.083 1.00 0.00 C +ATOM 13 CA LYS A 13 226.840 246.319 210.457 1.00 0.00 C +ATOM 14 CA ALA A 14 224.073 248.287 212.184 1.00 0.00 C +ATOM 15 CA THR A 15 221.342 249.959 210.119 1.00 0.00 C +ATOM 16 CA GLU A 16 219.685 252.814 212.020 1.00 0.00 C +ATOM 17 CA ALA A 17 218.146 256.230 212.713 1.00 0.00 C +ATOM 18 CA GLY A 18 220.715 258.004 214.896 1.00 0.00 C +ATOM 19 CA LYS A 19 220.457 257.342 218.639 1.00 0.00 C +ATOM 20 CA ARG A 20 217.828 254.728 219.517 1.00 0.00 C +ATOM 21 CA LYS A 21 214.663 253.681 217.672 1.00 0.00 C +ATOM 22 CA SER A 22 212.208 256.377 216.569 1.00 0.00 C +ATOM 23 CA SER A 23 211.704 258.193 213.257 1.00 0.00 C +ATOM 24 CA SER A 24 212.349 256.244 210.047 1.00 0.00 C +ATOM 25 CA GLN A 25 210.503 253.130 208.861 1.00 0.00 C +ATOM 26 CA PRO A 26 209.504 250.254 211.152 1.00 0.00 C +ATOM 27 CA SER A 27 206.793 248.207 212.877 1.00 0.00 C +ATOM 28 CA PRO A 28 203.029 247.792 212.453 1.00 0.00 C +ATOM 29 CA SER A 29 201.897 246.109 215.678 1.00 0.00 C +ATOM 30 CA ASP A 30 204.121 245.709 218.746 1.00 0.00 C +ATOM 31 CA PRO A 31 207.691 244.392 218.553 1.00 0.00 C +ATOM 32 CA LYS A 32 210.016 247.409 218.450 1.00 0.00 C +ATOM 33 CA LYS A 33 213.361 246.614 220.092 1.00 0.00 C +ATOM 34 CA LYS A 34 216.730 244.884 219.675 1.00 0.00 C +ATOM 35 CA THR A 35 220.362 244.166 220.572 1.00 0.00 C +ATOM 36 CA THR A 36 221.474 240.996 222.369 1.00 0.00 C +ATOM 37 CA LYS A 37 223.893 240.974 225.313 1.00 0.00 C +ATOM 38 CA VAL A 38 227.681 241.381 225.365 1.00 0.00 C +ATOM 39 CA ALA A 39 231.042 240.927 227.101 1.00 0.00 C +ATOM 40 CA LYS A 40 234.539 242.093 226.138 1.00 0.00 C +ATOM 41 CA LYS A 41 235.193 242.591 222.417 1.00 0.00 C +ATOM 42 CA GLY A 42 238.438 243.940 220.946 1.00 0.00 C +ATOM 43 CA LYS A 43 240.745 245.792 218.546 1.00 0.00 C +ATOM 44 CA ALA A 44 240.889 249.599 218.489 1.00 0.00 C +ATOM 45 CA VAL A 45 242.420 250.697 221.800 1.00 0.00 C +ATOM 46 CA ARG A 46 244.424 249.771 224.905 1.00 0.00 C +ATOM 47 CA ARG A 47 247.108 252.288 225.894 1.00 0.00 C +ATOM 48 CA GLY A 48 247.626 256.060 225.741 1.00 0.00 C +ATOM 49 CA ARG A 49 247.422 259.803 225.061 1.00 0.00 C +ATOM 50 CA ARG A 50 246.878 263.344 223.765 1.00 0.00 C +ATOM 51 CA GLY A 51 244.197 265.969 223.103 1.00 0.00 C +ATOM 52 CA LYS A 52 240.750 266.960 221.817 1.00 0.00 C +ATOM 53 CA LYS A 53 239.042 270.361 221.632 1.00 0.00 C +ATOM 54 CA GLY A 54 239.709 272.344 224.816 1.00 0.00 C +ATOM 55 CA ALA A 55 239.674 276.117 224.282 1.00 0.00 C +ATOM 56 CA ALA A 56 236.936 278.703 223.704 1.00 0.00 C +ATOM 57 CA THR A 57 236.448 281.292 226.456 1.00 0.00 C +ATOM 58 CA LYS A 58 238.421 280.216 229.533 1.00 0.00 C +ATOM 59 CA MET A 59 240.336 278.557 232.379 1.00 0.00 C +ATOM 60 CA ALA A 60 239.475 277.223 235.842 1.00 0.00 C +ATOM 61 CA ALA A 61 242.006 274.727 237.214 1.00 0.00 C +ATOM 62 CA VAL A 62 245.402 274.873 235.493 1.00 0.00 C +ATOM 63 CA THR A 63 249.174 274.340 235.527 1.00 0.00 C +ATOM 64 CA ALA A 64 251.087 274.441 232.233 1.00 0.00 C +ATOM 65 CA PRO A 65 254.519 272.998 233.039 1.00 0.00 C +ATOM 66 CA GLU A 66 255.770 272.368 236.583 1.00 0.00 C +ATOM 67 CA ALA A 67 256.755 271.989 240.243 1.00 0.00 C +ATOM 68 CA GLU A 68 255.714 268.806 242.060 1.00 0.00 C +ATOM 69 CA SER A 69 255.663 266.090 244.732 1.00 0.00 C +ATOM 70 CA ALA A 70 254.799 262.850 246.540 1.00 0.00 C +ATOM 71 CA PRO A 71 251.139 261.830 246.267 1.00 0.00 C +ATOM 72 CA ALA A 72 249.788 258.279 246.549 1.00 0.00 C +ATOM 73 CA ALA A 73 250.637 254.582 246.196 1.00 0.00 C +ATOM 74 CA PRO A 74 253.370 253.510 248.625 1.00 0.00 C +ATOM 75 CA GLY A 75 256.977 254.121 249.688 1.00 0.00 C +ATOM 76 CA PRO A 76 259.100 254.746 252.790 1.00 0.00 C +ATOM 77 CA SER A 77 259.333 255.463 256.525 1.00 0.00 C +ATOM 78 CA ASP A 78 258.741 252.205 258.409 1.00 0.00 C +ATOM 79 CA GLN A 79 255.407 252.755 260.170 1.00 0.00 C +ATOM 80 CA PRO A 80 254.964 255.846 262.354 1.00 0.00 C +ATOM 81 CA SER A 81 257.744 257.403 264.442 1.00 0.00 C +ATOM 82 CA GLN A 82 256.975 259.624 267.441 1.00 0.00 C +ATOM 83 CA GLU A 83 253.640 260.399 269.111 1.00 0.00 C +ATOM 84 CA LEU A 84 250.015 259.240 269.292 1.00 0.00 C +ATOM 85 CA PRO A 85 249.952 255.990 267.304 1.00 0.00 C +ATOM 86 CA GLN A 86 250.203 252.601 265.582 1.00 0.00 C +ATOM 87 CA HIS A 87 253.417 250.804 266.562 1.00 0.00 C +ATOM 88 CA GLU A 88 255.010 248.295 268.945 1.00 0.00 C +ATOM 89 CA LEU A 89 255.669 249.252 272.573 1.00 0.00 C +ATOM 90 CA PRO A 90 258.258 251.716 273.894 1.00 0.00 C +ATOM 91 CA PRO A 91 258.802 253.010 277.436 1.00 0.00 C +ATOM 92 CA GLU A 92 256.720 254.467 280.274 1.00 0.00 C +ATOM 93 CA GLU A 93 255.046 256.969 282.609 1.00 0.00 C +ATOM 94 CA PRO A 94 257.548 257.437 285.444 1.00 0.00 C +ATOM 95 CA VAL A 95 257.619 256.170 289.036 1.00 0.00 C +ATOM 96 CA SER A 96 254.442 254.599 290.434 1.00 0.00 C +ATOM 97 CA GLU A 97 253.037 251.179 289.515 1.00 0.00 C +ATOM 98 CA GLY A 98 249.248 251.493 289.761 1.00 0.00 C +ATOM 99 CA THR A 99 247.321 250.585 286.602 1.00 0.00 C +ATOM 100 CA GLN A 100 246.625 246.840 286.663 1.00 0.00 C +ATOM 101 CA HIS A 101 246.631 243.109 287.437 1.00 0.00 C +ATOM 102 CA ASP A 102 249.702 240.879 287.771 1.00 0.00 C +ATOM 103 CA PRO A 103 252.253 239.871 285.126 1.00 0.00 C +ATOM 104 CA LEU A 104 256.026 240.195 285.540 1.00 0.00 C +ATOM 105 CA SER A 105 258.175 237.051 285.426 1.00 0.00 C +ATOM 106 CA GLN A 106 261.976 236.971 285.678 1.00 0.00 C +ATOM 107 CA GLU A 107 263.507 233.907 287.345 1.00 0.00 C +ATOM 108 CA ALA A 108 267.187 233.327 288.145 1.00 0.00 C +ATOM 109 CA GLU A 109 269.132 233.012 291.406 1.00 0.00 C +ATOM 110 CA LEU A 110 269.217 235.793 294.009 1.00 0.00 C +ATOM 111 CA GLU A 111 271.416 238.681 292.852 1.00 0.00 C +ATOM 112 CA GLU A 112 274.879 238.126 294.340 1.00 0.00 C +ATOM 113 CA PRO A 113 277.499 240.880 294.596 1.00 0.00 C +ATOM 114 CA LEU A 114 279.345 242.209 291.540 1.00 0.00 C +ATOM 115 CA SER A 115 280.103 245.318 289.472 1.00 0.00 C +ATOM 116 CA GLN A 116 282.158 244.187 286.469 1.00 0.00 C +ATOM 117 CA GLU A 117 285.792 243.080 286.175 1.00 0.00 C +ATOM 118 CA SER A 118 287.934 240.556 284.289 1.00 0.00 C +ATOM 119 CA GLU A 119 291.130 241.595 282.495 1.00 0.00 C +ATOM 120 CA VAL A 120 290.374 241.594 278.761 1.00 0.00 C +ATOM 121 CA GLU A 121 293.405 240.265 276.874 1.00 0.00 C +ATOM 122 CA GLU A 122 295.592 237.178 277.322 1.00 0.00 C +ATOM 123 CA PRO A 123 296.756 235.612 280.594 1.00 0.00 C +ATOM 124 CA LEU A 124 294.498 236.225 283.602 1.00 0.00 C +ATOM 125 CA THR A 125 293.418 236.785 287.212 1.00 0.00 C +ATOM 126 CA VAL A 126 290.502 235.694 289.408 1.00 0.00 C +ATOM 127 CA TRP A 127 288.122 232.845 290.266 1.00 0.00 C +ATOM 128 CA MET A 128 285.876 233.480 293.278 1.00 0.00 C +ATOM 129 CA ALA A 129 285.552 236.199 295.927 1.00 0.00 C +ATOM 130 CA SER A 130 287.810 236.801 298.936 1.00 0.00 C +ATOM 131 CA PHE A 131 290.738 237.674 301.213 1.00 0.00 C +ATOM 132 CA SER A 132 291.029 241.089 302.876 1.00 0.00 C +ATOM 133 CA PRO A 133 291.810 242.215 306.431 1.00 0.00 C +ATOM 134 CA VAL A 134 294.796 244.298 307.557 1.00 0.00 C +ATOM 135 CA SER A 135 296.494 245.424 304.338 1.00 0.00 C +ATOM 136 CA GLU A 136 300.303 245.516 304.283 1.00 0.00 C +ATOM 137 CA SER A 137 303.705 246.758 305.467 1.00 0.00 C +ATOM 138 CA SER A 138 303.402 249.225 308.354 1.00 0.00 C +ATOM 139 CA ASP A 139 305.996 250.285 310.935 1.00 0.00 C +TER 140 ASP A 139 +END diff --git a/Mammals/Q3T8L0/Q3T8L0.dcd b/Mammals/Q3T8L0/Q3T8L0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..9ad2e9df623834fe2ca1ce56b68a4f9e22deacd3 --- /dev/null +++ b/Mammals/Q3T8L0/Q3T8L0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f59df430c349da33ed1513d453832a5feb2076cd0d941e67c77f018c40e6edd4 +size 6440276 diff --git a/Mammals/Q3T8L0/top.pdb b/Mammals/Q3T8L0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3a55bfda695b1c6974dcdf7efb1a91761e921589 --- /dev/null +++ b/Mammals/Q3T8L0/top.pdb @@ -0,0 +1,51 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA PRO A 1 264.900 238.013 242.266 1.00 0.00 C +ATOM 2 CA GLN A 2 266.405 239.459 239.079 1.00 0.00 C +ATOM 3 CA PRO A 3 264.402 240.787 236.123 1.00 0.00 C +ATOM 4 CA VAL A 4 262.825 241.058 232.665 1.00 0.00 C +ATOM 5 CA GLN A 5 259.363 242.303 231.675 1.00 0.00 C +ATOM 6 CA PRO A 6 256.101 243.191 233.431 1.00 0.00 C +ATOM 7 CA GLN A 7 252.592 243.909 234.730 1.00 0.00 C +ATOM 8 CA ALA A 8 249.223 243.721 236.500 1.00 0.00 C +ATOM 9 CA HIS A 9 247.829 245.548 239.539 1.00 0.00 C +ATOM 10 CA GLN A 10 244.071 244.937 239.399 1.00 0.00 C +ATOM 11 CA PRO A 11 241.610 247.009 241.441 1.00 0.00 C +ATOM 12 CA ILE A 12 242.554 247.199 245.127 1.00 0.00 C +ATOM 13 CA GLN A 13 244.880 248.923 247.604 1.00 0.00 C +ATOM 14 CA PRO A 14 248.624 248.419 248.101 1.00 0.00 C +ATOM 15 CA GLN A 15 250.636 251.043 246.209 1.00 0.00 C +ATOM 16 CA PRO A 16 254.088 250.240 244.812 1.00 0.00 C +ATOM 17 CA PRO A 17 256.363 249.521 241.841 1.00 0.00 C +ATOM 18 CA VAL A 18 259.007 249.963 239.134 1.00 0.00 C +ATOM 19 CA HIS A 19 259.385 247.550 236.210 1.00 0.00 C +ATOM 20 CA HIS A 20 262.018 248.668 233.693 1.00 0.00 C +ATOM 21 CA ILE A 21 265.440 248.152 235.287 1.00 0.00 C +ATOM 22 CA GLN A 22 268.615 250.122 234.542 1.00 0.00 C +ATOM 23 CA PRO A 23 269.215 253.473 236.254 1.00 0.00 C +ATOM 24 CA LEU A 24 269.979 254.197 239.915 1.00 0.00 C +ATOM 25 CA PRO A 25 269.392 256.368 242.990 1.00 0.00 C +ATOM 26 CA PRO A 26 267.483 257.774 245.973 1.00 0.00 C +ATOM 27 CA GLN A 27 264.778 255.656 247.620 1.00 0.00 C +ATOM 28 CA PRO A 28 261.117 254.676 248.007 1.00 0.00 C +ATOM 29 CA PRO A 29 258.751 253.095 250.541 1.00 0.00 C +ATOM 30 CA LEU A 30 255.088 252.088 250.834 1.00 0.00 C +ATOM 31 CA PRO A 31 252.012 252.279 253.074 1.00 0.00 C +ATOM 32 CA PRO A 32 251.660 252.207 256.867 1.00 0.00 C +ATOM 33 CA MET A 33 248.465 254.013 257.892 1.00 0.00 C +ATOM 34 CA PHE A 34 244.841 253.988 259.068 1.00 0.00 C +ATOM 35 CA PRO A 35 242.944 250.735 259.642 1.00 0.00 C +ATOM 36 CA ILE A 36 240.090 251.285 262.106 1.00 0.00 C +ATOM 37 CA GLN A 37 241.051 252.099 265.702 1.00 0.00 C +ATOM 38 CA PRO A 38 239.299 254.873 267.640 1.00 0.00 C +ATOM 39 CA LEU A 39 236.780 254.731 270.495 1.00 0.00 C +ATOM 40 CA PRO A 40 236.502 253.149 273.950 1.00 0.00 C +ATOM 41 CA PRO A 41 234.168 254.595 276.592 1.00 0.00 C +ATOM 42 CA MET A 42 231.495 256.487 274.645 1.00 0.00 C +ATOM 43 CA LEU A 43 228.210 254.896 273.552 1.00 0.00 C +ATOM 44 CA PRO A 44 226.557 251.993 271.720 1.00 0.00 C +ATOM 45 CA ASP A 45 223.279 251.898 269.780 1.00 0.00 C +ATOM 46 CA LEU A 46 219.755 252.225 268.368 1.00 0.00 C +ATOM 47 CA PRO A 47 216.156 251.484 267.364 1.00 0.00 C +TER 48 PRO A 47 +END diff --git a/Mammals/Q3T8M2/Q3T8M2.dcd b/Mammals/Q3T8M2/Q3T8M2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..bf3ce64bdb3864b9ce91bc2bd631a19c1d48ed9a --- /dev/null +++ b/Mammals/Q3T8M2/Q3T8M2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:18fc2b42245c212f2c4e4b0b18e3d1af0b61f1e3bcdbcf891d3901eb9dc3d054 +size 8960276 diff --git a/Mammals/Q3T8M2/top.pdb b/Mammals/Q3T8M2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f193625450a2015c557af0cea995c75045d8fec5 --- /dev/null +++ b/Mammals/Q3T8M2/top.pdb @@ -0,0 +1,72 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA PRO A 1 254.896 240.826 245.652 1.00 0.00 C +ATOM 2 CA GLN A 2 256.628 239.123 242.717 1.00 0.00 C +ATOM 3 CA PRO A 3 257.543 241.525 239.904 1.00 0.00 C +ATOM 4 CA VAL A 4 259.556 244.722 240.400 1.00 0.00 C +ATOM 5 CA GLN A 5 259.784 248.248 241.826 1.00 0.00 C +ATOM 6 CA PRO A 6 257.074 250.849 241.194 1.00 0.00 C +ATOM 7 CA GLN A 7 255.607 254.361 241.373 1.00 0.00 C +ATOM 8 CA PRO A 8 255.596 258.141 240.897 1.00 0.00 C +ATOM 9 CA HIS A 9 258.079 261.027 241.046 1.00 0.00 C +ATOM 10 CA GLN A 10 261.766 261.971 240.862 1.00 0.00 C +ATOM 11 CA PRO A 11 265.435 261.035 241.277 1.00 0.00 C +ATOM 12 CA ILE A 12 266.840 260.880 237.739 1.00 0.00 C +ATOM 13 CA GLN A 13 265.183 258.378 235.392 1.00 0.00 C +ATOM 14 CA PRO A 14 265.274 257.823 231.624 1.00 0.00 C +ATOM 15 CA ILE A 15 268.358 257.945 229.390 1.00 0.00 C +ATOM 16 CA GLN A 16 268.279 260.883 226.965 1.00 0.00 C +ATOM 17 CA PRO A 17 269.822 264.260 226.110 1.00 0.00 C +ATOM 18 CA ILE A 18 273.623 264.045 226.258 1.00 0.00 C +ATOM 19 CA GLN A 19 276.931 262.923 227.780 1.00 0.00 C +ATOM 20 CA PRO A 20 277.004 259.530 229.510 1.00 0.00 C +ATOM 21 CA ILE A 21 275.535 256.790 231.712 1.00 0.00 C +ATOM 22 CA GLN A 22 277.187 256.337 235.116 1.00 0.00 C +ATOM 23 CA PRO A 23 275.200 254.818 237.990 1.00 0.00 C +ATOM 24 CA GLN A 24 276.565 256.152 241.287 1.00 0.00 C +ATOM 25 CA PRO A 25 275.288 256.077 244.876 1.00 0.00 C +ATOM 26 CA PRO A 26 276.402 257.242 248.328 1.00 0.00 C +ATOM 27 CA MET A 27 275.066 260.765 248.894 1.00 0.00 C +ATOM 28 CA HIS A 28 271.413 261.842 249.025 1.00 0.00 C +ATOM 29 CA PRO A 29 269.805 262.816 252.338 1.00 0.00 C +ATOM 30 CA ILE A 30 266.114 263.740 252.524 1.00 0.00 C +ATOM 31 CA GLN A 31 263.167 263.248 250.159 1.00 0.00 C +ATOM 32 CA PRO A 32 262.173 259.584 249.838 1.00 0.00 C +ATOM 33 CA LEU A 33 263.007 255.958 250.659 1.00 0.00 C +ATOM 34 CA PRO A 34 261.453 253.463 253.082 1.00 0.00 C +ATOM 35 CA PRO A 35 258.619 251.895 255.089 1.00 0.00 C +ATOM 36 CA GLN A 36 254.811 251.899 254.973 1.00 0.00 C +ATOM 37 CA PRO A 37 253.075 251.308 258.312 1.00 0.00 C +ATOM 38 CA PRO A 38 250.711 248.360 257.823 1.00 0.00 C +ATOM 39 CA LEU A 39 250.262 246.523 254.516 1.00 0.00 C +ATOM 40 CA PRO A 40 247.965 244.804 252.008 1.00 0.00 C +ATOM 41 CA PRO A 41 244.174 244.966 252.348 1.00 0.00 C +ATOM 42 CA MET A 42 241.863 247.316 254.260 1.00 0.00 C +ATOM 43 CA PHE A 43 238.261 246.074 254.293 1.00 0.00 C +ATOM 44 CA PRO A 44 235.375 244.564 252.317 1.00 0.00 C +ATOM 45 CA ILE A 45 233.991 242.716 249.287 1.00 0.00 C +ATOM 46 CA GLN A 46 230.598 241.224 248.403 1.00 0.00 C +ATOM 47 CA PRO A 47 228.158 239.340 246.163 1.00 0.00 C +ATOM 48 CA LEU A 48 225.335 237.434 244.456 1.00 0.00 C +ATOM 49 CA PRO A 49 221.704 236.282 244.485 1.00 0.00 C +ATOM 50 CA PRO A 50 221.320 233.586 247.150 1.00 0.00 C +ATOM 51 CA MET A 51 223.696 234.380 250.020 1.00 0.00 C +ATOM 52 CA LEU A 52 222.281 237.211 252.142 1.00 0.00 C +ATOM 53 CA PRO A 53 224.092 238.825 255.080 1.00 0.00 C +ATOM 54 CA ASP A 54 224.248 240.735 258.373 1.00 0.00 C +ATOM 55 CA LEU A 55 224.481 241.934 261.982 1.00 0.00 C +ATOM 56 CA PRO A 56 227.815 243.361 263.151 1.00 0.00 C +ATOM 57 CA LEU A 57 228.920 246.984 262.745 1.00 0.00 C +ATOM 58 CA GLU A 58 230.083 249.830 264.995 1.00 0.00 C +ATOM 59 CA ALA A 59 230.475 250.977 268.607 1.00 0.00 C +ATOM 60 CA TRP A 60 232.714 250.491 271.652 1.00 0.00 C +ATOM 61 CA PRO A 61 232.516 247.002 273.172 1.00 0.00 C +ATOM 62 CA ALA A 62 232.068 243.542 271.641 1.00 0.00 C +ATOM 63 CA THR A 63 228.997 243.028 269.447 1.00 0.00 C +ATOM 64 CA ASP A 64 226.788 240.357 271.029 1.00 0.00 C +ATOM 65 CA LYS A 65 227.277 236.861 272.463 1.00 0.00 C +ATOM 66 CA THR A 66 228.511 237.004 276.066 1.00 0.00 C +ATOM 67 CA LYS A 67 229.109 240.622 277.099 1.00 0.00 C +ATOM 68 CA ARG A 68 228.051 241.234 280.708 1.00 0.00 C +TER 69 ARG A 68 +END diff --git a/Mammals/Q3T907/Q3T907.dcd b/Mammals/Q3T907/Q3T907.dcd new file mode 100644 index 0000000000000000000000000000000000000000..0ea3cb284831638df56c581e4b31159fbc2f1998 --- /dev/null +++ b/Mammals/Q3T907/Q3T907.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:edd77c5cac6d70fbb6e7c1e70dbc34b924ad84b4e2f90dc7f6046bd7281ed395 +size 8840276 diff --git a/Mammals/Q3T907/top.pdb b/Mammals/Q3T907/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2bb228c21e0b176dcd52dd8f47bd6c22da070d67 --- /dev/null +++ b/Mammals/Q3T907/top.pdb @@ -0,0 +1,71 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA PRO A 1 237.866 258.501 223.448 1.00 0.00 C +ATOM 2 CA PRO A 2 240.244 261.324 222.502 1.00 0.00 C +ATOM 3 CA VAL A 3 240.113 264.123 225.084 1.00 0.00 C +ATOM 4 CA SER A 4 243.173 264.224 227.351 1.00 0.00 C +ATOM 5 CA ASP A 5 243.928 261.642 230.048 1.00 0.00 C +ATOM 6 CA THR A 6 241.042 261.968 232.514 1.00 0.00 C +ATOM 7 CA PRO A 7 238.642 264.490 234.062 1.00 0.00 C +ATOM 8 CA ASP A 8 237.397 267.704 232.438 1.00 0.00 C +ATOM 9 CA GLU A 9 236.677 270.878 230.459 1.00 0.00 C +ATOM 10 CA GLY A 10 236.068 274.406 229.154 1.00 0.00 C +ATOM 11 CA ASP A 11 233.709 277.094 230.465 1.00 0.00 C +ATOM 12 CA GLU A 12 231.400 280.120 230.303 1.00 0.00 C +ATOM 13 CA PRO A 13 228.829 282.738 231.328 1.00 0.00 C +ATOM 14 CA MET A 14 226.419 282.665 234.279 1.00 0.00 C +ATOM 15 CA PRO A 15 227.386 283.336 237.902 1.00 0.00 C +ATOM 16 CA ILE A 16 230.350 281.066 238.666 1.00 0.00 C +ATOM 17 CA PRO A 17 233.629 281.903 240.414 1.00 0.00 C +ATOM 18 CA GLU A 18 236.417 280.383 242.520 1.00 0.00 C +ATOM 19 CA ASP A 19 238.151 279.305 245.737 1.00 0.00 C +ATOM 20 CA LEU A 20 238.687 275.534 245.694 1.00 0.00 C +ATOM 21 CA SER A 21 242.188 275.073 244.261 1.00 0.00 C +ATOM 22 CA THR A 22 245.241 272.794 244.291 1.00 0.00 C +ATOM 23 CA THR A 23 247.222 269.550 244.543 1.00 0.00 C +ATOM 24 CA SER A 24 247.562 265.783 244.084 1.00 0.00 C +ATOM 25 CA GLY A 25 249.989 262.938 244.814 1.00 0.00 C +ATOM 26 CA GLY A 26 251.398 259.717 243.347 1.00 0.00 C +ATOM 27 CA GLN A 27 253.241 256.442 243.979 1.00 0.00 C +ATOM 28 CA GLN A 28 254.392 252.813 243.835 1.00 0.00 C +ATOM 29 CA SER A 29 256.663 251.103 246.371 1.00 0.00 C +ATOM 30 CA SER A 30 259.615 250.517 248.708 1.00 0.00 C +ATOM 31 CA LYS A 31 261.865 247.614 249.723 1.00 0.00 C +ATOM 32 CA SER A 32 262.042 246.737 253.426 1.00 0.00 C +ATOM 33 CA ASP A 33 261.040 246.211 257.064 1.00 0.00 C +ATOM 34 CA ARG A 34 261.844 245.074 260.611 1.00 0.00 C +ATOM 35 CA VAL A 35 260.938 241.392 260.992 1.00 0.00 C +ATOM 36 CA VAL A 36 260.981 237.794 259.740 1.00 0.00 C +ATOM 37 CA GLY A 37 264.464 236.778 258.579 1.00 0.00 C +ATOM 38 CA ASP A 38 265.447 239.012 255.653 1.00 0.00 C +ATOM 39 CA LYS A 39 268.482 238.789 253.361 1.00 0.00 C +ATOM 40 CA GLY A 40 271.874 239.791 251.945 1.00 0.00 C +ATOM 41 CA LEU A 41 274.635 237.300 252.776 1.00 0.00 C +ATOM 42 CA SER A 42 278.289 236.266 252.467 1.00 0.00 C +ATOM 43 CA ASP A 43 279.936 237.389 255.715 1.00 0.00 C +ATOM 44 CA THR A 44 278.180 239.854 258.028 1.00 0.00 C +ATOM 45 CA PRO A 45 274.639 241.023 258.810 1.00 0.00 C +ATOM 46 CA TYR A 46 272.442 239.047 261.216 1.00 0.00 C +ATOM 47 CA ASP A 47 269.975 237.281 263.520 1.00 0.00 C +ATOM 48 CA SER A 48 266.900 238.018 265.646 1.00 0.00 C +ATOM 49 CA SER A 49 263.455 238.783 267.082 1.00 0.00 C +ATOM 50 CA ALA A 50 260.473 238.689 269.451 1.00 0.00 C +ATOM 51 CA SER A 51 257.472 237.955 267.221 1.00 0.00 C +ATOM 52 CA TYR A 52 253.673 237.713 267.361 1.00 0.00 C +ATOM 53 CA GLU A 53 250.936 239.650 265.551 1.00 0.00 C +ATOM 54 CA LYS A 54 249.355 238.404 262.316 1.00 0.00 C +ATOM 55 CA GLU A 55 248.195 234.776 262.235 1.00 0.00 C +ATOM 56 CA ASN A 56 247.709 231.406 263.944 1.00 0.00 C +ATOM 57 CA GLU A 57 246.532 227.866 264.720 1.00 0.00 C +ATOM 58 CA MET A 58 245.452 224.223 264.447 1.00 0.00 C +ATOM 59 CA MET A 59 243.395 222.129 266.876 1.00 0.00 C +ATOM 60 CA LYS A 60 241.744 218.746 266.289 1.00 0.00 C +ATOM 61 CA SER A 61 238.021 219.202 265.620 1.00 0.00 C +ATOM 62 CA HIS A 62 236.554 218.234 262.239 1.00 0.00 C +ATOM 63 CA VAL A 63 238.124 220.423 259.545 1.00 0.00 C +ATOM 64 CA MET A 64 240.211 223.569 260.055 1.00 0.00 C +ATOM 65 CA ASP A 65 243.561 224.757 258.681 1.00 0.00 C +ATOM 66 CA GLN A 66 243.343 228.037 256.754 1.00 0.00 C +ATOM 67 CA ALA A 67 240.186 229.930 257.737 1.00 0.00 C +TER 68 ALA A 67 +END diff --git a/Mammals/Q3T983/Q3T983.dcd b/Mammals/Q3T983/Q3T983.dcd new file mode 100644 index 0000000000000000000000000000000000000000..66e8cd70fc9f22784fc6713011b1942107ca1848 --- /dev/null +++ b/Mammals/Q3T983/Q3T983.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:11449796b3c71c2ef790ebc501fef424bc5ed58b96f44d424c0c598f4933e15e +size 17000276 diff --git a/Mammals/Q3T983/top.pdb b/Mammals/Q3T983/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b0f56264385b5226d1d87f62d3405687faeb7614 --- /dev/null +++ b/Mammals/Q3T983/top.pdb @@ -0,0 +1,139 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 292.613 232.117 240.062 1.00 0.00 C +ATOM 2 CA SER A 2 289.592 233.158 237.986 1.00 0.00 C +ATOM 3 CA THR A 3 286.179 232.216 236.579 1.00 0.00 C +ATOM 4 CA HIS A 4 285.555 228.462 236.776 1.00 0.00 C +ATOM 5 CA VAL A 5 282.016 227.955 238.091 1.00 0.00 C +ATOM 6 CA TRP A 6 280.172 225.323 240.138 1.00 0.00 C +ATOM 7 CA ALA A 7 277.221 223.236 241.342 1.00 0.00 C +ATOM 8 CA LEU A 8 273.545 222.392 241.884 1.00 0.00 C +ATOM 9 CA GLU A 9 270.466 220.233 242.491 1.00 0.00 C +ATOM 10 CA ALA A 10 271.658 217.259 244.554 1.00 0.00 C +ATOM 11 CA GLY A 11 275.463 217.341 244.734 1.00 0.00 C +ATOM 12 CA GLY A 12 278.442 215.878 242.864 1.00 0.00 C +ATOM 13 CA SER A 13 279.647 212.332 242.163 1.00 0.00 C +ATOM 14 CA LEU A 14 277.386 209.573 240.825 1.00 0.00 C +ATOM 15 CA SER A 15 278.961 206.478 239.258 1.00 0.00 C +ATOM 16 CA SER A 16 276.326 203.727 239.352 1.00 0.00 C +ATOM 17 CA ARG A 17 276.505 200.012 238.527 1.00 0.00 C +ATOM 18 CA THR A 18 273.171 198.454 239.514 1.00 0.00 C +ATOM 19 CA ALA A 19 270.139 199.640 237.535 1.00 0.00 C +ATOM 20 CA SER A 20 270.358 200.473 233.823 1.00 0.00 C +ATOM 21 CA THR A 21 268.393 201.014 230.604 1.00 0.00 C +ATOM 22 CA VAL A 22 267.701 204.282 228.772 1.00 0.00 C +ATOM 23 CA GLN A 23 267.977 207.884 227.562 1.00 0.00 C +ATOM 24 CA THR A 24 266.468 210.359 230.035 1.00 0.00 C +ATOM 25 CA LEU A 25 267.620 211.273 233.550 1.00 0.00 C +ATOM 26 CA SER A 26 265.360 211.296 236.618 1.00 0.00 C +ATOM 27 CA GLN A 27 262.305 213.573 236.651 1.00 0.00 C +ATOM 28 CA LYS A 28 260.169 213.010 233.547 1.00 0.00 C +ATOM 29 CA ASN A 29 256.605 212.162 232.502 1.00 0.00 C +ATOM 30 CA PRO A 30 253.485 214.248 231.844 1.00 0.00 C +ATOM 31 CA LYS A 31 252.954 217.692 230.303 1.00 0.00 C +ATOM 32 CA ASP A 32 254.254 221.266 230.527 1.00 0.00 C +ATOM 33 CA LYS A 33 252.471 222.758 233.546 1.00 0.00 C +ATOM 34 CA THR A 34 249.976 225.415 232.437 1.00 0.00 C +ATOM 35 CA ASN A 35 248.583 228.326 234.462 1.00 0.00 C +ATOM 36 CA LYS A 36 249.133 229.706 237.971 1.00 0.00 C +ATOM 37 CA GLN A 37 246.401 229.283 240.593 1.00 0.00 C +ATOM 38 CA THR A 38 245.218 232.760 241.606 1.00 0.00 C +ATOM 39 CA ASN A 39 243.642 235.571 243.638 1.00 0.00 C +ATOM 40 CA LYS A 40 241.904 235.555 247.029 1.00 0.00 C +ATOM 41 CA GLN A 41 243.963 236.291 250.149 1.00 0.00 C +ATOM 42 CA ASN A 42 243.633 237.612 253.707 1.00 0.00 C +ATOM 43 CA PRO A 43 244.781 236.028 256.976 1.00 0.00 C +ATOM 44 CA THR A 44 244.853 234.695 260.545 1.00 0.00 C +ATOM 45 CA ILE A 45 246.026 235.695 264.029 1.00 0.00 C +ATOM 46 CA LEU A 46 246.776 238.333 266.673 1.00 0.00 C +ATOM 47 CA GLU A 47 246.424 239.341 270.331 1.00 0.00 C +ATOM 48 CA GLU A 48 247.683 242.464 272.114 1.00 0.00 C +ATOM 49 CA THR A 49 250.022 244.770 274.045 1.00 0.00 C +ATOM 50 CA GLY A 50 251.485 247.030 276.741 1.00 0.00 C +ATOM 51 CA SER A 51 254.445 247.791 279.016 1.00 0.00 C +ATOM 52 CA LYS A 52 257.062 250.044 277.407 1.00 0.00 C +ATOM 53 CA GLY A 53 260.734 249.375 276.642 1.00 0.00 C +ATOM 54 CA LYS A 54 261.531 248.126 273.132 1.00 0.00 C +ATOM 55 CA THR A 55 260.926 246.431 269.774 1.00 0.00 C +ATOM 56 CA THR A 56 257.844 244.358 268.924 1.00 0.00 C +ATOM 57 CA THR A 57 254.274 243.080 268.557 1.00 0.00 C +ATOM 58 CA THR A 58 252.436 244.563 265.567 1.00 0.00 C +ATOM 59 CA MET A 59 250.783 245.421 262.243 1.00 0.00 C +ATOM 60 CA THR A 60 249.499 249.007 262.195 1.00 0.00 C +ATOM 61 CA THR A 61 249.721 250.974 265.450 1.00 0.00 C +ATOM 62 CA LYS A 62 246.988 253.627 265.335 1.00 0.00 C +ATOM 63 CA GLN A 63 244.811 253.404 262.217 1.00 0.00 C +ATOM 64 CA THR A 64 244.440 256.713 260.364 1.00 0.00 C +ATOM 65 CA ASN A 65 245.120 260.460 260.458 1.00 0.00 C +ATOM 66 CA THR A 66 242.307 262.252 262.300 1.00 0.00 C +ATOM 67 CA ASN A 67 238.648 261.859 263.287 1.00 0.00 C +ATOM 68 CA LYS A 68 235.922 263.005 265.689 1.00 0.00 C +ATOM 69 CA PHE A 69 232.134 263.359 265.480 1.00 0.00 C +ATOM 70 CA SER A 70 231.091 262.412 261.940 1.00 0.00 C +ATOM 71 CA PHE A 71 229.607 260.048 259.347 1.00 0.00 C +ATOM 72 CA GLY A 72 231.788 258.363 256.717 1.00 0.00 C +ATOM 73 CA SER A 73 235.376 257.180 256.227 1.00 0.00 C +ATOM 74 CA GLU A 74 237.953 259.581 254.774 1.00 0.00 C +ATOM 75 CA CYS A 75 239.087 258.827 251.215 1.00 0.00 C +ATOM 76 CA THR A 76 236.044 258.452 248.954 1.00 0.00 C +ATOM 77 CA TRP A 77 235.185 261.682 247.125 1.00 0.00 C +ATOM 78 CA ILE A 78 231.617 262.642 248.053 1.00 0.00 C +ATOM 79 CA GLN A 79 230.599 266.314 248.058 1.00 0.00 C +ATOM 80 CA PRO A 80 226.939 267.036 248.836 1.00 0.00 C +ATOM 81 CA PRO A 81 223.926 267.525 246.556 1.00 0.00 C +ATOM 82 CA GLY A 82 223.921 270.360 244.011 1.00 0.00 C +ATOM 83 CA MET A 83 224.618 274.101 243.817 1.00 0.00 C +ATOM 84 CA GLY A 84 224.022 276.495 246.720 1.00 0.00 C +ATOM 85 CA ARG A 85 226.416 277.507 249.507 1.00 0.00 C +ATOM 86 CA GLY A 86 227.808 278.253 252.974 1.00 0.00 C +ATOM 87 CA PRO A 87 226.647 281.520 254.554 1.00 0.00 C +ATOM 88 CA SER A 88 227.948 283.129 257.753 1.00 0.00 C +ATOM 89 CA SER A 89 229.373 286.081 259.694 1.00 0.00 C +ATOM 90 CA THR A 90 230.541 289.597 258.802 1.00 0.00 C +ATOM 91 CA THR A 91 233.271 292.238 259.101 1.00 0.00 C +ATOM 92 CA GLN A 92 236.650 291.964 257.364 1.00 0.00 C +ATOM 93 CA SER A 93 239.189 294.222 259.087 1.00 0.00 C +ATOM 94 CA LEU A 94 242.666 293.695 257.621 1.00 0.00 C +ATOM 95 CA PRO A 95 246.423 293.071 257.500 1.00 0.00 C +ATOM 96 CA SER A 96 249.334 290.613 257.473 1.00 0.00 C +ATOM 97 CA ILE A 97 251.329 288.814 254.771 1.00 0.00 C +ATOM 98 CA ASN A 98 254.910 287.528 254.967 1.00 0.00 C +ATOM 99 CA GLU A 99 254.718 283.860 255.983 1.00 0.00 C +ATOM 100 CA ALA A 100 253.992 281.144 253.411 1.00 0.00 C +ATOM 101 CA LEU A 101 251.446 278.441 252.561 1.00 0.00 C +ATOM 102 CA ILE A 102 250.542 278.449 248.860 1.00 0.00 C +ATOM 103 CA SER A 103 246.815 279.124 248.445 1.00 0.00 C +ATOM 104 CA SER A 104 243.824 278.460 246.180 1.00 0.00 C +ATOM 105 CA LEU A 105 242.220 278.129 242.740 1.00 0.00 C +ATOM 106 CA ALA A 106 240.592 281.335 241.480 1.00 0.00 C +ATOM 107 CA LEU A 107 236.858 280.597 241.320 1.00 0.00 C +ATOM 108 CA ASN A 108 236.289 278.059 244.103 1.00 0.00 C +ATOM 109 CA LYS A 109 237.156 274.546 245.295 1.00 0.00 C +ATOM 110 CA THR A 110 238.233 274.967 248.925 1.00 0.00 C +ATOM 111 CA GLN A 111 239.362 275.231 252.555 1.00 0.00 C +ATOM 112 CA PRO A 112 242.931 274.458 253.639 1.00 0.00 C +ATOM 113 CA GLY A 113 244.963 271.287 253.057 1.00 0.00 C +ATOM 114 CA GLY A 114 245.741 269.832 256.491 1.00 0.00 C +ATOM 115 CA ARG A 115 247.718 266.586 256.226 1.00 0.00 C +ATOM 116 CA ASP A 116 250.385 264.931 258.386 1.00 0.00 C +ATOM 117 CA ARG A 117 253.456 266.599 259.904 1.00 0.00 C +ATOM 118 CA ASP A 118 252.998 270.300 260.686 1.00 0.00 C +ATOM 119 CA GLN A 119 253.997 273.291 258.547 1.00 0.00 C +ATOM 120 CA GLU A 120 255.449 273.271 255.025 1.00 0.00 C +ATOM 121 CA LYS A 121 253.677 271.903 251.942 1.00 0.00 C +ATOM 122 CA LEU A 122 250.810 270.054 250.246 1.00 0.00 C +ATOM 123 CA PRO A 123 248.896 269.692 246.971 1.00 0.00 C +ATOM 124 CA TRP A 124 247.121 267.572 244.350 1.00 0.00 C +ATOM 125 CA PHE A 125 246.262 263.971 243.450 1.00 0.00 C +ATOM 126 CA THR A 126 244.463 261.920 246.110 1.00 0.00 C +ATOM 127 CA ALA A 127 243.038 258.485 245.284 1.00 0.00 C +ATOM 128 CA GLU A 128 242.069 254.838 245.812 1.00 0.00 C +ATOM 129 CA PRO A 129 242.148 251.812 243.498 1.00 0.00 C +ATOM 130 CA PRO A 130 240.925 248.260 242.861 1.00 0.00 C +ATOM 131 CA VAL A 131 239.917 244.590 243.044 1.00 0.00 C +ATOM 132 CA CYS A 132 237.695 242.576 240.694 1.00 0.00 C +ATOM 133 CA ASP A 133 238.832 239.818 238.324 1.00 0.00 C +ATOM 134 CA VAL A 134 239.898 237.793 235.278 1.00 0.00 C +ATOM 135 CA ASP A 135 238.980 234.763 233.159 1.00 0.00 C +TER 136 ASP A 135 +END diff --git a/Mammals/Q3T9W8/Q3T9W8.dcd b/Mammals/Q3T9W8/Q3T9W8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..76e2a5f29196e68e1d830f7a76735000244ffeaa --- /dev/null +++ b/Mammals/Q3T9W8/Q3T9W8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:352043d0bfb494cba4c56260f35128c7038a0d778a671dcaa020b5cc259a2796 +size 4760276 diff --git a/Mammals/Q3T9W8/top.pdb b/Mammals/Q3T9W8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7715f8e7161db2cfdac1472d93c4648c4f3531e1 --- /dev/null +++ b/Mammals/Q3T9W8/top.pdb @@ -0,0 +1,37 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLY A 1 227.650 253.419 247.532 1.00 0.00 C +ATOM 2 CA SER A 2 230.513 250.909 247.407 1.00 0.00 C +ATOM 3 CA VAL A 3 231.256 248.318 250.101 1.00 0.00 C +ATOM 4 CA THR A 4 232.042 244.640 250.707 1.00 0.00 C +ATOM 5 CA LEU A 5 233.205 242.703 253.775 1.00 0.00 C +ATOM 6 CA ARG A 6 232.283 244.688 256.893 1.00 0.00 C +ATOM 7 CA GLY A 7 233.608 246.815 259.763 1.00 0.00 C +ATOM 8 CA ALA A 8 236.320 245.481 262.083 1.00 0.00 C +ATOM 9 CA PRO A 9 239.715 246.152 263.678 1.00 0.00 C +ATOM 10 CA PRO A 10 242.555 248.415 264.830 1.00 0.00 C +ATOM 11 CA ARG A 11 243.119 251.992 266.013 1.00 0.00 C +ATOM 12 CA PRO A 12 245.150 255.212 265.858 1.00 0.00 C +ATOM 13 CA ARG A 13 247.771 256.818 263.606 1.00 0.00 C +ATOM 14 CA ASN A 14 251.047 255.157 264.618 1.00 0.00 C +ATOM 15 CA ARG A 15 253.747 256.351 262.211 1.00 0.00 C +ATOM 16 CA GLY A 16 254.280 256.234 258.440 1.00 0.00 C +ATOM 17 CA ARG A 17 252.383 257.200 255.281 1.00 0.00 C +ATOM 18 CA ARG A 18 254.902 257.984 252.532 1.00 0.00 C +ATOM 19 CA GLY A 19 258.349 256.394 252.196 1.00 0.00 C +ATOM 20 CA PRO A 20 260.612 255.394 249.299 1.00 0.00 C +ATOM 21 CA LYS A 21 259.029 255.629 245.841 1.00 0.00 C +ATOM 22 CA CYS A 22 257.302 257.634 243.101 1.00 0.00 C +ATOM 23 CA PHE A 23 256.639 256.568 239.503 1.00 0.00 C +ATOM 24 CA SER A 24 256.347 253.717 236.993 1.00 0.00 C +ATOM 25 CA SER A 25 258.158 250.372 237.222 1.00 0.00 C +ATOM 26 CA ARG A 26 260.203 247.568 235.651 1.00 0.00 C +ATOM 27 CA GLN A 27 263.568 246.220 234.478 1.00 0.00 C +ATOM 28 CA VAL A 28 266.719 246.289 236.618 1.00 0.00 C +ATOM 29 CA PRO A 29 267.320 245.085 240.182 1.00 0.00 C +ATOM 30 CA LYS A 30 264.484 242.659 240.948 1.00 0.00 C +ATOM 31 CA LEU A 31 261.815 239.945 240.774 1.00 0.00 C +ATOM 32 CA ARG A 32 259.763 239.453 237.602 1.00 0.00 C +ATOM 33 CA GLY A 33 258.147 238.585 234.263 1.00 0.00 C +TER 34 GLY A 33 +END diff --git a/Mammals/Q3TA10/Q3TA10.dcd b/Mammals/Q3TA10/Q3TA10.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f528f8e051a89c4aef83fb3d09a8f05d5f44b6ac --- /dev/null +++ b/Mammals/Q3TA10/Q3TA10.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1921800d71dbcf992c3c66e68802be646ce679a300478894e5fbb1bbbd788687 +size 5840276 diff --git a/Mammals/Q3TA10/top.pdb b/Mammals/Q3TA10/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..fa5f38f9239c90c7041b51ee8b861b2367334a84 --- /dev/null +++ b/Mammals/Q3TA10/top.pdb @@ -0,0 +1,46 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLY A 1 270.544 262.647 263.713 1.00 0.00 C +ATOM 2 CA VAL A 2 272.055 259.151 263.628 1.00 0.00 C +ATOM 3 CA PHE A 3 273.620 257.015 260.889 1.00 0.00 C +ATOM 4 CA SER A 4 272.125 253.547 261.393 1.00 0.00 C +ATOM 5 CA PHE A 5 270.485 251.104 258.973 1.00 0.00 C +ATOM 6 CA SER A 6 270.668 247.717 260.709 1.00 0.00 C +ATOM 7 CA GLN A 7 267.760 245.291 261.119 1.00 0.00 C +ATOM 8 CA SER A 8 267.081 242.228 258.957 1.00 0.00 C +ATOM 9 CA PRO A 9 267.879 238.829 260.483 1.00 0.00 C +ATOM 10 CA ALA A 10 268.785 235.224 259.649 1.00 0.00 C +ATOM 11 CA SER A 11 266.275 232.376 259.979 1.00 0.00 C +ATOM 12 CA PHE A 12 266.213 228.942 258.329 1.00 0.00 C +ATOM 13 CA THR A 13 267.531 228.279 254.816 1.00 0.00 C +ATOM 14 CA VAL A 14 266.292 231.074 252.543 1.00 0.00 C +ATOM 15 CA GLY A 15 264.532 234.378 251.835 1.00 0.00 C +ATOM 16 CA SER A 16 263.858 237.667 253.638 1.00 0.00 C +ATOM 17 CA ASN A 17 262.142 240.151 251.314 1.00 0.00 C +ATOM 18 CA GLY A 18 258.466 239.407 250.644 1.00 0.00 C +ATOM 19 CA LYS A 19 255.629 241.950 250.665 1.00 0.00 C +ATOM 20 CA ASN A 20 251.922 242.733 250.261 1.00 0.00 C +ATOM 21 CA MET A 21 249.786 245.782 251.070 1.00 0.00 C +ATOM 22 CA PHE A 22 248.981 249.216 252.511 1.00 0.00 C +ATOM 23 CA SER A 23 248.980 253.026 252.522 1.00 0.00 C +ATOM 24 CA SER A 24 247.879 254.158 249.054 1.00 0.00 C +ATOM 25 CA SER A 25 246.894 254.240 245.375 1.00 0.00 C +ATOM 26 CA GLY A 26 244.768 253.758 242.249 1.00 0.00 C +ATOM 27 CA THR A 27 243.486 253.343 238.686 1.00 0.00 C +ATOM 28 CA SER A 28 239.997 254.631 237.857 1.00 0.00 C +ATOM 29 CA VAL A 29 240.025 257.022 234.891 1.00 0.00 C +ATOM 30 CA SER A 30 240.900 260.728 234.745 1.00 0.00 C +ATOM 31 CA GLY A 31 238.188 263.387 235.041 1.00 0.00 C +ATOM 32 CA ARG A 32 236.354 262.639 238.296 1.00 0.00 C +ATOM 33 CA LYS A 33 233.194 261.996 240.324 1.00 0.00 C +ATOM 34 CA ILE A 34 230.053 262.215 242.470 1.00 0.00 C +ATOM 35 CA LYS A 35 229.205 261.140 246.025 1.00 0.00 C +ATOM 36 CA THR A 36 229.916 257.415 246.385 1.00 0.00 C +ATOM 37 CA ALA A 37 227.077 254.878 246.229 1.00 0.00 C +ATOM 38 CA VAL A 38 224.240 255.896 248.559 1.00 0.00 C +ATOM 39 CA ARG A 39 222.533 259.150 247.551 1.00 0.00 C +ATOM 40 CA ARG A 40 220.074 259.822 244.720 1.00 0.00 C +ATOM 41 CA LYS A 41 217.557 259.403 241.890 1.00 0.00 C +ATOM 42 CA LYS A 42 216.051 256.449 240.014 1.00 0.00 C +TER 43 LYS A 42 +END diff --git a/Mammals/Q3TDK5/Q3TDK5.dcd b/Mammals/Q3TDK5/Q3TDK5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..5fc88a2cde6b7d3ffd2832c6ef1c1da41b0b89ff --- /dev/null +++ b/Mammals/Q3TDK5/Q3TDK5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b9e7da14d85e0a832450d654d83afaa2a5f4da73df0b705c3649fd7dce2c707a +size 13400276 diff --git a/Mammals/Q3TDK5/top.pdb b/Mammals/Q3TDK5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..fc4eb7d202e9498f5814f69b0cd21175b838da9f --- /dev/null +++ b/Mammals/Q3TDK5/top.pdb @@ -0,0 +1,109 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 272.212 245.755 240.030 1.00 0.00 C +ATOM 2 CA GLU A 2 274.169 242.835 241.500 1.00 0.00 C +ATOM 3 CA THR A 3 272.649 239.569 242.742 1.00 0.00 C +ATOM 4 CA ALA A 4 269.411 240.415 244.563 1.00 0.00 C +ATOM 5 CA GLY A 5 267.662 240.404 247.948 1.00 0.00 C +ATOM 6 CA SER A 6 269.325 240.597 251.371 1.00 0.00 C +ATOM 7 CA LYS A 7 271.825 237.765 251.862 1.00 0.00 C +ATOM 8 CA GLN A 8 270.309 234.705 253.552 1.00 0.00 C +ATOM 9 CA PRO A 9 269.190 235.567 257.091 1.00 0.00 C +ATOM 10 CA ARG A 10 268.496 235.858 260.826 1.00 0.00 C +ATOM 11 CA SER A 11 267.968 236.589 264.527 1.00 0.00 C +ATOM 12 CA GLU A 12 267.825 233.378 266.573 1.00 0.00 C +ATOM 13 CA THR A 13 268.247 230.350 268.848 1.00 0.00 C +ATOM 14 CA PRO A 14 266.435 227.099 268.035 1.00 0.00 C +ATOM 15 CA GLY A 15 267.014 223.373 268.579 1.00 0.00 C +ATOM 16 CA SER A 16 265.894 221.216 265.644 1.00 0.00 C +ATOM 17 CA GLU A 17 263.432 220.009 262.999 1.00 0.00 C +ATOM 18 CA ARG A 18 260.917 218.759 260.425 1.00 0.00 C +ATOM 19 CA ARG A 19 262.058 218.930 256.793 1.00 0.00 C +ATOM 20 CA LEU A 20 260.445 221.282 254.267 1.00 0.00 C +ATOM 21 CA LEU A 21 258.946 224.698 253.495 1.00 0.00 C +ATOM 22 CA PRO A 22 257.665 226.952 250.703 1.00 0.00 C +ATOM 23 CA ALA A 23 258.480 228.176 247.188 1.00 0.00 C +ATOM 24 CA ALA A 24 257.599 228.875 243.548 1.00 0.00 C +ATOM 25 CA LEU A 25 257.480 231.396 240.694 1.00 0.00 C +ATOM 26 CA ARG A 26 257.464 235.107 241.559 1.00 0.00 C +ATOM 27 CA ALA A 27 254.707 236.450 243.819 1.00 0.00 C +ATOM 28 CA ALA A 28 256.457 237.316 247.090 1.00 0.00 C +ATOM 29 CA THR A 29 255.879 239.924 249.806 1.00 0.00 C +ATOM 30 CA THR A 30 256.449 241.082 253.391 1.00 0.00 C +ATOM 31 CA SER A 31 256.562 241.099 257.199 1.00 0.00 C +ATOM 32 CA ARG A 32 254.964 244.315 258.472 1.00 0.00 C +ATOM 33 CA ARG A 33 255.062 248.103 258.872 1.00 0.00 C +ATOM 34 CA ALA A 34 255.859 251.599 257.586 1.00 0.00 C +ATOM 35 CA ARG A 35 256.154 254.604 255.262 1.00 0.00 C +ATOM 36 CA SER A 36 257.344 254.768 251.647 1.00 0.00 C +ATOM 37 CA THR A 37 256.723 252.169 248.931 1.00 0.00 C +ATOM 38 CA GLY A 38 253.929 249.583 248.784 1.00 0.00 C +ATOM 39 CA LEU A 39 253.253 247.769 245.502 1.00 0.00 C +ATOM 40 CA ARG A 40 251.631 247.668 242.056 1.00 0.00 C +ATOM 41 CA THR A 41 248.535 248.467 239.984 1.00 0.00 C +ATOM 42 CA SER A 42 244.842 248.594 239.059 1.00 0.00 C +ATOM 43 CA PRO A 43 243.154 245.182 238.880 1.00 0.00 C +ATOM 44 CA ARG A 44 241.195 242.099 237.796 1.00 0.00 C +ATOM 45 CA GLY A 45 238.415 239.614 237.017 1.00 0.00 C +ATOM 46 CA THR A 46 235.039 240.154 238.698 1.00 0.00 C +ATOM 47 CA ARG A 47 233.561 241.798 241.801 1.00 0.00 C +ATOM 48 CA PRO A 48 231.636 242.026 245.081 1.00 0.00 C +ATOM 49 CA PRO A 49 229.672 245.290 245.000 1.00 0.00 C +ATOM 50 CA ARG A 50 231.360 248.697 245.238 1.00 0.00 C +ATOM 51 CA LEU A 51 232.586 252.021 246.640 1.00 0.00 C +ATOM 52 CA PRO A 52 231.646 253.182 250.145 1.00 0.00 C +ATOM 53 CA GLU A 53 229.909 255.202 252.869 1.00 0.00 C +ATOM 54 CA ALA A 54 231.049 255.828 256.450 1.00 0.00 C +ATOM 55 CA THR A 55 230.959 259.613 256.874 1.00 0.00 C +ATOM 56 CA GLN A 56 228.844 261.026 254.037 1.00 0.00 C +ATOM 57 CA GLY A 57 226.550 264.068 254.083 1.00 0.00 C +ATOM 58 CA GLU A 58 226.054 265.173 250.471 1.00 0.00 C +ATOM 59 CA SER A 59 228.300 264.117 247.580 1.00 0.00 C +ATOM 60 CA THR A 60 229.000 264.348 243.842 1.00 0.00 C +ATOM 61 CA MET A 61 231.554 262.204 242.000 1.00 0.00 C +ATOM 62 CA ASN A 62 234.308 261.029 239.643 1.00 0.00 C +ATOM 63 CA SER A 63 235.486 258.338 237.217 1.00 0.00 C +ATOM 64 CA PRO A 64 234.311 254.778 237.896 1.00 0.00 C +ATOM 65 CA PRO A 65 234.640 251.014 237.401 1.00 0.00 C +ATOM 66 CA PRO A 66 238.346 250.227 237.805 1.00 0.00 C +ATOM 67 CA ARG A 67 239.522 252.601 240.543 1.00 0.00 C +ATOM 68 CA PRO A 68 239.060 253.112 244.290 1.00 0.00 C +ATOM 69 CA CYS A 69 240.763 253.832 247.621 1.00 0.00 C +ATOM 70 CA LEU A 70 244.184 254.417 249.194 1.00 0.00 C +ATOM 71 CA LEU A 71 247.270 252.200 248.924 1.00 0.00 C +ATOM 72 CA PRO A 72 248.789 250.575 252.018 1.00 0.00 C +ATOM 73 CA GLU A 73 248.471 252.362 255.368 1.00 0.00 C +ATOM 74 CA ASP A 74 245.175 254.146 256.056 1.00 0.00 C +ATOM 75 CA ARG A 75 243.809 254.600 259.583 1.00 0.00 C +ATOM 76 CA LEU A 76 243.739 252.653 262.857 1.00 0.00 C +ATOM 77 CA ALA A 77 242.436 250.776 265.906 1.00 0.00 C +ATOM 78 CA SER A 78 244.483 249.817 268.973 1.00 0.00 C +ATOM 79 CA PRO A 79 246.193 252.575 270.970 1.00 0.00 C +ATOM 80 CA GLY A 80 249.285 254.800 271.033 1.00 0.00 C +ATOM 81 CA ALA A 81 248.900 257.336 268.216 1.00 0.00 C +ATOM 82 CA CYS A 82 251.335 260.202 268.830 1.00 0.00 C +ATOM 83 CA ARG A 83 249.528 263.482 268.130 1.00 0.00 C +ATOM 84 CA ALA A 84 248.073 266.964 267.608 1.00 0.00 C +ATOM 85 CA GLU A 85 250.742 269.674 267.821 1.00 0.00 C +ATOM 86 CA PRO A 86 253.960 271.691 267.522 1.00 0.00 C +ATOM 87 CA GLN A 87 255.343 274.816 265.836 1.00 0.00 C +ATOM 88 CA ARG A 88 253.375 277.259 263.674 1.00 0.00 C +ATOM 89 CA THR A 89 252.451 277.914 260.037 1.00 0.00 C +ATOM 90 CA LEU A 90 251.328 277.590 256.410 1.00 0.00 C +ATOM 91 CA ARG A 91 250.260 274.083 255.373 1.00 0.00 C +ATOM 92 CA VAL A 92 250.682 271.514 252.591 1.00 0.00 C +ATOM 93 CA ALA A 93 249.359 271.839 249.033 1.00 0.00 C +ATOM 94 CA GLY A 94 248.670 270.668 245.473 1.00 0.00 C +ATOM 95 CA LYS A 95 249.252 269.945 241.778 1.00 0.00 C +ATOM 96 CA ARG A 96 247.761 270.789 238.375 1.00 0.00 C +ATOM 97 CA LYS A 97 249.040 269.619 234.982 1.00 0.00 C +ATOM 98 CA GLY A 98 250.779 268.330 231.847 1.00 0.00 C +ATOM 99 CA ASN A 99 251.827 265.553 229.459 1.00 0.00 C +ATOM 100 CA ARG A 100 252.577 261.988 228.341 1.00 0.00 C +ATOM 101 CA CYS A 101 250.332 259.245 226.944 1.00 0.00 C +ATOM 102 CA GLY A 102 250.741 255.457 226.952 1.00 0.00 C +ATOM 103 CA THR A 103 251.888 253.496 223.894 1.00 0.00 C +ATOM 104 CA GLN A 104 251.254 254.747 220.351 1.00 0.00 C +ATOM 105 CA SER A 105 248.322 257.137 219.895 1.00 0.00 C +TER 106 SER A 105 +END diff --git a/Mammals/Q3TEA4/Q3TEA4.dcd b/Mammals/Q3TEA4/Q3TEA4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..176877fc983f4b3a10786314d2a74cc4f41bd191 --- /dev/null +++ b/Mammals/Q3TEA4/Q3TEA4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:71cf0a34ec8b165f1ed5c0f37e781b24bd9f8ebe381c760ba7ac91c4e53d2d2b +size 43320276 diff --git a/Mammals/Q3TEA4/top.pdb b/Mammals/Q3TEA4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..bb78d6d7a0ddf9b4cbca7ff5bd522e72328df72e --- /dev/null +++ b/Mammals/Q3TEA4/top.pdb @@ -0,0 +1,238 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LEU A 1 273.614 320.924 317.328 1.00 0.00 C +ATOM 2 CA GLN A 2 275.426 318.611 314.903 1.00 0.00 C +ATOM 3 CA GLU A 3 275.876 315.645 312.554 1.00 0.00 C +ATOM 4 CA GLU A 4 277.096 312.777 310.362 1.00 0.00 C +ATOM 5 CA LEU A 5 275.889 313.333 306.791 1.00 0.00 C +ATOM 6 CA ARG A 6 275.945 310.258 304.542 1.00 0.00 C +ATOM 7 CA ARG A 7 277.704 310.123 301.165 1.00 0.00 C +ATOM 8 CA LEU A 8 275.012 310.608 298.511 1.00 0.00 C +ATOM 9 CA GLU A 9 272.114 308.182 298.032 1.00 0.00 C +ATOM 10 CA ARG A 10 268.525 306.947 297.699 1.00 0.00 C +ATOM 11 CA LEU A 11 265.992 305.189 299.937 1.00 0.00 C +ATOM 12 CA GLN A 12 264.606 307.810 302.330 1.00 0.00 C +ATOM 13 CA ASN A 13 265.704 310.012 305.239 1.00 0.00 C +ATOM 14 CA GLU A 14 269.512 310.046 305.132 1.00 0.00 C +ATOM 15 CA SER A 15 271.120 306.612 304.758 1.00 0.00 C +ATOM 16 CA VAL A 16 271.713 303.386 302.820 1.00 0.00 C +ATOM 17 CA HIS A 17 270.534 300.351 300.841 1.00 0.00 C +ATOM 18 CA GLN A 18 270.497 296.591 300.230 1.00 0.00 C +ATOM 19 CA CYS A 19 268.268 294.274 298.186 1.00 0.00 C +ATOM 20 CA GLN A 20 267.138 290.642 298.398 1.00 0.00 C +ATOM 21 CA SER A 21 264.596 287.867 297.802 1.00 0.00 C +ATOM 22 CA HIS A 22 264.477 284.823 295.514 1.00 0.00 C +ATOM 23 CA SER A 23 261.950 283.677 292.903 1.00 0.00 C +ATOM 24 CA LEU A 24 261.576 279.886 292.958 1.00 0.00 C +ATOM 25 CA GLU A 25 263.217 276.450 292.795 1.00 0.00 C +ATOM 26 CA GLU A 26 263.645 274.943 289.322 1.00 0.00 C +ATOM 27 CA GLU A 27 266.758 273.533 287.637 1.00 0.00 C +ATOM 28 CA VAL A 28 270.006 275.243 288.658 1.00 0.00 C +ATOM 29 CA ALA A 29 272.874 274.500 286.261 1.00 0.00 C +ATOM 30 CA PRO A 30 273.515 275.050 282.546 1.00 0.00 C +ATOM 31 CA GLY A 31 270.505 276.082 280.450 1.00 0.00 C +ATOM 32 CA SER A 32 270.497 274.514 276.978 1.00 0.00 C +ATOM 33 CA CYS A 33 267.763 272.968 274.822 1.00 0.00 C +ATOM 34 CA ARG A 34 266.006 269.834 273.555 1.00 0.00 C +ATOM 35 CA ASN A 35 267.230 266.322 272.727 1.00 0.00 C +ATOM 36 CA ASP A 36 265.093 263.604 274.327 1.00 0.00 C +ATOM 37 CA PRO A 37 262.693 262.158 271.746 1.00 0.00 C +ATOM 38 CA ARG A 38 260.841 259.675 269.527 1.00 0.00 C +ATOM 39 CA ASP A 39 263.005 256.540 269.533 1.00 0.00 C +ATOM 40 CA LYS A 40 263.858 254.245 272.452 1.00 0.00 C +ATOM 41 CA PRO A 41 265.063 252.637 275.689 1.00 0.00 C +ATOM 42 CA ARG A 42 266.759 250.373 278.241 1.00 0.00 C +ATOM 43 CA LEU A 43 265.699 250.421 281.900 1.00 0.00 C +ATOM 44 CA ARG A 44 263.432 253.454 282.321 1.00 0.00 C +ATOM 45 CA THR A 45 261.523 253.958 285.580 1.00 0.00 C +ATOM 46 CA SER A 46 261.953 251.543 288.495 1.00 0.00 C +ATOM 47 CA THR A 47 260.825 248.020 287.586 1.00 0.00 C +ATOM 48 CA GLN A 48 261.111 244.593 289.228 1.00 0.00 C +ATOM 49 CA GLN A 49 260.262 241.260 287.590 1.00 0.00 C +ATOM 50 CA GLU A 50 262.649 239.373 285.296 1.00 0.00 C +ATOM 51 CA GLN A 51 265.099 241.826 283.715 1.00 0.00 C +ATOM 52 CA SER A 52 268.312 242.364 285.689 1.00 0.00 C +ATOM 53 CA CYS A 53 269.434 245.199 287.974 1.00 0.00 C +ATOM 54 CA SER A 54 267.439 246.387 290.995 1.00 0.00 C +ATOM 55 CA TRP A 55 265.282 248.651 293.172 1.00 0.00 C +ATOM 56 CA SER A 56 266.639 252.134 293.906 1.00 0.00 C +ATOM 57 CA SER A 57 269.216 253.031 291.246 1.00 0.00 C +ATOM 58 CA THR A 58 272.060 250.589 290.565 1.00 0.00 C +ATOM 59 CA GLU A 59 272.904 250.466 286.852 1.00 0.00 C +ATOM 60 CA ARG A 60 275.005 247.363 286.163 1.00 0.00 C +ATOM 61 CA SER A 61 275.150 243.939 284.499 1.00 0.00 C +ATOM 62 CA GLY A 62 275.344 242.585 280.943 1.00 0.00 C +ATOM 63 CA ALA A 63 276.786 240.468 278.123 1.00 0.00 C +ATOM 64 CA ASP A 64 278.316 242.061 275.018 1.00 0.00 C +ATOM 65 CA SER A 65 281.214 244.354 274.092 1.00 0.00 C +ATOM 66 CA PRO A 66 280.282 245.693 270.649 1.00 0.00 C +ATOM 67 CA PRO A 67 278.537 243.922 267.762 1.00 0.00 C +ATOM 68 CA GLY A 68 275.072 244.816 266.453 1.00 0.00 C +ATOM 69 CA PRO A 69 272.401 243.071 264.372 1.00 0.00 C +ATOM 70 CA GLY A 70 269.316 244.009 262.341 1.00 0.00 C +ATOM 71 CA LEU A 71 266.703 244.691 259.654 1.00 0.00 C +ATOM 72 CA ASN A 72 263.355 244.512 257.844 1.00 0.00 C +ATOM 73 CA ARG A 73 261.851 244.771 254.353 1.00 0.00 C +ATOM 74 CA PRO A 74 263.565 246.894 251.694 1.00 0.00 C +ATOM 75 CA THR A 75 266.938 248.550 252.326 1.00 0.00 C +ATOM 76 CA SER A 76 268.917 249.865 255.304 1.00 0.00 C +ATOM 77 CA CYS A 77 269.415 251.728 258.590 1.00 0.00 C +ATOM 78 CA ASN A 78 272.939 252.884 259.462 1.00 0.00 C +ATOM 79 CA ASN A 79 274.759 249.765 260.677 1.00 0.00 C +ATOM 80 CA SER A 80 276.310 246.408 259.758 1.00 0.00 C +ATOM 81 CA ALA A 81 277.980 242.987 259.912 1.00 0.00 C +ATOM 82 CA GLU A 82 280.991 242.653 257.601 1.00 0.00 C +ATOM 83 CA ASN A 83 284.302 244.146 258.750 1.00 0.00 C +ATOM 84 CA ARG A 84 286.930 241.395 258.560 1.00 0.00 C +ATOM 85 CA ASP A 85 290.494 242.447 257.720 1.00 0.00 C +ATOM 86 CA GLY A 86 294.025 242.602 256.295 1.00 0.00 C +ATOM 87 CA ARG A 87 296.083 240.910 253.572 1.00 0.00 C +ATOM 88 CA GLY A 88 298.371 239.175 251.068 1.00 0.00 C +ATOM 89 CA ASP A 89 296.897 236.175 249.240 1.00 0.00 C +ATOM 90 CA GLY A 90 293.896 237.363 247.216 1.00 0.00 C +ATOM 91 CA LEU A 91 295.287 239.349 244.278 1.00 0.00 C +ATOM 92 CA ASP A 92 294.788 243.098 243.812 1.00 0.00 C +ATOM 93 CA TRP A 93 296.601 244.674 246.768 1.00 0.00 C +ATOM 94 CA LEU A 94 295.168 246.418 249.838 1.00 0.00 C +ATOM 95 CA ASP A 95 294.399 249.873 251.249 1.00 0.00 C +ATOM 96 CA PRO A 96 291.982 252.614 250.173 1.00 0.00 C +ATOM 97 CA THR A 97 290.053 252.439 246.892 1.00 0.00 C +ATOM 98 CA SER A 98 287.775 254.517 244.655 1.00 0.00 C +ATOM 99 CA SER A 99 288.741 256.271 241.413 1.00 0.00 C +ATOM 100 CA PRO A 100 289.589 256.191 237.700 1.00 0.00 C +ATOM 101 CA GLU A 101 290.976 252.824 236.577 1.00 0.00 C +ATOM 102 CA ILE A 102 293.826 251.413 234.480 1.00 0.00 C +ATOM 103 CA ALA A 103 297.108 252.959 235.646 1.00 0.00 C +ATOM 104 CA PRO A 104 298.204 256.177 237.367 1.00 0.00 C +ATOM 105 CA GLU A 105 297.650 258.997 239.867 1.00 0.00 C +ATOM 106 CA SER A 106 295.782 261.249 242.308 1.00 0.00 C +ATOM 107 CA THR A 107 293.548 263.131 244.754 1.00 0.00 C +ATOM 108 CA ILE A 108 289.752 263.224 244.437 1.00 0.00 C +ATOM 109 CA VAL A 109 287.692 264.719 241.603 1.00 0.00 C +ATOM 110 CA SER A 110 285.756 264.297 238.348 1.00 0.00 C +ATOM 111 CA PRO A 111 284.247 264.134 234.854 1.00 0.00 C +ATOM 112 CA ASN A 112 281.324 264.863 232.522 1.00 0.00 C +ATOM 113 CA VAL A 113 278.163 263.084 233.689 1.00 0.00 C +ATOM 114 CA LYS A 114 275.916 261.844 230.874 1.00 0.00 C +ATOM 115 CA THR A 115 272.359 261.208 229.665 1.00 0.00 C +ATOM 116 CA THR A 116 269.941 262.246 232.421 1.00 0.00 C +ATOM 117 CA GLU A 117 269.070 263.561 235.889 1.00 0.00 C +ATOM 118 CA LYS A 118 267.219 265.679 238.459 1.00 0.00 C +ATOM 119 CA ASN A 119 263.795 265.908 240.114 1.00 0.00 C +ATOM 120 CA VAL A 120 263.109 269.467 241.288 1.00 0.00 C +ATOM 121 CA ASN A 121 264.139 273.125 241.560 1.00 0.00 C +ATOM 122 CA LEU A 122 266.688 274.483 239.075 1.00 0.00 C +ATOM 123 CA LYS A 123 266.891 274.551 235.271 1.00 0.00 C +ATOM 124 CA ILE A 124 264.198 273.560 232.765 1.00 0.00 C +ATOM 125 CA SER A 125 265.129 272.793 229.151 1.00 0.00 C +ATOM 126 CA ASN A 126 264.496 272.521 225.404 1.00 0.00 C +ATOM 127 CA ASN A 127 261.267 270.517 225.137 1.00 0.00 C +ATOM 128 CA LYS A 128 257.806 269.331 226.202 1.00 0.00 C +ATOM 129 CA SER A 129 257.739 266.878 229.117 1.00 0.00 C +ATOM 130 CA GLN A 130 258.519 266.720 232.843 1.00 0.00 C +ATOM 131 CA GLY A 131 255.604 267.364 235.211 1.00 0.00 C +ATOM 132 CA LYS A 132 252.135 266.344 236.410 1.00 0.00 C +ATOM 133 CA GLU A 133 250.715 263.568 238.600 1.00 0.00 C +ATOM 134 CA LYS A 134 250.251 260.374 240.625 1.00 0.00 C +ATOM 135 CA HIS A 135 251.940 260.392 244.040 1.00 0.00 C +ATOM 136 CA GLY A 136 250.071 257.892 246.224 1.00 0.00 C +ATOM 137 CA PRO A 137 246.642 256.387 245.520 1.00 0.00 C +ATOM 138 CA GLN A 138 245.665 254.983 242.116 1.00 0.00 C +ATOM 139 CA GLN A 139 244.681 252.436 239.458 1.00 0.00 C +ATOM 140 CA ARG A 140 241.057 253.142 238.516 1.00 0.00 C +ATOM 141 CA SER A 141 237.307 252.569 238.874 1.00 0.00 C +ATOM 142 CA LYS A 142 234.447 252.154 241.356 1.00 0.00 C +ATOM 143 CA LEU A 143 235.353 249.487 243.920 1.00 0.00 C +ATOM 144 CA LEU A 144 238.982 249.489 245.079 1.00 0.00 C +ATOM 145 CA GLU A 145 240.947 246.243 245.425 1.00 0.00 C +ATOM 146 CA ALA A 146 241.613 244.401 242.157 1.00 0.00 C +ATOM 147 CA GLY A 147 242.426 244.129 238.445 1.00 0.00 C +ATOM 148 CA HIS A 148 244.499 246.904 236.858 1.00 0.00 C +ATOM 149 CA LEU A 149 247.148 248.429 234.583 1.00 0.00 C +ATOM 150 CA PRO A 150 246.971 249.478 230.925 1.00 0.00 C +ATOM 151 CA SER A 151 247.923 250.463 227.370 1.00 0.00 C +ATOM 152 CA SER A 152 247.558 249.779 223.640 1.00 0.00 C +ATOM 153 CA GLY A 153 245.610 247.210 221.610 1.00 0.00 C +ATOM 154 CA ALA A 154 246.100 243.549 222.546 1.00 0.00 C +ATOM 155 CA MET A 155 248.461 240.777 221.425 1.00 0.00 C +ATOM 156 CA ASN A 156 252.258 240.873 221.131 1.00 0.00 C +ATOM 157 CA ALA A 157 254.012 242.075 217.970 1.00 0.00 C +ATOM 158 CA PRO A 158 251.373 243.025 215.392 1.00 0.00 C +ATOM 159 CA LEU A 159 248.116 242.605 213.459 1.00 0.00 C +ATOM 160 CA ARG A 160 245.455 239.881 213.582 1.00 0.00 C +ATOM 161 CA SER A 161 244.385 237.307 216.179 1.00 0.00 C +ATOM 162 CA HIS A 162 241.595 234.903 217.157 1.00 0.00 C +ATOM 163 CA GLY A 163 238.617 232.705 218.059 1.00 0.00 C +ATOM 164 CA VAL A 164 234.897 232.998 218.828 1.00 0.00 C +ATOM 165 CA LYS A 165 232.882 231.748 221.810 1.00 0.00 C +ATOM 166 CA ARG A 166 231.075 228.707 223.226 1.00 0.00 C +ATOM 167 CA THR A 167 230.547 225.929 220.673 1.00 0.00 C +ATOM 168 CA LYS A 168 228.882 224.511 217.553 1.00 0.00 C +ATOM 169 CA ALA A 169 228.224 224.572 213.801 1.00 0.00 C +ATOM 170 CA SER A 170 227.187 227.909 212.282 1.00 0.00 C +ATOM 171 CA GLN A 171 224.056 230.054 211.941 1.00 0.00 C +ATOM 172 CA ALA A 172 221.620 229.825 214.861 1.00 0.00 C +ATOM 173 CA VAL A 173 222.925 227.680 217.727 1.00 0.00 C +ATOM 174 CA VAL A 174 223.517 229.363 221.093 1.00 0.00 C +ATOM 175 CA VAL A 175 223.225 232.315 223.484 1.00 0.00 C +ATOM 176 CA SER A 176 223.030 234.057 226.867 1.00 0.00 C +ATOM 177 CA GLU A 177 225.114 237.215 226.415 1.00 0.00 C +ATOM 178 CA ALA A 178 228.500 238.872 226.969 1.00 0.00 C +ATOM 179 CA GLY A 179 230.580 242.016 227.518 1.00 0.00 C +ATOM 180 CA ARG A 180 233.387 243.317 229.741 1.00 0.00 C +ATOM 181 CA GLY A 181 233.516 242.160 233.369 1.00 0.00 C +ATOM 182 CA ASP A 182 233.154 239.032 235.515 1.00 0.00 C +ATOM 183 CA GLU A 183 232.300 235.582 234.143 1.00 0.00 C +ATOM 184 CA GLU A 184 232.277 233.604 230.887 1.00 0.00 C +ATOM 185 CA ASP A 185 233.198 229.910 230.761 1.00 0.00 C +ATOM 186 CA SER A 186 234.117 227.163 233.237 1.00 0.00 C +ATOM 187 CA VAL A 187 233.785 224.532 235.973 1.00 0.00 C +ATOM 188 CA PRO A 188 233.124 223.924 239.675 1.00 0.00 C +ATOM 189 CA ARG A 189 231.394 222.464 242.740 1.00 0.00 C +ATOM 190 CA ARG A 190 227.653 222.022 243.313 1.00 0.00 C +ATOM 191 CA LEU A 191 225.969 225.426 243.010 1.00 0.00 C +ATOM 192 CA PRO A 192 223.208 227.784 244.164 1.00 0.00 C +ATOM 193 CA LYS A 193 224.301 229.863 247.164 1.00 0.00 C +ATOM 194 CA LEU A 194 221.578 232.395 247.992 1.00 0.00 C +ATOM 195 CA LEU A 195 217.912 233.180 248.670 1.00 0.00 C +ATOM 196 CA LYS A 196 216.435 233.845 245.221 1.00 0.00 C +ATOM 197 CA GLU A 197 217.837 233.641 241.684 1.00 0.00 C +ATOM 198 CA GLY A 198 215.909 236.084 239.487 1.00 0.00 C +ATOM 199 CA SER A 199 213.254 236.778 236.844 1.00 0.00 C +ATOM 200 CA GLN A 200 214.871 237.518 233.474 1.00 0.00 C +ATOM 201 CA ASN A 201 215.054 235.346 230.349 1.00 0.00 C +ATOM 202 CA VAL A 202 215.348 232.856 227.480 1.00 0.00 C +ATOM 203 CA CYS A 203 214.304 229.485 226.046 1.00 0.00 C +ATOM 204 CA ARG A 204 213.421 225.840 225.374 1.00 0.00 C +ATOM 205 CA SER A 205 211.760 222.430 225.742 1.00 0.00 C +ATOM 206 CA THR A 206 208.669 220.260 225.241 1.00 0.00 C +ATOM 207 CA THR A 207 205.805 220.143 227.751 1.00 0.00 C +ATOM 208 CA ARG A 208 202.680 221.837 226.378 1.00 0.00 C +ATOM 209 CA VAL A 209 198.960 221.922 225.562 1.00 0.00 C +ATOM 210 CA ARG A 210 195.367 223.160 225.840 1.00 0.00 C +ATOM 211 CA PRO A 211 193.615 223.524 222.476 1.00 0.00 C +ATOM 212 CA LEU A 212 191.564 224.224 219.343 1.00 0.00 C +ATOM 213 CA PRO A 213 193.556 222.759 216.444 1.00 0.00 C +ATOM 214 CA PRO A 214 192.346 219.182 215.938 1.00 0.00 C +ATOM 215 CA THR A 215 192.271 217.656 212.448 1.00 0.00 C +ATOM 216 CA VAL A 216 190.287 214.694 211.107 1.00 0.00 C +ATOM 217 CA PRO A 217 187.367 213.847 208.810 1.00 0.00 C +ATOM 218 CA LEU A 218 184.654 212.501 211.123 1.00 0.00 C +ATOM 219 CA SER A 219 185.259 209.992 213.925 1.00 0.00 C +ATOM 220 CA LEU A 220 184.349 206.367 213.186 1.00 0.00 C +ATOM 221 CA SER A 221 180.571 206.030 213.552 1.00 0.00 C +ATOM 222 CA ILE A 222 178.368 209.077 212.937 1.00 0.00 C +ATOM 223 CA PRO A 223 177.965 212.856 212.671 1.00 0.00 C +ATOM 224 CA SER A 224 177.223 216.462 213.653 1.00 0.00 C +ATOM 225 CA PRO A 225 173.938 218.361 214.000 1.00 0.00 C +ATOM 226 CA GLY A 226 170.276 217.364 213.670 1.00 0.00 C +ATOM 227 CA SER A 227 166.517 217.033 214.199 1.00 0.00 C +ATOM 228 CA GLY A 228 165.594 216.083 217.771 1.00 0.00 C +ATOM 229 CA LYS A 229 165.392 214.417 221.191 1.00 0.00 C +ATOM 230 CA ARG A 230 165.755 212.882 224.660 1.00 0.00 C +ATOM 231 CA SER A 231 166.330 209.356 225.984 1.00 0.00 C +ATOM 232 CA GLY A 232 168.071 207.542 228.847 1.00 0.00 C +ATOM 233 CA THR A 233 171.323 206.365 230.444 1.00 0.00 C +ATOM 234 CA PRO A 234 173.798 205.212 233.102 1.00 0.00 C +TER 235 PRO A 234 +END diff --git a/Mammals/Q3TEQ0/Q3TEQ0.dcd b/Mammals/Q3TEQ0/Q3TEQ0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..ce3f33708c50381d0fb72cdef79fd2f940df6cf3 --- /dev/null +++ b/Mammals/Q3TEQ0/Q3TEQ0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4bc76b02571ecd3cd12d3ef8138cab2ae3a64d091e8df1e21747ace5868af15b +size 7040276 diff --git a/Mammals/Q3TEQ0/top.pdb b/Mammals/Q3TEQ0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..50393c7679c796d30d23ba7af46594c6783c7e92 --- /dev/null +++ b/Mammals/Q3TEQ0/top.pdb @@ -0,0 +1,56 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA PHE A 1 242.441 207.879 253.570 1.00 0.00 C +ATOM 2 CA GLN A 2 238.655 207.963 253.149 1.00 0.00 C +ATOM 3 CA ARG A 3 235.206 209.055 254.344 1.00 0.00 C +ATOM 4 CA GLY A 4 234.189 212.397 255.864 1.00 0.00 C +ATOM 5 CA ARG A 5 230.489 212.911 255.112 1.00 0.00 C +ATOM 6 CA GLY A 6 229.539 214.144 251.635 1.00 0.00 C +ATOM 7 CA ARG A 7 230.543 216.802 249.096 1.00 0.00 C +ATOM 8 CA PHE A 8 229.823 220.426 248.167 1.00 0.00 C +ATOM 9 CA ASN A 9 230.770 223.323 250.454 1.00 0.00 C +ATOM 10 CA PHE A 10 231.575 226.732 248.956 1.00 0.00 C +ATOM 11 CA LYS A 11 233.792 228.532 246.434 1.00 0.00 C +ATOM 12 CA LYS A 12 231.429 229.770 243.714 1.00 0.00 C +ATOM 13 CA SER A 13 232.569 227.991 240.543 1.00 0.00 C +ATOM 14 CA GLY A 14 230.180 228.861 237.706 1.00 0.00 C +ATOM 15 CA SER A 15 229.493 232.454 236.641 1.00 0.00 C +ATOM 16 CA SER A 16 231.840 235.256 237.715 1.00 0.00 C +ATOM 17 CA PRO A 17 233.451 236.950 240.724 1.00 0.00 C +ATOM 18 CA LYS A 18 235.353 240.250 240.659 1.00 0.00 C +ATOM 19 CA TRP A 19 236.635 243.257 238.702 1.00 0.00 C +ATOM 20 CA THR A 20 240.193 242.920 237.382 1.00 0.00 C +ATOM 21 CA HIS A 21 243.717 244.368 237.394 1.00 0.00 C +ATOM 22 CA ASP A 22 247.172 243.466 236.065 1.00 0.00 C +ATOM 23 CA LYS A 23 249.468 243.783 233.042 1.00 0.00 C +ATOM 24 CA TYR A 24 252.632 245.895 232.827 1.00 0.00 C +ATOM 25 CA GLN A 25 252.014 248.974 230.671 1.00 0.00 C +ATOM 26 CA GLY A 26 250.426 250.300 227.471 1.00 0.00 C +ATOM 27 CA ASP A 27 248.072 253.137 228.435 1.00 0.00 C +ATOM 28 CA GLY A 28 250.153 256.171 229.424 1.00 0.00 C +ATOM 29 CA ILE A 29 252.081 256.576 232.685 1.00 0.00 C +ATOM 30 CA VAL A 30 255.275 257.302 234.632 1.00 0.00 C +ATOM 31 CA GLU A 31 255.973 260.044 237.183 1.00 0.00 C +ATOM 32 CA ASP A 32 258.562 259.294 239.876 1.00 0.00 C +ATOM 33 CA ASP A 33 260.835 262.197 240.837 1.00 0.00 C +ATOM 34 CA GLU A 34 263.837 264.122 242.178 1.00 0.00 C +ATOM 35 CA GLU A 35 263.169 267.873 242.209 1.00 0.00 C +ATOM 36 CA THR A 36 260.643 269.099 244.785 1.00 0.00 C +ATOM 37 CA MET A 37 261.603 272.228 246.736 1.00 0.00 C +ATOM 38 CA GLU A 38 262.511 273.260 250.289 1.00 0.00 C +ATOM 39 CA ASN A 39 264.620 272.601 253.393 1.00 0.00 C +ATOM 40 CA ASN A 40 266.630 274.065 256.280 1.00 0.00 C +ATOM 41 CA GLU A 41 264.961 274.879 259.607 1.00 0.00 C +ATOM 42 CA GLU A 42 266.649 275.771 262.904 1.00 0.00 C +ATOM 43 CA LYS A 43 265.715 277.875 265.940 1.00 0.00 C +ATOM 44 CA LYS A 44 263.774 280.572 267.803 1.00 0.00 C +ATOM 45 CA ASP A 45 263.206 280.710 271.568 1.00 0.00 C +ATOM 46 CA ARG A 46 266.334 279.222 273.155 1.00 0.00 C +ATOM 47 CA ARG A 47 266.891 279.309 276.922 1.00 0.00 C +ATOM 48 CA LYS A 48 270.088 279.047 278.979 1.00 0.00 C +ATOM 49 CA GLU A 49 269.016 278.045 282.495 1.00 0.00 C +ATOM 50 CA GLU A 50 270.595 275.978 285.279 1.00 0.00 C +ATOM 51 CA LYS A 51 271.240 273.280 287.890 1.00 0.00 C +ATOM 52 CA GLU A 52 273.972 272.683 290.478 1.00 0.00 C +TER 53 GLU A 52 +END diff --git a/Mammals/Q3THD5/Q3THD5.dcd b/Mammals/Q3THD5/Q3THD5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..14b6f26159919324825d5edd83b4aa2fe598a4f4 --- /dev/null +++ b/Mammals/Q3THD5/Q3THD5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:80e936aaf55e75eeb68efdd36f7fde909e3b53bceb224a8d8925fe78a2ba528e +size 7160276 diff --git a/Mammals/Q3THD5/top.pdb b/Mammals/Q3THD5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..153ee90e7ccda81b1eec499b7e3b72c9e21f7709 --- /dev/null +++ b/Mammals/Q3THD5/top.pdb @@ -0,0 +1,57 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 249.738 259.587 264.978 1.00 0.00 C +ATOM 2 CA SER A 2 250.065 262.426 267.498 1.00 0.00 C +ATOM 3 CA LYS A 3 249.455 265.775 265.786 1.00 0.00 C +ATOM 4 CA ARG A 4 246.203 267.626 266.501 1.00 0.00 C +ATOM 5 CA HIS A 5 242.942 269.512 267.071 1.00 0.00 C +ATOM 6 CA ARG A 6 240.068 269.576 269.572 1.00 0.00 C +ATOM 7 CA LEU A 7 241.036 271.513 272.707 1.00 0.00 C +ATOM 8 CA ASP A 8 238.722 274.538 272.796 1.00 0.00 C +ATOM 9 CA LEU A 9 235.270 273.220 271.867 1.00 0.00 C +ATOM 10 CA GLY A 10 231.481 273.404 271.511 1.00 0.00 C +ATOM 11 CA GLU A 11 230.361 270.158 269.858 1.00 0.00 C +ATOM 12 CA ASP A 12 230.427 266.842 267.983 1.00 0.00 C +ATOM 13 CA TYR A 13 227.597 267.115 265.447 1.00 0.00 C +ATOM 14 CA PRO A 14 227.692 266.650 261.666 1.00 0.00 C +ATOM 15 CA SER A 15 229.708 268.686 259.155 1.00 0.00 C +ATOM 16 CA GLY A 16 231.763 268.177 255.987 1.00 0.00 C +ATOM 17 CA LYS A 17 232.882 269.818 252.736 1.00 0.00 C +ATOM 18 CA LYS A 18 235.147 269.718 249.674 1.00 0.00 C +ATOM 19 CA ARG A 19 238.406 267.765 249.385 1.00 0.00 C +ATOM 20 CA ALA A 20 239.789 265.938 252.428 1.00 0.00 C +ATOM 21 CA GLY A 21 238.945 262.425 253.640 1.00 0.00 C +ATOM 22 CA THR A 22 240.824 259.901 251.492 1.00 0.00 C +ATOM 23 CA ASP A 23 238.467 257.002 250.746 1.00 0.00 C +ATOM 24 CA GLY A 24 235.915 256.588 247.948 1.00 0.00 C +ATOM 25 CA LYS A 25 237.035 254.389 245.045 1.00 0.00 C +ATOM 26 CA ASP A 26 237.503 250.752 246.079 1.00 0.00 C +ATOM 27 CA ARG A 27 239.214 248.720 243.348 1.00 0.00 C +ATOM 28 CA GLU A 28 238.899 249.523 239.637 1.00 0.00 C +ATOM 29 CA ARG A 29 240.862 246.870 237.733 1.00 0.00 C +ATOM 30 CA ASP A 30 244.360 245.491 238.346 1.00 0.00 C +ATOM 31 CA ARG A 31 245.940 244.618 241.701 1.00 0.00 C +ATOM 32 CA ASP A 32 245.946 241.002 242.901 1.00 0.00 C +ATOM 33 CA ARG A 33 248.315 238.891 240.792 1.00 0.00 C +ATOM 34 CA GLU A 34 248.100 235.772 238.614 1.00 0.00 C +ATOM 35 CA ASP A 35 250.999 233.627 237.385 1.00 0.00 C +ATOM 36 CA ARG A 36 253.063 231.637 234.875 1.00 0.00 C +ATOM 37 CA SER A 37 254.116 228.368 236.524 1.00 0.00 C +ATOM 38 CA LYS A 38 257.807 228.149 237.442 1.00 0.00 C +ATOM 39 CA ASP A 39 259.717 230.195 240.027 1.00 0.00 C +ATOM 40 CA ARG A 40 260.173 228.418 243.367 1.00 0.00 C +ATOM 41 CA ASP A 41 263.378 226.852 244.706 1.00 0.00 C +ATOM 42 CA ARG A 42 265.065 228.748 247.548 1.00 0.00 C +ATOM 43 CA GLU A 43 268.291 226.960 248.504 1.00 0.00 C +ATOM 44 CA ARG A 44 271.936 227.345 247.464 1.00 0.00 C +ATOM 45 CA ASP A 45 273.694 226.101 244.322 1.00 0.00 C +ATOM 46 CA ARG A 46 274.509 226.841 240.674 1.00 0.00 C +ATOM 47 CA GLY A 47 276.071 228.732 237.759 1.00 0.00 C +ATOM 48 CA ASP A 48 274.516 231.763 236.052 1.00 0.00 C +ATOM 49 CA ARG A 49 277.093 234.560 235.820 1.00 0.00 C +ATOM 50 CA GLU A 50 280.170 236.281 234.378 1.00 0.00 C +ATOM 51 CA ARG A 51 283.721 237.182 235.425 1.00 0.00 C +ATOM 52 CA GLU A 52 287.283 238.320 236.158 1.00 0.00 C +ATOM 53 CA ARG A 53 289.321 239.937 238.941 1.00 0.00 C +TER 54 ARG A 53 +END diff --git a/Mammals/Q3TM10/Q3TM10.dcd b/Mammals/Q3TM10/Q3TM10.dcd new file mode 100644 index 0000000000000000000000000000000000000000..1d19b4b88c9dfd990d71d1d68c3526be2d23c5f8 --- /dev/null +++ b/Mammals/Q3TM10/Q3TM10.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e0269b90cc9577288cc51ea2df2842dc223dc96299736cfa39863cd74a915065 +size 23600276 diff --git a/Mammals/Q3TM10/top.pdb b/Mammals/Q3TM10/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4e6bb66fc114553006ec07cdb5cbc4ec1b7c26a8 --- /dev/null +++ b/Mammals/Q3TM10/top.pdb @@ -0,0 +1,194 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 219.759 222.880 204.274 1.00 0.00 C +ATOM 2 CA PHE A 2 217.633 223.609 207.350 1.00 0.00 C +ATOM 3 CA GLN A 3 215.716 221.085 209.465 1.00 0.00 C +ATOM 4 CA GLY A 4 215.850 217.436 210.553 1.00 0.00 C +ATOM 5 CA ALA A 5 213.004 216.241 212.787 1.00 0.00 C +ATOM 6 CA ASP A 6 210.363 218.556 214.262 1.00 0.00 C +ATOM 7 CA SER A 7 207.279 218.326 216.487 1.00 0.00 C +ATOM 8 CA GLN A 8 203.896 220.063 216.719 1.00 0.00 C +ATOM 9 CA ALA A 9 201.296 222.082 218.638 1.00 0.00 C +ATOM 10 CA GLY A 10 200.993 220.565 222.119 1.00 0.00 C +ATOM 11 CA LYS A 11 198.509 221.273 224.920 1.00 0.00 C +ATOM 12 CA SER A 12 198.738 224.813 226.310 1.00 0.00 C +ATOM 13 CA GLY A 13 200.137 225.251 229.827 1.00 0.00 C +ATOM 14 CA SER A 14 201.709 227.764 232.220 1.00 0.00 C +ATOM 15 CA ARG A 15 203.295 230.430 234.431 1.00 0.00 C +ATOM 16 CA SER A 16 203.652 228.741 237.827 1.00 0.00 C +ATOM 17 CA MET A 17 201.373 227.778 240.724 1.00 0.00 C +ATOM 18 CA LYS A 18 201.448 230.798 243.045 1.00 0.00 C +ATOM 19 CA PRO A 19 204.749 232.590 242.407 1.00 0.00 C +ATOM 20 CA PRO A 20 208.481 233.000 241.758 1.00 0.00 C +ATOM 21 CA GLY A 21 210.559 234.686 244.470 1.00 0.00 C +ATOM 22 CA GLY A 22 212.479 234.964 247.749 1.00 0.00 C +ATOM 23 CA GLU A 23 211.692 233.120 250.989 1.00 0.00 C +ATOM 24 CA SER A 24 211.070 233.838 254.679 1.00 0.00 C +ATOM 25 CA SER A 25 212.244 233.613 258.296 1.00 0.00 C +ATOM 26 CA ASP A 26 215.551 233.802 260.179 1.00 0.00 C +ATOM 27 CA LEU A 27 217.475 230.773 261.459 1.00 0.00 C +ATOM 28 CA PHE A 28 220.235 229.012 259.512 1.00 0.00 C +ATOM 29 CA GLY A 29 222.258 226.510 257.470 1.00 0.00 C +ATOM 30 CA SER A 30 225.101 224.014 257.022 1.00 0.00 C +ATOM 31 CA PRO A 31 227.963 221.650 256.163 1.00 0.00 C +ATOM 32 CA GLU A 32 228.592 219.087 253.415 1.00 0.00 C +ATOM 33 CA GLU A 33 230.549 220.932 250.716 1.00 0.00 C +ATOM 34 CA GLY A 34 234.304 220.688 251.311 1.00 0.00 C +ATOM 35 CA ILE A 35 236.753 217.791 251.674 1.00 0.00 C +ATOM 36 CA SER A 36 237.652 217.420 255.358 1.00 0.00 C +ATOM 37 CA SER A 37 240.154 214.810 256.560 1.00 0.00 C +ATOM 38 CA SER A 38 241.988 211.730 257.851 1.00 0.00 C +ATOM 39 CA LYS A 39 244.131 208.950 259.332 1.00 0.00 C +ATOM 40 CA PRO A 40 246.649 206.177 260.030 1.00 0.00 C +ATOM 41 CA ASN A 41 249.485 206.071 257.488 1.00 0.00 C +ATOM 42 CA ARG A 42 252.820 206.848 259.158 1.00 0.00 C +ATOM 43 CA MET A 43 255.002 203.779 259.742 1.00 0.00 C +ATOM 44 CA ALA A 44 258.449 203.986 261.351 1.00 0.00 C +ATOM 45 CA SER A 45 261.220 203.757 258.746 1.00 0.00 C +ATOM 46 CA ASN A 46 262.560 206.420 256.374 1.00 0.00 C +ATOM 47 CA ILE A 47 265.469 207.034 253.991 1.00 0.00 C +ATOM 48 CA PHE A 48 268.471 209.336 253.539 1.00 0.00 C +ATOM 49 CA GLY A 49 269.215 212.915 254.613 1.00 0.00 C +ATOM 50 CA PRO A 50 270.055 216.585 254.029 1.00 0.00 C +ATOM 51 CA THR A 51 267.162 218.763 252.846 1.00 0.00 C +ATOM 52 CA GLU A 52 263.366 218.506 253.047 1.00 0.00 C +ATOM 53 CA GLU A 53 259.892 217.412 251.931 1.00 0.00 C +ATOM 54 CA PRO A 54 256.748 219.553 251.703 1.00 0.00 C +ATOM 55 CA LYS A 55 255.584 222.932 250.381 1.00 0.00 C +ATOM 56 CA ASN A 56 255.333 225.493 253.191 1.00 0.00 C +ATOM 57 CA ILE A 57 256.258 224.590 256.775 1.00 0.00 C +ATOM 58 CA PRO A 58 259.352 224.347 258.984 1.00 0.00 C +ATOM 59 CA LYS A 59 261.758 221.511 258.153 1.00 0.00 C +ATOM 60 CA ARG A 60 265.501 220.934 258.562 1.00 0.00 C +ATOM 61 CA THR A 61 267.951 223.358 256.937 1.00 0.00 C +ATOM 62 CA ASN A 62 269.014 225.842 254.251 1.00 0.00 C +ATOM 63 CA PRO A 63 268.923 228.741 251.780 1.00 0.00 C +ATOM 64 CA PRO A 64 271.335 231.300 250.313 1.00 0.00 C +ATOM 65 CA GLY A 65 269.317 234.280 249.065 1.00 0.00 C +ATOM 66 CA GLY A 66 267.003 237.307 249.039 1.00 0.00 C +ATOM 67 CA LYS A 67 264.155 236.491 251.433 1.00 0.00 C +ATOM 68 CA GLY A 68 260.848 234.627 251.105 1.00 0.00 C +ATOM 69 CA SER A 69 257.126 234.716 251.917 1.00 0.00 C +ATOM 70 CA GLY A 70 253.955 236.507 250.798 1.00 0.00 C +ATOM 71 CA ILE A 71 251.740 238.207 253.390 1.00 0.00 C +ATOM 72 CA PHE A 72 251.444 242.005 253.452 1.00 0.00 C +ATOM 73 CA ASP A 73 253.963 244.463 254.911 1.00 0.00 C +ATOM 74 CA GLU A 74 257.447 245.893 255.492 1.00 0.00 C +ATOM 75 CA SER A 75 259.338 244.056 258.243 1.00 0.00 C +ATOM 76 CA THR A 76 262.825 245.353 259.064 1.00 0.00 C +ATOM 77 CA PRO A 77 262.473 246.853 262.548 1.00 0.00 C +ATOM 78 CA VAL A 78 263.335 250.461 263.417 1.00 0.00 C +ATOM 79 CA GLN A 79 264.194 251.760 266.894 1.00 0.00 C +ATOM 80 CA THR A 80 262.703 252.805 270.242 1.00 0.00 C +ATOM 81 CA ARG A 81 260.653 252.384 273.425 1.00 0.00 C +ATOM 82 CA GLN A 82 262.256 254.574 276.099 1.00 0.00 C +ATOM 83 CA ARG A 83 264.021 257.950 276.013 1.00 0.00 C +ATOM 84 CA LEU A 84 264.134 261.755 275.858 1.00 0.00 C +ATOM 85 CA ASN A 85 266.805 262.540 273.256 1.00 0.00 C +ATOM 86 CA PRO A 86 266.180 260.060 270.433 1.00 0.00 C +ATOM 87 CA PRO A 87 264.807 260.966 266.996 1.00 0.00 C +ATOM 88 CA GLY A 88 264.528 259.412 263.528 1.00 0.00 C +ATOM 89 CA GLY A 89 262.009 256.555 263.481 1.00 0.00 C +ATOM 90 CA LYS A 90 258.654 255.293 262.188 1.00 0.00 C +ATOM 91 CA THR A 91 255.067 254.104 262.677 1.00 0.00 C +ATOM 92 CA SER A 92 252.310 256.726 262.873 1.00 0.00 C +ATOM 93 CA ASP A 93 252.133 259.742 265.195 1.00 0.00 C +ATOM 94 CA ILE A 94 250.502 262.107 267.698 1.00 0.00 C +ATOM 95 CA PHE A 95 252.039 264.771 269.947 1.00 0.00 C +ATOM 96 CA GLY A 96 254.144 263.427 272.824 1.00 0.00 C +ATOM 97 CA SER A 97 255.412 260.033 271.645 1.00 0.00 C +ATOM 98 CA PRO A 98 257.573 257.642 273.679 1.00 0.00 C +ATOM 99 CA VAL A 99 255.333 255.317 275.703 1.00 0.00 C +ATOM 100 CA THR A 100 256.149 255.905 279.378 1.00 0.00 C +ATOM 101 CA ALA A 101 256.658 257.729 282.684 1.00 0.00 C +ATOM 102 CA THR A 102 257.752 261.376 282.814 1.00 0.00 C +ATOM 103 CA ALA A 103 256.326 264.882 282.382 1.00 0.00 C +ATOM 104 CA PRO A 104 255.861 266.909 279.189 1.00 0.00 C +ATOM 105 CA LEU A 105 259.207 268.404 278.148 1.00 0.00 C +ATOM 106 CA ALA A 106 262.828 268.295 279.331 1.00 0.00 C +ATOM 107 CA HIS A 107 265.925 269.374 277.392 1.00 0.00 C +ATOM 108 CA PRO A 108 268.134 271.608 279.546 1.00 0.00 C +ATOM 109 CA ASN A 109 270.231 274.410 281.052 1.00 0.00 C +ATOM 110 CA LYS A 110 273.849 273.876 279.983 1.00 0.00 C +ATOM 111 CA PRO A 111 276.811 272.848 277.820 1.00 0.00 C +ATOM 112 CA LYS A 112 275.531 270.531 275.079 1.00 0.00 C +ATOM 113 CA ASP A 113 274.368 267.225 273.585 1.00 0.00 C +ATOM 114 CA HIS A 114 271.200 268.145 271.678 1.00 0.00 C +ATOM 115 CA VAL A 115 269.352 266.351 268.871 1.00 0.00 C +ATOM 116 CA LEU A 116 269.261 267.891 265.388 1.00 0.00 C +ATOM 117 CA LEU A 117 267.397 270.202 263.000 1.00 0.00 C +ATOM 118 CA CYS A 118 268.201 271.208 259.414 1.00 0.00 C +ATOM 119 CA GLU A 119 265.945 270.908 256.358 1.00 0.00 C +ATOM 120 CA GLY A 120 266.293 270.214 252.629 1.00 0.00 C +ATOM 121 CA GLU A 121 267.662 268.928 249.314 1.00 0.00 C +ATOM 122 CA ASP A 122 269.235 271.808 247.378 1.00 0.00 C +ATOM 123 CA SER A 123 271.556 274.639 246.323 1.00 0.00 C +ATOM 124 CA LYS A 124 272.484 278.246 245.522 1.00 0.00 C +ATOM 125 CA SER A 125 272.819 281.732 247.023 1.00 0.00 C +ATOM 126 CA ASP A 126 272.974 281.895 250.826 1.00 0.00 C +ATOM 127 CA LEU A 127 275.150 279.868 253.208 1.00 0.00 C +ATOM 128 CA LYS A 128 278.779 279.815 252.048 1.00 0.00 C +ATOM 129 CA ALA A 129 279.698 278.083 248.781 1.00 0.00 C +ATOM 130 CA ALA A 130 278.641 274.431 248.531 1.00 0.00 C +ATOM 131 CA THR A 131 279.976 271.032 247.443 1.00 0.00 C +ATOM 132 CA ASP A 132 281.896 268.246 245.692 1.00 0.00 C +ATOM 133 CA SER A 133 280.780 265.110 243.838 1.00 0.00 C +ATOM 134 CA THR A 134 278.894 261.942 242.880 1.00 0.00 C +ATOM 135 CA PRO A 135 276.355 260.671 245.420 1.00 0.00 C +ATOM 136 CA ARG A 136 272.758 261.163 244.262 1.00 0.00 C +ATOM 137 CA GLY A 137 271.052 258.593 242.027 1.00 0.00 C +ATOM 138 CA GLU A 138 271.038 256.990 238.570 1.00 0.00 C +ATOM 139 CA GLN A 139 271.128 253.594 236.846 1.00 0.00 C +ATOM 140 CA SER A 140 271.997 250.245 238.441 1.00 0.00 C +ATOM 141 CA ASP A 141 271.145 250.508 242.146 1.00 0.00 C +ATOM 142 CA LYS A 142 267.727 251.392 243.576 1.00 0.00 C +ATOM 143 CA GLY A 143 265.506 251.675 246.660 1.00 0.00 C +ATOM 144 CA SER A 144 262.099 251.767 248.361 1.00 0.00 C +ATOM 145 CA SER A 145 259.691 253.833 250.470 1.00 0.00 C +ATOM 146 CA LYS A 146 260.340 257.138 252.251 1.00 0.00 C +ATOM 147 CA GLU A 147 258.819 257.331 255.739 1.00 0.00 C +ATOM 148 CA VAL A 148 260.565 260.142 257.627 1.00 0.00 C +ATOM 149 CA GLU A 149 262.512 263.282 258.557 1.00 0.00 C +ATOM 150 CA HIS A 150 262.712 266.011 261.208 1.00 0.00 C +ATOM 151 CA ALA A 151 260.850 266.534 264.491 1.00 0.00 C +ATOM 152 CA LYS A 152 257.405 265.205 265.430 1.00 0.00 C +ATOM 153 CA ILE A 153 255.072 264.607 262.478 1.00 0.00 C +ATOM 154 CA PRO A 154 255.732 267.297 259.862 1.00 0.00 C +ATOM 155 CA GLU A 155 255.075 271.049 259.776 1.00 0.00 C +ATOM 156 CA PRO A 156 256.260 274.469 258.585 1.00 0.00 C +ATOM 157 CA THR A 157 255.601 275.143 254.893 1.00 0.00 C +ATOM 158 CA PRO A 158 255.943 277.379 251.828 1.00 0.00 C +ATOM 159 CA THR A 159 256.586 281.093 251.270 1.00 0.00 C +ATOM 160 CA VAL A 160 253.320 282.982 250.735 1.00 0.00 C +ATOM 161 CA ASP A 161 253.283 286.776 251.081 1.00 0.00 C +ATOM 162 CA SER A 162 251.293 289.073 248.783 1.00 0.00 C +ATOM 163 CA HIS A 163 251.876 290.691 245.383 1.00 0.00 C +ATOM 164 CA GLU A 164 254.686 288.989 243.453 1.00 0.00 C +ATOM 165 CA PRO A 165 254.587 285.190 243.724 1.00 0.00 C +ATOM 166 CA ARG A 166 252.306 283.293 241.333 1.00 0.00 C +ATOM 167 CA LEU A 167 249.899 282.901 238.406 1.00 0.00 C +ATOM 168 CA GLY A 168 248.973 283.022 234.712 1.00 0.00 C +ATOM 169 CA PRO A 169 245.899 285.267 234.564 1.00 0.00 C +ATOM 170 CA ARG A 170 242.412 283.738 234.407 1.00 0.00 C +ATOM 171 CA PRO A 171 239.118 281.831 234.566 1.00 0.00 C +ATOM 172 CA ARG A 172 236.410 279.756 232.869 1.00 0.00 C +ATOM 173 CA SER A 173 235.208 277.681 229.909 1.00 0.00 C +ATOM 174 CA HIS A 174 231.963 278.241 227.993 1.00 0.00 C +ATOM 175 CA ASN A 175 232.964 279.349 224.487 1.00 0.00 C +ATOM 176 CA LYS A 176 231.311 277.057 221.932 1.00 0.00 C +ATOM 177 CA VAL A 177 228.801 278.567 219.495 1.00 0.00 C +ATOM 178 CA LEU A 178 227.019 277.066 216.481 1.00 0.00 C +ATOM 179 CA ASN A 179 228.828 276.315 213.213 1.00 0.00 C +ATOM 180 CA PRO A 180 231.848 274.012 213.521 1.00 0.00 C +ATOM 181 CA PRO A 181 234.309 271.224 212.697 1.00 0.00 C +ATOM 182 CA GLY A 182 232.895 267.819 211.736 1.00 0.00 C +ATOM 183 CA GLY A 183 233.470 264.090 211.202 1.00 0.00 C +ATOM 184 CA LYS A 184 231.350 261.043 212.060 1.00 0.00 C +ATOM 185 CA SER A 185 233.079 257.926 213.406 1.00 0.00 C +ATOM 186 CA SER A 186 236.209 258.981 215.305 1.00 0.00 C +ATOM 187 CA LEU A 187 239.136 261.290 216.093 1.00 0.00 C +ATOM 188 CA SER A 188 241.597 261.713 218.971 1.00 0.00 C +ATOM 189 CA PHE A 189 244.416 259.260 219.709 1.00 0.00 C +ATOM 190 CA TYR A 190 243.116 255.678 219.699 1.00 0.00 C +TER 191 TYR A 190 +END diff --git a/Mammals/Q3TM46/Q3TM46.dcd b/Mammals/Q3TM46/Q3TM46.dcd new file mode 100644 index 0000000000000000000000000000000000000000..41671a7572ba1c1e8ef95c2df27ab67618d6ead8 --- /dev/null +++ b/Mammals/Q3TM46/Q3TM46.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2b08ab43106efb5d548ca86c4de16f9665ca31f487591e2a8b673a40d4108804 +size 6680276 diff --git a/Mammals/Q3TM46/top.pdb b/Mammals/Q3TM46/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8259c7e96d0ffb24ca7d09b3dc1dad61b5c3de15 --- /dev/null +++ b/Mammals/Q3TM46/top.pdb @@ -0,0 +1,53 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLY A 1 228.790 245.964 247.656 1.00 0.00 C +ATOM 2 CA ARG A 2 228.019 248.523 250.372 1.00 0.00 C +ATOM 3 CA PRO A 3 226.607 251.700 251.931 1.00 0.00 C +ATOM 4 CA LEU A 4 225.605 254.863 250.057 1.00 0.00 C +ATOM 5 CA ASP A 5 228.023 257.731 250.722 1.00 0.00 C +ATOM 6 CA PRO A 6 228.931 261.350 251.496 1.00 0.00 C +ATOM 7 CA ARG A 7 231.696 263.184 253.369 1.00 0.00 C +ATOM 8 CA LEU A 8 234.254 266.006 253.255 1.00 0.00 C +ATOM 9 CA GLY A 9 236.810 268.753 252.595 1.00 0.00 C +ATOM 10 CA PRO A 10 235.865 272.436 252.354 1.00 0.00 C +ATOM 11 CA GLN A 11 234.017 273.563 255.489 1.00 0.00 C +ATOM 12 CA PRO A 12 230.798 272.764 257.364 1.00 0.00 C +ATOM 13 CA VAL A 13 231.267 274.055 260.918 1.00 0.00 C +ATOM 14 CA GLY A 14 233.197 274.318 264.193 1.00 0.00 C +ATOM 15 CA HIS A 15 235.884 271.922 265.439 1.00 0.00 C +ATOM 16 CA SER A 16 236.160 269.033 262.970 1.00 0.00 C +ATOM 17 CA GLU A 17 238.070 269.612 259.725 1.00 0.00 C +ATOM 18 CA LYS A 18 241.452 270.409 258.161 1.00 0.00 C +ATOM 19 CA GLY A 19 245.213 269.836 258.359 1.00 0.00 C +ATOM 20 CA LYS A 20 248.388 271.706 259.329 1.00 0.00 C +ATOM 21 CA ASP A 21 251.607 270.832 261.170 1.00 0.00 C +ATOM 22 CA GLN A 22 253.033 267.299 261.132 1.00 0.00 C +ATOM 23 CA ASN A 23 253.768 264.093 263.054 1.00 0.00 C +ATOM 24 CA VAL A 24 252.513 261.078 261.091 1.00 0.00 C +ATOM 25 CA GLU A 25 254.442 257.885 260.317 1.00 0.00 C +ATOM 26 CA ASP A 26 257.159 255.712 261.869 1.00 0.00 C +ATOM 27 CA ARG A 27 256.518 251.960 261.701 1.00 0.00 C +ATOM 28 CA GLY A 28 255.756 249.294 259.089 1.00 0.00 C +ATOM 29 CA HIS A 29 257.779 249.911 255.920 1.00 0.00 C +ATOM 30 CA LYS A 30 258.783 251.119 252.449 1.00 0.00 C +ATOM 31 CA VAL A 31 257.735 252.562 249.082 1.00 0.00 C +ATOM 32 CA ASP A 32 258.649 250.329 246.133 1.00 0.00 C +ATOM 33 CA MET A 33 260.557 247.179 245.156 1.00 0.00 C +ATOM 34 CA GLU A 34 260.926 243.570 243.993 1.00 0.00 C +ATOM 35 CA THR A 35 263.775 241.470 242.583 1.00 0.00 C +ATOM 36 CA LYS A 36 265.404 238.368 241.086 1.00 0.00 C +ATOM 37 CA LYS A 37 267.088 235.471 239.273 1.00 0.00 C +ATOM 38 CA SER A 38 265.741 231.929 238.874 1.00 0.00 C +ATOM 39 CA GLU A 39 265.700 228.151 238.386 1.00 0.00 C +ATOM 40 CA PRO A 40 266.994 224.902 239.897 1.00 0.00 C +ATOM 41 CA VAL A 41 267.434 221.159 240.456 1.00 0.00 C +ATOM 42 CA VAL A 42 264.097 219.664 241.527 1.00 0.00 C +ATOM 43 CA ARG A 43 263.080 216.116 240.581 1.00 0.00 C +ATOM 44 CA LYS A 44 261.447 216.478 237.158 1.00 0.00 C +ATOM 45 CA VAL A 45 261.151 218.742 234.107 1.00 0.00 C +ATOM 46 CA THR A 46 262.947 217.118 231.166 1.00 0.00 C +ATOM 47 CA LEU A 47 265.382 219.793 229.966 1.00 0.00 C +ATOM 48 CA ILE A 48 269.170 219.828 229.566 1.00 0.00 C +ATOM 49 CA GLU A 49 272.318 220.262 227.463 1.00 0.00 C +TER 50 GLU A 49 +END diff --git a/Mammals/Q3TM55/Q3TM55.dcd b/Mammals/Q3TM55/Q3TM55.dcd new file mode 100644 index 0000000000000000000000000000000000000000..4021b228a8fac2abfe9f94c15561a0d2b16411c2 --- /dev/null +++ b/Mammals/Q3TM55/Q3TM55.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:18bb8f94cf7f132af8d4f7362cd79e0d48c026682bfb3d03e5a875d034ce44fa +size 9080276 diff --git a/Mammals/Q3TM55/top.pdb b/Mammals/Q3TM55/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..85811f7b56648fec9c027d3b1aabfed8f02af94b --- /dev/null +++ b/Mammals/Q3TM55/top.pdb @@ -0,0 +1,73 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 225.802 249.888 265.164 1.00 0.00 C +ATOM 2 CA ASP A 2 228.354 247.352 266.419 1.00 0.00 C +ATOM 3 CA THR A 3 231.088 244.931 267.503 1.00 0.00 C +ATOM 4 CA LYS A 4 232.489 241.695 268.947 1.00 0.00 C +ATOM 5 CA GLU A 5 232.528 242.089 272.736 1.00 0.00 C +ATOM 6 CA GLU A 6 233.180 239.079 274.979 1.00 0.00 C +ATOM 7 CA LYS A 7 231.313 235.766 274.742 1.00 0.00 C +ATOM 8 CA LYS A 8 233.092 233.167 272.599 1.00 0.00 C +ATOM 9 CA GLU A 9 235.028 231.019 275.080 1.00 0.00 C +ATOM 10 CA GLN A 10 237.120 229.145 277.655 1.00 0.00 C +ATOM 11 CA LYS A 11 236.617 229.291 281.429 1.00 0.00 C +ATOM 12 CA GLU A 12 239.585 230.742 283.327 1.00 0.00 C +ATOM 13 CA ARG A 13 241.192 233.366 281.081 1.00 0.00 C +ATOM 14 CA LYS A 14 243.622 231.888 278.545 1.00 0.00 C +ATOM 15 CA GLN A 15 244.526 228.386 279.743 1.00 0.00 C +ATOM 16 CA SER A 16 244.470 224.696 280.690 1.00 0.00 C +ATOM 17 CA TYR A 17 241.670 222.915 278.818 1.00 0.00 C +ATOM 18 CA PHE A 18 242.478 221.705 275.297 1.00 0.00 C +ATOM 19 CA ALA A 19 245.339 222.486 272.905 1.00 0.00 C +ATOM 20 CA ARG A 20 248.632 221.422 271.311 1.00 0.00 C +ATOM 21 CA LEU A 21 251.452 219.334 269.827 1.00 0.00 C +ATOM 22 CA LYS A 22 254.396 217.550 268.193 1.00 0.00 C +ATOM 23 CA LYS A 23 255.258 215.511 265.093 1.00 0.00 C +ATOM 24 CA LYS A 24 253.098 214.945 262.006 1.00 0.00 C +ATOM 25 CA LYS A 25 252.359 214.317 258.321 1.00 0.00 C +ATOM 26 CA GLN A 26 250.125 214.153 255.239 1.00 0.00 C +ATOM 27 CA ALA A 27 251.016 212.970 251.729 1.00 0.00 C +ATOM 28 CA LYS A 28 253.308 215.622 250.237 1.00 0.00 C +ATOM 29 CA GLN A 29 255.065 218.907 251.036 1.00 0.00 C +ATOM 30 CA ASN A 30 255.033 222.506 249.786 1.00 0.00 C +ATOM 31 CA ALA A 31 252.086 224.492 251.159 1.00 0.00 C +ATOM 32 CA GLU A 32 252.031 228.191 252.068 1.00 0.00 C +ATOM 33 CA ILE A 33 251.730 231.602 250.397 1.00 0.00 C +ATOM 34 CA VAL A 34 253.069 234.365 248.141 1.00 0.00 C +ATOM 35 CA SER A 35 254.050 238.021 247.708 1.00 0.00 C +ATOM 36 CA ALA A 36 254.873 241.453 246.274 1.00 0.00 C +ATOM 37 CA ALA A 37 255.737 244.768 244.605 1.00 0.00 C +ATOM 38 CA SER A 38 256.233 247.180 241.698 1.00 0.00 C +ATOM 39 CA SER A 39 256.541 250.819 242.782 1.00 0.00 C +ATOM 40 CA LYS A 40 257.990 251.170 246.288 1.00 0.00 C +ATOM 41 CA SER A 41 257.328 254.737 247.452 1.00 0.00 C +ATOM 42 CA ARG A 42 259.707 256.989 249.398 1.00 0.00 C +ATOM 43 CA SER A 43 259.466 257.090 253.199 1.00 0.00 C +ATOM 44 CA GLY A 44 260.271 260.683 254.178 1.00 0.00 C +ATOM 45 CA LYS A 45 258.342 263.959 253.921 1.00 0.00 C +ATOM 46 CA ASP A 46 255.602 265.286 251.631 1.00 0.00 C +ATOM 47 CA ASP A 47 255.525 268.627 249.801 1.00 0.00 C +ATOM 48 CA ALA A 48 256.225 271.986 248.145 1.00 0.00 C +ATOM 49 CA ASN A 49 256.240 275.258 246.193 1.00 0.00 C +ATOM 50 CA SER A 50 255.146 276.175 242.661 1.00 0.00 C +ATOM 51 CA ASP A 51 253.854 274.924 239.302 1.00 0.00 C +ATOM 52 CA ILE A 52 253.468 275.773 235.608 1.00 0.00 C +ATOM 53 CA LEU A 53 250.567 277.039 233.487 1.00 0.00 C +ATOM 54 CA GLU A 54 251.082 279.772 230.883 1.00 0.00 C +ATOM 55 CA GLN A 55 250.810 279.038 227.154 1.00 0.00 C +ATOM 56 CA ASP A 56 252.166 278.275 223.676 1.00 0.00 C +ATOM 57 CA LYS A 57 253.518 275.742 221.172 1.00 0.00 C +ATOM 58 CA PHE A 58 254.923 275.424 217.645 1.00 0.00 C +ATOM 59 CA ASN A 59 253.185 276.198 214.344 1.00 0.00 C +ATOM 60 CA VAL A 60 253.499 278.751 211.533 1.00 0.00 C +ATOM 61 CA THR A 61 254.161 282.156 209.957 1.00 0.00 C +ATOM 62 CA ALA A 62 252.245 284.696 212.053 1.00 0.00 C +ATOM 63 CA GLU A 63 253.360 287.936 213.719 1.00 0.00 C +ATOM 64 CA GLY A 64 253.479 289.122 217.338 1.00 0.00 C +ATOM 65 CA ASP A 65 256.524 291.231 218.229 1.00 0.00 C +ATOM 66 CA HIS A 66 260.051 291.751 216.883 1.00 0.00 C +ATOM 67 CA SER A 67 263.371 293.618 216.967 1.00 0.00 C +ATOM 68 CA THR A 68 266.417 293.621 219.254 1.00 0.00 C +ATOM 69 CA ASP A 69 265.896 295.236 222.665 1.00 0.00 C +TER 70 ASP A 69 +END diff --git a/Mammals/Q3TMM2/Q3TMM2.dcd b/Mammals/Q3TMM2/Q3TMM2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..cfc6739052533ab04a3b7448174ea87bd3481cd0 --- /dev/null +++ b/Mammals/Q3TMM2/Q3TMM2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e5131cf569682b4f40c46a27a6fd9fe117db9e7a4d08d397f107b0e06c88072f +size 6560276 diff --git a/Mammals/Q3TMM2/top.pdb b/Mammals/Q3TMM2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..48435851460cfefce67c177af223810f74fedcfb --- /dev/null +++ b/Mammals/Q3TMM2/top.pdb @@ -0,0 +1,52 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA SER A 1 222.539 252.586 253.960 1.00 0.00 C +ATOM 2 CA TYR A 2 225.217 255.205 254.653 1.00 0.00 C +ATOM 3 CA GLY A 3 228.862 254.657 253.687 1.00 0.00 C +ATOM 4 CA ASP A 4 230.943 257.812 254.169 1.00 0.00 C +ATOM 5 CA ASN A 5 234.350 257.267 252.554 1.00 0.00 C +ATOM 6 CA ILE A 6 236.725 255.188 254.687 1.00 0.00 C +ATOM 7 CA GLY A 7 238.222 253.541 257.779 1.00 0.00 C +ATOM 8 CA GLY A 8 238.460 250.274 259.725 1.00 0.00 C +ATOM 9 CA GLY A 9 240.844 248.612 262.188 1.00 0.00 C +ATOM 10 CA GLN A 10 241.998 249.148 265.779 1.00 0.00 C +ATOM 11 CA ILE A 11 245.497 249.794 267.143 1.00 0.00 C +ATOM 12 CA TYR A 12 248.343 250.243 264.651 1.00 0.00 C +ATOM 13 CA SER A 13 251.833 250.053 263.134 1.00 0.00 C +ATOM 14 CA PRO A 14 253.982 248.258 260.551 1.00 0.00 C +ATOM 15 CA ARG A 15 252.127 245.813 258.293 1.00 0.00 C +ATOM 16 CA GLU A 16 249.111 243.923 256.934 1.00 0.00 C +ATOM 17 CA ILE A 17 245.771 244.981 255.436 1.00 0.00 C +ATOM 18 CA ARG A 18 246.300 248.432 253.911 1.00 0.00 C +ATOM 19 CA ALA A 19 248.936 250.997 254.905 1.00 0.00 C +ATOM 20 CA ASN A 20 248.299 251.834 258.567 1.00 0.00 C +ATOM 21 CA GLY A 21 249.801 255.292 259.120 1.00 0.00 C +ATOM 22 CA GLY A 22 248.872 257.422 256.100 1.00 0.00 C +ATOM 23 CA TRP A 23 250.596 259.922 253.801 1.00 0.00 C +ATOM 24 CA GLN A 24 248.926 263.304 254.340 1.00 0.00 C +ATOM 25 CA GLU A 25 248.848 265.235 251.057 1.00 0.00 C +ATOM 26 CA ALA A 26 249.658 268.840 250.125 1.00 0.00 C +ATOM 27 CA VAL A 27 252.415 269.058 247.505 1.00 0.00 C +ATOM 28 CA THR A 28 254.038 268.189 244.169 1.00 0.00 C +ATOM 29 CA PRO A 29 254.040 264.533 243.099 1.00 0.00 C +ATOM 30 CA SER A 30 256.143 261.384 242.680 1.00 0.00 C +ATOM 31 CA SER A 31 259.719 260.396 243.550 1.00 0.00 C +ATOM 32 CA VAL A 32 261.765 257.585 245.107 1.00 0.00 C +ATOM 33 CA THR A 33 264.896 255.771 246.298 1.00 0.00 C +ATOM 34 CA SER A 34 264.597 251.985 246.609 1.00 0.00 C +ATOM 35 CA PRO A 35 263.887 248.784 248.549 1.00 0.00 C +ATOM 36 CA THR A 36 261.350 246.262 247.241 1.00 0.00 C +ATOM 37 CA GLU A 37 258.867 244.210 245.205 1.00 0.00 C +ATOM 38 CA GLY A 38 255.717 242.117 244.746 1.00 0.00 C +ATOM 39 CA PRO A 39 255.146 238.684 246.295 1.00 0.00 C +ATOM 40 CA GLY A 40 252.222 236.333 245.629 1.00 0.00 C +ATOM 41 CA SER A 41 250.400 235.727 242.339 1.00 0.00 C +ATOM 42 CA VAL A 42 251.142 234.497 238.810 1.00 0.00 C +ATOM 43 CA HIS A 43 253.333 231.798 237.250 1.00 0.00 C +ATOM 44 CA SER A 44 256.329 231.473 234.919 1.00 0.00 C +ATOM 45 CA ASP A 45 259.908 232.639 234.329 1.00 0.00 C +ATOM 46 CA THR A 46 260.447 234.282 230.933 1.00 0.00 C +ATOM 47 CA SER A 47 262.676 233.464 227.954 1.00 0.00 C +ATOM 48 CA ASN A 48 265.902 232.196 229.535 1.00 0.00 C +TER 49 ASN A 48 +END diff --git a/Mammals/Q3TMT8/Q3TMT8.dcd b/Mammals/Q3TMT8/Q3TMT8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..6aec312567de43812c585a36c661ae9b9946a425 --- /dev/null +++ b/Mammals/Q3TMT8/Q3TMT8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:620c1f9011438ade47bd320c4e3b44b5b52bfb6a487318af9a666a470b2b8b9e +size 12560276 diff --git a/Mammals/Q3TMT8/top.pdb b/Mammals/Q3TMT8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1b920deb88dae5412065bf3ca5504bead5e48c31 --- /dev/null +++ b/Mammals/Q3TMT8/top.pdb @@ -0,0 +1,102 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 267.748 276.494 260.086 1.00 0.00 C +ATOM 2 CA PRO A 2 269.832 276.610 263.274 1.00 0.00 C +ATOM 3 CA ARG A 3 271.701 274.017 265.348 1.00 0.00 C +ATOM 4 CA ALA A 4 270.341 270.480 265.742 1.00 0.00 C +ATOM 5 CA GLU A 5 267.511 268.328 267.112 1.00 0.00 C +ATOM 6 CA GLN A 6 265.310 270.516 269.322 1.00 0.00 C +ATOM 7 CA ARG A 7 264.028 273.109 271.801 1.00 0.00 C +ATOM 8 CA SER A 8 260.860 271.612 273.298 1.00 0.00 C +ATOM 9 CA ARG A 9 258.739 273.129 276.076 1.00 0.00 C +ATOM 10 CA LEU A 10 257.524 273.415 279.676 1.00 0.00 C +ATOM 11 CA PRO A 11 255.429 270.518 280.993 1.00 0.00 C +ATOM 12 CA HIS A 12 253.044 268.953 278.467 1.00 0.00 C +ATOM 13 CA GLY A 13 251.585 265.434 278.378 1.00 0.00 C +ATOM 14 CA ALA A 14 248.168 265.380 280.061 1.00 0.00 C +ATOM 15 CA PHE A 15 246.018 268.364 281.057 1.00 0.00 C +ATOM 16 CA GLY A 16 243.960 271.506 281.699 1.00 0.00 C +ATOM 17 CA ARG A 17 243.020 272.900 278.280 1.00 0.00 C +ATOM 18 CA SER A 18 240.490 271.307 275.918 1.00 0.00 C +ATOM 19 CA LYS A 19 239.093 270.757 272.417 1.00 0.00 C +ATOM 20 CA ASN A 20 240.571 268.975 269.390 1.00 0.00 C +ATOM 21 CA ASN A 21 239.540 265.308 269.444 1.00 0.00 C +ATOM 22 CA GLU A 22 241.556 262.076 269.523 1.00 0.00 C +ATOM 23 CA ALA A 23 241.825 258.310 270.040 1.00 0.00 C +ATOM 24 CA ALA A 24 243.291 257.200 273.377 1.00 0.00 C +ATOM 25 CA PRO A 25 242.783 253.426 273.500 1.00 0.00 C +ATOM 26 CA ARG A 26 240.839 251.377 276.056 1.00 0.00 C +ATOM 27 CA PRO A 27 240.012 248.061 274.372 1.00 0.00 C +ATOM 28 CA LEU A 28 242.052 247.591 271.189 1.00 0.00 C +ATOM 29 CA ALA A 29 245.674 246.409 271.179 1.00 0.00 C +ATOM 30 CA LEU A 30 245.780 242.927 269.636 1.00 0.00 C +ATOM 31 CA GLY A 31 245.451 239.975 267.250 1.00 0.00 C +ATOM 32 CA SER A 32 245.889 236.785 265.213 1.00 0.00 C +ATOM 33 CA ALA A 33 243.623 236.249 262.198 1.00 0.00 C +ATOM 34 CA HIS A 34 244.705 232.924 260.685 1.00 0.00 C +ATOM 35 CA PRO A 35 246.066 230.226 258.364 1.00 0.00 C +ATOM 36 CA VAL A 36 247.950 227.560 256.400 1.00 0.00 C +ATOM 37 CA ALA A 37 250.556 225.069 255.168 1.00 0.00 C +ATOM 38 CA GLN A 38 252.159 221.850 256.427 1.00 0.00 C +ATOM 39 CA GLY A 39 254.109 218.579 256.315 1.00 0.00 C +ATOM 40 CA ASN A 40 254.643 216.345 253.275 1.00 0.00 C +ATOM 41 CA LYS A 41 253.855 215.564 249.630 1.00 0.00 C +ATOM 42 CA ARG A 42 251.643 213.160 247.670 1.00 0.00 C +ATOM 43 CA ARG A 43 248.128 211.898 246.915 1.00 0.00 C +ATOM 44 CA HIS A 44 246.618 211.066 243.517 1.00 0.00 C +ATOM 45 CA PHE A 45 244.691 214.015 242.065 1.00 0.00 C +ATOM 46 CA PRO A 46 245.196 217.690 242.936 1.00 0.00 C +ATOM 47 CA ALA A 47 243.275 220.203 245.059 1.00 0.00 C +ATOM 48 CA ALA A 48 243.890 223.456 246.944 1.00 0.00 C +ATOM 49 CA PRO A 49 245.709 225.329 249.719 1.00 0.00 C +ATOM 50 CA SER A 50 248.304 228.094 250.096 1.00 0.00 C +ATOM 51 CA ARG A 51 249.988 228.535 246.708 1.00 0.00 C +ATOM 52 CA ALA A 52 253.670 228.743 245.749 1.00 0.00 C +ATOM 53 CA PRO A 53 255.350 227.737 242.481 1.00 0.00 C +ATOM 54 CA GLY A 54 255.054 229.146 238.953 1.00 0.00 C +ATOM 55 CA ALA A 55 252.386 231.855 238.716 1.00 0.00 C +ATOM 56 CA ALA A 56 248.855 233.267 238.952 1.00 0.00 C +ATOM 57 CA ARG A 57 246.318 235.857 237.783 1.00 0.00 C +ATOM 58 CA THR A 58 243.655 238.362 238.856 1.00 0.00 C +ATOM 59 CA PRO A 59 242.931 241.004 241.504 1.00 0.00 C +ATOM 60 CA SER A 60 239.387 241.164 242.895 1.00 0.00 C +ATOM 61 CA ARG A 61 236.930 243.762 241.580 1.00 0.00 C +ATOM 62 CA ALA A 62 236.229 246.147 238.692 1.00 0.00 C +ATOM 63 CA ARG A 63 235.590 249.796 239.581 1.00 0.00 C +ATOM 64 CA SER A 64 236.513 253.484 239.826 1.00 0.00 C +ATOM 65 CA ALA A 65 238.701 254.698 242.698 1.00 0.00 C +ATOM 66 CA GLY A 66 241.983 252.795 243.054 1.00 0.00 C +ATOM 67 CA GLY A 67 242.217 250.577 239.966 1.00 0.00 C +ATOM 68 CA ARG A 68 245.891 249.942 239.184 1.00 0.00 C +ATOM 69 CA ALA A 69 248.310 247.272 237.944 1.00 0.00 C +ATOM 70 CA GLN A 70 251.764 247.453 236.345 1.00 0.00 C +ATOM 71 CA ARG A 71 254.219 245.259 238.262 1.00 0.00 C +ATOM 72 CA LEU A 72 256.278 245.741 241.432 1.00 0.00 C +ATOM 73 CA GLY A 73 258.617 248.065 243.342 1.00 0.00 C +ATOM 74 CA SER A 74 257.530 251.494 244.597 1.00 0.00 C +ATOM 75 CA PRO A 75 254.651 253.988 244.693 1.00 0.00 C +ATOM 76 CA PRO A 76 253.792 256.459 241.923 1.00 0.00 C +ATOM 77 CA PRO A 77 254.375 256.709 238.166 1.00 0.00 C +ATOM 78 CA ALA A 78 252.156 256.113 235.127 1.00 0.00 C +ATOM 79 CA GLY A 79 252.884 258.801 232.527 1.00 0.00 C +ATOM 80 CA ALA A 80 252.206 262.372 233.671 1.00 0.00 C +ATOM 81 CA ALA A 81 254.787 265.094 234.334 1.00 0.00 C +ATOM 82 CA ALA A 82 257.232 266.257 231.653 1.00 0.00 C +ATOM 83 CA PRO A 83 260.882 265.283 232.147 1.00 0.00 C +ATOM 84 CA GLY A 84 262.999 268.196 230.903 1.00 0.00 C +ATOM 85 CA PRO A 85 262.595 268.880 227.177 1.00 0.00 C +ATOM 86 CA PRO A 86 259.830 271.294 226.155 1.00 0.00 C +ATOM 87 CA ARG A 87 258.358 271.690 222.663 1.00 0.00 C +ATOM 88 CA VAL A 88 257.239 268.210 221.587 1.00 0.00 C +ATOM 89 CA PRO A 89 255.129 265.191 220.614 1.00 0.00 C +ATOM 90 CA GLU A 90 256.384 262.375 218.375 1.00 0.00 C +ATOM 91 CA ALA A 91 255.676 258.714 217.596 1.00 0.00 C +ATOM 92 CA ALA A 92 253.027 255.987 217.856 1.00 0.00 C +ATOM 93 CA ALA A 93 250.075 255.596 220.232 1.00 0.00 C +ATOM 94 CA TRP A 94 246.846 255.683 222.254 1.00 0.00 C +ATOM 95 CA GLY A 95 243.826 257.014 224.156 1.00 0.00 C +ATOM 96 CA CYS A 96 241.304 255.551 226.609 1.00 0.00 C +ATOM 97 CA ALA A 97 239.710 252.290 227.765 1.00 0.00 C +ATOM 98 CA LEU A 98 240.888 249.572 230.161 1.00 0.00 C +TER 99 LEU A 98 +END diff --git a/Mammals/Q3TNU2/Q3TNU2.dcd b/Mammals/Q3TNU2/Q3TNU2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..5e7f6ad0470211298d6c556b201a21bbccf65622 --- /dev/null +++ b/Mammals/Q3TNU2/Q3TNU2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ea96337ef217edfceb291b85ea8e221e3fd4ca4c051886378377f33f0d4cb357 +size 7400276 diff --git a/Mammals/Q3TNU2/top.pdb b/Mammals/Q3TNU2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..56832e85c617a84ee629d98e56c42945e4746090 --- /dev/null +++ b/Mammals/Q3TNU2/top.pdb @@ -0,0 +1,59 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLY A 1 251.894 231.875 251.202 1.00 0.00 C +ATOM 2 CA GLY A 2 250.274 229.356 253.557 1.00 0.00 C +ATOM 3 CA GLY A 3 246.532 229.537 254.252 1.00 0.00 C +ATOM 4 CA GLY A 4 244.229 232.309 255.490 1.00 0.00 C +ATOM 5 CA ARG A 5 241.845 234.570 257.419 1.00 0.00 C +ATOM 6 CA ARG A 6 243.995 237.418 258.753 1.00 0.00 C +ATOM 7 CA ARG A 7 247.608 238.089 259.759 1.00 0.00 C +ATOM 8 CA ASP A 8 249.945 240.758 261.148 1.00 0.00 C +ATOM 9 CA SER A 9 251.839 239.995 264.365 1.00 0.00 C +ATOM 10 CA TYR A 10 255.507 239.015 264.046 1.00 0.00 C +ATOM 11 CA TYR A 11 257.497 241.334 266.321 1.00 0.00 C +ATOM 12 CA ASP A 12 258.348 244.827 267.582 1.00 0.00 C +ATOM 13 CA ARG A 13 259.653 245.469 271.104 1.00 0.00 C +ATOM 14 CA GLY A 14 262.825 247.233 272.264 1.00 0.00 C +ATOM 15 CA TYR A 15 262.155 250.842 273.285 1.00 0.00 C +ATOM 16 CA ASP A 16 260.821 252.631 276.374 1.00 0.00 C +ATOM 17 CA ARG A 17 257.304 253.956 276.997 1.00 0.00 C +ATOM 18 CA GLY A 18 254.166 251.875 276.415 1.00 0.00 C +ATOM 19 CA TYR A 19 250.959 249.818 276.361 1.00 0.00 C +ATOM 20 CA ASP A 20 250.148 247.389 273.540 1.00 0.00 C +ATOM 21 CA ARG A 21 250.324 247.652 269.743 1.00 0.00 C +ATOM 22 CA TYR A 22 252.645 250.400 268.487 1.00 0.00 C +ATOM 23 CA GLU A 23 256.391 250.316 269.175 1.00 0.00 C +ATOM 24 CA ASP A 24 258.433 251.939 266.398 1.00 0.00 C +ATOM 25 CA TYR A 25 257.126 253.451 263.154 1.00 0.00 C +ATOM 26 CA ASP A 26 256.140 255.172 259.901 1.00 0.00 C +ATOM 27 CA TYR A 27 259.064 256.646 257.954 1.00 0.00 C +ATOM 28 CA ARG A 28 258.537 257.855 254.380 1.00 0.00 C +ATOM 29 CA TYR A 29 257.144 260.257 251.771 1.00 0.00 C +ATOM 30 CA ARG A 30 257.810 260.395 248.022 1.00 0.00 C +ATOM 31 CA ARG A 31 258.236 259.750 244.291 1.00 0.00 C +ATOM 32 CA ARG A 32 256.482 261.609 241.466 1.00 0.00 C +ATOM 33 CA SER A 33 253.848 260.874 238.813 1.00 0.00 C +ATOM 34 CA PRO A 34 254.680 260.977 235.096 1.00 0.00 C +ATOM 35 CA SER A 35 255.006 259.658 231.537 1.00 0.00 C +ATOM 36 CA PRO A 36 253.749 256.187 230.594 1.00 0.00 C +ATOM 37 CA TYR A 37 254.547 253.874 227.673 1.00 0.00 C +ATOM 38 CA TYR A 38 253.800 250.322 228.831 1.00 0.00 C +ATOM 39 CA SER A 39 250.703 248.107 228.714 1.00 0.00 C +ATOM 40 CA ARG A 40 247.675 249.124 230.792 1.00 0.00 C +ATOM 41 CA TYR A 41 248.099 252.336 232.796 1.00 0.00 C +ATOM 42 CA ARG A 42 246.282 255.394 234.161 1.00 0.00 C +ATOM 43 CA SER A 43 245.196 258.958 233.364 1.00 0.00 C +ATOM 44 CA ARG A 44 246.453 262.089 235.135 1.00 0.00 C +ATOM 45 CA SER A 45 243.573 264.543 235.583 1.00 0.00 C +ATOM 46 CA ARG A 46 240.133 262.961 236.004 1.00 0.00 C +ATOM 47 CA SER A 47 238.283 259.936 234.610 1.00 0.00 C +ATOM 48 CA ARG A 48 239.246 256.739 232.775 1.00 0.00 C +ATOM 49 CA SER A 49 236.105 255.758 230.854 1.00 0.00 C +ATOM 50 CA TYR A 50 233.530 252.952 230.724 1.00 0.00 C +ATOM 51 CA SER A 51 232.241 249.422 231.346 1.00 0.00 C +ATOM 52 CA PRO A 52 231.039 245.962 230.297 1.00 0.00 C +ATOM 53 CA ARG A 53 233.228 242.916 230.970 1.00 0.00 C +ATOM 54 CA ARG A 54 236.963 242.444 231.554 1.00 0.00 C +ATOM 55 CA TYR A 55 239.744 244.731 232.800 1.00 0.00 C +TER 56 TYR A 55 +END diff --git a/Mammals/Q3TP48/Q3TP48.dcd b/Mammals/Q3TP48/Q3TP48.dcd new file mode 100644 index 0000000000000000000000000000000000000000..773952d550bb43236fb18ca2d153bce19be686d4 --- /dev/null +++ b/Mammals/Q3TP48/Q3TP48.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d00f4358faa19cfd9d4e7aeeca9688fcd152524cd39285b7d140c74dc2e6228c +size 18320276 diff --git a/Mammals/Q3TP48/top.pdb b/Mammals/Q3TP48/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c5a6fcd48367add1bfe19f2a648f2dac74cdb628 --- /dev/null +++ b/Mammals/Q3TP48/top.pdb @@ -0,0 +1,150 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 207.116 256.810 286.167 1.00 0.00 C +ATOM 2 CA SER A 2 205.841 255.699 282.753 1.00 0.00 C +ATOM 3 CA ASN A 3 203.487 256.099 279.783 1.00 0.00 C +ATOM 4 CA ARG A 4 201.639 257.928 276.998 1.00 0.00 C +ATOM 5 CA PRO A 5 203.768 257.281 273.905 1.00 0.00 C +ATOM 6 CA ASN A 6 203.750 253.667 272.698 1.00 0.00 C +ATOM 7 CA ASN A 7 206.835 252.304 270.927 1.00 0.00 C +ATOM 8 CA ASN A 8 210.304 250.937 271.709 1.00 0.00 C +ATOM 9 CA PRO A 9 213.081 251.815 274.166 1.00 0.00 C +ATOM 10 CA GLY A 10 215.748 253.572 276.242 1.00 0.00 C +ATOM 11 CA GLY A 11 219.432 254.191 276.992 1.00 0.00 C +ATOM 12 CA SER A 12 222.066 251.983 275.348 1.00 0.00 C +ATOM 13 CA LEU A 13 223.128 248.888 277.301 1.00 0.00 C +ATOM 14 CA ARG A 14 221.076 245.771 276.535 1.00 0.00 C +ATOM 15 CA ARG A 15 218.554 244.300 274.087 1.00 0.00 C +ATOM 16 CA SER A 16 215.393 242.780 275.575 1.00 0.00 C +ATOM 17 CA GLN A 17 212.425 243.213 273.226 1.00 0.00 C +ATOM 18 CA ARG A 18 208.965 244.635 273.953 1.00 0.00 C +ATOM 19 CA ASN A 19 206.971 247.324 275.772 1.00 0.00 C +ATOM 20 CA THR A 20 208.064 247.654 279.407 1.00 0.00 C +ATOM 21 CA ALA A 21 210.337 245.865 281.887 1.00 0.00 C +ATOM 22 CA GLY A 22 213.816 247.354 282.322 1.00 0.00 C +ATOM 23 CA ALA A 23 215.995 247.950 285.389 1.00 0.00 C +ATOM 24 CA GLN A 24 216.322 251.740 285.606 1.00 0.00 C +ATOM 25 CA PRO A 25 218.579 253.345 288.223 1.00 0.00 C +ATOM 26 CA GLN A 26 222.077 253.423 286.715 1.00 0.00 C +ATOM 27 CA ASP A 27 223.998 250.133 286.695 1.00 0.00 C +ATOM 28 CA ASP A 28 227.541 248.888 286.052 1.00 0.00 C +ATOM 29 CA SER A 29 229.887 251.029 288.158 1.00 0.00 C +ATOM 30 CA ILE A 30 231.423 253.966 286.279 1.00 0.00 C +ATOM 31 CA GLY A 31 229.244 257.080 286.023 1.00 0.00 C +ATOM 32 CA GLY A 32 231.205 259.791 284.200 1.00 0.00 C +ATOM 33 CA ARG A 33 231.232 259.142 280.446 1.00 0.00 C +ATOM 34 CA SER A 34 231.522 257.220 277.169 1.00 0.00 C +ATOM 35 CA CYS A 35 231.562 258.474 273.572 1.00 0.00 C +ATOM 36 CA SER A 36 229.381 261.590 273.345 1.00 0.00 C +ATOM 37 CA SER A 37 226.501 264.007 273.956 1.00 0.00 C +ATOM 38 CA SER A 38 222.845 264.938 273.422 1.00 0.00 C +ATOM 39 CA SER A 39 221.788 268.189 271.739 1.00 0.00 C +ATOM 40 CA ALA A 40 222.101 268.975 268.024 1.00 0.00 C +ATOM 41 CA VAL A 41 225.561 269.861 266.698 1.00 0.00 C +ATOM 42 CA ILE A 42 228.727 269.689 268.810 1.00 0.00 C +ATOM 43 CA VAL A 43 231.918 270.844 267.079 1.00 0.00 C +ATOM 44 CA PRO A 44 235.617 271.475 267.739 1.00 0.00 C +ATOM 45 CA GLN A 45 238.435 273.693 269.026 1.00 0.00 C +ATOM 46 CA PRO A 46 240.222 277.040 269.372 1.00 0.00 C +ATOM 47 CA GLU A 47 240.194 279.649 266.596 1.00 0.00 C +ATOM 48 CA ASP A 48 242.928 282.020 265.405 1.00 0.00 C +ATOM 49 CA PRO A 49 244.747 283.056 262.221 1.00 0.00 C +ATOM 50 CA ASP A 50 243.873 286.728 261.704 1.00 0.00 C +ATOM 51 CA ARG A 51 242.387 288.042 258.452 1.00 0.00 C +ATOM 52 CA ALA A 52 244.581 288.290 255.346 1.00 0.00 C +ATOM 53 CA ASN A 53 246.739 286.059 253.137 1.00 0.00 C +ATOM 54 CA THR A 54 245.396 285.070 249.712 1.00 0.00 C +ATOM 55 CA SER A 55 246.681 285.765 246.193 1.00 0.00 C +ATOM 56 CA GLU A 56 249.456 286.353 243.649 1.00 0.00 C +ATOM 57 CA ARG A 57 251.334 284.155 241.167 1.00 0.00 C +ATOM 58 CA GLN A 58 251.015 285.313 237.551 1.00 0.00 C +ATOM 59 CA LYS A 59 252.223 282.486 235.299 1.00 0.00 C +ATOM 60 CA THR A 60 251.633 278.784 234.621 1.00 0.00 C +ATOM 61 CA GLY A 61 248.894 276.267 235.445 1.00 0.00 C +ATOM 62 CA GLN A 62 247.613 277.307 238.879 1.00 0.00 C +ATOM 63 CA VAL A 63 250.009 276.507 241.732 1.00 0.00 C +ATOM 64 CA PRO A 64 253.091 275.072 243.451 1.00 0.00 C +ATOM 65 CA LYS A 65 256.336 275.656 241.540 1.00 0.00 C +ATOM 66 CA LYS A 66 259.104 275.187 238.965 1.00 0.00 C +ATOM 67 CA ASP A 67 259.119 271.846 237.133 1.00 0.00 C +ATOM 68 CA ASN A 68 258.025 268.209 236.829 1.00 0.00 C +ATOM 69 CA SER A 69 257.081 266.321 240.000 1.00 0.00 C +ATOM 70 CA ARG A 70 257.170 263.886 242.929 1.00 0.00 C +ATOM 71 CA GLY A 71 258.377 260.478 244.130 1.00 0.00 C +ATOM 72 CA VAL A 72 258.056 257.114 242.370 1.00 0.00 C +ATOM 73 CA LYS A 73 259.112 255.642 239.018 1.00 0.00 C +ATOM 74 CA ARG A 74 256.270 254.083 237.017 1.00 0.00 C +ATOM 75 CA SER A 75 253.166 256.270 236.705 1.00 0.00 C +ATOM 76 CA ALA A 76 250.594 257.301 239.320 1.00 0.00 C +ATOM 77 CA SER A 77 248.598 260.153 237.772 1.00 0.00 C +ATOM 78 CA PRO A 78 246.922 262.857 235.675 1.00 0.00 C +ATOM 79 CA ASP A 79 247.573 264.068 232.121 1.00 0.00 C +ATOM 80 CA TYR A 80 250.795 262.746 230.577 1.00 0.00 C +ATOM 81 CA ASN A 81 252.121 260.609 227.715 1.00 0.00 C +ATOM 82 CA ARG A 82 255.184 258.354 227.495 1.00 0.00 C +ATOM 83 CA THR A 83 253.851 254.844 226.852 1.00 0.00 C +ATOM 84 CA ASN A 84 254.066 251.670 224.754 1.00 0.00 C +ATOM 85 CA SER A 85 256.153 248.523 224.247 1.00 0.00 C +ATOM 86 CA PRO A 86 258.647 245.676 224.679 1.00 0.00 C +ATOM 87 CA SER A 87 261.639 245.763 222.321 1.00 0.00 C +ATOM 88 CA SER A 88 261.201 246.722 218.660 1.00 0.00 C +ATOM 89 CA ALA A 89 262.881 250.081 218.024 1.00 0.00 C +ATOM 90 CA LYS A 90 263.429 253.203 220.138 1.00 0.00 C +ATOM 91 CA LYS A 91 263.707 254.367 223.756 1.00 0.00 C +ATOM 92 CA PRO A 92 264.185 256.601 226.805 1.00 0.00 C +ATOM 93 CA ARG A 93 261.515 256.954 229.500 1.00 0.00 C +ATOM 94 CA ALA A 94 262.586 255.289 232.756 1.00 0.00 C +ATOM 95 CA PHE A 95 265.683 253.103 232.378 1.00 0.00 C +ATOM 96 CA GLN A 96 269.369 252.158 232.576 1.00 0.00 C +ATOM 97 CA HIS A 97 272.320 250.386 230.944 1.00 0.00 C +ATOM 98 CA ILE A 98 275.884 250.454 229.599 1.00 0.00 C +ATOM 99 CA GLU A 99 276.437 247.923 226.805 1.00 0.00 C +ATOM 100 CA SER A 100 277.356 244.401 227.931 1.00 0.00 C +ATOM 101 CA PHE A 101 280.978 244.377 229.113 1.00 0.00 C +ATOM 102 CA SER A 102 282.894 246.944 227.050 1.00 0.00 C +ATOM 103 CA GLU A 103 282.284 250.576 228.027 1.00 0.00 C +ATOM 104 CA THR A 104 283.199 252.796 230.985 1.00 0.00 C +ATOM 105 CA ASN A 105 280.634 253.478 233.719 1.00 0.00 C +ATOM 106 CA LYS A 106 280.606 255.521 236.934 1.00 0.00 C +ATOM 107 CA PRO A 107 279.761 253.439 240.012 1.00 0.00 C +ATOM 108 CA HIS A 108 277.577 251.274 242.261 1.00 0.00 C +ATOM 109 CA SER A 109 276.322 249.027 245.070 1.00 0.00 C +ATOM 110 CA LYS A 110 277.427 245.506 244.124 1.00 0.00 C +ATOM 111 CA SER A 111 278.538 242.072 242.903 1.00 0.00 C +ATOM 112 CA LYS A 112 276.478 240.618 240.046 1.00 0.00 C +ATOM 113 CA LYS A 113 278.453 241.228 236.845 1.00 0.00 C +ATOM 114 CA ARG A 114 278.104 238.947 233.813 1.00 0.00 C +ATOM 115 CA HIS A 115 278.350 235.231 233.010 1.00 0.00 C +ATOM 116 CA LEU A 116 278.513 231.661 231.688 1.00 0.00 C +ATOM 117 CA ASP A 117 281.742 229.750 232.350 1.00 0.00 C +ATOM 118 CA GLN A 118 284.415 228.155 230.153 1.00 0.00 C +ATOM 119 CA GLU A 119 288.006 227.577 229.018 1.00 0.00 C +ATOM 120 CA GLN A 120 290.164 227.460 232.156 1.00 0.00 C +ATOM 121 CA GLN A 121 288.572 228.806 235.344 1.00 0.00 C +ATOM 122 CA LEU A 122 285.788 227.473 237.578 1.00 0.00 C +ATOM 123 CA LYS A 123 282.518 225.527 237.390 1.00 0.00 C +ATOM 124 CA SER A 124 278.737 225.962 237.559 1.00 0.00 C +ATOM 125 CA ALA A 125 275.831 224.632 239.634 1.00 0.00 C +ATOM 126 CA GLN A 126 272.753 223.851 237.529 1.00 0.00 C +ATOM 127 CA LEU A 127 269.225 225.285 237.397 1.00 0.00 C +ATOM 128 CA PRO A 128 265.644 225.452 236.109 1.00 0.00 C +ATOM 129 CA SER A 129 262.918 224.611 238.634 1.00 0.00 C +ATOM 130 CA THR A 130 262.225 220.880 238.289 1.00 0.00 C +ATOM 131 CA SER A 131 263.738 217.622 237.021 1.00 0.00 C +ATOM 132 CA LYS A 132 261.540 214.729 238.169 1.00 0.00 C +ATOM 133 CA ALA A 133 262.112 212.319 241.063 1.00 0.00 C +ATOM 134 CA HIS A 134 264.830 209.699 241.578 1.00 0.00 C +ATOM 135 CA THR A 135 267.716 208.632 239.332 1.00 0.00 C +ATOM 136 CA ARG A 136 270.455 206.207 238.267 1.00 0.00 C +ATOM 137 CA LYS A 137 270.314 203.329 235.774 1.00 0.00 C +ATOM 138 CA SER A 138 268.379 200.343 234.411 1.00 0.00 C +ATOM 139 CA VAL A 139 265.212 198.606 235.622 1.00 0.00 C +ATOM 140 CA ALA A 140 262.735 198.709 238.515 1.00 0.00 C +ATOM 141 CA ALA A 141 260.722 198.884 241.746 1.00 0.00 C +ATOM 142 CA GLY A 142 262.824 201.087 244.036 1.00 0.00 C +ATOM 143 CA SER A 143 264.697 203.447 246.368 1.00 0.00 C +ATOM 144 CA SER A 144 264.543 205.953 249.233 1.00 0.00 C +ATOM 145 CA ARG A 145 260.857 206.123 250.182 1.00 0.00 C +ATOM 146 CA ASN A 146 257.886 207.823 251.855 1.00 0.00 C +TER 147 ASN A 146 +END diff --git a/Mammals/Q3TP53/Q3TP53.dcd b/Mammals/Q3TP53/Q3TP53.dcd new file mode 100644 index 0000000000000000000000000000000000000000..fc05397b4d8509c435c29257d805fd5854c26353 --- /dev/null +++ b/Mammals/Q3TP53/Q3TP53.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c13e5579f2e3695cf001a4f12f6bcc55aa87054b55b8f9fe90642021896514d3 +size 21800276 diff --git a/Mammals/Q3TP53/top.pdb b/Mammals/Q3TP53/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e285c11753934c2675275555da8334b92c60a836 --- /dev/null +++ b/Mammals/Q3TP53/top.pdb @@ -0,0 +1,179 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ARG A 1 266.969 273.934 218.838 1.00 0.00 C +ATOM 2 CA GLU A 2 269.650 276.256 217.448 1.00 0.00 C +ATOM 3 CA GLN A 3 272.176 278.275 219.463 1.00 0.00 C +ATOM 4 CA GLU A 4 274.005 280.986 217.509 1.00 0.00 C +ATOM 5 CA TRP A 5 274.488 284.635 216.526 1.00 0.00 C +ATOM 6 CA ASP A 6 276.434 286.060 213.576 1.00 0.00 C +ATOM 7 CA SER A 7 279.610 287.480 212.023 1.00 0.00 C +ATOM 8 CA SER A 8 281.572 289.112 214.852 1.00 0.00 C +ATOM 9 CA SER A 9 284.164 291.305 216.581 1.00 0.00 C +ATOM 10 CA ASP A 10 284.642 291.996 220.298 1.00 0.00 C +ATOM 11 CA GLY A 11 282.534 289.395 222.116 1.00 0.00 C +ATOM 12 CA THR A 12 284.254 286.448 223.811 1.00 0.00 C +ATOM 13 CA GLU A 13 283.980 286.418 227.611 1.00 0.00 C +ATOM 14 CA ARG A 14 282.993 287.827 231.010 1.00 0.00 C +ATOM 15 CA LEU A 15 284.955 290.337 233.101 1.00 0.00 C +ATOM 16 CA PRO A 16 285.561 289.884 236.835 1.00 0.00 C +ATOM 17 CA GLU A 17 284.981 287.674 239.884 1.00 0.00 C +ATOM 18 CA GLU A 18 287.996 285.679 241.084 1.00 0.00 C +ATOM 19 CA GLU A 19 291.332 283.842 240.964 1.00 0.00 C +ATOM 20 CA GLU A 20 293.252 281.832 238.358 1.00 0.00 C +ATOM 21 CA ILE A 21 290.987 278.875 237.555 1.00 0.00 C +ATOM 22 CA GLY A 22 289.608 275.838 239.395 1.00 0.00 C +ATOM 23 CA PRO A 23 291.800 273.605 241.570 1.00 0.00 C +ATOM 24 CA PHE A 24 294.477 272.864 244.177 1.00 0.00 C +ATOM 25 CA SER A 25 294.923 269.321 245.504 1.00 0.00 C +ATOM 26 CA LYS A 26 293.100 267.612 248.381 1.00 0.00 C +ATOM 27 CA GLY A 27 289.600 266.909 247.052 1.00 0.00 C +ATOM 28 CA ILE A 28 289.868 265.027 243.750 1.00 0.00 C +ATOM 29 CA LYS A 29 292.037 264.689 240.635 1.00 0.00 C +ATOM 30 CA GLN A 30 292.965 261.557 238.674 1.00 0.00 C +ATOM 31 CA SER A 31 290.727 258.558 237.960 1.00 0.00 C +ATOM 32 CA LYS A 32 289.657 256.844 234.730 1.00 0.00 C +ATOM 33 CA THR A 33 288.780 254.249 232.081 1.00 0.00 C +ATOM 34 CA ASP A 34 290.160 253.002 228.756 1.00 0.00 C +ATOM 35 CA THR A 35 288.627 249.935 227.094 1.00 0.00 C +ATOM 36 CA ALA A 36 286.240 247.936 224.899 1.00 0.00 C +ATOM 37 CA GLY A 37 285.193 244.519 223.580 1.00 0.00 C +ATOM 38 CA GLY A 38 286.438 240.927 223.326 1.00 0.00 C +ATOM 39 CA GLU A 39 286.803 237.271 224.336 1.00 0.00 C +ATOM 40 CA LYS A 40 285.680 233.943 222.861 1.00 0.00 C +ATOM 41 CA LYS A 41 288.368 231.272 223.261 1.00 0.00 C +ATOM 42 CA GLY A 42 292.001 230.964 224.365 1.00 0.00 C +ATOM 43 CA LYS A 43 293.842 233.183 226.857 1.00 0.00 C +ATOM 44 CA LYS A 44 295.623 236.515 226.365 1.00 0.00 C +ATOM 45 CA TRP A 45 294.996 239.421 228.747 1.00 0.00 C +ATOM 46 CA LYS A 46 294.464 237.898 232.198 1.00 0.00 C +ATOM 47 CA ASP A 47 297.379 237.352 234.590 1.00 0.00 C +ATOM 48 CA LYS A 48 296.253 237.407 238.229 1.00 0.00 C +ATOM 49 CA SER A 49 297.784 234.410 240.015 1.00 0.00 C +ATOM 50 CA CYS A 50 296.185 233.945 243.441 1.00 0.00 C +ATOM 51 CA GLU A 51 293.438 234.290 246.059 1.00 0.00 C +ATOM 52 CA LYS A 52 291.033 232.570 248.462 1.00 0.00 C +ATOM 53 CA LYS A 53 288.752 230.415 246.301 1.00 0.00 C +ATOM 54 CA GLU A 54 285.818 228.046 245.758 1.00 0.00 C +ATOM 55 CA GLU A 55 283.905 227.597 242.493 1.00 0.00 C +ATOM 56 CA LEU A 56 283.930 224.132 240.908 1.00 0.00 C +ATOM 57 CA SER A 57 285.387 221.232 242.904 1.00 0.00 C +ATOM 58 CA ASP A 58 285.166 217.738 244.407 1.00 0.00 C +ATOM 59 CA SER A 59 282.144 215.654 245.424 1.00 0.00 C +ATOM 60 CA VAL A 60 278.668 216.310 246.842 1.00 0.00 C +ATOM 61 CA ASP A 61 276.889 219.672 247.050 1.00 0.00 C +ATOM 62 CA LYS A 62 274.536 221.901 249.053 1.00 0.00 C +ATOM 63 CA LEU A 63 272.691 223.651 251.890 1.00 0.00 C +ATOM 64 CA PRO A 64 270.998 225.938 254.425 1.00 0.00 C +ATOM 65 CA GLY A 65 268.023 224.172 256.021 1.00 0.00 C +ATOM 66 CA LYS A 66 265.066 226.538 255.602 1.00 0.00 C +ATOM 67 CA GLY A 67 262.053 225.931 257.854 1.00 0.00 C +ATOM 68 CA ASP A 68 258.324 226.103 257.090 1.00 0.00 C +ATOM 69 CA SER A 69 256.200 228.964 255.743 1.00 0.00 C +ATOM 70 CA CYS A 70 254.061 232.079 255.257 1.00 0.00 C +ATOM 71 CA ASP A 71 251.114 234.192 256.427 1.00 0.00 C +ATOM 72 CA SER A 72 249.270 236.625 258.706 1.00 0.00 C +ATOM 73 CA SER A 73 247.022 237.580 261.630 1.00 0.00 C +ATOM 74 CA GLU A 74 247.202 237.283 265.424 1.00 0.00 C +ATOM 75 CA ASP A 75 250.333 235.389 266.486 1.00 0.00 C +ATOM 76 CA LYS A 76 251.394 232.943 263.764 1.00 0.00 C +ATOM 77 CA LYS A 77 251.434 229.139 263.979 1.00 0.00 C +ATOM 78 CA THR A 78 254.636 227.193 264.670 1.00 0.00 C +ATOM 79 CA ARG A 79 258.243 228.413 264.527 1.00 0.00 C +ATOM 80 CA ASN A 80 260.279 230.431 262.018 1.00 0.00 C +ATOM 81 CA ARG A 81 261.146 233.826 260.521 1.00 0.00 C +ATOM 82 CA VAL A 82 259.546 237.283 260.483 1.00 0.00 C +ATOM 83 CA SER A 83 255.954 237.765 259.308 1.00 0.00 C +ATOM 84 CA LEU A 84 254.044 240.479 257.435 1.00 0.00 C +ATOM 85 CA ARG A 85 252.194 241.706 254.338 1.00 0.00 C +ATOM 86 CA GLU A 86 249.178 242.115 252.047 1.00 0.00 C +ATOM 87 CA LYS A 87 245.529 242.092 253.144 1.00 0.00 C +ATOM 88 CA LYS A 88 242.129 241.906 254.852 1.00 0.00 C +ATOM 89 CA ARG A 89 241.134 239.252 257.399 1.00 0.00 C +ATOM 90 CA PHE A 90 239.154 240.154 260.526 1.00 0.00 C +ATOM 91 CA SER A 91 237.380 243.123 262.124 1.00 0.00 C +ATOM 92 CA LEU A 92 234.717 245.535 263.392 1.00 0.00 C +ATOM 93 CA PRO A 93 232.243 248.268 264.352 1.00 0.00 C +ATOM 94 CA ALA A 94 231.273 251.789 265.440 1.00 0.00 C +ATOM 95 CA LYS A 95 228.431 252.654 267.826 1.00 0.00 C +ATOM 96 CA SER A 96 225.560 251.041 269.741 1.00 0.00 C +ATOM 97 CA PRO A 97 223.036 250.748 272.580 1.00 0.00 C +ATOM 98 CA GLY A 98 222.525 248.046 275.217 1.00 0.00 C +ATOM 99 CA LYS A 99 222.411 247.083 278.901 1.00 0.00 C +ATOM 100 CA ARG A 100 223.434 246.753 282.556 1.00 0.00 C +ATOM 101 CA PRO A 101 227.014 245.544 283.042 1.00 0.00 C +ATOM 102 CA GLU A 102 229.216 242.642 281.927 1.00 0.00 C +ATOM 103 CA CYS A 103 232.561 242.456 283.742 1.00 0.00 C +ATOM 104 CA SER A 104 234.013 244.264 286.765 1.00 0.00 C +ATOM 105 CA SER A 105 237.374 245.482 288.083 1.00 0.00 C +ATOM 106 CA SER A 106 240.178 245.525 285.504 1.00 0.00 C +ATOM 107 CA ASP A 107 241.004 245.134 281.805 1.00 0.00 C +ATOM 108 CA THR A 108 242.368 241.849 280.439 1.00 0.00 C +ATOM 109 CA GLU A 109 241.313 238.213 280.007 1.00 0.00 C +ATOM 110 CA LYS A 110 240.067 234.689 280.743 1.00 0.00 C +ATOM 111 CA SER A 111 237.665 232.933 278.364 1.00 0.00 C +ATOM 112 CA LEU A 112 234.264 233.897 276.941 1.00 0.00 C +ATOM 113 CA LYS A 113 233.250 237.437 277.919 1.00 0.00 C +ATOM 114 CA GLY A 114 233.006 240.970 276.514 1.00 0.00 C +ATOM 115 CA GLN A 115 230.719 243.770 275.312 1.00 0.00 C +ATOM 116 CA CYS A 116 227.465 242.122 274.213 1.00 0.00 C +ATOM 117 CA CYS A 117 223.984 241.746 272.710 1.00 0.00 C +ATOM 118 CA ASP A 118 220.770 240.958 274.597 1.00 0.00 C +ATOM 119 CA SER A 119 219.740 237.638 276.158 1.00 0.00 C +ATOM 120 CA THR A 120 218.586 234.069 276.823 1.00 0.00 C +ATOM 121 CA GLU A 121 216.912 231.352 274.742 1.00 0.00 C +ATOM 122 CA LYS A 122 213.425 232.454 273.671 1.00 0.00 C +ATOM 123 CA ARG A 123 212.154 235.430 275.682 1.00 0.00 C +ATOM 124 CA PRO A 124 212.036 235.086 279.475 1.00 0.00 C +ATOM 125 CA LYS A 125 212.012 237.273 282.595 1.00 0.00 C +ATOM 126 CA ARG A 126 214.454 240.155 282.103 1.00 0.00 C +ATOM 127 CA ILE A 127 212.537 243.408 281.593 1.00 0.00 C +ATOM 128 CA ASP A 128 210.805 246.548 280.306 1.00 0.00 C +ATOM 129 CA LEU A 129 207.845 245.706 278.060 1.00 0.00 C +ATOM 130 CA ARG A 130 209.126 243.447 275.273 1.00 0.00 C +ATOM 131 CA GLU A 131 206.964 243.475 272.136 1.00 0.00 C +ATOM 132 CA ARG A 132 208.251 244.328 268.653 1.00 0.00 C +ATOM 133 CA ARG A 133 210.288 241.958 266.473 1.00 0.00 C +ATOM 134 CA ASN A 134 212.243 242.697 263.287 1.00 0.00 C +ATOM 135 CA SER A 135 213.276 239.853 260.973 1.00 0.00 C +ATOM 136 CA SER A 136 216.496 239.315 259.008 1.00 0.00 C +ATOM 137 CA SER A 137 219.266 241.918 258.753 1.00 0.00 C +ATOM 138 CA LYS A 138 220.601 245.110 260.350 1.00 0.00 C +ATOM 139 CA ARG A 139 223.706 246.457 258.600 1.00 0.00 C +ATOM 140 CA ASN A 140 225.798 243.861 256.756 1.00 0.00 C +ATOM 141 CA THR A 141 223.847 242.846 253.645 1.00 0.00 C +ATOM 142 CA LYS A 142 224.556 244.045 250.099 1.00 0.00 C +ATOM 143 CA GLU A 143 227.536 242.818 248.065 1.00 0.00 C +ATOM 144 CA VAL A 144 230.106 245.205 246.579 1.00 0.00 C +ATOM 145 CA LYS A 145 232.118 248.228 247.732 1.00 0.00 C +ATOM 146 CA SER A 146 233.807 251.434 246.555 1.00 0.00 C +ATOM 147 CA ALA A 147 231.795 253.461 244.034 1.00 0.00 C +ATOM 148 CA SER A 148 231.030 257.163 243.559 1.00 0.00 C +ATOM 149 CA SER A 149 227.707 258.664 242.454 1.00 0.00 C +ATOM 150 CA SER A 150 226.114 258.228 239.021 1.00 0.00 C +ATOM 151 CA SER A 151 226.337 259.776 235.547 1.00 0.00 C +ATOM 152 CA ASP A 152 228.045 262.184 233.138 1.00 0.00 C +ATOM 153 CA ALA A 153 225.808 265.152 232.303 1.00 0.00 C +ATOM 154 CA GLU A 154 227.144 268.397 230.820 1.00 0.00 C +ATOM 155 CA GLY A 155 225.569 271.817 230.238 1.00 0.00 C +ATOM 156 CA SER A 156 222.887 274.180 228.920 1.00 0.00 C +ATOM 157 CA SER A 157 219.135 273.878 229.509 1.00 0.00 C +ATOM 158 CA GLU A 158 215.601 272.805 230.447 1.00 0.00 C +ATOM 159 CA ASP A 159 215.167 271.619 234.042 1.00 0.00 C +ATOM 160 CA ASN A 160 217.453 273.888 236.076 1.00 0.00 C +ATOM 161 CA LYS A 161 215.372 275.632 238.749 1.00 0.00 C +ATOM 162 CA LYS A 162 212.558 274.017 240.746 1.00 0.00 C +ATOM 163 CA GLN A 163 212.172 270.240 240.429 1.00 0.00 C +ATOM 164 CA LYS A 164 213.837 266.925 241.298 1.00 0.00 C +ATOM 165 CA LYS A 165 212.624 263.451 242.282 1.00 0.00 C +ATOM 166 CA GLN A 166 211.085 260.135 241.206 1.00 0.00 C +ATOM 167 CA ARG A 167 210.086 258.558 237.885 1.00 0.00 C +ATOM 168 CA THR A 168 211.068 260.069 234.528 1.00 0.00 C +ATOM 169 CA SER A 169 209.280 260.841 231.253 1.00 0.00 C +ATOM 170 CA ALA A 170 205.548 260.369 231.860 1.00 0.00 C +ATOM 171 CA LYS A 171 204.212 259.829 235.387 1.00 0.00 C +ATOM 172 CA LYS A 172 202.017 262.543 236.914 1.00 0.00 C +ATOM 173 CA LYS A 173 200.440 265.880 235.968 1.00 0.00 C +ATOM 174 CA THR A 174 201.569 267.248 232.596 1.00 0.00 C +ATOM 175 CA GLY A 175 204.478 268.338 230.391 1.00 0.00 C +TER 176 GLY A 175 +END diff --git a/Mammals/Q3TQD2/Q3TQD2.dcd b/Mammals/Q3TQD2/Q3TQD2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..dd840f72376b9b92a293f6ee1e65d43bf26df9b4 --- /dev/null +++ b/Mammals/Q3TQD2/Q3TQD2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2acf829ed23f9eb68573bca62133fe83ba942d561e65a75e9a2a29c5808cde9d +size 43500276 diff --git a/Mammals/Q3TQD2/top.pdb b/Mammals/Q3TQD2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..327984f83638bda7a3a29e5ad1181dd7fd434fbd --- /dev/null +++ b/Mammals/Q3TQD2/top.pdb @@ -0,0 +1,239 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ALA A 1 227.696 201.216 308.531 1.00 0.00 C +ATOM 2 CA ARG A 2 225.729 200.376 305.378 1.00 0.00 C +ATOM 3 CA ALA A 3 226.507 203.088 302.817 1.00 0.00 C +ATOM 4 CA SER A 4 228.948 205.254 300.851 1.00 0.00 C +ATOM 5 CA PRO A 5 230.430 208.314 299.131 1.00 0.00 C +ATOM 6 CA LEU A 6 233.924 208.429 297.616 1.00 0.00 C +ATOM 7 CA LEU A 7 236.294 205.717 296.375 1.00 0.00 C +ATOM 8 CA SER A 8 237.144 202.090 295.576 1.00 0.00 C +ATOM 9 CA ASP A 9 237.260 198.547 294.181 1.00 0.00 C +ATOM 10 CA LYS A 10 238.019 195.768 291.687 1.00 0.00 C +ATOM 11 CA HIS A 11 236.682 192.342 290.692 1.00 0.00 C +ATOM 12 CA LYS A 12 238.293 189.735 288.429 1.00 0.00 C +ATOM 13 CA HIS A 13 237.597 190.106 284.701 1.00 0.00 C +ATOM 14 CA SER A 14 238.084 191.386 281.146 1.00 0.00 C +ATOM 15 CA ARG A 15 237.444 189.663 277.809 1.00 0.00 C +ATOM 16 CA GLU A 16 235.183 188.604 274.931 1.00 0.00 C +ATOM 17 CA ASN A 17 233.898 190.225 271.732 1.00 0.00 C +ATOM 18 CA SER A 18 234.978 192.077 268.582 1.00 0.00 C +ATOM 19 CA CYS A 19 233.606 194.955 266.496 1.00 0.00 C +ATOM 20 CA LEU A 20 231.640 197.547 264.514 1.00 0.00 C +ATOM 21 CA SER A 21 231.248 200.270 261.878 1.00 0.00 C +ATOM 22 CA PRO A 22 229.914 203.390 263.611 1.00 0.00 C +ATOM 23 CA ARG A 23 228.464 205.820 261.059 1.00 0.00 C +ATOM 24 CA ASP A 24 228.334 204.199 257.614 1.00 0.00 C +ATOM 25 CA ARG A 25 226.100 205.137 254.674 1.00 0.00 C +ATOM 26 CA PRO A 26 226.847 202.558 251.971 1.00 0.00 C +ATOM 27 CA CYS A 27 228.098 199.016 251.333 1.00 0.00 C +ATOM 28 CA SER A 28 229.285 195.419 250.924 1.00 0.00 C +ATOM 29 CA ALA A 29 230.480 195.027 247.327 1.00 0.00 C +ATOM 30 CA ILE A 30 231.465 191.844 245.480 1.00 0.00 C +ATOM 31 CA TYR A 31 235.022 191.221 244.268 1.00 0.00 C +ATOM 32 CA PRO A 32 236.631 187.793 243.841 1.00 0.00 C +ATOM 33 CA THR A 33 238.606 186.189 241.005 1.00 0.00 C +ATOM 34 CA PRO A 34 242.212 185.905 239.809 1.00 0.00 C +ATOM 35 CA VAL A 35 242.961 186.734 236.167 1.00 0.00 C +ATOM 36 CA GLU A 36 242.331 187.098 232.427 1.00 0.00 C +ATOM 37 CA PRO A 37 242.709 190.287 230.376 1.00 0.00 C +ATOM 38 CA SER A 38 245.958 192.188 230.960 1.00 0.00 C +ATOM 39 CA GLN A 39 247.371 195.720 230.743 1.00 0.00 C +ATOM 40 CA ARG A 40 248.111 199.035 229.017 1.00 0.00 C +ATOM 41 CA MET A 41 250.984 201.300 230.079 1.00 0.00 C +ATOM 42 CA LEU A 42 250.497 204.869 231.322 1.00 0.00 C +ATOM 43 CA PHE A 43 251.195 207.102 234.329 1.00 0.00 C +ATOM 44 CA ASN A 44 252.786 204.822 236.933 1.00 0.00 C +ATOM 45 CA HIS A 45 250.412 203.489 239.598 1.00 0.00 C +ATOM 46 CA ILE A 46 246.862 202.933 238.331 1.00 0.00 C +ATOM 47 CA GLY A 47 244.022 202.730 240.862 1.00 0.00 C +ATOM 48 CA ASP A 48 242.772 205.025 243.634 1.00 0.00 C +ATOM 49 CA GLY A 49 241.153 207.183 246.324 1.00 0.00 C +ATOM 50 CA ALA A 50 240.600 210.690 247.708 1.00 0.00 C +ATOM 51 CA LEU A 51 239.731 210.672 251.417 1.00 0.00 C +ATOM 52 CA PRO A 52 241.820 208.849 254.030 1.00 0.00 C +ATOM 53 CA ARG A 53 240.957 205.138 253.961 1.00 0.00 C +ATOM 54 CA SER A 54 239.483 202.280 251.919 1.00 0.00 C +ATOM 55 CA ASP A 55 236.928 199.769 250.621 1.00 0.00 C +ATOM 56 CA PRO A 56 237.187 197.445 247.613 1.00 0.00 C +ATOM 57 CA ASN A 57 237.994 199.593 244.572 1.00 0.00 C +ATOM 58 CA LEU A 58 237.396 199.510 240.810 1.00 0.00 C +ATOM 59 CA SER A 59 236.657 197.741 237.517 1.00 0.00 C +ATOM 60 CA ALA A 60 233.029 196.627 237.843 1.00 0.00 C +ATOM 61 CA PRO A 61 230.024 197.473 235.659 1.00 0.00 C +ATOM 62 CA GLU A 62 230.578 198.783 232.125 1.00 0.00 C +ATOM 63 CA LYS A 63 228.003 201.535 231.567 1.00 0.00 C +ATOM 64 CA ALA A 64 229.355 203.995 228.991 1.00 0.00 C +ATOM 65 CA SER A 65 228.933 206.974 226.653 1.00 0.00 C +ATOM 66 CA PRO A 66 228.010 210.123 228.589 1.00 0.00 C +ATOM 67 CA ALA A 67 229.100 211.725 231.870 1.00 0.00 C +ATOM 68 CA ARG A 68 230.629 214.930 233.251 1.00 0.00 C +ATOM 69 CA HIS A 69 234.420 214.580 233.104 1.00 0.00 C +ATOM 70 CA THR A 70 238.221 214.757 232.911 1.00 0.00 C +ATOM 71 CA THR A 71 240.608 214.803 229.941 1.00 0.00 C +ATOM 72 CA SER A 72 244.267 215.494 230.746 1.00 0.00 C +ATOM 73 CA VAL A 73 247.493 213.952 232.061 1.00 0.00 C +ATOM 74 CA SER A 74 251.161 214.073 231.038 1.00 0.00 C +ATOM 75 CA PRO A 75 252.067 216.935 228.691 1.00 0.00 C +ATOM 76 CA SER A 76 255.527 218.486 228.315 1.00 0.00 C +ATOM 77 CA PRO A 77 257.493 219.164 225.123 1.00 0.00 C +ATOM 78 CA ALA A 78 258.357 215.990 223.200 1.00 0.00 C +ATOM 79 CA GLY A 79 261.708 216.344 221.422 1.00 0.00 C +ATOM 80 CA ARG A 80 265.251 215.744 220.157 1.00 0.00 C +ATOM 81 CA SER A 81 268.387 215.064 218.101 1.00 0.00 C +ATOM 82 CA PRO A 82 269.732 217.148 215.209 1.00 0.00 C +ATOM 83 CA LEU A 83 269.597 219.525 212.235 1.00 0.00 C +ATOM 84 CA LYS A 84 266.898 222.119 211.530 1.00 0.00 C +ATOM 85 CA GLY A 85 265.013 225.285 212.501 1.00 0.00 C +ATOM 86 CA SER A 86 266.837 228.251 214.047 1.00 0.00 C +ATOM 87 CA VAL A 87 266.987 230.239 217.294 1.00 0.00 C +ATOM 88 CA GLN A 88 269.650 232.869 218.006 1.00 0.00 C +ATOM 89 CA SER A 89 270.999 235.874 216.091 1.00 0.00 C +ATOM 90 CA PHE A 90 272.754 239.187 216.771 1.00 0.00 C +ATOM 91 CA THR A 91 270.283 241.979 215.986 1.00 0.00 C +ATOM 92 CA PRO A 92 266.540 242.485 216.483 1.00 0.00 C +ATOM 93 CA SER A 93 264.028 241.621 219.214 1.00 0.00 C +ATOM 94 CA PRO A 94 264.890 242.368 222.849 1.00 0.00 C +ATOM 95 CA VAL A 95 262.064 244.180 224.650 1.00 0.00 C +ATOM 96 CA GLU A 96 259.979 247.073 225.991 1.00 0.00 C +ATOM 97 CA TYR A 97 256.191 246.939 226.377 1.00 0.00 C +ATOM 98 CA ASN A 98 252.800 246.557 224.683 1.00 0.00 C +ATOM 99 CA SER A 99 250.930 249.653 223.486 1.00 0.00 C +ATOM 100 CA PRO A 100 247.858 251.623 222.391 1.00 0.00 C +ATOM 101 CA GLY A 101 247.693 254.724 224.598 1.00 0.00 C +ATOM 102 CA LEU A 102 248.099 257.414 227.266 1.00 0.00 C +ATOM 103 CA SER A 103 246.828 260.652 228.820 1.00 0.00 C +ATOM 104 CA SER A 104 248.512 261.433 232.148 1.00 0.00 C +ATOM 105 CA ASN A 105 248.133 263.366 235.410 1.00 0.00 C +ATOM 106 CA SER A 106 248.015 261.548 238.756 1.00 0.00 C +ATOM 107 CA PRO A 107 248.834 264.115 241.450 1.00 0.00 C +ATOM 108 CA VAL A 108 250.575 267.489 241.770 1.00 0.00 C +ATOM 109 CA LEU A 109 254.143 267.406 240.439 1.00 0.00 C +ATOM 110 CA SER A 110 255.859 270.808 240.416 1.00 0.00 C +ATOM 111 CA GLY A 111 258.338 271.361 237.577 1.00 0.00 C +ATOM 112 CA SER A 112 261.552 269.743 236.324 1.00 0.00 C +ATOM 113 CA TYR A 113 264.421 267.860 234.667 1.00 0.00 C +ATOM 114 CA SER A 114 264.924 269.099 231.100 1.00 0.00 C +ATOM 115 CA SER A 115 267.716 270.724 229.080 1.00 0.00 C +ATOM 116 CA GLY A 116 268.970 272.393 225.893 1.00 0.00 C +ATOM 117 CA ILE A 117 267.642 274.453 222.976 1.00 0.00 C +ATOM 118 CA SER A 118 269.299 277.277 221.028 1.00 0.00 C +ATOM 119 CA SER A 119 270.836 279.847 218.672 1.00 0.00 C +ATOM 120 CA LEU A 120 270.332 283.400 217.392 1.00 0.00 C +ATOM 121 CA SER A 121 270.507 287.189 217.744 1.00 0.00 C +ATOM 122 CA ARG A 122 271.342 290.765 216.728 1.00 0.00 C +ATOM 123 CA CYS A 123 268.608 293.356 217.299 1.00 0.00 C +ATOM 124 CA SER A 124 269.919 296.371 219.224 1.00 0.00 C +ATOM 125 CA THR A 125 268.932 298.571 222.174 1.00 0.00 C +ATOM 126 CA SER A 126 265.992 298.652 224.596 1.00 0.00 C +ATOM 127 CA GLU A 127 264.174 299.368 227.867 1.00 0.00 C +ATOM 128 CA THR A 128 262.681 301.163 230.877 1.00 0.00 C +ATOM 129 CA SER A 129 259.162 302.367 230.051 1.00 0.00 C +ATOM 130 CA GLY A 130 257.147 304.413 232.555 1.00 0.00 C +ATOM 131 CA PHE A 131 254.532 305.068 235.247 1.00 0.00 C +ATOM 132 CA GLU A 132 254.401 307.183 238.414 1.00 0.00 C +ATOM 133 CA ASN A 133 256.051 305.043 241.099 1.00 0.00 C +ATOM 134 CA GLN A 134 255.167 304.915 244.803 1.00 0.00 C +ATOM 135 CA ALA A 135 252.668 303.448 247.277 1.00 0.00 C +ATOM 136 CA ASN A 136 249.294 303.682 245.522 1.00 0.00 C +ATOM 137 CA GLU A 137 247.486 300.333 245.687 1.00 0.00 C +ATOM 138 CA GLN A 138 246.741 296.911 247.188 1.00 0.00 C +ATOM 139 CA SER A 139 243.950 295.193 245.245 1.00 0.00 C +ATOM 140 CA VAL A 140 242.300 291.855 246.051 1.00 0.00 C +ATOM 141 CA PRO A 141 238.680 290.895 246.754 1.00 0.00 C +ATOM 142 CA VAL A 142 236.327 288.959 249.041 1.00 0.00 C +ATOM 143 CA PRO A 143 237.395 288.085 252.592 1.00 0.00 C +ATOM 144 CA VAL A 144 237.826 291.096 254.886 1.00 0.00 C +ATOM 145 CA PRO A 145 240.052 293.850 256.292 1.00 0.00 C +ATOM 146 CA VAL A 146 243.119 295.785 255.124 1.00 0.00 C +ATOM 147 CA PRO A 147 246.918 296.057 255.227 1.00 0.00 C +ATOM 148 CA VAL A 148 249.130 298.764 253.711 1.00 0.00 C +ATOM 149 CA PRO A 149 252.889 298.208 253.437 1.00 0.00 C +ATOM 150 CA VAL A 150 255.543 297.339 250.845 1.00 0.00 C +ATOM 151 CA PRO A 151 258.699 299.225 251.844 1.00 0.00 C +ATOM 152 CA VAL A 152 260.430 302.023 249.923 1.00 0.00 C +ATOM 153 CA PRO A 153 260.628 302.578 246.158 1.00 0.00 C +ATOM 154 CA SER A 154 260.264 299.820 243.555 1.00 0.00 C +ATOM 155 CA PHE A 155 262.715 297.003 244.315 1.00 0.00 C +ATOM 156 CA SER A 156 266.449 296.567 244.936 1.00 0.00 C +ATOM 157 CA GLY A 157 268.110 299.458 246.778 1.00 0.00 C +ATOM 158 CA SER A 158 271.898 299.864 246.873 1.00 0.00 C +ATOM 159 CA GLU A 159 274.043 299.007 249.902 1.00 0.00 C +ATOM 160 CA GLU A 160 273.620 301.738 252.525 1.00 0.00 C +ATOM 161 CA PRO A 161 276.736 303.082 254.257 1.00 0.00 C +ATOM 162 CA VAL A 162 279.862 301.681 252.591 1.00 0.00 C +ATOM 163 CA ARG A 163 280.106 297.950 251.855 1.00 0.00 C +ATOM 164 CA LYS A 164 280.245 295.765 254.973 1.00 0.00 C +ATOM 165 CA GLU A 165 277.811 293.241 256.463 1.00 0.00 C +ATOM 166 CA SER A 166 278.124 292.206 260.117 1.00 0.00 C +ATOM 167 CA LYS A 167 275.068 291.125 262.120 1.00 0.00 C +ATOM 168 CA THR A 168 272.047 288.938 261.343 1.00 0.00 C +ATOM 169 CA PRO A 169 269.084 286.804 262.434 1.00 0.00 C +ATOM 170 CA PRO A 170 265.671 285.738 261.119 1.00 0.00 C +ATOM 171 CA PRO A 171 262.519 287.796 261.701 1.00 0.00 C +ATOM 172 CA TYR A 172 261.996 290.179 264.627 1.00 0.00 C +ATOM 173 CA SER A 173 261.701 289.265 268.314 1.00 0.00 C +ATOM 174 CA VAL A 174 263.499 286.169 269.616 1.00 0.00 C +ATOM 175 CA TYR A 175 265.116 282.970 268.324 1.00 0.00 C +ATOM 176 CA GLU A 176 268.842 282.225 268.040 1.00 0.00 C +ATOM 177 CA ARG A 177 270.974 281.266 271.049 1.00 0.00 C +ATOM 178 CA THR A 178 271.426 282.275 274.695 1.00 0.00 C +ATOM 179 CA LEU A 179 268.911 280.615 277.027 1.00 0.00 C +ATOM 180 CA ARG A 180 269.139 276.997 278.200 1.00 0.00 C +ATOM 181 CA ARG A 181 267.437 273.604 278.519 1.00 0.00 C +ATOM 182 CA PRO A 182 265.954 271.491 275.717 1.00 0.00 C +ATOM 183 CA VAL A 183 265.245 270.638 272.072 1.00 0.00 C +ATOM 184 CA PRO A 184 266.342 273.130 269.407 1.00 0.00 C +ATOM 185 CA LEU A 185 263.843 276.004 269.278 1.00 0.00 C +ATOM 186 CA PRO A 186 263.483 277.602 265.838 1.00 0.00 C +ATOM 187 CA HIS A 187 262.350 276.060 262.544 1.00 0.00 C +ATOM 188 CA SER A 188 262.186 276.122 258.738 1.00 0.00 C +ATOM 189 CA LEU A 189 260.407 274.336 255.881 1.00 0.00 C +ATOM 190 CA SER A 190 260.208 272.630 252.480 1.00 0.00 C +ATOM 191 CA ILE A 191 259.694 274.945 249.498 1.00 0.00 C +ATOM 192 CA PRO A 192 258.585 278.233 251.071 1.00 0.00 C +ATOM 193 CA VAL A 193 261.439 280.551 252.070 1.00 0.00 C +ATOM 194 CA THR A 194 262.068 283.524 254.369 1.00 0.00 C +ATOM 195 CA SER A 195 259.179 285.938 253.781 1.00 0.00 C +ATOM 196 CA GLU A 196 257.883 287.655 256.926 1.00 0.00 C +ATOM 197 CA PRO A 197 255.250 285.395 258.499 1.00 0.00 C +ATOM 198 CA PRO A 198 254.334 281.839 259.514 1.00 0.00 C +ATOM 199 CA ALA A 199 254.568 278.082 258.921 1.00 0.00 C +ATOM 200 CA LEU A 200 253.602 275.864 261.864 1.00 0.00 C +ATOM 201 CA PRO A 201 251.995 277.088 265.094 1.00 0.00 C +ATOM 202 CA PRO A 202 248.196 277.012 265.372 1.00 0.00 C +ATOM 203 CA LYS A 203 246.312 276.308 268.608 1.00 0.00 C +ATOM 204 CA PRO A 204 243.766 278.397 270.524 1.00 0.00 C +ATOM 205 CA LEU A 205 240.620 278.584 268.382 1.00 0.00 C +ATOM 206 CA ALA A 206 239.740 275.678 266.081 1.00 0.00 C +ATOM 207 CA ALA A 207 240.010 273.339 263.086 1.00 0.00 C +ATOM 208 CA ARG A 208 240.970 273.310 259.399 1.00 0.00 C +ATOM 209 CA SER A 209 241.513 273.923 255.678 1.00 0.00 C +ATOM 210 CA SER A 210 242.512 270.560 254.192 1.00 0.00 C +ATOM 211 CA HIS A 211 239.995 267.773 253.553 1.00 0.00 C +ATOM 212 CA LEU A 212 238.315 264.501 252.557 1.00 0.00 C +ATOM 213 CA GLU A 213 240.478 261.798 254.148 1.00 0.00 C +ATOM 214 CA ASN A 214 239.643 260.482 257.624 1.00 0.00 C +ATOM 215 CA GLY A 215 237.536 257.315 257.833 1.00 0.00 C +ATOM 216 CA THR A 216 238.847 255.354 260.825 1.00 0.00 C +ATOM 217 CA ARG A 217 241.283 257.295 263.018 1.00 0.00 C +ATOM 218 CA ARG A 218 244.532 259.164 263.705 1.00 0.00 C +ATOM 219 CA THR A 219 245.146 262.864 264.373 1.00 0.00 C +ATOM 220 CA GLU A 220 243.420 263.777 267.644 1.00 0.00 C +ATOM 221 CA PRO A 221 239.670 263.301 268.120 1.00 0.00 C +ATOM 222 CA GLY A 222 239.245 260.033 270.032 1.00 0.00 C +ATOM 223 CA PRO A 223 240.197 256.685 271.582 1.00 0.00 C +ATOM 224 CA ARG A 224 239.346 256.897 275.290 1.00 0.00 C +ATOM 225 CA PRO A 225 240.330 256.805 278.970 1.00 0.00 C +ATOM 226 CA ARG A 226 237.423 257.964 281.142 1.00 0.00 C +ATOM 227 CA PRO A 227 235.123 255.266 282.538 1.00 0.00 C +ATOM 228 CA LEU A 228 234.475 254.838 286.268 1.00 0.00 C +ATOM 229 CA PRO A 229 234.045 256.909 289.437 1.00 0.00 C +ATOM 230 CA ARG A 230 232.579 259.932 291.233 1.00 0.00 C +ATOM 231 CA LYS A 231 228.848 260.452 290.663 1.00 0.00 C +ATOM 232 CA VAL A 232 225.679 261.412 288.779 1.00 0.00 C +ATOM 233 CA SER A 233 223.198 262.670 286.175 1.00 0.00 C +ATOM 234 CA GLN A 234 219.945 264.205 284.920 1.00 0.00 C +ATOM 235 CA LEU A 235 218.042 266.945 286.760 1.00 0.00 C +TER 236 LEU A 235 +END diff --git a/Mammals/Q3TQT3/Q3TQT3.dcd b/Mammals/Q3TQT3/Q3TQT3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a7e2b141f573756552266f1d6a595fe8012a6ade --- /dev/null +++ b/Mammals/Q3TQT3/Q3TQT3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0140102dfd74f01feb21e25e075ca34d49994871b0f75bae8d65be189de4faca +size 4640276 diff --git a/Mammals/Q3TQT3/top.pdb b/Mammals/Q3TQT3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..454a6fc3131469e98df121ba443d448d9c28c416 --- /dev/null +++ b/Mammals/Q3TQT3/top.pdb @@ -0,0 +1,36 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA PHE A 1 233.697 248.736 230.796 1.00 0.00 C +ATOM 2 CA LEU A 2 235.363 247.246 233.881 1.00 0.00 C +ATOM 3 CA GLY A 3 234.362 247.269 237.557 1.00 0.00 C +ATOM 4 CA GLN A 4 234.801 244.058 239.562 1.00 0.00 C +ATOM 5 CA PRO A 5 235.920 243.777 243.193 1.00 0.00 C +ATOM 6 CA ALA A 6 236.814 241.903 246.387 1.00 0.00 C +ATOM 7 CA LEU A 7 237.921 242.990 249.867 1.00 0.00 C +ATOM 8 CA HIS A 8 236.482 242.184 253.302 1.00 0.00 C +ATOM 9 CA ARG A 9 238.204 240.472 256.238 1.00 0.00 C +ATOM 10 CA GLU A 10 241.769 239.646 257.297 1.00 0.00 C +ATOM 11 CA THR A 11 244.777 239.310 254.983 1.00 0.00 C +ATOM 12 CA CYS A 12 248.099 237.473 254.653 1.00 0.00 C +ATOM 13 CA HIS A 13 251.504 237.970 253.018 1.00 0.00 C +ATOM 14 CA GLU A 14 253.505 239.193 250.015 1.00 0.00 C +ATOM 15 CA GLU A 15 253.950 242.922 249.373 1.00 0.00 C +ATOM 16 CA LYS A 16 251.959 245.876 248.024 1.00 0.00 C +ATOM 17 CA LYS A 17 249.515 248.763 247.568 1.00 0.00 C +ATOM 18 CA LYS A 18 250.473 252.207 248.885 1.00 0.00 C +ATOM 19 CA LYS A 19 252.978 252.389 251.751 1.00 0.00 C +ATOM 20 CA LYS A 20 256.317 250.710 252.489 1.00 0.00 C +ATOM 21 CA LYS A 21 257.902 250.847 255.951 1.00 0.00 C +ATOM 22 CA PRO A 22 256.174 252.423 258.959 1.00 0.00 C +ATOM 23 CA THR A 23 257.870 255.240 260.882 1.00 0.00 C +ATOM 24 CA THR A 24 260.273 258.197 260.929 1.00 0.00 C +ATOM 25 CA HIS A 25 260.283 261.905 260.053 1.00 0.00 C +ATOM 26 CA ASN A 26 258.104 263.551 257.396 1.00 0.00 C +ATOM 27 CA ALA A 27 259.776 265.340 254.477 1.00 0.00 C +ATOM 28 CA TYR A 28 262.257 264.592 251.684 1.00 0.00 C +ATOM 29 CA ASP A 29 262.362 263.005 248.222 1.00 0.00 C +ATOM 30 CA LEU A 30 264.052 259.791 247.067 1.00 0.00 C +ATOM 31 CA LEU A 31 262.691 259.041 243.589 1.00 0.00 C +ATOM 32 CA ILE A 32 259.845 260.975 241.954 1.00 0.00 C +TER 33 ILE A 32 +END diff --git a/Mammals/Q3TRA8/Q3TRA8.dcd b/Mammals/Q3TRA8/Q3TRA8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e0d9bf0ac96955b5eb8c3261244f789ed9b4f2c4 --- /dev/null +++ b/Mammals/Q3TRA8/Q3TRA8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b56e1618bedd0de3bc19e1cfbc6937a53a24cc3cec63e1b479de6af494eb6d26 +size 52140276 diff --git a/Mammals/Q3TRA8/top.pdb b/Mammals/Q3TRA8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..912680611d646d9c2b9387511b1602ecd6504b4b --- /dev/null +++ b/Mammals/Q3TRA8/top.pdb @@ -0,0 +1,287 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 231.609 146.348 184.807 1.00 0.00 C +ATOM 2 CA GLN A 2 234.752 148.452 184.345 1.00 0.00 C +ATOM 3 CA PRO A 3 238.561 148.466 184.415 1.00 0.00 C +ATOM 4 CA PRO A 4 241.788 147.022 182.992 1.00 0.00 C +ATOM 5 CA PRO A 5 242.582 146.842 179.270 1.00 0.00 C +ATOM 6 CA GLN A 6 242.495 150.235 177.540 1.00 0.00 C +ATOM 7 CA ALA A 7 240.160 152.827 179.073 1.00 0.00 C +ATOM 8 CA VAL A 8 241.221 156.397 179.876 1.00 0.00 C +ATOM 9 CA PRO A 9 240.209 159.988 179.104 1.00 0.00 C +ATOM 10 CA SER A 10 237.352 161.771 180.885 1.00 0.00 C +ATOM 11 CA GLY A 11 235.250 163.837 178.470 1.00 0.00 C +ATOM 12 CA VAL A 12 231.662 164.111 177.220 1.00 0.00 C +ATOM 13 CA ALA A 13 228.123 165.393 177.813 1.00 0.00 C +ATOM 14 CA GLY A 14 226.980 168.855 176.708 1.00 0.00 C +ATOM 15 CA PRO A 15 228.536 171.310 179.171 1.00 0.00 C +ATOM 16 CA PRO A 16 227.641 170.927 182.855 1.00 0.00 C +ATOM 17 CA PRO A 17 226.117 173.998 184.516 1.00 0.00 C +ATOM 18 CA ALA A 18 227.065 177.632 185.154 1.00 0.00 C +ATOM 19 CA GLY A 19 225.603 180.238 187.518 1.00 0.00 C +ATOM 20 CA ASN A 20 228.559 182.234 188.857 1.00 0.00 C +ATOM 21 CA PRO A 21 231.554 184.551 188.436 1.00 0.00 C +ATOM 22 CA ARG A 22 233.826 187.099 186.744 1.00 0.00 C +ATOM 23 CA SER A 23 235.868 186.299 183.629 1.00 0.00 C +ATOM 24 CA MET A 24 239.664 186.462 183.338 1.00 0.00 C +ATOM 25 CA PHE A 25 243.399 187.212 183.351 1.00 0.00 C +ATOM 26 CA TRP A 26 244.936 185.232 186.221 1.00 0.00 C +ATOM 27 CA ALA A 27 248.503 184.784 187.482 1.00 0.00 C +ATOM 28 CA ASN A 28 249.674 185.540 191.028 1.00 0.00 C +ATOM 29 CA SER A 29 251.015 187.627 193.920 1.00 0.00 C +ATOM 30 CA PRO A 30 250.712 187.442 197.713 1.00 0.00 C +ATOM 31 CA TYR A 31 248.525 187.160 200.820 1.00 0.00 C +ATOM 32 CA ARG A 32 248.282 189.665 203.681 1.00 0.00 C +ATOM 33 CA LYS A 33 251.230 191.751 204.895 1.00 0.00 C +ATOM 34 CA PRO A 34 250.400 194.147 207.739 1.00 0.00 C +ATOM 35 CA ALA A 35 247.237 194.816 209.755 1.00 0.00 C +ATOM 36 CA ASN A 36 247.029 196.580 213.125 1.00 0.00 C +ATOM 37 CA ASN A 37 243.378 197.376 213.871 1.00 0.00 C +ATOM 38 CA ALA A 38 242.454 200.844 212.591 1.00 0.00 C +ATOM 39 CA PRO A 39 243.467 204.471 213.170 1.00 0.00 C +ATOM 40 CA VAL A 40 243.391 206.385 216.463 1.00 0.00 C +ATOM 41 CA ALA A 41 241.529 208.573 218.965 1.00 0.00 C +ATOM 42 CA PRO A 42 239.323 211.639 219.463 1.00 0.00 C +ATOM 43 CA ILE A 43 235.558 211.900 219.990 1.00 0.00 C +ATOM 44 CA THR A 44 234.892 215.627 220.418 1.00 0.00 C +ATOM 45 CA ARG A 45 234.581 219.028 218.728 1.00 0.00 C +ATOM 46 CA PRO A 46 234.444 219.688 214.978 1.00 0.00 C +ATOM 47 CA LEU A 47 232.917 221.889 212.269 1.00 0.00 C +ATOM 48 CA GLN A 48 230.008 224.046 211.085 1.00 0.00 C +ATOM 49 CA PRO A 49 226.479 222.851 210.285 1.00 0.00 C +ATOM 50 CA VAL A 50 223.442 224.990 211.131 1.00 0.00 C +ATOM 51 CA THR A 51 222.845 225.868 214.790 1.00 0.00 C +ATOM 52 CA ASP A 52 225.106 227.347 217.476 1.00 0.00 C +ATOM 53 CA PRO A 53 227.630 229.335 219.525 1.00 0.00 C +ATOM 54 CA PHE A 54 227.107 228.816 223.263 1.00 0.00 C +ATOM 55 CA ALA A 55 225.083 231.391 225.208 1.00 0.00 C +ATOM 56 CA PHE A 56 223.755 231.949 228.736 1.00 0.00 C +ATOM 57 CA ASN A 57 221.382 229.605 230.578 1.00 0.00 C +ATOM 58 CA ARG A 58 219.171 226.921 232.133 1.00 0.00 C +ATOM 59 CA GLN A 59 221.067 223.623 231.928 1.00 0.00 C +ATOM 60 CA THR A 60 220.805 222.102 228.444 1.00 0.00 C +ATOM 61 CA LEU A 61 223.847 220.632 226.683 1.00 0.00 C +ATOM 62 CA GLN A 62 224.632 218.602 223.556 1.00 0.00 C +ATOM 63 CA ASN A 63 226.027 215.301 224.850 1.00 0.00 C +ATOM 64 CA THR A 64 228.165 212.744 226.696 1.00 0.00 C +ATOM 65 CA PRO A 65 231.536 211.172 227.521 1.00 0.00 C +ATOM 66 CA VAL A 66 234.159 210.524 230.207 1.00 0.00 C +ATOM 67 CA GLY A 67 237.897 209.837 229.938 1.00 0.00 C +ATOM 68 CA SER A 68 239.818 207.762 227.385 1.00 0.00 C +ATOM 69 CA SER A 69 243.577 208.380 227.435 1.00 0.00 C +ATOM 70 CA SER A 70 247.179 209.487 226.871 1.00 0.00 C +ATOM 71 CA LYS A 71 250.272 208.478 228.854 1.00 0.00 C +ATOM 72 CA SER A 72 253.464 210.557 228.816 1.00 0.00 C +ATOM 73 CA SER A 73 252.911 214.319 228.570 1.00 0.00 C +ATOM 74 CA LEU A 74 250.751 217.095 227.105 1.00 0.00 C +ATOM 75 CA PRO A 75 252.986 220.177 227.245 1.00 0.00 C +ATOM 76 CA ASN A 76 253.334 223.609 225.626 1.00 0.00 C +ATOM 77 CA LEU A 77 250.924 226.526 226.072 1.00 0.00 C +ATOM 78 CA PRO A 78 250.461 228.084 222.626 1.00 0.00 C +ATOM 79 CA GLY A 79 251.921 231.500 221.781 1.00 0.00 C +ATOM 80 CA PRO A 80 252.409 234.867 220.065 1.00 0.00 C +ATOM 81 CA ALA A 81 254.898 237.521 218.938 1.00 0.00 C +ATOM 82 CA LEU A 82 256.991 236.846 215.827 1.00 0.00 C +ATOM 83 CA SER A 83 254.919 237.837 212.787 1.00 0.00 C +ATOM 84 CA VAL A 84 252.789 236.848 209.787 1.00 0.00 C +ATOM 85 CA PHE A 85 249.922 239.009 208.513 1.00 0.00 C +ATOM 86 CA SER A 86 250.762 240.623 205.166 1.00 0.00 C +ATOM 87 CA GLN A 87 250.025 244.311 204.555 1.00 0.00 C +ATOM 88 CA TRP A 88 247.679 247.133 205.578 1.00 0.00 C +ATOM 89 CA PRO A 89 245.691 249.104 208.162 1.00 0.00 C +ATOM 90 CA GLY A 90 244.826 247.633 211.569 1.00 0.00 C +ATOM 91 CA LEU A 91 246.056 248.383 215.096 1.00 0.00 C +ATOM 92 CA PRO A 92 249.243 247.441 216.959 1.00 0.00 C +ATOM 93 CA VAL A 93 250.292 249.271 220.132 1.00 0.00 C +ATOM 94 CA THR A 94 253.801 250.627 219.532 1.00 0.00 C +ATOM 95 CA PRO A 95 255.401 248.170 217.099 1.00 0.00 C +ATOM 96 CA THR A 96 257.666 250.183 214.789 1.00 0.00 C +ATOM 97 CA ASN A 97 260.570 252.072 216.375 1.00 0.00 C +ATOM 98 CA ALA A 98 259.696 253.207 219.906 1.00 0.00 C +ATOM 99 CA ALA A 99 261.200 256.373 221.400 1.00 0.00 C +ATOM 100 CA ASP A 100 260.876 256.325 225.195 1.00 0.00 C +ATOM 101 CA SER A 101 260.982 259.815 226.720 1.00 0.00 C +ATOM 102 CA SER A 102 260.489 262.919 224.566 1.00 0.00 C +ATOM 103 CA THR A 103 257.568 264.911 225.986 1.00 0.00 C +ATOM 104 CA GLY A 104 257.536 266.132 229.595 1.00 0.00 C +ATOM 105 CA LEU A 105 257.240 269.869 230.271 1.00 0.00 C +ATOM 106 CA HIS A 106 255.897 270.106 233.829 1.00 0.00 C +ATOM 107 CA GLU A 107 255.527 266.622 235.326 1.00 0.00 C +ATOM 108 CA PRO A 108 258.158 263.883 235.634 1.00 0.00 C +ATOM 109 CA LEU A 109 257.213 260.434 234.321 1.00 0.00 C +ATOM 110 CA SER A 110 259.962 257.954 233.421 1.00 0.00 C +ATOM 111 CA GLY A 111 260.379 254.226 232.755 1.00 0.00 C +ATOM 112 CA THR A 112 263.614 252.403 233.607 1.00 0.00 C +ATOM 113 CA LEU A 113 267.247 251.319 233.985 1.00 0.00 C +ATOM 114 CA SER A 114 269.197 254.157 235.616 1.00 0.00 C +ATOM 115 CA GLN A 115 271.798 253.714 238.365 1.00 0.00 C +ATOM 116 CA PRO A 116 274.721 254.655 240.620 1.00 0.00 C +ATOM 117 CA ARG A 117 276.585 257.656 242.046 1.00 0.00 C +ATOM 118 CA ALA A 118 275.367 259.202 245.307 1.00 0.00 C +ATOM 119 CA ASP A 119 276.596 261.069 248.393 1.00 0.00 C +ATOM 120 CA ALA A 120 276.423 261.922 252.102 1.00 0.00 C +ATOM 121 CA SER A 121 275.236 262.432 255.687 1.00 0.00 C +ATOM 122 CA LEU A 122 271.746 261.305 256.719 1.00 0.00 C +ATOM 123 CA PHE A 123 268.595 260.047 254.986 1.00 0.00 C +ATOM 124 CA PRO A 124 265.316 258.743 256.421 1.00 0.00 C +ATOM 125 CA PRO A 125 262.011 260.176 255.178 1.00 0.00 C +ATOM 126 CA ALA A 126 258.562 259.967 256.782 1.00 0.00 C +ATOM 127 CA SER A 127 255.112 260.774 258.182 1.00 0.00 C +ATOM 128 CA THR A 128 251.325 261.009 258.528 1.00 0.00 C +ATOM 129 CA PRO A 129 249.147 263.960 257.497 1.00 0.00 C +ATOM 130 CA SER A 130 248.052 267.239 255.895 1.00 0.00 C +ATOM 131 CA SER A 131 244.963 266.387 253.834 1.00 0.00 C +ATOM 132 CA LEU A 132 241.353 267.287 254.652 1.00 0.00 C +ATOM 133 CA PRO A 133 241.407 268.630 258.217 1.00 0.00 C +ATOM 134 CA GLY A 134 241.466 265.858 260.830 1.00 0.00 C +ATOM 135 CA LEU A 135 243.983 266.503 263.617 1.00 0.00 C +ATOM 136 CA GLU A 136 242.391 267.194 267.008 1.00 0.00 C +ATOM 137 CA VAL A 137 240.555 270.499 266.539 1.00 0.00 C +ATOM 138 CA SER A 138 240.947 272.431 269.800 1.00 0.00 C +ATOM 139 CA ARG A 139 241.239 273.833 273.330 1.00 0.00 C +ATOM 140 CA ASN A 140 241.127 277.529 274.249 1.00 0.00 C +ATOM 141 CA ALA A 141 238.169 279.912 273.947 1.00 0.00 C +ATOM 142 CA GLU A 142 235.790 280.663 276.826 1.00 0.00 C +ATOM 143 CA ALA A 143 233.671 278.059 278.626 1.00 0.00 C +ATOM 144 CA ASP A 144 231.637 275.227 277.090 1.00 0.00 C +ATOM 145 CA PRO A 145 229.726 272.690 274.986 1.00 0.00 C +ATOM 146 CA SER A 146 231.671 269.444 275.421 1.00 0.00 C +ATOM 147 CA SER A 147 232.356 267.364 278.539 1.00 0.00 C +ATOM 148 CA GLY A 148 232.301 267.536 282.345 1.00 0.00 C +ATOM 149 CA HIS A 149 235.046 265.469 283.990 1.00 0.00 C +ATOM 150 CA GLU A 150 236.750 262.078 283.646 1.00 0.00 C +ATOM 151 CA VAL A 151 234.998 259.940 281.024 1.00 0.00 C +ATOM 152 CA GLN A 152 234.967 256.411 279.590 1.00 0.00 C +ATOM 153 CA MET A 153 238.000 254.668 281.101 1.00 0.00 C +ATOM 154 CA LEU A 154 240.456 253.494 283.767 1.00 0.00 C +ATOM 155 CA PRO A 155 242.548 253.824 286.934 1.00 0.00 C +ATOM 156 CA HIS A 156 240.214 255.349 289.531 1.00 0.00 C +ATOM 157 CA SER A 157 239.607 255.145 293.287 1.00 0.00 C +ATOM 158 CA ALA A 158 236.306 256.931 293.938 1.00 0.00 C +ATOM 159 CA HIS A 159 234.536 258.553 296.897 1.00 0.00 C +ATOM 160 CA TYR A 160 233.032 261.887 295.829 1.00 0.00 C +ATOM 161 CA ILE A 161 231.571 265.252 296.857 1.00 0.00 C +ATOM 162 CA PRO A 162 230.606 268.266 294.735 1.00 0.00 C +ATOM 163 CA GLY A 163 227.090 269.731 294.665 1.00 0.00 C +ATOM 164 CA VAL A 164 224.779 266.719 294.345 1.00 0.00 C +ATOM 165 CA GLY A 165 221.294 265.305 293.733 1.00 0.00 C +ATOM 166 CA PRO A 166 217.884 263.628 293.462 1.00 0.00 C +ATOM 167 CA GLU A 167 215.198 260.943 293.764 1.00 0.00 C +ATOM 168 CA GLN A 168 216.554 257.383 293.719 1.00 0.00 C +ATOM 169 CA PRO A 169 219.492 256.807 296.076 1.00 0.00 C +ATOM 170 CA LEU A 170 222.311 259.215 295.195 1.00 0.00 C +ATOM 171 CA GLY A 171 225.900 257.955 294.989 1.00 0.00 C +ATOM 172 CA GLY A 172 227.813 254.996 293.539 1.00 0.00 C +ATOM 173 CA GLN A 173 226.722 252.015 291.433 1.00 0.00 C +ATOM 174 CA MET A 174 223.982 252.418 288.816 1.00 0.00 C +ATOM 175 CA ASN A 175 223.599 253.419 285.160 1.00 0.00 C +ATOM 176 CA ASP A 176 225.587 255.139 282.402 1.00 0.00 C +ATOM 177 CA SER A 177 225.425 253.277 279.082 1.00 0.00 C +ATOM 178 CA GLY A 178 224.945 254.953 275.694 1.00 0.00 C +ATOM 179 CA SER A 179 223.866 258.568 276.227 1.00 0.00 C +ATOM 180 CA GLY A 180 221.928 261.753 275.445 1.00 0.00 C +ATOM 181 CA PRO A 181 218.402 261.763 276.889 1.00 0.00 C +ATOM 182 CA ASP A 182 218.649 262.598 280.598 1.00 0.00 C +ATOM 183 CA GLN A 183 221.404 264.992 281.689 1.00 0.00 C +ATOM 184 CA PRO A 184 224.942 265.364 280.324 1.00 0.00 C +ATOM 185 CA MET A 185 226.130 266.814 277.007 1.00 0.00 C +ATOM 186 CA ASN A 186 227.480 265.018 273.931 1.00 0.00 C +ATOM 187 CA ARG A 187 226.830 266.259 270.388 1.00 0.00 C +ATOM 188 CA HIS A 188 228.612 269.051 268.505 1.00 0.00 C +ATOM 189 CA ALA A 189 229.260 272.726 267.737 1.00 0.00 C +ATOM 190 CA PRO A 190 231.493 275.616 266.653 1.00 0.00 C +ATOM 191 CA HIS A 191 232.888 278.716 268.374 1.00 0.00 C +ATOM 192 CA ASP A 192 231.791 281.953 270.057 1.00 0.00 C +ATOM 193 CA GLY A 193 231.314 285.041 272.236 1.00 0.00 C +ATOM 194 CA ALA A 194 234.252 287.433 271.828 1.00 0.00 C +ATOM 195 CA VAL A 195 234.840 291.050 272.871 1.00 0.00 C +ATOM 196 CA THR A 196 234.093 294.433 274.455 1.00 0.00 C +ATOM 197 CA HIS A 197 236.956 296.589 275.746 1.00 0.00 C +ATOM 198 CA ALA A 198 238.894 299.403 277.433 1.00 0.00 C +ATOM 199 CA ALA A 199 242.529 298.280 277.628 1.00 0.00 C +ATOM 200 CA SER A 200 245.840 298.167 275.745 1.00 0.00 C +ATOM 201 CA PRO A 201 246.984 298.086 272.112 1.00 0.00 C +ATOM 202 CA PHE A 202 245.407 298.666 268.693 1.00 0.00 C +ATOM 203 CA LEU A 203 246.681 301.677 266.736 1.00 0.00 C +ATOM 204 CA PRO A 204 244.831 305.007 266.808 1.00 0.00 C +ATOM 205 CA GLN A 205 241.567 305.389 268.736 1.00 0.00 C +ATOM 206 CA PRO A 206 239.859 305.715 272.126 1.00 0.00 C +ATOM 207 CA GLN A 207 237.100 303.255 273.047 1.00 0.00 C +ATOM 208 CA MET A 208 237.488 300.265 270.717 1.00 0.00 C +ATOM 209 CA PRO A 209 239.131 298.366 267.852 1.00 0.00 C +ATOM 210 CA GLY A 210 239.085 296.151 264.752 1.00 0.00 C +ATOM 211 CA GLN A 211 240.476 294.873 261.444 1.00 0.00 C +ATOM 212 CA TRP A 212 243.969 293.490 260.806 1.00 0.00 C +ATOM 213 CA GLY A 213 245.414 290.051 261.578 1.00 0.00 C +ATOM 214 CA PRO A 214 248.418 287.719 261.344 1.00 0.00 C +ATOM 215 CA ALA A 215 249.677 284.309 262.486 1.00 0.00 C +ATOM 216 CA GLN A 216 253.312 283.659 263.421 1.00 0.00 C +ATOM 217 CA GLY A 217 256.664 284.238 265.139 1.00 0.00 C +ATOM 218 CA GLY A 218 257.393 284.181 268.878 1.00 0.00 C +ATOM 219 CA PRO A 219 260.846 282.627 269.301 1.00 0.00 C +ATOM 220 CA GLN A 220 263.864 283.620 267.198 1.00 0.00 C +ATOM 221 CA PRO A 221 267.635 284.067 266.886 1.00 0.00 C +ATOM 222 CA SER A 222 271.361 284.262 267.658 1.00 0.00 C +ATOM 223 CA TYR A 223 272.547 285.743 270.962 1.00 0.00 C +ATOM 224 CA GLN A 224 272.935 289.230 272.447 1.00 0.00 C +ATOM 225 CA HIS A 225 272.614 291.450 275.527 1.00 0.00 C +ATOM 226 CA HIS A 226 269.777 292.136 277.976 1.00 0.00 C +ATOM 227 CA SER A 227 266.335 293.759 277.795 1.00 0.00 C +ATOM 228 CA PRO A 228 263.795 296.598 277.721 1.00 0.00 C +ATOM 229 CA TYR A 229 261.740 297.637 280.757 1.00 0.00 C +ATOM 230 CA LEU A 230 262.337 296.878 284.442 1.00 0.00 C +ATOM 231 CA GLU A 231 260.715 295.942 287.761 1.00 0.00 C +ATOM 232 CA GLY A 232 262.816 294.472 290.580 1.00 0.00 C +ATOM 233 CA PRO A 233 263.958 295.821 293.955 1.00 0.00 C +ATOM 234 CA VAL A 234 267.461 295.405 295.395 1.00 0.00 C +ATOM 235 CA GLN A 235 270.444 296.711 297.372 1.00 0.00 C +ATOM 236 CA ASN A 236 271.902 293.601 299.022 1.00 0.00 C +ATOM 237 CA MET A 237 269.474 290.701 298.566 1.00 0.00 C +ATOM 238 CA GLY A 238 268.504 287.129 297.661 1.00 0.00 C +ATOM 239 CA LEU A 239 268.888 284.349 295.085 1.00 0.00 C +ATOM 240 CA GLN A 240 270.469 282.961 291.908 1.00 0.00 C +ATOM 241 CA ALA A 241 272.021 279.628 290.910 1.00 0.00 C +ATOM 242 CA ALA A 242 274.276 279.035 287.897 1.00 0.00 C +ATOM 243 CA SER A 243 277.358 276.941 287.105 1.00 0.00 C +ATOM 244 CA LEU A 244 280.534 274.951 286.416 1.00 0.00 C +ATOM 245 CA PRO A 245 279.459 271.995 284.265 1.00 0.00 C +ATOM 246 CA HIS A 246 280.816 269.370 281.861 1.00 0.00 C +ATOM 247 CA PHE A 247 279.501 270.089 278.358 1.00 0.00 C +ATOM 248 CA PRO A 248 277.673 269.073 275.173 1.00 0.00 C +ATOM 249 CA PRO A 249 276.129 268.490 271.739 1.00 0.00 C +ATOM 250 CA PRO A 250 273.479 267.337 269.257 1.00 0.00 C +ATOM 251 CA SER A 251 273.443 268.127 265.530 1.00 0.00 C +ATOM 252 CA SER A 252 273.910 265.888 262.482 1.00 0.00 C +ATOM 253 CA LEU A 253 276.980 263.776 261.689 1.00 0.00 C +ATOM 254 CA HIS A 254 277.925 260.607 263.581 1.00 0.00 C +ATOM 255 CA GLN A 255 281.286 259.790 265.179 1.00 0.00 C +ATOM 256 CA GLY A 256 282.442 262.431 267.670 1.00 0.00 C +ATOM 257 CA PRO A 257 285.963 261.432 268.730 1.00 0.00 C +ATOM 258 CA GLY A 258 288.980 263.448 267.568 1.00 0.00 C +ATOM 259 CA HIS A 259 292.589 263.676 266.368 1.00 0.00 C +ATOM 260 CA GLU A 260 294.077 267.010 267.457 1.00 0.00 C +ATOM 261 CA SER A 261 294.052 267.122 271.266 1.00 0.00 C +ATOM 262 CA HIS A 262 291.932 264.900 273.520 1.00 0.00 C +ATOM 263 CA ALA A 263 290.168 267.247 275.947 1.00 0.00 C +ATOM 264 CA PRO A 264 292.814 269.478 277.540 1.00 0.00 C +ATOM 265 CA GLN A 265 293.859 273.112 278.009 1.00 0.00 C +ATOM 266 CA THR A 266 294.229 275.696 280.784 1.00 0.00 C +ATOM 267 CA PHE A 267 295.836 279.007 279.801 1.00 0.00 C +ATOM 268 CA THR A 268 295.218 282.430 281.357 1.00 0.00 C +ATOM 269 CA PRO A 269 293.093 281.753 284.446 1.00 0.00 C +ATOM 270 CA ALA A 270 289.461 281.064 285.366 1.00 0.00 C +ATOM 271 CA SER A 271 286.361 282.562 286.999 1.00 0.00 C +ATOM 272 CA LEU A 272 283.563 281.972 289.516 1.00 0.00 C +ATOM 273 CA ALA A 273 281.717 282.228 292.839 1.00 0.00 C +ATOM 274 CA SER A 274 283.149 283.009 296.283 1.00 0.00 C +ATOM 275 CA GLY A 275 286.943 283.004 295.944 1.00 0.00 C +ATOM 276 CA GLU A 276 287.920 279.926 293.923 1.00 0.00 C +ATOM 277 CA GLY A 277 287.396 277.342 291.172 1.00 0.00 C +ATOM 278 CA ASN A 278 289.648 274.270 291.238 1.00 0.00 C +ATOM 279 CA GLU A 279 290.326 273.059 287.690 1.00 0.00 C +ATOM 280 CA ILE A 280 291.342 269.932 285.765 1.00 0.00 C +ATOM 281 CA VAL A 281 293.900 267.155 285.254 1.00 0.00 C +ATOM 282 CA HIS A 282 293.353 263.640 286.617 1.00 0.00 C +ATOM 283 CA GLN A 283 291.533 260.296 286.456 1.00 0.00 C +TER 284 GLN A 283 +END diff --git a/Mammals/Q3TRU2/Q3TRU2.dcd b/Mammals/Q3TRU2/Q3TRU2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..534dddddaea839d1cbe71520b55a4ede70a9a9ee --- /dev/null +++ b/Mammals/Q3TRU2/Q3TRU2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c0a59307fe7bd5b82e2aee164ff05605429a8efb5916bb8a6e22c3d897563496 +size 5240276 diff --git a/Mammals/Q3TRU2/top.pdb b/Mammals/Q3TRU2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4ea96dc5e4310ea3c2884b795954ff3e488e4941 --- /dev/null +++ b/Mammals/Q3TRU2/top.pdb @@ -0,0 +1,41 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLU A 1 253.620 267.237 220.926 1.00 0.00 C +ATOM 2 CA GLU A 2 255.522 264.881 223.238 1.00 0.00 C +ATOM 3 CA GLN A 3 255.949 261.728 225.335 1.00 0.00 C +ATOM 4 CA PRO A 4 257.481 258.323 224.578 1.00 0.00 C +ATOM 5 CA MET A 5 256.801 254.583 224.315 1.00 0.00 C +ATOM 6 CA ALA A 6 256.531 250.946 225.417 1.00 0.00 C +ATOM 7 CA PRO A 7 257.415 250.711 229.116 1.00 0.00 C +ATOM 8 CA GLU A 8 259.949 248.811 231.235 1.00 0.00 C +ATOM 9 CA PRO A 9 260.037 246.990 234.580 1.00 0.00 C +ATOM 10 CA GLU A 10 262.009 247.377 237.817 1.00 0.00 C +ATOM 11 CA PRO A 11 259.720 246.889 240.823 1.00 0.00 C +ATOM 12 CA GLU A 12 256.779 246.431 243.201 1.00 0.00 C +ATOM 13 CA PRO A 13 252.969 246.411 243.175 1.00 0.00 C +ATOM 14 CA GLU A 14 250.757 244.927 245.899 1.00 0.00 C +ATOM 15 CA ARG A 15 248.276 246.651 248.220 1.00 0.00 C +ATOM 16 CA ALA A 16 247.017 249.070 250.881 1.00 0.00 C +ATOM 17 CA VAL A 17 246.722 249.083 254.680 1.00 0.00 C +ATOM 18 CA GLU A 18 248.961 247.556 257.357 1.00 0.00 C +ATOM 19 CA ASP A 19 250.998 249.011 260.229 1.00 0.00 C +ATOM 20 CA MET A 20 252.708 251.697 262.322 1.00 0.00 C +ATOM 21 CA GLY A 21 252.945 251.919 266.118 1.00 0.00 C +ATOM 22 CA SER A 22 251.917 253.963 269.165 1.00 0.00 C +ATOM 23 CA PRO A 23 251.878 257.771 269.048 1.00 0.00 C +ATOM 24 CA GLN A 24 248.850 259.024 270.991 1.00 0.00 C +ATOM 25 CA THR A 25 245.215 257.883 271.056 1.00 0.00 C +ATOM 26 CA ALA A 26 242.899 255.151 272.355 1.00 0.00 C +ATOM 27 CA LYS A 27 243.300 251.727 270.734 1.00 0.00 C +ATOM 28 CA GLU A 28 240.549 251.126 268.168 1.00 0.00 C +ATOM 29 CA GLY A 29 242.058 250.313 264.765 1.00 0.00 C +ATOM 30 CA PRO A 30 242.598 246.590 264.166 1.00 0.00 C +ATOM 31 CA SER A 31 244.561 244.292 261.845 1.00 0.00 C +ATOM 32 CA SER A 32 242.902 242.266 259.077 1.00 0.00 C +ATOM 33 CA LEU A 33 242.804 243.934 255.653 1.00 0.00 C +ATOM 34 CA ASN A 34 244.620 241.855 253.027 1.00 0.00 C +ATOM 35 CA LEU A 35 243.138 238.345 253.071 1.00 0.00 C +ATOM 36 CA GLN A 36 241.216 237.302 249.951 1.00 0.00 C +ATOM 37 CA GLY A 37 238.330 237.226 247.465 1.00 0.00 C +TER 38 GLY A 37 +END diff --git a/Mammals/Q3TTC8/Q3TTC8.dcd b/Mammals/Q3TTC8/Q3TTC8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f1eaf5acb6eb0b27ef76d61cb9c5ea2cf27927f1 --- /dev/null +++ b/Mammals/Q3TTC8/Q3TTC8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a1c9c4caa73a0e505c8b8d78efabdd571414bc37c32bf7de86064c1313397f5d +size 22520276 diff --git a/Mammals/Q3TTC8/top.pdb b/Mammals/Q3TTC8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b879846cb0ac8240abad4fcb9d307b446eecd8ca --- /dev/null +++ b/Mammals/Q3TTC8/top.pdb @@ -0,0 +1,185 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ARG A 1 254.308 236.064 255.553 1.00 0.00 C +ATOM 2 CA ARG A 2 257.781 237.040 256.778 1.00 0.00 C +ATOM 3 CA PHE A 3 260.178 237.162 253.818 1.00 0.00 C +ATOM 4 CA ARG A 4 263.822 238.237 253.537 1.00 0.00 C +ATOM 5 CA ARG A 5 266.140 241.150 254.350 1.00 0.00 C +ATOM 6 CA PHE A 6 269.691 242.350 255.034 1.00 0.00 C +ATOM 7 CA ILE A 7 272.966 243.700 253.630 1.00 0.00 C +ATOM 8 CA PRO A 8 276.430 243.022 255.064 1.00 0.00 C +ATOM 9 CA ARG A 9 277.616 245.840 257.339 1.00 0.00 C +ATOM 10 CA PRO A 10 279.952 248.732 256.505 1.00 0.00 C +ATOM 11 CA ARG A 11 278.204 251.803 255.080 1.00 0.00 C +ATOM 12 CA PRO A 12 274.798 253.039 253.901 1.00 0.00 C +ATOM 13 CA ALA A 13 274.821 256.799 254.516 1.00 0.00 C +ATOM 14 CA ALA A 14 273.965 260.334 255.648 1.00 0.00 C +ATOM 15 CA PRO A 15 272.699 262.326 258.640 1.00 0.00 C +ATOM 16 CA PRO A 16 271.031 261.706 262.009 1.00 0.00 C +ATOM 17 CA PRO A 17 273.813 262.262 264.553 1.00 0.00 C +ATOM 18 CA MET A 18 276.403 259.578 265.330 1.00 0.00 C +ATOM 19 CA VAL A 19 275.334 255.993 264.607 1.00 0.00 C +ATOM 20 CA ALA A 20 278.282 253.636 264.092 1.00 0.00 C +ATOM 21 CA GLU A 21 280.940 254.129 266.776 1.00 0.00 C +ATOM 22 CA ALA A 22 281.438 253.681 270.527 1.00 0.00 C +ATOM 23 CA PRO A 23 279.324 254.644 273.547 1.00 0.00 C +ATOM 24 CA SER A 24 279.486 254.096 277.314 1.00 0.00 C +ATOM 25 CA GLY A 25 282.358 253.590 279.766 1.00 0.00 C +ATOM 26 CA GLY A 26 283.805 250.107 279.228 1.00 0.00 C +ATOM 27 CA THR A 27 287.123 248.240 279.357 1.00 0.00 C +ATOM 28 CA GLU A 28 287.330 245.485 281.980 1.00 0.00 C +ATOM 29 CA PRO A 29 284.574 243.231 283.339 1.00 0.00 C +ATOM 30 CA GLY A 30 283.049 243.324 286.829 1.00 0.00 C +ATOM 31 CA SER A 31 284.053 246.138 289.193 1.00 0.00 C +ATOM 32 CA GLU A 32 282.251 249.352 288.226 1.00 0.00 C +ATOM 33 CA GLY A 33 278.876 249.702 289.960 1.00 0.00 C +ATOM 34 CA GLU A 34 275.871 248.661 292.058 1.00 0.00 C +ATOM 35 CA ARG A 35 273.802 251.733 292.948 1.00 0.00 C +ATOM 36 CA ALA A 36 270.207 252.675 293.789 1.00 0.00 C +ATOM 37 CA GLU A 37 267.208 251.599 291.700 1.00 0.00 C +ATOM 38 CA ASP A 38 268.027 249.456 288.659 1.00 0.00 C +ATOM 39 CA SER A 39 268.633 247.608 285.383 1.00 0.00 C +ATOM 40 CA GLY A 40 266.221 244.661 285.248 1.00 0.00 C +ATOM 41 CA GLN A 41 265.620 243.646 281.626 1.00 0.00 C +ATOM 42 CA ARG A 42 267.465 240.842 279.824 1.00 0.00 C +ATOM 43 CA PRO A 43 269.023 239.872 276.485 1.00 0.00 C +ATOM 44 CA ARG A 44 267.002 239.465 273.281 1.00 0.00 C +ATOM 45 CA ARG A 45 265.931 235.859 272.675 1.00 0.00 C +ATOM 46 CA ARG A 46 268.569 233.400 271.445 1.00 0.00 C +ATOM 47 CA ARG A 47 272.190 232.372 270.853 1.00 0.00 C +ATOM 48 CA PRO A 48 275.835 231.347 270.434 1.00 0.00 C +ATOM 49 CA PRO A 49 278.181 231.100 267.441 1.00 0.00 C +ATOM 50 CA PRO A 50 280.032 234.150 266.104 1.00 0.00 C +ATOM 51 CA PHE A 51 282.987 232.779 264.129 1.00 0.00 C +ATOM 52 CA PHE A 52 283.544 232.319 260.388 1.00 0.00 C +ATOM 53 CA TYR A 53 286.357 234.192 258.627 1.00 0.00 C +ATOM 54 CA ARG A 54 290.153 234.516 258.605 1.00 0.00 C +ATOM 55 CA ARG A 55 291.748 235.552 255.304 1.00 0.00 C +ATOM 56 CA ARG A 56 293.926 238.576 256.096 1.00 0.00 C +ATOM 57 CA PHE A 57 292.603 241.749 254.455 1.00 0.00 C +ATOM 58 CA VAL A 58 292.713 243.079 250.886 1.00 0.00 C +ATOM 59 CA ARG A 59 293.038 242.070 247.227 1.00 0.00 C +ATOM 60 CA GLY A 60 289.455 241.796 245.962 1.00 0.00 C +ATOM 61 CA PRO A 61 288.908 241.271 242.228 1.00 0.00 C +ATOM 62 CA ARG A 62 291.172 240.789 239.201 1.00 0.00 C +ATOM 63 CA PRO A 63 289.366 242.334 236.223 1.00 0.00 C +ATOM 64 CA PRO A 64 291.290 244.941 234.219 1.00 0.00 C +ATOM 65 CA ASN A 65 292.280 243.377 230.889 1.00 0.00 C +ATOM 66 CA GLN A 66 292.608 243.256 227.095 1.00 0.00 C +ATOM 67 CA GLN A 67 292.341 244.966 223.701 1.00 0.00 C +ATOM 68 CA GLN A 68 292.234 248.046 221.461 1.00 0.00 C +ATOM 69 CA PRO A 69 293.952 251.447 221.440 1.00 0.00 C +ATOM 70 CA ILE A 70 294.811 253.424 224.582 1.00 0.00 C +ATOM 71 CA GLU A 71 298.109 255.317 224.810 1.00 0.00 C +ATOM 72 CA GLY A 72 300.400 255.889 227.800 1.00 0.00 C +ATOM 73 CA SER A 73 298.039 256.298 230.762 1.00 0.00 C +ATOM 74 CA ASP A 74 297.083 255.485 234.359 1.00 0.00 C +ATOM 75 CA GLY A 75 293.923 256.349 236.306 1.00 0.00 C +ATOM 76 CA VAL A 76 292.069 255.657 239.561 1.00 0.00 C +ATOM 77 CA GLU A 77 289.283 253.231 240.494 1.00 0.00 C +ATOM 78 CA PRO A 78 286.991 252.112 243.325 1.00 0.00 C +ATOM 79 CA LYS A 79 283.722 253.476 244.729 1.00 0.00 C +ATOM 80 CA GLU A 80 283.202 251.854 248.137 1.00 0.00 C +ATOM 81 CA THR A 81 283.475 248.564 250.039 1.00 0.00 C +ATOM 82 CA ALA A 82 283.970 244.928 251.063 1.00 0.00 C +ATOM 83 CA PRO A 83 285.059 243.698 254.500 1.00 0.00 C +ATOM 84 CA LEU A 84 285.596 239.932 254.279 1.00 0.00 C +ATOM 85 CA GLU A 85 284.904 236.712 252.363 1.00 0.00 C +ATOM 86 CA GLY A 86 284.232 235.846 248.714 1.00 0.00 C +ATOM 87 CA ASP A 87 281.805 234.750 245.990 1.00 0.00 C +ATOM 88 CA GLN A 88 280.688 237.239 243.330 1.00 0.00 C +ATOM 89 CA GLN A 89 279.220 237.831 239.865 1.00 0.00 C +ATOM 90 CA GLN A 90 277.675 240.683 237.866 1.00 0.00 C +ATOM 91 CA GLY A 91 278.370 242.590 234.642 1.00 0.00 C +ATOM 92 CA ASP A 92 276.148 244.377 232.115 1.00 0.00 C +ATOM 93 CA GLU A 93 272.738 244.528 230.421 1.00 0.00 C +ATOM 94 CA ARG A 94 270.724 247.090 232.395 1.00 0.00 C +ATOM 95 CA VAL A 95 266.990 246.346 232.533 1.00 0.00 C +ATOM 96 CA PRO A 96 264.954 243.383 231.272 1.00 0.00 C +ATOM 97 CA PRO A 97 263.534 240.220 232.851 1.00 0.00 C +ATOM 98 CA PRO A 98 260.653 239.007 235.029 1.00 0.00 C +ATOM 99 CA ARG A 99 257.646 239.243 237.357 1.00 0.00 C +ATOM 100 CA PHE A 100 254.688 240.433 239.443 1.00 0.00 C +ATOM 101 CA ARG A 101 254.725 243.862 241.102 1.00 0.00 C +ATOM 102 CA PRO A 102 254.943 247.339 242.645 1.00 0.00 C +ATOM 103 CA ARG A 103 251.679 248.743 244.021 1.00 0.00 C +ATOM 104 CA TYR A 104 252.595 252.165 245.426 1.00 0.00 C +ATOM 105 CA ARG A 105 254.489 255.470 245.396 1.00 0.00 C +ATOM 106 CA ARG A 106 252.166 257.917 247.166 1.00 0.00 C +ATOM 107 CA PRO A 107 252.320 259.134 250.773 1.00 0.00 C +ATOM 108 CA PHE A 108 252.203 257.026 253.944 1.00 0.00 C +ATOM 109 CA ARG A 109 251.257 253.550 252.706 1.00 0.00 C +ATOM 110 CA PRO A 110 248.071 251.820 253.877 1.00 0.00 C +ATOM 111 CA ARG A 111 247.322 251.691 257.611 1.00 0.00 C +ATOM 112 CA PRO A 112 244.778 254.364 258.559 1.00 0.00 C +ATOM 113 CA PRO A 113 244.440 258.010 257.507 1.00 0.00 C +ATOM 114 CA GLN A 114 240.693 258.698 257.452 1.00 0.00 C +ATOM 115 CA GLN A 115 237.015 258.409 256.503 1.00 0.00 C +ATOM 116 CA PRO A 116 234.610 261.002 257.921 1.00 0.00 C +ATOM 117 CA THR A 117 231.112 260.107 259.138 1.00 0.00 C +ATOM 118 CA THR A 118 229.470 263.087 260.852 1.00 0.00 C +ATOM 119 CA GLU A 119 226.651 265.227 262.262 1.00 0.00 C +ATOM 120 CA GLY A 120 225.033 268.618 261.630 1.00 0.00 C +ATOM 121 CA GLY A 121 223.492 272.030 262.334 1.00 0.00 C +ATOM 122 CA ASP A 122 220.756 272.939 259.843 1.00 0.00 C +ATOM 123 CA GLY A 123 219.645 274.714 256.660 1.00 0.00 C +ATOM 124 CA GLU A 124 218.019 275.413 253.286 1.00 0.00 C +ATOM 125 CA THR A 125 214.550 276.963 253.571 1.00 0.00 C +ATOM 126 CA LYS A 126 212.411 278.978 251.146 1.00 0.00 C +ATOM 127 CA PRO A 127 209.418 278.097 248.961 1.00 0.00 C +ATOM 128 CA SER A 128 206.475 275.704 248.597 1.00 0.00 C +ATOM 129 CA GLN A 129 206.539 273.128 245.790 1.00 0.00 C +ATOM 130 CA GLY A 130 206.733 271.455 242.373 1.00 0.00 C +ATOM 131 CA PRO A 131 203.709 272.367 240.242 1.00 0.00 C +ATOM 132 CA THR A 132 203.355 270.172 237.148 1.00 0.00 C +ATOM 133 CA ASP A 133 202.425 267.731 234.375 1.00 0.00 C +ATOM 134 CA GLY A 134 203.783 267.025 230.886 1.00 0.00 C +ATOM 135 CA SER A 135 206.536 264.422 231.285 1.00 0.00 C +ATOM 136 CA ARG A 136 208.651 263.863 228.166 1.00 0.00 C +ATOM 137 CA PRO A 137 210.287 260.914 226.394 1.00 0.00 C +ATOM 138 CA GLU A 138 212.461 257.831 226.929 1.00 0.00 C +ATOM 139 CA PRO A 139 214.786 256.322 224.316 1.00 0.00 C +ATOM 140 CA GLN A 140 218.409 257.471 224.574 1.00 0.00 C +ATOM 141 CA ARG A 141 221.549 255.721 225.837 1.00 0.00 C +ATOM 142 CA PRO A 142 221.974 252.550 223.768 1.00 0.00 C +ATOM 143 CA ARG A 143 221.720 248.807 223.105 1.00 0.00 C +ATOM 144 CA ASN A 144 224.716 246.735 224.224 1.00 0.00 C +ATOM 145 CA ARG A 145 224.975 246.297 227.999 1.00 0.00 C +ATOM 146 CA PRO A 146 221.600 246.741 229.711 1.00 0.00 C +ATOM 147 CA TYR A 147 220.119 250.251 229.790 1.00 0.00 C +ATOM 148 CA PHE A 148 216.494 251.068 230.629 1.00 0.00 C +ATOM 149 CA GLN A 149 214.198 249.245 233.064 1.00 0.00 C +ATOM 150 CA ARG A 150 210.495 248.494 233.554 1.00 0.00 C +ATOM 151 CA ARG A 151 209.330 251.005 236.172 1.00 0.00 C +ATOM 152 CA ARG A 152 205.949 251.269 237.908 1.00 0.00 C +ATOM 153 CA GLN A 153 204.990 248.730 240.582 1.00 0.00 C +ATOM 154 CA GLN A 154 201.453 248.795 241.998 1.00 0.00 C +ATOM 155 CA PRO A 155 201.090 245.694 244.182 1.00 0.00 C +ATOM 156 CA PRO A 156 198.362 243.955 246.193 1.00 0.00 C +ATOM 157 CA GLY A 157 195.978 244.214 249.155 1.00 0.00 C +ATOM 158 CA PRO A 158 196.936 243.827 252.822 1.00 0.00 C +ATOM 159 CA ARG A 159 197.142 246.801 255.195 1.00 0.00 C +ATOM 160 CA GLN A 160 198.001 250.236 256.601 1.00 0.00 C +ATOM 161 CA PRO A 161 196.080 252.688 254.407 1.00 0.00 C +ATOM 162 CA ILE A 162 193.176 251.855 252.086 1.00 0.00 C +ATOM 163 CA ALA A 163 189.770 253.342 251.244 1.00 0.00 C +ATOM 164 CA ALA A 164 188.720 254.698 247.842 1.00 0.00 C +ATOM 165 CA GLU A 165 186.321 252.669 245.687 1.00 0.00 C +ATOM 166 CA THR A 166 183.775 254.268 243.347 1.00 0.00 C +ATOM 167 CA SER A 167 183.838 253.729 239.576 1.00 0.00 C +ATOM 168 CA ALA A 168 186.103 256.475 238.215 1.00 0.00 C +ATOM 169 CA PRO A 169 189.807 257.045 238.899 1.00 0.00 C +ATOM 170 CA ILE A 170 191.942 256.020 241.883 1.00 0.00 C +ATOM 171 CA ASN A 171 195.538 255.839 240.637 1.00 0.00 C +ATOM 172 CA SER A 172 198.013 253.351 239.153 1.00 0.00 C +ATOM 173 CA GLY A 173 196.946 251.026 236.330 1.00 0.00 C +ATOM 174 CA ASP A 174 194.583 249.187 233.974 1.00 0.00 C +ATOM 175 CA PRO A 175 193.530 245.703 232.846 1.00 0.00 C +ATOM 176 CA PRO A 176 193.266 242.494 230.809 1.00 0.00 C +ATOM 177 CA THR A 177 193.573 238.705 231.070 1.00 0.00 C +ATOM 178 CA THR A 178 190.884 236.239 232.166 1.00 0.00 C +ATOM 179 CA ILE A 179 188.373 235.248 229.478 1.00 0.00 C +ATOM 180 CA LEU A 180 185.211 233.151 229.820 1.00 0.00 C +ATOM 181 CA GLU A 181 181.428 233.565 229.633 1.00 0.00 C +TER 182 GLU A 181 +END diff --git a/Mammals/Q3TUC6/Q3TUC6.dcd b/Mammals/Q3TUC6/Q3TUC6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d15dfe8edc7b9188882017a5533ab411d56317a4 --- /dev/null +++ b/Mammals/Q3TUC6/Q3TUC6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c106fe9f322b49823b4b4e725e9ae987ec4a2b3a6cc1c953f677e2164075d0b7 +size 5600276 diff --git a/Mammals/Q3TUC6/top.pdb b/Mammals/Q3TUC6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f0459fb0611ba2736c7443a55b0d498c4aa96abe --- /dev/null +++ b/Mammals/Q3TUC6/top.pdb @@ -0,0 +1,44 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA THR A 1 246.663 243.435 243.795 1.00 0.00 C +ATOM 2 CA GLY A 2 242.872 243.668 244.089 1.00 0.00 C +ATOM 3 CA ASP A 3 239.505 241.948 244.560 1.00 0.00 C +ATOM 4 CA PRO A 4 235.989 243.030 243.568 1.00 0.00 C +ATOM 5 CA SER A 5 233.611 246.003 243.431 1.00 0.00 C +ATOM 6 CA THR A 6 235.305 249.375 243.954 1.00 0.00 C +ATOM 7 CA PRO A 7 236.720 252.750 245.017 1.00 0.00 C +ATOM 8 CA ASN A 8 240.512 252.386 245.065 1.00 0.00 C +ATOM 9 CA GLN A 9 243.372 251.610 242.670 1.00 0.00 C +ATOM 10 CA GLN A 10 243.147 252.326 238.935 1.00 0.00 C +ATOM 11 CA LEU A 11 244.840 255.395 237.440 1.00 0.00 C +ATOM 12 CA ASP A 12 246.335 258.263 239.454 1.00 0.00 C +ATOM 13 CA PRO A 13 249.676 258.935 237.751 1.00 0.00 C +ATOM 14 CA HIS A 14 253.226 258.306 238.986 1.00 0.00 C +ATOM 15 CA ALA A 15 253.094 256.306 242.225 1.00 0.00 C +ATOM 16 CA PRO A 16 251.661 253.903 244.812 1.00 0.00 C +ATOM 17 CA ARG A 17 251.379 250.149 244.225 1.00 0.00 C +ATOM 18 CA ALA A 18 252.054 247.053 246.339 1.00 0.00 C +ATOM 19 CA PRO A 19 252.891 246.869 250.052 1.00 0.00 C +ATOM 20 CA SER A 20 253.099 250.409 251.444 1.00 0.00 C +ATOM 21 CA ALA A 21 250.670 253.258 252.153 1.00 0.00 C +ATOM 22 CA SER A 22 246.970 252.749 252.907 1.00 0.00 C +ATOM 23 CA SER A 23 244.467 249.914 253.364 1.00 0.00 C +ATOM 24 CA LEU A 24 245.949 246.408 253.199 1.00 0.00 C +ATOM 25 CA PRO A 25 246.225 243.548 255.701 1.00 0.00 C +ATOM 26 CA PRO A 26 248.821 244.555 258.302 1.00 0.00 C +ATOM 27 CA SER A 27 249.377 248.322 258.425 1.00 0.00 C +ATOM 28 CA PRO A 28 250.041 252.064 258.697 1.00 0.00 C +ATOM 29 CA GLY A 29 251.915 255.039 260.164 1.00 0.00 C +ATOM 30 CA PRO A 30 255.607 255.747 259.539 1.00 0.00 C +ATOM 31 CA ASN A 31 257.916 256.615 262.442 1.00 0.00 C +ATOM 32 CA SER A 32 259.365 253.702 264.424 1.00 0.00 C +ATOM 33 CA ARG A 33 259.050 250.004 265.283 1.00 0.00 C +ATOM 34 CA SER A 34 260.722 248.139 262.413 1.00 0.00 C +ATOM 35 CA PRO A 35 263.380 248.346 259.691 1.00 0.00 C +ATOM 36 CA ASN A 36 262.831 249.335 256.053 1.00 0.00 C +ATOM 37 CA GLN A 37 261.823 246.150 254.220 1.00 0.00 C +ATOM 38 CA GLN A 38 259.062 245.783 251.621 1.00 0.00 C +ATOM 39 CA ASN A 39 260.716 245.006 248.278 1.00 0.00 C +ATOM 40 CA GLN A 40 259.142 243.201 245.314 1.00 0.00 C +TER 41 GLN A 40 +END diff --git a/Mammals/Q3TUH3/Q3TUH3.dcd b/Mammals/Q3TUH3/Q3TUH3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..ef8450230640b35b34564bb1e00c7cda60ab6d94 --- /dev/null +++ b/Mammals/Q3TUH3/Q3TUH3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b83706584f877e6472624e0ec5b04b02907e8dd84ff9ac40ed902b69b920f9cb +size 7280276 diff --git a/Mammals/Q3TUH3/top.pdb b/Mammals/Q3TUH3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..11aa51b225c29d4cafa497b0cfddacecc173bf0f --- /dev/null +++ b/Mammals/Q3TUH3/top.pdb @@ -0,0 +1,58 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 232.875 233.116 270.140 1.00 0.00 C +ATOM 2 CA ALA A 2 234.683 235.732 268.042 1.00 0.00 C +ATOM 3 CA ASN A 3 237.420 236.318 265.457 1.00 0.00 C +ATOM 4 CA LEU A 4 239.746 238.535 263.410 1.00 0.00 C +ATOM 5 CA GLU A 5 238.768 241.979 262.106 1.00 0.00 C +ATOM 6 CA GLU A 6 240.972 244.832 260.875 1.00 0.00 C +ATOM 7 CA SER A 7 240.923 248.331 262.382 1.00 0.00 C +ATOM 8 CA PHE A 8 239.387 249.468 265.678 1.00 0.00 C +ATOM 9 CA PRO A 9 240.415 247.037 268.424 1.00 0.00 C +ATOM 10 CA ARG A 10 242.182 244.938 271.068 1.00 0.00 C +ATOM 11 CA GLY A 11 242.227 241.333 272.299 1.00 0.00 C +ATOM 12 CA GLY A 12 242.971 238.088 270.447 1.00 0.00 C +ATOM 13 CA THR A 13 242.761 234.971 268.265 1.00 0.00 C +ATOM 14 CA ARG A 14 243.247 232.621 265.306 1.00 0.00 C +ATOM 15 CA LYS A 15 244.733 231.486 261.986 1.00 0.00 C +ATOM 16 CA LEU A 16 246.954 232.573 259.088 1.00 0.00 C +ATOM 17 CA HIS A 17 246.858 236.293 258.272 1.00 0.00 C +ATOM 18 CA LYS A 18 249.884 237.675 256.415 1.00 0.00 C +ATOM 19 CA SER A 19 250.141 240.321 253.686 1.00 0.00 C +ATOM 20 CA GLU A 20 247.894 243.383 253.376 1.00 0.00 C +ATOM 21 CA LYS A 21 247.900 247.053 252.353 1.00 0.00 C +ATOM 22 CA SER A 22 245.214 249.490 251.187 1.00 0.00 C +ATOM 23 CA SER A 23 244.719 251.831 248.222 1.00 0.00 C +ATOM 24 CA GLN A 24 242.025 252.802 245.709 1.00 0.00 C +ATOM 25 CA GLN A 25 240.650 251.193 242.540 1.00 0.00 C +ATOM 26 CA VAL A 26 241.254 247.922 240.682 1.00 0.00 C +ATOM 27 CA VAL A 27 242.565 244.358 240.986 1.00 0.00 C +ATOM 28 CA GLU A 28 245.536 242.743 242.742 1.00 0.00 C +ATOM 29 CA GLN A 29 248.694 244.786 242.135 1.00 0.00 C +ATOM 30 CA ASP A 30 252.284 244.078 241.076 1.00 0.00 C +ATOM 31 CA ASN A 31 254.210 245.017 237.925 1.00 0.00 C +ATOM 32 CA LEU A 32 253.843 248.576 236.614 1.00 0.00 C +ATOM 33 CA PHE A 33 256.237 251.396 235.700 1.00 0.00 C +ATOM 34 CA ASP A 34 257.931 254.804 235.521 1.00 0.00 C +ATOM 35 CA VAL A 35 261.326 254.652 233.797 1.00 0.00 C +ATOM 36 CA SER A 36 262.836 257.333 231.552 1.00 0.00 C +ATOM 37 CA THR A 37 263.180 261.064 232.244 1.00 0.00 C +ATOM 38 CA GLU A 38 265.082 261.804 235.461 1.00 0.00 C +ATOM 39 CA GLU A 39 268.398 260.109 236.267 1.00 0.00 C +ATOM 40 CA GLY A 40 270.618 259.061 239.181 1.00 0.00 C +ATOM 41 CA PRO A 41 270.528 260.365 242.760 1.00 0.00 C +ATOM 42 CA ILE A 42 267.303 261.719 244.271 1.00 0.00 C +ATOM 43 CA LYS A 43 267.750 261.864 248.052 1.00 0.00 C +ATOM 44 CA ARG A 44 264.721 262.940 250.098 1.00 0.00 C +ATOM 45 CA LYS A 45 261.211 262.039 248.921 1.00 0.00 C +ATOM 46 CA LYS A 46 259.128 264.530 246.928 1.00 0.00 C +ATOM 47 CA SER A 47 256.993 267.684 247.019 1.00 0.00 C +ATOM 48 CA GLN A 48 255.657 268.278 243.500 1.00 0.00 C +ATOM 49 CA LYS A 49 254.396 265.293 241.496 1.00 0.00 C +ATOM 50 CA GLY A 50 251.311 263.865 239.777 1.00 0.00 C +ATOM 51 CA PRO A 51 247.841 264.125 241.330 1.00 0.00 C +ATOM 52 CA ALA A 52 245.850 261.991 243.779 1.00 0.00 C +ATOM 53 CA LYS A 53 243.306 259.225 243.153 1.00 0.00 C +ATOM 54 CA THR A 54 244.462 256.981 240.299 1.00 0.00 C +TER 55 THR A 54 +END diff --git a/Mammals/Q3TUQ9/Q3TUQ9.dcd b/Mammals/Q3TUQ9/Q3TUQ9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c18d6d15e46dda899292e4f14dd9538c3a9a9dbf --- /dev/null +++ b/Mammals/Q3TUQ9/Q3TUQ9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ded0c75dbac1976cc3cb2491158ef7fdcb6d813de79c3be54e992d35c4bfe370 +size 5600276 diff --git a/Mammals/Q3TUQ9/top.pdb b/Mammals/Q3TUQ9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..19328ce8dffe9f5595a9aa8e93ba7ac57566cb72 --- /dev/null +++ b/Mammals/Q3TUQ9/top.pdb @@ -0,0 +1,44 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 266.710 273.427 216.654 1.00 0.00 C +ATOM 2 CA ALA A 2 267.370 272.777 220.350 1.00 0.00 C +ATOM 3 CA GLN A 3 264.611 271.111 222.381 1.00 0.00 C +ATOM 4 CA TRP A 4 261.803 272.041 224.783 1.00 0.00 C +ATOM 5 CA VAL A 5 261.541 269.789 227.845 1.00 0.00 C +ATOM 6 CA ARG A 6 261.516 268.104 231.262 1.00 0.00 C +ATOM 7 CA ALA A 7 261.250 264.320 231.616 1.00 0.00 C +ATOM 8 CA PRO A 8 258.391 262.598 233.454 1.00 0.00 C +ATOM 9 CA ASP A 9 255.512 260.118 233.168 1.00 0.00 C +ATOM 10 CA CYS A 10 252.136 261.130 234.614 1.00 0.00 C +ATOM 11 CA SER A 11 248.795 262.915 234.205 1.00 0.00 C +ATOM 12 CA SER A 12 246.120 264.582 232.064 1.00 0.00 C +ATOM 13 CA GLU A 13 242.635 263.900 233.443 1.00 0.00 C +ATOM 14 CA GLY A 14 241.016 262.437 236.567 1.00 0.00 C +ATOM 15 CA PRO A 15 242.417 258.911 236.915 1.00 0.00 C +ATOM 16 CA GLU A 16 241.105 256.326 234.443 1.00 0.00 C +ATOM 17 CA PHE A 17 242.206 252.763 235.226 1.00 0.00 C +ATOM 18 CA LYS A 18 243.616 249.990 237.424 1.00 0.00 C +ATOM 19 CA THR A 19 243.091 246.738 239.339 1.00 0.00 C +ATOM 20 CA GLN A 20 244.002 246.521 243.033 1.00 0.00 C +ATOM 21 CA GLN A 21 243.576 245.304 246.618 1.00 0.00 C +ATOM 22 CA PRO A 22 245.954 245.605 249.579 1.00 0.00 C +ATOM 23 CA HIS A 23 246.389 247.018 253.091 1.00 0.00 C +ATOM 24 CA GLY A 24 245.141 248.404 256.413 1.00 0.00 C +ATOM 25 CA ARG A 25 244.022 246.368 259.432 1.00 0.00 C +ATOM 26 CA SER A 26 242.529 243.740 261.752 1.00 0.00 C +ATOM 27 CA GLN A 27 241.730 241.438 264.681 1.00 0.00 C +ATOM 28 CA PRO A 28 240.642 241.260 268.328 1.00 0.00 C +ATOM 29 CA SER A 29 240.812 237.836 269.991 1.00 0.00 C +ATOM 30 CA GLU A 30 242.492 236.886 273.276 1.00 0.00 C +ATOM 31 CA THR A 31 245.552 237.072 275.538 1.00 0.00 C +ATOM 32 CA LYS A 32 247.278 240.328 276.505 1.00 0.00 C +ATOM 33 CA SER A 33 250.098 240.475 279.063 1.00 0.00 C +ATOM 34 CA ASP A 34 253.085 238.110 279.083 1.00 0.00 C +ATOM 35 CA SER A 35 253.883 235.827 276.139 1.00 0.00 C +ATOM 36 CA LEU A 36 254.744 232.191 276.886 1.00 0.00 C +ATOM 37 CA PHE A 37 255.791 228.559 276.410 1.00 0.00 C +ATOM 38 CA TRP A 38 255.942 226.311 273.337 1.00 0.00 C +ATOM 39 CA SER A 39 253.706 223.257 273.767 1.00 0.00 C +ATOM 40 CA VAL A 40 250.793 223.513 271.325 1.00 0.00 C +TER 41 VAL A 40 +END diff --git a/Mammals/Q3TVA3/Q3TVA3.dcd b/Mammals/Q3TVA3/Q3TVA3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..1075fc96dceebfc6f59a178d2e16889877ed601e --- /dev/null +++ b/Mammals/Q3TVA3/Q3TVA3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e7a4fc01756d40bbc9446729916499f714cf1c3b2fb421fdc1c073a90121149a +size 15680276 diff --git a/Mammals/Q3TVA3/top.pdb b/Mammals/Q3TVA3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0513d44dccfcb9238731a9b0a20d4d7747ae9be1 --- /dev/null +++ b/Mammals/Q3TVA3/top.pdb @@ -0,0 +1,128 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 226.658 283.945 246.654 1.00 0.00 C +ATOM 2 CA THR A 2 228.288 282.897 243.374 1.00 0.00 C +ATOM 3 CA THR A 3 230.751 280.552 241.658 1.00 0.00 C +ATOM 4 CA LEU A 4 229.492 277.034 242.405 1.00 0.00 C +ATOM 5 CA ASP A 5 230.732 275.459 245.645 1.00 0.00 C +ATOM 6 CA HIS A 6 232.466 272.094 246.078 1.00 0.00 C +ATOM 7 CA VAL A 7 230.981 268.635 245.494 1.00 0.00 C +ATOM 8 CA ILE A 8 232.230 265.973 247.917 1.00 0.00 C +ATOM 9 CA ALA A 9 231.532 262.248 247.524 1.00 0.00 C +ATOM 10 CA THR A 10 230.350 258.638 247.223 1.00 0.00 C +ATOM 11 CA HIS A 11 232.077 256.867 244.326 1.00 0.00 C +ATOM 12 CA GLN A 12 235.013 254.529 244.980 1.00 0.00 C +ATOM 13 CA SER A 13 238.643 253.389 245.184 1.00 0.00 C +ATOM 14 CA GLU A 14 240.694 252.262 242.178 1.00 0.00 C +ATOM 15 CA TRP A 15 244.364 251.238 242.201 1.00 0.00 C +ATOM 16 CA VAL A 16 248.150 251.056 242.590 1.00 0.00 C +ATOM 17 CA SER A 17 250.410 248.256 241.336 1.00 0.00 C +ATOM 18 CA PHE A 18 252.920 246.579 239.013 1.00 0.00 C +ATOM 19 CA SER A 19 255.643 244.096 239.981 1.00 0.00 C +ATOM 20 CA GLU A 20 255.954 241.222 242.463 1.00 0.00 C +ATOM 21 CA GLU A 21 255.445 237.638 243.649 1.00 0.00 C +ATOM 22 CA PRO A 22 254.342 235.932 246.873 1.00 0.00 C +ATOM 23 CA LEU A 23 251.213 236.375 249.001 1.00 0.00 C +ATOM 24 CA PHE A 24 249.031 233.361 249.819 1.00 0.00 C +ATOM 25 CA PRO A 25 249.532 232.707 253.539 1.00 0.00 C +ATOM 26 CA THR A 26 251.809 232.719 256.595 1.00 0.00 C +ATOM 27 CA PRO A 27 251.810 235.383 259.318 1.00 0.00 C +ATOM 28 CA LEU A 28 248.753 237.632 258.980 1.00 0.00 C +ATOM 29 CA GLU A 29 247.658 238.341 255.401 1.00 0.00 C +ATOM 30 CA GLY A 30 246.121 241.827 255.408 1.00 0.00 C +ATOM 31 CA GLY A 31 247.221 245.466 255.668 1.00 0.00 C +ATOM 32 CA THR A 32 250.982 245.407 256.275 1.00 0.00 C +ATOM 33 CA GLU A 33 254.134 246.996 254.842 1.00 0.00 C +ATOM 34 CA GLU A 34 254.257 250.082 252.611 1.00 0.00 C +ATOM 35 CA HIS A 35 251.165 250.094 250.385 1.00 0.00 C +ATOM 36 CA PHE A 36 248.733 247.243 249.697 1.00 0.00 C +ATOM 37 CA PRO A 37 245.093 246.146 249.451 1.00 0.00 C +ATOM 38 CA GLY A 38 242.257 247.919 251.278 1.00 0.00 C +ATOM 39 CA LEU A 39 238.954 246.760 249.773 1.00 0.00 C +ATOM 40 CA SER A 40 236.952 244.395 251.989 1.00 0.00 C +ATOM 41 CA SER A 41 235.603 243.212 255.350 1.00 0.00 C +ATOM 42 CA SER A 42 235.638 245.115 258.650 1.00 0.00 C +ATOM 43 CA SER A 43 238.351 244.684 261.290 1.00 0.00 C +ATOM 44 CA GLU A 44 239.828 242.945 264.342 1.00 0.00 C +ATOM 45 CA ARG A 45 239.171 239.219 263.896 1.00 0.00 C +ATOM 46 CA SER A 46 239.944 237.071 260.845 1.00 0.00 C +ATOM 47 CA GLU A 47 237.598 235.455 258.315 1.00 0.00 C +ATOM 48 CA SER A 48 235.917 236.202 254.978 1.00 0.00 C +ATOM 49 CA SER A 49 237.398 235.497 251.539 1.00 0.00 C +ATOM 50 CA SER A 50 240.155 232.868 251.607 1.00 0.00 C +ATOM 51 CA GLY A 51 240.708 231.031 248.315 1.00 0.00 C +ATOM 52 CA GLU A 52 243.903 231.585 246.315 1.00 0.00 C +ATOM 53 CA ASN A 53 246.094 232.882 243.481 1.00 0.00 C +ATOM 54 CA HIS A 54 247.257 236.099 241.803 1.00 0.00 C +ATOM 55 CA VAL A 55 247.930 239.820 241.336 1.00 0.00 C +ATOM 56 CA VAL A 56 245.499 242.593 242.293 1.00 0.00 C +ATOM 57 CA ASP A 57 242.189 241.776 243.993 1.00 0.00 C +ATOM 58 CA GLU A 58 239.321 244.284 243.949 1.00 0.00 C +ATOM 59 CA GLY A 59 237.168 243.558 240.890 1.00 0.00 C +ATOM 60 CA SER A 60 239.367 242.738 237.889 1.00 0.00 C +ATOM 61 CA GLN A 61 241.571 242.712 234.782 1.00 0.00 C +ATOM 62 CA ASP A 62 245.221 242.861 235.864 1.00 0.00 C +ATOM 63 CA LEU A 63 246.249 246.247 237.275 1.00 0.00 C +ATOM 64 CA SER A 64 246.453 249.388 235.128 1.00 0.00 C +ATOM 65 CA HIS A 65 243.361 250.693 233.326 1.00 0.00 C +ATOM 66 CA SER A 66 241.670 253.162 230.968 1.00 0.00 C +ATOM 67 CA GLU A 67 239.618 255.747 229.064 1.00 0.00 C +ATOM 68 CA GLN A 68 236.065 254.374 228.999 1.00 0.00 C +ATOM 69 CA ASP A 69 232.813 253.419 230.738 1.00 0.00 C +ATOM 70 CA ASP A 70 230.775 253.276 233.955 1.00 0.00 C +ATOM 71 CA SER A 71 226.984 253.301 234.332 1.00 0.00 C +ATOM 72 CA SER A 72 225.451 256.686 233.489 1.00 0.00 C +ATOM 73 CA GLU A 73 224.335 259.552 235.738 1.00 0.00 C +ATOM 74 CA LYS A 74 223.083 262.865 234.334 1.00 0.00 C +ATOM 75 CA MET A 75 224.414 265.749 232.230 1.00 0.00 C +ATOM 76 CA GLY A 76 228.202 265.351 232.330 1.00 0.00 C +ATOM 77 CA LEU A 77 228.988 262.855 229.561 1.00 0.00 C +ATOM 78 CA ILE A 78 229.696 259.601 227.710 1.00 0.00 C +ATOM 79 CA SER A 79 230.772 260.096 224.089 1.00 0.00 C +ATOM 80 CA GLU A 80 234.443 261.110 224.214 1.00 0.00 C +ATOM 81 CA ALA A 81 235.236 263.148 227.333 1.00 0.00 C +ATOM 82 CA ALA A 82 237.096 261.864 230.400 1.00 0.00 C +ATOM 83 CA SER A 83 238.177 264.042 233.334 1.00 0.00 C +ATOM 84 CA PRO A 84 237.265 262.809 236.821 1.00 0.00 C +ATOM 85 CA PRO A 85 234.473 264.004 239.122 1.00 0.00 C +ATOM 86 CA GLY A 86 235.071 263.945 242.884 1.00 0.00 C +ATOM 87 CA SER A 87 238.319 262.065 243.541 1.00 0.00 C +ATOM 88 CA PRO A 88 240.002 261.052 246.806 1.00 0.00 C +ATOM 89 CA VAL A 89 241.985 263.864 248.444 1.00 0.00 C +ATOM 90 CA GLN A 90 245.702 264.688 248.314 1.00 0.00 C +ATOM 91 CA PRO A 91 248.190 263.825 251.067 1.00 0.00 C +ATOM 92 CA THR A 92 250.125 261.016 252.764 1.00 0.00 C +ATOM 93 CA PRO A 93 252.440 261.003 255.790 1.00 0.00 C +ATOM 94 CA ASP A 94 254.240 263.292 258.247 1.00 0.00 C +ATOM 95 CA LEU A 95 256.850 264.817 260.567 1.00 0.00 C +ATOM 96 CA ALA A 96 260.595 265.515 260.474 1.00 0.00 C +ATOM 97 CA SER A 97 263.458 263.109 259.744 1.00 0.00 C +ATOM 98 CA ALA A 98 266.429 265.291 258.781 1.00 0.00 C +ATOM 99 CA ILE A 99 269.524 264.153 260.689 1.00 0.00 C +ATOM 100 CA SER A 100 270.582 262.311 263.852 1.00 0.00 C +ATOM 101 CA ASN A 101 267.740 260.364 265.479 1.00 0.00 C +ATOM 102 CA TRP A 102 265.300 257.951 267.135 1.00 0.00 C +ATOM 103 CA VAL A 103 264.747 254.243 267.812 1.00 0.00 C +ATOM 104 CA GLN A 104 267.500 251.670 268.371 1.00 0.00 C +ATOM 105 CA PHE A 105 270.844 253.481 268.131 1.00 0.00 C +ATOM 106 CA GLU A 106 273.798 251.365 269.276 1.00 0.00 C +ATOM 107 CA ASP A 107 276.491 250.007 266.948 1.00 0.00 C +ATOM 108 CA ASP A 108 277.179 246.470 265.710 1.00 0.00 C +ATOM 109 CA THR A 109 280.226 244.908 264.039 1.00 0.00 C +ATOM 110 CA PRO A 110 281.199 241.227 264.165 1.00 0.00 C +ATOM 111 CA TRP A 111 281.224 237.736 265.693 1.00 0.00 C +ATOM 112 CA SER A 112 281.273 233.934 265.926 1.00 0.00 C +ATOM 113 CA SER A 113 283.160 231.098 264.220 1.00 0.00 C +ATOM 114 CA THR A 114 285.942 230.128 261.804 1.00 0.00 C +ATOM 115 CA SER A 115 289.467 230.073 263.248 1.00 0.00 C +ATOM 116 CA PRO A 116 291.000 233.403 262.211 1.00 0.00 C +ATOM 117 CA PRO A 117 294.420 233.520 263.885 1.00 0.00 C +ATOM 118 CA GLN A 118 296.004 235.724 266.559 1.00 0.00 C +ATOM 119 CA GLN A 119 295.431 238.047 269.524 1.00 0.00 C +ATOM 120 CA GLY A 120 295.506 238.290 273.326 1.00 0.00 C +ATOM 121 CA ASN A 121 297.215 237.224 276.560 1.00 0.00 C +ATOM 122 CA ARG A 122 295.807 235.140 279.421 1.00 0.00 C +ATOM 123 CA LEU A 123 294.462 231.809 280.690 1.00 0.00 C +ATOM 124 CA LYS A 124 296.289 229.308 282.909 1.00 0.00 C +TER 125 LYS A 124 +END diff --git a/Mammals/Q3TVC3/Q3TVC3.dcd b/Mammals/Q3TVC3/Q3TVC3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..59d04f237baf7435298a46e2f44150048d25b6be --- /dev/null +++ b/Mammals/Q3TVC3/Q3TVC3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0e7c72aa325ee79aebcd345f05b8d95b2bd896d05210190fff444b94aebb677e +size 8000276 diff --git a/Mammals/Q3TVC3/top.pdb b/Mammals/Q3TVC3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e80ccd60161832f78dbfb35566553be94319f2e9 --- /dev/null +++ b/Mammals/Q3TVC3/top.pdb @@ -0,0 +1,64 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 276.234 255.801 253.437 1.00 0.00 C +ATOM 2 CA ARG A 2 276.464 252.030 252.942 1.00 0.00 C +ATOM 3 CA THR A 3 277.936 248.546 253.404 1.00 0.00 C +ATOM 4 CA PHE A 4 278.546 246.432 256.514 1.00 0.00 C +ATOM 5 CA ILE A 5 275.529 244.164 257.037 1.00 0.00 C +ATOM 6 CA LEU A 6 275.939 241.322 254.533 1.00 0.00 C +ATOM 7 CA ASP A 7 273.991 238.685 252.593 1.00 0.00 C +ATOM 8 CA ALA A 8 272.580 235.215 251.897 1.00 0.00 C +ATOM 9 CA GLY A 9 272.144 234.361 248.209 1.00 0.00 C +ATOM 10 CA GLY A 10 271.107 235.286 244.662 1.00 0.00 C +ATOM 11 CA ILE A 11 272.443 238.804 244.068 1.00 0.00 C +ATOM 12 CA HIS A 12 273.877 242.178 243.029 1.00 0.00 C +ATOM 13 CA THR A 13 273.474 243.715 239.566 1.00 0.00 C +ATOM 14 CA GLU A 14 269.905 244.858 238.876 1.00 0.00 C +ATOM 15 CA ALA A 15 266.141 245.443 238.955 1.00 0.00 C +ATOM 16 CA SER A 16 263.654 248.214 239.763 1.00 0.00 C +ATOM 17 CA ALA A 17 259.889 247.818 240.189 1.00 0.00 C +ATOM 18 CA ASP A 18 258.998 244.207 239.362 1.00 0.00 C +ATOM 19 CA SER A 19 256.650 242.021 241.417 1.00 0.00 C +ATOM 20 CA PRO A 20 253.555 240.236 242.741 1.00 0.00 C +ATOM 21 CA PRO A 21 253.748 239.620 246.496 1.00 0.00 C +ATOM 22 CA ALA A 22 254.759 242.976 247.988 1.00 0.00 C +ATOM 23 CA PHE A 23 253.370 243.471 251.501 1.00 0.00 C +ATOM 24 CA SER A 24 250.536 241.027 252.220 1.00 0.00 C +ATOM 25 CA ASP A 25 247.017 242.472 252.021 1.00 0.00 C +ATOM 26 CA LYS A 26 243.363 242.722 253.074 1.00 0.00 C +ATOM 27 CA LYS A 27 240.664 245.284 253.890 1.00 0.00 C +ATOM 28 CA ASP A 28 238.989 244.615 257.247 1.00 0.00 C +ATOM 29 CA GLN A 29 235.213 244.977 256.889 1.00 0.00 C +ATOM 30 CA ILE A 30 232.379 246.592 258.858 1.00 0.00 C +ATOM 31 CA THR A 31 230.557 249.810 259.774 1.00 0.00 C +ATOM 32 CA LYS A 32 230.632 252.634 262.330 1.00 0.00 C +ATOM 33 CA SER A 33 231.136 254.178 265.777 1.00 0.00 C +ATOM 34 CA PRO A 34 234.549 254.015 267.463 1.00 0.00 C +ATOM 35 CA ALA A 35 237.807 252.398 266.327 1.00 0.00 C +ATOM 36 CA GLU A 36 240.936 252.465 264.156 1.00 0.00 C +ATOM 37 CA VAL A 37 242.798 251.340 261.028 1.00 0.00 C +ATOM 38 CA THR A 38 243.729 249.712 257.711 1.00 0.00 C +ATOM 39 CA ASP A 39 246.402 250.670 255.170 1.00 0.00 C +ATOM 40 CA ILE A 40 245.557 250.163 251.490 1.00 0.00 C +ATOM 41 CA GLY A 41 242.281 249.996 249.552 1.00 0.00 C +ATOM 42 CA PHE A 42 241.542 251.184 246.008 1.00 0.00 C +ATOM 43 CA GLY A 43 239.111 249.019 244.029 1.00 0.00 C +ATOM 44 CA ASN A 44 236.151 247.736 246.056 1.00 0.00 C +ATOM 45 CA ARG A 45 235.005 248.433 249.622 1.00 0.00 C +ATOM 46 CA CYS A 46 233.722 251.469 251.534 1.00 0.00 C +ATOM 47 CA GLY A 47 235.598 254.354 253.168 1.00 0.00 C +ATOM 48 CA LYS A 48 239.392 254.170 253.464 1.00 0.00 C +ATOM 49 CA PRO A 49 240.857 257.314 255.041 1.00 0.00 C +ATOM 50 CA LYS A 50 240.270 261.026 255.670 1.00 0.00 C +ATOM 51 CA GLY A 51 237.927 263.689 254.280 1.00 0.00 C +ATOM 52 CA PRO A 52 236.562 265.720 251.359 1.00 0.00 C +ATOM 53 CA ARG A 53 236.454 267.262 247.877 1.00 0.00 C +ATOM 54 CA GLU A 54 233.703 267.005 245.254 1.00 0.00 C +ATOM 55 CA PRO A 55 233.556 268.390 241.707 1.00 0.00 C +ATOM 56 CA PRO A 56 235.980 267.897 238.810 1.00 0.00 C +ATOM 57 CA SER A 57 238.304 264.896 238.475 1.00 0.00 C +ATOM 58 CA GLU A 58 240.210 264.569 235.193 1.00 0.00 C +ATOM 59 CA TRP A 59 243.958 264.143 234.655 1.00 0.00 C +ATOM 60 CA THR A 60 246.221 261.250 233.642 1.00 0.00 C +TER 61 THR A 60 +END diff --git a/Mammals/Q3TYG2/Q3TYG2.dcd b/Mammals/Q3TYG2/Q3TYG2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d0a39b9125afb33358c7421e64398bfe5c8211c2 --- /dev/null +++ b/Mammals/Q3TYG2/Q3TYG2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a84da2b49228db5663efe1bf08ba6c181fb820868017b1229e75aaedb49ce28b +size 5600276 diff --git a/Mammals/Q3TYG2/top.pdb b/Mammals/Q3TYG2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b203469e41a34366682ad89708b4489c91391e1b --- /dev/null +++ b/Mammals/Q3TYG2/top.pdb @@ -0,0 +1,44 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA THR A 1 249.304 242.200 249.365 1.00 0.00 C +ATOM 2 CA HIS A 2 247.084 241.125 252.269 1.00 0.00 C +ATOM 3 CA THR A 3 245.652 241.845 255.725 1.00 0.00 C +ATOM 4 CA HIS A 4 243.099 244.579 256.450 1.00 0.00 C +ATOM 5 CA THR A 5 245.040 247.852 256.647 1.00 0.00 C +ATOM 6 CA HIS A 6 248.691 247.507 255.614 1.00 0.00 C +ATOM 7 CA THR A 7 252.316 246.969 254.573 1.00 0.00 C +ATOM 8 CA HIS A 8 256.045 246.187 254.532 1.00 0.00 C +ATOM 9 CA THR A 9 259.586 244.785 254.636 1.00 0.00 C +ATOM 10 CA HIS A 10 261.028 241.522 253.298 1.00 0.00 C +ATOM 11 CA THR A 11 264.369 240.714 254.941 1.00 0.00 C +ATOM 12 CA HIS A 12 266.132 237.902 256.811 1.00 0.00 C +ATOM 13 CA THR A 13 264.657 234.520 255.862 1.00 0.00 C +ATOM 14 CA HIS A 14 261.809 232.401 257.246 1.00 0.00 C +ATOM 15 CA GLU A 15 260.039 229.087 256.614 1.00 0.00 C +ATOM 16 CA PRO A 16 256.514 228.448 255.319 1.00 0.00 C +ATOM 17 CA GLY A 17 254.410 229.763 252.428 1.00 0.00 C +ATOM 18 CA ASN A 18 253.419 229.767 248.749 1.00 0.00 C +ATOM 19 CA GLU A 19 252.196 232.590 246.501 1.00 0.00 C +ATOM 20 CA GLU A 20 251.867 236.340 247.089 1.00 0.00 C +ATOM 21 CA HIS A 21 252.275 239.125 244.521 1.00 0.00 C +ATOM 22 CA THR A 22 250.715 242.094 242.714 1.00 0.00 C +ATOM 23 CA ASP A 23 252.740 244.394 240.449 1.00 0.00 C +ATOM 24 CA THR A 24 253.029 248.089 241.331 1.00 0.00 C +ATOM 25 CA ARG A 25 251.589 249.574 244.531 1.00 0.00 C +ATOM 26 CA LYS A 26 248.358 251.240 245.672 1.00 0.00 C +ATOM 27 CA GLY A 27 248.522 254.320 247.908 1.00 0.00 C +ATOM 28 CA GLY A 28 250.661 257.453 247.554 1.00 0.00 C +ATOM 29 CA GLU A 29 250.244 260.389 249.947 1.00 0.00 C +ATOM 30 CA LYS A 30 246.681 260.690 251.261 1.00 0.00 C +ATOM 31 CA TYR A 31 243.729 263.097 251.361 1.00 0.00 C +ATOM 32 CA ARG A 32 241.223 264.838 253.643 1.00 0.00 C +ATOM 33 CA GLU A 33 238.422 267.373 254.138 1.00 0.00 C +ATOM 34 CA ASN A 34 238.568 270.467 251.920 1.00 0.00 C +ATOM 35 CA GLN A 35 239.231 272.224 248.605 1.00 0.00 C +ATOM 36 CA GLY A 36 238.857 273.495 245.033 1.00 0.00 C +ATOM 37 CA PRO A 37 239.909 272.357 241.552 1.00 0.00 C +ATOM 38 CA GLY A 38 241.108 274.776 238.864 1.00 0.00 C +ATOM 39 CA GLU A 39 240.712 278.230 240.422 1.00 0.00 C +ATOM 40 CA TRP A 40 240.172 279.674 243.907 1.00 0.00 C +TER 41 TRP A 40 +END diff --git a/Mammals/Q3TYW4/Q3TYW4.dcd b/Mammals/Q3TYW4/Q3TYW4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..6053703c972a2183e7840bef2a42e761810f6ed7 --- /dev/null +++ b/Mammals/Q3TYW4/Q3TYW4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:193ce4c28e7e864b6afb319bf86eab78a7182a65bffc9344527eef2062fe25f6 +size 38820276 diff --git a/Mammals/Q3TYW4/top.pdb b/Mammals/Q3TYW4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..482c0576ebc76f647c23934f00bc8c1249e625a4 --- /dev/null +++ b/Mammals/Q3TYW4/top.pdb @@ -0,0 +1,213 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 224.771 154.514 304.359 1.00 0.00 C +ATOM 2 CA ARG A 2 223.180 157.425 302.486 1.00 0.00 C +ATOM 3 CA GLY A 3 225.132 160.204 300.758 1.00 0.00 C +ATOM 4 CA PRO A 4 223.225 162.240 298.163 1.00 0.00 C +ATOM 5 CA ARG A 5 223.869 165.827 297.052 1.00 0.00 C +ATOM 6 CA GLY A 6 223.002 166.870 293.492 1.00 0.00 C +ATOM 7 CA PRO A 7 224.211 166.803 289.879 1.00 0.00 C +ATOM 8 CA LEU A 8 224.293 163.768 287.577 1.00 0.00 C +ATOM 9 CA GLY A 9 221.068 161.741 287.498 1.00 0.00 C +ATOM 10 CA GLU A 10 217.843 163.761 287.700 1.00 0.00 C +ATOM 11 CA LEU A 11 215.220 165.135 285.304 1.00 0.00 C +ATOM 12 CA ARG A 12 214.458 164.562 281.615 1.00 0.00 C +ATOM 13 CA GLY A 13 213.966 166.758 278.541 1.00 0.00 C +ATOM 14 CA GLN A 14 211.597 169.684 277.955 1.00 0.00 C +ATOM 15 CA GLU A 15 208.977 171.148 275.608 1.00 0.00 C +ATOM 16 CA GLY A 16 209.493 174.782 274.583 1.00 0.00 C +ATOM 17 CA ARG A 17 207.409 177.755 273.429 1.00 0.00 C +ATOM 18 CA GLY A 18 205.134 178.676 276.343 1.00 0.00 C +ATOM 19 CA LEU A 19 202.065 178.235 278.557 1.00 0.00 C +ATOM 20 CA GLY A 20 198.291 177.993 278.096 1.00 0.00 C +ATOM 21 CA GLY A 21 194.611 178.919 277.748 1.00 0.00 C +ATOM 22 CA ALA A 22 191.148 179.964 276.552 1.00 0.00 C +ATOM 23 CA LYS A 23 189.210 182.910 277.994 1.00 0.00 C +ATOM 24 CA PHE A 24 185.425 183.067 277.580 1.00 0.00 C +ATOM 25 CA PRO A 25 183.587 183.392 274.258 1.00 0.00 C +ATOM 26 CA ALA A 26 185.541 185.907 272.167 1.00 0.00 C +ATOM 27 CA GLY A 27 188.972 184.538 271.233 1.00 0.00 C +ATOM 28 CA ALA A 28 192.181 185.751 269.577 1.00 0.00 C +ATOM 29 CA ILE A 29 195.718 187.170 269.555 1.00 0.00 C +ATOM 30 CA PRO A 30 197.430 190.450 268.646 1.00 0.00 C +ATOM 31 CA GLU A 31 200.915 190.714 267.131 1.00 0.00 C +ATOM 32 CA ALA A 32 203.263 191.321 270.070 1.00 0.00 C +ATOM 33 CA ALA A 33 203.080 192.022 273.810 1.00 0.00 C +ATOM 34 CA ALA A 34 203.076 195.794 274.349 1.00 0.00 C +ATOM 35 CA LYS A 35 205.239 198.397 276.098 1.00 0.00 C +ATOM 36 CA GLY A 36 207.026 199.362 279.321 1.00 0.00 C +ATOM 37 CA GLN A 37 209.628 201.915 280.430 1.00 0.00 C +ATOM 38 CA GLY A 38 210.856 205.296 281.685 1.00 0.00 C +ATOM 39 CA ARG A 39 213.450 207.811 280.476 1.00 0.00 C +ATOM 40 CA PRO A 40 217.227 207.894 280.972 1.00 0.00 C +ATOM 41 CA ARG A 41 219.051 206.573 277.899 1.00 0.00 C +ATOM 42 CA GLY A 42 217.633 207.873 274.610 1.00 0.00 C +ATOM 43 CA ASP A 43 215.765 211.087 275.443 1.00 0.00 C +ATOM 44 CA PRO A 44 216.139 214.452 277.190 1.00 0.00 C +ATOM 45 CA LEU A 45 216.239 218.182 277.963 1.00 0.00 C +ATOM 46 CA SER A 46 216.028 219.928 281.343 1.00 0.00 C +ATOM 47 CA PRO A 47 218.377 221.387 283.964 1.00 0.00 C +ATOM 48 CA ARG A 48 220.089 222.804 287.059 1.00 0.00 C +ATOM 49 CA PRO A 49 220.022 226.583 287.540 1.00 0.00 C +ATOM 50 CA ALA A 50 218.761 229.337 285.229 1.00 0.00 C +ATOM 51 CA LEU A 51 218.739 232.946 284.006 1.00 0.00 C +ATOM 52 CA SER A 52 218.197 235.164 287.056 1.00 0.00 C +ATOM 53 CA CYS A 53 215.877 237.489 288.988 1.00 0.00 C +ATOM 54 CA CYS A 54 215.461 240.736 290.937 1.00 0.00 C +ATOM 55 CA GLY A 55 212.273 242.208 292.417 1.00 0.00 C +ATOM 56 CA PHE A 56 209.088 240.118 292.432 1.00 0.00 C +ATOM 57 CA TRP A 57 206.609 237.348 291.594 1.00 0.00 C +ATOM 58 CA GLU A 58 207.467 233.727 292.412 1.00 0.00 C +ATOM 59 CA PRO A 59 211.004 232.803 291.339 1.00 0.00 C +ATOM 60 CA VAL A 60 213.758 232.016 293.852 1.00 0.00 C +ATOM 61 CA SER A 61 215.610 229.559 296.100 1.00 0.00 C +ATOM 62 CA ARG A 62 216.485 226.003 297.151 1.00 0.00 C +ATOM 63 CA SER A 63 215.345 223.086 299.320 1.00 0.00 C +ATOM 64 CA ARG A 64 214.515 219.855 297.479 1.00 0.00 C +ATOM 65 CA GLY A 65 216.051 216.601 296.226 1.00 0.00 C +ATOM 66 CA SER A 66 215.968 213.782 293.664 1.00 0.00 C +ATOM 67 CA ALA A 67 215.602 212.266 290.188 1.00 0.00 C +ATOM 68 CA ARG A 68 217.876 209.949 288.194 1.00 0.00 C +ATOM 69 CA GLY A 69 220.378 212.052 286.236 1.00 0.00 C +ATOM 70 CA GLY A 70 224.046 211.803 287.237 1.00 0.00 C +ATOM 71 CA ALA A 71 225.085 208.778 289.306 1.00 0.00 C +ATOM 72 CA THR A 72 227.674 205.990 289.104 1.00 0.00 C +ATOM 73 CA ALA A 73 230.983 205.459 287.292 1.00 0.00 C +ATOM 74 CA GLY A 74 232.636 208.238 285.277 1.00 0.00 C +ATOM 75 CA ALA A 75 232.960 211.972 284.593 1.00 0.00 C +ATOM 76 CA GLY A 76 234.247 214.884 286.687 1.00 0.00 C +ATOM 77 CA THR A 77 234.667 217.859 284.344 1.00 0.00 C +ATOM 78 CA GLY A 78 236.070 221.134 282.994 1.00 0.00 C +ATOM 79 CA PRO A 79 236.419 224.299 285.087 1.00 0.00 C +ATOM 80 CA PRO A 80 233.284 226.435 284.732 1.00 0.00 C +ATOM 81 CA SER A 81 229.905 224.952 285.681 1.00 0.00 C +ATOM 82 CA ARG A 82 226.674 225.911 287.459 1.00 0.00 C +ATOM 83 CA ARG A 83 226.126 229.669 287.153 1.00 0.00 C +ATOM 84 CA GLY A 84 225.015 232.384 289.584 1.00 0.00 C +ATOM 85 CA ASP A 85 224.302 236.126 289.526 1.00 0.00 C +ATOM 86 CA ASP A 86 223.157 239.736 289.948 1.00 0.00 C +ATOM 87 CA GLN A 87 224.583 241.761 287.053 1.00 0.00 C +ATOM 88 CA TRP A 88 226.097 245.208 287.639 1.00 0.00 C +ATOM 89 CA GLY A 89 229.653 246.525 287.269 1.00 0.00 C +ATOM 90 CA SER A 90 231.160 248.197 290.343 1.00 0.00 C +ATOM 91 CA GLY A 91 232.859 249.899 293.298 1.00 0.00 C +ATOM 92 CA PRO A 92 236.425 250.952 292.467 1.00 0.00 C +ATOM 93 CA ALA A 93 236.538 252.544 289.007 1.00 0.00 C +ATOM 94 CA ARG A 94 233.213 254.306 288.412 1.00 0.00 C +ATOM 95 CA LEU A 95 230.950 255.329 285.522 1.00 0.00 C +ATOM 96 CA GLY A 96 228.534 253.114 283.580 1.00 0.00 C +ATOM 97 CA ARG A 97 230.138 250.229 281.676 1.00 0.00 C +ATOM 98 CA ASP A 98 233.324 249.402 279.758 1.00 0.00 C +ATOM 99 CA SER A 99 233.154 251.226 276.418 1.00 0.00 C +ATOM 100 CA ALA A 100 234.101 254.661 275.069 1.00 0.00 C +ATOM 101 CA ARG A 101 231.281 256.355 273.145 1.00 0.00 C +ATOM 102 CA ARG A 102 231.906 260.055 272.485 1.00 0.00 C +ATOM 103 CA ALA A 103 232.554 263.113 274.664 1.00 0.00 C +ATOM 104 CA ALA A 104 235.323 262.891 277.272 1.00 0.00 C +ATOM 105 CA HIS A 105 238.966 263.498 276.336 1.00 0.00 C +ATOM 106 CA SER A 106 239.179 266.580 274.107 1.00 0.00 C +ATOM 107 CA GLY A 107 241.199 269.732 273.402 1.00 0.00 C +ATOM 108 CA LEU A 108 244.913 270.525 273.707 1.00 0.00 C +ATOM 109 CA ALA A 109 247.106 267.972 271.921 1.00 0.00 C +ATOM 110 CA ARG A 110 246.671 265.984 268.700 1.00 0.00 C +ATOM 111 CA ASP A 111 246.837 263.161 266.146 1.00 0.00 C +ATOM 112 CA SER A 112 248.386 260.877 263.520 1.00 0.00 C +ATOM 113 CA GLY A 113 252.027 259.908 262.952 1.00 0.00 C +ATOM 114 CA ARG A 114 254.942 258.934 260.701 1.00 0.00 C +ATOM 115 CA GLN A 115 258.075 259.751 262.709 1.00 0.00 C +ATOM 116 CA ALA A 116 258.013 263.158 264.413 1.00 0.00 C +ATOM 117 CA HIS A 117 259.953 264.179 267.529 1.00 0.00 C +ATOM 118 CA GLY A 118 263.522 265.072 266.538 1.00 0.00 C +ATOM 119 CA ALA A 119 265.570 268.285 266.550 1.00 0.00 C +ATOM 120 CA ASP A 120 269.080 268.480 265.081 1.00 0.00 C +ATOM 121 CA ARG A 121 271.206 270.872 263.014 1.00 0.00 C +ATOM 122 CA GLY A 122 272.009 271.331 259.318 1.00 0.00 C +ATOM 123 CA THR A 123 271.857 274.879 257.938 1.00 0.00 C +ATOM 124 CA ALA A 124 274.414 276.894 259.916 1.00 0.00 C +ATOM 125 CA ARG A 125 278.117 277.464 259.225 1.00 0.00 C +ATOM 126 CA LEU A 126 278.493 279.138 255.824 1.00 0.00 C +ATOM 127 CA VAL A 127 275.756 278.994 253.178 1.00 0.00 C +ATOM 128 CA PRO A 128 274.913 279.560 249.505 1.00 0.00 C +ATOM 129 CA ALA A 129 275.112 279.923 245.718 1.00 0.00 C +ATOM 130 CA PRO A 130 272.035 280.156 243.483 1.00 0.00 C +ATOM 131 CA ALA A 131 271.329 280.320 239.743 1.00 0.00 C +ATOM 132 CA ALA A 132 269.450 283.486 238.758 1.00 0.00 C +ATOM 133 CA ARG A 133 266.648 286.060 238.571 1.00 0.00 C +ATOM 134 CA GLU A 134 265.495 288.398 241.350 1.00 0.00 C +ATOM 135 CA CYS A 135 261.748 288.260 242.024 1.00 0.00 C +ATOM 136 CA GLU A 136 259.258 287.766 239.182 1.00 0.00 C +ATOM 137 CA GLY A 137 260.996 288.284 235.831 1.00 0.00 C +ATOM 138 CA TRP A 138 264.029 289.220 233.722 1.00 0.00 C +ATOM 139 CA PRO A 139 263.844 290.116 230.024 1.00 0.00 C +ATOM 140 CA PRO A 140 264.114 289.240 226.326 1.00 0.00 C +ATOM 141 CA MET A 141 265.545 290.034 222.885 1.00 0.00 C +ATOM 142 CA LEU A 142 263.813 293.051 221.333 1.00 0.00 C +ATOM 143 CA ARG A 143 260.831 295.423 221.268 1.00 0.00 C +ATOM 144 CA ARG A 144 260.295 298.592 223.313 1.00 0.00 C +ATOM 145 CA ARG A 145 263.316 300.684 224.320 1.00 0.00 C +ATOM 146 CA GLY A 146 267.017 301.571 224.143 1.00 0.00 C +ATOM 147 CA GLY A 147 269.290 302.540 221.242 1.00 0.00 C +ATOM 148 CA ARG A 148 268.452 302.487 217.526 1.00 0.00 C +ATOM 149 CA ARG A 149 266.501 305.206 215.705 1.00 0.00 C +ATOM 150 CA ASN A 150 267.773 308.784 216.019 1.00 0.00 C +ATOM 151 CA LEU A 151 270.620 310.415 217.956 1.00 0.00 C +ATOM 152 CA ARG A 152 273.584 308.023 217.848 1.00 0.00 C +ATOM 153 CA THR A 153 276.955 306.855 216.512 1.00 0.00 C +ATOM 154 CA PRO A 154 280.080 304.704 216.865 1.00 0.00 C +ATOM 155 CA GLY A 155 281.501 303.240 213.647 1.00 0.00 C +ATOM 156 CA ARG A 156 284.100 301.398 211.556 1.00 0.00 C +ATOM 157 CA GLY A 157 286.383 302.548 208.731 1.00 0.00 C +ATOM 158 CA GLU A 158 287.671 304.568 205.768 1.00 0.00 C +ATOM 159 CA GLY A 159 286.578 308.202 205.429 1.00 0.00 C +ATOM 160 CA GLU A 160 284.593 308.384 202.182 1.00 0.00 C +ATOM 161 CA GLY A 161 280.820 307.861 202.137 1.00 0.00 C +ATOM 162 CA ARG A 162 278.205 310.397 201.019 1.00 0.00 C +ATOM 163 CA SER A 163 275.691 312.691 199.306 1.00 0.00 C +ATOM 164 CA VAL A 164 273.339 310.734 197.036 1.00 0.00 C +ATOM 165 CA LYS A 165 274.341 309.591 193.542 1.00 0.00 C +ATOM 166 CA SER A 166 274.029 307.614 190.300 1.00 0.00 C +ATOM 167 CA GLN A 167 273.070 304.540 188.263 1.00 0.00 C +ATOM 168 CA VAL A 168 272.144 301.326 186.438 1.00 0.00 C +ATOM 169 CA GLY A 169 273.756 301.590 182.996 1.00 0.00 C +ATOM 170 CA ILE A 170 277.345 302.810 183.374 1.00 0.00 C +ATOM 171 CA GLY A 171 280.299 303.426 181.048 1.00 0.00 C +ATOM 172 CA VAL A 172 283.828 304.856 181.170 1.00 0.00 C +ATOM 173 CA ARG A 173 286.288 301.985 181.642 1.00 0.00 C +ATOM 174 CA ARG A 174 287.188 298.461 180.508 1.00 0.00 C +ATOM 175 CA THR A 175 288.780 295.521 182.336 1.00 0.00 C +ATOM 176 CA GLN A 176 291.590 295.960 184.871 1.00 0.00 C +ATOM 177 CA THR A 177 292.777 299.578 184.982 1.00 0.00 C +ATOM 178 CA ALA A 178 292.707 300.980 181.440 1.00 0.00 C +ATOM 179 CA GLU A 179 293.430 304.718 181.585 1.00 0.00 C +ATOM 180 CA ALA A 180 294.500 308.059 180.098 1.00 0.00 C +ATOM 181 CA THR A 181 296.349 307.781 176.778 1.00 0.00 C +ATOM 182 CA SER A 182 298.066 305.406 174.343 1.00 0.00 C +ATOM 183 CA SER A 183 297.012 301.977 173.060 1.00 0.00 C +ATOM 184 CA ARG A 184 300.276 300.305 172.026 1.00 0.00 C +ATOM 185 CA ARG A 185 303.653 300.316 170.262 1.00 0.00 C +ATOM 186 CA ALA A 186 306.819 301.517 172.008 1.00 0.00 C +ATOM 187 CA PHE A 187 307.206 300.203 175.563 1.00 0.00 C +ATOM 188 CA ALA A 188 308.822 296.770 175.215 1.00 0.00 C +ATOM 189 CA CYS A 189 308.667 293.076 176.137 1.00 0.00 C +ATOM 190 CA GLY A 190 311.241 290.296 175.732 1.00 0.00 C +ATOM 191 CA THR A 191 312.712 287.525 177.894 1.00 0.00 C +ATOM 192 CA GLN A 192 310.210 286.222 180.455 1.00 0.00 C +ATOM 193 CA VAL A 193 307.887 286.318 183.474 1.00 0.00 C +ATOM 194 CA ILE A 194 307.354 283.887 186.358 1.00 0.00 C +ATOM 195 CA GLU A 195 306.192 280.350 185.550 1.00 0.00 C +ATOM 196 CA SER A 196 307.074 277.145 187.412 1.00 0.00 C +ATOM 197 CA PRO A 197 307.730 273.392 187.345 1.00 0.00 C +ATOM 198 CA ARG A 198 311.104 272.797 189.012 1.00 0.00 C +ATOM 199 CA GLN A 199 313.310 274.054 191.853 1.00 0.00 C +ATOM 200 CA ARG A 200 315.475 273.751 194.973 1.00 0.00 C +ATOM 201 CA PRO A 201 316.755 273.900 198.558 1.00 0.00 C +ATOM 202 CA ARG A 202 320.477 274.067 199.356 1.00 0.00 C +ATOM 203 CA ALA A 203 323.427 273.377 197.046 1.00 0.00 C +ATOM 204 CA ARG A 204 326.566 273.610 199.192 1.00 0.00 C +ATOM 205 CA LEU A 205 327.987 273.939 202.712 1.00 0.00 C +ATOM 206 CA GLU A 206 329.761 272.964 205.939 1.00 0.00 C +ATOM 207 CA ASN A 207 333.441 273.845 205.494 1.00 0.00 C +ATOM 208 CA PRO A 208 336.437 273.856 207.848 1.00 0.00 C +ATOM 209 CA PRO A 209 339.469 273.706 205.545 1.00 0.00 C +TER 210 PRO A 209 +END diff --git a/Mammals/Q3U0Y7/Q3U0Y7.dcd b/Mammals/Q3U0Y7/Q3U0Y7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b8805487b84c076d4d68f2c98222c84e3cc6a631 --- /dev/null +++ b/Mammals/Q3U0Y7/Q3U0Y7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5589ab5cac716f1314f8b285ff6a270fbcd31b296c4b1728da9c6250b8f09516 +size 5600276 diff --git a/Mammals/Q3U0Y7/top.pdb b/Mammals/Q3U0Y7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9c1971d6a98d01ff393486f192ccb94c83520882 --- /dev/null +++ b/Mammals/Q3U0Y7/top.pdb @@ -0,0 +1,44 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 243.121 222.802 249.700 1.00 0.00 C +ATOM 2 CA ALA A 2 243.359 225.869 251.948 1.00 0.00 C +ATOM 3 CA GLN A 3 240.674 228.451 251.150 1.00 0.00 C +ATOM 4 CA TRP A 4 238.433 231.458 250.476 1.00 0.00 C +ATOM 5 CA VAL A 5 240.347 234.667 249.732 1.00 0.00 C +ATOM 6 CA ARG A 6 242.619 237.376 251.153 1.00 0.00 C +ATOM 7 CA ALA A 7 244.276 239.188 254.066 1.00 0.00 C +ATOM 8 CA PRO A 8 245.278 242.800 253.387 1.00 0.00 C +ATOM 9 CA ASP A 9 244.613 246.488 254.077 1.00 0.00 C +ATOM 10 CA CYS A 10 245.455 248.761 251.137 1.00 0.00 C +ATOM 11 CA PHE A 11 248.637 250.780 251.696 1.00 0.00 C +ATOM 12 CA SER A 12 250.429 249.449 254.784 1.00 0.00 C +ATOM 13 CA GLU A 13 253.305 247.352 256.142 1.00 0.00 C +ATOM 14 CA GLY A 14 252.334 243.718 256.749 1.00 0.00 C +ATOM 15 CA PRO A 15 254.607 240.997 258.145 1.00 0.00 C +ATOM 16 CA LYS A 16 256.804 240.009 255.194 1.00 0.00 C +ATOM 17 CA PHE A 17 255.806 237.217 252.801 1.00 0.00 C +ATOM 18 CA LYS A 18 252.070 236.497 253.002 1.00 0.00 C +ATOM 19 CA SER A 19 249.282 236.186 250.424 1.00 0.00 C +ATOM 20 CA GLN A 20 248.906 238.864 247.739 1.00 0.00 C +ATOM 21 CA GLN A 21 245.940 241.209 247.267 1.00 0.00 C +ATOM 22 CA PRO A 22 242.779 242.411 245.512 1.00 0.00 C +ATOM 23 CA HIS A 23 242.049 245.492 243.392 1.00 0.00 C +ATOM 24 CA GLY A 24 243.913 248.634 242.312 1.00 0.00 C +ATOM 25 CA GLY A 25 243.017 251.987 240.741 1.00 0.00 C +ATOM 26 CA SER A 26 246.082 254.242 240.916 1.00 0.00 C +ATOM 27 CA GLN A 27 248.308 253.547 243.929 1.00 0.00 C +ATOM 28 CA PRO A 28 250.438 256.582 244.805 1.00 0.00 C +ATOM 29 CA PRO A 29 253.599 256.254 242.703 1.00 0.00 C +ATOM 30 CA VAL A 30 255.246 259.524 241.649 1.00 0.00 C +ATOM 31 CA MET A 31 255.823 262.637 243.768 1.00 0.00 C +ATOM 32 CA ARG A 32 254.237 266.060 244.304 1.00 0.00 C +ATOM 33 CA SER A 33 254.945 268.607 247.048 1.00 0.00 C +ATOM 34 CA ASP A 34 256.912 270.955 249.314 1.00 0.00 C +ATOM 35 CA SER A 35 260.110 269.097 250.225 1.00 0.00 C +ATOM 36 CA LEU A 36 262.989 271.464 251.017 1.00 0.00 C +ATOM 37 CA PHE A 37 262.131 274.360 253.339 1.00 0.00 C +ATOM 38 CA TRP A 38 258.885 275.054 255.209 1.00 0.00 C +ATOM 39 CA SER A 39 257.367 276.931 258.157 1.00 0.00 C +ATOM 40 CA VAL A 40 254.876 276.023 260.893 1.00 0.00 C +TER 41 VAL A 40 +END diff --git a/Mammals/Q3U2L9/Q3U2L9.dcd b/Mammals/Q3U2L9/Q3U2L9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..dbd3c2d768e22247815d4dcbc124419ee711e81a --- /dev/null +++ b/Mammals/Q3U2L9/Q3U2L9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9a464af7d7189656d76f21aa1ecc5eefedd4cbb9f42351098472d26ea20d7dea +size 19520276 diff --git a/Mammals/Q3U2L9/top.pdb b/Mammals/Q3U2L9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e0350b42c247db5132e082c1250d1318a3460ca4 --- /dev/null +++ b/Mammals/Q3U2L9/top.pdb @@ -0,0 +1,160 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ASN A 1 216.025 223.818 247.432 1.00 0.00 C +ATOM 2 CA SER A 2 217.449 226.676 249.510 1.00 0.00 C +ATOM 3 CA ALA A 3 214.992 229.104 251.117 1.00 0.00 C +ATOM 4 CA ALA A 4 212.751 232.162 251.495 1.00 0.00 C +ATOM 5 CA GLY A 5 210.218 231.271 254.198 1.00 0.00 C +ATOM 6 CA ALA A 6 209.424 228.773 256.963 1.00 0.00 C +ATOM 7 CA ALA A 7 209.268 225.281 255.448 1.00 0.00 C +ATOM 8 CA LYS A 8 207.648 222.732 253.125 1.00 0.00 C +ATOM 9 CA ALA A 9 205.494 222.607 249.986 1.00 0.00 C +ATOM 10 CA PRO A 10 205.954 225.647 247.736 1.00 0.00 C +ATOM 11 CA ASN A 11 205.407 224.711 244.084 1.00 0.00 C +ATOM 12 CA HIS A 12 208.020 224.632 241.312 1.00 0.00 C +ATOM 13 CA GLN A 13 208.747 227.783 239.298 1.00 0.00 C +ATOM 14 CA ARG A 14 207.345 231.257 239.995 1.00 0.00 C +ATOM 15 CA ASN A 15 209.692 234.210 239.460 1.00 0.00 C +ATOM 16 CA GLY A 16 211.538 234.672 236.159 1.00 0.00 C +ATOM 17 CA GLU A 17 210.569 237.544 233.850 1.00 0.00 C +ATOM 18 CA PRO A 18 211.468 241.240 234.061 1.00 0.00 C +ATOM 19 CA PRO A 19 208.464 243.575 234.271 1.00 0.00 C +ATOM 20 CA ARG A 20 206.408 246.757 233.863 1.00 0.00 C +ATOM 21 CA ARG A 21 205.620 250.478 234.085 1.00 0.00 C +ATOM 22 CA CYS A 22 208.517 252.588 232.791 1.00 0.00 C +ATOM 23 CA VAL A 23 209.375 256.298 232.887 1.00 0.00 C +ATOM 24 CA ARG A 24 211.015 258.735 235.314 1.00 0.00 C +ATOM 25 CA LEU A 25 212.773 261.794 236.752 1.00 0.00 C +ATOM 26 CA GLU A 26 216.181 262.910 238.039 1.00 0.00 C +ATOM 27 CA ARG A 27 218.340 266.049 238.003 1.00 0.00 C +ATOM 28 CA PRO A 28 220.844 266.902 240.745 1.00 0.00 C +ATOM 29 CA GLU A 29 223.394 269.081 242.553 1.00 0.00 C +ATOM 30 CA GLY A 30 224.738 270.770 245.692 1.00 0.00 C +ATOM 31 CA GLN A 31 224.747 268.471 248.730 1.00 0.00 C +ATOM 32 CA ALA A 32 224.201 265.047 250.308 1.00 0.00 C +ATOM 33 CA ARG A 33 223.767 261.889 252.396 1.00 0.00 C +ATOM 34 CA ALA A 34 225.888 260.014 254.945 1.00 0.00 C +ATOM 35 CA HIS A 35 229.554 260.820 254.296 1.00 0.00 C +ATOM 36 CA PRO A 36 231.744 260.003 251.287 1.00 0.00 C +ATOM 37 CA SER A 37 231.967 263.098 249.076 1.00 0.00 C +ATOM 38 CA LEU A 38 232.912 263.021 245.386 1.00 0.00 C +ATOM 39 CA ALA A 39 233.110 264.498 241.879 1.00 0.00 C +ATOM 40 CA GLY A 40 234.875 267.605 240.557 1.00 0.00 C +ATOM 41 CA GLN A 41 236.222 270.942 241.807 1.00 0.00 C +ATOM 42 CA ARG A 42 236.080 271.442 245.582 1.00 0.00 C +ATOM 43 CA PRO A 43 234.898 269.324 248.520 1.00 0.00 C +ATOM 44 CA TRP A 44 232.568 268.979 251.514 1.00 0.00 C +ATOM 45 CA PRO A 45 229.544 270.134 253.523 1.00 0.00 C +ATOM 46 CA PRO A 46 230.591 270.198 257.186 1.00 0.00 C +ATOM 47 CA THR A 47 229.510 266.963 258.883 1.00 0.00 C +ATOM 48 CA SER A 48 229.867 264.995 262.126 1.00 0.00 C +ATOM 49 CA ARG A 49 228.617 262.651 264.857 1.00 0.00 C +ATOM 50 CA GLY A 50 228.701 259.675 267.235 1.00 0.00 C +ATOM 51 CA ALA A 51 232.202 259.156 268.646 1.00 0.00 C +ATOM 52 CA LYS A 52 233.560 255.597 268.742 1.00 0.00 C +ATOM 53 CA GLU A 53 231.198 253.099 267.099 1.00 0.00 C +ATOM 54 CA PRO A 54 232.353 249.919 265.347 1.00 0.00 C +ATOM 55 CA THR A 55 232.364 250.257 261.552 1.00 0.00 C +ATOM 56 CA ARG A 56 232.502 247.924 258.543 1.00 0.00 C +ATOM 57 CA LYS A 57 236.204 247.107 258.159 1.00 0.00 C +ATOM 58 CA ARG A 58 237.996 248.631 255.162 1.00 0.00 C +ATOM 59 CA ASN A 59 240.596 251.135 253.944 1.00 0.00 C +ATOM 60 CA PRO A 60 241.601 254.808 254.077 1.00 0.00 C +ATOM 61 CA GLY A 61 245.147 256.028 253.406 1.00 0.00 C +ATOM 62 CA GLU A 62 245.981 259.445 254.872 1.00 0.00 C +ATOM 63 CA THR A 63 249.194 261.466 254.547 1.00 0.00 C +ATOM 64 CA PRO A 64 251.277 261.531 257.736 1.00 0.00 C +ATOM 65 CA GLY A 65 253.474 258.714 259.060 1.00 0.00 C +ATOM 66 CA THR A 66 256.526 257.102 257.447 1.00 0.00 C +ATOM 67 CA ARG A 67 259.314 255.187 255.693 1.00 0.00 C +ATOM 68 CA ARG A 68 262.910 254.120 255.024 1.00 0.00 C +ATOM 69 CA ARG A 69 264.035 253.643 251.415 1.00 0.00 C +ATOM 70 CA GLY A 70 263.639 256.715 249.196 1.00 0.00 C +ATOM 71 CA LEU A 71 266.090 259.110 247.532 1.00 0.00 C +ATOM 72 CA SER A 72 268.875 260.290 249.850 1.00 0.00 C +ATOM 73 CA PRO A 73 268.162 260.365 253.592 1.00 0.00 C +ATOM 74 CA PRO A 74 265.805 260.748 256.560 1.00 0.00 C +ATOM 75 CA GLY A 75 266.373 258.625 259.672 1.00 0.00 C +ATOM 76 CA VAL A 76 268.558 258.797 262.788 1.00 0.00 C +ATOM 77 CA PRO A 77 270.782 259.697 265.748 1.00 0.00 C +ATOM 78 CA ILE A 78 271.520 257.769 268.950 1.00 0.00 C +ATOM 79 CA SER A 79 269.560 257.623 272.215 1.00 0.00 C +ATOM 80 CA ARG A 80 269.521 260.035 275.164 1.00 0.00 C +ATOM 81 CA ARG A 81 268.157 263.183 276.821 1.00 0.00 C +ATOM 82 CA GLY A 82 265.757 261.965 279.518 1.00 0.00 C +ATOM 83 CA THR A 83 263.103 259.239 279.712 1.00 0.00 C +ATOM 84 CA SER A 84 262.019 258.624 276.111 1.00 0.00 C +ATOM 85 CA GLY A 85 261.604 259.231 272.373 1.00 0.00 C +ATOM 86 CA PRO A 86 259.649 257.733 269.465 1.00 0.00 C +ATOM 87 CA GLY A 87 256.250 256.666 270.813 1.00 0.00 C +ATOM 88 CA THR A 88 254.584 257.014 274.222 1.00 0.00 C +ATOM 89 CA ALA A 89 251.761 254.608 275.091 1.00 0.00 C +ATOM 90 CA ARG A 90 249.320 253.823 277.909 1.00 0.00 C +ATOM 91 CA PRO A 91 247.269 253.781 281.120 1.00 0.00 C +ATOM 92 CA ARG A 92 247.175 257.225 282.747 1.00 0.00 C +ATOM 93 CA LYS A 93 245.272 259.853 284.744 1.00 0.00 C +ATOM 94 CA ARG A 94 242.847 261.923 282.658 1.00 0.00 C +ATOM 95 CA ARG A 95 240.714 261.653 279.513 1.00 0.00 C +ATOM 96 CA ARG A 96 240.193 258.632 277.250 1.00 0.00 C +ATOM 97 CA ARG A 97 243.380 256.778 276.288 1.00 0.00 C +ATOM 98 CA ARG A 98 245.767 256.896 273.321 1.00 0.00 C +ATOM 99 CA SER A 99 247.490 255.561 270.196 1.00 0.00 C +ATOM 100 CA PRO A 100 249.259 252.247 269.561 1.00 0.00 C +ATOM 101 CA ASP A 101 251.650 249.291 269.817 1.00 0.00 C +ATOM 102 CA ARG A 102 253.356 248.659 266.470 1.00 0.00 C +ATOM 103 CA ALA A 103 255.299 249.180 263.235 1.00 0.00 C +ATOM 104 CA GLY A 104 256.594 251.669 260.657 1.00 0.00 C +ATOM 105 CA GLU A 105 257.670 249.678 257.592 1.00 0.00 C +ATOM 106 CA THR A 106 258.717 246.091 256.850 1.00 0.00 C +ATOM 107 CA ARG A 107 260.423 244.761 253.714 1.00 0.00 C +ATOM 108 CA GLY A 108 263.871 246.013 252.683 1.00 0.00 C +ATOM 109 CA ASP A 109 266.753 247.951 251.116 1.00 0.00 C +ATOM 110 CA PRO A 110 266.680 248.832 247.410 1.00 0.00 C +ATOM 111 CA PRO A 111 268.530 247.106 244.561 1.00 0.00 C +ATOM 112 CA PRO A 112 266.853 243.718 244.084 1.00 0.00 C +ATOM 113 CA PRO A 113 266.133 240.993 246.647 1.00 0.00 C +ATOM 114 CA GLY A 114 266.305 237.794 248.709 1.00 0.00 C +ATOM 115 CA GLY A 115 268.811 235.270 250.076 1.00 0.00 C +ATOM 116 CA GLN A 116 272.367 234.361 251.099 1.00 0.00 C +ATOM 117 CA SER A 117 274.450 234.510 247.912 1.00 0.00 C +ATOM 118 CA ARG A 118 277.256 237.080 247.705 1.00 0.00 C +ATOM 119 CA VAL A 119 280.039 236.559 250.254 1.00 0.00 C +ATOM 120 CA ASN A 120 282.319 236.656 253.305 1.00 0.00 C +ATOM 121 CA LYS A 121 285.742 236.289 254.938 1.00 0.00 C +ATOM 122 CA ALA A 122 288.948 234.242 255.150 1.00 0.00 C +ATOM 123 CA SER A 123 291.248 235.506 252.387 1.00 0.00 C +ATOM 124 CA THR A 124 289.106 237.307 249.802 1.00 0.00 C +ATOM 125 CA PRO A 125 289.297 241.008 248.921 1.00 0.00 C +ATOM 126 CA ALA A 126 287.395 241.884 245.738 1.00 0.00 C +ATOM 127 CA ALA A 127 285.730 240.649 242.542 1.00 0.00 C +ATOM 128 CA HIS A 128 286.534 242.432 239.272 1.00 0.00 C +ATOM 129 CA LEU A 129 284.721 244.686 236.792 1.00 0.00 C +ATOM 130 CA PRO A 130 283.188 248.169 236.601 1.00 0.00 C +ATOM 131 CA GLY A 131 280.608 249.740 234.278 1.00 0.00 C +ATOM 132 CA ALA A 132 277.400 249.920 232.231 1.00 0.00 C +ATOM 133 CA ALA A 133 275.909 249.013 228.844 1.00 0.00 C +ATOM 134 CA THR A 134 273.689 245.961 228.323 1.00 0.00 C +ATOM 135 CA SER A 135 272.894 242.235 228.276 1.00 0.00 C +ATOM 136 CA ARG A 136 272.423 241.321 231.944 1.00 0.00 C +ATOM 137 CA PRO A 137 269.629 241.565 234.523 1.00 0.00 C +ATOM 138 CA GLN A 138 271.262 241.771 237.959 1.00 0.00 C +ATOM 139 CA SER A 139 274.460 243.567 238.989 1.00 0.00 C +ATOM 140 CA PRO A 140 276.842 245.855 237.090 1.00 0.00 C +ATOM 141 CA GLY A 141 278.282 243.888 234.162 1.00 0.00 C +ATOM 142 CA ARG A 142 280.518 244.323 231.108 1.00 0.00 C +ATOM 143 CA PRO A 143 280.781 241.441 228.630 1.00 0.00 C +ATOM 144 CA ASP A 144 278.076 238.759 228.713 1.00 0.00 C +ATOM 145 CA GLN A 145 277.892 236.537 225.623 1.00 0.00 C +ATOM 146 CA VAL A 146 279.583 236.275 222.219 1.00 0.00 C +ATOM 147 CA LYS A 147 277.820 235.613 218.907 1.00 0.00 C +ATOM 148 CA PRO A 148 277.753 238.141 216.057 1.00 0.00 C +ATOM 149 CA ASP A 149 277.828 239.578 212.530 1.00 0.00 C +ATOM 150 CA GLN A 150 278.791 243.040 211.262 1.00 0.00 C +ATOM 151 CA THR A 151 280.366 246.356 210.243 1.00 0.00 C +ATOM 152 CA ARG A 152 280.447 249.764 211.944 1.00 0.00 C +ATOM 153 CA LEU A 153 281.823 249.363 215.474 1.00 0.00 C +ATOM 154 CA THR A 154 282.804 252.043 217.998 1.00 0.00 C +ATOM 155 CA GLU A 155 283.428 252.560 221.721 1.00 0.00 C +ATOM 156 CA ALA A 156 286.780 251.925 223.417 1.00 0.00 C +TER 157 ALA A 156 +END diff --git a/Mammals/Q3U3G9/Q3U3G9.dcd b/Mammals/Q3U3G9/Q3U3G9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b5d43c438acde6ab8c167833df04beec1f916ad5 --- /dev/null +++ b/Mammals/Q3U3G9/Q3U3G9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9fdde40b0b974ee7c9a0e3c804ea9eb0b7343a43a8c2e647c55bc93653ae1415 +size 19400276 diff --git a/Mammals/Q3U3G9/top.pdb b/Mammals/Q3U3G9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..74f9b9e4ba0103e8964ff9be7945d1f925c2bfef --- /dev/null +++ b/Mammals/Q3U3G9/top.pdb @@ -0,0 +1,159 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 217.659 237.953 244.831 1.00 0.00 C +ATOM 2 CA SER A 2 219.503 239.694 247.674 1.00 0.00 C +ATOM 3 CA VAL A 3 222.918 239.743 249.364 1.00 0.00 C +ATOM 4 CA ALA A 4 224.756 243.044 249.856 1.00 0.00 C +ATOM 5 CA PHE A 5 226.669 246.198 248.900 1.00 0.00 C +ATOM 6 CA ALA A 6 224.935 249.582 249.136 1.00 0.00 C +ATOM 7 CA ALA A 7 222.859 250.771 246.171 1.00 0.00 C +ATOM 8 CA PRO A 8 221.636 254.129 244.851 1.00 0.00 C +ATOM 9 CA ARG A 9 219.197 256.994 245.453 1.00 0.00 C +ATOM 10 CA GLN A 10 217.259 257.843 242.285 1.00 0.00 C +ATOM 11 CA ARG A 11 216.699 259.844 239.091 1.00 0.00 C +ATOM 12 CA GLY A 12 219.395 261.507 236.974 1.00 0.00 C +ATOM 13 CA LYS A 13 222.632 261.477 238.984 1.00 0.00 C +ATOM 14 CA GLY A 14 225.681 259.199 239.167 1.00 0.00 C +ATOM 15 CA GLU A 15 228.207 256.443 239.901 1.00 0.00 C +ATOM 16 CA ILE A 16 228.745 252.734 240.584 1.00 0.00 C +ATOM 17 CA THR A 17 228.681 250.910 237.240 1.00 0.00 C +ATOM 18 CA PRO A 18 227.180 248.346 234.855 1.00 0.00 C +ATOM 19 CA ALA A 19 226.036 244.805 235.672 1.00 0.00 C +ATOM 20 CA ALA A 20 228.533 242.839 237.774 1.00 0.00 C +ATOM 21 CA ILE A 21 228.353 239.162 236.793 1.00 0.00 C +ATOM 22 CA GLN A 22 228.751 235.492 235.849 1.00 0.00 C +ATOM 23 CA LYS A 23 229.483 233.710 232.563 1.00 0.00 C +ATOM 24 CA VAL A 24 227.027 234.700 229.823 1.00 0.00 C +ATOM 25 CA SER A 25 224.357 237.331 230.507 1.00 0.00 C +ATOM 26 CA ARG A 26 220.896 235.981 229.665 1.00 0.00 C +ATOM 27 CA GLU A 27 218.531 238.788 228.644 1.00 0.00 C +ATOM 28 CA ARG A 28 215.015 239.817 229.692 1.00 0.00 C +ATOM 29 CA ARG A 29 214.986 240.559 233.429 1.00 0.00 C +ATOM 30 CA ARG A 30 212.060 242.540 234.854 1.00 0.00 C +ATOM 31 CA ASP A 31 211.636 246.079 233.509 1.00 0.00 C +ATOM 32 CA ALA A 32 214.114 247.099 230.802 1.00 0.00 C +ATOM 33 CA GLY A 33 216.774 249.439 229.399 1.00 0.00 C +ATOM 34 CA ARG A 34 220.513 249.597 228.684 1.00 0.00 C +ATOM 35 CA GLY A 35 222.927 251.980 226.950 1.00 0.00 C +ATOM 36 CA GLY A 36 223.791 254.185 223.966 1.00 0.00 C +ATOM 37 CA VAL A 37 227.308 255.650 223.951 1.00 0.00 C +ATOM 38 CA ALA A 38 229.508 257.970 221.879 1.00 0.00 C +ATOM 39 CA TRP A 39 231.707 261.081 221.822 1.00 0.00 C +ATOM 40 CA GLY A 40 230.779 264.076 219.658 1.00 0.00 C +ATOM 41 CA ARG A 41 229.280 266.905 221.723 1.00 0.00 C +ATOM 42 CA ALA A 42 230.385 269.438 224.345 1.00 0.00 C +ATOM 43 CA ASP A 43 234.007 270.284 223.519 1.00 0.00 C +ATOM 44 CA ALA A 44 237.240 271.570 221.967 1.00 0.00 C +ATOM 45 CA GLY A 45 238.477 269.486 219.027 1.00 0.00 C +ATOM 46 CA PHE A 46 240.105 271.374 216.146 1.00 0.00 C +ATOM 47 CA PRO A 47 242.562 274.286 216.125 1.00 0.00 C +ATOM 48 CA THR A 48 246.119 275.555 216.633 1.00 0.00 C +ATOM 49 CA GLU A 49 248.243 273.445 214.277 1.00 0.00 C +ATOM 50 CA PRO A 50 250.267 274.479 211.218 1.00 0.00 C +ATOM 51 CA PHE A 51 254.066 274.432 211.501 1.00 0.00 C +ATOM 52 CA GLY A 52 255.009 273.917 215.157 1.00 0.00 C +ATOM 53 CA ALA A 53 255.227 271.958 218.417 1.00 0.00 C +ATOM 54 CA CYS A 54 255.949 273.495 221.827 1.00 0.00 C +ATOM 55 CA SER A 55 253.896 275.756 224.105 1.00 0.00 C +ATOM 56 CA ALA A 56 252.291 274.768 227.416 1.00 0.00 C +ATOM 57 CA ARG A 57 253.381 271.626 229.275 1.00 0.00 C +ATOM 58 CA THR A 58 256.684 269.913 228.456 1.00 0.00 C +ATOM 59 CA LYS A 59 258.766 268.460 231.297 1.00 0.00 C +ATOM 60 CA ALA A 60 258.107 269.022 235.007 1.00 0.00 C +ATOM 61 CA LEU A 61 261.516 268.851 236.701 1.00 0.00 C +ATOM 62 CA ALA A 62 264.983 268.280 238.173 1.00 0.00 C +ATOM 63 CA THR A 63 267.066 265.896 240.294 1.00 0.00 C +ATOM 64 CA ALA A 64 268.772 265.051 243.594 1.00 0.00 C +ATOM 65 CA ALA A 65 271.518 267.308 244.966 1.00 0.00 C +ATOM 66 CA ARG A 66 274.322 269.179 246.742 1.00 0.00 C +ATOM 67 CA PHE A 67 273.396 270.642 250.136 1.00 0.00 C +ATOM 68 CA PRO A 68 271.911 268.466 252.888 1.00 0.00 C +ATOM 69 CA ARG A 69 272.150 268.947 256.660 1.00 0.00 C +ATOM 70 CA GLY A 70 269.616 271.463 257.988 1.00 0.00 C +ATOM 71 CA PRO A 71 270.145 275.233 257.825 1.00 0.00 C +ATOM 72 CA GLY A 72 272.447 275.881 254.859 1.00 0.00 C +ATOM 73 CA GLY A 73 271.217 277.581 251.679 1.00 0.00 C +ATOM 74 CA LEU A 74 270.652 281.260 252.492 1.00 0.00 C +ATOM 75 CA ALA A 75 268.759 282.647 249.490 1.00 0.00 C +ATOM 76 CA PRO A 76 269.131 281.647 245.832 1.00 0.00 C +ATOM 77 CA ARG A 77 268.697 281.832 242.052 1.00 0.00 C +ATOM 78 CA GLY A 78 265.370 280.200 241.168 1.00 0.00 C +ATOM 79 CA ARG A 79 261.965 280.260 242.878 1.00 0.00 C +ATOM 80 CA GLU A 80 258.372 280.246 244.145 1.00 0.00 C +ATOM 81 CA GLY A 81 255.126 278.263 243.930 1.00 0.00 C +ATOM 82 CA SER A 82 254.697 274.954 245.769 1.00 0.00 C +ATOM 83 CA GLY A 83 252.346 272.439 244.137 1.00 0.00 C +ATOM 84 CA PRO A 84 252.767 268.698 243.555 1.00 0.00 C +ATOM 85 CA GLU A 85 254.727 265.586 242.561 1.00 0.00 C +ATOM 86 CA THR A 86 258.515 265.179 242.629 1.00 0.00 C +ATOM 87 CA PRO A 87 262.083 264.065 243.367 1.00 0.00 C +ATOM 88 CA ALA A 88 263.396 260.535 243.944 1.00 0.00 C +ATOM 89 CA SER A 89 266.428 258.826 242.394 1.00 0.00 C +ATOM 90 CA PRO A 90 266.124 257.291 238.920 1.00 0.00 C +ATOM 91 CA ARG A 91 267.526 253.759 238.642 1.00 0.00 C +ATOM 92 CA ARG A 92 266.383 250.845 240.814 1.00 0.00 C +ATOM 93 CA ASP A 93 267.306 247.654 242.679 1.00 0.00 C +ATOM 94 CA PRO A 94 264.058 245.692 243.019 1.00 0.00 C +ATOM 95 CA THR A 95 263.826 243.655 246.230 1.00 0.00 C +ATOM 96 CA ARG A 96 264.556 240.080 245.135 1.00 0.00 C +ATOM 97 CA GLY A 97 263.316 239.907 241.537 1.00 0.00 C +ATOM 98 CA SER A 98 263.570 238.270 238.106 1.00 0.00 C +ATOM 99 CA PRO A 99 262.787 240.347 235.010 1.00 0.00 C +ATOM 100 CA THR A 100 261.045 243.690 235.566 1.00 0.00 C +ATOM 101 CA ARG A 101 260.006 247.319 236.078 1.00 0.00 C +ATOM 102 CA GLU A 102 260.486 250.423 238.235 1.00 0.00 C +ATOM 103 CA CYS A 103 260.863 253.927 236.786 1.00 0.00 C +ATOM 104 CA CYS A 104 258.348 256.785 236.942 1.00 0.00 C +ATOM 105 CA ALA A 105 257.553 257.597 240.578 1.00 0.00 C +ATOM 106 CA ALA A 106 257.435 259.091 244.081 1.00 0.00 C +ATOM 107 CA ASN A 107 258.674 256.850 246.902 1.00 0.00 C +ATOM 108 CA SER A 108 258.632 255.681 250.528 1.00 0.00 C +ATOM 109 CA SER A 109 255.045 255.940 251.786 1.00 0.00 C +ATOM 110 CA GLU A 110 254.661 257.245 255.344 1.00 0.00 C +ATOM 111 CA LEU A 111 254.716 254.976 258.404 1.00 0.00 C +ATOM 112 CA ARG A 112 255.634 252.946 261.495 1.00 0.00 C +ATOM 113 CA PRO A 113 253.275 250.290 262.871 1.00 0.00 C +ATOM 114 CA SER A 114 252.976 247.106 260.800 1.00 0.00 C +ATOM 115 CA SER A 115 252.377 243.411 261.513 1.00 0.00 C +ATOM 116 CA GLU A 116 252.320 239.805 262.741 1.00 0.00 C +ATOM 117 CA ASN A 117 250.566 239.344 266.091 1.00 0.00 C +ATOM 118 CA LEU A 118 250.727 237.421 269.376 1.00 0.00 C +ATOM 119 CA ARG A 119 253.406 234.889 270.341 1.00 0.00 C +ATOM 120 CA THR A 120 253.139 234.402 274.110 1.00 0.00 C +ATOM 121 CA PHE A 121 256.656 234.531 275.567 1.00 0.00 C +ATOM 122 CA ARG A 122 257.043 232.180 278.541 1.00 0.00 C +ATOM 123 CA ASN A 123 259.555 229.359 278.044 1.00 0.00 C +ATOM 124 CA VAL A 124 260.743 226.527 275.788 1.00 0.00 C +ATOM 125 CA SER A 125 263.049 225.297 273.016 1.00 0.00 C +ATOM 126 CA GLY A 126 261.984 222.451 270.718 1.00 0.00 C +ATOM 127 CA GLN A 127 258.917 220.862 272.328 1.00 0.00 C +ATOM 128 CA ALA A 128 256.038 219.082 270.579 1.00 0.00 C +ATOM 129 CA ARG A 129 253.076 221.401 269.974 1.00 0.00 C +ATOM 130 CA LYS A 130 249.455 220.235 269.769 1.00 0.00 C +ATOM 131 CA GLU A 131 247.048 223.143 270.280 1.00 0.00 C +ATOM 132 CA PRO A 132 246.419 224.942 273.580 1.00 0.00 C +ATOM 133 CA GLY A 133 246.191 223.806 277.209 1.00 0.00 C +ATOM 134 CA GLY A 134 246.289 225.757 280.480 1.00 0.00 C +ATOM 135 CA LEU A 135 247.096 229.376 281.356 1.00 0.00 C +ATOM 136 CA ARG A 136 249.559 230.830 283.873 1.00 0.00 C +ATOM 137 CA GLY A 137 252.580 231.757 286.001 1.00 0.00 C +ATOM 138 CA SER A 138 254.380 232.485 289.279 1.00 0.00 C +ATOM 139 CA PRO A 139 253.491 232.783 292.972 1.00 0.00 C +ATOM 140 CA GLY A 140 254.735 229.551 294.559 1.00 0.00 C +ATOM 141 CA SER A 141 257.827 227.995 292.966 1.00 0.00 C +ATOM 142 CA LEU A 142 257.814 224.579 291.278 1.00 0.00 C +ATOM 143 CA PRO A 143 260.465 222.553 293.117 1.00 0.00 C +ATOM 144 CA GLY A 144 263.667 222.644 295.180 1.00 0.00 C +ATOM 145 CA SER A 145 267.059 221.467 296.454 1.00 0.00 C +ATOM 146 CA HIS A 146 269.528 218.581 296.756 1.00 0.00 C +ATOM 147 CA PRO A 147 270.787 215.047 297.424 1.00 0.00 C +ATOM 148 CA GLY A 148 271.139 214.632 301.194 1.00 0.00 C +ATOM 149 CA SER A 149 274.758 213.611 301.811 1.00 0.00 C +ATOM 150 CA VAL A 150 276.802 210.835 300.189 1.00 0.00 C +ATOM 151 CA PRO A 151 280.502 211.311 299.413 1.00 0.00 C +ATOM 152 CA VAL A 152 282.973 214.128 298.723 1.00 0.00 C +ATOM 153 CA CYS A 153 286.569 215.308 299.162 1.00 0.00 C +ATOM 154 CA SER A 154 287.094 218.346 296.923 1.00 0.00 C +ATOM 155 CA ARG A 155 287.532 217.099 293.349 1.00 0.00 C +TER 156 ARG A 155 +END diff --git a/Mammals/Q3U4J1/Q3U4J1.dcd b/Mammals/Q3U4J1/Q3U4J1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..bc40ec283bec52b1f4765fe97ea230348372cc75 --- /dev/null +++ b/Mammals/Q3U4J1/Q3U4J1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f314125e592f98362fbf0553988065bd7b6af32d91a0b15e63b73b3609b577a4 +size 5960276 diff --git a/Mammals/Q3U4J1/top.pdb b/Mammals/Q3U4J1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..713d2a48e6272034bf7f5f48ac016737fcc33da6 --- /dev/null +++ b/Mammals/Q3U4J1/top.pdb @@ -0,0 +1,47 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 267.915 230.133 258.554 1.00 0.00 C +ATOM 2 CA SER A 2 264.330 230.489 257.313 1.00 0.00 C +ATOM 3 CA ALA A 3 263.689 232.579 254.192 1.00 0.00 C +ATOM 4 CA CYS A 4 264.330 233.148 250.480 1.00 0.00 C +ATOM 5 CA GLY A 5 261.988 235.757 248.989 1.00 0.00 C +ATOM 6 CA GLN A 6 260.420 238.058 251.590 1.00 0.00 C +ATOM 7 CA PRO A 7 257.158 236.949 253.218 1.00 0.00 C +ATOM 8 CA GLN A 8 254.193 236.373 255.540 1.00 0.00 C +ATOM 9 CA MET A 9 250.884 234.543 256.011 1.00 0.00 C +ATOM 10 CA GLY A 10 249.799 232.483 252.995 1.00 0.00 C +ATOM 11 CA LEU A 11 251.333 230.062 250.484 1.00 0.00 C +ATOM 12 CA ASN A 12 253.679 231.013 247.637 1.00 0.00 C +ATOM 13 CA SER A 13 251.657 232.180 244.626 1.00 0.00 C +ATOM 14 CA GLN A 14 249.958 231.216 241.355 1.00 0.00 C +ATOM 15 CA PRO A 15 246.919 233.482 240.979 1.00 0.00 C +ATOM 16 CA SER A 16 246.479 237.261 240.774 1.00 0.00 C +ATOM 17 CA CYS A 17 243.378 239.098 239.538 1.00 0.00 C +ATOM 18 CA LEU A 18 244.159 242.384 237.775 1.00 0.00 C +ATOM 19 CA HIS A 19 245.431 245.966 237.525 1.00 0.00 C +ATOM 20 CA LEU A 20 248.311 246.640 239.927 1.00 0.00 C +ATOM 21 CA PRO A 21 250.304 246.696 243.174 1.00 0.00 C +ATOM 22 CA ASP A 22 250.116 247.808 246.813 1.00 0.00 C +ATOM 23 CA ALA A 23 248.484 250.877 248.373 1.00 0.00 C +ATOM 24 CA GLY A 24 245.636 252.346 246.313 1.00 0.00 C +ATOM 25 CA PRO A 25 245.821 255.772 244.657 1.00 0.00 C +ATOM 26 CA GLN A 26 246.522 259.382 243.660 1.00 0.00 C +ATOM 27 CA MET A 27 248.552 262.483 244.542 1.00 0.00 C +ATOM 28 CA HIS A 28 249.931 265.777 245.870 1.00 0.00 C +ATOM 29 CA SER A 29 250.607 269.168 244.269 1.00 0.00 C +ATOM 30 CA ASN A 30 250.651 271.986 246.833 1.00 0.00 C +ATOM 31 CA SER A 31 247.609 273.194 248.783 1.00 0.00 C +ATOM 32 CA LEU A 32 243.946 274.165 248.382 1.00 0.00 C +ATOM 33 CA THR A 33 241.784 271.138 249.207 1.00 0.00 C +ATOM 34 CA LEU A 34 242.654 270.178 252.790 1.00 0.00 C +ATOM 35 CA ARG A 35 243.599 271.536 256.222 1.00 0.00 C +ATOM 36 CA VAL A 36 243.572 269.969 259.695 1.00 0.00 C +ATOM 37 CA SER A 37 243.808 266.222 260.341 1.00 0.00 C +ATOM 38 CA LEU A 38 246.794 265.206 262.478 1.00 0.00 C +ATOM 39 CA LYS A 39 249.371 262.696 261.225 1.00 0.00 C +ATOM 40 CA SER A 40 249.641 258.955 261.896 1.00 0.00 C +ATOM 41 CA GLU A 41 246.695 256.879 260.658 1.00 0.00 C +ATOM 42 CA LEU A 42 245.482 257.750 257.153 1.00 0.00 C +ATOM 43 CA HIS A 43 242.412 260.005 257.165 1.00 0.00 C +TER 44 HIS A 43 +END diff --git a/Mammals/Q3U503/Q3U503.dcd b/Mammals/Q3U503/Q3U503.dcd new file mode 100644 index 0000000000000000000000000000000000000000..9f0cc74ee67ded8d3989ffd25c7835aadd658eb7 --- /dev/null +++ b/Mammals/Q3U503/Q3U503.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9e2c09aa8c684a3d456219f6961e05593e5cdf94e96be416e8bf76585266289b +size 49800276 diff --git a/Mammals/Q3U503/top.pdb b/Mammals/Q3U503/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..54599a229700bc98ba2ced76714363b4d7a3196e --- /dev/null +++ b/Mammals/Q3U503/top.pdb @@ -0,0 +1,274 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA SER A 1 178.674 295.038 235.113 1.00 0.00 C +ATOM 2 CA PHE A 2 181.746 295.460 237.326 1.00 0.00 C +ATOM 3 CA ARG A 3 182.938 297.694 240.173 1.00 0.00 C +ATOM 4 CA LYS A 4 182.316 301.170 241.603 1.00 0.00 C +ATOM 5 CA HIS A 5 185.004 303.861 241.373 1.00 0.00 C +ATOM 6 CA GLY A 6 188.345 305.613 240.838 1.00 0.00 C +ATOM 7 CA LEU A 7 189.746 306.719 244.204 1.00 0.00 C +ATOM 8 CA THR A 8 190.597 307.843 247.744 1.00 0.00 C +ATOM 9 CA HIS A 9 191.176 307.137 251.443 1.00 0.00 C +ATOM 10 CA GLU A 10 190.090 309.066 254.543 1.00 0.00 C +ATOM 11 CA GLU A 11 192.232 307.789 257.424 1.00 0.00 C +ATOM 12 CA LEU A 12 195.909 306.932 257.934 1.00 0.00 C +ATOM 13 CA LYS A 13 196.862 304.900 261.013 1.00 0.00 C +ATOM 14 CA SER A 14 199.880 302.850 262.108 1.00 0.00 C +ATOM 15 CA PRO A 15 201.659 303.766 265.351 1.00 0.00 C +ATOM 16 CA ARG A 16 203.265 301.067 267.509 1.00 0.00 C +ATOM 17 CA GLU A 17 202.446 297.414 268.214 1.00 0.00 C +ATOM 18 CA PRO A 18 200.742 297.160 271.612 1.00 0.00 C +ATOM 19 CA GLY A 19 199.821 295.656 274.989 1.00 0.00 C +ATOM 20 CA TYR A 20 200.216 292.870 277.558 1.00 0.00 C +ATOM 21 CA LYS A 21 200.261 289.318 276.182 1.00 0.00 C +ATOM 22 CA ALA A 22 202.490 286.329 275.394 1.00 0.00 C +ATOM 23 CA GLU A 23 205.681 284.627 276.591 1.00 0.00 C +ATOM 24 CA GLY A 24 209.199 285.922 275.909 1.00 0.00 C +ATOM 25 CA LYS A 25 212.418 287.475 274.591 1.00 0.00 C +ATOM 26 CA TYR A 26 214.823 285.358 272.530 1.00 0.00 C +ATOM 27 CA LYS A 27 217.577 282.784 273.087 1.00 0.00 C +ATOM 28 CA ASP A 28 219.406 281.537 276.187 1.00 0.00 C +ATOM 29 CA ASP A 29 223.116 282.372 275.966 1.00 0.00 C +ATOM 30 CA PRO A 30 225.560 282.612 273.052 1.00 0.00 C +ATOM 31 CA VAL A 31 226.495 280.319 270.156 1.00 0.00 C +ATOM 32 CA ASP A 32 229.692 280.410 268.086 1.00 0.00 C +ATOM 33 CA LEU A 33 233.117 278.905 268.808 1.00 0.00 C +ATOM 34 CA ARG A 34 233.305 276.351 271.630 1.00 0.00 C +ATOM 35 CA LEU A 35 235.844 274.525 273.805 1.00 0.00 C +ATOM 36 CA ASP A 36 238.999 274.115 275.901 1.00 0.00 C +ATOM 37 CA ILE A 37 242.379 275.704 276.652 1.00 0.00 C +ATOM 38 CA GLU A 38 245.587 277.119 278.144 1.00 0.00 C +ATOM 39 CA ARG A 39 248.605 279.411 278.541 1.00 0.00 C +ATOM 40 CA ARG A 40 249.597 281.960 281.193 1.00 0.00 C +ATOM 41 CA LYS A 41 248.974 283.377 284.674 1.00 0.00 C +ATOM 42 CA LYS A 42 248.364 286.369 286.953 1.00 0.00 C +ATOM 43 CA HIS A 43 245.880 289.018 285.801 1.00 0.00 C +ATOM 44 CA LYS A 44 246.310 290.858 282.493 1.00 0.00 C +ATOM 45 CA GLU A 45 245.778 293.353 279.663 1.00 0.00 C +ATOM 46 CA ARG A 46 244.235 296.795 279.123 1.00 0.00 C +ATOM 47 CA ASP A 47 243.949 299.558 276.516 1.00 0.00 C +ATOM 48 CA LEU A 48 247.435 300.675 275.463 1.00 0.00 C +ATOM 49 CA LYS A 49 250.899 299.230 274.808 1.00 0.00 C +ATOM 50 CA ARG A 50 254.278 298.884 273.081 1.00 0.00 C +ATOM 51 CA GLY A 51 257.621 299.618 274.755 1.00 0.00 C +ATOM 52 CA LYS A 52 260.394 297.030 274.400 1.00 0.00 C +ATOM 53 CA SER A 53 261.367 293.910 276.358 1.00 0.00 C +ATOM 54 CA ARG A 54 262.529 290.353 277.074 1.00 0.00 C +ATOM 55 CA GLU A 55 265.266 288.717 274.988 1.00 0.00 C +ATOM 56 CA SER A 56 266.040 284.987 274.911 1.00 0.00 C +ATOM 57 CA VAL A 57 268.101 282.751 272.616 1.00 0.00 C +ATOM 58 CA ASP A 58 268.804 282.151 268.919 1.00 0.00 C +ATOM 59 CA SER A 59 266.206 280.963 266.397 1.00 0.00 C +ATOM 60 CA ARG A 60 263.086 278.778 266.334 1.00 0.00 C +ATOM 61 CA ASP A 61 264.014 275.447 267.933 1.00 0.00 C +ATOM 62 CA SER A 62 263.058 271.906 268.965 1.00 0.00 C +ATOM 63 CA SER A 63 265.637 270.564 271.428 1.00 0.00 C +ATOM 64 CA HIS A 64 266.236 267.134 272.973 1.00 0.00 C +ATOM 65 CA SER A 65 269.289 265.801 274.823 1.00 0.00 C +ATOM 66 CA ARG A 66 272.277 263.449 275.054 1.00 0.00 C +ATOM 67 CA GLU A 67 274.430 263.537 271.912 1.00 0.00 C +ATOM 68 CA ARG A 68 272.488 263.399 268.637 1.00 0.00 C +ATOM 69 CA SER A 69 271.825 265.783 265.739 1.00 0.00 C +ATOM 70 CA THR A 70 269.920 268.985 266.535 1.00 0.00 C +ATOM 71 CA GLU A 71 270.610 272.318 264.825 1.00 0.00 C +ATOM 72 CA LYS A 72 269.963 273.551 261.278 1.00 0.00 C +ATOM 73 CA THR A 73 270.659 272.656 257.641 1.00 0.00 C +ATOM 74 CA GLU A 74 268.189 269.908 256.712 1.00 0.00 C +ATOM 75 CA LYS A 75 266.901 267.257 254.297 1.00 0.00 C +ATOM 76 CA THR A 76 263.676 266.377 252.470 1.00 0.00 C +ATOM 77 CA HIS A 77 263.557 264.695 249.053 1.00 0.00 C +ATOM 78 CA LYS A 78 263.034 260.960 248.516 1.00 0.00 C +ATOM 79 CA GLY A 79 263.620 257.867 246.370 1.00 0.00 C +ATOM 80 CA SER A 80 262.451 257.203 242.805 1.00 0.00 C +ATOM 81 CA LYS A 81 261.769 254.164 240.610 1.00 0.00 C +ATOM 82 CA LYS A 82 261.320 251.237 238.213 1.00 0.00 C +ATOM 83 CA GLN A 83 263.624 250.425 235.289 1.00 0.00 C +ATOM 84 CA LYS A 84 263.926 251.108 231.553 1.00 0.00 C +ATOM 85 CA LYS A 85 265.274 249.365 228.444 1.00 0.00 C +ATOM 86 CA HIS A 86 266.347 245.753 229.009 1.00 0.00 C +ATOM 87 CA ARG A 87 266.743 244.319 225.502 1.00 0.00 C +ATOM 88 CA ARG A 88 263.485 245.123 223.697 1.00 0.00 C +ATOM 89 CA ALA A 89 262.008 248.607 223.252 1.00 0.00 C +ATOM 90 CA ARG A 90 258.747 249.634 224.934 1.00 0.00 C +ATOM 91 CA ASP A 91 255.535 248.188 226.384 1.00 0.00 C +ATOM 92 CA ARG A 92 252.174 246.809 225.236 1.00 0.00 C +ATOM 93 CA SER A 93 249.556 249.361 226.310 1.00 0.00 C +ATOM 94 CA ARG A 94 246.511 249.511 224.026 1.00 0.00 C +ATOM 95 CA SER A 95 244.817 246.108 223.774 1.00 0.00 C +ATOM 96 CA SER A 96 241.390 244.465 223.494 1.00 0.00 C +ATOM 97 CA SER A 97 238.063 246.322 223.502 1.00 0.00 C +ATOM 98 CA SER A 98 234.448 245.318 224.166 1.00 0.00 C +ATOM 99 CA SER A 99 231.631 247.202 222.426 1.00 0.00 C +ATOM 100 CA SER A 100 231.818 250.870 223.440 1.00 0.00 C +ATOM 101 CA GLN A 101 231.284 253.277 226.345 1.00 0.00 C +ATOM 102 CA SER A 102 229.474 255.261 229.048 1.00 0.00 C +ATOM 103 CA SER A 103 230.753 255.616 232.619 1.00 0.00 C +ATOM 104 CA HIS A 104 231.555 255.158 236.316 1.00 0.00 C +ATOM 105 CA SER A 105 229.236 252.403 237.562 1.00 0.00 C +ATOM 106 CA TYR A 106 226.033 250.364 237.257 1.00 0.00 C +ATOM 107 CA LYS A 107 226.294 246.909 238.841 1.00 0.00 C +ATOM 108 CA ALA A 108 222.981 245.167 238.128 1.00 0.00 C +ATOM 109 CA GLU A 109 220.986 243.552 240.944 1.00 0.00 C +ATOM 110 CA GLU A 110 222.391 243.667 244.484 1.00 0.00 C +ATOM 111 CA TYR A 111 224.844 245.585 246.679 1.00 0.00 C +ATOM 112 CA PRO A 112 224.150 249.330 246.564 1.00 0.00 C +ATOM 113 CA GLU A 113 227.460 251.093 247.237 1.00 0.00 C +ATOM 114 CA GLU A 114 230.381 248.736 246.585 1.00 0.00 C +ATOM 115 CA ALA A 115 231.200 247.002 249.878 1.00 0.00 C +ATOM 116 CA GLU A 116 231.090 248.911 253.173 1.00 0.00 C +ATOM 117 CA GLU A 117 230.365 247.036 256.410 1.00 0.00 C +ATOM 118 CA ARG A 118 229.227 243.412 256.704 1.00 0.00 C +ATOM 119 CA GLU A 119 225.999 242.144 255.126 1.00 0.00 C +ATOM 120 CA GLU A 120 222.791 241.941 253.080 1.00 0.00 C +ATOM 121 CA SER A 121 219.537 243.058 251.444 1.00 0.00 C +ATOM 122 CA THR A 122 218.962 246.492 249.897 1.00 0.00 C +ATOM 123 CA SER A 123 216.018 247.906 247.935 1.00 0.00 C +ATOM 124 CA GLY A 124 212.379 248.104 249.045 1.00 0.00 C +ATOM 125 CA PHE A 125 209.715 250.073 247.162 1.00 0.00 C +ATOM 126 CA ASP A 126 208.499 253.634 247.755 1.00 0.00 C +ATOM 127 CA LYS A 127 211.227 256.251 247.280 1.00 0.00 C +ATOM 128 CA SER A 128 213.864 258.499 248.863 1.00 0.00 C +ATOM 129 CA ARG A 129 211.968 261.629 249.925 1.00 0.00 C +ATOM 130 CA LEU A 130 212.107 261.763 253.731 1.00 0.00 C +ATOM 131 CA GLY A 131 213.961 261.180 257.007 1.00 0.00 C +ATOM 132 CA THR A 132 212.277 259.953 260.197 1.00 0.00 C +ATOM 133 CA LYS A 133 211.823 260.846 263.873 1.00 0.00 C +ATOM 134 CA ASP A 134 215.068 259.870 265.615 1.00 0.00 C +ATOM 135 CA PHE A 135 218.735 259.292 266.473 1.00 0.00 C +ATOM 136 CA VAL A 136 221.131 258.230 263.707 1.00 0.00 C +ATOM 137 CA GLY A 137 221.245 259.514 260.122 1.00 0.00 C +ATOM 138 CA PRO A 138 224.639 261.221 259.834 1.00 0.00 C +ATOM 139 CA ASN A 139 228.323 260.827 260.721 1.00 0.00 C +ATOM 140 CA GLU A 140 230.928 258.694 258.938 1.00 0.00 C +ATOM 141 CA ARG A 141 231.676 256.246 256.115 1.00 0.00 C +ATOM 142 CA GLY A 142 231.264 257.168 252.441 1.00 0.00 C +ATOM 143 CA GLY A 143 231.986 259.863 249.847 1.00 0.00 C +ATOM 144 CA ARG A 144 233.650 261.660 246.929 1.00 0.00 C +ATOM 145 CA ALA A 145 235.911 264.702 246.535 1.00 0.00 C +ATOM 146 CA ARG A 146 239.673 265.301 246.490 1.00 0.00 C +ATOM 147 CA GLY A 147 242.007 267.412 248.638 1.00 0.00 C +ATOM 148 CA THR A 148 244.223 265.140 250.746 1.00 0.00 C +ATOM 149 CA PHE A 149 243.887 266.239 254.379 1.00 0.00 C +ATOM 150 CA GLN A 150 243.069 266.381 258.097 1.00 0.00 C +ATOM 151 CA PHE A 151 241.047 264.649 260.823 1.00 0.00 C +ATOM 152 CA ARG A 152 243.386 264.534 263.828 1.00 0.00 C +ATOM 153 CA ALA A 153 245.033 265.090 267.218 1.00 0.00 C +ATOM 154 CA ARG A 154 247.784 262.511 267.760 1.00 0.00 C +ATOM 155 CA GLY A 155 250.150 259.579 268.329 1.00 0.00 C +ATOM 156 CA ARG A 156 252.960 258.425 266.029 1.00 0.00 C +ATOM 157 CA GLY A 157 254.639 255.203 264.881 1.00 0.00 C +ATOM 158 CA TRP A 158 257.123 253.026 266.779 1.00 0.00 C +ATOM 159 CA GLY A 159 260.151 250.874 265.933 1.00 0.00 C +ATOM 160 CA ARG A 160 261.259 251.068 262.293 1.00 0.00 C +ATOM 161 CA GLY A 161 258.897 252.983 259.998 1.00 0.00 C +ATOM 162 CA ASN A 162 259.061 254.732 256.617 1.00 0.00 C +ATOM 163 CA TYR A 163 260.281 256.923 253.749 1.00 0.00 C +ATOM 164 CA SER A 164 262.550 259.655 255.129 1.00 0.00 C +ATOM 165 CA GLY A 165 266.079 261.031 254.719 1.00 0.00 C +ATOM 166 CA ASN A 166 268.639 260.921 257.538 1.00 0.00 C +ATOM 167 CA ASN A 167 271.778 258.993 258.512 1.00 0.00 C +ATOM 168 CA ASN A 168 273.726 255.967 259.762 1.00 0.00 C +ATOM 169 CA ASN A 169 275.055 254.191 262.860 1.00 0.00 C +ATOM 170 CA ASN A 170 276.856 251.771 265.187 1.00 0.00 C +ATOM 171 CA SER A 171 278.449 248.460 266.196 1.00 0.00 C +ATOM 172 CA ASN A 172 278.537 244.880 267.497 1.00 0.00 C +ATOM 173 CA ASN A 173 277.888 242.292 270.216 1.00 0.00 C +ATOM 174 CA ASP A 174 277.971 240.040 273.288 1.00 0.00 C +ATOM 175 CA PHE A 175 279.070 238.005 276.316 1.00 0.00 C +ATOM 176 CA GLN A 176 280.322 235.742 279.114 1.00 0.00 C +ATOM 177 CA LYS A 177 282.136 233.229 281.330 1.00 0.00 C +ATOM 178 CA ARG A 178 280.047 231.954 284.250 1.00 0.00 C +ATOM 179 CA SER A 179 277.021 229.692 284.739 1.00 0.00 C +ATOM 180 CA ARG A 180 275.429 228.380 281.536 1.00 0.00 C +ATOM 181 CA GLU A 181 277.431 227.206 278.515 1.00 0.00 C +ATOM 182 CA GLU A 182 276.071 227.078 274.959 1.00 0.00 C +ATOM 183 CA GLU A 183 277.416 224.315 272.706 1.00 0.00 C +ATOM 184 CA TRP A 184 281.144 224.994 272.319 1.00 0.00 C +ATOM 185 CA ASP A 185 284.632 223.709 271.482 1.00 0.00 C +ATOM 186 CA PRO A 186 285.121 221.577 268.363 1.00 0.00 C +ATOM 187 CA GLU A 187 286.731 220.388 265.121 1.00 0.00 C +ATOM 188 CA TYR A 188 285.712 219.180 261.655 1.00 0.00 C +ATOM 189 CA THR A 189 287.701 217.075 259.179 1.00 0.00 C +ATOM 190 CA PRO A 190 287.839 215.065 255.945 1.00 0.00 C +ATOM 191 CA LYS A 191 285.408 213.854 253.273 1.00 0.00 C +ATOM 192 CA SER A 192 285.284 211.117 250.626 1.00 0.00 C +ATOM 193 CA LYS A 193 285.123 210.704 246.841 1.00 0.00 C +ATOM 194 CA LYS A 194 283.295 211.274 243.547 1.00 0.00 C +ATOM 195 CA TYR A 195 285.466 210.536 240.505 1.00 0.00 C +ATOM 196 CA TYR A 196 288.378 210.777 238.059 1.00 0.00 C +ATOM 197 CA LEU A 197 291.601 211.803 239.812 1.00 0.00 C +ATOM 198 CA HIS A 198 294.463 211.423 242.299 1.00 0.00 C +ATOM 199 CA ASP A 199 295.079 214.964 243.563 1.00 0.00 C +ATOM 200 CA ASP A 200 295.329 218.681 242.766 1.00 0.00 C +ATOM 201 CA ARG A 201 293.488 220.812 240.200 1.00 0.00 C +ATOM 202 CA GLU A 202 289.856 221.795 239.600 1.00 0.00 C +ATOM 203 CA GLY A 203 287.923 220.222 236.718 1.00 0.00 C +ATOM 204 CA GLU A 204 285.666 217.613 235.102 1.00 0.00 C +ATOM 205 CA GLY A 205 283.220 215.091 236.577 1.00 0.00 C +ATOM 206 CA SER A 206 280.171 216.053 238.649 1.00 0.00 C +ATOM 207 CA ASP A 207 278.769 217.855 241.699 1.00 0.00 C +ATOM 208 CA LYS A 208 276.714 221.046 242.038 1.00 0.00 C +ATOM 209 CA TRP A 209 275.431 222.755 238.884 1.00 0.00 C +ATOM 210 CA MET A 210 272.444 222.127 236.603 1.00 0.00 C +ATOM 211 CA GLY A 211 271.264 225.283 234.824 1.00 0.00 C +ATOM 212 CA ARG A 212 267.682 226.530 235.177 1.00 0.00 C +ATOM 213 CA GLY A 213 264.255 225.405 233.949 1.00 0.00 C +ATOM 214 CA ARG A 214 261.624 228.084 233.302 1.00 0.00 C +ATOM 215 CA GLY A 215 258.449 229.317 235.009 1.00 0.00 C +ATOM 216 CA ARG A 216 256.559 230.841 237.945 1.00 0.00 C +ATOM 217 CA GLY A 217 255.758 233.927 240.032 1.00 0.00 C +ATOM 218 CA ALA A 218 252.593 236.033 239.784 1.00 0.00 C +ATOM 219 CA PHE A 219 250.376 235.345 236.763 1.00 0.00 C +ATOM 220 CA PRO A 220 248.606 232.037 237.424 1.00 0.00 C +ATOM 221 CA ARG A 221 250.663 229.341 235.688 1.00 0.00 C +ATOM 222 CA GLY A 222 250.281 225.865 234.175 1.00 0.00 C +ATOM 223 CA ARG A 223 247.798 224.735 231.515 1.00 0.00 C +ATOM 224 CA GLY A 224 249.471 224.428 228.106 1.00 0.00 C +ATOM 225 CA ARG A 225 252.016 223.863 225.328 1.00 0.00 C +ATOM 226 CA PHE A 226 255.514 222.749 226.349 1.00 0.00 C +ATOM 227 CA MET A 227 258.799 222.123 224.525 1.00 0.00 C +ATOM 228 CA PHE A 228 262.263 221.827 222.965 1.00 0.00 C +ATOM 229 CA ARG A 229 264.351 223.183 220.082 1.00 0.00 C +ATOM 230 CA LYS A 230 264.150 224.939 216.707 1.00 0.00 C +ATOM 231 CA SER A 231 262.749 224.047 213.278 1.00 0.00 C +ATOM 232 CA SER A 232 265.186 222.400 210.856 1.00 0.00 C +ATOM 233 CA THR A 233 268.461 221.914 208.971 1.00 0.00 C +ATOM 234 CA SER A 234 271.932 221.827 210.541 1.00 0.00 C +ATOM 235 CA PRO A 235 273.324 223.414 213.712 1.00 0.00 C +ATOM 236 CA LYS A 236 276.965 223.249 214.824 1.00 0.00 C +ATOM 237 CA TRP A 237 278.731 220.169 216.205 1.00 0.00 C +ATOM 238 CA ALA A 238 279.558 220.307 219.922 1.00 0.00 C +ATOM 239 CA HIS A 239 282.270 220.367 222.597 1.00 0.00 C +ATOM 240 CA ASP A 240 283.865 219.687 225.989 1.00 0.00 C +ATOM 241 CA LYS A 241 282.779 222.560 228.244 1.00 0.00 C +ATOM 242 CA PHE A 242 281.137 222.140 231.657 1.00 0.00 C +ATOM 243 CA SER A 243 278.816 219.540 233.196 1.00 0.00 C +ATOM 244 CA GLY A 244 276.058 217.092 234.151 1.00 0.00 C +ATOM 245 CA GLU A 245 272.693 216.637 232.422 1.00 0.00 C +ATOM 246 CA GLU A 246 269.896 214.356 231.202 1.00 0.00 C +ATOM 247 CA GLY A 247 266.859 212.065 230.999 1.00 0.00 C +ATOM 248 CA GLU A 248 264.084 210.677 228.788 1.00 0.00 C +ATOM 249 CA ILE A 249 265.077 208.516 225.811 1.00 0.00 C +ATOM 250 CA GLU A 250 266.965 205.256 226.379 1.00 0.00 C +ATOM 251 CA ASP A 251 268.807 203.049 223.879 1.00 0.00 C +ATOM 252 CA ASP A 252 269.815 199.386 224.171 1.00 0.00 C +ATOM 253 CA GLU A 253 269.413 198.048 227.716 1.00 0.00 C +ATOM 254 CA SER A 254 268.716 194.308 227.516 1.00 0.00 C +ATOM 255 CA GLY A 255 269.087 193.412 223.832 1.00 0.00 C +ATOM 256 CA THR A 256 267.829 189.852 223.323 1.00 0.00 C +ATOM 257 CA GLU A 257 264.610 189.235 225.266 1.00 0.00 C +ATOM 258 CA ASN A 258 262.315 191.022 227.727 1.00 0.00 C +ATOM 259 CA ARG A 259 261.010 194.296 226.279 1.00 0.00 C +ATOM 260 CA GLU A 260 263.542 196.432 224.396 1.00 0.00 C +ATOM 261 CA GLU A 261 262.984 198.407 221.186 1.00 0.00 C +ATOM 262 CA LYS A 262 262.371 202.163 221.007 1.00 0.00 C +ATOM 263 CA ASP A 263 259.733 203.094 223.594 1.00 0.00 C +ATOM 264 CA SER A 264 257.015 202.328 226.152 1.00 0.00 C +ATOM 265 CA LEU A 265 256.847 202.998 229.899 1.00 0.00 C +ATOM 266 CA GLN A 266 254.920 206.008 231.216 1.00 0.00 C +ATOM 267 CA PRO A 267 253.704 208.170 228.324 1.00 0.00 C +ATOM 268 CA SER A 268 250.557 209.759 226.879 1.00 0.00 C +ATOM 269 CA ALA A 269 249.386 212.945 225.149 1.00 0.00 C +ATOM 270 CA GLU A 270 248.637 216.197 223.310 1.00 0.00 C +TER 271 GLU A 270 +END diff --git a/Mammals/Q3U5A8/Q3U5A8.dcd b/Mammals/Q3U5A8/Q3U5A8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..3b8d79e9f3f92f8783ac615f7585ab1da7bc1878 --- /dev/null +++ b/Mammals/Q3U5A8/Q3U5A8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1f0f7d84dfd65b674153e8b04df7ab222446b730ab2e6e53c5e4465798857795 +size 22040276 diff --git a/Mammals/Q3U5A8/top.pdb b/Mammals/Q3U5A8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b859cbed7ebbff798c831ce373fd26344b4b6f7b --- /dev/null +++ b/Mammals/Q3U5A8/top.pdb @@ -0,0 +1,181 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 248.910 208.135 233.397 1.00 0.00 C +ATOM 2 CA LEU A 2 247.881 204.486 233.775 1.00 0.00 C +ATOM 3 CA SER A 3 249.615 202.673 230.907 1.00 0.00 C +ATOM 4 CA LEU A 4 252.421 203.733 228.558 1.00 0.00 C +ATOM 5 CA SER A 5 256.040 204.022 229.711 1.00 0.00 C +ATOM 6 CA LEU A 6 258.234 207.003 228.808 1.00 0.00 C +ATOM 7 CA GLU A 7 261.846 207.589 229.867 1.00 0.00 C +ATOM 8 CA TRP A 8 265.115 207.691 227.912 1.00 0.00 C +ATOM 9 CA ARG A 9 268.655 209.071 227.630 1.00 0.00 C +ATOM 10 CA ALA A 10 270.233 209.935 230.989 1.00 0.00 C +ATOM 11 CA GLN A 11 272.122 211.046 234.105 1.00 0.00 C +ATOM 12 CA GLY A 12 274.994 209.663 236.192 1.00 0.00 C +ATOM 13 CA GLY A 13 278.300 210.685 237.786 1.00 0.00 C +ATOM 14 CA LYS A 14 281.130 209.203 235.709 1.00 0.00 C +ATOM 15 CA VAL A 15 281.994 211.712 232.975 1.00 0.00 C +ATOM 16 CA PRO A 16 284.240 214.505 231.681 1.00 0.00 C +ATOM 17 CA GLU A 17 287.675 213.949 233.233 1.00 0.00 C +ATOM 18 CA GLY A 18 288.910 216.859 235.360 1.00 0.00 C +ATOM 19 CA HIS A 19 288.472 220.569 236.109 1.00 0.00 C +ATOM 20 CA SER A 20 286.101 223.133 237.632 1.00 0.00 C +ATOM 21 CA PRO A 21 283.971 225.180 240.038 1.00 0.00 C +ATOM 22 CA PRO A 22 281.714 223.317 242.477 1.00 0.00 C +ATOM 23 CA ARG A 23 279.369 220.417 241.695 1.00 0.00 C +ATOM 24 CA GLY A 24 280.315 216.798 242.421 1.00 0.00 C +ATOM 25 CA LEU A 25 281.382 213.424 243.831 1.00 0.00 C +ATOM 26 CA LEU A 26 281.624 212.216 247.437 1.00 0.00 C +ATOM 27 CA GLY A 27 279.629 209.283 248.825 1.00 0.00 C +ATOM 28 CA GLY A 28 275.945 210.138 248.366 1.00 0.00 C +ATOM 29 CA ALA A 29 274.191 211.695 251.369 1.00 0.00 C +ATOM 30 CA PRO A 30 273.993 215.229 252.778 1.00 0.00 C +ATOM 31 CA ALA A 31 272.151 218.564 252.717 1.00 0.00 C +ATOM 32 CA GLY A 32 271.272 219.228 256.365 1.00 0.00 C +ATOM 33 CA ALA A 33 268.991 221.928 257.787 1.00 0.00 C +ATOM 34 CA PRO A 34 265.480 220.700 258.614 1.00 0.00 C +ATOM 35 CA GLY A 35 262.609 219.147 256.649 1.00 0.00 C +ATOM 36 CA ILE A 36 259.267 219.613 254.880 1.00 0.00 C +ATOM 37 CA LYS A 37 255.939 218.825 253.200 1.00 0.00 C +ATOM 38 CA GLU A 38 252.816 220.655 254.388 1.00 0.00 C +ATOM 39 CA ALA A 39 250.121 223.168 255.358 1.00 0.00 C +ATOM 40 CA ARG A 40 249.305 225.869 257.918 1.00 0.00 C +ATOM 41 CA SER A 41 249.096 224.774 261.562 1.00 0.00 C +ATOM 42 CA SER A 42 248.760 224.205 265.314 1.00 0.00 C +ATOM 43 CA ALA A 43 245.855 225.137 267.595 1.00 0.00 C +ATOM 44 CA GLY A 44 243.433 224.034 270.322 1.00 0.00 C +ATOM 45 CA HIS A 45 242.152 221.336 272.687 1.00 0.00 C +ATOM 46 CA ARG A 46 239.657 222.678 275.234 1.00 0.00 C +ATOM 47 CA VAL A 47 239.023 224.918 278.251 1.00 0.00 C +ATOM 48 CA ALA A 48 238.134 224.064 281.856 1.00 0.00 C +ATOM 49 CA PRO A 49 234.858 225.894 282.516 1.00 0.00 C +ATOM 50 CA GLY A 50 233.783 229.421 283.473 1.00 0.00 C +ATOM 51 CA SER A 51 231.853 232.702 283.320 1.00 0.00 C +ATOM 52 CA ARG A 52 232.885 236.179 282.151 1.00 0.00 C +ATOM 53 CA GLY A 53 233.076 239.816 281.035 1.00 0.00 C +ATOM 54 CA ARG A 54 229.518 240.774 280.063 1.00 0.00 C +ATOM 55 CA ALA A 55 226.005 242.234 280.263 1.00 0.00 C +ATOM 56 CA GLY A 56 225.631 243.862 283.687 1.00 0.00 C +ATOM 57 CA SER A 57 224.832 247.319 285.077 1.00 0.00 C +ATOM 58 CA LEU A 58 223.197 250.616 284.095 1.00 0.00 C +ATOM 59 CA SER A 59 223.480 253.869 282.131 1.00 0.00 C +ATOM 60 CA GLY A 60 226.037 254.254 279.333 1.00 0.00 C +ATOM 61 CA LEU A 61 225.808 257.578 277.485 1.00 0.00 C +ATOM 62 CA PRO A 62 228.444 258.132 274.791 1.00 0.00 C +ATOM 63 CA ALA A 63 228.214 256.884 271.198 1.00 0.00 C +ATOM 64 CA ALA A 64 229.459 256.233 267.657 1.00 0.00 C +ATOM 65 CA GLU A 65 232.371 256.860 265.281 1.00 0.00 C +ATOM 66 CA SER A 66 230.837 256.789 261.794 1.00 0.00 C +ATOM 67 CA ALA A 67 227.161 255.969 261.224 1.00 0.00 C +ATOM 68 CA ALA A 68 223.650 256.217 262.684 1.00 0.00 C +ATOM 69 CA SER A 69 220.078 254.975 262.219 1.00 0.00 C +ATOM 70 CA CYS A 70 219.431 251.513 263.671 1.00 0.00 C +ATOM 71 CA ARG A 71 215.990 250.175 264.613 1.00 0.00 C +ATOM 72 CA GLY A 72 212.891 252.361 264.985 1.00 0.00 C +ATOM 73 CA VAL A 73 211.947 254.745 262.168 1.00 0.00 C +ATOM 74 CA ARG A 74 208.847 254.041 260.067 1.00 0.00 C +ATOM 75 CA ARG A 75 206.421 251.104 260.044 1.00 0.00 C +ATOM 76 CA GLU A 76 204.554 247.931 261.028 1.00 0.00 C +ATOM 77 CA PRO A 77 201.330 246.324 262.267 1.00 0.00 C +ATOM 78 CA ARG A 78 200.330 243.032 263.905 1.00 0.00 C +ATOM 79 CA SER A 79 197.428 240.696 264.704 1.00 0.00 C +ATOM 80 CA ALA A 80 195.069 240.464 261.721 1.00 0.00 C +ATOM 81 CA PRO A 81 196.137 243.036 259.121 1.00 0.00 C +ATOM 82 CA PRO A 82 195.225 243.028 255.422 1.00 0.00 C +ATOM 83 CA ALA A 83 195.996 243.756 251.762 1.00 0.00 C +ATOM 84 CA SER A 84 196.105 240.580 249.661 1.00 0.00 C +ATOM 85 CA PRO A 85 196.795 241.649 246.069 1.00 0.00 C +ATOM 86 CA SER A 86 198.685 244.944 246.351 1.00 0.00 C +ATOM 87 CA ASP A 87 202.286 244.953 245.105 1.00 0.00 C +ATOM 88 CA ARG A 88 204.597 242.788 247.224 1.00 0.00 C +ATOM 89 CA PRO A 89 207.548 240.401 247.561 1.00 0.00 C +ATOM 90 CA PRO A 90 211.192 240.872 248.569 1.00 0.00 C +ATOM 91 CA ALA A 91 213.984 241.398 251.107 1.00 0.00 C +ATOM 92 CA ARG A 92 215.959 244.527 252.015 1.00 0.00 C +ATOM 93 CA PRO A 93 213.969 247.703 252.698 1.00 0.00 C +ATOM 94 CA PRO A 94 213.626 248.407 256.426 1.00 0.00 C +ATOM 95 CA ALA A 95 216.200 246.114 258.047 1.00 0.00 C +ATOM 96 CA GLN A 96 219.138 243.804 257.303 1.00 0.00 C +ATOM 97 CA ASP A 97 222.448 242.052 257.998 1.00 0.00 C +ATOM 98 CA ALA A 98 226.096 242.364 256.942 1.00 0.00 C +ATOM 99 CA LEU A 99 226.303 245.715 255.143 1.00 0.00 C +ATOM 100 CA ALA A 100 226.445 247.083 251.590 1.00 0.00 C +ATOM 101 CA CYS A 101 226.464 250.789 250.703 1.00 0.00 C +ATOM 102 CA GLN A 102 226.402 253.899 248.503 1.00 0.00 C +ATOM 103 CA GLY A 103 228.738 256.883 248.108 1.00 0.00 C +ATOM 104 CA SER A 104 229.781 260.387 247.037 1.00 0.00 C +ATOM 105 CA ALA A 105 233.110 261.015 245.293 1.00 0.00 C +ATOM 106 CA HIS A 106 235.317 257.935 245.688 1.00 0.00 C +ATOM 107 CA THR A 107 238.882 259.052 246.438 1.00 0.00 C +ATOM 108 CA SER A 108 239.580 257.756 249.952 1.00 0.00 C +ATOM 109 CA HIS A 109 237.173 255.977 252.311 1.00 0.00 C +ATOM 110 CA LYS A 110 238.783 252.786 253.629 1.00 0.00 C +ATOM 111 CA ARG A 111 240.947 249.666 253.948 1.00 0.00 C +ATOM 112 CA ARG A 112 239.495 246.145 253.825 1.00 0.00 C +ATOM 113 CA ARG A 113 238.779 243.366 251.318 1.00 0.00 C +ATOM 114 CA GLY A 114 241.520 243.137 248.681 1.00 0.00 C +ATOM 115 CA GLY A 115 244.641 245.166 249.492 1.00 0.00 C +ATOM 116 CA THR A 116 248.236 244.015 248.974 1.00 0.00 C +ATOM 117 CA ALA A 117 249.594 240.961 250.803 1.00 0.00 C +ATOM 118 CA GLY A 118 252.932 241.918 252.370 1.00 0.00 C +ATOM 119 CA SER A 119 255.631 239.767 250.755 1.00 0.00 C +ATOM 120 CA ARG A 120 259.055 240.221 249.147 1.00 0.00 C +ATOM 121 CA ARG A 121 260.638 239.631 245.732 1.00 0.00 C +ATOM 122 CA PRO A 122 261.122 240.421 242.037 1.00 0.00 C +ATOM 123 CA LEU A 123 263.909 242.264 240.205 1.00 0.00 C +ATOM 124 CA PRO A 124 267.559 243.324 240.467 1.00 0.00 C +ATOM 125 CA PRO A 125 268.858 246.801 241.328 1.00 0.00 C +ATOM 126 CA GLY A 126 270.331 246.498 244.829 1.00 0.00 C +ATOM 127 CA THR A 127 272.574 248.178 247.411 1.00 0.00 C +ATOM 128 CA LEU A 128 274.284 251.581 247.311 1.00 0.00 C +ATOM 129 CA ARG A 129 276.154 254.899 247.412 1.00 0.00 C +ATOM 130 CA THR A 130 277.614 257.991 249.092 1.00 0.00 C +ATOM 131 CA SER A 131 276.269 259.403 252.365 1.00 0.00 C +ATOM 132 CA HIS A 132 272.595 260.400 252.521 1.00 0.00 C +ATOM 133 CA ARG A 133 269.281 261.530 251.019 1.00 0.00 C +ATOM 134 CA SER A 134 268.328 265.129 250.210 1.00 0.00 C +ATOM 135 CA SER A 135 267.946 268.077 247.826 1.00 0.00 C +ATOM 136 CA THR A 136 267.010 271.766 248.001 1.00 0.00 C +ATOM 137 CA ALA A 137 266.365 273.092 251.514 1.00 0.00 C +ATOM 138 CA PRO A 138 265.431 276.723 252.191 1.00 0.00 C +ATOM 139 CA SER A 139 267.456 279.873 251.487 1.00 0.00 C +ATOM 140 CA PRO A 140 266.169 283.163 252.913 1.00 0.00 C +ATOM 141 CA ARG A 141 263.147 285.480 253.052 1.00 0.00 C +ATOM 142 CA ARG A 142 260.144 286.889 251.177 1.00 0.00 C +ATOM 143 CA ARG A 143 258.203 286.327 247.947 1.00 0.00 C +ATOM 144 CA ARG A 144 257.156 289.501 246.118 1.00 0.00 C +ATOM 145 CA ARG A 145 260.294 291.485 245.264 1.00 0.00 C +ATOM 146 CA PRO A 146 261.252 293.804 242.397 1.00 0.00 C +ATOM 147 CA ARG A 147 259.122 296.481 240.718 1.00 0.00 C +ATOM 148 CA ARG A 148 258.242 298.094 237.380 1.00 0.00 C +ATOM 149 CA ARG A 149 260.403 301.088 236.443 1.00 0.00 C +ATOM 150 CA ARG A 150 262.325 302.691 233.571 1.00 0.00 C +ATOM 151 CA ILE A 151 263.918 302.049 230.170 1.00 0.00 C +ATOM 152 CA VAL A 152 261.402 302.159 227.310 1.00 0.00 C +ATOM 153 CA GLY A 153 260.388 299.710 224.574 1.00 0.00 C +ATOM 154 CA ALA A 154 261.117 296.210 225.891 1.00 0.00 C +ATOM 155 CA SER A 155 263.328 293.995 228.063 1.00 0.00 C +ATOM 156 CA PRO A 156 266.525 293.799 230.127 1.00 0.00 C +ATOM 157 CA GLY A 157 269.167 292.653 227.634 1.00 0.00 C +ATOM 158 CA SER A 158 272.879 292.217 228.375 1.00 0.00 C +ATOM 159 CA ALA A 159 274.741 295.525 228.701 1.00 0.00 C +ATOM 160 CA SER A 160 278.528 295.129 228.824 1.00 0.00 C +ATOM 161 CA VAL A 161 280.973 292.425 229.935 1.00 0.00 C +ATOM 162 CA LEU A 162 284.315 291.005 231.085 1.00 0.00 C +ATOM 163 CA PRO A 163 285.843 288.650 233.661 1.00 0.00 C +ATOM 164 CA ALA A 164 285.582 286.818 236.991 1.00 0.00 C +ATOM 165 CA ALA A 165 283.730 288.605 239.800 1.00 0.00 C +ATOM 166 CA GLY A 166 280.015 288.064 239.147 1.00 0.00 C +ATOM 167 CA GLY A 167 276.645 286.310 238.856 1.00 0.00 C +ATOM 168 CA SER A 168 273.542 288.111 240.139 1.00 0.00 C +ATOM 169 CA ARG A 169 274.047 291.861 239.697 1.00 0.00 C +ATOM 170 CA PRO A 170 275.617 295.020 241.136 1.00 0.00 C +ATOM 171 CA ARG A 171 277.507 298.249 240.416 1.00 0.00 C +ATOM 172 CA PHE A 172 278.097 301.138 238.003 1.00 0.00 C +ATOM 173 CA THR A 173 278.987 299.644 234.614 1.00 0.00 C +ATOM 174 CA SER A 174 281.953 299.466 232.229 1.00 0.00 C +ATOM 175 CA ALA A 175 284.408 302.192 233.260 1.00 0.00 C +ATOM 176 CA ARG A 176 287.246 304.714 232.938 1.00 0.00 C +ATOM 177 CA SER A 177 291.023 304.516 232.479 1.00 0.00 C +TER 178 SER A 177 +END diff --git a/Mammals/Q3U9G3/Q3U9G3.dcd b/Mammals/Q3U9G3/Q3U9G3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c861b6bebc8c97f036f5c8e2fbfd2c1cf7ace189 --- /dev/null +++ b/Mammals/Q3U9G3/Q3U9G3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7b224cfa421c6302415f0bec50dffce00c4aa75e44573b84cc766cf19fa8c8e7 +size 9800276 diff --git a/Mammals/Q3U9G3/top.pdb b/Mammals/Q3U9G3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..dbce9da36e808afa50d95b1c336540d1a2ebe689 --- /dev/null +++ b/Mammals/Q3U9G3/top.pdb @@ -0,0 +1,79 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ASN A 1 270.165 246.714 267.990 1.00 0.00 C +ATOM 2 CA GLN A 2 273.446 245.159 266.835 1.00 0.00 C +ATOM 3 CA ASN A 3 277.250 245.282 266.648 1.00 0.00 C +ATOM 4 CA PHE A 4 278.503 248.109 264.422 1.00 0.00 C +ATOM 5 CA ASP A 5 278.921 251.465 262.666 1.00 0.00 C +ATOM 6 CA GLU A 6 281.720 253.910 263.504 1.00 0.00 C +ATOM 7 CA ILE A 7 280.473 256.794 265.658 1.00 0.00 C +ATOM 8 CA GLU A 8 280.437 260.191 267.382 1.00 0.00 C +ATOM 9 CA GLY A 9 279.897 260.975 271.071 1.00 0.00 C +ATOM 10 CA VAL A 10 278.008 258.696 273.470 1.00 0.00 C +ATOM 11 CA ARG A 11 274.594 260.183 274.275 1.00 0.00 C +ATOM 12 CA GLU A 12 272.174 261.889 276.673 1.00 0.00 C +ATOM 13 CA THR A 13 269.551 261.776 279.434 1.00 0.00 C +ATOM 14 CA SER A 14 270.006 258.625 281.529 1.00 0.00 C +ATOM 15 CA GLN A 15 269.140 254.918 281.673 1.00 0.00 C +ATOM 16 CA VAL A 16 267.557 251.805 283.195 1.00 0.00 C +ATOM 17 CA ILE A 17 264.348 251.227 281.224 1.00 0.00 C +ATOM 18 CA LEU A 18 261.303 252.064 283.354 1.00 0.00 C +ATOM 19 CA ARG A 19 257.596 251.275 283.749 1.00 0.00 C +ATOM 20 CA PRO A 20 253.891 251.090 284.618 1.00 0.00 C +ATOM 21 CA GLY A 21 251.579 253.317 282.565 1.00 0.00 C +ATOM 22 CA PRO A 22 248.018 253.798 283.832 1.00 0.00 C +ATOM 23 CA SER A 23 247.769 252.961 287.541 1.00 0.00 C +ATOM 24 CA PRO A 24 244.970 255.114 288.971 1.00 0.00 C +ATOM 25 CA ASN A 25 241.579 256.851 288.975 1.00 0.00 C +ATOM 26 CA PRO A 26 239.254 256.974 285.959 1.00 0.00 C +ATOM 27 CA THR A 27 236.009 258.967 286.073 1.00 0.00 C +ATOM 28 CA ALA A 28 233.942 261.535 284.164 1.00 0.00 C +ATOM 29 CA VAL A 29 232.391 262.704 280.886 1.00 0.00 C +ATOM 30 CA GLN A 30 231.165 259.700 278.888 1.00 0.00 C +ATOM 31 CA ASN A 31 229.479 256.302 279.240 1.00 0.00 C +ATOM 32 CA GLU A 32 228.063 253.740 276.802 1.00 0.00 C +ATOM 33 CA ASN A 33 227.421 250.447 274.995 1.00 0.00 C +ATOM 34 CA LEU A 34 229.622 249.771 271.960 1.00 0.00 C +ATOM 35 CA LYS A 35 228.128 250.817 268.615 1.00 0.00 C +ATOM 36 CA SER A 36 227.122 251.525 265.009 1.00 0.00 C +ATOM 37 CA MET A 37 228.287 249.226 262.204 1.00 0.00 C +ATOM 38 CA ALA A 38 230.888 247.579 259.959 1.00 0.00 C +ATOM 39 CA HIS A 39 233.226 248.063 256.990 1.00 0.00 C +ATOM 40 CA LYS A 40 233.410 245.869 253.880 1.00 0.00 C +ATOM 41 CA ARG A 41 234.797 244.348 250.674 1.00 0.00 C +ATOM 42 CA SER A 42 235.973 242.949 247.331 1.00 0.00 C +ATOM 43 CA GLN A 43 237.015 241.910 243.817 1.00 0.00 C +ATOM 44 CA ARG A 44 234.552 240.623 241.210 1.00 0.00 C +ATOM 45 CA SER A 45 235.912 241.145 237.690 1.00 0.00 C +ATOM 46 CA SER A 46 238.719 243.714 237.870 1.00 0.00 C +ATOM 47 CA TYR A 47 238.123 247.173 236.388 1.00 0.00 C +ATOM 48 CA THR A 48 239.767 250.030 234.477 1.00 0.00 C +ATOM 49 CA ARG A 49 239.046 250.602 230.780 1.00 0.00 C +ATOM 50 CA LEU A 50 239.548 253.471 228.323 1.00 0.00 C +ATOM 51 CA SER A 51 242.980 255.127 228.298 1.00 0.00 C +ATOM 52 CA LYS A 52 245.376 254.537 225.395 1.00 0.00 C +ATOM 53 CA ASP A 53 248.069 251.856 225.666 1.00 0.00 C +ATOM 54 CA ALA A 54 249.874 248.693 224.546 1.00 0.00 C +ATOM 55 CA SER A 55 249.496 246.759 221.285 1.00 0.00 C +ATOM 56 CA GLU A 56 252.011 246.629 218.426 1.00 0.00 C +ATOM 57 CA LEU A 57 252.559 245.571 214.807 1.00 0.00 C +ATOM 58 CA HIS A 58 255.067 244.220 212.277 1.00 0.00 C +ATOM 59 CA ALA A 59 254.884 246.563 209.278 1.00 0.00 C +ATOM 60 CA ALA A 60 257.930 248.843 209.089 1.00 0.00 C +ATOM 61 CA SER A 61 259.839 250.266 206.114 1.00 0.00 C +ATOM 62 CA SER A 62 260.806 247.371 203.834 1.00 0.00 C +ATOM 63 CA ASP A 63 258.679 244.287 203.138 1.00 0.00 C +ATOM 64 CA SER A 64 255.166 245.601 202.467 1.00 0.00 C +ATOM 65 CA THR A 65 251.479 246.433 201.985 1.00 0.00 C +ATOM 66 CA GLY A 66 247.867 246.296 203.188 1.00 0.00 C +ATOM 67 CA PHE A 67 247.187 244.595 206.529 1.00 0.00 C +ATOM 68 CA GLY A 68 245.433 241.960 208.649 1.00 0.00 C +ATOM 69 CA GLU A 69 243.400 241.409 211.824 1.00 0.00 C +ATOM 70 CA GLU A 70 244.022 238.885 214.610 1.00 0.00 C +ATOM 71 CA ARG A 71 243.903 240.776 217.915 1.00 0.00 C +ATOM 72 CA GLU A 72 245.783 241.212 221.200 1.00 0.00 C +ATOM 73 CA SER A 73 244.004 241.587 224.548 1.00 0.00 C +ATOM 74 CA ILE A 74 241.476 238.869 225.407 1.00 0.00 C +ATOM 75 CA LEU A 75 237.951 238.283 224.086 1.00 0.00 C +TER 76 LEU A 75 +END diff --git a/Mammals/Q3UAM6/Q3UAM6.dcd b/Mammals/Q3UAM6/Q3UAM6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b54dabb6a752851e521b7693483ff64caeb7f500 --- /dev/null +++ b/Mammals/Q3UAM6/Q3UAM6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:582d79751ada4ff1ed40febd70bea1b705b4f998520d3cfea90ce5dcf2f7f1f9 +size 22400276 diff --git a/Mammals/Q3UAM6/top.pdb b/Mammals/Q3UAM6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..49a65dd8d6c2c6d8a4c1b4ea26561ffecbe423af --- /dev/null +++ b/Mammals/Q3UAM6/top.pdb @@ -0,0 +1,184 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 274.662 286.264 218.576 1.00 0.00 C +ATOM 2 CA PRO A 2 275.306 284.397 221.835 1.00 0.00 C +ATOM 3 CA PRO A 3 274.321 281.144 223.555 1.00 0.00 C +ATOM 4 CA THR A 4 275.428 277.683 222.408 1.00 0.00 C +ATOM 5 CA PHE A 5 274.520 274.358 224.031 1.00 0.00 C +ATOM 6 CA LYS A 6 275.740 270.926 225.149 1.00 0.00 C +ATOM 7 CA ASP A 7 274.808 268.139 227.574 1.00 0.00 C +ATOM 8 CA THR A 8 277.071 265.089 227.884 1.00 0.00 C +ATOM 9 CA GLY A 9 278.365 262.425 225.488 1.00 0.00 C +ATOM 10 CA ALA A 10 276.074 261.053 222.770 1.00 0.00 C +ATOM 11 CA ALA A 11 274.516 258.568 220.338 1.00 0.00 C +ATOM 12 CA VAL A 12 274.853 254.782 220.594 1.00 0.00 C +ATOM 13 CA TRP A 13 277.421 253.685 218.002 1.00 0.00 C +ATOM 14 CA GLU A 14 279.759 255.905 215.971 1.00 0.00 C +ATOM 15 CA ASP A 15 283.154 257.388 215.082 1.00 0.00 C +ATOM 16 CA GLY A 16 285.049 259.000 217.968 1.00 0.00 C +ATOM 17 CA GLU A 17 283.159 260.415 220.958 1.00 0.00 C +ATOM 18 CA LEU A 18 281.680 257.417 222.785 1.00 0.00 C +ATOM 19 CA GLU A 19 279.232 255.243 224.735 1.00 0.00 C +ATOM 20 CA GLU A 20 280.487 253.656 227.963 1.00 0.00 C +ATOM 21 CA GLY A 21 280.651 250.132 229.400 1.00 0.00 C +ATOM 22 CA GLU A 22 281.306 248.870 232.935 1.00 0.00 C +ATOM 23 CA LEU A 23 281.657 245.097 233.335 1.00 0.00 C +ATOM 24 CA GLU A 24 284.365 242.469 233.860 1.00 0.00 C +ATOM 25 CA ASP A 25 287.463 244.500 234.752 1.00 0.00 C +ATOM 26 CA ASP A 26 290.335 245.490 237.050 1.00 0.00 C +ATOM 27 CA GLY A 27 290.582 246.681 240.661 1.00 0.00 C +ATOM 28 CA ALA A 28 290.285 249.031 243.645 1.00 0.00 C +ATOM 29 CA GLU A 29 286.699 250.214 244.156 1.00 0.00 C +ATOM 30 CA GLU A 30 284.222 251.740 246.615 1.00 0.00 C +ATOM 31 CA VAL A 31 285.274 254.058 249.451 1.00 0.00 C +ATOM 32 CA GLN A 32 286.001 254.567 253.156 1.00 0.00 C +ATOM 33 CA ASP A 33 283.741 254.823 256.212 1.00 0.00 C +ATOM 34 CA PRO A 34 282.818 251.998 258.596 1.00 0.00 C +ATOM 35 CA PRO A 35 279.552 252.630 260.454 1.00 0.00 C +ATOM 36 CA GLY A 36 277.268 250.526 262.662 1.00 0.00 C +ATOM 37 CA GLY A 37 276.972 251.618 266.300 1.00 0.00 C +ATOM 38 CA GLN A 38 274.941 252.715 269.331 1.00 0.00 C +ATOM 39 CA GLU A 39 271.246 252.262 270.142 1.00 0.00 C +ATOM 40 CA ARG A 40 267.615 252.433 271.283 1.00 0.00 C +ATOM 41 CA SER A 41 265.874 254.683 268.748 1.00 0.00 C +ATOM 42 CA ARG A 42 265.888 253.375 265.170 1.00 0.00 C +ATOM 43 CA LYS A 43 264.137 251.635 262.268 1.00 0.00 C +ATOM 44 CA GLU A 44 261.420 251.684 259.597 1.00 0.00 C +ATOM 45 CA LYS A 45 257.916 252.607 258.421 1.00 0.00 C +ATOM 46 CA GLY A 46 255.672 253.648 255.523 1.00 0.00 C +ATOM 47 CA GLU A 47 253.520 251.269 253.468 1.00 0.00 C +ATOM 48 CA LYS A 48 253.671 248.531 250.823 1.00 0.00 C +ATOM 49 CA HIS A 49 256.304 249.755 248.356 1.00 0.00 C +ATOM 50 CA HIS A 50 257.182 249.847 244.650 1.00 0.00 C +ATOM 51 CA SER A 51 259.883 247.454 243.429 1.00 0.00 C +ATOM 52 CA ASP A 52 260.460 244.526 245.798 1.00 0.00 C +ATOM 53 CA SER A 53 259.345 240.936 246.417 1.00 0.00 C +ATOM 54 CA GLU A 54 256.138 240.257 248.359 1.00 0.00 C +ATOM 55 CA GLU A 55 253.688 237.754 249.858 1.00 0.00 C +ATOM 56 CA GLU A 56 252.241 234.896 251.920 1.00 0.00 C +ATOM 57 CA LYS A 57 248.811 234.531 253.538 1.00 0.00 C +ATOM 58 CA SER A 58 245.136 235.198 254.287 1.00 0.00 C +ATOM 59 CA HIS A 59 242.521 237.947 254.640 1.00 0.00 C +ATOM 60 CA ARG A 60 240.159 240.926 254.884 1.00 0.00 C +ATOM 61 CA ARG A 61 239.919 244.343 253.215 1.00 0.00 C +ATOM 62 CA LEU A 62 240.352 247.331 255.539 1.00 0.00 C +ATOM 63 CA LYS A 63 242.467 250.427 256.214 1.00 0.00 C +ATOM 64 CA ARG A 64 241.363 251.901 259.549 1.00 0.00 C +ATOM 65 CA LYS A 65 238.767 253.680 261.697 1.00 0.00 C +ATOM 66 CA ARG A 66 235.492 253.197 263.584 1.00 0.00 C +ATOM 67 CA LYS A 67 232.398 255.397 263.900 1.00 0.00 C +ATOM 68 CA LYS A 68 231.633 258.557 261.913 1.00 0.00 C +ATOM 69 CA GLU A 69 234.903 260.024 260.622 1.00 0.00 C +ATOM 70 CA ARG A 70 237.611 260.478 257.981 1.00 0.00 C +ATOM 71 CA GLU A 71 237.685 261.650 254.356 1.00 0.00 C +ATOM 72 CA LYS A 72 237.230 261.957 250.586 1.00 0.00 C +ATOM 73 CA GLU A 73 237.217 258.790 248.467 1.00 0.00 C +ATOM 74 CA ARG A 74 239.906 256.092 248.386 1.00 0.00 C +ATOM 75 CA ARG A 75 242.992 257.661 246.796 1.00 0.00 C +ATOM 76 CA ARG A 76 245.903 255.915 248.527 1.00 0.00 C +ATOM 77 CA SER A 77 249.539 255.905 247.391 1.00 0.00 C +ATOM 78 CA LYS A 78 250.482 253.406 244.674 1.00 0.00 C +ATOM 79 CA LYS A 79 249.711 253.200 240.949 1.00 0.00 C +ATOM 80 CA ARG A 80 247.267 253.795 238.087 1.00 0.00 C +ATOM 81 CA ARG A 81 249.446 254.892 235.161 1.00 0.00 C +ATOM 82 CA LYS A 82 252.591 257.038 235.294 1.00 0.00 C +ATOM 83 CA SER A 83 256.225 257.517 234.253 1.00 0.00 C +ATOM 84 CA LYS A 84 258.498 256.909 237.250 1.00 0.00 C +ATOM 85 CA HIS A 85 259.722 255.194 240.424 1.00 0.00 C +ATOM 86 CA LYS A 86 262.427 256.408 242.817 1.00 0.00 C +ATOM 87 CA ARG A 87 261.620 258.861 245.619 1.00 0.00 C +ATOM 88 CA HIS A 88 260.211 256.874 248.548 1.00 0.00 C +ATOM 89 CA ALA A 89 256.567 255.990 249.224 1.00 0.00 C +ATOM 90 CA SER A 90 254.694 258.959 250.704 1.00 0.00 C +ATOM 91 CA SER A 91 251.932 261.506 251.336 1.00 0.00 C +ATOM 92 CA SER A 92 251.285 264.732 249.414 1.00 0.00 C +ATOM 93 CA ASP A 93 252.213 268.386 249.964 1.00 0.00 C +ATOM 94 CA ASP A 94 252.411 271.484 247.755 1.00 0.00 C +ATOM 95 CA PHE A 95 254.652 274.308 246.522 1.00 0.00 C +ATOM 96 CA SER A 96 258.179 275.691 246.919 1.00 0.00 C +ATOM 97 CA ASP A 97 259.552 276.235 250.431 1.00 0.00 C +ATOM 98 CA PHE A 98 260.580 279.771 251.412 1.00 0.00 C +ATOM 99 CA SER A 99 261.378 282.479 248.854 1.00 0.00 C +ATOM 100 CA ASP A 100 258.576 282.767 246.288 1.00 0.00 C +ATOM 101 CA ASP A 101 255.697 284.637 244.634 1.00 0.00 C +ATOM 102 CA SER A 102 252.503 286.028 243.093 1.00 0.00 C +ATOM 103 CA ASP A 103 248.890 286.375 244.251 1.00 0.00 C +ATOM 104 CA PHE A 104 247.084 283.270 245.521 1.00 0.00 C +ATOM 105 CA SER A 105 244.736 281.111 243.437 1.00 0.00 C +ATOM 106 CA PRO A 106 246.440 277.821 242.551 1.00 0.00 C +ATOM 107 CA SER A 107 246.341 274.085 241.807 1.00 0.00 C +ATOM 108 CA GLU A 108 243.394 271.734 241.255 1.00 0.00 C +ATOM 109 CA LYS A 109 239.584 271.770 241.265 1.00 0.00 C +ATOM 110 CA SER A 110 236.706 269.279 241.106 1.00 0.00 C +ATOM 111 CA HIS A 111 232.931 269.633 241.479 1.00 0.00 C +ATOM 112 CA ARG A 112 230.455 266.738 241.545 1.00 0.00 C +ATOM 113 CA LYS A 113 229.653 264.046 244.119 1.00 0.00 C +ATOM 114 CA TYR A 114 232.396 261.411 243.896 1.00 0.00 C +ATOM 115 CA ARG A 115 231.809 257.763 242.966 1.00 0.00 C +ATOM 116 CA ASP A 116 233.207 254.330 243.847 1.00 0.00 C +ATOM 117 CA TYR A 117 235.006 251.037 243.189 1.00 0.00 C +ATOM 118 CA SER A 118 233.577 249.131 240.216 1.00 0.00 C +ATOM 119 CA PRO A 119 233.264 245.914 238.199 1.00 0.00 C +ATOM 120 CA PRO A 120 231.946 242.376 237.684 1.00 0.00 C +ATOM 121 CA TYR A 121 228.469 241.757 236.254 1.00 0.00 C +ATOM 122 CA ALA A 122 226.306 244.494 237.785 1.00 0.00 C +ATOM 123 CA PRO A 123 227.861 245.921 240.957 1.00 0.00 C +ATOM 124 CA SER A 124 229.678 243.906 243.632 1.00 0.00 C +ATOM 125 CA HIS A 125 228.812 242.200 246.927 1.00 0.00 C +ATOM 126 CA GLN A 126 230.883 239.173 247.959 1.00 0.00 C +ATOM 127 CA GLN A 127 232.150 235.598 248.316 1.00 0.00 C +ATOM 128 CA TYR A 128 235.288 233.851 249.590 1.00 0.00 C +ATOM 129 CA SER A 129 238.819 232.453 249.283 1.00 0.00 C +ATOM 130 CA SER A 130 241.446 229.694 249.223 1.00 0.00 C +ATOM 131 CA SER A 131 244.768 228.087 250.170 1.00 0.00 C +ATOM 132 CA HIS A 132 248.302 227.310 251.365 1.00 0.00 C +ATOM 133 CA ASN A 133 250.951 225.385 249.417 1.00 0.00 C +ATOM 134 CA ALA A 134 249.907 222.437 247.241 1.00 0.00 C +ATOM 135 CA PRO A 135 250.134 218.720 248.047 1.00 0.00 C +ATOM 136 CA LEU A 136 248.985 215.576 246.227 1.00 0.00 C +ATOM 137 CA PRO A 137 245.182 215.424 246.395 1.00 0.00 C +ATOM 138 CA LYS A 138 243.557 213.787 243.363 1.00 0.00 C +ATOM 139 CA LYS A 139 242.259 210.255 243.959 1.00 0.00 C +ATOM 140 CA SER A 140 239.454 208.569 245.910 1.00 0.00 C +ATOM 141 CA TYR A 141 239.005 207.740 249.602 1.00 0.00 C +ATOM 142 CA SER A 142 237.407 204.538 250.908 1.00 0.00 C +ATOM 143 CA LYS A 143 236.365 201.745 253.281 1.00 0.00 C +ATOM 144 CA MET A 144 235.600 203.444 256.605 1.00 0.00 C +ATOM 145 CA ASP A 145 236.854 206.198 258.920 1.00 0.00 C +ATOM 146 CA SER A 146 240.526 206.793 259.746 1.00 0.00 C +ATOM 147 CA LYS A 147 241.244 209.996 261.680 1.00 0.00 C +ATOM 148 CA GLY A 148 239.552 212.000 264.443 1.00 0.00 C +ATOM 149 CA TYR A 149 235.810 212.697 264.600 1.00 0.00 C +ATOM 150 CA SER A 150 233.027 214.678 266.287 1.00 0.00 C +ATOM 151 CA MET A 151 233.197 218.184 264.805 1.00 0.00 C +ATOM 152 CA TYR A 152 234.903 221.092 263.029 1.00 0.00 C +ATOM 153 CA GLU A 153 237.193 223.867 264.281 1.00 0.00 C +ATOM 154 CA ASP A 154 236.698 227.618 264.734 1.00 0.00 C +ATOM 155 CA TYR A 155 236.686 228.878 268.329 1.00 0.00 C +ATOM 156 CA GLU A 156 238.245 231.707 270.350 1.00 0.00 C +ATOM 157 CA ASN A 157 240.370 234.562 271.711 1.00 0.00 C +ATOM 158 CA GLU A 158 238.675 237.958 271.379 1.00 0.00 C +ATOM 159 CA GLN A 159 237.529 239.648 274.596 1.00 0.00 C +ATOM 160 CA TYR A 160 236.189 237.778 277.633 1.00 0.00 C +ATOM 161 CA GLY A 161 232.739 236.960 279.026 1.00 0.00 C +ATOM 162 CA GLU A 162 229.707 236.895 276.720 1.00 0.00 C +ATOM 163 CA TYR A 163 228.018 240.034 275.374 1.00 0.00 C +ATOM 164 CA GLU A 164 227.414 242.521 272.552 1.00 0.00 C +ATOM 165 CA GLY A 165 225.041 241.413 269.785 1.00 0.00 C +ATOM 166 CA ASP A 166 221.260 241.883 269.781 1.00 0.00 C +ATOM 167 CA GLU A 167 219.976 244.983 267.975 1.00 0.00 C +ATOM 168 CA GLU A 168 220.376 248.771 268.040 1.00 0.00 C +ATOM 169 CA GLU A 169 221.155 249.652 271.664 1.00 0.00 C +ATOM 170 CA ASP A 170 224.618 250.064 273.199 1.00 0.00 C +ATOM 171 CA MET A 171 226.499 253.372 273.395 1.00 0.00 C +ATOM 172 CA GLY A 172 225.133 256.715 274.608 1.00 0.00 C +ATOM 173 CA LYS A 173 223.587 259.874 273.141 1.00 0.00 C +ATOM 174 CA GLU A 174 220.107 261.423 273.094 1.00 0.00 C +ATOM 175 CA ASP A 175 216.606 261.543 274.591 1.00 0.00 C +ATOM 176 CA TYR A 176 215.425 263.478 277.653 1.00 0.00 C +ATOM 177 CA ASP A 177 213.819 266.932 277.622 1.00 0.00 C +ATOM 178 CA ASP A 178 212.045 270.181 276.719 1.00 0.00 C +ATOM 179 CA PHE A 179 213.496 273.625 277.462 1.00 0.00 C +ATOM 180 CA THR A 180 214.912 274.913 274.168 1.00 0.00 C +TER 181 THR A 180 +END diff --git a/Mammals/Q3UF44/Q3UF44.dcd b/Mammals/Q3UF44/Q3UF44.dcd new file mode 100644 index 0000000000000000000000000000000000000000..54842f6cabf3fa6b0aaba02bc98173b10bc57096 --- /dev/null +++ b/Mammals/Q3UF44/Q3UF44.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8eb8c4d30ce544f2578b7788bed592248713b98856d4dbd451a858f7a5ff3ecc +size 10520276 diff --git a/Mammals/Q3UF44/top.pdb b/Mammals/Q3UF44/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..083f0bcff5b01229be53063ad632683878831f7b --- /dev/null +++ b/Mammals/Q3UF44/top.pdb @@ -0,0 +1,85 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA PHE A 1 211.184 239.942 273.850 1.00 0.00 C +ATOM 2 CA SER A 2 213.398 242.830 272.721 1.00 0.00 C +ATOM 3 CA LEU A 3 211.981 244.656 269.693 1.00 0.00 C +ATOM 4 CA GLU A 4 209.274 245.976 267.359 1.00 0.00 C +ATOM 5 CA GLU A 5 207.008 248.382 265.463 1.00 0.00 C +ATOM 6 CA GLU A 6 205.708 247.132 262.107 1.00 0.00 C +ATOM 7 CA GLU A 7 207.724 245.789 259.166 1.00 0.00 C +ATOM 8 CA GLU A 8 209.242 242.295 259.106 1.00 0.00 C +ATOM 9 CA GLU A 9 212.482 240.431 258.370 1.00 0.00 C +ATOM 10 CA GLU A 10 215.996 241.595 257.467 1.00 0.00 C +ATOM 11 CA GLU A 11 218.256 244.629 257.915 1.00 0.00 C +ATOM 12 CA GLU A 12 221.299 245.637 259.975 1.00 0.00 C +ATOM 13 CA GLU A 13 221.062 247.501 263.290 1.00 0.00 C +ATOM 14 CA GLU A 14 222.427 251.040 263.645 1.00 0.00 C +ATOM 15 CA GLU A 15 222.603 254.828 264.021 1.00 0.00 C +ATOM 16 CA GLU A 16 225.150 257.556 263.256 1.00 0.00 C +ATOM 17 CA GLU A 17 227.850 256.683 260.714 1.00 0.00 C +ATOM 18 CA GLU A 18 228.261 258.657 257.482 1.00 0.00 C +ATOM 19 CA GLU A 19 225.268 260.906 256.772 1.00 0.00 C +ATOM 20 CA GLU A 20 225.270 264.676 256.226 1.00 0.00 C +ATOM 21 CA GLU A 21 228.127 266.959 255.154 1.00 0.00 C +ATOM 22 CA GLU A 22 231.176 267.996 253.119 1.00 0.00 C +ATOM 23 CA GLU A 23 234.062 270.019 254.566 1.00 0.00 C +ATOM 24 CA GLU A 24 237.859 270.326 254.596 1.00 0.00 C +ATOM 25 CA GLU A 25 240.632 271.139 252.113 1.00 0.00 C +ATOM 26 CA GLU A 26 242.179 267.902 250.828 1.00 0.00 C +ATOM 27 CA GLU A 27 245.348 266.989 248.921 1.00 0.00 C +ATOM 28 CA GLU A 28 245.076 266.624 245.138 1.00 0.00 C +ATOM 29 CA GLY A 29 247.351 265.775 242.202 1.00 0.00 C +ATOM 30 CA ARG A 30 250.025 263.075 241.933 1.00 0.00 C +ATOM 31 CA LYS A 31 252.535 260.267 241.356 1.00 0.00 C +ATOM 32 CA GLU A 32 250.623 257.433 239.674 1.00 0.00 C +ATOM 33 CA GLY A 33 247.907 255.433 241.445 1.00 0.00 C +ATOM 34 CA GLU A 34 247.239 251.917 240.138 1.00 0.00 C +ATOM 35 CA ARG A 35 248.426 249.181 242.508 1.00 0.00 C +ATOM 36 CA GLY A 36 246.545 246.259 244.069 1.00 0.00 C +ATOM 37 CA GLU A 37 247.426 243.003 245.840 1.00 0.00 C +ATOM 38 CA GLY A 38 249.889 243.291 248.732 1.00 0.00 C +ATOM 39 CA GLY A 39 253.169 245.081 249.479 1.00 0.00 C +ATOM 40 CA GLY A 40 256.510 245.169 247.650 1.00 0.00 C +ATOM 41 CA GLU A 41 259.343 246.966 245.845 1.00 0.00 C +ATOM 42 CA GLU A 42 262.927 247.712 244.788 1.00 0.00 C +ATOM 43 CA GLU A 43 266.593 247.156 245.665 1.00 0.00 C +ATOM 44 CA GLU A 44 267.873 249.643 248.252 1.00 0.00 C +ATOM 45 CA LYS A 45 268.136 248.709 251.936 1.00 0.00 C +ATOM 46 CA LYS A 46 268.324 245.454 253.906 1.00 0.00 C +ATOM 47 CA LYS A 47 268.692 241.839 252.760 1.00 0.00 C +ATOM 48 CA LYS A 48 271.471 240.207 254.793 1.00 0.00 C +ATOM 49 CA LYS A 49 272.979 237.119 256.437 1.00 0.00 C +ATOM 50 CA LYS A 50 274.980 234.191 255.042 1.00 0.00 C +ATOM 51 CA LYS A 51 275.598 230.941 253.152 1.00 0.00 C +ATOM 52 CA LYS A 52 277.660 230.855 249.949 1.00 0.00 C +ATOM 53 CA LYS A 53 277.725 234.074 247.911 1.00 0.00 C +ATOM 54 CA LYS A 54 275.580 236.950 249.193 1.00 0.00 C +ATOM 55 CA LYS A 55 276.259 240.655 248.621 1.00 0.00 C +ATOM 56 CA LYS A 56 275.054 244.146 247.684 1.00 0.00 C +ATOM 57 CA LYS A 57 275.740 247.397 245.818 1.00 0.00 C +ATOM 58 CA LYS A 58 278.384 249.952 244.821 1.00 0.00 C +ATOM 59 CA LYS A 59 280.377 252.256 247.110 1.00 0.00 C +ATOM 60 CA LYS A 60 280.078 255.861 248.305 1.00 0.00 C +ATOM 61 CA LYS A 61 277.273 256.537 250.793 1.00 0.00 C +ATOM 62 CA GLU A 62 274.110 255.725 252.756 1.00 0.00 C +ATOM 63 CA TRP A 63 270.826 257.439 253.646 1.00 0.00 C +ATOM 64 CA LYS A 64 269.110 259.239 250.759 1.00 0.00 C +ATOM 65 CA ARG A 65 268.841 260.493 247.172 1.00 0.00 C +ATOM 66 CA LYS A 66 265.856 259.428 245.057 1.00 0.00 C +ATOM 67 CA ARG A 67 262.541 258.176 243.658 1.00 0.00 C +ATOM 68 CA ARG A 68 261.709 260.562 240.806 1.00 0.00 C +ATOM 69 CA ARG A 69 260.095 259.863 237.426 1.00 0.00 C +ATOM 70 CA LYS A 70 257.447 257.289 236.490 1.00 0.00 C +ATOM 71 CA ARG A 71 259.062 254.220 234.910 1.00 0.00 C +ATOM 72 CA LYS A 72 258.930 250.568 235.987 1.00 0.00 C +ATOM 73 CA GLY A 73 260.151 248.655 239.047 1.00 0.00 C +ATOM 74 CA PRO A 74 261.659 245.169 238.745 1.00 0.00 C +ATOM 75 CA CYS A 75 262.541 241.870 240.434 1.00 0.00 C +ATOM 76 CA LEU A 76 264.688 239.802 242.807 1.00 0.00 C +ATOM 77 CA LEU A 77 264.212 236.074 242.183 1.00 0.00 C +ATOM 78 CA PRO A 78 262.727 234.068 239.304 1.00 0.00 C +ATOM 79 CA GLY A 79 264.256 232.291 236.301 1.00 0.00 C +ATOM 80 CA PHE A 80 263.958 232.080 232.509 1.00 0.00 C +ATOM 81 CA PRO A 81 262.688 233.392 229.164 1.00 0.00 C +TER 82 PRO A 81 +END diff --git a/Mammals/Q3UFM7/Q3UFM7.dcd b/Mammals/Q3UFM7/Q3UFM7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..cdf0af91621c951f153752e8cabf965ebdb7a55d --- /dev/null +++ b/Mammals/Q3UFM7/Q3UFM7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ed6210b69d664aff7bf249e850313831bfdd9bc9cda5c1b934060aaeef26d8d0 +size 9920276 diff --git a/Mammals/Q3UFM7/top.pdb b/Mammals/Q3UFM7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..94a83d028f30ccb63c403083babe9eb4f2394f19 --- /dev/null +++ b/Mammals/Q3UFM7/top.pdb @@ -0,0 +1,80 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLY A 1 268.225 293.538 257.220 1.00 0.00 C +ATOM 2 CA ASN A 2 270.998 295.457 255.447 1.00 0.00 C +ATOM 3 CA SER A 3 274.138 296.457 257.359 1.00 0.00 C +ATOM 4 CA ASP A 4 276.989 298.645 258.624 1.00 0.00 C +ATOM 5 CA ARG A 5 280.318 296.798 258.792 1.00 0.00 C +ATOM 6 CA VAL A 6 282.917 294.054 258.315 1.00 0.00 C +ATOM 7 CA LEU A 7 282.495 290.649 256.658 1.00 0.00 C +ATOM 8 CA LYS A 8 279.280 289.376 255.058 1.00 0.00 C +ATOM 9 CA ARG A 9 279.178 290.417 251.395 1.00 0.00 C +ATOM 10 CA SER A 10 276.350 288.852 249.376 1.00 0.00 C +ATOM 11 CA ALA A 11 273.691 286.136 249.115 1.00 0.00 C +ATOM 12 CA GLU A 12 273.392 282.341 248.967 1.00 0.00 C +ATOM 13 CA GLY A 13 272.916 280.564 245.631 1.00 0.00 C +ATOM 14 CA GLY A 14 271.924 282.085 242.282 1.00 0.00 C +ATOM 15 CA ASN A 15 268.818 280.963 240.382 1.00 0.00 C +ATOM 16 CA PRO A 16 265.109 280.290 239.825 1.00 0.00 C +ATOM 17 CA PRO A 17 262.452 277.739 238.853 1.00 0.00 C +ATOM 18 CA LYS A 18 259.017 278.692 237.507 1.00 0.00 C +ATOM 19 CA PRO A 19 256.353 281.119 238.744 1.00 0.00 C +ATOM 20 CA LEU A 20 252.619 281.856 238.566 1.00 0.00 C +ATOM 21 CA LYS A 21 250.382 282.788 241.506 1.00 0.00 C +ATOM 22 CA LYS A 22 249.615 281.197 244.882 1.00 0.00 C +ATOM 23 CA LEU A 23 252.111 280.870 247.741 1.00 0.00 C +ATOM 24 CA ARG A 24 255.658 279.684 248.467 1.00 0.00 C +ATOM 25 CA PHE A 25 257.664 276.502 247.858 1.00 0.00 C +ATOM 26 CA ASP A 26 256.765 273.015 249.101 1.00 0.00 C +ATOM 27 CA ILE A 27 256.421 271.093 252.373 1.00 0.00 C +ATOM 28 CA GLU A 28 253.236 269.007 252.211 1.00 0.00 C +ATOM 29 CA GLY A 29 254.209 265.365 251.658 1.00 0.00 C +ATOM 30 CA ALA A 30 256.396 263.437 249.205 1.00 0.00 C +ATOM 31 CA ASP A 31 258.410 260.522 247.806 1.00 0.00 C +ATOM 32 CA GLU A 32 256.623 258.008 245.569 1.00 0.00 C +ATOM 33 CA ALA A 33 256.538 255.532 242.674 1.00 0.00 C +ATOM 34 CA ASP A 34 252.919 254.387 242.343 1.00 0.00 C +ATOM 35 CA GLY A 35 251.843 251.424 240.203 1.00 0.00 C +ATOM 36 CA SER A 36 248.143 250.630 240.648 1.00 0.00 C +ATOM 37 CA LYS A 37 245.466 251.198 243.298 1.00 0.00 C +ATOM 38 CA HIS A 38 242.203 251.334 245.260 1.00 0.00 C +ATOM 39 CA LEU A 39 240.913 251.532 248.840 1.00 0.00 C +ATOM 40 CA PRO A 40 237.843 251.140 251.062 1.00 0.00 C +ATOM 41 CA ALA A 41 237.088 250.299 254.700 1.00 0.00 C +ATOM 42 CA GLU A 42 236.081 246.771 255.730 1.00 0.00 C +ATOM 43 CA SER A 43 237.917 244.015 257.614 1.00 0.00 C +ATOM 44 CA LYS A 44 237.213 241.368 260.262 1.00 0.00 C +ATOM 45 CA PHE A 45 239.873 239.659 262.389 1.00 0.00 C +ATOM 46 CA GLN A 46 239.356 236.654 264.673 1.00 0.00 C +ATOM 47 CA GLN A 47 242.282 234.428 265.673 1.00 0.00 C +ATOM 48 CA LYS A 48 243.367 234.124 269.313 1.00 0.00 C +ATOM 49 CA LEU A 49 246.434 231.943 269.905 1.00 0.00 C +ATOM 50 CA ALA A 50 247.488 228.498 268.666 1.00 0.00 C +ATOM 51 CA GLU A 51 246.949 224.913 267.495 1.00 0.00 C +ATOM 52 CA MET A 52 244.355 222.229 268.258 1.00 0.00 C +ATOM 53 CA THR A 53 240.869 220.906 267.475 1.00 0.00 C +ATOM 54 CA SER A 54 237.218 221.887 266.996 1.00 0.00 C +ATOM 55 CA THR A 55 235.956 220.503 263.678 1.00 0.00 C +ATOM 56 CA ARG A 56 236.096 222.976 260.784 1.00 0.00 C +ATOM 57 CA THR A 57 237.563 222.863 257.269 1.00 0.00 C +ATOM 58 CA ARG A 58 237.322 224.819 254.008 1.00 0.00 C +ATOM 59 CA MET A 59 234.928 225.610 251.152 1.00 0.00 C +ATOM 60 CA GLN A 60 233.349 224.494 247.869 1.00 0.00 C +ATOM 61 CA LYS A 61 233.410 220.724 247.324 1.00 0.00 C +ATOM 62 CA GLN A 62 233.584 216.921 247.482 1.00 0.00 C +ATOM 63 CA ARG A 63 231.277 214.282 248.976 1.00 0.00 C +ATOM 64 CA MET A 64 229.723 212.566 252.002 1.00 0.00 C +ATOM 65 CA ASN A 65 226.575 210.472 251.537 1.00 0.00 C +ATOM 66 CA GLU A 66 225.810 209.740 247.877 1.00 0.00 C +ATOM 67 CA SER A 67 226.620 210.334 244.202 1.00 0.00 C +ATOM 68 CA LYS A 68 230.011 209.955 242.506 1.00 0.00 C +ATOM 69 CA ASP A 69 233.211 207.942 242.976 1.00 0.00 C +ATOM 70 CA VAL A 70 235.115 205.238 241.083 1.00 0.00 C +ATOM 71 CA SER A 71 237.844 203.871 238.803 1.00 0.00 C +ATOM 72 CA ASN A 72 237.665 205.688 235.459 1.00 0.00 C +ATOM 73 CA LYS A 73 238.409 206.168 231.753 1.00 0.00 C +ATOM 74 CA GLU A 74 240.002 208.442 229.145 1.00 0.00 C +ATOM 75 CA GLU A 75 242.466 207.289 226.477 1.00 0.00 C +ATOM 76 CA LYS A 76 246.039 206.717 227.667 1.00 0.00 C +TER 77 LYS A 76 +END diff --git a/Mammals/Q3UG47/Q3UG47.dcd b/Mammals/Q3UG47/Q3UG47.dcd new file mode 100644 index 0000000000000000000000000000000000000000..cb50fed267b7ed420550f8f9662e559e37aabcfb --- /dev/null +++ b/Mammals/Q3UG47/Q3UG47.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9034d8453400dec81ceecc07cfb11bf49f98ca7aa591cede795a836ff29b94eb +size 6560276 diff --git a/Mammals/Q3UG47/top.pdb b/Mammals/Q3UG47/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..48f7fd4c8bce8277395999eab4fe594049863584 --- /dev/null +++ b/Mammals/Q3UG47/top.pdb @@ -0,0 +1,52 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLY A 1 232.549 242.815 267.960 1.00 0.00 C +ATOM 2 CA ALA A 2 233.185 246.520 267.339 1.00 0.00 C +ATOM 3 CA LEU A 3 235.895 247.977 265.091 1.00 0.00 C +ATOM 4 CA GLN A 4 238.988 246.143 263.830 1.00 0.00 C +ATOM 5 CA PRO A 5 241.954 248.259 262.715 1.00 0.00 C +ATOM 6 CA PRO A 6 245.210 249.095 264.508 1.00 0.00 C +ATOM 7 CA PRO A 7 248.067 247.145 262.909 1.00 0.00 C +ATOM 8 CA ALA A 8 250.207 245.516 265.608 1.00 0.00 C +ATOM 9 CA PRO A 9 253.860 245.090 266.603 1.00 0.00 C +ATOM 10 CA GLN A 10 255.986 243.550 263.841 1.00 0.00 C +ATOM 11 CA GLN A 11 256.339 240.906 261.121 1.00 0.00 C +ATOM 12 CA GLN A 12 259.178 241.307 258.612 1.00 0.00 C +ATOM 13 CA GLN A 13 258.051 241.801 255.006 1.00 0.00 C +ATOM 14 CA ARG A 14 255.070 239.584 254.160 1.00 0.00 C +ATOM 15 CA VAL A 15 255.463 236.671 251.736 1.00 0.00 C +ATOM 16 CA ASN A 16 258.648 236.085 249.730 1.00 0.00 C +ATOM 17 CA ARG A 17 259.167 234.403 246.351 1.00 0.00 C +ATOM 18 CA GLU A 18 256.729 235.852 243.807 1.00 0.00 C +ATOM 19 CA ARG A 19 257.826 239.321 242.677 1.00 0.00 C +ATOM 20 CA GLN A 20 255.841 242.559 242.377 1.00 0.00 C +ATOM 21 CA PRO A 21 258.409 245.370 242.528 1.00 0.00 C +ATOM 22 CA GLN A 22 260.956 247.002 240.213 1.00 0.00 C +ATOM 23 CA GLY A 23 260.544 250.016 237.918 1.00 0.00 C +ATOM 24 CA VAL A 24 263.502 250.941 235.702 1.00 0.00 C +ATOM 25 CA ARG A 25 267.071 250.378 234.493 1.00 0.00 C +ATOM 26 CA ASP A 26 270.008 251.191 236.779 1.00 0.00 C +ATOM 27 CA PRO A 27 270.107 252.037 240.493 1.00 0.00 C +ATOM 28 CA GLY A 28 269.033 255.255 242.227 1.00 0.00 C +ATOM 29 CA ALA A 29 268.283 258.536 244.012 1.00 0.00 C +ATOM 30 CA HIS A 30 264.824 260.117 244.246 1.00 0.00 C +ATOM 31 CA ARG A 31 263.355 263.559 244.957 1.00 0.00 C +ATOM 32 CA LYS A 32 259.829 264.275 243.703 1.00 0.00 C +ATOM 33 CA ARG A 33 256.235 265.171 242.811 1.00 0.00 C +ATOM 34 CA GLY A 34 252.621 264.903 243.988 1.00 0.00 C +ATOM 35 CA VAL A 35 249.527 262.769 243.364 1.00 0.00 C +ATOM 36 CA SER A 36 249.601 259.656 245.559 1.00 0.00 C +ATOM 37 CA PRO A 37 247.185 256.714 245.392 1.00 0.00 C +ATOM 38 CA ARG A 38 243.759 257.716 246.725 1.00 0.00 C +ATOM 39 CA ALA A 39 241.858 260.446 248.582 1.00 0.00 C +ATOM 40 CA ARG A 40 238.208 259.538 249.191 1.00 0.00 C +ATOM 41 CA ASP A 41 235.468 259.380 246.549 1.00 0.00 C +ATOM 42 CA ASP A 42 232.220 257.440 246.999 1.00 0.00 C +ATOM 43 CA ILE A 43 231.909 254.213 249.000 1.00 0.00 C +ATOM 44 CA LEU A 44 228.896 254.380 251.326 1.00 0.00 C +ATOM 45 CA ARG A 45 226.915 251.212 252.072 1.00 0.00 C +ATOM 46 CA GLY A 46 228.419 248.378 250.016 1.00 0.00 C +ATOM 47 CA GLU A 47 226.480 245.171 249.332 1.00 0.00 C +ATOM 48 CA THR A 48 226.563 243.638 245.845 1.00 0.00 C +TER 49 THR A 48 +END diff --git a/Mammals/Q3UGF3/Q3UGF3.dcd b/Mammals/Q3UGF3/Q3UGF3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..6c5de3c39401ccc95b5aa58e109d997cd823d773 --- /dev/null +++ b/Mammals/Q3UGF3/Q3UGF3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c3feac93f9baddd0fa5c6f1e0b852ad1da14da25206b99a78dfe4d1a61554f60 +size 16160276 diff --git a/Mammals/Q3UGF3/top.pdb b/Mammals/Q3UGF3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3aefcaf20813f1840133f674c9f82f5c59514554 --- /dev/null +++ b/Mammals/Q3UGF3/top.pdb @@ -0,0 +1,132 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 282.779 261.827 232.385 1.00 0.00 C +ATOM 2 CA ALA A 2 285.022 258.747 232.378 1.00 0.00 C +ATOM 3 CA SER A 3 285.245 256.779 235.633 1.00 0.00 C +ATOM 4 CA GLN A 4 288.489 254.781 235.548 1.00 0.00 C +ATOM 5 CA LYS A 5 290.626 254.289 238.663 1.00 0.00 C +ATOM 6 CA ARG A 6 290.066 251.333 241.001 1.00 0.00 C +ATOM 7 CA PRO A 7 286.546 251.424 242.457 1.00 0.00 C +ATOM 8 CA SER A 8 285.302 254.538 244.266 1.00 0.00 C +ATOM 9 CA GLN A 9 283.953 256.296 247.366 1.00 0.00 C +ATOM 10 CA ARG A 10 283.126 258.296 250.501 1.00 0.00 C +ATOM 11 CA SER A 11 285.974 259.076 252.909 1.00 0.00 C +ATOM 12 CA LYS A 12 288.617 260.988 250.943 1.00 0.00 C +ATOM 13 CA TYR A 13 291.805 261.150 253.023 1.00 0.00 C +ATOM 14 CA LEU A 14 292.718 261.398 256.713 1.00 0.00 C +ATOM 15 CA ALA A 15 294.617 261.491 260.015 1.00 0.00 C +ATOM 16 CA THR A 16 295.689 264.606 261.930 1.00 0.00 C +ATOM 17 CA ALA A 17 293.716 265.776 264.973 1.00 0.00 C +ATOM 18 CA SER A 18 295.572 267.001 268.067 1.00 0.00 C +ATOM 19 CA THR A 19 295.721 270.807 268.124 1.00 0.00 C +ATOM 20 CA MET A 20 297.856 273.573 269.644 1.00 0.00 C +ATOM 21 CA ASP A 21 297.334 276.532 271.986 1.00 0.00 C +ATOM 22 CA HIS A 22 298.884 279.947 271.312 1.00 0.00 C +ATOM 23 CA ALA A 23 298.145 283.015 269.177 1.00 0.00 C +ATOM 24 CA ARG A 24 296.570 284.745 266.170 1.00 0.00 C +ATOM 25 CA HIS A 25 295.032 285.891 262.878 1.00 0.00 C +ATOM 26 CA GLY A 26 292.525 288.526 261.744 1.00 0.00 C +ATOM 27 CA PHE A 27 290.838 288.398 258.330 1.00 0.00 C +ATOM 28 CA LEU A 28 287.356 286.880 258.627 1.00 0.00 C +ATOM 29 CA PRO A 29 286.314 283.215 258.640 1.00 0.00 C +ATOM 30 CA ARG A 30 287.423 280.283 260.805 1.00 0.00 C +ATOM 31 CA HIS A 31 290.278 278.587 258.938 1.00 0.00 C +ATOM 32 CA ARG A 32 290.606 280.025 255.425 1.00 0.00 C +ATOM 33 CA ASP A 33 287.574 278.676 253.555 1.00 0.00 C +ATOM 34 CA THR A 34 285.396 281.246 251.775 1.00 0.00 C +ATOM 35 CA GLY A 35 283.086 279.235 249.510 1.00 0.00 C +ATOM 36 CA ILE A 36 282.744 275.641 248.293 1.00 0.00 C +ATOM 37 CA LEU A 37 280.891 273.530 250.866 1.00 0.00 C +ATOM 38 CA ASP A 38 280.406 270.662 253.328 1.00 0.00 C +ATOM 39 CA SER A 39 279.245 268.790 256.436 1.00 0.00 C +ATOM 40 CA ILE A 40 278.432 265.944 258.835 1.00 0.00 C +ATOM 41 CA GLY A 41 276.386 266.849 261.919 1.00 0.00 C +ATOM 42 CA ARG A 42 273.395 267.913 264.026 1.00 0.00 C +ATOM 43 CA PHE A 43 274.228 266.992 267.628 1.00 0.00 C +ATOM 44 CA PHE A 44 275.636 263.975 269.481 1.00 0.00 C +ATOM 45 CA SER A 45 278.233 262.040 267.475 1.00 0.00 C +ATOM 46 CA GLY A 46 280.829 260.602 269.863 1.00 0.00 C +ATOM 47 CA ASP A 47 280.350 261.787 273.452 1.00 0.00 C +ATOM 48 CA ARG A 48 278.964 262.509 276.927 1.00 0.00 C +ATOM 49 CA GLY A 49 275.745 264.538 276.728 1.00 0.00 C +ATOM 50 CA ALA A 50 272.013 264.501 275.960 1.00 0.00 C +ATOM 51 CA PRO A 51 270.115 262.598 273.260 1.00 0.00 C +ATOM 52 CA LYS A 52 267.463 262.185 270.556 1.00 0.00 C +ATOM 53 CA ARG A 53 267.089 262.481 266.776 1.00 0.00 C +ATOM 54 CA GLY A 54 265.456 259.377 265.289 1.00 0.00 C +ATOM 55 CA SER A 55 261.901 258.216 266.016 1.00 0.00 C +ATOM 56 CA GLY A 56 258.487 257.070 267.260 1.00 0.00 C +ATOM 57 CA LYS A 57 255.716 254.727 268.422 1.00 0.00 C +ATOM 58 CA ASP A 58 252.899 254.477 265.869 1.00 0.00 C +ATOM 59 CA SER A 59 249.147 253.844 266.054 1.00 0.00 C +ATOM 60 CA HIS A 60 248.132 251.344 268.744 1.00 0.00 C +ATOM 61 CA THR A 61 245.993 252.979 271.439 1.00 0.00 C +ATOM 62 CA ARG A 62 244.326 255.461 273.801 1.00 0.00 C +ATOM 63 CA THR A 63 246.176 258.785 273.584 1.00 0.00 C +ATOM 64 CA THR A 64 248.141 259.892 270.513 1.00 0.00 C +ATOM 65 CA HIS A 65 246.898 259.575 266.925 1.00 0.00 C +ATOM 66 CA TYR A 66 245.352 258.174 263.737 1.00 0.00 C +ATOM 67 CA GLY A 67 247.023 256.190 260.946 1.00 0.00 C +ATOM 68 CA SER A 68 245.302 252.885 260.151 1.00 0.00 C +ATOM 69 CA LEU A 69 242.469 251.869 257.815 1.00 0.00 C +ATOM 70 CA PRO A 70 239.499 252.433 255.496 1.00 0.00 C +ATOM 71 CA GLN A 71 240.015 252.043 251.741 1.00 0.00 C +ATOM 72 CA LYS A 72 241.146 249.667 248.986 1.00 0.00 C +ATOM 73 CA SER A 73 242.515 246.514 247.342 1.00 0.00 C +ATOM 74 CA GLN A 74 239.991 243.675 247.635 1.00 0.00 C +ATOM 75 CA HIS A 75 236.481 242.208 247.418 1.00 0.00 C +ATOM 76 CA GLY A 76 233.028 241.384 246.035 1.00 0.00 C +ATOM 77 CA ARG A 77 232.300 241.124 242.305 1.00 0.00 C +ATOM 78 CA THR A 78 229.563 239.360 240.327 1.00 0.00 C +ATOM 79 CA GLN A 79 228.137 235.866 240.853 1.00 0.00 C +ATOM 80 CA ASP A 80 229.631 232.969 238.880 1.00 0.00 C +ATOM 81 CA GLU A 81 229.367 229.178 239.146 1.00 0.00 C +ATOM 82 CA ASN A 82 231.926 226.375 239.487 1.00 0.00 C +ATOM 83 CA PRO A 83 232.258 223.470 241.930 1.00 0.00 C +ATOM 84 CA VAL A 84 231.309 220.381 243.948 1.00 0.00 C +ATOM 85 CA VAL A 85 230.323 216.726 243.523 1.00 0.00 C +ATOM 86 CA HIS A 86 232.433 215.118 240.789 1.00 0.00 C +ATOM 87 CA PHE A 87 234.528 212.524 238.945 1.00 0.00 C +ATOM 88 CA PHE A 88 235.786 213.813 235.588 1.00 0.00 C +ATOM 89 CA LYS A 89 234.385 212.637 232.245 1.00 0.00 C +ATOM 90 CA ASN A 90 231.026 210.905 232.727 1.00 0.00 C +ATOM 91 CA ILE A 91 228.426 213.534 231.808 1.00 0.00 C +ATOM 92 CA VAL A 92 227.035 216.689 233.429 1.00 0.00 C +ATOM 93 CA THR A 93 228.643 218.880 236.099 1.00 0.00 C +ATOM 94 CA PRO A 94 227.469 222.400 235.234 1.00 0.00 C +ATOM 95 CA ARG A 95 224.732 224.304 233.391 1.00 0.00 C +ATOM 96 CA THR A 96 221.883 224.421 230.864 1.00 0.00 C +ATOM 97 CA PRO A 97 218.595 222.600 230.242 1.00 0.00 C +ATOM 98 CA PRO A 98 215.908 220.858 228.178 1.00 0.00 C +ATOM 99 CA PRO A 99 212.433 222.337 227.672 1.00 0.00 C +ATOM 100 CA SER A 100 209.120 222.037 225.815 1.00 0.00 C +ATOM 101 CA GLN A 101 206.164 221.693 228.193 1.00 0.00 C +ATOM 102 CA GLY A 102 204.019 221.777 231.341 1.00 0.00 C +ATOM 103 CA LYS A 103 200.431 220.635 230.761 1.00 0.00 C +ATOM 104 CA GLY A 104 197.011 220.424 232.426 1.00 0.00 C +ATOM 105 CA ARG A 105 194.600 221.223 235.267 1.00 0.00 C +ATOM 106 CA GLY A 106 192.223 219.910 237.940 1.00 0.00 C +ATOM 107 CA LEU A 107 190.896 221.930 240.885 1.00 0.00 C +ATOM 108 CA SER A 108 189.281 224.703 242.939 1.00 0.00 C +ATOM 109 CA LEU A 109 190.161 228.284 241.982 1.00 0.00 C +ATOM 110 CA SER A 110 193.577 228.698 240.346 1.00 0.00 C +ATOM 111 CA ARG A 111 193.611 230.630 237.062 1.00 0.00 C +ATOM 112 CA PHE A 112 194.631 228.930 233.809 1.00 0.00 C +ATOM 113 CA SER A 113 198.225 228.779 232.554 1.00 0.00 C +ATOM 114 CA TRP A 114 201.045 230.704 234.247 1.00 0.00 C +ATOM 115 CA GLY A 115 203.892 233.219 234.534 1.00 0.00 C +ATOM 116 CA GLY A 116 205.980 235.237 232.068 1.00 0.00 C +ATOM 117 CA ARG A 117 208.295 238.259 232.231 1.00 0.00 C +ATOM 118 CA ASP A 118 209.735 241.725 232.883 1.00 0.00 C +ATOM 119 CA SER A 119 213.082 243.522 233.171 1.00 0.00 C +ATOM 120 CA ARG A 120 212.945 245.279 236.550 1.00 0.00 C +ATOM 121 CA SER A 121 211.274 248.676 236.974 1.00 0.00 C +ATOM 122 CA GLY A 122 210.646 250.908 239.998 1.00 0.00 C +ATOM 123 CA SER A 123 212.541 252.368 242.963 1.00 0.00 C +ATOM 124 CA PRO A 124 215.347 254.062 244.905 1.00 0.00 C +ATOM 125 CA MET A 125 218.672 252.684 243.654 1.00 0.00 C +ATOM 126 CA ALA A 126 220.570 255.603 242.108 1.00 0.00 C +ATOM 127 CA ARG A 127 221.058 256.692 238.490 1.00 0.00 C +ATOM 128 CA ARG A 128 223.819 259.239 237.854 1.00 0.00 C +TER 129 ARG A 128 +END diff --git a/Mammals/Q3UGK1/Q3UGK1.dcd b/Mammals/Q3UGK1/Q3UGK1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..3470e21fde700c93e01d6ea95baca62b3c5ba9d5 --- /dev/null +++ b/Mammals/Q3UGK1/Q3UGK1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b3696920a95e825657c21e7ad47d9a81480eaa7c0cd95f17096f0cb1ed7ae450 +size 4520276 diff --git a/Mammals/Q3UGK1/top.pdb b/Mammals/Q3UGK1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..038660f42d855b730605b1294ea84970be0fe186 --- /dev/null +++ b/Mammals/Q3UGK1/top.pdb @@ -0,0 +1,35 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 272.727 257.921 252.978 1.00 0.00 C +ATOM 2 CA GLU A 2 270.553 255.188 254.500 1.00 0.00 C +ATOM 3 CA ASP A 3 267.676 256.376 256.697 1.00 0.00 C +ATOM 4 CA GLU A 4 265.328 258.251 259.040 1.00 0.00 C +ATOM 5 CA GLU A 5 262.392 260.625 259.549 1.00 0.00 C +ATOM 6 CA SER A 6 259.069 259.045 258.559 1.00 0.00 C +ATOM 7 CA SER A 7 256.586 256.192 258.102 1.00 0.00 C +ATOM 8 CA LYS A 8 253.234 256.963 259.742 1.00 0.00 C +ATOM 9 CA LYS A 9 251.763 258.369 262.963 1.00 0.00 C +ATOM 10 CA ASN A 10 247.968 258.359 262.621 1.00 0.00 C +ATOM 11 CA GLU A 11 245.039 255.949 262.266 1.00 0.00 C +ATOM 12 CA ASN A 12 243.750 254.512 265.551 1.00 0.00 C +ATOM 13 CA ASP A 13 240.258 254.078 267.011 1.00 0.00 C +ATOM 14 CA SER A 14 238.110 251.372 265.404 1.00 0.00 C +ATOM 15 CA ASN A 15 238.794 249.113 262.413 1.00 0.00 C +ATOM 16 CA ALA A 16 242.114 248.309 260.726 1.00 0.00 C +ATOM 17 CA ASP A 17 244.444 250.432 258.586 1.00 0.00 C +ATOM 18 CA SER A 18 246.834 249.174 255.899 1.00 0.00 C +ATOM 19 CA GLN A 19 246.744 248.327 252.185 1.00 0.00 C +ATOM 20 CA CYS A 20 243.970 247.139 249.859 1.00 0.00 C +ATOM 21 CA PRO A 21 245.457 247.531 246.373 1.00 0.00 C +ATOM 22 CA SER A 22 245.046 244.351 244.315 1.00 0.00 C +ATOM 23 CA VAL A 23 246.176 241.942 241.588 1.00 0.00 C +ATOM 24 CA GLY A 24 249.013 239.901 240.071 1.00 0.00 C +ATOM 25 CA PHE A 25 249.097 238.996 236.370 1.00 0.00 C +ATOM 26 CA PHE A 26 247.480 241.300 233.803 1.00 0.00 C +ATOM 27 CA HIS A 27 247.367 243.846 230.971 1.00 0.00 C +ATOM 28 CA LYS A 28 248.374 242.731 227.470 1.00 0.00 C +ATOM 29 CA ASP A 29 246.562 240.693 224.808 1.00 0.00 C +ATOM 30 CA HIS A 30 244.933 240.942 221.373 1.00 0.00 C +ATOM 31 CA MET A 31 243.143 242.071 218.205 1.00 0.00 C +TER 32 MET A 31 +END diff --git a/Mammals/Q3UHK0/Q3UHK0.dcd b/Mammals/Q3UHK0/Q3UHK0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..93164f0acbaa77ee459117b57121902d12fcf3cf --- /dev/null +++ b/Mammals/Q3UHK0/Q3UHK0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0b75a30341586ec5c3b2ca14136fb6b043afb598d0af7eb0aca55a7acb61363e +size 78160276 diff --git a/Mammals/Q3UHK0/top.pdb b/Mammals/Q3UHK0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e22262135f05a10646804e5e57c67ddbbb875b53 --- /dev/null +++ b/Mammals/Q3UHK0/top.pdb @@ -0,0 +1,323 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 830.000 830.000 830.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLY A 1 429.195 329.188 401.585 1.00 0.00 C +ATOM 2 CA CYS A 2 431.509 328.488 404.530 1.00 0.00 C +ATOM 3 CA VAL A 3 431.033 328.445 408.310 1.00 0.00 C +ATOM 4 CA PRO A 4 430.547 326.054 411.237 1.00 0.00 C +ATOM 5 CA ARG A 5 431.460 327.399 414.683 1.00 0.00 C +ATOM 6 CA ALA A 6 434.223 328.926 416.817 1.00 0.00 C +ATOM 7 CA GLY A 7 435.684 329.420 420.301 1.00 0.00 C +ATOM 8 CA ARG A 8 434.309 330.809 423.571 1.00 0.00 C +ATOM 9 CA ARG A 9 432.668 328.982 426.483 1.00 0.00 C +ATOM 10 CA ARG A 10 431.153 325.856 428.049 1.00 0.00 C +ATOM 11 CA ALA A 11 430.310 323.215 430.663 1.00 0.00 C +ATOM 12 CA ARG A 12 430.639 319.424 430.479 1.00 0.00 C +ATOM 13 CA SER A 13 432.324 316.008 430.378 1.00 0.00 C +ATOM 14 CA PRO A 14 432.046 312.873 428.231 1.00 0.00 C +ATOM 15 CA SER A 15 428.858 310.978 427.357 1.00 0.00 C +ATOM 16 CA LEU A 16 425.741 312.356 425.654 1.00 0.00 C +ATOM 17 CA ALA A 17 422.180 313.551 426.290 1.00 0.00 C +ATOM 18 CA LEU A 18 421.182 317.035 425.114 1.00 0.00 C +ATOM 19 CA GLY A 19 418.793 319.290 427.044 1.00 0.00 C +ATOM 20 CA ALA A 20 415.773 321.234 425.773 1.00 0.00 C +ATOM 21 CA THR A 21 414.977 324.470 423.925 1.00 0.00 C +ATOM 22 CA ARG A 22 414.392 325.774 420.394 1.00 0.00 C +ATOM 23 CA PRO A 23 416.298 327.958 417.921 1.00 0.00 C +ATOM 24 CA VAL A 24 416.525 328.609 414.174 1.00 0.00 C +ATOM 25 CA ASN A 25 417.690 330.572 411.123 1.00 0.00 C +ATOM 26 CA PRO A 26 415.446 333.563 410.395 1.00 0.00 C +ATOM 27 CA HIS A 27 414.628 337.203 411.171 1.00 0.00 C +ATOM 28 CA ILE A 28 411.196 338.857 411.151 1.00 0.00 C +ATOM 29 CA CYS A 29 407.681 340.327 411.113 1.00 0.00 C +ATOM 30 CA CYS A 30 406.248 339.667 407.646 1.00 0.00 C +ATOM 31 CA ARG A 31 407.272 336.947 405.182 1.00 0.00 C +ATOM 32 CA GLN A 32 409.909 335.312 402.971 1.00 0.00 C +ATOM 33 CA PRO A 33 413.250 333.855 404.077 1.00 0.00 C +ATOM 34 CA ARG A 34 415.986 336.496 404.319 1.00 0.00 C +ATOM 35 CA GLU A 35 418.882 336.022 401.888 1.00 0.00 C +ATOM 36 CA GLY A 36 420.986 339.147 401.318 1.00 0.00 C +ATOM 37 CA THR A 37 422.139 341.508 404.077 1.00 0.00 C +ATOM 38 CA ALA A 38 420.155 344.752 404.320 1.00 0.00 C +ATOM 39 CA GLU A 39 420.601 348.318 405.583 1.00 0.00 C +ATOM 40 CA ARG A 40 421.600 348.119 409.254 1.00 0.00 C +ATOM 41 CA GLY A 41 422.084 351.725 410.385 1.00 0.00 C +ATOM 42 CA CYS A 42 419.990 354.625 411.696 1.00 0.00 C +ATOM 43 CA SER A 43 417.218 354.226 414.280 1.00 0.00 C +ATOM 44 CA SER A 44 416.834 351.757 417.156 1.00 0.00 C +ATOM 45 CA ARG A 45 418.247 348.504 418.546 1.00 0.00 C +ATOM 46 CA ARG A 46 418.216 348.676 422.352 1.00 0.00 C +ATOM 47 CA THR A 47 420.036 349.321 425.636 1.00 0.00 C +ATOM 48 CA THR A 48 422.195 352.435 425.240 1.00 0.00 C +ATOM 49 CA ASP A 49 425.498 353.893 426.456 1.00 0.00 C +ATOM 50 CA HIS A 50 428.180 353.445 429.125 1.00 0.00 C +ATOM 51 CA LEU A 51 431.692 352.163 429.856 1.00 0.00 C +ATOM 52 CA SER A 52 433.340 348.788 430.496 1.00 0.00 C +ATOM 53 CA GLY A 53 435.637 346.821 428.179 1.00 0.00 C +ATOM 54 CA LEU A 54 436.435 347.187 424.472 1.00 0.00 C +ATOM 55 CA SER A 55 439.139 349.621 423.340 1.00 0.00 C +ATOM 56 CA ALA A 56 440.390 352.633 425.311 1.00 0.00 C +ATOM 57 CA ARG A 57 441.189 356.111 426.644 1.00 0.00 C +ATOM 58 CA TYR A 58 439.924 359.697 426.405 1.00 0.00 C +ATOM 59 CA GLN A 59 440.075 362.104 423.456 1.00 0.00 C +ATOM 60 CA LEU A 60 439.092 361.527 419.820 1.00 0.00 C +ATOM 61 CA PRO A 61 436.435 363.719 418.192 1.00 0.00 C +ATOM 62 CA PRO A 62 434.077 366.691 418.548 1.00 0.00 C +ATOM 63 CA ARG A 63 433.445 369.713 420.779 1.00 0.00 C +ATOM 64 CA LEU A 64 430.077 371.324 420.017 1.00 0.00 C +ATOM 65 CA SER A 65 430.020 375.117 419.654 1.00 0.00 C +ATOM 66 CA LEU A 66 430.702 378.861 419.827 1.00 0.00 C +ATOM 67 CA ARG A 67 433.038 381.767 419.043 1.00 0.00 C +ATOM 68 CA ALA A 68 434.640 383.011 415.818 1.00 0.00 C +ATOM 69 CA PRO A 69 433.382 383.617 412.273 1.00 0.00 C +ATOM 70 CA GLY A 70 430.694 382.524 409.804 1.00 0.00 C +ATOM 71 CA SER A 71 430.153 381.595 406.149 1.00 0.00 C +ATOM 72 CA PRO A 72 427.227 380.243 404.119 1.00 0.00 C +ATOM 73 CA GLU A 73 423.495 379.681 404.641 1.00 0.00 C +ATOM 74 CA SER A 74 422.981 375.906 404.603 1.00 0.00 C +ATOM 75 CA LEU A 75 424.927 373.739 402.147 1.00 0.00 C +ATOM 76 CA SER A 76 423.622 370.808 400.092 1.00 0.00 C +ATOM 77 CA PRO A 77 425.057 367.423 399.093 1.00 0.00 C +ATOM 78 CA GLY A 78 426.542 364.036 398.174 1.00 0.00 C +ATOM 79 CA LEU A 79 424.781 361.118 399.877 1.00 0.00 C +ATOM 80 CA PRO A 80 423.139 357.726 400.435 1.00 0.00 C +ATOM 81 CA LEU A 81 421.609 356.872 403.819 1.00 0.00 C +ATOM 82 CA ALA A 82 422.060 358.748 407.104 1.00 0.00 C +ATOM 83 CA ALA A 83 422.186 362.032 409.030 1.00 0.00 C +ATOM 84 CA ALA A 84 420.616 364.822 406.965 1.00 0.00 C +ATOM 85 CA ALA A 85 420.509 367.813 404.607 1.00 0.00 C +ATOM 86 CA PRO A 86 418.226 367.869 401.557 1.00 0.00 C +ATOM 87 CA GLY A 87 414.863 366.454 402.656 1.00 0.00 C +ATOM 88 CA ARG A 88 411.111 366.516 403.313 1.00 0.00 C +ATOM 89 CA ALA A 89 410.283 367.560 406.882 1.00 0.00 C +ATOM 90 CA ARG A 90 411.980 369.966 409.300 1.00 0.00 C +ATOM 91 CA ARG A 91 409.535 372.836 409.852 1.00 0.00 C +ATOM 92 CA GLY A 92 410.559 374.474 413.136 1.00 0.00 C +ATOM 93 CA PRO A 93 409.227 374.438 416.705 1.00 0.00 C +ATOM 94 CA ALA A 94 408.472 376.714 419.666 1.00 0.00 C +ATOM 95 CA ARG A 95 408.217 379.988 421.597 1.00 0.00 C +ATOM 96 CA ARG A 96 408.841 379.446 425.316 1.00 0.00 C +ATOM 97 CA GLY A 97 412.477 380.229 426.145 1.00 0.00 C +ATOM 98 CA PRO A 98 414.997 378.491 423.877 1.00 0.00 C +ATOM 99 CA ALA A 99 418.711 378.962 423.172 1.00 0.00 C +ATOM 100 CA ALA A 100 422.422 379.736 423.557 1.00 0.00 C +ATOM 101 CA CYS A 101 423.576 380.296 427.144 1.00 0.00 C +ATOM 102 CA VAL A 102 425.082 380.356 430.644 1.00 0.00 C +ATOM 103 CA ARG A 103 425.018 383.381 432.960 1.00 0.00 C +ATOM 104 CA PRO A 104 425.883 384.843 436.371 1.00 0.00 C +ATOM 105 CA SER A 105 427.334 382.551 439.047 1.00 0.00 C +ATOM 106 CA ALA A 106 427.184 380.463 442.230 1.00 0.00 C +ATOM 107 CA ALA A 107 427.581 380.883 445.996 1.00 0.00 C +ATOM 108 CA ARG A 108 424.229 381.102 447.794 1.00 0.00 C +ATOM 109 CA PRO A 109 421.831 383.582 449.410 1.00 0.00 C +ATOM 110 CA ARG A 110 421.760 386.120 452.250 1.00 0.00 C +ATOM 111 CA LEU A 111 420.423 384.315 455.327 1.00 0.00 C +ATOM 112 CA ARG A 112 417.319 385.140 457.377 1.00 0.00 C +ATOM 113 CA ARG A 113 416.679 384.441 461.067 1.00 0.00 C +ATOM 114 CA GLY A 114 417.273 384.401 464.830 1.00 0.00 C +ATOM 115 CA ALA A 115 417.141 387.500 467.044 1.00 0.00 C +ATOM 116 CA PRO A 116 416.587 390.403 464.640 1.00 0.00 C +ATOM 117 CA PRO A 117 416.404 393.827 462.979 1.00 0.00 C +ATOM 118 CA SER A 118 413.622 394.201 460.403 1.00 0.00 C +ATOM 119 CA ALA A 119 414.846 395.018 456.889 1.00 0.00 C +ATOM 120 CA ARG A 120 416.151 395.750 453.385 1.00 0.00 C +ATOM 121 CA ARG A 121 419.927 395.238 453.384 1.00 0.00 C +ATOM 122 CA GLY A 122 422.223 396.745 456.024 1.00 0.00 C +ATOM 123 CA ARG A 123 421.865 400.424 456.950 1.00 0.00 C +ATOM 124 CA ALA A 124 420.119 402.837 459.327 1.00 0.00 C +ATOM 125 CA ALA A 125 418.673 401.947 462.737 1.00 0.00 C +ATOM 126 CA PRO A 126 417.734 400.149 465.963 1.00 0.00 C +ATOM 127 CA ALA A 127 420.168 398.151 468.107 1.00 0.00 C +ATOM 128 CA ALA A 128 422.922 396.807 465.842 1.00 0.00 C +ATOM 129 CA ALA A 129 426.366 395.917 467.207 1.00 0.00 C +ATOM 130 CA PRO A 130 430.171 396.038 467.071 1.00 0.00 C +ATOM 131 CA PRO A 131 433.187 396.531 464.795 1.00 0.00 C +ATOM 132 CA GLY A 132 433.481 399.937 463.114 1.00 0.00 C +ATOM 133 CA SER A 133 435.743 402.831 462.104 1.00 0.00 C +ATOM 134 CA SER A 134 433.448 405.734 461.197 1.00 0.00 C +ATOM 135 CA LEU A 135 430.867 407.276 463.537 1.00 0.00 C +ATOM 136 CA PRO A 136 427.819 406.791 465.772 1.00 0.00 C +ATOM 137 CA ALA A 137 427.228 403.217 466.952 1.00 0.00 C +ATOM 138 CA ARG A 138 426.889 402.171 470.599 1.00 0.00 C +ATOM 139 CA GLY A 139 424.513 403.895 473.028 1.00 0.00 C +ATOM 140 CA LEU A 140 421.053 402.479 472.298 1.00 0.00 C +ATOM 141 CA ALA A 141 418.403 405.109 473.058 1.00 0.00 C +ATOM 142 CA THR A 142 417.398 408.644 474.063 1.00 0.00 C +ATOM 143 CA PRO A 143 417.556 412.446 473.859 1.00 0.00 C +ATOM 144 CA PRO A 144 416.619 416.138 473.918 1.00 0.00 C +ATOM 145 CA ALA A 145 414.451 417.926 471.345 1.00 0.00 C +ATOM 146 CA ARG A 146 412.101 418.615 468.427 1.00 0.00 C +ATOM 147 CA ALA A 147 410.309 416.151 466.139 1.00 0.00 C +ATOM 148 CA GLY A 148 408.678 413.463 463.988 1.00 0.00 C +ATOM 149 CA GLY A 149 406.901 410.716 465.941 1.00 0.00 C +ATOM 150 CA ARG A 150 408.251 407.241 466.724 1.00 0.00 C +ATOM 151 CA ALA A 151 410.318 404.523 465.033 1.00 0.00 C +ATOM 152 CA GLU A 152 408.452 402.158 462.700 1.00 0.00 C +ATOM 153 CA GLY A 153 408.520 403.825 459.275 1.00 0.00 C +ATOM 154 CA ARG A 154 406.249 406.441 457.688 1.00 0.00 C +ATOM 155 CA ALA A 155 403.971 407.911 460.365 1.00 0.00 C +ATOM 156 CA GLY A 156 401.036 410.177 461.237 1.00 0.00 C +ATOM 157 CA ALA A 157 401.482 413.813 462.285 1.00 0.00 C +ATOM 158 CA ALA A 158 398.953 416.453 463.357 1.00 0.00 C +ATOM 159 CA ALA A 159 397.866 418.385 460.258 1.00 0.00 C +ATOM 160 CA ALA A 160 396.229 416.612 457.310 1.00 0.00 C +ATOM 161 CA ALA A 161 392.764 416.881 455.750 1.00 0.00 C +ATOM 162 CA ALA A 162 389.809 415.057 457.317 1.00 0.00 C +ATOM 163 CA ALA A 163 386.359 414.441 455.822 1.00 0.00 C +ATOM 164 CA ALA A 164 386.267 411.092 454.008 1.00 0.00 C +ATOM 165 CA ALA A 165 387.868 408.315 451.948 1.00 0.00 C +ATOM 166 CA GLY A 166 391.207 406.813 453.002 1.00 0.00 C +ATOM 167 CA ARG A 167 393.240 405.710 456.029 1.00 0.00 C +ATOM 168 CA PRO A 168 397.007 405.219 456.328 1.00 0.00 C +ATOM 169 CA GLU A 169 399.147 405.455 453.185 1.00 0.00 C +ATOM 170 CA GLU A 170 400.681 408.927 452.854 1.00 0.00 C +ATOM 171 CA GLU A 171 403.006 411.943 452.720 1.00 0.00 C +ATOM 172 CA VAL A 172 405.833 413.315 450.567 1.00 0.00 C +ATOM 173 CA GLU A 173 409.340 414.102 449.304 1.00 0.00 C +ATOM 174 CA LYS A 174 411.208 416.302 446.816 1.00 0.00 C +ATOM 175 CA LYS A 175 410.494 419.834 445.578 1.00 0.00 C +ATOM 176 CA ALA A 176 413.432 421.004 443.454 1.00 0.00 C +ATOM 177 CA GLN A 177 412.505 423.657 440.882 1.00 0.00 C +ATOM 178 CA ALA A 178 411.316 427.257 441.259 1.00 0.00 C +ATOM 179 CA GLY A 179 408.419 427.773 438.839 1.00 0.00 C +ATOM 180 CA ARG A 180 408.428 425.339 435.908 1.00 0.00 C +ATOM 181 CA ALA A 181 407.863 422.235 433.772 1.00 0.00 C +ATOM 182 CA PRO A 182 409.343 418.784 434.420 1.00 0.00 C +ATOM 183 CA GLY A 183 411.592 415.734 434.028 1.00 0.00 C +ATOM 184 CA VAL A 184 414.783 413.919 433.009 1.00 0.00 C +ATOM 185 CA GLU A 185 417.577 413.993 430.419 1.00 0.00 C +ATOM 186 CA ARG A 186 417.595 417.078 428.184 1.00 0.00 C +ATOM 187 CA ALA A 187 417.070 420.846 427.979 1.00 0.00 C +ATOM 188 CA PRO A 188 416.096 422.676 431.176 1.00 0.00 C +ATOM 189 CA GLN A 189 412.992 424.825 431.686 1.00 0.00 C +ATOM 190 CA ASP A 190 411.900 428.468 431.452 1.00 0.00 C +ATOM 191 CA ALA A 191 413.983 430.343 428.872 1.00 0.00 C +ATOM 192 CA ARG A 192 417.524 431.325 427.863 1.00 0.00 C +ATOM 193 CA VAL A 193 420.953 432.980 427.740 1.00 0.00 C +ATOM 194 CA GLU A 194 423.663 434.464 425.511 1.00 0.00 C +ATOM 195 CA PRO A 195 427.340 435.239 424.878 1.00 0.00 C +ATOM 196 CA ALA A 196 430.396 436.924 426.406 1.00 0.00 C +ATOM 197 CA GLY A 197 431.005 437.876 430.045 1.00 0.00 C +ATOM 198 CA ASP A 198 430.854 441.585 430.904 1.00 0.00 C +ATOM 199 CA ARG A 199 427.339 442.786 430.054 1.00 0.00 C +ATOM 200 CA GLU A 200 423.772 442.725 428.719 1.00 0.00 C +ATOM 201 CA GLY A 201 421.754 445.850 427.897 1.00 0.00 C +ATOM 202 CA VAL A 202 418.067 446.631 427.337 1.00 0.00 C +ATOM 203 CA ILE A 203 416.019 446.434 424.130 1.00 0.00 C +ATOM 204 CA ALA A 204 413.495 444.924 421.709 1.00 0.00 C +ATOM 205 CA PRO A 205 414.247 446.345 418.255 1.00 0.00 C +ATOM 206 CA PRO A 206 417.987 446.943 417.839 1.00 0.00 C +ATOM 207 CA PRO A 207 420.694 445.107 419.794 1.00 0.00 C +ATOM 208 CA ARG A 208 424.403 444.514 420.432 1.00 0.00 C +ATOM 209 CA PRO A 209 426.845 446.100 417.975 1.00 0.00 C +ATOM 210 CA SER A 210 428.958 448.967 419.330 1.00 0.00 C +ATOM 211 CA PRO A 211 432.094 449.393 417.208 1.00 0.00 C +ATOM 212 CA SER A 212 435.796 449.426 418.110 1.00 0.00 C +ATOM 213 CA PRO A 213 439.210 449.961 416.505 1.00 0.00 C +ATOM 214 CA ALA A 214 440.570 450.751 413.035 1.00 0.00 C +ATOM 215 CA PRO A 215 443.616 449.027 411.529 1.00 0.00 C +ATOM 216 CA ARG A 216 444.257 449.414 407.794 1.00 0.00 C +ATOM 217 CA LEU A 217 447.011 450.759 405.531 1.00 0.00 C +ATOM 218 CA PRO A 218 450.604 449.497 405.406 1.00 0.00 C +ATOM 219 CA ARG A 219 450.747 447.236 402.343 1.00 0.00 C +ATOM 220 CA ILE A 220 454.163 445.964 401.235 1.00 0.00 C +ATOM 221 CA PRO A 221 455.493 444.202 398.129 1.00 0.00 C +ATOM 222 CA GLY A 222 455.331 445.445 394.531 1.00 0.00 C +ATOM 223 CA PRO A 223 455.702 446.158 390.807 1.00 0.00 C +ATOM 224 CA GLY A 224 452.517 445.621 388.786 1.00 0.00 C +ATOM 225 CA PRO A 225 451.280 443.304 386.026 1.00 0.00 C +ATOM 226 CA ALA A 226 452.123 443.549 382.318 1.00 0.00 C +ATOM 227 CA PRO A 227 449.447 445.671 380.630 1.00 0.00 C +ATOM 228 CA ARG A 228 447.567 448.335 378.660 1.00 0.00 C +ATOM 229 CA LYS A 229 446.801 450.097 375.369 1.00 0.00 C +ATOM 230 CA ARG A 230 446.618 451.735 371.934 1.00 0.00 C +ATOM 231 CA SER A 231 446.024 450.295 368.457 1.00 0.00 C +ATOM 232 CA GLY A 232 448.943 450.560 366.024 1.00 0.00 C +ATOM 233 CA VAL A 233 449.014 449.300 362.429 1.00 0.00 C +ATOM 234 CA SER A 234 448.357 448.836 358.705 1.00 0.00 C +ATOM 235 CA ARG A 235 445.107 449.085 356.731 1.00 0.00 C +ATOM 236 CA ALA A 236 441.615 450.581 356.451 1.00 0.00 C +ATOM 237 CA ARG A 237 439.323 452.066 359.108 1.00 0.00 C +ATOM 238 CA SER A 238 435.724 453.292 358.851 1.00 0.00 C +ATOM 239 CA GLY A 239 432.243 452.079 357.890 1.00 0.00 C +ATOM 240 CA PRO A 240 429.124 451.034 355.967 1.00 0.00 C +ATOM 241 CA ALA A 241 427.145 448.143 354.470 1.00 0.00 C +ATOM 242 CA ALA A 242 423.856 446.444 353.571 1.00 0.00 C +ATOM 243 CA THR A 243 420.267 446.755 354.812 1.00 0.00 C +ATOM 244 CA ALA A 244 418.472 443.507 353.948 1.00 0.00 C +ATOM 245 CA THR A 245 414.749 443.114 353.243 1.00 0.00 C +ATOM 246 CA ALA A 246 411.123 443.653 352.206 1.00 0.00 C +ATOM 247 CA VAL A 247 408.252 442.796 354.560 1.00 0.00 C +ATOM 248 CA ALA A 248 406.084 442.757 357.693 1.00 0.00 C +ATOM 249 CA THR A 249 405.000 441.792 361.216 1.00 0.00 C +ATOM 250 CA HIS A 250 406.696 443.480 364.180 1.00 0.00 C +ATOM 251 CA ALA A 251 408.712 446.333 365.700 1.00 0.00 C +ATOM 252 CA LEU A 252 407.335 449.885 365.710 1.00 0.00 C +ATOM 253 CA THR A 253 404.563 452.356 366.563 1.00 0.00 C +ATOM 254 CA GLN A 254 403.250 453.453 369.968 1.00 0.00 C +ATOM 255 CA ALA A 255 399.990 454.570 371.592 1.00 0.00 C +ATOM 256 CA ALA A 256 396.599 455.128 373.237 1.00 0.00 C +ATOM 257 CA THR A 257 394.015 457.710 372.157 1.00 0.00 C +ATOM 258 CA SER A 258 394.048 461.510 371.878 1.00 0.00 C +ATOM 259 CA ILE A 259 396.702 462.778 369.456 1.00 0.00 C +ATOM 260 CA GLN A 260 400.455 463.432 369.503 1.00 0.00 C +ATOM 261 CA ALA A 261 403.309 461.899 371.508 1.00 0.00 C +ATOM 262 CA ARG A 262 406.179 464.352 372.021 1.00 0.00 C +ATOM 263 CA ARG A 263 407.176 467.800 373.302 1.00 0.00 C +ATOM 264 CA PRO A 264 407.339 471.605 373.213 1.00 0.00 C +ATOM 265 CA ARG A 265 407.078 474.816 375.248 1.00 0.00 C +ATOM 266 CA LEU A 266 406.736 477.894 377.466 1.00 0.00 C +ATOM 267 CA GLY A 267 405.632 478.364 381.083 1.00 0.00 C +ATOM 268 CA ALA A 268 402.386 476.632 382.072 1.00 0.00 C +ATOM 269 CA HIS A 269 402.942 473.002 383.083 1.00 0.00 C +ATOM 270 CA ARG A 270 403.115 472.130 386.788 1.00 0.00 C +ATOM 271 CA ARG A 271 400.724 469.263 387.550 1.00 0.00 C +ATOM 272 CA PRO A 272 400.929 467.947 391.119 1.00 0.00 C +ATOM 273 CA GLY A 273 401.146 469.400 394.635 1.00 0.00 C +ATOM 274 CA SER A 274 398.869 472.435 394.975 1.00 0.00 C +ATOM 275 CA ARG A 275 398.790 475.672 396.983 1.00 0.00 C +ATOM 276 CA SER A 276 395.124 476.623 397.400 1.00 0.00 C +ATOM 277 CA ALA A 277 393.556 479.907 398.527 1.00 0.00 C +ATOM 278 CA PRO A 278 393.397 482.543 395.781 1.00 0.00 C +ATOM 279 CA PRO A 279 395.604 485.642 395.973 1.00 0.00 C +ATOM 280 CA SER A 280 394.621 489.148 394.852 1.00 0.00 C +ATOM 281 CA SER A 281 393.836 489.672 391.161 1.00 0.00 C +ATOM 282 CA LEU A 282 393.235 486.553 389.057 1.00 0.00 C +ATOM 283 CA PRO A 283 390.973 483.513 389.445 1.00 0.00 C +ATOM 284 CA THR A 284 387.257 483.789 390.239 1.00 0.00 C +ATOM 285 CA LEU A 285 384.865 486.694 390.834 1.00 0.00 C +ATOM 286 CA GLN A 286 384.644 489.522 388.291 1.00 0.00 C +ATOM 287 CA CYS A 287 382.122 492.378 388.294 1.00 0.00 C +ATOM 288 CA GLN A 288 382.219 495.748 386.518 1.00 0.00 C +ATOM 289 CA LEU A 289 380.326 498.870 385.429 1.00 0.00 C +ATOM 290 CA GLN A 290 377.493 501.087 386.685 1.00 0.00 C +ATOM 291 CA SER A 291 376.321 504.710 386.798 1.00 0.00 C +ATOM 292 CA CYS A 292 373.255 506.967 386.954 1.00 0.00 C +ATOM 293 CA GLY A 293 371.330 508.252 383.928 1.00 0.00 C +ATOM 294 CA THR A 294 372.622 506.772 380.664 1.00 0.00 C +ATOM 295 CA GLY A 295 374.929 507.806 377.813 1.00 0.00 C +ATOM 296 CA ARG A 296 375.270 511.142 376.005 1.00 0.00 C +ATOM 297 CA GLY A 297 375.790 514.670 374.664 1.00 0.00 C +ATOM 298 CA GLY A 298 373.226 517.478 374.427 1.00 0.00 C +ATOM 299 CA GLU A 299 372.684 520.705 372.475 1.00 0.00 C +ATOM 300 CA GLU A 300 369.775 523.164 372.372 1.00 0.00 C +ATOM 301 CA ALA A 301 370.626 526.870 372.618 1.00 0.00 C +ATOM 302 CA ALA A 302 372.460 530.203 372.819 1.00 0.00 C +ATOM 303 CA ALA A 303 374.846 531.763 375.347 1.00 0.00 C +ATOM 304 CA GLU A 304 378.233 533.242 374.422 1.00 0.00 C +ATOM 305 CA ALA A 305 382.042 533.275 374.523 1.00 0.00 C +ATOM 306 CA ARG A 306 384.048 534.694 377.434 1.00 0.00 C +ATOM 307 CA PRO A 307 385.290 534.230 381.006 1.00 0.00 C +ATOM 308 CA SER A 308 388.647 532.618 381.809 1.00 0.00 C +ATOM 309 CA LEU A 309 388.001 530.417 384.851 1.00 0.00 C +ATOM 310 CA ALA A 310 388.162 526.611 384.779 1.00 0.00 C +ATOM 311 CA ARG A 311 387.313 523.479 386.774 1.00 0.00 C +ATOM 312 CA LEU A 312 385.734 520.020 387.016 1.00 0.00 C +ATOM 313 CA SER A 313 382.288 519.904 388.637 1.00 0.00 C +ATOM 314 CA LEU A 314 378.909 518.407 389.564 1.00 0.00 C +ATOM 315 CA GLY A 315 377.007 517.681 386.344 1.00 0.00 C +ATOM 316 CA PRO A 316 373.807 516.382 384.734 1.00 0.00 C +ATOM 317 CA GLN A 317 370.819 518.739 384.565 1.00 0.00 C +ATOM 318 CA ARG A 318 371.377 522.079 386.311 1.00 0.00 C +ATOM 319 CA GLN A 319 370.092 525.205 384.554 1.00 0.00 C +TER 320 GLN A 319 +END diff --git a/Mammals/Q3UIL4/Q3UIL4.dcd b/Mammals/Q3UIL4/Q3UIL4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..6e08a5f1dba037c6073201ba6731cb21114a4157 --- /dev/null +++ b/Mammals/Q3UIL4/Q3UIL4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ee7b1870d54d4caef0a9e6e1a104f63def1844267c253691cba85781b446471f +size 4520276 diff --git a/Mammals/Q3UIL4/top.pdb b/Mammals/Q3UIL4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b9c175ca481ff61ce16b8e43f6b15268e56c9725 --- /dev/null +++ b/Mammals/Q3UIL4/top.pdb @@ -0,0 +1,35 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLY A 1 251.322 267.300 260.596 1.00 0.00 C +ATOM 2 CA ALA A 2 254.243 266.038 258.500 1.00 0.00 C +ATOM 3 CA ARG A 3 257.020 264.294 256.561 1.00 0.00 C +ATOM 4 CA ALA A 4 259.073 265.879 253.770 1.00 0.00 C +ATOM 5 CA CYS A 5 261.889 263.765 252.316 1.00 0.00 C +ATOM 6 CA ALA A 6 261.380 262.053 248.950 1.00 0.00 C +ATOM 7 CA ARG A 7 264.469 261.187 246.895 1.00 0.00 C +ATOM 8 CA GLU A 8 264.560 257.378 246.878 1.00 0.00 C +ATOM 9 CA GLY A 9 266.863 255.828 244.269 1.00 0.00 C +ATOM 10 CA LEU A 10 265.166 255.460 240.878 1.00 0.00 C +ATOM 11 CA ALA A 11 263.184 258.590 239.987 1.00 0.00 C +ATOM 12 CA LYS A 12 259.740 259.938 239.073 1.00 0.00 C +ATOM 13 CA GLY A 13 256.079 260.884 239.545 1.00 0.00 C +ATOM 14 CA ASN A 14 252.522 262.021 240.299 1.00 0.00 C +ATOM 15 CA ASP A 15 250.055 260.333 242.662 1.00 0.00 C +ATOM 16 CA ARG A 16 248.442 257.552 244.706 1.00 0.00 C +ATOM 17 CA LYS A 17 250.975 256.003 247.094 1.00 0.00 C +ATOM 18 CA GLU A 18 249.219 252.978 248.604 1.00 0.00 C +ATOM 19 CA ALA A 19 249.634 249.191 248.586 1.00 0.00 C +ATOM 20 CA ARG A 20 246.896 246.963 247.151 1.00 0.00 C +ATOM 21 CA LEU A 21 243.206 246.159 246.649 1.00 0.00 C +ATOM 22 CA ALA A 22 241.026 243.045 246.389 1.00 0.00 C +ATOM 23 CA ARG A 23 240.692 240.564 249.261 1.00 0.00 C +ATOM 24 CA SER A 24 237.929 238.067 250.061 1.00 0.00 C +ATOM 25 CA PRO A 25 237.826 235.681 253.030 1.00 0.00 C +ATOM 26 CA ARG A 26 236.510 232.119 253.334 1.00 0.00 C +ATOM 27 CA THR A 27 236.923 228.376 253.917 1.00 0.00 C +ATOM 28 CA LEU A 28 237.065 226.595 257.282 1.00 0.00 C +ATOM 29 CA HIS A 29 236.349 225.179 260.746 1.00 0.00 C +ATOM 30 CA PRO A 30 234.612 225.055 264.134 1.00 0.00 C +ATOM 31 CA LEU A 31 235.129 225.524 267.880 1.00 0.00 C +TER 32 LEU A 31 +END diff --git a/Mammals/Q3UK76/Q3UK76.dcd b/Mammals/Q3UK76/Q3UK76.dcd new file mode 100644 index 0000000000000000000000000000000000000000..713017f3dd3dd7e0c91b9a188a34c0eabd8b9892 --- /dev/null +++ b/Mammals/Q3UK76/Q3UK76.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:04de984dc2d86dfa8ff160eb22f242bbc884b9c93adb1b6162595ddf69f11d22 +size 20240276 diff --git a/Mammals/Q3UK76/top.pdb b/Mammals/Q3UK76/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ceb2e5fdcac153a4f637f75f188875192a5af7b3 --- /dev/null +++ b/Mammals/Q3UK76/top.pdb @@ -0,0 +1,166 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA VAL A 1 211.558 256.245 270.109 1.00 0.00 C +ATOM 2 CA GLY A 2 209.501 257.606 273.014 1.00 0.00 C +ATOM 3 CA ARG A 3 207.409 259.683 275.427 1.00 0.00 C +ATOM 4 CA GLY A 4 208.417 263.044 276.911 1.00 0.00 C +ATOM 5 CA ARG A 5 212.014 264.203 277.395 1.00 0.00 C +ATOM 6 CA PRO A 6 213.030 267.683 278.567 1.00 0.00 C +ATOM 7 CA GLU A 7 215.144 270.848 278.755 1.00 0.00 C +ATOM 8 CA GLY A 8 218.487 271.892 280.255 1.00 0.00 C +ATOM 9 CA GLU A 9 221.941 270.673 279.204 1.00 0.00 C +ATOM 10 CA GLY A 10 222.731 266.983 278.682 1.00 0.00 C +ATOM 11 CA SER A 11 220.758 264.614 276.444 1.00 0.00 C +ATOM 12 CA GLU A 12 221.649 261.395 274.611 1.00 0.00 C +ATOM 13 CA ARG A 13 224.456 261.313 272.036 1.00 0.00 C +ATOM 14 CA ARG A 14 223.650 262.029 268.382 1.00 0.00 C +ATOM 15 CA VAL A 15 222.526 264.545 265.750 1.00 0.00 C +ATOM 16 CA PRO A 16 224.589 264.967 262.575 1.00 0.00 C +ATOM 17 CA TRP A 17 225.923 265.764 259.096 1.00 0.00 C +ATOM 18 CA ARG A 18 227.994 267.377 256.335 1.00 0.00 C +ATOM 19 CA GLY A 19 229.201 268.440 252.881 1.00 0.00 C +ATOM 20 CA GLU A 20 228.151 267.049 249.493 1.00 0.00 C +ATOM 21 CA SER A 21 225.901 263.985 249.746 1.00 0.00 C +ATOM 22 CA HIS A 22 224.569 260.416 249.808 1.00 0.00 C +ATOM 23 CA GLY A 23 223.238 257.790 252.227 1.00 0.00 C +ATOM 24 CA LEU A 24 224.408 254.176 251.932 1.00 0.00 C +ATOM 25 CA PRO A 25 225.741 252.971 248.572 1.00 0.00 C +ATOM 26 CA ALA A 26 227.272 250.442 246.169 1.00 0.00 C +ATOM 27 CA ALA A 27 230.457 248.631 247.214 1.00 0.00 C +ATOM 28 CA ALA A 28 232.570 248.391 244.052 1.00 0.00 C +ATOM 29 CA GLY A 29 232.681 250.079 240.638 1.00 0.00 C +ATOM 30 CA GLY A 30 229.898 252.149 239.060 1.00 0.00 C +ATOM 31 CA PRO A 31 231.398 255.566 238.292 1.00 0.00 C +ATOM 32 CA ALA A 32 232.204 258.746 240.229 1.00 0.00 C +ATOM 33 CA ALA A 33 230.912 261.313 242.730 1.00 0.00 C +ATOM 34 CA GLN A 34 227.405 260.419 243.922 1.00 0.00 C +ATOM 35 CA PRO A 35 223.936 258.921 243.434 1.00 0.00 C +ATOM 36 CA ALA A 36 223.521 258.598 239.660 1.00 0.00 C +ATOM 37 CA ALA A 37 226.046 259.697 237.027 1.00 0.00 C +ATOM 38 CA GLY A 38 227.716 261.558 234.152 1.00 0.00 C +ATOM 39 CA GLY A 39 230.611 263.597 232.747 1.00 0.00 C +ATOM 40 CA ALA A 40 230.014 265.888 229.762 1.00 0.00 C +ATOM 41 CA ALA A 41 230.829 268.143 226.801 1.00 0.00 C +ATOM 42 CA VAL A 42 234.440 269.239 226.279 1.00 0.00 C +ATOM 43 CA ARG A 43 237.851 270.791 226.971 1.00 0.00 C +ATOM 44 CA VAL A 44 240.493 268.048 226.902 1.00 0.00 C +ATOM 45 CA ALA A 45 243.722 269.245 228.533 1.00 0.00 C +ATOM 46 CA ALA A 46 246.882 267.214 227.901 1.00 0.00 C +ATOM 47 CA HIS A 47 249.669 265.778 230.067 1.00 0.00 C +ATOM 48 CA PRO A 48 250.445 263.417 232.955 1.00 0.00 C +ATOM 49 CA ALA A 49 251.143 259.875 234.173 1.00 0.00 C +ATOM 50 CA GLY A 50 251.893 256.988 236.543 1.00 0.00 C +ATOM 51 CA GLY A 51 252.474 253.721 238.415 1.00 0.00 C +ATOM 52 CA ALA A 52 254.284 252.191 241.398 1.00 0.00 C +ATOM 53 CA ALA A 53 257.957 253.172 241.138 1.00 0.00 C +ATOM 54 CA HIS A 54 258.812 256.873 240.849 1.00 0.00 C +ATOM 55 CA SER A 55 261.342 259.665 241.418 1.00 0.00 C +ATOM 56 CA LEU A 56 261.650 262.290 244.163 1.00 0.00 C +ATOM 57 CA ARG A 57 260.933 266.001 243.685 1.00 0.00 C +ATOM 58 CA ALA A 58 259.722 269.560 243.063 1.00 0.00 C +ATOM 59 CA ALA A 59 262.761 271.825 243.441 1.00 0.00 C +ATOM 60 CA THR A 60 265.994 269.819 243.645 1.00 0.00 C +ATOM 61 CA ALA A 61 268.443 268.679 240.959 1.00 0.00 C +ATOM 62 CA THR A 62 270.718 265.711 240.225 1.00 0.00 C +ATOM 63 CA ALA A 63 273.337 265.581 242.989 1.00 0.00 C +ATOM 64 CA ALA A 64 274.433 265.513 246.638 1.00 0.00 C +ATOM 65 CA ARG A 65 273.520 264.965 250.296 1.00 0.00 C +ATOM 66 CA PRO A 66 275.096 263.226 253.297 1.00 0.00 C +ATOM 67 CA ARG A 67 274.958 259.498 254.070 1.00 0.00 C +ATOM 68 CA CYS A 68 274.644 256.088 252.400 1.00 0.00 C +ATOM 69 CA SER A 69 276.167 256.288 248.913 1.00 0.00 C +ATOM 70 CA PRO A 70 276.770 256.676 245.171 1.00 0.00 C +ATOM 71 CA PRO A 71 280.441 257.392 244.441 1.00 0.00 C +ATOM 72 CA PRO A 72 281.738 259.312 247.465 1.00 0.00 C +ATOM 73 CA ALA A 73 284.757 258.403 249.605 1.00 0.00 C +ATOM 74 CA ARG A 74 284.505 258.338 253.406 1.00 0.00 C +ATOM 75 CA PRO A 75 286.093 259.878 256.508 1.00 0.00 C +ATOM 76 CA ARG A 76 289.243 261.996 256.834 1.00 0.00 C +ATOM 77 CA GLY A 77 292.775 262.706 258.073 1.00 0.00 C +ATOM 78 CA SER A 78 294.651 265.795 259.280 1.00 0.00 C +ATOM 79 CA ALA A 79 297.405 265.930 261.908 1.00 0.00 C +ATOM 80 CA ALA A 80 300.332 263.558 261.338 1.00 0.00 C +ATOM 81 CA ARG A 81 301.302 260.839 258.852 1.00 0.00 C +ATOM 82 CA CYS A 82 303.954 260.008 256.246 1.00 0.00 C +ATOM 83 CA PRO A 83 307.216 258.046 256.093 1.00 0.00 C +ATOM 84 CA ALA A 84 308.126 256.484 252.739 1.00 0.00 C +ATOM 85 CA SER A 85 307.639 252.714 252.987 1.00 0.00 C +ATOM 86 CA PRO A 86 304.490 251.489 254.749 1.00 0.00 C +ATOM 87 CA ARG A 87 301.074 250.296 253.558 1.00 0.00 C +ATOM 88 CA ARG A 88 298.556 252.921 252.425 1.00 0.00 C +ATOM 89 CA GLU A 89 296.107 254.653 254.773 1.00 0.00 C +ATOM 90 CA VAL A 90 292.675 255.171 256.346 1.00 0.00 C +ATOM 91 CA GLN A 91 292.680 254.825 260.140 1.00 0.00 C +ATOM 92 CA GLY A 92 289.239 254.427 261.727 1.00 0.00 C +ATOM 93 CA HIS A 93 287.546 257.603 262.977 1.00 0.00 C +ATOM 94 CA PHE A 94 288.787 258.583 266.443 1.00 0.00 C +ATOM 95 CA HIS A 95 292.171 257.117 267.399 1.00 0.00 C +ATOM 96 CA ARG A 96 292.185 254.329 269.996 1.00 0.00 C +ATOM 97 CA GLY A 97 289.519 251.778 270.945 1.00 0.00 C +ATOM 98 CA THR A 98 286.854 251.448 268.243 1.00 0.00 C +ATOM 99 CA PRO A 99 283.633 249.804 267.043 1.00 0.00 C +ATOM 100 CA PRO A 100 281.752 249.881 263.730 1.00 0.00 C +ATOM 101 CA TRP A 101 279.450 248.059 261.301 1.00 0.00 C +ATOM 102 CA ARG A 102 275.984 249.431 262.088 1.00 0.00 C +ATOM 103 CA PRO A 103 273.434 251.430 260.083 1.00 0.00 C +ATOM 104 CA GLY A 104 269.959 250.517 261.352 1.00 0.00 C +ATOM 105 CA PRO A 105 266.578 251.111 259.697 1.00 0.00 C +ATOM 106 CA SER A 106 263.967 249.522 257.424 1.00 0.00 C +ATOM 107 CA ARG A 107 260.661 250.349 255.720 1.00 0.00 C +ATOM 108 CA ALA A 108 258.905 251.957 252.746 1.00 0.00 C +ATOM 109 CA ALA A 109 255.404 252.605 251.388 1.00 0.00 C +ATOM 110 CA GLU A 110 252.362 254.736 250.540 1.00 0.00 C +ATOM 111 CA GLY A 111 249.388 255.944 248.487 1.00 0.00 C +ATOM 112 CA SER A 112 249.849 256.042 244.706 1.00 0.00 C +ATOM 113 CA GLY A 113 248.146 252.987 243.197 1.00 0.00 C +ATOM 114 CA ARG A 114 248.530 249.798 245.247 1.00 0.00 C +ATOM 115 CA GLN A 115 246.843 249.154 248.602 1.00 0.00 C +ATOM 116 CA SER A 116 248.045 247.374 251.749 1.00 0.00 C +ATOM 117 CA VAL A 117 246.426 243.931 251.534 1.00 0.00 C +ATOM 118 CA SER A 118 248.669 240.866 251.231 1.00 0.00 C +ATOM 119 CA THR A 119 247.644 237.489 249.796 1.00 0.00 C +ATOM 120 CA ASP A 120 244.987 234.837 250.446 1.00 0.00 C +ATOM 121 CA TRP A 121 241.260 235.451 249.950 1.00 0.00 C +ATOM 122 CA THR A 122 237.520 235.466 250.678 1.00 0.00 C +ATOM 123 CA LEU A 123 234.928 234.425 248.087 1.00 0.00 C +ATOM 124 CA PRO A 124 233.947 234.982 244.448 1.00 0.00 C +ATOM 125 CA GLY A 125 232.732 237.082 241.510 1.00 0.00 C +ATOM 126 CA ARG A 126 231.622 236.976 237.867 1.00 0.00 C +ATOM 127 CA GLY A 127 233.445 237.550 234.571 1.00 0.00 C +ATOM 128 CA HIS A 128 236.212 238.061 232.002 1.00 0.00 C +ATOM 129 CA VAL A 129 239.855 237.253 231.234 1.00 0.00 C +ATOM 130 CA PRO A 130 242.377 239.921 232.252 1.00 0.00 C +ATOM 131 CA VAL A 131 242.211 239.987 236.058 1.00 0.00 C +ATOM 132 CA PRO A 132 243.464 236.711 237.546 1.00 0.00 C +ATOM 133 CA SER A 133 241.655 233.358 237.494 1.00 0.00 C +ATOM 134 CA VAL A 134 240.257 231.590 234.423 1.00 0.00 C +ATOM 135 CA ILE A 135 238.412 229.174 232.125 1.00 0.00 C +ATOM 136 CA TYR A 136 235.017 227.678 232.992 1.00 0.00 C +ATOM 137 CA THR A 137 233.100 224.425 232.480 1.00 0.00 C +ATOM 138 CA ASP A 138 232.586 223.467 228.828 1.00 0.00 C +ATOM 139 CA LEU A 139 230.133 220.569 228.503 1.00 0.00 C +ATOM 140 CA SER A 140 228.098 218.664 225.907 1.00 0.00 C +ATOM 141 CA SER A 141 227.011 215.012 225.966 1.00 0.00 C +ATOM 142 CA HIS A 142 226.249 214.160 229.601 1.00 0.00 C +ATOM 143 CA GLU A 143 227.832 215.241 232.893 1.00 0.00 C +ATOM 144 CA SER A 144 230.794 217.382 233.969 1.00 0.00 C +ATOM 145 CA SER A 145 233.015 218.641 236.797 1.00 0.00 C +ATOM 146 CA PRO A 146 234.585 219.276 240.210 1.00 0.00 C +ATOM 147 CA GLY A 147 237.291 219.413 242.889 1.00 0.00 C +ATOM 148 CA ARG A 148 235.912 220.577 246.244 1.00 0.00 C +ATOM 149 CA TYR A 149 235.559 224.367 246.401 1.00 0.00 C +ATOM 150 CA ALA A 150 235.109 226.092 249.768 1.00 0.00 C +ATOM 151 CA ALA A 151 233.503 227.863 252.735 1.00 0.00 C +ATOM 152 CA SER A 152 230.196 229.261 254.009 1.00 0.00 C +ATOM 153 CA ASN A 153 229.809 228.568 257.735 1.00 0.00 C +ATOM 154 CA PRO A 154 230.610 225.680 260.087 1.00 0.00 C +ATOM 155 CA ASN A 155 229.882 223.075 262.771 1.00 0.00 C +ATOM 156 CA SER A 156 229.619 219.735 260.957 1.00 0.00 C +ATOM 157 CA ASP A 157 228.509 217.242 263.616 1.00 0.00 C +ATOM 158 CA CYS A 158 231.267 215.058 265.078 1.00 0.00 C +ATOM 159 CA PRO A 159 233.589 213.103 262.775 1.00 0.00 C +ATOM 160 CA THR A 160 237.153 214.414 263.091 1.00 0.00 C +ATOM 161 CA ASP A 161 240.024 212.741 261.228 1.00 0.00 C +ATOM 162 CA ALA A 162 239.969 210.678 258.025 1.00 0.00 C +TER 163 ALA A 162 +END diff --git a/Mammals/Q3UME3/Q3UME3.dcd b/Mammals/Q3UME3/Q3UME3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a2928dbb34873d9900b09fd363fd3c3985b46139 --- /dev/null +++ b/Mammals/Q3UME3/Q3UME3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:06a82f0371de2f7d5cc997af3fbe8f64b754c0f96c856e89182960ee90e78ab4 +size 16280276 diff --git a/Mammals/Q3UME3/top.pdb b/Mammals/Q3UME3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9db0ab275bf5ebece7b4171f24f7b44e5ebc9329 --- /dev/null +++ b/Mammals/Q3UME3/top.pdb @@ -0,0 +1,133 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLY A 1 278.244 257.764 241.187 1.00 0.00 C +ATOM 2 CA PRO A 2 277.704 258.571 237.503 1.00 0.00 C +ATOM 3 CA GLU A 3 276.302 256.917 234.370 1.00 0.00 C +ATOM 4 CA ALA A 4 277.585 253.543 233.152 1.00 0.00 C +ATOM 5 CA GLN A 5 275.234 250.585 232.666 1.00 0.00 C +ATOM 6 CA ALA A 6 274.729 247.291 230.819 1.00 0.00 C +ATOM 7 CA HIS A 7 274.203 246.654 227.100 1.00 0.00 C +ATOM 8 CA SER A 8 272.614 247.339 223.705 1.00 0.00 C +ATOM 9 CA THR A 9 269.049 247.084 222.385 1.00 0.00 C +ATOM 10 CA ALA A 10 265.399 246.014 222.158 1.00 0.00 C +ATOM 11 CA SER A 11 261.786 244.935 221.611 1.00 0.00 C +ATOM 12 CA GLN A 12 258.245 245.357 220.271 1.00 0.00 C +ATOM 13 CA PRO A 13 258.221 244.813 216.500 1.00 0.00 C +ATOM 14 CA PRO A 14 257.464 241.929 214.128 1.00 0.00 C +ATOM 15 CA PRO A 15 257.560 238.290 215.253 1.00 0.00 C +ATOM 16 CA PRO A 16 258.139 235.543 212.677 1.00 0.00 C +ATOM 17 CA ARG A 17 256.044 232.525 211.666 1.00 0.00 C +ATOM 18 CA GLY A 18 254.066 231.539 208.563 1.00 0.00 C +ATOM 19 CA ARG A 19 251.343 228.989 209.336 1.00 0.00 C +ATOM 20 CA SER A 20 249.234 228.503 206.200 1.00 0.00 C +ATOM 21 CA ARG A 21 246.797 226.372 204.192 1.00 0.00 C +ATOM 22 CA GLU A 22 245.113 223.368 205.822 1.00 0.00 C +ATOM 23 CA ARG A 23 247.004 220.253 206.933 1.00 0.00 C +ATOM 24 CA THR A 24 245.625 217.464 209.132 1.00 0.00 C +ATOM 25 CA PRO A 25 243.294 215.594 211.495 1.00 0.00 C +ATOM 26 CA ARG A 26 243.640 211.807 211.264 1.00 0.00 C +ATOM 27 CA ARG A 27 246.286 209.193 210.438 1.00 0.00 C +ATOM 28 CA LEU A 28 249.149 207.425 212.225 1.00 0.00 C +ATOM 29 CA LEU A 29 252.554 205.837 211.589 1.00 0.00 C +ATOM 30 CA ASN A 30 253.042 204.219 208.174 1.00 0.00 C +ATOM 31 CA ALA A 31 250.793 201.148 208.009 1.00 0.00 C +ATOM 32 CA PRO A 32 249.371 197.639 208.432 1.00 0.00 C +ATOM 33 CA THR A 33 247.210 197.715 211.569 1.00 0.00 C +ATOM 34 CA TRP A 34 246.594 198.216 215.296 1.00 0.00 C +ATOM 35 CA SER A 35 248.596 200.631 217.458 1.00 0.00 C +ATOM 36 CA ARG A 36 250.186 200.708 220.920 1.00 0.00 C +ATOM 37 CA THR A 37 247.653 202.176 223.358 1.00 0.00 C +ATOM 38 CA GLY A 38 245.769 205.137 224.840 1.00 0.00 C +ATOM 39 CA GLY A 39 243.398 206.794 222.361 1.00 0.00 C +ATOM 40 CA ARG A 40 244.348 206.200 218.719 1.00 0.00 C +ATOM 41 CA GLU A 41 242.583 207.878 215.790 1.00 0.00 C +ATOM 42 CA GLN A 42 239.978 210.291 217.171 1.00 0.00 C +ATOM 43 CA LEU A 43 236.401 211.299 218.009 1.00 0.00 C +ATOM 44 CA PRO A 44 233.639 210.790 220.584 1.00 0.00 C +ATOM 45 CA HIS A 45 233.845 212.813 223.806 1.00 0.00 C +ATOM 46 CA GLY A 46 234.262 211.264 227.262 1.00 0.00 C +ATOM 47 CA ALA A 47 233.749 213.695 230.151 1.00 0.00 C +ATOM 48 CA GLY A 48 233.130 212.981 233.842 1.00 0.00 C +ATOM 49 CA VAL A 49 236.010 212.123 236.185 1.00 0.00 C +ATOM 50 CA SER A 50 238.590 210.694 238.597 1.00 0.00 C +ATOM 51 CA GLU A 51 237.122 210.396 242.100 1.00 0.00 C +ATOM 52 CA PRO A 52 237.811 213.690 243.888 1.00 0.00 C +ATOM 53 CA ARG A 53 238.312 216.447 246.469 1.00 0.00 C +ATOM 54 CA ASP A 54 239.873 215.557 249.830 1.00 0.00 C +ATOM 55 CA VAL A 55 242.216 216.742 252.590 1.00 0.00 C +ATOM 56 CA ARG A 56 244.512 214.351 254.468 1.00 0.00 C +ATOM 57 CA ARG A 57 248.069 214.145 253.118 1.00 0.00 C +ATOM 58 CA GLN A 58 250.551 215.977 250.882 1.00 0.00 C +ATOM 59 CA PRO A 59 249.361 219.442 249.836 1.00 0.00 C +ATOM 60 CA GLN A 60 246.817 222.165 249.044 1.00 0.00 C +ATOM 61 CA LEU A 61 244.866 223.490 252.036 1.00 0.00 C +ATOM 62 CA PRO A 62 243.688 225.622 254.966 1.00 0.00 C +ATOM 63 CA SER A 63 242.566 228.931 256.485 1.00 0.00 C +ATOM 64 CA LEU A 64 244.178 229.109 259.932 1.00 0.00 C +ATOM 65 CA ARG A 65 245.309 232.634 260.832 1.00 0.00 C +ATOM 66 CA GLY A 66 245.602 236.432 260.939 1.00 0.00 C +ATOM 67 CA HIS A 67 243.823 239.428 262.481 1.00 0.00 C +ATOM 68 CA ARG A 68 242.446 241.370 265.455 1.00 0.00 C +ATOM 69 CA ALA A 69 239.526 242.033 267.811 1.00 0.00 C +ATOM 70 CA ALA A 70 240.732 242.632 271.375 1.00 0.00 C +ATOM 71 CA PRO A 71 243.312 243.440 274.060 1.00 0.00 C +ATOM 72 CA ALA A 72 245.070 244.912 277.103 1.00 0.00 C +ATOM 73 CA ARG A 73 247.035 247.900 278.416 1.00 0.00 C +ATOM 74 CA ALA A 74 247.858 251.484 277.417 1.00 0.00 C +ATOM 75 CA PRO A 75 248.912 255.017 278.376 1.00 0.00 C +ATOM 76 CA GLY A 76 248.231 258.693 279.111 1.00 0.00 C +ATOM 77 CA ARG A 77 246.916 259.307 282.633 1.00 0.00 C +ATOM 78 CA ALA A 78 244.173 261.082 284.594 1.00 0.00 C +ATOM 79 CA ARG A 79 241.492 261.883 287.179 1.00 0.00 C +ATOM 80 CA SER A 80 238.162 263.724 286.979 1.00 0.00 C +ATOM 81 CA GLN A 81 235.326 261.207 286.617 1.00 0.00 C +ATOM 82 CA ASP A 82 234.644 260.605 282.917 1.00 0.00 C +ATOM 83 CA SER A 83 235.415 262.870 279.951 1.00 0.00 C +ATOM 84 CA ASP A 84 238.326 265.321 280.153 1.00 0.00 C +ATOM 85 CA LYS A 85 240.724 267.798 281.774 1.00 0.00 C +ATOM 86 CA PHE A 86 244.039 267.213 279.991 1.00 0.00 C +ATOM 87 CA PHE A 87 247.624 267.684 281.193 1.00 0.00 C +ATOM 88 CA GLY A 88 250.090 268.377 278.372 1.00 0.00 C +ATOM 89 CA LYS A 89 248.573 267.651 274.954 1.00 0.00 C +ATOM 90 CA ALA A 90 245.713 269.895 273.813 1.00 0.00 C +ATOM 91 CA GLY A 91 244.881 272.576 276.389 1.00 0.00 C +ATOM 92 CA THR A 92 243.384 275.581 274.589 1.00 0.00 C +ATOM 93 CA GLY A 93 241.395 277.749 272.169 1.00 0.00 C +ATOM 94 CA GLN A 94 240.876 281.456 271.459 1.00 0.00 C +ATOM 95 CA SER A 95 243.566 283.128 269.341 1.00 0.00 C +ATOM 96 CA ALA A 96 245.545 283.342 266.092 1.00 0.00 C +ATOM 97 CA PRO A 97 246.827 285.654 263.349 1.00 0.00 C +ATOM 98 CA LEU A 98 247.684 287.221 259.984 1.00 0.00 C +ATOM 99 CA THR A 99 250.965 287.276 258.047 1.00 0.00 C +ATOM 100 CA GLY A 100 254.142 285.176 257.975 1.00 0.00 C +ATOM 101 CA ALA A 101 257.115 287.239 259.168 1.00 0.00 C +ATOM 102 CA PRO A 102 258.179 290.066 261.491 1.00 0.00 C +ATOM 103 CA PRO A 103 260.922 292.333 262.851 1.00 0.00 C +ATOM 104 CA SER A 104 262.527 293.086 266.224 1.00 0.00 C +ATOM 105 CA ALA A 105 260.073 292.305 269.031 1.00 0.00 C +ATOM 106 CA GLU A 106 260.902 290.482 272.273 1.00 0.00 C +ATOM 107 CA ASP A 107 261.843 289.964 275.928 1.00 0.00 C +ATOM 108 CA ALA A 108 264.708 289.134 278.298 1.00 0.00 C +ATOM 109 CA ALA A 109 263.613 287.464 281.543 1.00 0.00 C +ATOM 110 CA VAL A 110 262.140 287.509 285.056 1.00 0.00 C +ATOM 111 CA GLN A 111 258.372 288.074 285.060 1.00 0.00 C +ATOM 112 CA ARG A 112 254.616 288.663 284.805 1.00 0.00 C +ATOM 113 CA GLY A 113 252.509 291.707 285.704 1.00 0.00 C +ATOM 114 CA LYS A 114 250.170 294.651 286.319 1.00 0.00 C +ATOM 115 CA ARG A 115 251.201 298.318 286.413 1.00 0.00 C +ATOM 116 CA PRO A 116 251.855 301.643 284.671 1.00 0.00 C +ATOM 117 CA GLY A 117 250.198 304.540 282.832 1.00 0.00 C +ATOM 118 CA ARG A 118 250.016 307.157 280.070 1.00 0.00 C +ATOM 119 CA ASN A 119 253.183 306.574 278.034 1.00 0.00 C +ATOM 120 CA VAL A 120 252.528 304.320 275.034 1.00 0.00 C +ATOM 121 CA MET A 121 253.012 300.816 273.617 1.00 0.00 C +ATOM 122 CA ASP A 122 251.894 298.261 271.021 1.00 0.00 C +ATOM 123 CA ARG A 123 252.041 297.606 267.271 1.00 0.00 C +ATOM 124 CA THR A 124 255.378 296.303 265.975 1.00 0.00 C +ATOM 125 CA ARG A 125 257.108 299.095 264.044 1.00 0.00 C +ATOM 126 CA ARG A 126 256.179 298.541 260.391 1.00 0.00 C +ATOM 127 CA PHE A 127 257.917 297.579 257.139 1.00 0.00 C +ATOM 128 CA ASN A 128 260.522 297.942 254.383 1.00 0.00 C +ATOM 129 CA GLN A 129 259.225 296.905 250.953 1.00 0.00 C +TER 130 GLN A 129 +END diff --git a/Mammals/Q3UPP4/Q3UPP4.dcd b/Mammals/Q3UPP4/Q3UPP4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..070bcf5d71fb6ef7f90c570e6ad2cd3f03b2e811 --- /dev/null +++ b/Mammals/Q3UPP4/Q3UPP4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1307beaed437aed67bce8d64e9bcf91197067721be096d308c74fe92f1c18531 +size 9200276 diff --git a/Mammals/Q3UPP4/top.pdb b/Mammals/Q3UPP4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..982abcb0eb3ea7279c244c3bfb75c102b2df0768 --- /dev/null +++ b/Mammals/Q3UPP4/top.pdb @@ -0,0 +1,74 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 238.414 261.476 249.587 1.00 0.00 C +ATOM 2 CA ALA A 2 236.809 260.045 252.732 1.00 0.00 C +ATOM 3 CA PRO A 3 236.601 260.808 256.459 1.00 0.00 C +ATOM 4 CA ARG A 4 236.744 257.930 258.952 1.00 0.00 C +ATOM 5 CA CYS A 5 237.773 254.267 258.758 1.00 0.00 C +ATOM 6 CA HIS A 6 236.841 252.257 261.858 1.00 0.00 C +ATOM 7 CA PRO A 7 239.093 249.489 263.192 1.00 0.00 C +ATOM 8 CA ARG A 8 240.452 246.333 261.546 1.00 0.00 C +ATOM 9 CA GLN A 9 244.151 247.007 260.930 1.00 0.00 C +ATOM 10 CA GLY A 10 245.453 245.634 257.623 1.00 0.00 C +ATOM 11 CA PRO A 11 243.009 244.277 255.034 1.00 0.00 C +ATOM 12 CA LEU A 12 243.047 242.681 251.575 1.00 0.00 C +ATOM 13 CA THR A 13 245.447 243.224 248.665 1.00 0.00 C +ATOM 14 CA GLY A 14 244.614 243.255 244.948 1.00 0.00 C +ATOM 15 CA PRO A 15 243.043 239.863 244.214 1.00 0.00 C +ATOM 16 CA SER A 16 243.469 236.078 244.115 1.00 0.00 C +ATOM 17 CA CYS A 17 247.242 235.548 244.124 1.00 0.00 C +ATOM 18 CA HIS A 18 249.210 233.327 246.514 1.00 0.00 C +ATOM 19 CA ASP A 19 250.280 230.190 244.634 1.00 0.00 C +ATOM 20 CA HIS A 20 250.529 230.225 240.832 1.00 0.00 C +ATOM 21 CA LEU A 21 253.147 230.877 238.142 1.00 0.00 C +ATOM 22 CA CYS A 22 251.197 231.747 234.987 1.00 0.00 C +ATOM 23 CA GLU A 23 249.305 234.899 233.987 1.00 0.00 C +ATOM 24 CA ALA A 24 245.940 236.088 235.320 1.00 0.00 C +ATOM 25 CA GLY A 25 244.734 239.621 234.559 1.00 0.00 C +ATOM 26 CA SER A 26 242.193 240.621 237.217 1.00 0.00 C +ATOM 27 CA GLN A 27 238.769 242.210 236.700 1.00 0.00 C +ATOM 28 CA ARG A 28 236.387 244.015 234.337 1.00 0.00 C +ATOM 29 CA GLY A 29 236.764 243.049 230.671 1.00 0.00 C +ATOM 30 CA HIS A 30 239.868 243.947 228.652 1.00 0.00 C +ATOM 31 CA PRO A 31 242.115 243.016 225.720 1.00 0.00 C +ATOM 32 CA GLU A 32 242.732 239.297 225.164 1.00 0.00 C +ATOM 33 CA ARG A 33 246.190 238.496 223.780 1.00 0.00 C +ATOM 34 CA GLY A 34 249.667 240.008 224.158 1.00 0.00 C +ATOM 35 CA ALA A 35 251.931 239.300 221.176 1.00 0.00 C +ATOM 36 CA ALA A 36 254.152 242.372 220.794 1.00 0.00 C +ATOM 37 CA LEU A 37 254.804 245.692 222.546 1.00 0.00 C +ATOM 38 CA ARG A 38 255.724 248.402 225.061 1.00 0.00 C +ATOM 39 CA PRO A 39 256.168 251.004 227.808 1.00 0.00 C +ATOM 40 CA ALA A 40 257.295 249.480 231.113 1.00 0.00 C +ATOM 41 CA TRP A 41 257.214 245.820 232.170 1.00 0.00 C +ATOM 42 CA ARG A 42 253.913 244.611 233.637 1.00 0.00 C +ATOM 43 CA ASP A 43 253.894 242.232 236.614 1.00 0.00 C +ATOM 44 CA GLY A 44 251.613 243.646 239.318 1.00 0.00 C +ATOM 45 CA SER A 45 251.431 243.270 243.105 1.00 0.00 C +ATOM 46 CA CYS A 46 253.710 244.013 246.066 1.00 0.00 C +ATOM 47 CA ALA A 47 256.951 243.166 247.882 1.00 0.00 C +ATOM 48 CA SER A 48 260.131 243.853 245.898 1.00 0.00 C +ATOM 49 CA GLN A 49 261.657 246.900 247.604 1.00 0.00 C +ATOM 50 CA PRO A 50 261.768 250.676 248.099 1.00 0.00 C +ATOM 51 CA ILE A 51 259.105 253.300 248.830 1.00 0.00 C +ATOM 52 CA ARG A 52 258.837 256.977 249.792 1.00 0.00 C +ATOM 53 CA GLU A 53 259.537 259.664 252.401 1.00 0.00 C +ATOM 54 CA PRO A 54 256.780 262.043 253.520 1.00 0.00 C +ATOM 55 CA SER A 55 256.324 265.696 254.500 1.00 0.00 C +ATOM 56 CA GLU A 56 257.986 267.345 257.505 1.00 0.00 C +ATOM 57 CA GLN A 57 258.939 269.919 260.148 1.00 0.00 C +ATOM 58 CA LEU A 58 258.649 271.249 263.707 1.00 0.00 C +ATOM 59 CA ASP A 59 259.234 268.776 266.545 1.00 0.00 C +ATOM 60 CA THR A 60 258.837 269.208 270.310 1.00 0.00 C +ATOM 61 CA PRO A 61 257.145 266.625 272.541 1.00 0.00 C +ATOM 62 CA LEU A 62 258.207 265.097 275.866 1.00 0.00 C +ATOM 63 CA PRO A 63 255.917 265.158 278.911 1.00 0.00 C +ATOM 64 CA THR A 64 255.480 263.610 282.365 1.00 0.00 C +ATOM 65 CA LYS A 65 253.830 264.810 285.583 1.00 0.00 C +ATOM 66 CA SER A 66 255.063 267.334 288.156 1.00 0.00 C +ATOM 67 CA LEU A 67 253.696 266.998 291.697 1.00 0.00 C +ATOM 68 CA PRO A 68 252.523 267.216 295.315 1.00 0.00 C +ATOM 69 CA THR A 69 254.750 269.566 297.324 1.00 0.00 C +ATOM 70 CA PRO A 70 255.575 273.170 296.405 1.00 0.00 C +TER 71 PRO A 70 +END diff --git a/Mammals/Q3UPY1/Q3UPY1.dcd b/Mammals/Q3UPY1/Q3UPY1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..bc079be2538cdc94e2fef5e6aeea28f3524a2da5 --- /dev/null +++ b/Mammals/Q3UPY1/Q3UPY1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5fcc5bf6fb7c80c13540c43165a22fddc9e5bf8bbb153c36512c837bc5f610cc +size 18200276 diff --git a/Mammals/Q3UPY1/top.pdb b/Mammals/Q3UPY1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3f2e150f3df95c47ff2a6f12f8703eaed8fc5ae6 --- /dev/null +++ b/Mammals/Q3UPY1/top.pdb @@ -0,0 +1,149 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 326.823 273.522 252.182 1.00 0.00 C +ATOM 2 CA VAL A 2 327.234 275.164 255.596 1.00 0.00 C +ATOM 3 CA LEU A 3 328.598 276.727 258.791 1.00 0.00 C +ATOM 4 CA VAL A 4 327.201 280.048 260.033 1.00 0.00 C +ATOM 5 CA ALA A 5 323.660 281.429 260.285 1.00 0.00 C +ATOM 6 CA ALA A 6 320.453 282.819 258.769 1.00 0.00 C +ATOM 7 CA GLY A 7 316.785 282.550 259.765 1.00 0.00 C +ATOM 8 CA SER A 8 314.224 279.735 259.945 1.00 0.00 C +ATOM 9 CA ARG A 9 314.535 276.151 261.200 1.00 0.00 C +ATOM 10 CA THR A 10 314.964 274.334 264.521 1.00 0.00 C +ATOM 11 CA LYS A 11 315.306 272.599 267.896 1.00 0.00 C +ATOM 12 CA ARG A 12 311.864 271.615 269.198 1.00 0.00 C +ATOM 13 CA PRO A 13 308.737 270.322 270.950 1.00 0.00 C +ATOM 14 CA ALA A 14 306.550 267.351 269.998 1.00 0.00 C +ATOM 15 CA HIS A 15 303.131 267.603 271.662 1.00 0.00 C +ATOM 16 CA TRP A 16 303.574 266.390 275.246 1.00 0.00 C +ATOM 17 CA ARG A 17 302.067 263.868 277.672 1.00 0.00 C +ATOM 18 CA ALA A 18 303.591 260.765 279.273 1.00 0.00 C +ATOM 19 CA LEU A 19 303.612 257.168 280.529 1.00 0.00 C +ATOM 20 CA PRO A 20 304.431 253.747 281.993 1.00 0.00 C +ATOM 21 CA GLY A 21 305.365 250.650 279.981 1.00 0.00 C +ATOM 22 CA THR A 22 304.504 249.446 276.470 1.00 0.00 C +ATOM 23 CA ARG A 23 306.613 247.411 274.035 1.00 0.00 C +ATOM 24 CA ALA A 24 305.072 244.589 271.991 1.00 0.00 C +ATOM 25 CA PRO A 25 301.845 244.148 270.015 1.00 0.00 C +ATOM 26 CA SER A 26 299.805 247.214 269.035 1.00 0.00 C +ATOM 27 CA ARG A 27 300.377 250.916 269.733 1.00 0.00 C +ATOM 28 CA PRO A 28 297.493 253.122 270.886 1.00 0.00 C +ATOM 29 CA TRP A 29 298.373 256.167 273.000 1.00 0.00 C +ATOM 30 CA VAL A 30 298.656 259.358 275.063 1.00 0.00 C +ATOM 31 CA ARG A 31 296.155 259.060 277.922 1.00 0.00 C +ATOM 32 CA GLY A 32 293.536 256.557 276.740 1.00 0.00 C +ATOM 33 CA ARG A 33 290.970 255.477 279.341 1.00 0.00 C +ATOM 34 CA ASP A 34 287.923 257.746 279.054 1.00 0.00 C +ATOM 35 CA GLY A 35 288.315 260.957 281.068 1.00 0.00 C +ATOM 36 CA LEU A 36 287.270 264.541 281.827 1.00 0.00 C +ATOM 37 CA GLN A 37 287.521 266.266 285.215 1.00 0.00 C +ATOM 38 CA GLN A 38 284.542 266.080 287.583 1.00 0.00 C +ATOM 39 CA ALA A 39 283.977 262.780 289.403 1.00 0.00 C +ATOM 40 CA ALA A 40 282.922 259.276 290.461 1.00 0.00 C +ATOM 41 CA ALA A 41 283.660 255.624 291.261 1.00 0.00 C +ATOM 42 CA ARG A 42 282.536 253.410 288.372 1.00 0.00 C +ATOM 43 CA GLY A 43 280.558 252.497 285.246 1.00 0.00 C +ATOM 44 CA SER A 44 278.667 251.195 282.206 1.00 0.00 C +ATOM 45 CA ARG A 45 276.339 248.981 280.157 1.00 0.00 C +ATOM 46 CA PRO A 46 274.686 250.293 276.985 1.00 0.00 C +ATOM 47 CA ALA A 47 274.840 253.648 275.186 1.00 0.00 C +ATOM 48 CA THR A 48 272.686 255.616 272.736 1.00 0.00 C +ATOM 49 CA LYS A 49 269.072 254.414 272.810 1.00 0.00 C +ATOM 50 CA THR A 50 268.781 251.098 274.664 1.00 0.00 C +ATOM 51 CA GLN A 51 266.409 248.154 274.195 1.00 0.00 C +ATOM 52 CA ARG A 52 264.803 247.639 270.778 1.00 0.00 C +ATOM 53 CA ALA A 53 261.880 247.101 268.395 1.00 0.00 C +ATOM 54 CA ALA A 54 259.076 249.502 269.335 1.00 0.00 C +ATOM 55 CA GLY A 55 255.678 250.070 267.707 1.00 0.00 C +ATOM 56 CA ASN A 56 255.637 249.960 263.899 1.00 0.00 C +ATOM 57 CA ASP A 57 258.067 249.671 260.979 1.00 0.00 C +ATOM 58 CA ASP A 58 258.964 246.143 259.853 1.00 0.00 C +ATOM 59 CA GLY A 59 262.447 244.653 260.259 1.00 0.00 C +ATOM 60 CA ASP A 60 262.083 241.018 259.177 1.00 0.00 C +ATOM 61 CA ARG A 61 258.491 239.749 259.113 1.00 0.00 C +ATOM 62 CA ASP A 62 255.033 240.854 260.269 1.00 0.00 C +ATOM 63 CA PRO A 63 251.386 240.971 261.367 1.00 0.00 C +ATOM 64 CA ALA A 64 247.995 242.054 260.009 1.00 0.00 C +ATOM 65 CA SER A 65 246.410 239.953 257.255 1.00 0.00 C +ATOM 66 CA SER A 66 245.124 241.481 254.010 1.00 0.00 C +ATOM 67 CA ILE A 67 243.415 242.764 250.856 1.00 0.00 C +ATOM 68 CA LEU A 68 242.389 246.189 249.539 1.00 0.00 C +ATOM 69 CA PRO A 69 240.762 249.634 249.499 1.00 0.00 C +ATOM 70 CA THR A 70 237.938 251.946 250.590 1.00 0.00 C +ATOM 71 CA ALA A 71 235.626 254.952 250.966 1.00 0.00 C +ATOM 72 CA PRO A 72 236.123 257.153 254.036 1.00 0.00 C +ATOM 73 CA ARG A 73 239.338 257.937 255.925 1.00 0.00 C +ATOM 74 CA SER A 74 241.214 257.907 259.241 1.00 0.00 C +ATOM 75 CA PRO A 75 244.914 257.257 259.876 1.00 0.00 C +ATOM 76 CA SER A 76 247.793 254.819 259.343 1.00 0.00 C +ATOM 77 CA ALA A 77 250.079 252.140 260.797 1.00 0.00 C +ATOM 78 CA GLN A 78 248.474 248.686 260.889 1.00 0.00 C +ATOM 79 CA PRO A 79 245.113 248.037 259.217 1.00 0.00 C +ATOM 80 CA ARG A 80 241.487 247.219 258.380 1.00 0.00 C +ATOM 81 CA SER A 81 238.778 245.506 256.320 1.00 0.00 C +ATOM 82 CA PRO A 82 236.673 242.626 257.657 1.00 0.00 C +ATOM 83 CA ALA A 83 233.608 240.619 256.608 1.00 0.00 C +ATOM 84 CA LEU A 84 231.472 239.645 253.607 1.00 0.00 C +ATOM 85 CA PRO A 85 228.529 237.330 252.905 1.00 0.00 C +ATOM 86 CA THR A 86 228.955 234.378 250.534 1.00 0.00 C +ATOM 87 CA ALA A 87 226.031 232.310 249.233 1.00 0.00 C +ATOM 88 CA GLY A 88 223.603 229.484 250.024 1.00 0.00 C +ATOM 89 CA ARG A 89 225.073 226.019 250.611 1.00 0.00 C +ATOM 90 CA ALA A 90 224.771 223.772 247.549 1.00 0.00 C +ATOM 91 CA SER A 91 224.952 226.081 244.525 1.00 0.00 C +ATOM 92 CA VAL A 92 224.037 224.068 241.422 1.00 0.00 C +ATOM 93 CA GLY A 93 223.492 221.993 238.274 1.00 0.00 C +ATOM 94 CA ALA A 94 219.934 221.741 236.936 1.00 0.00 C +ATOM 95 CA ARG A 95 217.350 221.627 239.734 1.00 0.00 C +ATOM 96 CA SER A 96 213.745 222.859 239.812 1.00 0.00 C +ATOM 97 CA GLN A 97 212.868 223.546 236.168 1.00 0.00 C +ATOM 98 CA GLY A 98 214.605 226.799 235.209 1.00 0.00 C +ATOM 99 CA ALA A 99 213.829 230.081 236.981 1.00 0.00 C +ATOM 100 CA ALA A 100 210.063 230.493 237.385 1.00 0.00 C +ATOM 101 CA VAL A 101 207.496 229.830 240.121 1.00 0.00 C +ATOM 102 CA PHE A 102 203.696 230.023 239.930 1.00 0.00 C +ATOM 103 CA LYS A 103 202.940 232.945 237.605 1.00 0.00 C +ATOM 104 CA GLY A 104 202.581 234.891 234.349 1.00 0.00 C +ATOM 105 CA GLU A 105 201.839 236.769 231.117 1.00 0.00 C +ATOM 106 CA LEU A 106 203.106 238.471 227.953 1.00 0.00 C +ATOM 107 CA VAL A 107 203.295 241.961 226.435 1.00 0.00 C +ATOM 108 CA ARG A 108 203.500 244.318 229.421 1.00 0.00 C +ATOM 109 CA GLU A 109 204.923 244.604 232.943 1.00 0.00 C +ATOM 110 CA SER A 110 205.234 241.134 234.485 1.00 0.00 C +ATOM 111 CA GLU A 111 208.748 239.676 234.684 1.00 0.00 C +ATOM 112 CA PRO A 112 211.881 241.687 233.874 1.00 0.00 C +ATOM 113 CA PRO A 113 215.620 242.315 233.495 1.00 0.00 C +ATOM 114 CA GLY A 114 219.097 242.519 231.951 1.00 0.00 C +ATOM 115 CA ARG A 115 221.870 245.131 231.878 1.00 0.00 C +ATOM 116 CA ARG A 116 221.405 247.576 234.763 1.00 0.00 C +ATOM 117 CA ASP A 117 218.906 250.230 235.872 1.00 0.00 C +ATOM 118 CA HIS A 118 215.880 250.280 238.186 1.00 0.00 C +ATOM 119 CA GLN A 119 213.221 247.647 237.470 1.00 0.00 C +ATOM 120 CA LEU A 120 209.951 247.570 235.517 1.00 0.00 C +ATOM 121 CA PRO A 121 210.371 248.732 231.913 1.00 0.00 C +ATOM 122 CA SER A 122 210.407 252.025 229.996 1.00 0.00 C +ATOM 123 CA PRO A 123 212.674 255.061 229.602 1.00 0.00 C +ATOM 124 CA ARG A 124 213.434 255.626 225.911 1.00 0.00 C +ATOM 125 CA SER A 125 212.446 254.998 222.286 1.00 0.00 C +ATOM 126 CA PRO A 126 210.503 257.200 219.859 1.00 0.00 C +ATOM 127 CA LEU A 127 207.525 259.087 218.413 1.00 0.00 C +ATOM 128 CA VAL A 128 204.033 259.862 217.101 1.00 0.00 C +ATOM 129 CA ASP A 129 202.123 258.048 214.348 1.00 0.00 C +ATOM 130 CA THR A 130 203.389 258.609 210.799 1.00 0.00 C +ATOM 131 CA ALA A 131 204.492 256.235 208.031 1.00 0.00 C +ATOM 132 CA ARG A 132 205.998 254.658 204.907 1.00 0.00 C +ATOM 133 CA ARG A 133 205.201 251.171 203.596 1.00 0.00 C +ATOM 134 CA GLY A 134 202.589 248.426 203.196 1.00 0.00 C +ATOM 135 CA ASN A 135 200.216 245.529 203.898 1.00 0.00 C +ATOM 136 CA GLU A 136 197.077 245.917 201.774 1.00 0.00 C +ATOM 137 CA LEU A 137 195.450 244.560 198.608 1.00 0.00 C +ATOM 138 CA GLU A 138 196.446 246.553 195.517 1.00 0.00 C +ATOM 139 CA GLY A 139 198.723 249.555 196.083 1.00 0.00 C +ATOM 140 CA ARG A 140 202.421 248.803 196.607 1.00 0.00 C +ATOM 141 CA SER A 141 204.763 250.247 193.972 1.00 0.00 C +ATOM 142 CA ARG A 142 208.424 250.227 192.919 1.00 0.00 C +ATOM 143 CA ARG A 143 209.148 251.134 189.289 1.00 0.00 C +ATOM 144 CA TRP A 144 209.790 250.723 185.557 1.00 0.00 C +ATOM 145 CA GLU A 145 210.251 248.400 182.572 1.00 0.00 C +TER 146 GLU A 145 +END diff --git a/Mammals/Q3UQR9/Q3UQR9.dcd b/Mammals/Q3UQR9/Q3UQR9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c4fdf4efbec2102c00cee3aa77d2f277692aebb8 --- /dev/null +++ b/Mammals/Q3UQR9/Q3UQR9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cb7ba9a98fa5a755dc59fc8da3c30294151af155016beb324f40d075534e3a4b +size 19760276 diff --git a/Mammals/Q3UQR9/top.pdb b/Mammals/Q3UQR9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..44fe69bef0c14d7f4ae0671013b8ceea8dd1a011 --- /dev/null +++ b/Mammals/Q3UQR9/top.pdb @@ -0,0 +1,162 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA HIS A 1 269.090 266.473 199.002 1.00 0.00 C +ATOM 2 CA ARG A 2 270.299 262.864 199.183 1.00 0.00 C +ATOM 3 CA GLY A 3 273.135 262.882 201.727 1.00 0.00 C +ATOM 4 CA GLY A 4 276.740 263.191 202.918 1.00 0.00 C +ATOM 5 CA ARG A 5 279.810 261.294 201.694 1.00 0.00 C +ATOM 6 CA ASP A 6 282.813 260.162 203.747 1.00 0.00 C +ATOM 7 CA ARG A 7 285.433 261.964 205.846 1.00 0.00 C +ATOM 8 CA CYS A 8 286.920 265.455 206.188 1.00 0.00 C +ATOM 9 CA SER A 9 290.063 266.962 207.726 1.00 0.00 C +ATOM 10 CA SER A 10 293.097 265.257 209.277 1.00 0.00 C +ATOM 11 CA GLY A 11 292.908 262.020 211.278 1.00 0.00 C +ATOM 12 CA ARG A 12 291.164 258.722 212.052 1.00 0.00 C +ATOM 13 CA ARG A 13 287.416 259.361 212.287 1.00 0.00 C +ATOM 14 CA SER A 14 284.199 259.099 214.313 1.00 0.00 C +ATOM 15 CA VAL A 15 285.105 258.687 217.991 1.00 0.00 C +ATOM 16 CA ARG A 16 286.272 258.855 221.614 1.00 0.00 C +ATOM 17 CA LEU A 17 286.189 260.360 225.113 1.00 0.00 C +ATOM 18 CA GLY A 18 285.118 263.736 226.515 1.00 0.00 C +ATOM 19 CA LEU A 19 285.290 267.542 226.489 1.00 0.00 C +ATOM 20 CA PRO A 20 285.638 270.880 224.684 1.00 0.00 C +ATOM 21 CA LYS A 21 283.151 273.661 225.454 1.00 0.00 C +ATOM 22 CA LYS A 22 279.656 274.507 224.197 1.00 0.00 C +ATOM 23 CA GLY A 23 277.797 277.778 223.598 1.00 0.00 C +ATOM 24 CA GLY A 24 274.672 279.568 222.356 1.00 0.00 C +ATOM 25 CA TYR A 25 271.617 280.057 220.132 1.00 0.00 C +ATOM 26 CA PRO A 26 269.669 277.600 217.967 1.00 0.00 C +ATOM 27 CA ARG A 27 270.242 273.847 217.648 1.00 0.00 C +ATOM 28 CA GLY A 28 270.315 270.181 216.613 1.00 0.00 C +ATOM 29 CA SER A 29 271.827 266.899 215.406 1.00 0.00 C +ATOM 30 CA ALA A 30 271.085 263.483 213.892 1.00 0.00 C +ATOM 31 CA PRO A 31 271.035 259.786 214.814 1.00 0.00 C +ATOM 32 CA LEU A 32 272.529 258.589 218.108 1.00 0.00 C +ATOM 33 CA ARG A 33 270.281 255.745 219.279 1.00 0.00 C +ATOM 34 CA LEU A 34 267.440 257.221 221.344 1.00 0.00 C +ATOM 35 CA ALA A 35 264.915 259.109 223.482 1.00 0.00 C +ATOM 36 CA ARG A 36 261.873 261.398 223.634 1.00 0.00 C +ATOM 37 CA PRO A 37 260.667 262.984 226.881 1.00 0.00 C +ATOM 38 CA PRO A 38 260.455 263.249 230.676 1.00 0.00 C +ATOM 39 CA THR A 39 257.057 264.855 231.302 1.00 0.00 C +ATOM 40 CA GLU A 40 253.532 265.864 232.336 1.00 0.00 C +ATOM 41 CA GLY A 41 253.829 268.298 235.253 1.00 0.00 C +ATOM 42 CA SER A 42 252.147 267.082 238.448 1.00 0.00 C +ATOM 43 CA ARG A 43 249.191 267.623 240.790 1.00 0.00 C +ATOM 44 CA ARG A 44 249.488 266.493 244.417 1.00 0.00 C +ATOM 45 CA ARG A 45 249.226 268.555 247.609 1.00 0.00 C +ATOM 46 CA GLY A 46 246.424 268.104 250.152 1.00 0.00 C +ATOM 47 CA CYS A 47 244.051 270.978 250.942 1.00 0.00 C +ATOM 48 CA TYR A 48 243.532 273.702 253.555 1.00 0.00 C +ATOM 49 CA PRO A 49 242.543 277.086 255.000 1.00 0.00 C +ATOM 50 CA ALA A 50 244.794 278.196 257.866 1.00 0.00 C +ATOM 51 CA PRO A 51 245.903 281.642 259.054 1.00 0.00 C +ATOM 52 CA GLY A 52 246.800 285.331 259.384 1.00 0.00 C +ATOM 53 CA ARG A 53 247.617 288.480 257.402 1.00 0.00 C +ATOM 54 CA SER A 54 249.007 289.416 253.980 1.00 0.00 C +ATOM 55 CA ALA A 55 246.840 292.119 252.395 1.00 0.00 C +ATOM 56 CA ARG A 56 243.504 292.691 254.145 1.00 0.00 C +ATOM 57 CA PHE A 57 240.710 294.449 256.048 1.00 0.00 C +ATOM 58 CA HIS A 58 237.465 295.802 254.581 1.00 0.00 C +ATOM 59 CA ALA A 59 233.905 296.888 255.396 1.00 0.00 C +ATOM 60 CA GLN A 60 231.036 299.253 254.565 1.00 0.00 C +ATOM 61 CA PRO A 61 229.281 299.096 251.187 1.00 0.00 C +ATOM 62 CA ARG A 62 229.820 295.505 250.035 1.00 0.00 C +ATOM 63 CA ALA A 63 231.453 292.476 251.671 1.00 0.00 C +ATOM 64 CA ALA A 64 234.545 290.680 252.987 1.00 0.00 C +ATOM 65 CA SER A 65 234.987 287.014 253.926 1.00 0.00 C +ATOM 66 CA GLY A 66 235.640 284.191 256.400 1.00 0.00 C +ATOM 67 CA ARG A 67 236.328 280.895 258.182 1.00 0.00 C +ATOM 68 CA GLY A 68 235.967 278.689 261.268 1.00 0.00 C +ATOM 69 CA ARG A 69 234.213 275.959 263.264 1.00 0.00 C +ATOM 70 CA ALA A 70 234.091 272.287 262.253 1.00 0.00 C +ATOM 71 CA GLY A 71 234.064 269.910 259.276 1.00 0.00 C +ATOM 72 CA ALA A 72 231.750 267.264 257.805 1.00 0.00 C +ATOM 73 CA GLY A 73 230.086 268.525 254.618 1.00 0.00 C +ATOM 74 CA ARG A 74 226.932 266.418 254.252 1.00 0.00 C +ATOM 75 CA PRO A 75 225.586 264.337 251.359 1.00 0.00 C +ATOM 76 CA LEU A 76 221.915 265.316 251.073 1.00 0.00 C +ATOM 77 CA ALA A 77 220.022 263.086 253.514 1.00 0.00 C +ATOM 78 CA GLY A 78 219.601 262.304 257.219 1.00 0.00 C +ATOM 79 CA ALA A 79 222.600 260.954 259.143 1.00 0.00 C +ATOM 80 CA TRP A 80 224.644 257.775 258.664 1.00 0.00 C +ATOM 81 CA GLY A 81 228.152 256.554 257.817 1.00 0.00 C +ATOM 82 CA SER A 82 230.976 257.979 259.941 1.00 0.00 C +ATOM 83 CA ALA A 83 232.800 260.860 261.640 1.00 0.00 C +ATOM 84 CA GLU A 84 235.813 260.079 263.837 1.00 0.00 C +ATOM 85 CA PRO A 85 239.379 261.125 264.676 1.00 0.00 C +ATOM 86 CA ALA A 86 242.144 263.722 265.032 1.00 0.00 C +ATOM 87 CA PRO A 87 245.341 261.879 264.085 1.00 0.00 C +ATOM 88 CA PRO A 88 246.611 263.750 261.018 1.00 0.00 C +ATOM 89 CA PRO A 89 245.153 266.171 258.463 1.00 0.00 C +ATOM 90 CA PRO A 90 243.739 265.052 255.107 1.00 0.00 C +ATOM 91 CA ARG A 91 241.645 261.870 255.141 1.00 0.00 C +ATOM 92 CA GLN A 92 241.347 260.248 251.706 1.00 0.00 C +ATOM 93 CA ALA A 93 242.446 256.967 250.112 1.00 0.00 C +ATOM 94 CA PRO A 94 242.830 253.215 249.572 1.00 0.00 C +ATOM 95 CA PRO A 95 239.406 251.563 249.833 1.00 0.00 C +ATOM 96 CA ARG A 96 236.809 248.777 249.936 1.00 0.00 C +ATOM 97 CA GLN A 97 238.145 245.539 251.434 1.00 0.00 C +ATOM 98 CA ALA A 98 241.255 244.080 249.785 1.00 0.00 C +ATOM 99 CA PRO A 99 243.073 240.818 249.033 1.00 0.00 C +ATOM 100 CA ARG A 100 246.784 240.089 249.491 1.00 0.00 C +ATOM 101 CA ALA A 101 248.988 237.809 247.379 1.00 0.00 C +ATOM 102 CA ARG A 102 250.382 234.762 249.193 1.00 0.00 C +ATOM 103 CA PRO A 103 252.492 232.263 251.148 1.00 0.00 C +ATOM 104 CA GLY A 104 253.412 233.684 254.561 1.00 0.00 C +ATOM 105 CA CYS A 105 255.867 233.546 257.471 1.00 0.00 C +ATOM 106 CA PRO A 106 255.819 236.795 259.461 1.00 0.00 C +ATOM 107 CA ARG A 107 253.645 237.521 262.505 1.00 0.00 C +ATOM 108 CA PRO A 108 250.398 238.844 263.994 1.00 0.00 C +ATOM 109 CA CYS A 109 248.217 241.797 262.973 1.00 0.00 C +ATOM 110 CA GLY A 110 245.892 244.787 262.560 1.00 0.00 C +ATOM 111 CA VAL A 111 242.869 246.899 261.604 1.00 0.00 C +ATOM 112 CA GLY A 112 240.436 244.779 259.579 1.00 0.00 C +ATOM 113 CA ALA A 113 238.143 243.006 262.051 1.00 0.00 C +ATOM 114 CA GLU A 114 234.910 242.470 263.994 1.00 0.00 C +ATOM 115 CA VAL A 115 233.356 245.926 264.388 1.00 0.00 C +ATOM 116 CA THR A 116 235.645 248.883 265.120 1.00 0.00 C +ATOM 117 CA PRO A 117 236.108 251.936 267.352 1.00 0.00 C +ATOM 118 CA VAL A 118 237.423 251.432 270.892 1.00 0.00 C +ATOM 119 CA GLY A 119 236.195 248.984 273.541 1.00 0.00 C +ATOM 120 CA SER A 120 234.530 245.888 275.008 1.00 0.00 C +ATOM 121 CA GLY A 121 234.681 242.694 272.936 1.00 0.00 C +ATOM 122 CA SER A 122 235.852 239.070 272.825 1.00 0.00 C +ATOM 123 CA PRO A 123 237.937 235.944 273.454 1.00 0.00 C +ATOM 124 CA SER A 124 240.196 233.883 271.181 1.00 0.00 C +ATOM 125 CA GLU A 125 242.370 231.053 272.516 1.00 0.00 C +ATOM 126 CA ARG A 126 243.748 227.637 273.489 1.00 0.00 C +ATOM 127 CA ARG A 127 245.778 225.102 271.497 1.00 0.00 C +ATOM 128 CA GLY A 128 246.584 225.481 267.793 1.00 0.00 C +ATOM 129 CA SER A 129 248.312 222.433 266.295 1.00 0.00 C +ATOM 130 CA ASP A 130 249.369 221.950 262.666 1.00 0.00 C +ATOM 131 CA PRO A 131 251.232 218.991 261.153 1.00 0.00 C +ATOM 132 CA PRO A 132 250.306 215.484 262.320 1.00 0.00 C +ATOM 133 CA ARG A 133 252.230 212.394 261.195 1.00 0.00 C +ATOM 134 CA PRO A 134 255.621 212.611 262.917 1.00 0.00 C +ATOM 135 CA PRO A 135 255.673 211.053 266.394 1.00 0.00 C +ATOM 136 CA CYS A 136 253.880 208.923 268.994 1.00 0.00 C +ATOM 137 CA SER A 137 255.185 207.279 272.174 1.00 0.00 C +ATOM 138 CA PRO A 138 254.194 207.753 275.822 1.00 0.00 C +ATOM 139 CA ARG A 139 251.828 208.828 278.607 1.00 0.00 C +ATOM 140 CA PRO A 140 248.497 206.987 278.792 1.00 0.00 C +ATOM 141 CA ARG A 141 247.675 206.947 282.512 1.00 0.00 C +ATOM 142 CA VAL A 142 244.978 204.340 283.181 1.00 0.00 C +ATOM 143 CA HIS A 143 242.613 201.707 284.593 1.00 0.00 C +ATOM 144 CA ALA A 144 240.353 198.697 285.179 1.00 0.00 C +ATOM 145 CA VAL A 145 239.273 195.319 283.786 1.00 0.00 C +ATOM 146 CA TYR A 146 241.193 192.079 283.208 1.00 0.00 C +ATOM 147 CA CYS A 147 243.462 192.806 280.235 1.00 0.00 C +ATOM 148 CA GLU A 148 241.540 194.136 277.226 1.00 0.00 C +ATOM 149 CA ASN A 149 239.469 192.488 274.486 1.00 0.00 C +ATOM 150 CA ARG A 150 237.529 191.549 271.344 1.00 0.00 C +ATOM 151 CA GLU A 151 236.358 188.755 269.033 1.00 0.00 C +ATOM 152 CA PRO A 152 234.472 187.384 266.020 1.00 0.00 C +ATOM 153 CA GLY A 153 234.853 183.610 265.663 1.00 0.00 C +ATOM 154 CA GLU A 154 236.067 179.999 265.652 1.00 0.00 C +ATOM 155 CA GLY A 155 236.314 176.549 267.250 1.00 0.00 C +ATOM 156 CA ARG A 156 236.490 172.925 266.089 1.00 0.00 C +ATOM 157 CA ARG A 157 237.630 169.429 265.091 1.00 0.00 C +ATOM 158 CA ARG A 158 239.631 166.366 266.156 1.00 0.00 C +TER 159 ARG A 158 +END diff --git a/Mammals/Q3UQU8/Q3UQU8.dcd b/Mammals/Q3UQU8/Q3UQU8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..4ed998ebb1ea6ea0293fffd36a30dedd26de32ee --- /dev/null +++ b/Mammals/Q3UQU8/Q3UQU8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:412a6a83e3611a7ae08b768fba9cc80c9f2cc51d4cc6407edbd776db2e763047 +size 11480276 diff --git a/Mammals/Q3UQU8/top.pdb b/Mammals/Q3UQU8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..96d936ae8705bda7b4b539d27d19efe307ac6af7 --- /dev/null +++ b/Mammals/Q3UQU8/top.pdb @@ -0,0 +1,93 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLU A 1 232.539 275.107 281.053 1.00 0.00 C +ATOM 2 CA GLU A 2 231.262 271.555 281.573 1.00 0.00 C +ATOM 3 CA ALA A 3 229.997 267.999 281.054 1.00 0.00 C +ATOM 4 CA ASP A 4 229.604 264.231 281.462 1.00 0.00 C +ATOM 5 CA LYS A 5 227.861 262.929 284.590 1.00 0.00 C +ATOM 6 CA PRO A 6 227.220 263.201 288.336 1.00 0.00 C +ATOM 7 CA SER A 7 225.898 260.951 291.111 1.00 0.00 C +ATOM 8 CA PRO A 8 223.353 258.593 292.687 1.00 0.00 C +ATOM 9 CA GLU A 9 223.932 255.967 295.386 1.00 0.00 C +ATOM 10 CA PRO A 10 223.447 252.457 293.986 1.00 0.00 C +ATOM 11 CA GLY A 11 224.328 252.658 290.285 1.00 0.00 C +ATOM 12 CA SER A 12 221.721 253.126 287.546 1.00 0.00 C +ATOM 13 CA GLY A 13 221.848 252.673 283.766 1.00 0.00 C +ATOM 14 CA ASP A 14 219.090 251.301 281.524 1.00 0.00 C +ATOM 15 CA PRO A 15 216.770 248.397 280.687 1.00 0.00 C +ATOM 16 CA LYS A 16 214.044 248.422 278.025 1.00 0.00 C +ATOM 17 CA PRO A 17 211.549 249.429 275.327 1.00 0.00 C +ATOM 18 CA ARG A 18 207.769 249.794 275.019 1.00 0.00 C +ATOM 19 CA ASN A 19 204.277 250.803 273.876 1.00 0.00 C +ATOM 20 CA THR A 20 202.183 253.837 274.836 1.00 0.00 C +ATOM 21 CA GLU A 21 202.082 257.551 275.682 1.00 0.00 C +ATOM 22 CA LYS A 22 202.085 261.158 274.455 1.00 0.00 C +ATOM 23 CA ASP A 23 204.758 261.323 271.745 1.00 0.00 C +ATOM 24 CA SER A 24 208.036 261.280 269.804 1.00 0.00 C +ATOM 25 CA ALA A 25 210.783 258.655 270.075 1.00 0.00 C +ATOM 26 CA ALA A 26 211.948 255.048 269.686 1.00 0.00 C +ATOM 27 CA ASP A 27 213.770 252.585 267.421 1.00 0.00 C +ATOM 28 CA GLN A 28 214.912 250.047 264.819 1.00 0.00 C +ATOM 29 CA SER A 29 218.341 250.218 263.168 1.00 0.00 C +ATOM 30 CA ASP A 30 219.599 249.625 259.620 1.00 0.00 C +ATOM 31 CA SER A 31 219.953 247.733 256.332 1.00 0.00 C +ATOM 32 CA PRO A 32 223.139 245.748 255.679 1.00 0.00 C +ATOM 33 CA PRO A 33 226.781 246.381 254.757 1.00 0.00 C +ATOM 34 CA GLU A 34 229.267 247.112 257.551 1.00 0.00 C +ATOM 35 CA LYS A 35 228.589 245.307 260.837 1.00 0.00 C +ATOM 36 CA THR A 36 227.906 247.574 263.821 1.00 0.00 C +ATOM 37 CA VAL A 37 227.621 251.065 265.323 1.00 0.00 C +ATOM 38 CA PRO A 38 228.759 254.516 264.180 1.00 0.00 C +ATOM 39 CA ASP A 39 230.675 255.604 261.071 1.00 0.00 C +ATOM 40 CA THR A 40 229.840 256.345 257.428 1.00 0.00 C +ATOM 41 CA ALA A 41 232.748 256.358 254.967 1.00 0.00 C +ATOM 42 CA GLY A 42 235.214 257.009 252.137 1.00 0.00 C +ATOM 43 CA LYS A 43 238.605 255.619 253.179 1.00 0.00 C +ATOM 44 CA GLY A 44 240.617 254.027 250.362 1.00 0.00 C +ATOM 45 CA GLU A 45 239.308 250.504 249.735 1.00 0.00 C +ATOM 46 CA CYS A 46 241.419 247.342 249.975 1.00 0.00 C +ATOM 47 CA PRO A 47 244.547 245.168 249.863 1.00 0.00 C +ATOM 48 CA THR A 48 247.976 246.796 250.187 1.00 0.00 C +ATOM 49 CA SER A 49 251.214 246.335 248.232 1.00 0.00 C +ATOM 50 CA SER A 50 254.836 245.897 247.136 1.00 0.00 C +ATOM 51 CA GLU A 51 257.043 245.610 250.229 1.00 0.00 C +ATOM 52 CA LYS A 52 259.634 242.884 249.621 1.00 0.00 C +ATOM 53 CA ASP A 53 259.735 241.109 246.251 1.00 0.00 C +ATOM 54 CA GLY A 54 262.148 243.185 244.157 1.00 0.00 C +ATOM 55 CA GLU A 55 263.407 243.910 240.635 1.00 0.00 C +ATOM 56 CA GLY A 56 263.772 245.536 237.208 1.00 0.00 C +ATOM 57 CA GLU A 57 265.638 245.941 233.911 1.00 0.00 C +ATOM 58 CA ASP A 58 267.967 243.183 232.693 1.00 0.00 C +ATOM 59 CA GLN A 59 268.161 239.637 234.073 1.00 0.00 C +ATOM 60 CA SER A 60 268.597 236.417 232.084 1.00 0.00 C +ATOM 61 CA LYS A 61 268.320 236.454 228.285 1.00 0.00 C +ATOM 62 CA ASP A 62 269.652 238.586 225.422 1.00 0.00 C +ATOM 63 CA SER A 63 269.946 239.318 221.695 1.00 0.00 C +ATOM 64 CA GLU A 64 267.586 241.764 219.973 1.00 0.00 C +ATOM 65 CA ASN A 65 269.045 245.213 219.271 1.00 0.00 C +ATOM 66 CA PRO A 66 272.476 246.809 218.826 1.00 0.00 C +ATOM 67 CA GLU A 67 275.618 247.661 220.807 1.00 0.00 C +ATOM 68 CA ASN A 68 278.604 249.307 219.107 1.00 0.00 C +ATOM 69 CA ALA A 69 281.539 250.619 221.152 1.00 0.00 C +ATOM 70 CA GLY A 70 283.885 252.894 223.110 1.00 0.00 C +ATOM 71 CA CYS A 71 286.862 252.283 225.408 1.00 0.00 C +ATOM 72 CA HIS A 72 290.232 250.630 226.062 1.00 0.00 C +ATOM 73 CA ALA A 73 292.271 247.969 224.253 1.00 0.00 C +ATOM 74 CA GLU A 74 290.748 245.546 221.737 1.00 0.00 C +ATOM 75 CA VAL A 75 290.833 242.988 218.914 1.00 0.00 C +ATOM 76 CA VAL A 76 292.489 242.019 215.623 1.00 0.00 C +ATOM 77 CA ALA A 77 295.418 241.942 213.188 1.00 0.00 C +ATOM 78 CA GLN A 78 298.965 243.198 213.784 1.00 0.00 C +ATOM 79 CA GLN A 79 300.683 246.366 212.548 1.00 0.00 C +ATOM 80 CA ASN A 80 302.976 249.084 211.179 1.00 0.00 C +ATOM 81 CA ALA A 81 302.611 251.955 213.658 1.00 0.00 C +ATOM 82 CA THR A 82 300.690 251.320 216.886 1.00 0.00 C +ATOM 83 CA ASN A 83 297.641 250.580 219.048 1.00 0.00 C +ATOM 84 CA PRO A 84 296.920 246.865 218.607 1.00 0.00 C +ATOM 85 CA GLN A 85 298.475 244.246 220.896 1.00 0.00 C +ATOM 86 CA THR A 86 300.608 241.272 221.952 1.00 0.00 C +ATOM 87 CA SER A 87 304.346 241.874 222.376 1.00 0.00 C +ATOM 88 CA SER A 88 305.395 241.864 226.039 1.00 0.00 C +ATOM 89 CA GLY A 89 305.040 238.603 227.976 1.00 0.00 C +TER 90 GLY A 89 +END diff --git a/Mammals/Q3UR07/Q3UR07.dcd b/Mammals/Q3UR07/Q3UR07.dcd new file mode 100644 index 0000000000000000000000000000000000000000..ba6c6c9468a02e09cb3dcc7bd7bed6878f540f96 --- /dev/null +++ b/Mammals/Q3UR07/Q3UR07.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8518fad0ac74f16aba30c1a708518076f147fe8148f6ec919cff4206345ed8b6 +size 16880276 diff --git a/Mammals/Q3UR07/top.pdb b/Mammals/Q3UR07/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3ef6bc3d3900e82214d06d06d0edfee11ea100c4 --- /dev/null +++ b/Mammals/Q3UR07/top.pdb @@ -0,0 +1,138 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 278.017 273.440 288.496 1.00 0.00 C +ATOM 2 CA ARG A 2 276.626 276.496 290.296 1.00 0.00 C +ATOM 3 CA ASP A 3 274.307 279.127 288.807 1.00 0.00 C +ATOM 4 CA ILE A 4 270.694 279.001 290.010 1.00 0.00 C +ATOM 5 CA ALA A 5 267.513 280.522 291.452 1.00 0.00 C +ATOM 6 CA VAL A 6 264.214 278.615 291.478 1.00 0.00 C +ATOM 7 CA THR A 7 261.813 277.730 288.656 1.00 0.00 C +ATOM 8 CA ASN A 8 259.019 277.537 286.072 1.00 0.00 C +ATOM 9 CA MET A 9 257.647 274.387 284.425 1.00 0.00 C +ATOM 10 CA ARG A 10 257.630 270.601 284.002 1.00 0.00 C +ATOM 11 CA ARG A 11 258.965 267.047 283.682 1.00 0.00 C +ATOM 12 CA HIS A 12 260.799 266.113 280.476 1.00 0.00 C +ATOM 13 CA SER A 13 263.120 263.590 278.815 1.00 0.00 C +ATOM 14 CA SER A 14 264.578 262.009 275.669 1.00 0.00 C +ATOM 15 CA SER A 15 262.932 258.777 274.504 1.00 0.00 C +ATOM 16 CA LYS A 16 259.713 256.919 273.664 1.00 0.00 C +ATOM 17 CA LYS A 17 256.845 257.169 271.168 1.00 0.00 C +ATOM 18 CA HIS A 18 255.388 258.402 267.871 1.00 0.00 C +ATOM 19 CA PRO A 19 255.768 256.203 264.783 1.00 0.00 C +ATOM 20 CA TRP A 20 258.744 253.896 265.366 1.00 0.00 C +ATOM 21 CA ASP A 21 262.310 253.491 264.087 1.00 0.00 C +ATOM 22 CA GLU A 22 264.414 255.786 266.283 1.00 0.00 C +ATOM 23 CA ALA A 23 265.890 257.428 269.388 1.00 0.00 C +ATOM 24 CA PRO A 24 268.558 259.124 271.515 1.00 0.00 C +ATOM 25 CA ARG A 25 272.286 258.396 271.221 1.00 0.00 C +ATOM 26 CA ALA A 26 274.160 255.150 271.904 1.00 0.00 C +ATOM 27 CA GLY A 27 275.017 252.360 269.456 1.00 0.00 C +ATOM 28 CA HIS A 28 276.642 249.380 267.725 1.00 0.00 C +ATOM 29 CA LEU A 29 275.154 245.944 268.431 1.00 0.00 C +ATOM 30 CA GLN A 30 274.982 242.153 268.772 1.00 0.00 C +ATOM 31 CA GLY A 31 275.909 239.093 266.700 1.00 0.00 C +ATOM 32 CA THR A 32 277.256 236.330 264.449 1.00 0.00 C +ATOM 33 CA PRO A 33 275.912 232.915 265.472 1.00 0.00 C +ATOM 34 CA THR A 34 278.349 231.289 267.908 1.00 0.00 C +ATOM 35 CA HIS A 35 279.856 228.946 270.506 1.00 0.00 C +ATOM 36 CA HIS A 36 283.362 229.117 271.988 1.00 0.00 C +ATOM 37 CA SER A 37 283.924 228.452 275.697 1.00 0.00 C +ATOM 38 CA GLN A 38 283.023 231.530 277.753 1.00 0.00 C +ATOM 39 CA ALA A 39 281.541 234.835 278.935 1.00 0.00 C +ATOM 40 CA GLU A 40 277.880 234.545 279.951 1.00 0.00 C +ATOM 41 CA LEU A 41 277.214 232.567 283.139 1.00 0.00 C +ATOM 42 CA GLN A 42 279.552 232.951 286.122 1.00 0.00 C +ATOM 43 CA ALA A 43 278.120 231.343 289.266 1.00 0.00 C +ATOM 44 CA PRO A 44 275.026 233.022 290.724 1.00 0.00 C +ATOM 45 CA GLY A 45 272.542 235.071 288.689 1.00 0.00 C +ATOM 46 CA HIS A 46 269.374 235.810 286.705 1.00 0.00 C +ATOM 47 CA THR A 47 266.940 233.033 285.769 1.00 0.00 C +ATOM 48 CA HIS A 48 267.503 230.161 288.208 1.00 0.00 C +ATOM 49 CA PRO A 49 268.085 226.435 287.663 1.00 0.00 C +ATOM 50 CA SER A 50 266.673 223.659 285.469 1.00 0.00 C +ATOM 51 CA GLN A 51 267.405 220.283 283.862 1.00 0.00 C +ATOM 52 CA PRO A 52 266.145 216.705 284.221 1.00 0.00 C +ATOM 53 CA SER A 53 262.533 215.690 283.559 1.00 0.00 C +ATOM 54 CA ARG A 54 260.068 218.488 282.778 1.00 0.00 C +ATOM 55 CA ALA A 55 259.119 220.083 279.451 1.00 0.00 C +ATOM 56 CA ALA A 56 258.328 222.089 276.309 1.00 0.00 C +ATOM 57 CA GLY A 57 259.140 222.373 272.598 1.00 0.00 C +ATOM 58 CA SER A 58 258.288 221.276 269.050 1.00 0.00 C +ATOM 59 CA ARG A 59 258.245 223.102 265.706 1.00 0.00 C +ATOM 60 CA ALA A 60 256.602 223.508 262.293 1.00 0.00 C +ATOM 61 CA HIS A 61 253.973 221.298 260.642 1.00 0.00 C +ATOM 62 CA PRO A 62 252.460 223.208 257.714 1.00 0.00 C +ATOM 63 CA PRO A 63 250.789 224.817 254.692 1.00 0.00 C +ATOM 64 CA ILE A 64 248.636 227.960 254.672 1.00 0.00 C +ATOM 65 CA THR A 65 244.854 228.040 255.132 1.00 0.00 C +ATOM 66 CA ALA A 66 243.638 229.992 258.169 1.00 0.00 C +ATOM 67 CA LYS A 67 245.817 229.686 261.279 1.00 0.00 C +ATOM 68 CA GLN A 68 249.603 229.912 260.921 1.00 0.00 C +ATOM 69 CA SER A 69 253.174 230.941 260.080 1.00 0.00 C +ATOM 70 CA CYS A 70 256.489 231.142 258.213 1.00 0.00 C +ATOM 71 CA ARG A 71 255.998 231.827 254.497 1.00 0.00 C +ATOM 72 CA LEU A 72 258.731 233.146 252.194 1.00 0.00 C +ATOM 73 CA GLN A 73 260.144 234.565 248.952 1.00 0.00 C +ATOM 74 CA GLY A 74 260.895 238.111 247.779 1.00 0.00 C +ATOM 75 CA THR A 75 263.147 237.805 244.722 1.00 0.00 C +ATOM 76 CA PRO A 76 262.493 237.610 240.974 1.00 0.00 C +ATOM 77 CA THR A 77 262.311 235.572 237.760 1.00 0.00 C +ATOM 78 CA HIS A 78 261.554 234.765 234.114 1.00 0.00 C +ATOM 79 CA HIS A 79 261.086 235.432 230.392 1.00 0.00 C +ATOM 80 CA CYS A 80 259.388 232.947 228.056 1.00 0.00 C +ATOM 81 CA GLN A 81 258.212 234.965 225.046 1.00 0.00 C +ATOM 82 CA ALA A 82 256.141 238.141 224.672 1.00 0.00 C +ATOM 83 CA GLU A 83 253.459 240.783 224.086 1.00 0.00 C +ATOM 84 CA LEU A 84 249.875 241.789 224.898 1.00 0.00 C +ATOM 85 CA GLN A 85 246.823 239.517 224.705 1.00 0.00 C +ATOM 86 CA ALA A 86 243.322 241.022 224.689 1.00 0.00 C +ATOM 87 CA PRO A 87 243.437 243.821 227.270 1.00 0.00 C +ATOM 88 CA GLY A 88 245.113 247.165 227.998 1.00 0.00 C +ATOM 89 CA HIS A 89 244.266 250.807 227.267 1.00 0.00 C +ATOM 90 CA THR A 90 241.931 251.756 224.409 1.00 0.00 C +ATOM 91 CA HIS A 91 239.796 254.903 224.170 1.00 0.00 C +ATOM 92 CA PRO A 92 237.313 254.891 221.281 1.00 0.00 C +ATOM 93 CA SER A 93 233.639 254.792 222.284 1.00 0.00 C +ATOM 94 CA GLN A 94 233.113 254.884 226.056 1.00 0.00 C +ATOM 95 CA PRO A 95 233.293 258.495 227.256 1.00 0.00 C +ATOM 96 CA SER A 96 231.871 261.982 227.838 1.00 0.00 C +ATOM 97 CA ARG A 97 229.054 264.548 227.823 1.00 0.00 C +ATOM 98 CA ALA A 98 225.764 262.752 228.503 1.00 0.00 C +ATOM 99 CA ALA A 99 222.147 261.744 227.858 1.00 0.00 C +ATOM 100 CA GLY A 100 219.748 264.321 229.314 1.00 0.00 C +ATOM 101 CA TRP A 101 217.024 265.357 226.859 1.00 0.00 C +ATOM 102 CA LEU A 102 214.585 268.232 227.411 1.00 0.00 C +ATOM 103 CA GLN A 103 215.196 271.802 228.592 1.00 0.00 C +ATOM 104 CA GLU A 104 212.609 274.122 227.031 1.00 0.00 C +ATOM 105 CA ALA A 105 212.079 274.037 223.259 1.00 0.00 C +ATOM 106 CA HIS A 106 209.609 272.144 221.061 1.00 0.00 C +ATOM 107 CA LEU A 107 210.797 271.190 217.569 1.00 0.00 C +ATOM 108 CA PRO A 108 213.669 272.805 215.655 1.00 0.00 C +ATOM 109 CA THR A 109 216.899 274.525 214.598 1.00 0.00 C +ATOM 110 CA ALA A 110 220.330 273.751 213.133 1.00 0.00 C +ATOM 111 CA ALA A 111 223.739 274.859 211.842 1.00 0.00 C +ATOM 112 CA PRO A 112 223.042 277.772 209.488 1.00 0.00 C +ATOM 113 CA PRO A 113 219.878 279.254 207.967 1.00 0.00 C +ATOM 114 CA ALA A 114 216.309 277.942 207.735 1.00 0.00 C +ATOM 115 CA TRP A 115 214.733 274.503 207.287 1.00 0.00 C +ATOM 116 CA ARG A 116 212.836 271.233 206.811 1.00 0.00 C +ATOM 117 CA SER A 117 212.769 267.468 206.232 1.00 0.00 C +ATOM 118 CA PRO A 118 213.798 263.979 205.099 1.00 0.00 C +ATOM 119 CA SER A 119 215.649 261.118 203.394 1.00 0.00 C +ATOM 120 CA LEU A 120 215.384 258.063 205.655 1.00 0.00 C +ATOM 121 CA GLY A 121 216.023 255.912 208.735 1.00 0.00 C +ATOM 122 CA GLY A 122 217.834 255.686 212.079 1.00 0.00 C +ATOM 123 CA LYS A 123 220.931 257.884 212.382 1.00 0.00 C +ATOM 124 CA ASN A 124 220.702 260.346 215.281 1.00 0.00 C +ATOM 125 CA PRO A 125 223.502 261.767 217.439 1.00 0.00 C +ATOM 126 CA THR A 126 226.407 263.695 218.976 1.00 0.00 C +ATOM 127 CA ARG A 127 227.920 267.191 218.981 1.00 0.00 C +ATOM 128 CA SER A 128 229.764 269.715 216.802 1.00 0.00 C +ATOM 129 CA SER A 129 233.179 270.128 218.440 1.00 0.00 C +ATOM 130 CA SER A 130 236.238 268.068 219.398 1.00 0.00 C +ATOM 131 CA LEU A 131 235.498 265.940 222.470 1.00 0.00 C +ATOM 132 CA CYS A 132 235.619 262.267 221.466 1.00 0.00 C +ATOM 133 CA HIS A 133 236.001 261.159 217.840 1.00 0.00 C +ATOM 134 CA SER A 134 238.292 262.740 215.239 1.00 0.00 C +TER 135 SER A 134 +END diff --git a/Mammals/Q3UR27/Q3UR27.dcd b/Mammals/Q3UR27/Q3UR27.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d11afda3ae2521740a1c1100a451d999d5318b7a --- /dev/null +++ b/Mammals/Q3UR27/Q3UR27.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f4a9bf10baa6973d40690cf30a98428b238d51ad2d69a4f847f50dee31e2f365 +size 23960276 diff --git a/Mammals/Q3UR27/top.pdb b/Mammals/Q3UR27/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0933d2cd1a76a1ee8f2fb7da3b3775e2cd9d6137 --- /dev/null +++ b/Mammals/Q3UR27/top.pdb @@ -0,0 +1,197 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ARG A 1 134.539 243.523 316.850 1.00 0.00 C +ATOM 2 CA GLN A 2 136.660 245.721 314.573 1.00 0.00 C +ATOM 3 CA LEU A 3 139.336 248.124 313.315 1.00 0.00 C +ATOM 4 CA LEU A 4 140.533 246.579 310.044 1.00 0.00 C +ATOM 5 CA ARG A 5 140.875 245.372 306.446 1.00 0.00 C +ATOM 6 CA ALA A 6 141.118 242.259 304.264 1.00 0.00 C +ATOM 7 CA SER A 7 141.780 242.445 300.517 1.00 0.00 C +ATOM 8 CA GLY A 8 143.397 242.946 297.103 1.00 0.00 C +ATOM 9 CA ASP A 9 146.908 242.791 295.632 1.00 0.00 C +ATOM 10 CA THR A 10 147.577 239.544 293.755 1.00 0.00 C +ATOM 11 CA ASP A 11 149.422 236.650 292.101 1.00 0.00 C +ATOM 12 CA LEU A 12 152.199 234.059 292.408 1.00 0.00 C +ATOM 13 CA GLN A 13 155.898 233.228 292.783 1.00 0.00 C +ATOM 14 CA PRO A 14 157.879 231.098 290.322 1.00 0.00 C +ATOM 15 CA LEU A 15 159.761 227.965 291.398 1.00 0.00 C +ATOM 16 CA GLY A 16 160.012 225.678 288.361 1.00 0.00 C +ATOM 17 CA ARG A 17 161.002 225.366 284.695 1.00 0.00 C +ATOM 18 CA GLU A 18 164.766 225.421 284.112 1.00 0.00 C +ATOM 19 CA GLY A 19 166.963 228.028 282.411 1.00 0.00 C +ATOM 20 CA ALA A 20 168.484 228.251 278.925 1.00 0.00 C +ATOM 21 CA ALA A 21 167.551 226.843 275.510 1.00 0.00 C +ATOM 22 CA ALA A 22 169.104 224.583 272.864 1.00 0.00 C +ATOM 23 CA LEU A 23 172.007 222.300 271.929 1.00 0.00 C +ATOM 24 CA PRO A 24 174.192 220.887 274.712 1.00 0.00 C +ATOM 25 CA SER A 25 173.389 217.163 274.736 1.00 0.00 C +ATOM 26 CA GLY A 26 169.744 216.537 275.650 1.00 0.00 C +ATOM 27 CA PRO A 27 167.425 215.280 278.400 1.00 0.00 C +ATOM 28 CA HIS A 28 163.893 214.881 279.771 1.00 0.00 C +ATOM 29 CA SER A 29 162.055 211.807 278.472 1.00 0.00 C +ATOM 30 CA GLY A 30 159.914 209.125 276.817 1.00 0.00 C +ATOM 31 CA VAL A 31 161.369 208.727 273.318 1.00 0.00 C +ATOM 32 CA THR A 32 161.901 207.089 269.920 1.00 0.00 C +ATOM 33 CA PRO A 33 162.618 203.382 270.435 1.00 0.00 C +ATOM 34 CA ARG A 34 166.231 202.283 270.939 1.00 0.00 C +ATOM 35 CA PRO A 35 167.661 204.744 273.472 1.00 0.00 C +ATOM 36 CA LEU A 36 170.037 207.132 275.252 1.00 0.00 C +ATOM 37 CA GLY A 37 169.952 210.481 273.437 1.00 0.00 C +ATOM 38 CA TRP A 38 168.575 209.883 269.936 1.00 0.00 C +ATOM 39 CA ARG A 39 170.102 211.048 266.646 1.00 0.00 C +ATOM 40 CA VAL A 40 169.555 212.085 263.021 1.00 0.00 C +ATOM 41 CA GLN A 41 172.588 213.489 261.191 1.00 0.00 C +ATOM 42 CA ARG A 42 173.127 217.154 260.303 1.00 0.00 C +ATOM 43 CA ARG A 43 173.791 218.910 263.618 1.00 0.00 C +ATOM 44 CA HIS A 44 175.497 220.482 266.641 1.00 0.00 C +ATOM 45 CA HIS A 45 179.235 220.678 265.929 1.00 0.00 C +ATOM 46 CA ILE A 46 179.466 221.175 262.159 1.00 0.00 C +ATOM 47 CA GLY A 47 179.444 221.647 258.378 1.00 0.00 C +ATOM 48 CA TRP A 48 182.335 223.948 257.448 1.00 0.00 C +ATOM 49 CA THR A 49 183.184 227.413 258.786 1.00 0.00 C +ATOM 50 CA THR A 50 180.589 229.790 260.245 1.00 0.00 C +ATOM 51 CA ILE A 51 180.974 229.442 264.019 1.00 0.00 C +ATOM 52 CA ARG A 52 180.144 228.839 267.688 1.00 0.00 C +ATOM 53 CA THR A 53 181.047 230.895 270.766 1.00 0.00 C +ATOM 54 CA PRO A 54 184.695 230.677 271.842 1.00 0.00 C +ATOM 55 CA ALA A 55 187.856 231.996 273.512 1.00 0.00 C +ATOM 56 CA GLU A 56 191.342 230.478 273.280 1.00 0.00 C +ATOM 57 CA SER A 57 194.498 231.843 271.639 1.00 0.00 C +ATOM 58 CA GLY A 58 195.124 234.968 269.551 1.00 0.00 C +ATOM 59 CA SER A 59 192.557 237.356 268.061 1.00 0.00 C +ATOM 60 CA THR A 60 190.134 238.481 265.343 1.00 0.00 C +ATOM 61 CA GLY A 61 191.875 241.358 263.552 1.00 0.00 C +ATOM 62 CA GLN A 62 191.536 243.408 260.359 1.00 0.00 C +ATOM 63 CA GLY A 63 192.955 246.929 260.678 1.00 0.00 C +ATOM 64 CA GLY A 64 196.755 246.747 260.459 1.00 0.00 C +ATOM 65 CA ASP A 65 200.456 247.648 260.523 1.00 0.00 C +ATOM 66 CA ARG A 66 203.309 249.190 262.522 1.00 0.00 C +ATOM 67 CA GLY A 67 206.861 248.378 261.409 1.00 0.00 C +ATOM 68 CA THR A 68 208.207 245.159 262.940 1.00 0.00 C +ATOM 69 CA GLY A 69 210.911 242.671 263.944 1.00 0.00 C +ATOM 70 CA GLN A 70 214.062 240.541 263.703 1.00 0.00 C +ATOM 71 CA ALA A 71 216.274 238.799 261.137 1.00 0.00 C +ATOM 72 CA GLY A 72 220.014 239.159 260.504 1.00 0.00 C +ATOM 73 CA SER A 73 222.094 242.063 261.827 1.00 0.00 C +ATOM 74 CA GLU A 74 223.470 244.284 259.053 1.00 0.00 C +ATOM 75 CA PRO A 75 227.250 244.175 259.515 1.00 0.00 C +ATOM 76 CA ARG A 76 230.947 244.091 260.433 1.00 0.00 C +ATOM 77 CA ARG A 77 234.621 243.389 259.709 1.00 0.00 C +ATOM 78 CA ARG A 78 237.832 241.858 258.345 1.00 0.00 C +ATOM 79 CA ASP A 79 240.657 242.792 260.724 1.00 0.00 C +ATOM 80 CA THR A 80 243.323 245.514 260.732 1.00 0.00 C +ATOM 81 CA HIS A 81 245.025 248.432 262.494 1.00 0.00 C +ATOM 82 CA ALA A 82 248.463 249.568 263.678 1.00 0.00 C +ATOM 83 CA ARG A 83 250.335 249.445 266.994 1.00 0.00 C +ATOM 84 CA GLN A 84 252.622 251.489 269.255 1.00 0.00 C +ATOM 85 CA PRO A 85 255.762 253.394 268.241 1.00 0.00 C +ATOM 86 CA ASP A 86 254.520 256.887 267.364 1.00 0.00 C +ATOM 87 CA ARG A 87 251.140 257.579 268.980 1.00 0.00 C +ATOM 88 CA GLY A 88 251.055 261.303 269.781 1.00 0.00 C +ATOM 89 CA ARG A 89 250.754 264.434 267.631 1.00 0.00 C +ATOM 90 CA GLY A 90 252.030 264.224 264.047 1.00 0.00 C +ATOM 91 CA GLU A 91 253.666 261.468 261.987 1.00 0.00 C +ATOM 92 CA VAL A 92 252.361 261.908 258.435 1.00 0.00 C +ATOM 93 CA SER A 93 254.021 260.207 255.458 1.00 0.00 C +ATOM 94 CA PRO A 94 252.218 257.119 254.144 1.00 0.00 C +ATOM 95 CA GLN A 95 251.709 254.930 257.220 1.00 0.00 C +ATOM 96 CA LEU A 96 253.418 252.390 259.489 1.00 0.00 C +ATOM 97 CA PRO A 97 256.499 250.535 260.746 1.00 0.00 C +ATOM 98 CA ASP A 98 260.218 250.346 259.938 1.00 0.00 C +ATOM 99 CA SER A 99 261.752 247.431 261.851 1.00 0.00 C +ATOM 100 CA GLY A 100 260.461 246.664 265.353 1.00 0.00 C +ATOM 101 CA THR A 101 258.756 247.419 268.675 1.00 0.00 C +ATOM 102 CA SER A 102 259.700 244.798 271.273 1.00 0.00 C +ATOM 103 CA ARG A 103 262.719 242.573 271.944 1.00 0.00 C +ATOM 104 CA ARG A 104 264.546 243.335 275.200 1.00 0.00 C +ATOM 105 CA THR A 105 268.184 242.519 275.981 1.00 0.00 C +ATOM 106 CA ALA A 106 271.048 241.891 278.414 1.00 0.00 C +ATOM 107 CA ALA A 107 273.915 244.284 279.170 1.00 0.00 C +ATOM 108 CA GLY A 108 275.659 246.823 276.929 1.00 0.00 C +ATOM 109 CA ALA A 109 275.309 250.617 276.977 1.00 0.00 C +ATOM 110 CA ALA A 110 276.944 253.239 274.748 1.00 0.00 C +ATOM 111 CA ALA A 111 276.324 253.816 271.034 1.00 0.00 C +ATOM 112 CA PRO A 112 275.144 256.848 269.051 1.00 0.00 C +ATOM 113 CA ARG A 113 273.879 258.533 265.877 1.00 0.00 C +ATOM 114 CA GLU A 114 273.559 260.068 262.405 1.00 0.00 C +ATOM 115 CA ALA A 115 271.635 260.121 259.117 1.00 0.00 C +ATOM 116 CA ARG A 116 273.214 258.173 256.248 1.00 0.00 C +ATOM 117 CA GLU A 117 272.753 260.042 252.960 1.00 0.00 C +ATOM 118 CA GLN A 118 274.902 259.683 249.835 1.00 0.00 C +ATOM 119 CA GLU A 119 277.480 257.951 247.628 1.00 0.00 C +ATOM 120 CA GLY A 120 279.917 256.676 244.992 1.00 0.00 C +ATOM 121 CA ARG A 121 280.065 255.820 241.282 1.00 0.00 C +ATOM 122 CA CYS A 122 282.595 257.691 239.134 1.00 0.00 C +ATOM 123 CA ARG A 123 286.126 258.363 240.398 1.00 0.00 C +ATOM 124 CA GLY A 124 288.480 260.785 242.160 1.00 0.00 C +ATOM 125 CA LEU A 125 291.180 261.863 244.622 1.00 0.00 C +ATOM 126 CA GLU A 126 294.660 263.236 245.345 1.00 0.00 C +ATOM 127 CA LEU A 127 298.338 264.230 245.292 1.00 0.00 C +ATOM 128 CA PRO A 128 300.481 262.459 247.897 1.00 0.00 C +ATOM 129 CA GLY A 129 302.341 259.286 248.894 1.00 0.00 C +ATOM 130 CA PRO A 130 305.141 259.600 251.459 1.00 0.00 C +ATOM 131 CA GLY A 131 305.556 262.626 253.736 1.00 0.00 C +ATOM 132 CA GLN A 132 304.130 266.150 253.492 1.00 0.00 C +ATOM 133 CA LEU A 133 302.011 269.303 253.191 1.00 0.00 C +ATOM 134 CA PRO A 134 298.535 268.713 251.747 1.00 0.00 C +ATOM 135 CA THR A 135 297.465 270.839 248.772 1.00 0.00 C +ATOM 136 CA SER A 136 296.313 271.757 245.258 1.00 0.00 C +ATOM 137 CA ARG A 137 298.489 274.294 243.429 1.00 0.00 C +ATOM 138 CA GLY A 138 298.799 275.235 239.750 1.00 0.00 C +ATOM 139 CA HIS A 139 296.703 277.892 237.999 1.00 0.00 C +ATOM 140 CA ALA A 140 296.603 281.072 240.095 1.00 0.00 C +ATOM 141 CA ALA A 141 297.706 283.966 242.315 1.00 0.00 C +ATOM 142 CA SER A 142 299.119 287.077 240.630 1.00 0.00 C +ATOM 143 CA LEU A 143 300.438 289.131 237.705 1.00 0.00 C +ATOM 144 CA PRO A 144 298.866 290.684 234.602 1.00 0.00 C +ATOM 145 CA GLU A 145 299.087 290.816 230.800 1.00 0.00 C +ATOM 146 CA SER A 146 299.300 294.020 228.749 1.00 0.00 C +ATOM 147 CA GLY A 147 301.970 296.598 229.608 1.00 0.00 C +ATOM 148 CA ARG A 148 305.223 294.616 229.528 1.00 0.00 C +ATOM 149 CA THR A 149 307.454 291.581 230.103 1.00 0.00 C +ATOM 150 CA ARG A 150 310.375 289.392 229.013 1.00 0.00 C +ATOM 151 CA THR A 151 312.758 286.456 228.544 1.00 0.00 C +ATOM 152 CA GLY A 152 312.581 282.657 228.767 1.00 0.00 C +ATOM 153 CA ARG A 153 313.966 279.142 229.265 1.00 0.00 C +ATOM 154 CA ARG A 154 315.120 277.507 226.023 1.00 0.00 C +ATOM 155 CA GLY A 155 314.233 273.968 224.924 1.00 0.00 C +ATOM 156 CA GLU A 156 314.511 271.392 222.132 1.00 0.00 C +ATOM 157 CA LYS A 157 312.408 268.844 220.234 1.00 0.00 C +ATOM 158 CA ALA A 158 311.857 270.104 216.681 1.00 0.00 C +ATOM 159 CA ALA A 159 315.073 271.505 215.192 1.00 0.00 C +ATOM 160 CA GLY A 160 318.301 269.498 215.450 1.00 0.00 C +ATOM 161 CA ARG A 161 320.742 270.353 218.248 1.00 0.00 C +ATOM 162 CA GLY A 162 324.527 270.700 217.990 1.00 0.00 C +ATOM 163 CA GLY A 163 327.257 268.169 217.179 1.00 0.00 C +ATOM 164 CA ARG A 164 330.668 269.687 216.423 1.00 0.00 C +ATOM 165 CA PRO A 165 333.908 270.385 214.542 1.00 0.00 C +ATOM 166 CA ARG A 166 334.049 272.083 211.134 1.00 0.00 C +ATOM 167 CA VAL A 167 332.407 272.535 207.726 1.00 0.00 C +ATOM 168 CA PRO A 168 330.024 272.988 204.788 1.00 0.00 C +ATOM 169 CA LEU A 169 327.303 272.143 202.258 1.00 0.00 C +ATOM 170 CA PRO A 170 326.785 269.926 199.203 1.00 0.00 C +ATOM 171 CA SER A 171 327.694 268.613 195.743 1.00 0.00 C +ATOM 172 CA PRO A 172 328.417 267.440 192.192 1.00 0.00 C +ATOM 173 CA PRO A 173 331.267 267.076 189.689 1.00 0.00 C +ATOM 174 CA PRO A 174 332.300 265.976 186.190 1.00 0.00 C +ATOM 175 CA GLY A 175 335.250 265.309 183.873 1.00 0.00 C +ATOM 176 CA ARG A 176 337.909 266.146 181.276 1.00 0.00 C +ATOM 177 CA GLY A 177 341.310 266.636 182.922 1.00 0.00 C +ATOM 178 CA ALA A 178 345.100 267.030 182.948 1.00 0.00 C +ATOM 179 CA PRO A 179 347.898 268.838 184.796 1.00 0.00 C +ATOM 180 CA GLY A 180 351.249 268.522 183.011 1.00 0.00 C +ATOM 181 CA GLY A 181 353.969 266.837 180.942 1.00 0.00 C +ATOM 182 CA SER A 182 357.165 265.974 182.826 1.00 0.00 C +ATOM 183 CA ASP A 183 359.963 266.587 180.314 1.00 0.00 C +ATOM 184 CA GLY A 184 362.857 264.133 179.968 1.00 0.00 C +ATOM 185 CA GLY A 185 364.458 261.071 178.362 1.00 0.00 C +ATOM 186 CA ALA A 186 362.527 257.886 177.559 1.00 0.00 C +ATOM 187 CA ALA A 187 363.472 255.084 175.158 1.00 0.00 C +ATOM 188 CA GLY A 188 361.296 251.957 175.106 1.00 0.00 C +ATOM 189 CA PRO A 189 359.955 248.877 173.308 1.00 0.00 C +ATOM 190 CA GLY A 190 356.315 248.326 174.287 1.00 0.00 C +ATOM 191 CA ARG A 191 354.362 250.855 172.212 1.00 0.00 C +ATOM 192 CA PHE A 192 356.357 251.636 169.062 1.00 0.00 C +ATOM 193 CA THR A 193 355.845 251.772 165.289 1.00 0.00 C +TER 194 THR A 193 +END diff --git a/Mammals/Q3URA2/Q3URA2.dcd b/Mammals/Q3URA2/Q3URA2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..4d0fb838374d9abf2e28a6bd940593890acf189d --- /dev/null +++ b/Mammals/Q3URA2/Q3URA2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d8cc6688a8b3b29cf64dbc66562413bcd13afdad5b7cb98deece0b4ce65c4658 +size 12320276 diff --git a/Mammals/Q3URA2/top.pdb b/Mammals/Q3URA2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d83179aa437353cac045f7d89ff265747fe27d85 --- /dev/null +++ b/Mammals/Q3URA2/top.pdb @@ -0,0 +1,100 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ASP A 1 247.435 265.956 252.935 1.00 0.00 C +ATOM 2 CA SER A 2 248.177 262.557 251.382 1.00 0.00 C +ATOM 3 CA GLY A 3 247.677 262.897 247.621 1.00 0.00 C +ATOM 4 CA ASP A 4 249.720 262.376 244.447 1.00 0.00 C +ATOM 5 CA GLU A 5 250.326 260.234 241.355 1.00 0.00 C +ATOM 6 CA ASP A 6 253.849 258.882 240.826 1.00 0.00 C +ATOM 7 CA GLY A 7 257.467 257.928 241.544 1.00 0.00 C +ATOM 8 CA GLU A 8 260.080 260.385 242.828 1.00 0.00 C +ATOM 9 CA ASP A 9 260.509 263.006 245.560 1.00 0.00 C +ATOM 10 CA PRO A 10 263.823 264.724 244.796 1.00 0.00 C +ATOM 11 CA ASP A 11 267.452 263.568 244.711 1.00 0.00 C +ATOM 12 CA LYS A 12 269.902 266.463 245.083 1.00 0.00 C +ATOM 13 CA ARG A 13 269.868 270.270 244.953 1.00 0.00 C +ATOM 14 CA ILE A 14 269.913 273.554 243.022 1.00 0.00 C +ATOM 15 CA SER A 15 269.076 273.279 239.315 1.00 0.00 C +ATOM 16 CA ILE A 16 271.899 272.427 236.903 1.00 0.00 C +ATOM 17 CA ARG A 17 274.618 269.759 236.850 1.00 0.00 C +ATOM 18 CA ALA A 18 277.337 267.846 238.711 1.00 0.00 C +ATOM 19 CA SER A 19 277.502 264.065 239.150 1.00 0.00 C +ATOM 20 CA ASP A 20 274.423 261.829 238.971 1.00 0.00 C +ATOM 21 CA LYS A 21 272.013 260.733 236.231 1.00 0.00 C +ATOM 22 CA ARG A 22 269.866 257.593 236.443 1.00 0.00 C +ATOM 23 CA ILE A 23 269.051 253.872 236.363 1.00 0.00 C +ATOM 24 CA ALA A 24 271.279 250.850 235.714 1.00 0.00 C +ATOM 25 CA CYS A 25 272.616 251.097 232.155 1.00 0.00 C +ATOM 26 CA ASP A 26 271.148 253.687 229.778 1.00 0.00 C +ATOM 27 CA GLU A 27 268.573 252.682 227.156 1.00 0.00 C +ATOM 28 CA GLU A 28 266.897 249.683 225.508 1.00 0.00 C +ATOM 29 CA PHE A 29 264.549 247.148 223.903 1.00 0.00 C +ATOM 30 CA SER A 30 264.528 243.856 225.821 1.00 0.00 C +ATOM 31 CA ASP A 31 260.905 242.976 226.606 1.00 0.00 C +ATOM 32 CA SER A 32 258.674 245.997 225.967 1.00 0.00 C +ATOM 33 CA GLU A 33 258.189 249.749 226.419 1.00 0.00 C +ATOM 34 CA ASP A 34 258.656 253.365 225.313 1.00 0.00 C +ATOM 35 CA GLU A 35 256.039 256.108 224.929 1.00 0.00 C +ATOM 36 CA GLY A 36 253.083 254.438 223.201 1.00 0.00 C +ATOM 37 CA GLU A 37 249.703 255.320 221.681 1.00 0.00 C +ATOM 38 CA GLY A 38 246.861 253.626 223.571 1.00 0.00 C +ATOM 39 CA GLY A 39 243.885 251.516 222.473 1.00 0.00 C +ATOM 40 CA ARG A 40 241.402 253.585 220.456 1.00 0.00 C +ATOM 41 CA ARG A 41 243.242 256.747 219.391 1.00 0.00 C +ATOM 42 CA ASN A 42 243.671 260.062 221.218 1.00 0.00 C +ATOM 43 CA VAL A 43 240.741 262.431 221.787 1.00 0.00 C +ATOM 44 CA ALA A 44 238.507 263.683 218.966 1.00 0.00 C +ATOM 45 CA ASP A 45 235.627 265.430 220.744 1.00 0.00 C +ATOM 46 CA HIS A 46 235.777 264.627 224.466 1.00 0.00 C +ATOM 47 CA LYS A 47 233.775 267.118 226.538 1.00 0.00 C +ATOM 48 CA LYS A 48 235.893 268.651 229.310 1.00 0.00 C +ATOM 49 CA GLY A 49 238.387 269.781 231.959 1.00 0.00 C +ATOM 50 CA ALA A 50 238.636 267.770 235.186 1.00 0.00 C +ATOM 51 CA LYS A 51 240.587 264.557 234.564 1.00 0.00 C +ATOM 52 CA LYS A 52 242.471 261.678 236.202 1.00 0.00 C +ATOM 53 CA ALA A 53 242.268 261.721 240.006 1.00 0.00 C +ATOM 54 CA ARG A 54 242.648 258.447 241.916 1.00 0.00 C +ATOM 55 CA ILE A 55 243.141 254.792 242.872 1.00 0.00 C +ATOM 56 CA GLU A 56 245.227 251.603 242.851 1.00 0.00 C +ATOM 57 CA GLU A 57 244.177 249.005 245.433 1.00 0.00 C +ATOM 58 CA ASP A 58 247.193 247.608 247.296 1.00 0.00 C +ATOM 59 CA LYS A 59 249.632 244.687 247.483 1.00 0.00 C +ATOM 60 CA LYS A 60 252.887 245.151 249.407 1.00 0.00 C +ATOM 61 CA GLU A 61 255.540 242.519 250.148 1.00 0.00 C +ATOM 62 CA THR A 62 256.369 238.879 249.389 1.00 0.00 C +ATOM 63 CA GLU A 63 255.976 236.955 252.653 1.00 0.00 C +ATOM 64 CA ASP A 64 256.190 233.481 254.204 1.00 0.00 C +ATOM 65 CA LYS A 65 254.131 230.735 255.857 1.00 0.00 C +ATOM 66 CA LYS A 66 252.823 228.731 258.821 1.00 0.00 C +ATOM 67 CA THR A 67 254.201 225.352 259.918 1.00 0.00 C +ATOM 68 CA ASP A 68 256.801 223.152 261.624 1.00 0.00 C +ATOM 69 CA VAL A 69 255.789 222.570 265.251 1.00 0.00 C +ATOM 70 CA LYS A 70 254.320 225.028 267.763 1.00 0.00 C +ATOM 71 CA GLU A 71 252.893 223.037 270.682 1.00 0.00 C +ATOM 72 CA GLU A 72 249.230 223.009 271.730 1.00 0.00 C +ATOM 73 CA ASP A 73 246.600 220.353 272.465 1.00 0.00 C +ATOM 74 CA LYS A 74 243.847 217.810 271.779 1.00 0.00 C +ATOM 75 CA SER A 75 240.718 219.735 270.767 1.00 0.00 C +ATOM 76 CA LYS A 76 239.087 221.177 273.894 1.00 0.00 C +ATOM 77 CA ASP A 77 235.317 220.947 274.391 1.00 0.00 C +ATOM 78 CA ASN A 78 232.786 220.658 277.225 1.00 0.00 C +ATOM 79 CA SER A 79 230.424 222.667 279.439 1.00 0.00 C +ATOM 80 CA GLY A 80 230.697 226.467 279.357 1.00 0.00 C +ATOM 81 CA GLU A 81 231.723 230.118 278.992 1.00 0.00 C +ATOM 82 CA LYS A 82 233.045 233.581 279.871 1.00 0.00 C +ATOM 83 CA THR A 83 235.148 235.529 277.362 1.00 0.00 C +ATOM 84 CA ASP A 84 235.983 239.223 276.939 1.00 0.00 C +ATOM 85 CA PRO A 85 233.367 241.652 275.609 1.00 0.00 C +ATOM 86 CA LYS A 86 232.438 245.064 277.028 1.00 0.00 C +ATOM 87 CA GLY A 87 232.089 247.707 279.750 1.00 0.00 C +ATOM 88 CA ALA A 88 234.268 246.904 282.770 1.00 0.00 C +ATOM 89 CA LYS A 89 233.652 248.366 286.234 1.00 0.00 C +ATOM 90 CA SER A 90 234.787 250.458 289.209 1.00 0.00 C +ATOM 91 CA GLU A 91 236.048 253.395 291.282 1.00 0.00 C +ATOM 92 CA GLN A 92 234.945 254.853 294.625 1.00 0.00 C +ATOM 93 CA LEU A 93 234.701 255.019 298.424 1.00 0.00 C +ATOM 94 CA SER A 94 233.501 254.684 302.024 1.00 0.00 C +ATOM 95 CA ASN A 95 229.993 256.140 302.336 1.00 0.00 C +ATOM 96 CA PRO A 96 227.115 258.605 301.945 1.00 0.00 C +TER 97 PRO A 96 +END diff --git a/Mammals/Q3URV9/Q3URV9.dcd b/Mammals/Q3URV9/Q3URV9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c699fd0c7dbd656d2f3b903ac2bc99f1caa33fd7 --- /dev/null +++ b/Mammals/Q3URV9/Q3URV9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5fda790bb2084c7217db970a273d8b118837a6f40db6ba79b12f00fd3e78778a +size 41880276 diff --git a/Mammals/Q3URV9/top.pdb b/Mammals/Q3URV9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b61b58298a03e0298e8b79ce38dc55e221fe880e --- /dev/null +++ b/Mammals/Q3URV9/top.pdb @@ -0,0 +1,230 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ARG A 1 263.429 205.325 252.856 1.00 0.00 C +ATOM 2 CA ARG A 2 259.851 206.622 253.042 1.00 0.00 C +ATOM 3 CA THR A 3 257.106 207.450 250.534 1.00 0.00 C +ATOM 4 CA PRO A 4 254.641 208.171 247.719 1.00 0.00 C +ATOM 5 CA SER A 5 254.583 211.956 247.283 1.00 0.00 C +ATOM 6 CA SER A 6 254.998 214.958 249.592 1.00 0.00 C +ATOM 7 CA SER A 7 256.805 213.748 252.720 1.00 0.00 C +ATOM 8 CA ARG A 8 258.785 212.461 255.710 1.00 0.00 C +ATOM 9 CA HIS A 9 262.547 212.090 255.234 1.00 0.00 C +ATOM 10 CA ARG A 10 266.076 212.615 253.899 1.00 0.00 C +ATOM 11 CA ARG A 11 267.655 211.828 250.522 1.00 0.00 C +ATOM 12 CA SER A 12 269.522 211.842 247.201 1.00 0.00 C +ATOM 13 CA ARG A 13 270.963 213.423 244.049 1.00 0.00 C +ATOM 14 CA SER A 14 272.164 211.398 241.053 1.00 0.00 C +ATOM 15 CA ARG A 15 274.895 211.006 238.426 1.00 0.00 C +ATOM 16 CA SER A 16 278.435 212.409 238.568 1.00 0.00 C +ATOM 17 CA ARG A 17 279.906 212.933 235.093 1.00 0.00 C +ATOM 18 CA ARG A 18 280.620 216.530 234.061 1.00 0.00 C +ATOM 19 CA ARG A 19 281.830 216.276 230.457 1.00 0.00 C +ATOM 20 CA SER A 20 283.646 215.939 227.125 1.00 0.00 C +ATOM 21 CA HIS A 21 286.701 216.540 224.928 1.00 0.00 C +ATOM 22 CA SER A 22 289.799 214.405 224.333 1.00 0.00 C +ATOM 23 CA LYS A 23 291.653 211.766 222.304 1.00 0.00 C +ATOM 24 CA SER A 24 294.153 209.121 221.177 1.00 0.00 C +ATOM 25 CA ARG A 25 296.036 206.274 219.485 1.00 0.00 C +ATOM 26 CA SER A 26 294.182 203.026 218.759 1.00 0.00 C +ATOM 27 CA ARG A 27 290.789 203.126 220.490 1.00 0.00 C +ATOM 28 CA ARG A 28 287.093 202.966 219.575 1.00 0.00 C +ATOM 29 CA ARG A 29 285.324 206.317 219.969 1.00 0.00 C +ATOM 30 CA SER A 30 284.625 209.229 222.325 1.00 0.00 C +ATOM 31 CA LYS A 31 282.627 212.092 220.800 1.00 0.00 C +ATOM 32 CA SER A 32 279.840 214.618 221.412 1.00 0.00 C +ATOM 33 CA PRO A 33 277.295 215.145 224.197 1.00 0.00 C +ATOM 34 CA ARG A 34 275.703 213.856 227.410 1.00 0.00 C +ATOM 35 CA ARG A 35 273.316 211.132 226.227 1.00 0.00 C +ATOM 36 CA ARG A 36 269.828 209.630 226.540 1.00 0.00 C +ATOM 37 CA ARG A 37 267.226 206.895 227.054 1.00 0.00 C +ATOM 38 CA SER A 38 265.721 207.555 230.491 1.00 0.00 C +ATOM 39 CA HIS A 39 264.222 209.968 233.030 1.00 0.00 C +ATOM 40 CA SER A 40 262.628 208.238 236.028 1.00 0.00 C +ATOM 41 CA ARG A 41 264.592 208.200 239.292 1.00 0.00 C +ATOM 42 CA GLU A 42 262.242 208.263 242.291 1.00 0.00 C +ATOM 43 CA ARG A 43 263.708 210.780 244.747 1.00 0.00 C +ATOM 44 CA GLY A 44 262.428 213.569 247.005 1.00 0.00 C +ATOM 45 CA ARG A 45 262.903 217.214 248.007 1.00 0.00 C +ATOM 46 CA ARG A 46 265.924 218.216 250.100 1.00 0.00 C +ATOM 47 CA SER A 47 269.336 219.888 249.808 1.00 0.00 C +ATOM 48 CA ARG A 48 269.788 221.789 246.537 1.00 0.00 C +ATOM 49 CA SER A 49 272.176 219.954 244.203 1.00 0.00 C +ATOM 50 CA THR A 50 272.700 221.988 241.025 1.00 0.00 C +ATOM 51 CA SER A 51 275.378 222.232 238.326 1.00 0.00 C +ATOM 52 CA LYS A 52 278.764 223.653 237.309 1.00 0.00 C +ATOM 53 CA ALA A 53 282.411 224.330 238.177 1.00 0.00 C +ATOM 54 CA ARG A 54 283.509 226.130 241.351 1.00 0.00 C +ATOM 55 CA ASP A 55 282.379 225.950 244.985 1.00 0.00 C +ATOM 56 CA LYS A 56 278.764 226.117 246.177 1.00 0.00 C +ATOM 57 CA LYS A 57 275.176 226.291 244.908 1.00 0.00 C +ATOM 58 CA LYS A 58 273.499 229.413 246.305 1.00 0.00 C +ATOM 59 CA GLU A 59 275.366 231.113 249.159 1.00 0.00 C +ATOM 60 CA ASP A 60 276.895 228.741 251.719 1.00 0.00 C +ATOM 61 CA LYS A 61 280.701 228.659 251.851 1.00 0.00 C +ATOM 62 CA GLU A 62 281.953 232.112 252.864 1.00 0.00 C +ATOM 63 CA LYS A 63 282.035 234.424 249.837 1.00 0.00 C +ATOM 64 CA LYS A 64 281.502 238.129 249.124 1.00 0.00 C +ATOM 65 CA ARG A 65 282.768 240.396 246.336 1.00 0.00 C +ATOM 66 CA SER A 66 281.948 239.595 242.703 1.00 0.00 C +ATOM 67 CA LYS A 67 279.065 237.160 242.179 1.00 0.00 C +ATOM 68 CA THR A 68 275.783 237.970 240.422 1.00 0.00 C +ATOM 69 CA PRO A 69 272.233 237.496 239.120 1.00 0.00 C +ATOM 70 CA PRO A 70 271.673 240.271 236.569 1.00 0.00 C +ATOM 71 CA LYS A 71 273.163 240.222 233.063 1.00 0.00 C +ATOM 72 CA SER A 72 276.141 241.794 231.280 1.00 0.00 C +ATOM 73 CA TYR A 73 275.773 244.852 229.038 1.00 0.00 C +ATOM 74 CA SER A 74 277.669 245.680 225.839 1.00 0.00 C +ATOM 75 CA THR A 75 279.646 248.849 226.585 1.00 0.00 C +ATOM 76 CA ALA A 76 279.340 249.555 230.317 1.00 0.00 C +ATOM 77 CA ARG A 77 278.302 253.138 231.088 1.00 0.00 C +ATOM 78 CA ARG A 78 279.186 256.792 231.707 1.00 0.00 C +ATOM 79 CA SER A 79 279.958 259.990 233.630 1.00 0.00 C +ATOM 80 CA ARG A 80 277.494 262.618 234.870 1.00 0.00 C +ATOM 81 CA SER A 81 275.253 264.632 232.538 1.00 0.00 C +ATOM 82 CA ALA A 82 275.698 267.385 229.942 1.00 0.00 C +ATOM 83 CA SER A 83 274.492 269.426 226.959 1.00 0.00 C +ATOM 84 CA ARG A 84 276.389 270.548 223.851 1.00 0.00 C +ATOM 85 CA GLU A 85 275.233 274.116 223.181 1.00 0.00 C +ATOM 86 CA ARG A 86 273.508 277.513 223.212 1.00 0.00 C +ATOM 87 CA ARG A 87 271.672 279.071 226.164 1.00 0.00 C +ATOM 88 CA ARG A 88 270.945 279.215 229.902 1.00 0.00 C +ATOM 89 CA ARG A 89 268.900 277.060 232.288 1.00 0.00 C +ATOM 90 CA ARG A 90 270.835 276.294 235.479 1.00 0.00 C +ATOM 91 CA SER A 91 273.310 273.402 235.650 1.00 0.00 C +ATOM 92 CA ARG A 92 275.633 273.994 232.689 1.00 0.00 C +ATOM 93 CA SER A 93 277.908 276.979 233.345 1.00 0.00 C +ATOM 94 CA GLY A 94 279.543 280.023 231.740 1.00 0.00 C +ATOM 95 CA THR A 95 282.830 281.950 231.760 1.00 0.00 C +ATOM 96 CA ARG A 96 286.472 281.619 230.692 1.00 0.00 C +ATOM 97 CA SER A 97 287.029 278.054 229.468 1.00 0.00 C +ATOM 98 CA PRO A 98 285.998 274.410 229.049 1.00 0.00 C +ATOM 99 CA LYS A 99 284.924 271.850 231.658 1.00 0.00 C +ATOM 100 CA LYS A 100 287.116 271.751 234.773 1.00 0.00 C +ATOM 101 CA PRO A 101 287.706 275.404 235.680 1.00 0.00 C +ATOM 102 CA ARG A 102 288.667 278.792 237.135 1.00 0.00 C +ATOM 103 CA SER A 103 291.452 278.947 239.731 1.00 0.00 C +ATOM 104 CA PRO A 104 290.751 277.752 243.280 1.00 0.00 C +ATOM 105 CA LYS A 105 293.458 276.694 245.744 1.00 0.00 C +ATOM 106 CA ARG A 106 294.829 274.578 248.600 1.00 0.00 C +ATOM 107 CA LYS A 107 292.137 273.865 251.200 1.00 0.00 C +ATOM 108 CA LEU A 108 292.884 271.029 253.632 1.00 0.00 C +ATOM 109 CA SER A 109 292.249 269.325 256.980 1.00 0.00 C +ATOM 110 CA ARG A 110 288.804 267.719 256.709 1.00 0.00 C +ATOM 111 CA SER A 111 286.533 265.137 258.348 1.00 0.00 C +ATOM 112 CA PRO A 112 285.962 262.144 256.060 1.00 0.00 C +ATOM 113 CA SER A 113 287.551 258.757 255.342 1.00 0.00 C +ATOM 114 CA PRO A 114 287.735 257.747 251.673 1.00 0.00 C +ATOM 115 CA ARG A 115 286.477 260.189 249.033 1.00 0.00 C +ATOM 116 CA ARG A 116 283.769 262.600 250.200 1.00 0.00 C +ATOM 117 CA HIS A 117 281.009 264.402 252.112 1.00 0.00 C +ATOM 118 CA LYS A 118 281.453 268.162 251.693 1.00 0.00 C +ATOM 119 CA LYS A 119 279.438 270.334 249.296 1.00 0.00 C +ATOM 120 CA GLU A 120 277.459 273.389 250.421 1.00 0.00 C +ATOM 121 CA LYS A 121 275.731 274.657 247.272 1.00 0.00 C +ATOM 122 CA LYS A 122 273.963 276.019 244.184 1.00 0.00 C +ATOM 123 CA LYS A 123 270.706 276.547 242.278 1.00 0.00 C +ATOM 124 CA ASP A 124 268.022 274.063 243.345 1.00 0.00 C +ATOM 125 CA LYS A 125 266.101 273.033 240.220 1.00 0.00 C +ATOM 126 CA ASP A 126 265.213 272.084 236.639 1.00 0.00 C +ATOM 127 CA LYS A 127 262.951 269.860 234.528 1.00 0.00 C +ATOM 128 CA GLU A 128 259.614 269.505 232.723 1.00 0.00 C +ATOM 129 CA ARG A 129 256.416 267.805 233.907 1.00 0.00 C +ATOM 130 CA SER A 130 254.599 265.961 236.702 1.00 0.00 C +ATOM 131 CA ARG A 131 253.009 262.960 238.428 1.00 0.00 C +ATOM 132 CA ASP A 132 250.673 260.590 236.572 1.00 0.00 C +ATOM 133 CA GLU A 133 247.086 261.669 235.875 1.00 0.00 C +ATOM 134 CA ARG A 134 244.631 260.055 238.301 1.00 0.00 C +ATOM 135 CA GLU A 135 243.636 260.231 241.974 1.00 0.00 C +ATOM 136 CA ARG A 136 243.636 260.078 245.781 1.00 0.00 C +ATOM 137 CA SER A 137 242.262 260.187 249.333 1.00 0.00 C +ATOM 138 CA THR A 138 239.194 259.910 251.575 1.00 0.00 C +ATOM 139 CA SER A 139 236.139 259.263 249.393 1.00 0.00 C +ATOM 140 CA LYS A 140 233.038 259.701 251.562 1.00 0.00 C +ATOM 141 CA LYS A 141 230.591 262.585 252.021 1.00 0.00 C +ATOM 142 CA LYS A 142 230.183 265.564 249.681 1.00 0.00 C +ATOM 143 CA ARG A 143 226.745 266.401 248.269 1.00 0.00 C +ATOM 144 CA SER A 144 223.253 267.566 247.285 1.00 0.00 C +ATOM 145 CA LYS A 145 221.011 267.197 244.227 1.00 0.00 C +ATOM 146 CA ASP A 146 221.215 264.511 241.532 1.00 0.00 C +ATOM 147 CA LYS A 147 223.219 261.275 241.374 1.00 0.00 C +ATOM 148 CA GLU A 148 226.921 260.653 242.026 1.00 0.00 C +ATOM 149 CA LYS A 149 229.047 258.034 243.797 1.00 0.00 C +ATOM 150 CA GLU A 150 229.830 255.107 241.486 1.00 0.00 C +ATOM 151 CA ARG A 151 231.189 251.692 242.486 1.00 0.00 C +ATOM 152 CA GLU A 152 232.594 248.450 243.912 1.00 0.00 C +ATOM 153 CA ARG A 153 233.487 244.757 243.618 1.00 0.00 C +ATOM 154 CA LYS A 154 233.866 241.467 241.735 1.00 0.00 C +ATOM 155 CA SER A 155 233.058 238.558 239.411 1.00 0.00 C +ATOM 156 CA GLU A 156 229.780 239.147 237.561 1.00 0.00 C +ATOM 157 CA SER A 157 226.731 240.806 239.132 1.00 0.00 C +ATOM 158 CA ASP A 158 223.641 241.569 241.226 1.00 0.00 C +ATOM 159 CA LYS A 159 224.288 241.743 244.977 1.00 0.00 C +ATOM 160 CA ASP A 160 227.807 241.508 246.419 1.00 0.00 C +ATOM 161 CA VAL A 161 228.325 240.943 250.151 1.00 0.00 C +ATOM 162 CA LYS A 162 226.407 239.508 253.114 1.00 0.00 C +ATOM 163 CA GLN A 163 223.309 237.291 253.036 1.00 0.00 C +ATOM 164 CA VAL A 164 220.187 238.161 255.038 1.00 0.00 C +ATOM 165 CA THR A 165 218.931 236.020 257.929 1.00 0.00 C +ATOM 166 CA ARG A 166 218.613 235.058 261.602 1.00 0.00 C +ATOM 167 CA ASP A 167 217.315 234.349 265.113 1.00 0.00 C +ATOM 168 CA TYR A 168 217.515 235.093 268.844 1.00 0.00 C +ATOM 169 CA ASP A 169 219.072 238.360 270.035 1.00 0.00 C +ATOM 170 CA GLU A 170 216.921 239.577 272.935 1.00 0.00 C +ATOM 171 CA GLU A 171 216.480 243.049 274.441 1.00 0.00 C +ATOM 172 CA GLU A 172 217.287 244.682 277.787 1.00 0.00 C +ATOM 173 CA GLN A 173 215.657 247.568 279.665 1.00 0.00 C +ATOM 174 CA GLY A 174 211.881 248.014 279.919 1.00 0.00 C +ATOM 175 CA TYR A 175 209.924 244.745 279.937 1.00 0.00 C +ATOM 176 CA ASP A 176 211.555 241.789 278.172 1.00 0.00 C +ATOM 177 CA SER A 177 210.213 238.273 277.574 1.00 0.00 C +ATOM 178 CA GLU A 178 208.719 237.299 274.208 1.00 0.00 C +ATOM 179 CA LYS A 179 208.603 237.464 270.403 1.00 0.00 C +ATOM 180 CA GLU A 180 207.609 240.720 268.693 1.00 0.00 C +ATOM 181 CA LYS A 181 205.466 242.531 271.272 1.00 0.00 C +ATOM 182 CA LYS A 182 205.930 242.968 275.028 1.00 0.00 C +ATOM 183 CA GLU A 183 204.100 245.113 277.591 1.00 0.00 C +ATOM 184 CA GLU A 184 200.758 244.328 279.242 1.00 0.00 C +ATOM 185 CA LYS A 185 198.614 247.287 280.320 1.00 0.00 C +ATOM 186 CA ARG A 186 199.706 250.927 280.589 1.00 0.00 C +ATOM 187 CA PRO A 187 198.827 254.349 282.017 1.00 0.00 C +ATOM 188 CA THR A 188 197.082 255.562 285.179 1.00 0.00 C +ATOM 189 CA GLU A 189 193.728 253.755 285.132 1.00 0.00 C +ATOM 190 CA ALA A 190 191.634 254.888 288.107 1.00 0.00 C +ATOM 191 CA VAL A 191 189.844 256.524 291.045 1.00 0.00 C +ATOM 192 CA SER A 192 190.065 259.845 292.900 1.00 0.00 C +ATOM 193 CA PRO A 193 192.290 262.707 291.726 1.00 0.00 C +ATOM 194 CA LYS A 194 192.963 263.046 287.992 1.00 0.00 C +ATOM 195 CA THR A 195 191.349 265.089 285.210 1.00 0.00 C +ATOM 196 CA LYS A 196 190.351 266.103 281.676 1.00 0.00 C +ATOM 197 CA GLU A 197 190.728 269.448 279.891 1.00 0.00 C +ATOM 198 CA CYS A 198 187.285 271.080 279.865 1.00 0.00 C +ATOM 199 CA SER A 199 185.533 271.798 283.172 1.00 0.00 C +ATOM 200 CA VAL A 200 183.625 275.087 282.944 1.00 0.00 C +ATOM 201 CA GLU A 201 182.142 278.193 284.579 1.00 0.00 C +ATOM 202 CA LYS A 202 184.886 280.680 285.475 1.00 0.00 C +ATOM 203 CA GLY A 203 188.431 280.773 286.868 1.00 0.00 C +ATOM 204 CA VAL A 204 192.177 280.089 286.984 1.00 0.00 C +ATOM 205 CA GLY A 205 194.812 281.387 284.557 1.00 0.00 C +ATOM 206 CA ASP A 206 195.197 284.068 281.877 1.00 0.00 C +ATOM 207 CA LEU A 207 195.617 283.279 278.174 1.00 0.00 C +ATOM 208 CA ARG A 208 194.168 283.907 274.707 1.00 0.00 C +ATOM 209 CA GLU A 209 196.835 284.786 272.132 1.00 0.00 C +ATOM 210 CA SER A 210 197.318 288.565 272.105 1.00 0.00 C +ATOM 211 CA LYS A 211 199.957 291.223 272.804 1.00 0.00 C +ATOM 212 CA VAL A 212 203.512 290.097 272.017 1.00 0.00 C +ATOM 213 CA ASN A 213 207.276 290.438 272.497 1.00 0.00 C +ATOM 214 CA GLY A 214 209.614 289.180 269.764 1.00 0.00 C +ATOM 215 CA ASP A 215 213.375 289.303 270.362 1.00 0.00 C +ATOM 216 CA ASP A 216 215.468 291.569 268.125 1.00 0.00 C +ATOM 217 CA HIS A 217 216.205 290.902 264.447 1.00 0.00 C +ATOM 218 CA HIS A 218 216.047 293.946 262.162 1.00 0.00 C +ATOM 219 CA GLU A 219 218.096 297.145 261.869 1.00 0.00 C +ATOM 220 CA GLU A 220 218.883 299.542 264.724 1.00 0.00 C +ATOM 221 CA ASP A 221 220.296 298.072 267.942 1.00 0.00 C +ATOM 222 CA MET A 222 222.442 297.736 271.072 1.00 0.00 C +ATOM 223 CA ASP A 223 222.319 300.654 273.519 1.00 0.00 C +ATOM 224 CA MET A 224 219.034 301.992 274.910 1.00 0.00 C +ATOM 225 CA SER A 225 215.631 303.013 276.285 1.00 0.00 C +ATOM 226 CA ASP A 226 215.292 305.622 279.040 1.00 0.00 C +TER 227 ASP A 226 +END diff --git a/Mammals/Q3USG7/Q3USG7.dcd b/Mammals/Q3USG7/Q3USG7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..bd3fecef6d4559b08f8d052d27a5c4a6019f68f7 --- /dev/null +++ b/Mammals/Q3USG7/Q3USG7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f246e8ea47fd1d2b698aedb8918f447f5b1d7bcc455e77d4b1f1ea48531b58e2 +size 19640276 diff --git a/Mammals/Q3USG7/top.pdb b/Mammals/Q3USG7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5aa99977641168303238e2bc2ba0594b45aac019 --- /dev/null +++ b/Mammals/Q3USG7/top.pdb @@ -0,0 +1,161 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LEU A 1 258.063 274.328 218.791 1.00 0.00 C +ATOM 2 CA ARG A 2 258.105 276.570 221.871 1.00 0.00 C +ATOM 3 CA PRO A 3 257.154 275.742 225.466 1.00 0.00 C +ATOM 4 CA ALA A 4 256.617 273.208 228.260 1.00 0.00 C +ATOM 5 CA SER A 5 256.815 269.806 226.557 1.00 0.00 C +ATOM 6 CA ALA A 6 254.311 266.970 226.104 1.00 0.00 C +ATOM 7 CA ILE A 7 250.624 266.352 225.370 1.00 0.00 C +ATOM 8 CA VAL A 8 247.393 266.035 227.365 1.00 0.00 C +ATOM 9 CA GLY A 9 244.400 267.251 225.346 1.00 0.00 C +ATOM 10 CA SER A 10 241.406 265.254 226.597 1.00 0.00 C +ATOM 11 CA PRO A 11 238.155 267.211 226.257 1.00 0.00 C +ATOM 12 CA ASN A 12 238.082 268.257 222.594 1.00 0.00 C +ATOM 13 CA LEU A 13 236.340 271.612 222.121 1.00 0.00 C +ATOM 14 CA ASP A 14 237.685 273.541 219.123 1.00 0.00 C +ATOM 15 CA ALA A 15 237.989 276.200 216.411 1.00 0.00 C +ATOM 16 CA GLN A 16 240.264 279.195 217.021 1.00 0.00 C +ATOM 17 CA LEU A 17 243.161 281.388 218.168 1.00 0.00 C +ATOM 18 CA LEU A 18 243.787 283.239 221.439 1.00 0.00 C +ATOM 19 CA PRO A 19 242.475 286.662 222.478 1.00 0.00 C +ATOM 20 CA PRO A 20 242.828 290.362 221.643 1.00 0.00 C +ATOM 21 CA PRO A 21 242.982 293.675 223.518 1.00 0.00 C +ATOM 22 CA HIS A 22 244.380 296.654 225.438 1.00 0.00 C +ATOM 23 CA PRO A 23 246.639 298.448 227.927 1.00 0.00 C +ATOM 24 CA LEU A 24 249.388 297.247 230.276 1.00 0.00 C +ATOM 25 CA LEU A 25 251.710 299.494 232.295 1.00 0.00 C +ATOM 26 CA SER A 26 254.789 301.676 232.823 1.00 0.00 C +ATOM 27 CA PRO A 27 256.074 305.154 231.947 1.00 0.00 C +ATOM 28 CA PRO A 28 255.919 307.381 235.035 1.00 0.00 C +ATOM 29 CA ALA A 29 256.586 305.166 238.062 1.00 0.00 C +ATOM 30 CA SER A 30 260.034 304.352 239.463 1.00 0.00 C +ATOM 31 CA PRO A 31 261.664 300.924 239.794 1.00 0.00 C +ATOM 32 CA ALA A 32 265.077 300.622 241.462 1.00 0.00 C +ATOM 33 CA ARG A 33 267.853 298.634 243.153 1.00 0.00 C +ATOM 34 CA THR A 34 267.071 297.819 246.791 1.00 0.00 C +ATOM 35 CA SER A 35 264.033 297.224 249.012 1.00 0.00 C +ATOM 36 CA LYS A 36 260.388 296.756 248.007 1.00 0.00 C +ATOM 37 CA HIS A 37 257.646 297.890 250.397 1.00 0.00 C +ATOM 38 CA GLY A 38 254.096 297.906 249.016 1.00 0.00 C +ATOM 39 CA ARG A 39 254.220 298.863 245.330 1.00 0.00 C +ATOM 40 CA THR A 40 254.314 298.360 241.554 1.00 0.00 C +ATOM 41 CA HIS A 41 254.710 295.454 239.123 1.00 0.00 C +ATOM 42 CA SER A 42 252.083 292.703 238.898 1.00 0.00 C +ATOM 43 CA GLU A 43 251.767 289.165 237.521 1.00 0.00 C +ATOM 44 CA ALA A 44 250.333 285.663 237.080 1.00 0.00 C +ATOM 45 CA ASP A 45 249.824 281.887 237.082 1.00 0.00 C +ATOM 46 CA GLY A 46 252.209 279.118 236.005 1.00 0.00 C +ATOM 47 CA LEU A 47 252.473 275.560 237.343 1.00 0.00 C +ATOM 48 CA GLY A 48 252.292 273.101 240.247 1.00 0.00 C +ATOM 49 CA ARG A 49 251.637 274.625 243.677 1.00 0.00 C +ATOM 50 CA LYS A 50 250.408 273.515 247.109 1.00 0.00 C +ATOM 51 CA ASP A 51 247.034 275.000 248.070 1.00 0.00 C +ATOM 52 CA THR A 52 243.678 275.819 246.463 1.00 0.00 C +ATOM 53 CA ARG A 53 240.687 273.513 245.960 1.00 0.00 C +ATOM 54 CA SER A 54 236.974 273.514 246.816 1.00 0.00 C +ATOM 55 CA ASP A 55 235.583 275.510 249.748 1.00 0.00 C +ATOM 56 CA VAL A 56 232.385 274.204 251.355 1.00 0.00 C +ATOM 57 CA VAL A 57 232.085 274.556 255.137 1.00 0.00 C +ATOM 58 CA PRO A 58 229.871 276.399 257.630 1.00 0.00 C +ATOM 59 CA CYS A 59 226.745 274.304 258.224 1.00 0.00 C +ATOM 60 CA PRO A 60 225.984 271.604 255.645 1.00 0.00 C +ATOM 61 CA GLY A 61 227.793 268.320 256.322 1.00 0.00 C +ATOM 62 CA GLY A 62 231.277 267.008 255.512 1.00 0.00 C +ATOM 63 CA ASP A 63 234.228 268.921 256.979 1.00 0.00 C +ATOM 64 CA TRP A 64 237.747 267.925 258.050 1.00 0.00 C +ATOM 65 CA PRO A 65 239.017 264.451 258.963 1.00 0.00 C +ATOM 66 CA PRO A 66 237.829 260.961 259.923 1.00 0.00 C +ATOM 67 CA ALA A 67 239.653 257.631 260.241 1.00 0.00 C +ATOM 68 CA GLY A 68 239.925 254.767 257.743 1.00 0.00 C +ATOM 69 CA VAL A 69 240.928 254.171 254.116 1.00 0.00 C +ATOM 70 CA LEU A 70 239.799 250.628 253.287 1.00 0.00 C +ATOM 71 CA GLN A 71 240.895 248.047 250.707 1.00 0.00 C +ATOM 72 CA PRO A 72 243.015 244.900 251.050 1.00 0.00 C +ATOM 73 CA ARG A 73 246.593 244.690 249.758 1.00 0.00 C +ATOM 74 CA GLY A 74 248.508 243.662 246.629 1.00 0.00 C +ATOM 75 CA SER A 75 251.270 242.425 244.314 1.00 0.00 C +ATOM 76 CA GLY A 76 254.502 240.491 244.889 1.00 0.00 C +ATOM 77 CA GLY A 77 255.631 237.174 246.384 1.00 0.00 C +ATOM 78 CA GLY A 78 257.788 234.246 245.248 1.00 0.00 C +ATOM 79 CA CYS A 79 258.459 233.198 241.647 1.00 0.00 C +ATOM 80 CA GLU A 80 256.791 229.819 241.086 1.00 0.00 C +ATOM 81 CA HIS A 81 253.094 230.399 240.369 1.00 0.00 C +ATOM 82 CA PHE A 82 252.004 229.188 236.925 1.00 0.00 C +ATOM 83 CA PRO A 83 254.293 226.809 235.023 1.00 0.00 C +ATOM 84 CA ALA A 84 257.434 224.758 235.688 1.00 0.00 C +ATOM 85 CA SER A 85 257.785 221.427 233.872 1.00 0.00 C +ATOM 86 CA PRO A 86 259.198 218.029 232.885 1.00 0.00 C +ATOM 87 CA GLU A 87 261.547 218.811 229.989 1.00 0.00 C +ATOM 88 CA ARG A 88 264.141 216.030 229.763 1.00 0.00 C +ATOM 89 CA ARG A 89 266.074 215.764 226.490 1.00 0.00 C +ATOM 90 CA HIS A 90 269.697 216.214 225.400 1.00 0.00 C +ATOM 91 CA THR A 91 271.632 219.494 225.290 1.00 0.00 C +ATOM 92 CA SER A 92 269.589 222.683 225.702 1.00 0.00 C +ATOM 93 CA ALA A 93 268.756 224.927 228.667 1.00 0.00 C +ATOM 94 CA VAL A 94 269.824 225.681 232.245 1.00 0.00 C +ATOM 95 CA PRO A 95 268.935 223.013 234.816 1.00 0.00 C +ATOM 96 CA ARG A 96 268.273 224.744 238.144 1.00 0.00 C +ATOM 97 CA LEU A 97 266.359 224.078 241.371 1.00 0.00 C +ATOM 98 CA LEU A 98 263.366 226.068 242.636 1.00 0.00 C +ATOM 99 CA ARG A 99 260.420 225.782 245.034 1.00 0.00 C +ATOM 100 CA ARG A 100 257.776 224.882 247.626 1.00 0.00 C +ATOM 101 CA ASP A 101 254.233 224.049 248.753 1.00 0.00 C +ATOM 102 CA GLU A 102 251.157 221.991 249.655 1.00 0.00 C +ATOM 103 CA LEU A 103 249.487 223.392 252.781 1.00 0.00 C +ATOM 104 CA PRO A 104 247.939 222.993 256.239 1.00 0.00 C +ATOM 105 CA PRO A 105 246.076 224.860 258.988 1.00 0.00 C +ATOM 106 CA ARG A 106 242.767 226.280 257.745 1.00 0.00 C +ATOM 107 CA GLY A 107 239.728 225.395 259.865 1.00 0.00 C +ATOM 108 CA ASP A 108 236.333 225.215 258.145 1.00 0.00 C +ATOM 109 CA HIS A 109 232.613 225.660 257.450 1.00 0.00 C +ATOM 110 CA ARG A 110 230.233 225.354 260.409 1.00 0.00 C +ATOM 111 CA GLY A 111 228.673 223.979 263.602 1.00 0.00 C +ATOM 112 CA CYS A 112 229.417 221.228 266.130 1.00 0.00 C +ATOM 113 CA ASP A 113 232.598 219.305 265.292 1.00 0.00 C +ATOM 114 CA THR A 114 232.582 215.685 266.479 1.00 0.00 C +ATOM 115 CA LEU A 115 230.781 214.762 269.707 1.00 0.00 C +ATOM 116 CA PRO A 116 226.977 214.546 269.694 1.00 0.00 C +ATOM 117 CA PRO A 117 225.639 212.013 267.183 1.00 0.00 C +ATOM 118 CA ARG A 118 227.616 211.150 264.042 1.00 0.00 C +ATOM 119 CA LYS A 119 230.026 208.584 262.585 1.00 0.00 C +ATOM 120 CA PRO A 120 233.019 208.118 260.275 1.00 0.00 C +ATOM 121 CA LYS A 121 236.756 208.760 259.900 1.00 0.00 C +ATOM 122 CA ILE A 122 239.493 206.486 258.537 1.00 0.00 C +ATOM 123 CA PRO A 123 241.152 203.481 260.189 1.00 0.00 C +ATOM 124 CA ALA A 124 242.882 202.810 263.517 1.00 0.00 C +ATOM 125 CA PRO A 125 244.111 203.044 267.115 1.00 0.00 C +ATOM 126 CA THR A 126 242.799 201.355 270.269 1.00 0.00 C +ATOM 127 CA SER A 127 245.137 200.489 273.150 1.00 0.00 C +ATOM 128 CA GLY A 128 248.745 200.785 274.336 1.00 0.00 C +ATOM 129 CA MET A 129 250.102 203.804 276.223 1.00 0.00 C +ATOM 130 CA THR A 130 253.273 205.318 274.752 1.00 0.00 C +ATOM 131 CA PRO A 131 254.800 208.579 273.506 1.00 0.00 C +ATOM 132 CA PRO A 132 256.873 210.961 275.638 1.00 0.00 C +ATOM 133 CA THR A 133 256.688 214.306 273.823 1.00 0.00 C +ATOM 134 CA PRO A 134 255.213 214.407 270.312 1.00 0.00 C +ATOM 135 CA ARG A 135 254.154 217.925 269.304 1.00 0.00 C +ATOM 136 CA ARG A 136 251.728 218.255 266.385 1.00 0.00 C +ATOM 137 CA ARG A 137 251.967 221.827 265.083 1.00 0.00 C +ATOM 138 CA ILE A 138 253.651 224.356 267.382 1.00 0.00 C +ATOM 139 CA HIS A 139 256.332 227.060 267.263 1.00 0.00 C +ATOM 140 CA SER A 140 257.517 230.641 266.726 1.00 0.00 C +ATOM 141 CA GLN A 141 259.428 231.633 269.869 1.00 0.00 C +ATOM 142 CA SER A 142 260.232 231.345 273.582 1.00 0.00 C +ATOM 143 CA ALA A 143 261.580 234.052 275.900 1.00 0.00 C +ATOM 144 CA ALA A 144 264.615 232.657 277.733 1.00 0.00 C +ATOM 145 CA LYS A 145 266.499 233.763 280.855 1.00 0.00 C +ATOM 146 CA ASN A 146 264.428 236.530 282.457 1.00 0.00 C +ATOM 147 CA GLY A 147 261.869 239.156 283.492 1.00 0.00 C +ATOM 148 CA PRO A 148 263.296 242.330 285.041 1.00 0.00 C +ATOM 149 CA ALA A 149 265.576 245.311 284.387 1.00 0.00 C +ATOM 150 CA ALA A 150 266.527 248.683 282.889 1.00 0.00 C +ATOM 151 CA GLY A 151 265.499 252.250 282.031 1.00 0.00 C +ATOM 152 CA THR A 152 261.765 252.763 282.588 1.00 0.00 C +ATOM 153 CA GLN A 153 258.380 251.313 283.563 1.00 0.00 C +ATOM 154 CA ASP A 154 258.472 247.955 285.361 1.00 0.00 C +ATOM 155 CA PRO A 155 260.927 247.263 288.191 1.00 0.00 C +ATOM 156 CA VAL A 156 263.317 245.368 290.474 1.00 0.00 C +ATOM 157 CA VAL A 157 265.198 247.561 292.958 1.00 0.00 C +TER 158 VAL A 157 +END diff --git a/Mammals/Q3USU0/Q3USU0.dcd b/Mammals/Q3USU0/Q3USU0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8da5bcad87b0f701ea7ee67a8e2570e31c94ee54 --- /dev/null +++ b/Mammals/Q3USU0/Q3USU0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:495c7fad7ee93c062dc7ca9ca9abccccb076afdf00e9712e97f2f2251c4bf6e9 +size 19880276 diff --git a/Mammals/Q3USU0/top.pdb b/Mammals/Q3USU0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1312244e6ba9846e6c3f0da893dd007465e514ef --- /dev/null +++ b/Mammals/Q3USU0/top.pdb @@ -0,0 +1,163 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLY A 1 291.774 235.634 246.152 1.00 0.00 C +ATOM 2 CA ALA A 2 291.445 239.361 245.432 1.00 0.00 C +ATOM 3 CA GLY A 3 289.933 241.892 243.018 1.00 0.00 C +ATOM 4 CA SER A 4 287.655 244.946 242.994 1.00 0.00 C +ATOM 5 CA GLY A 5 289.156 248.036 244.642 1.00 0.00 C +ATOM 6 CA SER A 6 288.763 251.822 244.821 1.00 0.00 C +ATOM 7 CA CYS A 7 288.406 255.428 245.996 1.00 0.00 C +ATOM 8 CA GLY A 8 288.546 256.307 249.700 1.00 0.00 C +ATOM 9 CA SER A 9 289.596 259.545 251.411 1.00 0.00 C +ATOM 10 CA SER A 10 286.532 261.339 252.792 1.00 0.00 C +ATOM 11 CA ALA A 11 287.932 263.775 255.367 1.00 0.00 C +ATOM 12 CA PRO A 12 290.816 263.147 257.775 1.00 0.00 C +ATOM 13 CA ALA A 13 289.881 260.654 260.501 1.00 0.00 C +ATOM 14 CA PRO A 14 287.950 257.370 260.474 1.00 0.00 C +ATOM 15 CA ALA A 15 285.706 254.392 261.256 1.00 0.00 C +ATOM 16 CA PRO A 16 282.700 253.710 263.496 1.00 0.00 C +ATOM 17 CA ARG A 17 279.216 252.399 262.686 1.00 0.00 C +ATOM 18 CA GLY A 18 278.907 251.791 258.938 1.00 0.00 C +ATOM 19 CA ARG A 19 281.672 250.607 256.598 1.00 0.00 C +ATOM 20 CA ARG A 20 280.414 249.085 253.340 1.00 0.00 C +ATOM 21 CA ALA A 21 279.058 249.741 249.840 1.00 0.00 C +ATOM 22 CA ALA A 22 277.163 249.332 246.560 1.00 0.00 C +ATOM 23 CA ARG A 23 273.514 248.918 247.576 1.00 0.00 C +ATOM 24 CA LEU A 24 271.757 246.038 249.345 1.00 0.00 C +ATOM 25 CA ARG A 25 273.354 242.780 250.508 1.00 0.00 C +ATOM 26 CA GLY A 26 275.381 239.736 249.440 1.00 0.00 C +ATOM 27 CA ARG A 27 278.340 237.737 248.110 1.00 0.00 C +ATOM 28 CA ARG A 28 280.487 234.851 246.854 1.00 0.00 C +ATOM 29 CA ARG A 29 283.927 234.879 248.491 1.00 0.00 C +ATOM 30 CA GLY A 30 283.494 236.501 251.911 1.00 0.00 C +ATOM 31 CA ALA A 31 281.591 234.519 254.550 1.00 0.00 C +ATOM 32 CA ARG A 32 283.546 231.326 255.258 1.00 0.00 C +ATOM 33 CA ALA A 33 284.334 228.198 257.285 1.00 0.00 C +ATOM 34 CA ASP A 34 286.307 225.293 258.763 1.00 0.00 C +ATOM 35 CA GLY A 35 284.861 222.878 261.330 1.00 0.00 C +ATOM 36 CA ALA A 36 284.682 223.558 265.075 1.00 0.00 C +ATOM 37 CA PRO A 37 281.033 224.013 266.071 1.00 0.00 C +ATOM 38 CA ARG A 38 280.194 223.797 269.781 1.00 0.00 C +ATOM 39 CA SER A 39 278.344 220.610 270.752 1.00 0.00 C +ATOM 40 CA GLY A 40 275.049 219.092 271.916 1.00 0.00 C +ATOM 41 CA GLY A 41 271.359 220.026 271.769 1.00 0.00 C +ATOM 42 CA ARG A 42 270.117 220.846 275.276 1.00 0.00 C +ATOM 43 CA SER A 43 269.759 218.804 278.473 1.00 0.00 C +ATOM 44 CA ALA A 44 267.736 217.160 281.251 1.00 0.00 C +ATOM 45 CA CYS A 45 264.443 215.958 279.758 1.00 0.00 C +ATOM 46 CA GLY A 46 263.285 217.326 276.396 1.00 0.00 C +ATOM 47 CA CYS A 47 259.483 217.226 276.185 1.00 0.00 C +ATOM 48 CA PRO A 48 255.693 216.991 276.496 1.00 0.00 C +ATOM 49 CA VAL A 49 252.716 217.684 278.770 1.00 0.00 C +ATOM 50 CA GLY A 50 252.963 217.432 282.564 1.00 0.00 C +ATOM 51 CA ALA A 51 251.972 219.150 285.817 1.00 0.00 C +ATOM 52 CA GLY A 52 248.804 221.121 285.045 1.00 0.00 C +ATOM 53 CA ASP A 53 247.325 224.131 283.237 1.00 0.00 C +ATOM 54 CA CYS A 54 246.641 226.828 280.635 1.00 0.00 C +ATOM 55 CA SER A 55 247.298 226.299 276.919 1.00 0.00 C +ATOM 56 CA GLY A 56 245.489 223.131 275.821 1.00 0.00 C +ATOM 57 CA ARG A 57 241.988 221.651 276.086 1.00 0.00 C +ATOM 58 CA LEU A 58 238.525 222.233 274.608 1.00 0.00 C +ATOM 59 CA PRO A 59 234.941 221.465 273.567 1.00 0.00 C +ATOM 60 CA GLY A 60 233.413 224.610 272.054 1.00 0.00 C +ATOM 61 CA PRO A 61 233.585 227.557 274.462 1.00 0.00 C +ATOM 62 CA ALA A 62 233.686 231.352 274.144 1.00 0.00 C +ATOM 63 CA PRO A 63 230.638 232.584 272.218 1.00 0.00 C +ATOM 64 CA LEU A 64 227.740 234.742 271.008 1.00 0.00 C +ATOM 65 CA ALA A 65 224.557 236.566 269.979 1.00 0.00 C +ATOM 66 CA HIS A 66 222.601 238.225 267.162 1.00 0.00 C +ATOM 67 CA SER A 67 219.121 239.735 267.518 1.00 0.00 C +ATOM 68 CA ARG A 68 219.777 243.301 268.687 1.00 0.00 C +ATOM 69 CA ARG A 69 221.014 245.894 266.184 1.00 0.00 C +ATOM 70 CA CYS A 70 224.179 246.168 264.081 1.00 0.00 C +ATOM 71 CA SER A 71 226.726 245.834 261.268 1.00 0.00 C +ATOM 72 CA ARG A 72 226.860 243.697 258.116 1.00 0.00 C +ATOM 73 CA GLN A 73 229.696 244.599 255.737 1.00 0.00 C +ATOM 74 CA PRO A 74 232.974 243.229 254.360 1.00 0.00 C +ATOM 75 CA ARG A 75 235.497 243.224 251.505 1.00 0.00 C +ATOM 76 CA ARG A 76 235.890 239.929 249.633 1.00 0.00 C +ATOM 77 CA TRP A 77 236.138 240.520 245.877 1.00 0.00 C +ATOM 78 CA ARG A 78 238.336 242.722 243.678 1.00 0.00 C +ATOM 79 CA ARG A 79 237.547 245.148 240.848 1.00 0.00 C +ATOM 80 CA ALA A 80 234.577 247.532 240.747 1.00 0.00 C +ATOM 81 CA GLY A 81 230.929 247.108 241.760 1.00 0.00 C +ATOM 82 CA ARG A 82 228.363 246.697 238.974 1.00 0.00 C +ATOM 83 CA ARG A 83 225.047 248.483 238.397 1.00 0.00 C +ATOM 84 CA ALA A 84 224.724 250.822 235.407 1.00 0.00 C +ATOM 85 CA ALA A 85 226.834 252.241 232.570 1.00 0.00 C +ATOM 86 CA ALA A 86 230.632 252.507 232.714 1.00 0.00 C +ATOM 87 CA GLY A 87 233.176 255.300 233.212 1.00 0.00 C +ATOM 88 CA ARG A 88 236.570 253.773 234.027 1.00 0.00 C +ATOM 89 CA ALA A 89 239.734 255.893 233.911 1.00 0.00 C +ATOM 90 CA ARG A 90 241.142 259.433 233.871 1.00 0.00 C +ATOM 91 CA ALA A 91 241.299 261.049 230.424 1.00 0.00 C +ATOM 92 CA LEU A 92 243.168 259.309 227.596 1.00 0.00 C +ATOM 93 CA ALA A 93 242.004 255.704 227.191 1.00 0.00 C +ATOM 94 CA PRO A 94 240.038 252.502 227.823 1.00 0.00 C +ATOM 95 CA GLY A 95 236.284 251.849 227.859 1.00 0.00 C +ATOM 96 CA THR A 96 234.153 254.799 226.729 1.00 0.00 C +ATOM 97 CA GLY A 97 230.481 255.761 227.050 1.00 0.00 C +ATOM 98 CA ASP A 98 227.466 257.124 228.939 1.00 0.00 C +ATOM 99 CA ARG A 99 226.121 260.601 229.727 1.00 0.00 C +ATOM 100 CA PRO A 100 223.996 263.036 227.709 1.00 0.00 C +ATOM 101 CA GLY A 101 221.927 264.909 230.303 1.00 0.00 C +ATOM 102 CA GLY A 102 222.694 267.863 232.583 1.00 0.00 C +ATOM 103 CA ARG A 103 226.260 268.859 233.485 1.00 0.00 C +ATOM 104 CA PRO A 104 229.747 270.198 232.733 1.00 0.00 C +ATOM 105 CA ALA A 105 231.987 271.584 229.980 1.00 0.00 C +ATOM 106 CA ALA A 106 231.484 270.894 226.267 1.00 0.00 C +ATOM 107 CA VAL A 107 229.561 271.605 223.056 1.00 0.00 C +ATOM 108 CA TRP A 108 226.317 273.534 223.577 1.00 0.00 C +ATOM 109 CA ALA A 109 224.250 273.969 220.405 1.00 0.00 C +ATOM 110 CA ALA A 110 221.148 275.852 219.245 1.00 0.00 C +ATOM 111 CA VAL A 111 217.743 275.033 220.746 1.00 0.00 C +ATOM 112 CA ALA A 112 217.256 271.608 222.343 1.00 0.00 C +ATOM 113 CA ALA A 113 217.666 270.842 226.053 1.00 0.00 C +ATOM 114 CA THR A 114 216.538 270.421 229.667 1.00 0.00 C +ATOM 115 CA ALA A 115 217.225 271.287 233.314 1.00 0.00 C +ATOM 116 CA ALA A 116 218.105 270.903 237.001 1.00 0.00 C +ATOM 117 CA THR A 117 221.466 270.921 238.795 1.00 0.00 C +ATOM 118 CA PRO A 118 224.021 271.530 241.554 1.00 0.00 C +ATOM 119 CA THR A 119 227.373 273.342 241.530 1.00 0.00 C +ATOM 120 CA CYS A 120 229.645 276.155 242.732 1.00 0.00 C +ATOM 121 CA SER A 121 230.785 276.466 246.355 1.00 0.00 C +ATOM 122 CA PRO A 122 231.132 275.396 249.995 1.00 0.00 C +ATOM 123 CA ALA A 123 232.610 274.064 253.244 1.00 0.00 C +ATOM 124 CA SER A 124 235.566 271.720 253.773 1.00 0.00 C +ATOM 125 CA SER A 125 237.047 268.791 255.708 1.00 0.00 C +ATOM 126 CA ALA A 126 240.093 266.923 254.386 1.00 0.00 C +ATOM 127 CA GLY A 127 242.444 263.966 253.885 1.00 0.00 C +ATOM 128 CA PRO A 128 241.859 260.411 255.124 1.00 0.00 C +ATOM 129 CA VAL A 129 240.683 256.844 254.486 1.00 0.00 C +ATOM 130 CA GLU A 130 239.949 255.318 251.073 1.00 0.00 C +ATOM 131 CA GLY A 131 238.627 258.164 248.912 1.00 0.00 C +ATOM 132 CA ASP A 132 236.910 260.056 246.085 1.00 0.00 C +ATOM 133 CA ARG A 133 233.325 259.207 245.115 1.00 0.00 C +ATOM 134 CA ARG A 134 233.419 256.161 242.829 1.00 0.00 C +ATOM 135 CA ALA A 135 230.323 253.963 242.510 1.00 0.00 C +ATOM 136 CA SER A 136 228.053 252.335 245.101 1.00 0.00 C +ATOM 137 CA CYS A 137 229.549 252.494 248.602 1.00 0.00 C +ATOM 138 CA LEU A 138 232.845 250.714 249.294 1.00 0.00 C +ATOM 139 CA PRO A 139 235.619 250.360 246.705 1.00 0.00 C +ATOM 140 CA HIS A 140 239.236 250.608 245.536 1.00 0.00 C +ATOM 141 CA ARG A 141 239.847 253.492 243.123 1.00 0.00 C +ATOM 142 CA ASN A 142 241.994 251.951 240.378 1.00 0.00 C +ATOM 143 CA SER A 143 245.715 251.192 240.696 1.00 0.00 C +ATOM 144 CA ARG A 144 247.554 254.521 240.463 1.00 0.00 C +ATOM 145 CA SER A 145 249.466 257.601 241.636 1.00 0.00 C +ATOM 146 CA SER A 146 252.973 258.374 242.909 1.00 0.00 C +ATOM 147 CA PRO A 147 255.283 261.374 243.330 1.00 0.00 C +ATOM 148 CA ALA A 148 258.121 263.831 242.679 1.00 0.00 C +ATOM 149 CA PRO A 149 257.039 267.479 242.484 1.00 0.00 C +ATOM 150 CA THR A 150 259.177 270.354 241.188 1.00 0.00 C +ATOM 151 CA PRO A 151 262.542 271.576 242.490 1.00 0.00 C +ATOM 152 CA ARG A 152 264.009 273.906 245.124 1.00 0.00 C +ATOM 153 CA ALA A 153 267.095 274.344 247.315 1.00 0.00 C +ATOM 154 CA SER A 154 269.298 277.247 246.201 1.00 0.00 C +ATOM 155 CA GLU A 155 270.871 278.303 242.896 1.00 0.00 C +ATOM 156 CA PRO A 156 269.107 276.464 240.064 1.00 0.00 C +ATOM 157 CA ILE A 157 268.461 273.652 237.575 1.00 0.00 C +ATOM 158 CA LEU A 158 267.989 274.107 233.822 1.00 0.00 C +ATOM 159 CA PRO A 159 270.306 273.308 230.905 1.00 0.00 C +TER 160 PRO A 159 +END diff --git a/Mammals/Q3UTH6/Q3UTH6.dcd b/Mammals/Q3UTH6/Q3UTH6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..478bfda59b921f1b2436aa1b62048b1819bb1176 --- /dev/null +++ b/Mammals/Q3UTH6/Q3UTH6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:54eeacc45b7da1afa7e9da406e1e2ae21a5f2bb47df2356c7a251cdaf3ee3f41 +size 6560276 diff --git a/Mammals/Q3UTH6/top.pdb b/Mammals/Q3UTH6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..600bca5e4792c5768f46e5f307e8aeccc918b5c5 --- /dev/null +++ b/Mammals/Q3UTH6/top.pdb @@ -0,0 +1,52 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLY A 1 236.221 258.849 244.337 1.00 0.00 C +ATOM 2 CA HIS A 2 238.113 256.083 246.149 1.00 0.00 C +ATOM 3 CA PRO A 3 240.033 252.885 245.369 1.00 0.00 C +ATOM 4 CA PRO A 4 239.830 249.326 244.025 1.00 0.00 C +ATOM 5 CA MET A 5 241.435 246.187 242.580 1.00 0.00 C +ATOM 6 CA ASP A 6 243.518 243.960 244.864 1.00 0.00 C +ATOM 7 CA ASP A 7 246.882 242.171 244.836 1.00 0.00 C +ATOM 8 CA VAL A 8 248.069 238.992 243.105 1.00 0.00 C +ATOM 9 CA TYR A 9 245.340 236.419 243.775 1.00 0.00 C +ATOM 10 CA ALA A 10 243.898 233.352 245.515 1.00 0.00 C +ATOM 11 CA PRO A 11 242.115 231.961 248.581 1.00 0.00 C +ATOM 12 CA GLY A 12 241.419 232.672 252.259 1.00 0.00 C +ATOM 13 CA GLU A 13 238.596 235.205 252.623 1.00 0.00 C +ATOM 14 CA LEU A 14 238.358 237.220 249.399 1.00 0.00 C +ATOM 15 CA GLY A 15 235.600 238.808 247.304 1.00 0.00 C +ATOM 16 CA PRO A 16 237.094 241.619 245.211 1.00 0.00 C +ATOM 17 CA GLY A 17 235.293 244.826 244.216 1.00 0.00 C +ATOM 18 CA GLY A 18 232.065 245.587 246.091 1.00 0.00 C +ATOM 19 CA GLY A 19 229.090 246.684 243.979 1.00 0.00 C +ATOM 20 CA SER A 20 229.094 245.574 240.334 1.00 0.00 C +ATOM 21 CA ALA A 21 232.033 243.431 239.200 1.00 0.00 C +ATOM 22 CA SER A 22 234.980 242.107 237.180 1.00 0.00 C +ATOM 23 CA PRO A 23 238.771 241.834 236.918 1.00 0.00 C +ATOM 24 CA PRO A 24 242.341 241.973 238.241 1.00 0.00 C +ATOM 25 CA SER A 25 245.591 243.907 237.778 1.00 0.00 C +ATOM 26 CA ALA A 26 247.788 243.960 234.666 1.00 0.00 C +ATOM 27 CA PRO A 27 251.288 245.022 235.733 1.00 0.00 C +ATOM 28 CA PRO A 28 254.155 247.434 235.042 1.00 0.00 C +ATOM 29 CA PRO A 29 256.787 250.042 235.930 1.00 0.00 C +ATOM 30 CA PRO A 30 258.259 252.336 238.592 1.00 0.00 C +ATOM 31 CA PRO A 31 260.244 252.493 241.840 1.00 0.00 C +ATOM 32 CA PRO A 32 261.078 254.995 244.590 1.00 0.00 C +ATOM 33 CA ALA A 33 263.519 256.058 247.315 1.00 0.00 C +ATOM 34 CA ALA A 34 261.344 257.538 250.070 1.00 0.00 C +ATOM 35 CA LEU A 35 262.796 257.965 253.567 1.00 0.00 C +ATOM 36 CA HIS A 36 260.725 260.320 255.731 1.00 0.00 C +ATOM 37 CA HIS A 37 260.170 260.353 259.501 1.00 0.00 C +ATOM 38 CA HIS A 38 262.385 262.030 262.108 1.00 0.00 C +ATOM 39 CA HIS A 39 263.113 264.473 264.939 1.00 0.00 C +ATOM 40 CA HIS A 40 265.806 267.168 264.947 1.00 0.00 C +ATOM 41 CA HIS A 41 268.930 268.676 266.524 1.00 0.00 C +ATOM 42 CA THR A 42 270.754 268.258 269.843 1.00 0.00 C +ATOM 43 CA LEU A 43 271.678 264.824 271.210 1.00 0.00 C +ATOM 44 CA PRO A 44 269.806 261.740 272.435 1.00 0.00 C +ATOM 45 CA GLY A 45 267.346 259.627 270.435 1.00 0.00 C +ATOM 46 CA SER A 46 263.811 260.291 271.691 1.00 0.00 C +ATOM 47 CA VAL A 47 261.780 257.470 273.251 1.00 0.00 C +ATOM 48 CA GLN A 48 260.656 255.298 276.173 1.00 0.00 C +TER 49 GLN A 48 +END diff --git a/Mammals/Q3UU22/Q3UU22.dcd b/Mammals/Q3UU22/Q3UU22.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a12cc5374d27d7c6153f39294195e1f967b5cc45 --- /dev/null +++ b/Mammals/Q3UU22/Q3UU22.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9d4c6671c36f7051c67f1d1b6e7995ca55bfe3431cc5737e76e40eb92fe1ba38 +size 12800276 diff --git a/Mammals/Q3UU22/top.pdb b/Mammals/Q3UU22/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c532c525f0cb458c79403993c0f4de0ee98276da --- /dev/null +++ b/Mammals/Q3UU22/top.pdb @@ -0,0 +1,104 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 300.845 211.646 294.362 1.00 0.00 C +ATOM 2 CA LEU A 2 300.060 209.737 291.160 1.00 0.00 C +ATOM 3 CA LEU A 3 300.150 207.738 287.918 1.00 0.00 C +ATOM 4 CA GLU A 4 298.337 204.396 287.682 1.00 0.00 C +ATOM 5 CA GLU A 5 295.419 202.191 286.612 1.00 0.00 C +ATOM 6 CA ILE A 6 292.731 200.394 284.596 1.00 0.00 C +ATOM 7 CA LYS A 7 292.101 196.872 283.289 1.00 0.00 C +ATOM 8 CA ALA A 8 290.729 194.443 280.694 1.00 0.00 C +ATOM 9 CA ASN A 9 292.776 191.684 279.046 1.00 0.00 C +ATOM 10 CA LEU A 10 296.184 193.172 278.220 1.00 0.00 C +ATOM 11 CA SER A 11 298.757 195.844 277.346 1.00 0.00 C +ATOM 12 CA SER A 12 298.057 199.243 278.919 1.00 0.00 C +ATOM 13 CA ASP A 13 295.561 202.119 278.838 1.00 0.00 C +ATOM 14 CA GLU A 14 294.701 205.701 277.865 1.00 0.00 C +ATOM 15 CA ASP A 15 293.007 208.476 275.877 1.00 0.00 C +ATOM 16 CA GLY A 16 292.576 211.088 273.138 1.00 0.00 C +ATOM 17 CA SER A 17 293.779 214.428 274.519 1.00 0.00 C +ATOM 18 CA SER A 18 296.705 216.868 274.455 1.00 0.00 C +ATOM 19 CA ASP A 19 296.136 219.264 271.548 1.00 0.00 C +ATOM 20 CA ASP A 20 296.411 222.304 269.268 1.00 0.00 C +ATOM 21 CA GLU A 21 294.630 225.517 268.258 1.00 0.00 C +ATOM 22 CA PRO A 22 291.723 225.258 265.809 1.00 0.00 C +ATOM 23 CA ASP A 23 292.727 226.917 262.530 1.00 0.00 C +ATOM 24 CA GLY A 24 290.747 228.778 259.859 1.00 0.00 C +ATOM 25 CA GLY A 25 289.773 232.198 261.226 1.00 0.00 C +ATOM 26 CA GLY A 26 286.809 233.647 259.320 1.00 0.00 C +ATOM 27 CA LYS A 27 285.571 231.166 256.706 1.00 0.00 C +ATOM 28 CA LYS A 28 284.182 233.272 253.851 1.00 0.00 C +ATOM 29 CA ARG A 29 282.031 236.329 254.590 1.00 0.00 C +ATOM 30 CA ILE A 30 282.382 239.817 253.099 1.00 0.00 C +ATOM 31 CA GLY A 31 281.028 243.231 252.087 1.00 0.00 C +ATOM 32 CA LYS A 32 280.426 246.675 250.571 1.00 0.00 C +ATOM 33 CA GLN A 33 283.066 249.400 250.220 1.00 0.00 C +ATOM 34 CA SER A 34 283.678 253.110 250.835 1.00 0.00 C +ATOM 35 CA GLU A 35 282.989 256.377 248.999 1.00 0.00 C +ATOM 36 CA GLU A 36 280.614 259.223 249.880 1.00 0.00 C +ATOM 37 CA SER A 37 278.753 261.380 247.350 1.00 0.00 C +ATOM 38 CA PRO A 38 278.129 263.485 244.237 1.00 0.00 C +ATOM 39 CA ALA A 39 280.267 266.391 243.011 1.00 0.00 C +ATOM 40 CA ASP A 40 281.366 269.993 243.590 1.00 0.00 C +ATOM 41 CA ASP A 41 279.752 272.318 246.141 1.00 0.00 C +ATOM 42 CA GLY A 42 276.422 272.451 247.988 1.00 0.00 C +ATOM 43 CA GLU A 43 275.491 275.596 249.927 1.00 0.00 C +ATOM 44 CA LEU A 44 273.398 278.735 249.394 1.00 0.00 C +ATOM 45 CA ARG A 45 269.619 279.197 249.250 1.00 0.00 C +ATOM 46 CA ARG A 46 266.917 277.173 251.016 1.00 0.00 C +ATOM 47 CA GLU A 47 266.913 273.378 250.677 1.00 0.00 C +ATOM 48 CA GLN A 48 265.765 269.770 250.251 1.00 0.00 C +ATOM 49 CA LEU A 49 262.525 268.109 251.373 1.00 0.00 C +ATOM 50 CA ALA A 50 259.857 270.660 252.315 1.00 0.00 C +ATOM 51 CA VAL A 51 260.644 273.983 250.625 1.00 0.00 C +ATOM 52 CA ASN A 52 258.511 275.177 247.703 1.00 0.00 C +ATOM 53 CA GLN A 53 258.322 276.492 244.132 1.00 0.00 C +ATOM 54 CA VAL A 54 255.764 276.863 241.333 1.00 0.00 C +ATOM 55 CA ASN A 55 252.839 276.075 239.022 1.00 0.00 C +ATOM 56 CA SER A 56 249.390 274.524 238.561 1.00 0.00 C +ATOM 57 CA GLU A 57 246.999 273.461 235.792 1.00 0.00 C +ATOM 58 CA SER A 58 243.219 273.865 235.540 1.00 0.00 C +ATOM 59 CA ASP A 59 241.494 272.246 232.554 1.00 0.00 C +ATOM 60 CA SER A 60 243.272 269.060 231.459 1.00 0.00 C +ATOM 61 CA ASP A 61 242.529 265.815 229.605 1.00 0.00 C +ATOM 62 CA SER A 62 239.839 263.948 227.658 1.00 0.00 C +ATOM 63 CA GLU A 63 239.780 261.867 224.467 1.00 0.00 C +ATOM 64 CA GLU A 64 236.233 260.771 223.608 1.00 0.00 C +ATOM 65 CA SER A 65 234.103 263.815 222.766 1.00 0.00 C +ATOM 66 CA LYS A 66 231.030 265.443 221.210 1.00 0.00 C +ATOM 67 CA LYS A 67 227.404 265.871 222.301 1.00 0.00 C +ATOM 68 CA PRO A 68 226.625 264.191 225.631 1.00 0.00 C +ATOM 69 CA ARG A 69 223.497 262.056 226.044 1.00 0.00 C +ATOM 70 CA TYR A 70 222.418 258.646 227.357 1.00 0.00 C +ATOM 71 CA ARG A 71 220.485 259.396 230.554 1.00 0.00 C +ATOM 72 CA HIS A 72 217.854 259.565 233.305 1.00 0.00 C +ATOM 73 CA ARG A 73 215.915 261.546 235.918 1.00 0.00 C +ATOM 74 CA LEU A 74 215.876 263.958 238.867 1.00 0.00 C +ATOM 75 CA LEU A 75 212.393 264.108 240.404 1.00 0.00 C +ATOM 76 CA ARG A 76 209.041 265.864 240.844 1.00 0.00 C +ATOM 77 CA HIS A 77 206.526 264.968 243.562 1.00 0.00 C +ATOM 78 CA LYS A 78 203.643 265.543 245.985 1.00 0.00 C +ATOM 79 CA LEU A 79 200.560 266.669 244.050 1.00 0.00 C +ATOM 80 CA THR A 80 200.429 266.551 240.244 1.00 0.00 C +ATOM 81 CA LEU A 81 197.879 264.270 238.568 1.00 0.00 C +ATOM 82 CA SER A 82 196.550 262.015 235.799 1.00 0.00 C +ATOM 83 CA ASP A 83 194.399 259.276 237.344 1.00 0.00 C +ATOM 84 CA GLY A 84 191.940 257.349 235.164 1.00 0.00 C +ATOM 85 CA GLU A 85 188.520 258.995 234.835 1.00 0.00 C +ATOM 86 CA SER A 86 187.562 262.599 234.055 1.00 0.00 C +ATOM 87 CA GLY A 87 184.560 263.777 232.026 1.00 0.00 C +ATOM 88 CA GLU A 88 181.248 265.088 233.378 1.00 0.00 C +ATOM 89 CA GLU A 89 182.132 267.630 236.075 1.00 0.00 C +ATOM 90 CA LYS A 90 185.261 267.994 238.219 1.00 0.00 C +ATOM 91 CA PRO A 91 187.320 270.901 239.570 1.00 0.00 C +ATOM 92 CA THR A 92 190.811 269.962 240.772 1.00 0.00 C +ATOM 93 CA LYS A 93 192.900 266.784 240.997 1.00 0.00 C +ATOM 94 CA PRO A 94 191.890 265.143 244.283 1.00 0.00 C +ATOM 95 CA LYS A 95 192.229 261.361 243.966 1.00 0.00 C +ATOM 96 CA GLU A 96 189.037 259.281 243.969 1.00 0.00 C +ATOM 97 CA HIS A 97 186.304 259.518 241.325 1.00 0.00 C +ATOM 98 CA LYS A 98 182.902 257.806 241.207 1.00 0.00 C +ATOM 99 CA GLU A 99 180.356 260.002 243.000 1.00 0.00 C +ATOM 100 CA ALA A 100 176.996 260.749 244.633 1.00 0.00 C +TER 101 ALA A 100 +END diff --git a/Mammals/Q3UUJ1/Q3UUJ1.dcd b/Mammals/Q3UUJ1/Q3UUJ1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..293c4aed7de39cc3d4d80f1e0a77207d4095574a --- /dev/null +++ b/Mammals/Q3UUJ1/Q3UUJ1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:440f04dc6f4d6470076191ac28ee91ef6ec5de8c2cad5a8b0faae8ffdf4aa9d2 +size 13520276 diff --git a/Mammals/Q3UUJ1/top.pdb b/Mammals/Q3UUJ1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3bdef83a467fd487125fc11384fcca81cf43d051 --- /dev/null +++ b/Mammals/Q3UUJ1/top.pdb @@ -0,0 +1,110 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 225.386 244.896 291.593 1.00 0.00 C +ATOM 2 CA LYS A 2 222.410 245.843 289.410 1.00 0.00 C +ATOM 3 CA GLY A 3 219.693 247.542 291.470 1.00 0.00 C +ATOM 4 CA CYS A 4 218.322 250.552 293.362 1.00 0.00 C +ATOM 5 CA GLN A 5 215.087 252.080 292.052 1.00 0.00 C +ATOM 6 CA GLY A 6 213.939 255.622 291.244 1.00 0.00 C +ATOM 7 CA GLN A 7 211.328 258.360 290.794 1.00 0.00 C +ATOM 8 CA GLY A 8 210.984 261.631 288.872 1.00 0.00 C +ATOM 9 CA CYS A 9 210.149 264.416 286.409 1.00 0.00 C +ATOM 10 CA THR A 10 207.252 265.650 284.265 1.00 0.00 C +ATOM 11 CA ARG A 11 207.712 265.716 280.483 1.00 0.00 C +ATOM 12 CA ARG A 12 209.314 268.896 279.130 1.00 0.00 C +ATOM 13 CA ARG A 13 211.632 270.067 276.341 1.00 0.00 C +ATOM 14 CA ARG A 14 215.206 270.487 275.089 1.00 0.00 C +ATOM 15 CA GLU A 15 218.614 269.108 274.092 1.00 0.00 C +ATOM 16 CA ALA A 16 219.645 265.656 272.852 1.00 0.00 C +ATOM 17 CA LYS A 17 223.045 264.080 273.543 1.00 0.00 C +ATOM 18 CA ALA A 18 226.542 263.902 272.042 1.00 0.00 C +ATOM 19 CA SER A 19 228.495 267.052 272.924 1.00 0.00 C +ATOM 20 CA ARG A 20 228.796 268.582 276.400 1.00 0.00 C +ATOM 21 CA GLY A 21 229.124 272.229 277.453 1.00 0.00 C +ATOM 22 CA ARG A 22 232.536 273.095 278.911 1.00 0.00 C +ATOM 23 CA TRP A 23 234.657 275.606 280.837 1.00 0.00 C +ATOM 24 CA GLY A 24 237.429 277.479 279.014 1.00 0.00 C +ATOM 25 CA VAL A 25 241.221 277.622 278.673 1.00 0.00 C +ATOM 26 CA ALA A 26 243.854 276.158 276.341 1.00 0.00 C +ATOM 27 CA GLY A 27 246.150 273.645 274.631 1.00 0.00 C +ATOM 28 CA CYS A 28 246.442 272.618 270.974 1.00 0.00 C +ATOM 29 CA GLY A 29 243.906 270.436 269.150 1.00 0.00 C +ATOM 30 CA ARG A 30 244.708 269.406 265.571 1.00 0.00 C +ATOM 31 CA GLY A 31 246.433 270.247 262.279 1.00 0.00 C +ATOM 32 CA ARG A 32 244.668 269.691 258.949 1.00 0.00 C +ATOM 33 CA VAL A 33 244.749 268.125 255.477 1.00 0.00 C +ATOM 34 CA ARG A 34 247.510 268.558 252.887 1.00 0.00 C +ATOM 35 CA ALA A 35 249.327 266.018 250.704 1.00 0.00 C +ATOM 36 CA SER A 36 251.328 263.254 252.399 1.00 0.00 C +ATOM 37 CA PRO A 37 250.755 259.579 251.572 1.00 0.00 C +ATOM 38 CA PRO A 38 252.891 258.695 248.543 1.00 0.00 C +ATOM 39 CA ARG A 39 252.332 257.990 244.841 1.00 0.00 C +ATOM 40 CA LYS A 40 252.523 254.681 242.963 1.00 0.00 C +ATOM 41 CA MET A 41 251.340 251.117 242.317 1.00 0.00 C +ATOM 42 CA HIS A 42 248.121 250.743 244.320 1.00 0.00 C +ATOM 43 CA VAL A 43 244.793 250.853 246.173 1.00 0.00 C +ATOM 44 CA LEU A 44 241.185 251.559 247.171 1.00 0.00 C +ATOM 45 CA GLY A 45 237.757 250.685 248.586 1.00 0.00 C +ATOM 46 CA HIS A 46 234.265 250.361 247.097 1.00 0.00 C +ATOM 47 CA PRO A 47 232.000 251.940 244.472 1.00 0.00 C +ATOM 48 CA ALA A 48 230.466 252.545 241.037 1.00 0.00 C +ATOM 49 CA GLY A 49 226.908 252.941 239.735 1.00 0.00 C +ATOM 50 CA ARG A 50 225.809 250.847 236.748 1.00 0.00 C +ATOM 51 CA ARG A 51 228.222 250.868 233.799 1.00 0.00 C +ATOM 52 CA THR A 52 231.666 250.086 235.228 1.00 0.00 C +ATOM 53 CA GLU A 53 233.760 253.232 235.715 1.00 0.00 C +ATOM 54 CA GLY A 54 234.560 255.233 232.572 1.00 0.00 C +ATOM 55 CA ALA A 55 233.793 258.464 230.705 1.00 0.00 C +ATOM 56 CA GLY A 56 236.010 261.559 230.851 1.00 0.00 C +ATOM 57 CA CYS A 57 239.586 260.947 229.687 1.00 0.00 C +ATOM 58 CA ASN A 58 241.333 259.052 226.882 1.00 0.00 C +ATOM 59 CA VAL A 59 243.362 257.307 224.170 1.00 0.00 C +ATOM 60 CA GLU A 60 245.893 254.469 224.400 1.00 0.00 C +ATOM 61 CA ASN A 61 245.983 250.977 225.922 1.00 0.00 C +ATOM 62 CA ALA A 62 245.794 247.179 226.159 1.00 0.00 C +ATOM 63 CA HIS A 63 245.704 244.185 228.514 1.00 0.00 C +ATOM 64 CA ARG A 64 247.062 243.343 231.973 1.00 0.00 C +ATOM 65 CA GLU A 65 246.198 243.701 235.666 1.00 0.00 C +ATOM 66 CA GLY A 66 246.361 241.809 238.969 1.00 0.00 C +ATOM 67 CA ALA A 67 243.849 239.176 240.097 1.00 0.00 C +ATOM 68 CA GLN A 68 243.035 235.718 238.721 1.00 0.00 C +ATOM 69 CA ASN A 69 244.221 234.473 235.321 1.00 0.00 C +ATOM 70 CA ARG A 70 246.567 231.568 236.077 1.00 0.00 C +ATOM 71 CA ARG A 71 250.138 230.338 235.571 1.00 0.00 C +ATOM 72 CA PHE A 72 253.941 230.479 235.743 1.00 0.00 C +ATOM 73 CA ALA A 73 254.852 233.888 234.304 1.00 0.00 C +ATOM 74 CA LYS A 74 257.329 235.676 232.029 1.00 0.00 C +ATOM 75 CA CYS A 75 260.286 236.051 229.656 1.00 0.00 C +ATOM 76 CA GLN A 76 260.360 237.240 226.037 1.00 0.00 C +ATOM 77 CA GLY A 77 260.923 240.924 225.245 1.00 0.00 C +ATOM 78 CA GLN A 78 264.444 241.060 223.795 1.00 0.00 C +ATOM 79 CA THR A 79 266.598 237.933 224.105 1.00 0.00 C +ATOM 80 CA GLY A 80 268.903 235.241 225.504 1.00 0.00 C +ATOM 81 CA ARG A 81 268.727 232.523 228.168 1.00 0.00 C +ATOM 82 CA GLY A 82 266.329 233.331 231.017 1.00 0.00 C +ATOM 83 CA GLY A 83 265.929 237.060 231.690 1.00 0.00 C +ATOM 84 CA GLY A 84 267.487 240.005 233.538 1.00 0.00 C +ATOM 85 CA ARG A 85 269.901 242.322 231.715 1.00 0.00 C +ATOM 86 CA ARG A 86 273.590 241.723 230.979 1.00 0.00 C +ATOM 87 CA LEU A 87 276.437 239.192 231.078 1.00 0.00 C +ATOM 88 CA ALA A 88 280.119 240.135 231.339 1.00 0.00 C +ATOM 89 CA GLU A 89 283.308 241.710 229.973 1.00 0.00 C +ATOM 90 CA ASP A 90 286.819 241.024 231.283 1.00 0.00 C +ATOM 91 CA GLN A 91 287.768 237.417 232.058 1.00 0.00 C +ATOM 92 CA GLU A 92 289.656 235.427 234.703 1.00 0.00 C +ATOM 93 CA GLN A 93 288.437 234.892 238.273 1.00 0.00 C +ATOM 94 CA ARG A 94 288.140 231.219 239.241 1.00 0.00 C +ATOM 95 CA GLU A 95 287.621 227.683 240.561 1.00 0.00 C +ATOM 96 CA GLU A 96 287.034 223.918 240.599 1.00 0.00 C +ATOM 97 CA PRO A 97 289.415 220.974 240.179 1.00 0.00 C +ATOM 98 CA THR A 98 292.956 222.038 239.261 1.00 0.00 C +ATOM 99 CA SER A 99 295.132 224.929 240.455 1.00 0.00 C +ATOM 100 CA PRO A 100 298.161 226.989 241.501 1.00 0.00 C +ATOM 101 CA SER A 101 300.790 227.734 244.156 1.00 0.00 C +ATOM 102 CA LYS A 102 301.892 228.180 247.776 1.00 0.00 C +ATOM 103 CA GLY A 103 304.724 229.470 249.974 1.00 0.00 C +ATOM 104 CA LEU A 104 304.719 231.238 253.349 1.00 0.00 C +ATOM 105 CA PHE A 105 308.000 232.175 255.043 1.00 0.00 C +ATOM 106 CA GLY A 106 307.441 235.658 256.481 1.00 0.00 C +TER 107 GLY A 106 +END diff --git a/Mammals/Q3UUR1/Q3UUR1.dcd b/Mammals/Q3UUR1/Q3UUR1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c66f5c747583d468c417fbfe00f596a9a8d757dc --- /dev/null +++ b/Mammals/Q3UUR1/Q3UUR1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1827ba1f1e592d0ede0a587c39db59078d16706d56849ccbf5ddbdbe334f71e3 +size 18440276 diff --git a/Mammals/Q3UUR1/top.pdb b/Mammals/Q3UUR1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..48a3c6f9ee31a427577ae6709fdf729b092fed3e --- /dev/null +++ b/Mammals/Q3UUR1/top.pdb @@ -0,0 +1,151 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA SER A 1 191.314 246.919 225.133 1.00 0.00 C +ATOM 2 CA GLY A 2 189.806 247.039 221.636 1.00 0.00 C +ATOM 3 CA VAL A 3 190.776 244.436 219.028 1.00 0.00 C +ATOM 4 CA ARG A 4 193.733 244.807 216.654 1.00 0.00 C +ATOM 5 CA ARG A 5 196.337 242.197 215.694 1.00 0.00 C +ATOM 6 CA PRO A 6 199.420 239.983 216.030 1.00 0.00 C +ATOM 7 CA THR A 7 201.532 237.101 217.352 1.00 0.00 C +ATOM 8 CA ARG A 8 204.815 236.211 219.069 1.00 0.00 C +ATOM 9 CA PRO A 9 207.239 239.071 219.746 1.00 0.00 C +ATOM 10 CA ALA A 10 210.394 238.013 221.602 1.00 0.00 C +ATOM 11 CA GLY A 11 213.949 236.649 221.471 1.00 0.00 C +ATOM 12 CA PRO A 12 214.720 235.458 217.936 1.00 0.00 C +ATOM 13 CA ARG A 13 217.048 237.572 215.786 1.00 0.00 C +ATOM 14 CA THR A 14 217.047 241.379 215.939 1.00 0.00 C +ATOM 15 CA PRO A 15 219.095 243.337 218.486 1.00 0.00 C +ATOM 16 CA HIS A 16 220.229 243.743 222.101 1.00 0.00 C +ATOM 17 CA ARG A 17 220.790 246.970 224.047 1.00 0.00 C +ATOM 18 CA CYS A 18 222.587 245.907 227.235 1.00 0.00 C +ATOM 19 CA SER A 19 224.108 247.290 230.442 1.00 0.00 C +ATOM 20 CA VAL A 20 227.144 247.735 232.701 1.00 0.00 C +ATOM 21 CA PRO A 21 226.004 249.979 235.561 1.00 0.00 C +ATOM 22 CA ALA A 22 222.967 248.315 237.150 1.00 0.00 C +ATOM 23 CA ALA A 23 221.523 249.017 240.605 1.00 0.00 C +ATOM 24 CA GLY A 24 221.921 246.590 243.515 1.00 0.00 C +ATOM 25 CA PRO A 25 225.496 247.157 244.705 1.00 0.00 C +ATOM 26 CA ARG A 26 226.967 250.671 244.779 1.00 0.00 C +ATOM 27 CA ARG A 27 228.366 251.353 241.302 1.00 0.00 C +ATOM 28 CA ARG A 28 231.142 253.962 241.337 1.00 0.00 C +ATOM 29 CA ARG A 29 232.977 257.296 241.532 1.00 0.00 C +ATOM 30 CA GLU A 30 234.251 260.113 239.306 1.00 0.00 C +ATOM 31 CA ARG A 31 236.594 263.116 239.410 1.00 0.00 C +ATOM 32 CA ALA A 32 239.912 264.989 239.440 1.00 0.00 C +ATOM 33 CA PRO A 33 240.655 268.543 238.287 1.00 0.00 C +ATOM 34 CA PRO A 34 237.802 271.022 238.770 1.00 0.00 C +ATOM 35 CA ARG A 35 237.594 274.727 239.634 1.00 0.00 C +ATOM 36 CA ASN A 36 237.585 277.556 237.082 1.00 0.00 C +ATOM 37 CA PRO A 37 238.928 280.529 235.114 1.00 0.00 C +ATOM 38 CA ARG A 38 241.605 281.640 232.641 1.00 0.00 C +ATOM 39 CA ALA A 39 245.198 282.631 231.849 1.00 0.00 C +ATOM 40 CA SER A 40 247.663 279.756 231.431 1.00 0.00 C +ATOM 41 CA GLY A 41 247.597 276.955 234.012 1.00 0.00 C +ATOM 42 CA ALA A 42 247.603 275.622 237.582 1.00 0.00 C +ATOM 43 CA ARG A 43 245.481 277.960 239.714 1.00 0.00 C +ATOM 44 CA THR A 44 246.852 280.464 242.238 1.00 0.00 C +ATOM 45 CA ALA A 45 250.040 278.863 243.576 1.00 0.00 C +ATOM 46 CA ARG A 46 253.551 278.034 244.800 1.00 0.00 C +ATOM 47 CA ARG A 47 254.940 276.521 248.009 1.00 0.00 C +ATOM 48 CA ARG A 48 252.720 277.433 250.968 1.00 0.00 C +ATOM 49 CA LYS A 49 249.772 275.829 252.771 1.00 0.00 C +ATOM 50 CA GLY A 50 246.794 278.193 253.020 1.00 0.00 C +ATOM 51 CA SER A 51 247.772 281.875 253.068 1.00 0.00 C +ATOM 52 CA PHE A 52 245.377 284.548 254.349 1.00 0.00 C +ATOM 53 CA ARG A 53 245.802 285.175 258.083 1.00 0.00 C +ATOM 54 CA PRO A 54 244.767 282.500 260.590 1.00 0.00 C +ATOM 55 CA SER A 55 244.110 278.943 259.393 1.00 0.00 C +ATOM 56 CA ALA A 56 242.899 275.370 258.862 1.00 0.00 C +ATOM 57 CA GLY A 57 243.248 271.590 259.189 1.00 0.00 C +ATOM 58 CA CYS A 58 241.281 268.342 259.502 1.00 0.00 C +ATOM 59 CA GLY A 59 241.648 265.703 262.226 1.00 0.00 C +ATOM 60 CA CYS A 60 243.020 264.576 265.597 1.00 0.00 C +ATOM 61 CA PRO A 61 242.697 261.550 267.888 1.00 0.00 C +ATOM 62 CA GLY A 62 245.759 259.298 267.622 1.00 0.00 C +ATOM 63 CA CYS A 63 244.816 256.569 265.135 1.00 0.00 C +ATOM 64 CA PRO A 64 242.342 255.026 262.684 1.00 0.00 C +ATOM 65 CA GLY A 65 244.403 252.447 260.783 1.00 0.00 C +ATOM 66 CA ALA A 66 246.419 254.356 258.174 1.00 0.00 C +ATOM 67 CA SER A 67 250.032 254.036 257.008 1.00 0.00 C +ATOM 68 CA SER A 68 252.667 251.322 256.557 1.00 0.00 C +ATOM 69 CA PRO A 69 253.052 247.539 256.798 1.00 0.00 C +ATOM 70 CA SER A 70 251.052 246.117 253.883 1.00 0.00 C +ATOM 71 CA GLY A 71 251.377 244.632 250.390 1.00 0.00 C +ATOM 72 CA PRO A 72 253.306 241.356 250.132 1.00 0.00 C +ATOM 73 CA VAL A 73 251.386 238.432 248.622 1.00 0.00 C +ATOM 74 CA PRO A 74 251.050 238.821 244.847 1.00 0.00 C +ATOM 75 CA SER A 75 248.551 241.365 243.506 1.00 0.00 C +ATOM 76 CA LEU A 76 247.893 242.571 239.952 1.00 0.00 C +ATOM 77 CA ASN A 77 246.568 241.133 236.682 1.00 0.00 C +ATOM 78 CA ARG A 78 243.005 240.849 235.363 1.00 0.00 C +ATOM 79 CA ARG A 79 240.940 243.812 236.574 1.00 0.00 C +ATOM 80 CA SER A 80 239.340 247.270 236.589 1.00 0.00 C +ATOM 81 CA ALA A 81 238.236 249.113 233.443 1.00 0.00 C +ATOM 82 CA HIS A 82 239.948 252.098 231.808 1.00 0.00 C +ATOM 83 CA GLY A 83 242.183 255.068 230.969 1.00 0.00 C +ATOM 84 CA LYS A 84 244.678 255.287 233.841 1.00 0.00 C +ATOM 85 CA GLY A 85 244.423 258.252 236.220 1.00 0.00 C +ATOM 86 CA ARG A 86 244.800 260.469 239.295 1.00 0.00 C +ATOM 87 CA ARG A 87 245.383 259.742 242.989 1.00 0.00 C +ATOM 88 CA LYS A 88 247.697 261.573 245.399 1.00 0.00 C +ATOM 89 CA PRO A 89 250.112 264.438 244.711 1.00 0.00 C +ATOM 90 CA ASP A 90 253.218 266.367 245.783 1.00 0.00 C +ATOM 91 CA HIS A 91 254.996 268.979 247.912 1.00 0.00 C +ATOM 92 CA PRO A 92 257.179 270.017 250.858 1.00 0.00 C +ATOM 93 CA GLU A 93 259.894 267.441 251.573 1.00 0.00 C +ATOM 94 CA ARG A 94 262.952 269.355 252.798 1.00 0.00 C +ATOM 95 CA LEU A 95 262.092 271.928 255.473 1.00 0.00 C +ATOM 96 CA PRO A 96 261.580 272.321 259.228 1.00 0.00 C +ATOM 97 CA GLY A 97 264.789 271.551 261.133 1.00 0.00 C +ATOM 98 CA SER A 98 266.862 269.710 263.747 1.00 0.00 C +ATOM 99 CA PRO A 99 269.376 270.355 266.536 1.00 0.00 C +ATOM 100 CA GLY A 100 269.050 270.192 270.329 1.00 0.00 C +ATOM 101 CA HIS A 101 271.463 268.478 272.728 1.00 0.00 C +ATOM 102 CA ARG A 102 270.816 264.726 272.590 1.00 0.00 C +ATOM 103 CA SER A 103 272.695 262.534 270.103 1.00 0.00 C +ATOM 104 CA PRO A 104 272.318 262.315 266.318 1.00 0.00 C +ATOM 105 CA GLN A 105 269.175 262.404 264.166 1.00 0.00 C +ATOM 106 CA GLY A 106 265.659 263.596 265.020 1.00 0.00 C +ATOM 107 CA ALA A 107 263.044 260.863 264.560 1.00 0.00 C +ATOM 108 CA ALA A 108 261.362 258.011 262.675 1.00 0.00 C +ATOM 109 CA ASP A 109 260.271 256.819 259.225 1.00 0.00 C +ATOM 110 CA ALA A 110 261.320 254.527 256.368 1.00 0.00 C +ATOM 111 CA SER A 111 264.697 252.828 255.888 1.00 0.00 C +ATOM 112 CA ARG A 112 266.605 251.864 259.041 1.00 0.00 C +ATOM 113 CA THR A 113 267.328 248.253 260.017 1.00 0.00 C +ATOM 114 CA GLY A 114 266.627 246.218 256.873 1.00 0.00 C +ATOM 115 CA GLY A 115 267.544 242.714 255.691 1.00 0.00 C +ATOM 116 CA ARG A 116 268.626 240.601 252.712 1.00 0.00 C +ATOM 117 CA GLY A 117 267.805 238.439 249.683 1.00 0.00 C +ATOM 118 CA ARG A 118 267.411 234.773 250.639 1.00 0.00 C +ATOM 119 CA GLU A 119 265.308 231.916 252.031 1.00 0.00 C +ATOM 120 CA ARG A 120 265.119 232.509 255.790 1.00 0.00 C +ATOM 121 CA PRO A 121 264.612 229.773 258.392 1.00 0.00 C +ATOM 122 CA ALA A 122 267.401 227.242 258.961 1.00 0.00 C +ATOM 123 CA HIS A 123 271.191 227.105 258.595 1.00 0.00 C +ATOM 124 CA GLY A 124 274.250 224.849 258.864 1.00 0.00 C +ATOM 125 CA ALA A 125 274.270 222.070 261.471 1.00 0.00 C +ATOM 126 CA GLN A 126 277.040 219.476 261.134 1.00 0.00 C +ATOM 127 CA ALA A 127 280.010 220.802 263.119 1.00 0.00 C +ATOM 128 CA SER A 128 283.134 219.315 264.715 1.00 0.00 C +ATOM 129 CA THR A 129 283.878 216.116 266.646 1.00 0.00 C +ATOM 130 CA ALA A 130 285.932 215.855 269.844 1.00 0.00 C +ATOM 131 CA SER A 131 287.082 213.218 272.342 1.00 0.00 C +ATOM 132 CA PRO A 132 289.429 210.835 270.519 1.00 0.00 C +ATOM 133 CA PRO A 133 290.750 207.916 272.581 1.00 0.00 C +ATOM 134 CA GLN A 134 294.327 206.612 272.715 1.00 0.00 C +ATOM 135 CA PRO A 135 296.387 208.203 275.497 1.00 0.00 C +ATOM 136 CA LEU A 136 297.233 210.382 278.506 1.00 0.00 C +ATOM 137 CA ARG A 137 294.572 212.537 280.177 1.00 0.00 C +ATOM 138 CA VAL A 138 290.988 212.592 278.887 1.00 0.00 C +ATOM 139 CA ARG A 139 287.591 214.312 279.029 1.00 0.00 C +ATOM 140 CA ARG A 140 283.908 213.400 278.681 1.00 0.00 C +ATOM 141 CA LEU A 141 281.868 210.182 278.682 1.00 0.00 C +ATOM 142 CA THR A 142 278.671 210.884 280.632 1.00 0.00 C +ATOM 143 CA THR A 143 275.086 211.626 279.576 1.00 0.00 C +ATOM 144 CA GLY A 144 272.256 213.781 278.210 1.00 0.00 C +ATOM 145 CA SER A 145 272.128 215.980 275.101 1.00 0.00 C +ATOM 146 CA HIS A 146 270.828 219.379 276.231 1.00 0.00 C +ATOM 147 CA GLY A 147 271.376 223.142 276.459 1.00 0.00 C +TER 148 GLY A 147 +END diff --git a/Mammals/Q3UUS9/Q3UUS9.dcd b/Mammals/Q3UUS9/Q3UUS9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8f7689aa132a4abd1897506e27c747133febbc35 --- /dev/null +++ b/Mammals/Q3UUS9/Q3UUS9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f0cb3c43253751ddfae6ef311b93f01dbe417129f108736f72318a0c30689d94 +size 7880276 diff --git a/Mammals/Q3UUS9/top.pdb b/Mammals/Q3UUS9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8024613b823d9c777f57884fc65db5ede5a27399 --- /dev/null +++ b/Mammals/Q3UUS9/top.pdb @@ -0,0 +1,63 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ARG A 1 254.629 206.811 252.619 1.00 0.00 C +ATOM 2 CA ARG A 2 252.629 210.008 253.162 1.00 0.00 C +ATOM 3 CA HIS A 3 251.939 213.142 255.215 1.00 0.00 C +ATOM 4 CA ARG A 4 251.787 214.832 258.626 1.00 0.00 C +ATOM 5 CA SER A 5 255.151 216.587 258.975 1.00 0.00 C +ATOM 6 CA ARG A 6 257.803 216.644 256.240 1.00 0.00 C +ATOM 7 CA SER A 7 257.051 216.512 252.508 1.00 0.00 C +ATOM 8 CA MET A 8 255.466 219.415 250.618 1.00 0.00 C +ATOM 9 CA SER A 9 252.650 221.891 249.940 1.00 0.00 C +ATOM 10 CA ARG A 10 250.633 221.870 246.708 1.00 0.00 C +ATOM 11 CA GLU A 11 252.157 222.410 243.258 1.00 0.00 C +ATOM 12 CA ARG A 12 252.051 226.178 242.703 1.00 0.00 C +ATOM 13 CA LYS A 13 253.928 229.406 243.458 1.00 0.00 C +ATOM 14 CA ARG A 14 255.449 232.779 244.369 1.00 0.00 C +ATOM 15 CA ARG A 15 254.035 233.563 247.818 1.00 0.00 C +ATOM 16 CA THR A 16 254.568 235.594 250.998 1.00 0.00 C +ATOM 17 CA ARG A 17 252.396 238.582 251.931 1.00 0.00 C +ATOM 18 CA SER A 18 252.143 242.354 251.460 1.00 0.00 C +ATOM 19 CA LYS A 19 255.305 244.396 250.873 1.00 0.00 C +ATOM 20 CA SER A 20 254.484 248.078 251.411 1.00 0.00 C +ATOM 21 CA ARG A 21 251.066 249.759 251.512 1.00 0.00 C +ATOM 22 CA GLU A 22 250.440 252.564 249.010 1.00 0.00 C +ATOM 23 CA LYS A 23 246.655 252.642 248.577 1.00 0.00 C +ATOM 24 CA ARG A 24 244.444 254.191 251.265 1.00 0.00 C +ATOM 25 CA HIS A 25 244.393 257.087 253.740 1.00 0.00 C +ATOM 26 CA ARG A 26 243.184 260.128 255.691 1.00 0.00 C +ATOM 27 CA HIS A 27 243.837 261.521 259.176 1.00 0.00 C +ATOM 28 CA ARG A 28 244.390 260.885 262.892 1.00 0.00 C +ATOM 29 CA SER A 29 245.223 259.763 266.437 1.00 0.00 C +ATOM 30 CA ARG A 30 244.853 256.206 267.750 1.00 0.00 C +ATOM 31 CA SER A 31 244.395 253.691 264.924 1.00 0.00 C +ATOM 32 CA SER A 32 245.557 252.895 261.384 1.00 0.00 C +ATOM 33 CA SER A 33 248.255 251.916 258.879 1.00 0.00 C +ATOM 34 CA ARG A 34 250.777 254.112 257.053 1.00 0.00 C +ATOM 35 CA SER A 35 252.050 256.790 254.659 1.00 0.00 C +ATOM 36 CA ARG A 36 250.211 260.119 254.889 1.00 0.00 C +ATOM 37 CA SER A 37 251.334 263.689 254.174 1.00 0.00 C +ATOM 38 CA ARG A 38 254.786 264.677 255.449 1.00 0.00 C +ATOM 39 CA SER A 39 257.220 267.072 253.761 1.00 0.00 C +ATOM 40 CA HIS A 40 258.846 267.767 250.386 1.00 0.00 C +ATOM 41 CA GLN A 41 260.130 264.928 248.193 1.00 0.00 C +ATOM 42 CA ARG A 42 257.193 263.994 245.953 1.00 0.00 C +ATOM 43 CA SER A 43 255.604 265.255 242.728 1.00 0.00 C +ATOM 44 CA ARG A 44 251.821 265.702 242.718 1.00 0.00 C +ATOM 45 CA HIS A 45 250.094 263.080 244.877 1.00 0.00 C +ATOM 46 CA SER A 46 246.398 263.912 245.282 1.00 0.00 C +ATOM 47 CA SER A 47 245.194 263.528 248.876 1.00 0.00 C +ATOM 48 CA ARG A 48 244.101 265.850 251.692 1.00 0.00 C +ATOM 49 CA ASP A 49 242.715 269.331 252.382 1.00 0.00 C +ATOM 50 CA ARG A 50 241.933 271.064 249.080 1.00 0.00 C +ATOM 51 CA SER A 51 240.643 270.796 245.505 1.00 0.00 C +ATOM 52 CA ARG A 52 241.745 272.443 242.251 1.00 0.00 C +ATOM 53 CA GLU A 53 242.264 274.269 238.948 1.00 0.00 C +ATOM 54 CA ARG A 54 244.886 272.302 237.005 1.00 0.00 C +ATOM 55 CA SER A 55 248.688 272.086 236.888 1.00 0.00 C +ATOM 56 CA LYS A 56 249.891 269.605 234.258 1.00 0.00 C +ATOM 57 CA ARG A 57 247.180 267.904 232.190 1.00 0.00 C +ATOM 58 CA ARG A 58 245.575 264.613 233.243 1.00 0.00 C +ATOM 59 CA TYR A 59 245.772 260.813 233.435 1.00 0.00 C +TER 60 TYR A 59 +END diff --git a/Mammals/Q3UV62/Q3UV62.dcd b/Mammals/Q3UV62/Q3UV62.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e2764057f89e88cf0a26e5b6fa9b16e3641b04f5 --- /dev/null +++ b/Mammals/Q3UV62/Q3UV62.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0aaf2a350312fcfd1b7289a3123244a9a8a8f9dca3f4bf493b23aff81f9b95f4 +size 6800276 diff --git a/Mammals/Q3UV62/top.pdb b/Mammals/Q3UV62/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1ce183001e34463f331c43267aaf78c59a50225a --- /dev/null +++ b/Mammals/Q3UV62/top.pdb @@ -0,0 +1,54 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LEU A 1 225.075 241.344 244.316 1.00 0.00 C +ATOM 2 CA GLN A 2 226.579 242.567 247.595 1.00 0.00 C +ATOM 3 CA GLN A 3 228.170 245.759 248.936 1.00 0.00 C +ATOM 4 CA GLN A 4 229.492 246.566 252.417 1.00 0.00 C +ATOM 5 CA GLY A 5 229.843 249.053 255.283 1.00 0.00 C +ATOM 6 CA GLN A 6 231.204 247.076 258.242 1.00 0.00 C +ATOM 7 CA ALA A 7 233.851 248.563 260.544 1.00 0.00 C +ATOM 8 CA THR A 8 236.173 249.229 263.490 1.00 0.00 C +ATOM 9 CA GLN A 9 239.879 248.350 263.382 1.00 0.00 C +ATOM 10 CA VAL A 10 240.258 244.601 262.819 1.00 0.00 C +ATOM 11 CA ARG A 11 242.023 242.236 260.410 1.00 0.00 C +ATOM 12 CA ILE A 12 242.325 238.963 258.482 1.00 0.00 C +ATOM 13 CA GLN A 13 244.401 237.110 255.881 1.00 0.00 C +ATOM 14 CA THR A 14 247.469 237.675 253.693 1.00 0.00 C +ATOM 15 CA VAL A 15 248.554 240.799 251.801 1.00 0.00 C +ATOM 16 CA PRO A 16 245.315 242.284 250.454 1.00 0.00 C +ATOM 17 CA ALA A 17 244.909 246.072 250.444 1.00 0.00 C +ATOM 18 CA SER A 18 243.782 248.555 247.783 1.00 0.00 C +ATOM 19 CA HIS A 19 244.165 251.112 244.985 1.00 0.00 C +ATOM 20 CA LEU A 20 247.467 252.314 243.512 1.00 0.00 C +ATOM 21 CA GLN A 21 248.488 255.848 244.504 1.00 0.00 C +ATOM 22 CA GLN A 22 246.689 258.068 247.024 1.00 0.00 C +ATOM 23 CA GLY A 23 245.710 259.607 250.368 1.00 0.00 C +ATOM 24 CA THR A 24 243.836 257.788 253.142 1.00 0.00 C +ATOM 25 CA ALA A 25 245.461 258.655 256.477 1.00 0.00 C +ATOM 26 CA SER A 26 243.819 256.608 259.240 1.00 0.00 C +ATOM 27 CA GLY A 27 245.757 253.447 260.116 1.00 0.00 C +ATOM 28 CA SER A 28 249.319 253.261 258.778 1.00 0.00 C +ATOM 29 CA SER A 29 252.667 251.812 257.676 1.00 0.00 C +ATOM 30 CA LYS A 30 252.378 249.934 254.374 1.00 0.00 C +ATOM 31 CA ALA A 31 254.692 247.220 253.035 1.00 0.00 C +ATOM 32 CA VAL A 32 256.158 246.154 249.684 1.00 0.00 C +ATOM 33 CA SER A 33 257.534 249.035 247.604 1.00 0.00 C +ATOM 34 CA THR A 34 261.107 248.318 246.490 1.00 0.00 C +ATOM 35 CA VAL A 35 260.731 246.001 243.490 1.00 0.00 C +ATOM 36 CA VAL A 36 258.255 247.716 241.156 1.00 0.00 C +ATOM 37 CA VAL A 37 254.712 248.889 240.392 1.00 0.00 C +ATOM 38 CA THR A 38 253.180 252.369 240.635 1.00 0.00 C +ATOM 39 CA THR A 39 255.532 254.426 242.815 1.00 0.00 C +ATOM 40 CA ALA A 40 258.030 256.477 244.834 1.00 0.00 C +ATOM 41 CA PRO A 41 259.185 259.448 242.748 1.00 0.00 C +ATOM 42 CA SER A 42 262.234 260.834 244.564 1.00 0.00 C +ATOM 43 CA PRO A 43 265.202 261.333 246.900 1.00 0.00 C +ATOM 44 CA LYS A 44 268.379 260.114 245.186 1.00 0.00 C +ATOM 45 CA GLN A 45 270.905 257.725 243.627 1.00 0.00 C +ATOM 46 CA ALA A 46 273.434 255.423 241.948 1.00 0.00 C +ATOM 47 CA PRO A 47 274.806 251.983 242.842 1.00 0.00 C +ATOM 48 CA GLU A 48 273.705 248.596 241.488 1.00 0.00 C +ATOM 49 CA GLN A 49 270.405 246.879 242.311 1.00 0.00 C +ATOM 50 CA GLN A 50 266.757 245.805 242.084 1.00 0.00 C +TER 51 GLN A 50 +END diff --git a/Mammals/Q3UVD2/Q3UVD2.dcd b/Mammals/Q3UVD2/Q3UVD2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..537b128f111015a1ab8b7e3a91147b1a7e92ac63 --- /dev/null +++ b/Mammals/Q3UVD2/Q3UVD2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:08e9bb3418e1e37350fd81d7cad39cf664b7740f3a6996df7041413cdd8f3654 +size 20240276 diff --git a/Mammals/Q3UVD2/top.pdb b/Mammals/Q3UVD2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..6e5b97d05e1d55959ed3e02b85474f9e8f2036da --- /dev/null +++ b/Mammals/Q3UVD2/top.pdb @@ -0,0 +1,166 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 220.177 159.036 243.506 1.00 0.00 C +ATOM 2 CA LYS A 2 223.866 159.719 242.845 1.00 0.00 C +ATOM 3 CA THR A 3 226.390 161.751 240.841 1.00 0.00 C +ATOM 4 CA PRO A 4 228.507 163.949 238.559 1.00 0.00 C +ATOM 5 CA LEU A 5 231.890 165.690 238.368 1.00 0.00 C +ATOM 6 CA HIS A 6 233.186 168.461 236.096 1.00 0.00 C +ATOM 7 CA ARG A 7 235.499 170.194 233.613 1.00 0.00 C +ATOM 8 CA THR A 8 233.357 171.237 230.639 1.00 0.00 C +ATOM 9 CA PRO A 9 234.374 174.666 229.327 1.00 0.00 C +ATOM 10 CA HIS A 10 236.125 177.672 230.880 1.00 0.00 C +ATOM 11 CA SER A 11 239.051 179.673 232.278 1.00 0.00 C +ATOM 12 CA ALA A 12 240.106 183.175 231.213 1.00 0.00 C +ATOM 13 CA ARG A 13 238.094 185.618 229.092 1.00 0.00 C +ATOM 14 CA PRO A 14 238.384 185.770 225.296 1.00 0.00 C +ATOM 15 CA GLY A 15 240.506 188.569 223.818 1.00 0.00 C +ATOM 16 CA CYS A 16 242.672 191.692 223.547 1.00 0.00 C +ATOM 17 CA GLY A 17 245.143 194.587 223.711 1.00 0.00 C +ATOM 18 CA CYS A 18 244.711 198.341 223.223 1.00 0.00 C +ATOM 19 CA PRO A 19 246.988 200.765 225.082 1.00 0.00 C +ATOM 20 CA GLU A 20 248.883 203.456 227.001 1.00 0.00 C +ATOM 21 CA GLY A 21 249.242 204.950 230.488 1.00 0.00 C +ATOM 22 CA GLY A 22 252.376 203.851 232.356 1.00 0.00 C +ATOM 23 CA TRP A 23 255.439 205.979 233.133 1.00 0.00 C +ATOM 24 CA GLY A 24 258.589 207.151 234.927 1.00 0.00 C +ATOM 25 CA ARG A 25 257.835 210.253 237.008 1.00 0.00 C +ATOM 26 CA SER A 26 254.502 212.094 236.866 1.00 0.00 C +ATOM 27 CA GLY A 27 253.711 215.022 234.559 1.00 0.00 C +ATOM 28 CA GLN A 28 251.432 218.034 234.062 1.00 0.00 C +ATOM 29 CA PRO A 29 253.087 220.766 231.985 1.00 0.00 C +ATOM 30 CA TYR A 30 252.428 224.263 230.625 1.00 0.00 C +ATOM 31 CA PRO A 31 251.182 226.085 227.519 1.00 0.00 C +ATOM 32 CA PRO A 32 249.645 227.994 224.602 1.00 0.00 C +ATOM 33 CA PRO A 33 247.659 230.108 222.131 1.00 0.00 C +ATOM 34 CA PRO A 34 250.145 231.436 219.568 1.00 0.00 C +ATOM 35 CA LEU A 35 248.303 234.215 217.724 1.00 0.00 C +ATOM 36 CA ARG A 36 247.649 237.436 219.651 1.00 0.00 C +ATOM 37 CA PRO A 37 247.177 241.210 219.885 1.00 0.00 C +ATOM 38 CA ARG A 38 248.608 242.993 216.837 1.00 0.00 C +ATOM 39 CA ARG A 39 250.754 244.967 214.385 1.00 0.00 C +ATOM 40 CA ARG A 40 251.086 248.238 212.461 1.00 0.00 C +ATOM 41 CA ARG A 41 251.185 251.164 214.899 1.00 0.00 C +ATOM 42 CA ARG A 42 254.435 253.151 214.983 1.00 0.00 C +ATOM 43 CA HIS A 43 255.632 253.327 211.371 1.00 0.00 C +ATOM 44 CA PRO A 44 259.302 252.322 211.172 1.00 0.00 C +ATOM 45 CA LEU A 45 262.701 252.031 209.476 1.00 0.00 C +ATOM 46 CA ALA A 46 265.111 249.169 210.195 1.00 0.00 C +ATOM 47 CA ALA A 47 263.665 246.912 212.902 1.00 0.00 C +ATOM 48 CA ALA A 48 265.692 244.203 214.655 1.00 0.00 C +ATOM 49 CA ALA A 49 268.880 242.785 216.184 1.00 0.00 C +ATOM 50 CA PRO A 50 272.091 244.606 215.240 1.00 0.00 C +ATOM 51 CA HIS A 51 272.583 248.290 214.402 1.00 0.00 C +ATOM 52 CA SER A 52 274.304 250.543 216.946 1.00 0.00 C +ATOM 53 CA SER A 53 276.779 253.014 215.434 1.00 0.00 C +ATOM 54 CA ARG A 54 279.877 254.794 216.756 1.00 0.00 C +ATOM 55 CA ARG A 55 281.617 256.419 213.782 1.00 0.00 C +ATOM 56 CA LEU A 56 284.535 258.022 211.929 1.00 0.00 C +ATOM 57 CA ARG A 57 287.633 256.211 213.207 1.00 0.00 C +ATOM 58 CA GLY A 58 287.641 255.907 217.005 1.00 0.00 C +ATOM 59 CA SER A 59 287.125 259.404 218.427 1.00 0.00 C +ATOM 60 CA LEU A 60 287.661 260.191 222.116 1.00 0.00 C +ATOM 61 CA ASP A 61 285.233 262.010 224.421 1.00 0.00 C +ATOM 62 CA GLY A 62 285.896 260.673 227.926 1.00 0.00 C +ATOM 63 CA ARG A 63 284.490 262.609 230.892 1.00 0.00 C +ATOM 64 CA PRO A 64 281.054 262.912 232.512 1.00 0.00 C +ATOM 65 CA SER A 65 280.584 266.353 234.078 1.00 0.00 C +ATOM 66 CA GLU A 66 280.579 266.922 237.846 1.00 0.00 C +ATOM 67 CA ARG A 67 277.030 267.806 238.912 1.00 0.00 C +ATOM 68 CA ARG A 68 273.383 268.890 238.716 1.00 0.00 C +ATOM 69 CA ALA A 69 270.125 267.443 240.061 1.00 0.00 C +ATOM 70 CA ASP A 70 266.729 268.465 241.455 1.00 0.00 C +ATOM 71 CA PRO A 71 266.742 272.060 242.716 1.00 0.00 C +ATOM 72 CA ARG A 72 263.469 273.571 243.951 1.00 0.00 C +ATOM 73 CA TRP A 73 260.264 275.517 244.629 1.00 0.00 C +ATOM 74 CA ALA A 74 260.585 279.209 245.509 1.00 0.00 C +ATOM 75 CA PRO A 75 262.611 281.701 247.560 1.00 0.00 C +ATOM 76 CA ALA A 76 260.419 283.832 249.834 1.00 0.00 C +ATOM 77 CA PRO A 77 256.744 284.322 250.709 1.00 0.00 C +ATOM 78 CA GLY A 78 255.541 287.495 248.976 1.00 0.00 C +ATOM 79 CA THR A 79 257.404 287.610 245.655 1.00 0.00 C +ATOM 80 CA ARG A 80 260.637 289.041 244.234 1.00 0.00 C +ATOM 81 CA ARG A 81 261.059 292.788 243.688 1.00 0.00 C +ATOM 82 CA THR A 82 260.479 295.608 246.183 1.00 0.00 C +ATOM 83 CA GLY A 83 262.861 298.579 246.298 1.00 0.00 C +ATOM 84 CA ALA A 84 263.589 299.491 242.671 1.00 0.00 C +ATOM 85 CA GLY A 85 266.149 302.302 242.914 1.00 0.00 C +ATOM 86 CA ARG A 86 265.511 304.027 246.250 1.00 0.00 C +ATOM 87 CA ALA A 87 264.873 305.816 249.553 1.00 0.00 C +ATOM 88 CA ARG A 88 261.846 304.945 251.697 1.00 0.00 C +ATOM 89 CA ASN A 89 262.940 304.148 255.258 1.00 0.00 C +ATOM 90 CA LEU A 90 262.829 304.884 258.995 1.00 0.00 C +ATOM 91 CA ALA A 91 263.929 306.493 262.269 1.00 0.00 C +ATOM 92 CA PRO A 92 265.927 306.485 265.513 1.00 0.00 C +ATOM 93 CA PRO A 93 269.348 304.808 265.542 1.00 0.00 C +ATOM 94 CA GLY A 94 272.364 305.684 267.699 1.00 0.00 C +ATOM 95 CA VAL A 95 275.146 303.125 268.180 1.00 0.00 C +ATOM 96 CA PRO A 96 274.761 299.628 269.641 1.00 0.00 C +ATOM 97 CA GLY A 97 277.258 296.752 269.755 1.00 0.00 C +ATOM 98 CA PRO A 98 278.133 293.913 267.370 1.00 0.00 C +ATOM 99 CA LEU A 99 276.731 294.269 263.846 1.00 0.00 C +ATOM 100 CA THR A 100 274.154 294.010 261.051 1.00 0.00 C +ATOM 101 CA ALA A 101 274.323 292.427 257.590 1.00 0.00 C +ATOM 102 CA SER A 102 276.806 290.011 256.005 1.00 0.00 C +ATOM 103 CA PRO A 103 274.642 287.089 254.868 1.00 0.00 C +ATOM 104 CA GLY A 104 270.876 287.431 255.331 1.00 0.00 C +ATOM 105 CA SER A 105 268.324 284.604 255.446 1.00 0.00 C +ATOM 106 CA SER A 106 264.738 284.473 256.726 1.00 0.00 C +ATOM 107 CA ALA A 107 264.674 283.466 260.400 1.00 0.00 C +ATOM 108 CA CYS A 108 264.834 281.304 263.533 1.00 0.00 C +ATOM 109 CA PRO A 109 261.551 279.670 264.564 1.00 0.00 C +ATOM 110 CA PRO A 110 261.459 276.120 265.945 1.00 0.00 C +ATOM 111 CA LYS A 111 260.992 275.787 269.711 1.00 0.00 C +ATOM 112 CA CYS A 112 257.303 275.179 270.443 1.00 0.00 C +ATOM 113 CA PRO A 113 255.265 272.266 271.813 1.00 0.00 C +ATOM 114 CA ALA A 114 252.222 269.974 271.781 1.00 0.00 C +ATOM 115 CA PRO A 115 251.448 266.246 271.927 1.00 0.00 C +ATOM 116 CA ALA A 116 250.654 264.035 274.927 1.00 0.00 C +ATOM 117 CA HIS A 117 247.224 262.527 274.238 1.00 0.00 C +ATOM 118 CA GLY A 118 245.755 261.870 277.692 1.00 0.00 C +ATOM 119 CA ARG A 119 243.741 264.621 279.393 1.00 0.00 C +ATOM 120 CA CYS A 120 245.635 266.017 282.390 1.00 0.00 C +ATOM 121 CA CYS A 121 245.593 263.898 285.557 1.00 0.00 C +ATOM 122 CA ARG A 122 247.672 261.336 287.461 1.00 0.00 C +ATOM 123 CA SER A 123 251.443 261.282 286.921 1.00 0.00 C +ATOM 124 CA LYS A 124 254.688 261.000 284.944 1.00 0.00 C +ATOM 125 CA SER A 125 256.922 259.154 282.470 1.00 0.00 C +ATOM 126 CA LEU A 126 255.270 255.927 281.300 1.00 0.00 C +ATOM 127 CA GLY A 127 255.091 253.138 283.889 1.00 0.00 C +ATOM 128 CA THR A 128 252.603 250.253 283.823 1.00 0.00 C +ATOM 129 CA LEU A 129 249.055 249.144 284.660 1.00 0.00 C +ATOM 130 CA GLY A 130 246.882 246.071 284.067 1.00 0.00 C +ATOM 131 CA ASP A 131 244.051 246.053 281.517 1.00 0.00 C +ATOM 132 CA ASP A 132 240.913 243.967 282.083 1.00 0.00 C +ATOM 133 CA GLY A 133 238.885 241.155 283.665 1.00 0.00 C +ATOM 134 CA SER A 134 235.810 241.077 285.912 1.00 0.00 C +ATOM 135 CA ARG A 135 232.777 243.380 286.030 1.00 0.00 C +ATOM 136 CA PRO A 136 231.258 246.830 285.479 1.00 0.00 C +ATOM 137 CA GLN A 137 228.134 247.036 283.307 1.00 0.00 C +ATOM 138 CA ARG A 138 224.379 247.560 283.680 1.00 0.00 C +ATOM 139 CA SER A 139 220.660 248.388 283.638 1.00 0.00 C +ATOM 140 CA GLN A 140 218.290 246.152 281.663 1.00 0.00 C +ATOM 141 CA PRO A 141 215.586 245.168 279.165 1.00 0.00 C +ATOM 142 CA LEU A 142 212.832 243.497 281.199 1.00 0.00 C +ATOM 143 CA PRO A 143 212.438 242.633 284.889 1.00 0.00 C +ATOM 144 CA PRO A 144 210.758 245.618 286.557 1.00 0.00 C +ATOM 145 CA ARG A 145 208.968 248.978 286.723 1.00 0.00 C +ATOM 146 CA THR A 146 205.353 248.954 285.520 1.00 0.00 C +ATOM 147 CA ALA A 147 204.457 246.384 282.855 1.00 0.00 C +ATOM 148 CA SER A 148 201.744 247.462 280.406 1.00 0.00 C +ATOM 149 CA GLY A 149 199.194 244.692 279.821 1.00 0.00 C +ATOM 150 CA LEU A 150 200.539 241.241 278.927 1.00 0.00 C +ATOM 151 CA ARG A 151 200.775 241.263 275.125 1.00 0.00 C +ATOM 152 CA ALA A 152 198.884 239.666 272.229 1.00 0.00 C +ATOM 153 CA ALA A 153 198.112 241.437 268.945 1.00 0.00 C +ATOM 154 CA SER A 154 200.675 240.183 266.421 1.00 0.00 C +ATOM 155 CA ARG A 155 202.157 236.764 267.215 1.00 0.00 C +ATOM 156 CA ALA A 156 205.925 236.858 267.775 1.00 0.00 C +ATOM 157 CA PHE A 157 206.841 239.452 270.411 1.00 0.00 C +ATOM 158 CA GLY A 158 207.063 241.881 273.338 1.00 0.00 C +ATOM 159 CA THR A 159 208.789 244.030 275.969 1.00 0.00 C +ATOM 160 CA ALA A 160 210.591 246.920 274.261 1.00 0.00 C +ATOM 161 CA CYS A 161 210.613 248.454 270.774 1.00 0.00 C +ATOM 162 CA ARG A 162 208.259 250.816 268.930 1.00 0.00 C +TER 163 ARG A 162 +END diff --git a/Mammals/Q3UVW1/Q3UVW1.dcd b/Mammals/Q3UVW1/Q3UVW1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a174e67f946823ae414ffae34fbb260445c02739 --- /dev/null +++ b/Mammals/Q3UVW1/Q3UVW1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dce90469dcec5eae22e008a6b9ec291e64a58878d15d6e1384b20558d733ac3d +size 21200276 diff --git a/Mammals/Q3UVW1/top.pdb b/Mammals/Q3UVW1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e01b3b0cad4de53338cef7f07aea248374078f92 --- /dev/null +++ b/Mammals/Q3UVW1/top.pdb @@ -0,0 +1,174 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 179.241 302.476 202.635 1.00 0.00 C +ATOM 2 CA VAL A 2 182.778 302.513 201.218 1.00 0.00 C +ATOM 3 CA ASN A 3 184.424 299.240 202.264 1.00 0.00 C +ATOM 4 CA SER A 4 181.932 296.567 201.184 1.00 0.00 C +ATOM 5 CA SER A 5 182.527 296.073 197.453 1.00 0.00 C +ATOM 6 CA PRO A 6 183.839 293.701 194.776 1.00 0.00 C +ATOM 7 CA ALA A 7 185.426 290.271 195.261 1.00 0.00 C +ATOM 8 CA SER A 8 187.960 288.212 193.298 1.00 0.00 C +ATOM 9 CA LYS A 9 189.563 284.856 194.125 1.00 0.00 C +ATOM 10 CA ASN A 10 189.132 282.715 191.003 1.00 0.00 C +ATOM 11 CA GLU A 11 189.276 280.572 187.856 1.00 0.00 C +ATOM 12 CA PRO A 12 190.260 283.033 185.119 1.00 0.00 C +ATOM 13 CA LEU A 13 191.836 286.446 185.742 1.00 0.00 C +ATOM 14 CA SER A 14 193.370 288.174 188.771 1.00 0.00 C +ATOM 15 CA PRO A 15 193.987 291.159 191.056 1.00 0.00 C +ATOM 16 CA ARG A 16 193.461 292.724 194.490 1.00 0.00 C +ATOM 17 CA HIS A 17 193.672 290.137 197.279 1.00 0.00 C +ATOM 18 CA ARG A 18 192.523 291.894 200.458 1.00 0.00 C +ATOM 19 CA LEU A 19 190.807 291.420 203.827 1.00 0.00 C +ATOM 20 CA ILE A 20 188.226 293.621 205.561 1.00 0.00 C +ATOM 21 CA ALA A 21 188.609 293.447 209.348 1.00 0.00 C +ATOM 22 CA ALA A 22 191.404 292.380 211.707 1.00 0.00 C +ATOM 23 CA SER A 23 192.976 288.913 211.864 1.00 0.00 C +ATOM 24 CA ASP A 24 193.573 286.031 214.283 1.00 0.00 C +ATOM 25 CA SER A 25 195.239 283.563 216.661 1.00 0.00 C +ATOM 26 CA ARG A 26 198.708 283.008 215.187 1.00 0.00 C +ATOM 27 CA SER A 27 201.805 282.194 217.252 1.00 0.00 C +ATOM 28 CA PRO A 28 203.895 285.253 218.138 1.00 0.00 C +ATOM 29 CA PHE A 29 204.984 284.701 221.747 1.00 0.00 C +ATOM 30 CA THR A 30 205.876 281.343 223.310 1.00 0.00 C +ATOM 31 CA VAL A 31 207.837 280.672 226.507 1.00 0.00 C +ATOM 32 CA PRO A 32 207.713 279.021 229.939 1.00 0.00 C +ATOM 33 CA GLU A 33 210.996 278.336 231.747 1.00 0.00 C +ATOM 34 CA LYS A 34 212.397 274.876 230.987 1.00 0.00 C +ATOM 35 CA LYS A 35 212.052 272.752 234.131 1.00 0.00 C +ATOM 36 CA GLN A 36 210.975 271.877 237.679 1.00 0.00 C +ATOM 37 CA PRO A 37 207.302 271.801 238.689 1.00 0.00 C +ATOM 38 CA ARG A 38 204.549 269.350 239.651 1.00 0.00 C +ATOM 39 CA SER A 39 203.561 265.672 239.528 1.00 0.00 C +ATOM 40 CA PRO A 40 204.698 262.285 240.852 1.00 0.00 C +ATOM 41 CA GLY A 41 208.504 262.475 240.823 1.00 0.00 C +ATOM 42 CA SER A 42 212.138 262.337 241.957 1.00 0.00 C +ATOM 43 CA PRO A 43 215.196 260.137 241.386 1.00 0.00 C +ATOM 44 CA PRO A 44 216.549 256.673 242.216 1.00 0.00 C +ATOM 45 CA ALA A 45 219.081 253.891 242.818 1.00 0.00 C +ATOM 46 CA ALA A 46 222.454 253.182 241.195 1.00 0.00 C +ATOM 47 CA ALA A 47 225.853 254.533 242.262 1.00 0.00 C +ATOM 48 CA LEU A 48 226.603 253.215 245.758 1.00 0.00 C +ATOM 49 CA GLU A 49 226.789 252.852 249.546 1.00 0.00 C +ATOM 50 CA PRO A 50 224.187 251.113 251.719 1.00 0.00 C +ATOM 51 CA PRO A 51 222.926 249.316 254.832 1.00 0.00 C +ATOM 52 CA ARG A 52 222.799 247.785 258.319 1.00 0.00 C +ATOM 53 CA ARG A 53 223.894 250.430 260.834 1.00 0.00 C +ATOM 54 CA SER A 54 226.878 252.739 261.363 1.00 0.00 C +ATOM 55 CA ILE A 55 230.496 252.029 262.321 1.00 0.00 C +ATOM 56 CA LEU A 56 232.594 252.057 259.141 1.00 0.00 C +ATOM 57 CA ASN A 57 236.201 253.274 258.994 1.00 0.00 C +ATOM 58 CA SER A 58 239.004 255.833 259.333 1.00 0.00 C +ATOM 59 CA GLY A 59 242.352 257.099 260.638 1.00 0.00 C +ATOM 60 CA ALA A 60 246.029 258.046 260.954 1.00 0.00 C +ATOM 61 CA ARG A 61 246.769 260.007 264.136 1.00 0.00 C +ATOM 62 CA LYS A 62 248.847 258.856 267.114 1.00 0.00 C +ATOM 63 CA LEU A 63 248.668 258.356 270.887 1.00 0.00 C +ATOM 64 CA ALA A 64 249.539 257.140 274.392 1.00 0.00 C +ATOM 65 CA SER A 65 248.840 258.435 277.906 1.00 0.00 C +ATOM 66 CA GLY A 66 250.543 258.390 281.314 1.00 0.00 C +ATOM 67 CA ALA A 67 253.606 256.211 281.938 1.00 0.00 C +ATOM 68 CA ARG A 68 256.453 257.643 279.850 1.00 0.00 C +ATOM 69 CA ARG A 69 256.184 260.059 276.916 1.00 0.00 C +ATOM 70 CA SER A 70 256.480 260.476 273.141 1.00 0.00 C +ATOM 71 CA THR A 71 258.260 262.099 270.189 1.00 0.00 C +ATOM 72 CA LYS A 72 257.361 263.241 266.668 1.00 0.00 C +ATOM 73 CA PRO A 73 258.934 261.885 263.474 1.00 0.00 C +ATOM 74 CA TRP A 74 260.160 261.501 259.887 1.00 0.00 C +ATOM 75 CA PRO A 75 260.442 265.025 258.467 1.00 0.00 C +ATOM 76 CA LYS A 76 259.697 264.922 254.732 1.00 0.00 C +ATOM 77 CA ALA A 77 259.480 268.372 253.130 1.00 0.00 C +ATOM 78 CA ASP A 78 257.730 271.702 252.529 1.00 0.00 C +ATOM 79 CA ARG A 79 255.677 274.833 253.234 1.00 0.00 C +ATOM 80 CA TRP A 80 252.469 274.793 255.290 1.00 0.00 C +ATOM 81 CA LYS A 81 249.533 272.822 253.872 1.00 0.00 C +ATOM 82 CA ALA A 82 249.468 270.089 251.218 1.00 0.00 C +ATOM 83 CA SER A 83 250.475 266.634 252.470 1.00 0.00 C +ATOM 84 CA SER A 84 251.580 263.681 250.332 1.00 0.00 C +ATOM 85 CA LEU A 85 251.432 260.697 252.697 1.00 0.00 C +ATOM 86 CA ALA A 86 253.376 257.732 251.302 1.00 0.00 C +ATOM 87 CA LEU A 87 256.668 255.969 250.544 1.00 0.00 C +ATOM 88 CA PRO A 88 258.368 253.624 248.070 1.00 0.00 C +ATOM 89 CA GLY A 89 257.311 251.242 245.291 1.00 0.00 C +ATOM 90 CA ASN A 90 254.241 248.991 245.446 1.00 0.00 C +ATOM 91 CA ARG A 91 251.439 246.945 247.020 1.00 0.00 C +ATOM 92 CA VAL A 92 248.985 246.345 244.168 1.00 0.00 C +ATOM 93 CA GLY A 93 250.481 243.749 241.815 1.00 0.00 C +ATOM 94 CA THR A 94 254.067 242.873 242.758 1.00 0.00 C +ATOM 95 CA THR A 95 254.895 239.155 242.700 1.00 0.00 C +ATOM 96 CA SER A 96 258.680 238.862 242.376 1.00 0.00 C +ATOM 97 CA SER A 97 260.926 235.787 242.490 1.00 0.00 C +ATOM 98 CA GLU A 98 262.073 232.616 240.717 1.00 0.00 C +ATOM 99 CA ALA A 99 260.725 229.377 242.204 1.00 0.00 C +ATOM 100 CA CYS A 100 259.291 226.208 243.757 1.00 0.00 C +ATOM 101 CA ALA A 101 260.032 224.915 247.264 1.00 0.00 C +ATOM 102 CA PRO A 102 263.277 224.406 249.194 1.00 0.00 C +ATOM 103 CA VAL A 103 266.295 225.830 251.033 1.00 0.00 C +ATOM 104 CA PRO A 104 269.044 228.123 249.729 1.00 0.00 C +ATOM 105 CA GLY A 105 272.578 229.503 250.087 1.00 0.00 C +ATOM 106 CA PRO A 106 274.896 229.998 247.104 1.00 0.00 C +ATOM 107 CA ALA A 107 274.524 226.942 244.859 1.00 0.00 C +ATOM 108 CA GLY A 108 272.127 225.509 242.268 1.00 0.00 C +ATOM 109 CA ALA A 109 272.538 223.530 239.039 1.00 0.00 C +ATOM 110 CA PRO A 110 273.652 221.348 236.120 1.00 0.00 C +ATOM 111 CA GLN A 111 271.291 220.401 233.284 1.00 0.00 C +ATOM 112 CA THR A 112 270.485 223.146 230.768 1.00 0.00 C +ATOM 113 CA SER A 113 270.887 225.437 227.750 1.00 0.00 C +ATOM 114 CA GLY A 114 274.089 224.494 225.912 1.00 0.00 C +ATOM 115 CA GLY A 115 277.026 226.921 225.928 1.00 0.00 C +ATOM 116 CA GLY A 116 279.430 229.661 227.036 1.00 0.00 C +ATOM 117 CA GLY A 117 278.035 231.846 229.828 1.00 0.00 C +ATOM 118 CA SER A 118 277.155 230.560 233.305 1.00 0.00 C +ATOM 119 CA CYS A 119 277.213 228.121 236.231 1.00 0.00 C +ATOM 120 CA ASN A 120 279.127 226.257 238.948 1.00 0.00 C +ATOM 121 CA SER A 121 280.643 228.074 241.935 1.00 0.00 C +ATOM 122 CA SER A 122 284.166 229.502 242.196 1.00 0.00 C +ATOM 123 CA SER A 123 284.830 229.860 245.931 1.00 0.00 C +ATOM 124 CA ARG A 124 282.902 232.832 247.334 1.00 0.00 C +ATOM 125 CA ARG A 125 284.350 235.883 249.097 1.00 0.00 C +ATOM 126 CA GLY A 126 285.293 235.101 252.705 1.00 0.00 C +ATOM 127 CA GLY A 127 288.242 232.938 253.776 1.00 0.00 C +ATOM 128 CA HIS A 128 290.118 229.634 253.500 1.00 0.00 C +ATOM 129 CA PRO A 129 290.463 227.261 256.461 1.00 0.00 C +ATOM 130 CA VAL A 130 289.197 224.667 258.948 1.00 0.00 C +ATOM 131 CA VAL A 131 289.641 226.164 262.423 1.00 0.00 C +ATOM 132 CA VAL A 132 292.533 226.692 264.847 1.00 0.00 C +ATOM 133 CA GLY A 133 296.139 225.465 264.936 1.00 0.00 C +ATOM 134 CA SER A 134 296.293 221.927 266.340 1.00 0.00 C +ATOM 135 CA ARG A 135 298.969 220.266 268.483 1.00 0.00 C +ATOM 136 CA SER A 136 299.109 221.149 272.186 1.00 0.00 C +ATOM 137 CA MET A 137 296.998 220.399 275.268 1.00 0.00 C +ATOM 138 CA GLY A 138 298.351 219.154 278.605 1.00 0.00 C +ATOM 139 CA ALA A 139 297.921 220.949 281.938 1.00 0.00 C +ATOM 140 CA GLU A 140 300.571 222.813 283.942 1.00 0.00 C +ATOM 141 CA CYS A 141 303.482 221.747 286.157 1.00 0.00 C +ATOM 142 CA CYS A 142 304.036 222.522 289.846 1.00 0.00 C +ATOM 143 CA GLY A 143 300.579 222.831 291.416 1.00 0.00 C +ATOM 144 CA ALA A 144 297.721 222.004 293.797 1.00 0.00 C +ATOM 145 CA ARG A 145 299.404 221.702 297.202 1.00 0.00 C +ATOM 146 CA GLU A 146 298.017 220.227 300.430 1.00 0.00 C +ATOM 147 CA ARG A 147 296.590 222.894 302.746 1.00 0.00 C +ATOM 148 CA GLU A 148 293.587 224.295 300.865 1.00 0.00 C +ATOM 149 CA GLU A 149 290.388 222.375 300.094 1.00 0.00 C +ATOM 150 CA ASP A 150 288.233 219.233 300.071 1.00 0.00 C +ATOM 151 CA ARG A 151 290.079 216.290 298.507 1.00 0.00 C +ATOM 152 CA ARG A 152 287.735 215.010 295.789 1.00 0.00 C +ATOM 153 CA ALA A 153 289.311 212.573 293.321 1.00 0.00 C +ATOM 154 CA ARG A 154 291.024 214.593 290.582 1.00 0.00 C +ATOM 155 CA ALA A 155 293.570 213.623 287.919 1.00 0.00 C +ATOM 156 CA GLY A 156 292.859 215.717 284.816 1.00 0.00 C +ATOM 157 CA ALA A 157 289.459 215.905 283.106 1.00 0.00 C +ATOM 158 CA GLY A 158 286.090 217.362 282.083 1.00 0.00 C +ATOM 159 CA GLY A 159 282.646 218.983 281.924 1.00 0.00 C +ATOM 160 CA PRO A 160 281.745 222.125 283.881 1.00 0.00 C +ATOM 161 CA ARG A 161 283.093 222.177 287.444 1.00 0.00 C +ATOM 162 CA ARG A 162 281.551 223.382 290.713 1.00 0.00 C +ATOM 163 CA PRO A 163 283.790 224.317 293.651 1.00 0.00 C +ATOM 164 CA GLY A 164 282.401 227.194 295.726 1.00 0.00 C +ATOM 165 CA ARG A 165 283.024 230.904 296.329 1.00 0.00 C +ATOM 166 CA SER A 166 280.674 233.705 295.257 1.00 0.00 C +ATOM 167 CA VAL A 167 279.405 237.295 295.405 1.00 0.00 C +ATOM 168 CA GLN A 168 281.605 239.801 297.248 1.00 0.00 C +ATOM 169 CA GLU A 169 285.388 240.174 296.996 1.00 0.00 C +ATOM 170 CA LYS A 170 288.014 241.723 294.711 1.00 0.00 C +TER 171 LYS A 170 +END diff --git a/Mammals/Q3UWB8/Q3UWB8.dcd b/Mammals/Q3UWB8/Q3UWB8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..44ac2bd5ec045dc2ca8bd56be915f9f613a1a113 --- /dev/null +++ b/Mammals/Q3UWB8/Q3UWB8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:19aeacef0f5a33625ae485fdec69dad468135e4bc75c3d617ac72dae90fd362d +size 16880276 diff --git a/Mammals/Q3UWB8/top.pdb b/Mammals/Q3UWB8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..6d18a5bc1447a50019c4ac2523a8c5ffe0e6e88b --- /dev/null +++ b/Mammals/Q3UWB8/top.pdb @@ -0,0 +1,138 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 250.183 253.630 186.159 1.00 0.00 C +ATOM 2 CA HIS A 2 252.558 256.108 184.507 1.00 0.00 C +ATOM 3 CA HIS A 3 252.450 259.826 185.335 1.00 0.00 C +ATOM 4 CA CYS A 4 251.717 261.379 188.736 1.00 0.00 C +ATOM 5 CA LYS A 5 249.112 259.603 190.875 1.00 0.00 C +ATOM 6 CA ARG A 6 246.388 258.041 193.033 1.00 0.00 C +ATOM 7 CA TYR A 7 243.858 258.138 195.881 1.00 0.00 C +ATOM 8 CA ARG A 8 244.532 261.381 197.763 1.00 0.00 C +ATOM 9 CA SER A 9 242.644 262.079 200.998 1.00 0.00 C +ATOM 10 CA PRO A 10 240.980 261.158 204.299 1.00 0.00 C +ATOM 11 CA GLU A 11 238.208 261.021 206.909 1.00 0.00 C +ATOM 12 CA PRO A 12 234.603 262.142 207.424 1.00 0.00 C +ATOM 13 CA ASP A 13 232.471 264.878 209.000 1.00 0.00 C +ATOM 14 CA PRO A 14 230.828 263.735 212.243 1.00 0.00 C +ATOM 15 CA TYR A 15 227.360 265.220 212.774 1.00 0.00 C +ATOM 16 CA LEU A 16 224.924 262.452 213.734 1.00 0.00 C +ATOM 17 CA SER A 17 222.349 263.616 216.290 1.00 0.00 C +ATOM 18 CA TYR A 18 220.306 262.095 219.123 1.00 0.00 C +ATOM 19 CA ARG A 19 217.377 264.182 220.382 1.00 0.00 C +ATOM 20 CA TRP A 20 217.389 266.850 223.102 1.00 0.00 C +ATOM 21 CA LYS A 21 217.957 268.190 226.623 1.00 0.00 C +ATOM 22 CA ARG A 22 216.265 271.431 227.694 1.00 0.00 C +ATOM 23 CA ARG A 23 214.501 272.838 230.765 1.00 0.00 C +ATOM 24 CA ARG A 24 214.444 276.558 231.583 1.00 0.00 C +ATOM 25 CA SER A 25 217.784 278.376 231.823 1.00 0.00 C +ATOM 26 CA TYR A 26 219.286 281.507 233.389 1.00 0.00 C +ATOM 27 CA SER A 27 222.703 282.167 234.941 1.00 0.00 C +ATOM 28 CA ARG A 28 224.733 284.975 236.526 1.00 0.00 C +ATOM 29 CA GLU A 29 224.530 288.434 238.111 1.00 0.00 C +ATOM 30 CA HIS A 30 222.159 290.907 239.779 1.00 0.00 C +ATOM 31 CA GLU A 31 219.340 289.959 242.160 1.00 0.00 C +ATOM 32 CA GLY A 32 218.462 288.599 245.609 1.00 0.00 C +ATOM 33 CA ARG A 33 219.506 285.034 246.456 1.00 0.00 C +ATOM 34 CA LEU A 34 220.211 281.643 244.867 1.00 0.00 C +ATOM 35 CA ARG A 35 222.516 279.073 243.257 1.00 0.00 C +ATOM 36 CA TYR A 36 222.453 277.319 239.876 1.00 0.00 C +ATOM 37 CA PRO A 37 218.967 275.889 239.307 1.00 0.00 C +ATOM 38 CA SER A 38 218.177 272.973 236.986 1.00 0.00 C +ATOM 39 CA ARG A 39 219.619 271.585 233.744 1.00 0.00 C +ATOM 40 CA ARG A 40 222.576 272.842 231.696 1.00 0.00 C +ATOM 41 CA GLU A 41 225.309 274.243 233.951 1.00 0.00 C +ATOM 42 CA PRO A 42 228.518 272.413 234.885 1.00 0.00 C +ATOM 43 CA PRO A 43 229.726 269.206 236.549 1.00 0.00 C +ATOM 44 CA PRO A 44 232.009 267.553 239.112 1.00 0.00 C +ATOM 45 CA ARG A 45 232.721 264.234 240.842 1.00 0.00 C +ATOM 46 CA ARG A 46 233.678 261.683 243.506 1.00 0.00 C +ATOM 47 CA SER A 47 233.038 258.010 242.724 1.00 0.00 C +ATOM 48 CA ARG A 48 231.580 254.743 244.036 1.00 0.00 C +ATOM 49 CA SER A 49 233.493 253.434 247.060 1.00 0.00 C +ATOM 50 CA ARG A 50 235.307 250.309 245.852 1.00 0.00 C +ATOM 51 CA SER A 51 235.574 248.694 242.411 1.00 0.00 C +ATOM 52 CA HIS A 52 233.932 247.698 239.121 1.00 0.00 C +ATOM 53 CA ASP A 53 235.270 250.030 236.422 1.00 0.00 C +ATOM 54 CA ARG A 54 234.450 253.265 234.585 1.00 0.00 C +ATOM 55 CA ILE A 55 232.182 255.588 232.590 1.00 0.00 C +ATOM 56 CA PRO A 56 229.189 253.793 231.061 1.00 0.00 C +ATOM 57 CA TYR A 57 230.040 250.144 230.371 1.00 0.00 C +ATOM 58 CA GLN A 58 227.884 248.069 232.730 1.00 0.00 C +ATOM 59 CA ARG A 59 228.718 245.739 235.627 1.00 0.00 C +ATOM 60 CA ARG A 60 226.246 245.419 238.508 1.00 0.00 C +ATOM 61 CA TYR A 61 224.324 245.351 241.797 1.00 0.00 C +ATOM 62 CA ARG A 62 226.018 243.921 244.896 1.00 0.00 C +ATOM 63 CA GLU A 63 229.076 246.005 245.802 1.00 0.00 C +ATOM 64 CA HIS A 64 232.361 244.124 246.237 1.00 0.00 C +ATOM 65 CA ARG A 65 235.714 242.362 245.829 1.00 0.00 C +ATOM 66 CA ASP A 66 239.049 244.193 245.629 1.00 0.00 C +ATOM 67 CA SER A 67 242.784 243.501 245.344 1.00 0.00 C +ATOM 68 CA ASP A 68 246.360 244.569 246.113 1.00 0.00 C +ATOM 69 CA THR A 69 249.948 243.916 247.214 1.00 0.00 C +ATOM 70 CA TYR A 70 251.655 240.893 248.785 1.00 0.00 C +ATOM 71 CA ARG A 71 253.995 239.809 251.590 1.00 0.00 C +ATOM 72 CA CYS A 72 257.658 238.927 252.154 1.00 0.00 C +ATOM 73 CA GLU A 73 259.353 239.603 255.499 1.00 0.00 C +ATOM 74 CA GLU A 74 262.170 241.744 256.912 1.00 0.00 C +ATOM 75 CA ARG A 75 265.853 241.768 257.887 1.00 0.00 C +ATOM 76 CA SER A 76 267.595 238.592 256.706 1.00 0.00 C +ATOM 77 CA PRO A 77 269.093 236.532 253.873 1.00 0.00 C +ATOM 78 CA SER A 78 270.200 235.593 250.350 1.00 0.00 C +ATOM 79 CA PHE A 79 271.478 233.570 247.386 1.00 0.00 C +ATOM 80 CA GLY A 80 269.144 230.740 246.355 1.00 0.00 C +ATOM 81 CA GLU A 81 270.422 227.169 245.996 1.00 0.00 C +ATOM 82 CA ASP A 82 271.598 223.677 246.968 1.00 0.00 C +ATOM 83 CA CYS A 83 275.173 223.115 248.160 1.00 0.00 C +ATOM 84 CA TYR A 84 277.782 225.866 247.790 1.00 0.00 C +ATOM 85 CA GLY A 85 281.434 225.214 248.658 1.00 0.00 C +ATOM 86 CA SER A 86 283.885 222.365 249.286 1.00 0.00 C +ATOM 87 CA SER A 87 286.288 222.385 252.243 1.00 0.00 C +ATOM 88 CA ARG A 88 285.798 219.196 254.269 1.00 0.00 C +ATOM 89 CA SER A 89 282.838 216.879 253.647 1.00 0.00 C +ATOM 90 CA ARG A 90 279.920 218.625 251.929 1.00 0.00 C +ATOM 91 CA HIS A 91 276.887 219.082 254.189 1.00 0.00 C +ATOM 92 CA ARG A 92 275.563 219.189 257.761 1.00 0.00 C +ATOM 93 CA ARG A 93 272.576 220.685 259.592 1.00 0.00 C +ATOM 94 CA ARG A 94 271.555 221.349 263.202 1.00 0.00 C +ATOM 95 CA SER A 95 272.698 224.563 264.900 1.00 0.00 C +ATOM 96 CA ARG A 96 272.951 224.423 268.699 1.00 0.00 C +ATOM 97 CA GLU A 97 275.258 223.762 271.658 1.00 0.00 C +ATOM 98 CA ARG A 98 273.788 222.154 274.783 1.00 0.00 C +ATOM 99 CA ALA A 99 275.588 223.437 277.887 1.00 0.00 C +ATOM 100 CA PRO A 100 278.484 225.846 278.456 1.00 0.00 C +ATOM 101 CA TYR A 101 280.219 227.953 281.114 1.00 0.00 C +ATOM 102 CA ARG A 102 283.841 228.336 282.233 1.00 0.00 C +ATOM 103 CA THR A 103 287.643 228.582 282.302 1.00 0.00 C +ATOM 104 CA ARG A 104 288.518 229.053 285.980 1.00 0.00 C +ATOM 105 CA LYS A 105 285.902 230.812 288.121 1.00 0.00 C +ATOM 106 CA HIS A 106 284.717 234.195 289.411 1.00 0.00 C +ATOM 107 CA ALA A 107 287.489 236.389 290.831 1.00 0.00 C +ATOM 108 CA HIS A 108 287.674 239.070 293.532 1.00 0.00 C +ATOM 109 CA HIS A 109 284.815 238.644 296.015 1.00 0.00 C +ATOM 110 CA CYS A 110 283.545 241.946 297.429 1.00 0.00 C +ATOM 111 CA HIS A 111 281.736 243.743 294.598 1.00 0.00 C +ATOM 112 CA LYS A 112 281.395 247.406 293.609 1.00 0.00 C +ATOM 113 CA ARG A 113 281.708 251.124 294.384 1.00 0.00 C +ATOM 114 CA ARG A 114 278.755 252.042 296.608 1.00 0.00 C +ATOM 115 CA THR A 115 275.752 249.755 297.130 1.00 0.00 C +ATOM 116 CA ARG A 116 272.148 250.982 296.992 1.00 0.00 C +ATOM 117 CA SER A 117 268.799 250.609 295.213 1.00 0.00 C +ATOM 118 CA CYS A 118 269.033 250.753 291.413 1.00 0.00 C +ATOM 119 CA SER A 119 265.580 251.866 290.249 1.00 0.00 C +ATOM 120 CA SER A 120 263.313 254.674 289.026 1.00 0.00 C +ATOM 121 CA ALA A 121 260.061 256.413 289.980 1.00 0.00 C +ATOM 122 CA SER A 122 257.543 255.651 287.224 1.00 0.00 C +ATOM 123 CA SER A 123 254.239 253.810 287.678 1.00 0.00 C +ATOM 124 CA VAL A 124 251.366 253.742 285.176 1.00 0.00 C +ATOM 125 CA SER A 125 249.424 255.347 282.318 1.00 0.00 C +ATOM 126 CA GLY A 126 249.446 252.861 279.430 1.00 0.00 C +ATOM 127 CA GLY A 127 251.431 249.813 278.295 1.00 0.00 C +ATOM 128 CA GLN A 128 253.746 247.057 277.047 1.00 0.00 C +ATOM 129 CA SER A 129 255.710 244.057 278.336 1.00 0.00 C +ATOM 130 CA VAL A 130 259.165 243.083 279.611 1.00 0.00 C +ATOM 131 CA LEU A 131 261.016 240.664 281.900 1.00 0.00 C +ATOM 132 CA ILE A 132 260.748 236.987 280.937 1.00 0.00 C +ATOM 133 CA GLY A 133 258.481 234.029 281.731 1.00 0.00 C +ATOM 134 CA ALA A 134 255.435 231.758 282.009 1.00 0.00 C +TER 135 ALA A 134 +END diff --git a/Mammals/Q3UWF8/Q3UWF8.dcd b/Mammals/Q3UWF8/Q3UWF8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..4ec3c8046ff15910e15f49c0e9367bad61705678 --- /dev/null +++ b/Mammals/Q3UWF8/Q3UWF8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:08b55a187c747cea8e3e130160d73bca2050cb25177cf3dc9dd3bc3737bf57c0 +size 13040276 diff --git a/Mammals/Q3UWF8/top.pdb b/Mammals/Q3UWF8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d61700ca10ff8770581df29e6d34341bf6f5185b --- /dev/null +++ b/Mammals/Q3UWF8/top.pdb @@ -0,0 +1,106 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA HIS A 1 261.710 234.212 246.213 1.00 0.00 C +ATOM 2 CA PRO A 2 264.829 235.481 244.429 1.00 0.00 C +ATOM 3 CA VAL A 3 265.846 233.466 241.360 1.00 0.00 C +ATOM 4 CA LYS A 4 268.757 231.883 239.478 1.00 0.00 C +ATOM 5 CA HIS A 5 272.537 232.051 239.927 1.00 0.00 C +ATOM 6 CA CYS A 6 273.221 233.782 243.251 1.00 0.00 C +ATOM 7 CA ASN A 7 274.191 235.412 246.556 1.00 0.00 C +ATOM 8 CA GLY A 8 273.848 233.833 250.007 1.00 0.00 C +ATOM 9 CA HIS A 9 272.577 230.285 250.566 1.00 0.00 C +ATOM 10 CA HIS A 10 272.702 228.321 247.303 1.00 0.00 C +ATOM 11 CA LEU A 11 269.688 227.395 245.165 1.00 0.00 C +ATOM 12 CA THR A 12 267.307 224.943 246.849 1.00 0.00 C +ATOM 13 CA THR A 13 264.249 224.011 248.921 1.00 0.00 C +ATOM 14 CA GLU A 14 264.196 221.399 251.695 1.00 0.00 C +ATOM 15 CA GLN A 15 264.622 217.640 252.144 1.00 0.00 C +ATOM 16 CA ASN A 16 262.165 215.290 253.863 1.00 0.00 C +ATOM 17 CA TRP A 17 261.203 212.777 256.560 1.00 0.00 C +ATOM 18 CA THR A 18 257.571 211.744 257.064 1.00 0.00 C +ATOM 19 CA ARG A 19 254.197 212.719 258.542 1.00 0.00 C +ATOM 20 CA GLN A 20 254.058 216.374 259.609 1.00 0.00 C +ATOM 21 CA VAL A 21 254.348 218.069 263.009 1.00 0.00 C +ATOM 22 CA ALA A 22 255.078 219.837 266.303 1.00 0.00 C +ATOM 23 CA GLU A 23 254.669 223.562 265.612 1.00 0.00 C +ATOM 24 CA GLN A 24 256.817 225.404 263.061 1.00 0.00 C +ATOM 25 CA GLN A 25 258.018 224.040 259.712 1.00 0.00 C +ATOM 26 CA THR A 26 256.979 224.535 256.080 1.00 0.00 C +ATOM 27 CA PRO A 27 257.513 223.452 252.466 1.00 0.00 C +ATOM 28 CA ALA A 28 257.297 225.682 249.385 1.00 0.00 C +ATOM 29 CA SER A 29 254.302 227.902 248.597 1.00 0.00 C +ATOM 30 CA LYS A 30 253.677 230.992 246.458 1.00 0.00 C +ATOM 31 CA PRO A 31 253.501 234.770 245.996 1.00 0.00 C +ATOM 32 CA SER A 32 253.868 235.976 242.400 1.00 0.00 C +ATOM 33 CA SER A 33 255.647 236.448 239.065 1.00 0.00 C +ATOM 34 CA ALA A 34 257.431 239.795 238.700 1.00 0.00 C +ATOM 35 CA ALA A 35 260.735 240.595 236.978 1.00 0.00 C +ATOM 36 CA SER A 36 263.433 242.247 234.855 1.00 0.00 C +ATOM 37 CA SER A 37 266.452 240.025 234.175 1.00 0.00 C +ATOM 38 CA PRO A 38 265.949 238.005 230.984 1.00 0.00 C +ATOM 39 CA ASP A 39 265.353 237.912 227.222 1.00 0.00 C +ATOM 40 CA GLY A 40 263.029 240.820 226.406 1.00 0.00 C +ATOM 41 CA ARG A 41 259.821 242.065 228.042 1.00 0.00 C +ATOM 42 CA LYS A 42 257.266 242.070 230.868 1.00 0.00 C +ATOM 43 CA GLY A 43 255.322 244.402 233.169 1.00 0.00 C +ATOM 44 CA LEU A 44 253.389 246.621 235.588 1.00 0.00 C +ATOM 45 CA ILE A 45 252.550 244.901 238.883 1.00 0.00 C +ATOM 46 CA ASP A 46 253.387 244.218 242.537 1.00 0.00 C +ATOM 47 CA SER A 47 254.227 244.733 246.217 1.00 0.00 C +ATOM 48 CA SER A 48 257.611 243.492 247.450 1.00 0.00 C +ATOM 49 CA GLY A 49 261.017 242.948 249.069 1.00 0.00 C +ATOM 50 CA SER A 50 262.539 242.202 252.481 1.00 0.00 C +ATOM 51 CA SER A 51 263.297 243.333 256.040 1.00 0.00 C +ATOM 52 CA LEU A 52 262.575 246.415 258.159 1.00 0.00 C +ATOM 53 CA GLN A 53 260.637 248.917 256.038 1.00 0.00 C +ATOM 54 CA GLU A 54 259.890 252.292 254.436 1.00 0.00 C +ATOM 55 CA SER A 55 261.137 255.890 254.307 1.00 0.00 C +ATOM 56 CA ALA A 56 259.407 259.149 253.354 1.00 0.00 C +ATOM 57 CA LEU A 57 261.026 262.418 252.255 1.00 0.00 C +ATOM 58 CA VAL A 58 263.780 263.806 254.492 1.00 0.00 C +ATOM 59 CA VAL A 59 265.183 262.056 257.572 1.00 0.00 C +ATOM 60 CA THR A 60 265.600 259.616 260.468 1.00 0.00 C +ATOM 61 CA PRO A 61 264.892 259.119 264.178 1.00 0.00 C +ATOM 62 CA GLU A 62 262.797 260.809 266.875 1.00 0.00 C +ATOM 63 CA GLU A 63 259.807 259.890 269.050 1.00 0.00 C +ATOM 64 CA GLY A 64 258.750 256.244 269.368 1.00 0.00 C +ATOM 65 CA GLU A 65 257.633 252.603 269.258 1.00 0.00 C +ATOM 66 CA GLN A 66 256.565 251.360 265.818 1.00 0.00 C +ATOM 67 CA ALA A 67 255.559 252.478 262.318 1.00 0.00 C +ATOM 68 CA LEU A 68 256.426 255.549 260.236 1.00 0.00 C +ATOM 69 CA ALA A 69 256.942 258.581 262.484 1.00 0.00 C +ATOM 70 CA THR A 70 255.792 262.169 261.919 1.00 0.00 C +ATOM 71 CA THR A 71 252.901 263.488 259.817 1.00 0.00 C +ATOM 72 CA VAL A 72 250.452 265.201 257.455 1.00 0.00 C +ATOM 73 CA GLU A 73 248.283 267.395 255.219 1.00 0.00 C +ATOM 74 CA MET A 74 245.571 266.707 252.632 1.00 0.00 C +ATOM 75 CA HIS A 75 242.402 265.748 250.747 1.00 0.00 C +ATOM 76 CA SER A 76 240.129 265.797 247.690 1.00 0.00 C +ATOM 77 CA PRO A 77 238.513 268.163 245.177 1.00 0.00 C +ATOM 78 CA PRO A 78 237.999 271.840 244.324 1.00 0.00 C +ATOM 79 CA LEU A 79 234.971 273.058 246.290 1.00 0.00 C +ATOM 80 CA VAL A 80 233.652 271.754 249.618 1.00 0.00 C +ATOM 81 CA LEU A 81 230.526 271.697 251.795 1.00 0.00 C +ATOM 82 CA LEU A 82 227.783 269.243 250.809 1.00 0.00 C +ATOM 83 CA ASP A 83 224.953 267.582 252.746 1.00 0.00 C +ATOM 84 CA PRO A 84 222.736 264.866 254.238 1.00 0.00 C +ATOM 85 CA GLY A 85 218.964 264.515 254.645 1.00 0.00 C +ATOM 86 CA ARG A 86 216.508 267.063 256.055 1.00 0.00 C +ATOM 87 CA SER A 87 215.185 267.151 259.627 1.00 0.00 C +ATOM 88 CA SER A 88 212.995 270.255 259.920 1.00 0.00 C +ATOM 89 CA LYS A 89 214.767 273.379 258.649 1.00 0.00 C +ATOM 90 CA SER A 90 216.623 273.818 255.351 1.00 0.00 C +ATOM 91 CA SER A 91 214.874 276.271 253.018 1.00 0.00 C +ATOM 92 CA ASN A 92 215.394 277.565 249.473 1.00 0.00 C +ATOM 93 CA GLY A 93 219.117 277.296 248.710 1.00 0.00 C +ATOM 94 CA ARG A 94 220.836 280.361 247.236 1.00 0.00 C +ATOM 95 CA ALA A 95 218.807 282.022 244.472 1.00 0.00 C +ATOM 96 CA ARG A 96 219.401 285.785 244.497 1.00 0.00 C +ATOM 97 CA PRO A 97 218.484 289.386 245.338 1.00 0.00 C +ATOM 98 CA GLY A 98 215.509 290.204 243.102 1.00 0.00 C +ATOM 99 CA ASP A 99 215.728 290.337 239.301 1.00 0.00 C +ATOM 100 CA LEU A 100 217.227 293.182 237.259 1.00 0.00 C +ATOM 101 CA ALA A 101 218.943 293.126 233.857 1.00 0.00 C +ATOM 102 CA ILE A 102 221.375 292.315 231.038 1.00 0.00 C +TER 103 ILE A 102 +END diff --git a/Mammals/Q3UWN4/Q3UWN4.dcd b/Mammals/Q3UWN4/Q3UWN4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..6033dbc2e640bc68d90015aff2f91dec581180e7 --- /dev/null +++ b/Mammals/Q3UWN4/Q3UWN4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6c978c1fa005caa615143da07cf3f0bd7efb8d0df48795442d991cc8f69666c5 +size 40980276 diff --git a/Mammals/Q3UWN4/top.pdb b/Mammals/Q3UWN4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..36e2712a6851302a60b6d6d18a0f3f0c8a42ee6e --- /dev/null +++ b/Mammals/Q3UWN4/top.pdb @@ -0,0 +1,225 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 231.158 296.348 257.375 1.00 0.00 C +ATOM 2 CA ALA A 2 231.750 294.295 254.220 1.00 0.00 C +ATOM 3 CA ASP A 3 234.083 291.291 254.425 1.00 0.00 C +ATOM 4 CA SER A 4 237.220 289.185 253.938 1.00 0.00 C +ATOM 5 CA ASN A 5 238.014 287.505 250.612 1.00 0.00 C +ATOM 6 CA ARG A 6 241.063 287.743 248.338 1.00 0.00 C +ATOM 7 CA SER A 7 240.883 284.763 245.971 1.00 0.00 C +ATOM 8 CA PRO A 8 243.887 284.437 243.651 1.00 0.00 C +ATOM 9 CA ARG A 9 246.588 281.781 244.061 1.00 0.00 C +ATOM 10 CA SER A 10 247.448 280.617 240.537 1.00 0.00 C +ATOM 11 CA ARG A 11 249.185 277.254 240.978 1.00 0.00 C +ATOM 12 CA PRO A 12 252.548 275.463 240.959 1.00 0.00 C +ATOM 13 CA LYS A 13 256.104 276.219 239.822 1.00 0.00 C +ATOM 14 CA PRO A 14 259.189 277.335 237.884 1.00 0.00 C +ATOM 15 CA ARG A 15 262.323 279.412 238.503 1.00 0.00 C +ATOM 16 CA GLY A 16 262.131 283.125 239.338 1.00 0.00 C +ATOM 17 CA PRO A 17 259.214 285.554 239.018 1.00 0.00 C +ATOM 18 CA ARG A 18 256.673 286.682 241.624 1.00 0.00 C +ATOM 19 CA ARG A 19 254.343 286.638 244.638 1.00 0.00 C +ATOM 20 CA SER A 20 252.117 289.507 245.792 1.00 0.00 C +ATOM 21 CA LYS A 21 248.436 290.320 246.344 1.00 0.00 C +ATOM 22 CA SER A 22 245.220 290.953 244.402 1.00 0.00 C +ATOM 23 CA ASP A 23 241.829 291.646 242.811 1.00 0.00 C +ATOM 24 CA SER A 24 238.126 291.409 241.944 1.00 0.00 C +ATOM 25 CA ASP A 25 236.460 288.040 242.569 1.00 0.00 C +ATOM 26 CA THR A 26 233.759 285.747 241.169 1.00 0.00 C +ATOM 27 CA LEU A 27 231.222 286.998 238.616 1.00 0.00 C +ATOM 28 CA PHE A 28 229.287 290.280 238.676 1.00 0.00 C +ATOM 29 CA GLU A 29 226.996 292.338 240.919 1.00 0.00 C +ATOM 30 CA THR A 30 225.630 294.030 244.047 1.00 0.00 C +ATOM 31 CA SER A 31 222.305 293.221 245.723 1.00 0.00 C +ATOM 32 CA PRO A 32 220.010 290.342 244.739 1.00 0.00 C +ATOM 33 CA SER A 33 218.102 289.971 241.462 1.00 0.00 C +ATOM 34 CA SER A 34 219.565 292.656 239.189 1.00 0.00 C +ATOM 35 CA VAL A 35 220.468 293.754 235.655 1.00 0.00 C +ATOM 36 CA ALA A 36 217.958 293.153 232.852 1.00 0.00 C +ATOM 37 CA THR A 37 217.013 289.514 232.235 1.00 0.00 C +ATOM 38 CA ARG A 38 213.970 287.280 231.719 1.00 0.00 C +ATOM 39 CA ARG A 39 212.042 285.180 234.246 1.00 0.00 C +ATOM 40 CA THR A 40 208.986 286.815 235.829 1.00 0.00 C +ATOM 41 CA THR A 41 207.918 289.522 233.370 1.00 0.00 C +ATOM 42 CA ARG A 42 207.698 287.764 229.996 1.00 0.00 C +ATOM 43 CA GLN A 43 205.948 287.055 226.687 1.00 0.00 C +ATOM 44 CA THR A 44 207.798 286.363 223.429 1.00 0.00 C +ATOM 45 CA THR A 45 207.985 282.607 222.818 1.00 0.00 C +ATOM 46 CA ILE A 46 208.156 278.807 223.039 1.00 0.00 C +ATOM 47 CA THR A 47 210.660 276.502 224.751 1.00 0.00 C +ATOM 48 CA ALA A 48 214.364 276.314 225.622 1.00 0.00 C +ATOM 49 CA HIS A 49 217.657 278.227 225.486 1.00 0.00 C +ATOM 50 CA PHE A 50 221.242 278.467 226.753 1.00 0.00 C +ATOM 51 CA THR A 51 223.805 276.827 224.460 1.00 0.00 C +ATOM 52 CA LYS A 52 225.475 277.680 221.143 1.00 0.00 C +ATOM 53 CA GLY A 53 227.761 277.358 218.112 1.00 0.00 C +ATOM 54 CA PRO A 54 228.545 280.764 216.594 1.00 0.00 C +ATOM 55 CA THR A 55 231.738 280.513 214.531 1.00 0.00 C +ATOM 56 CA LYS A 56 232.931 281.045 210.952 1.00 0.00 C +ATOM 57 CA ARG A 57 234.886 283.541 208.840 1.00 0.00 C +ATOM 58 CA LYS A 58 238.522 284.453 208.159 1.00 0.00 C +ATOM 59 CA PRO A 59 241.072 285.853 210.619 1.00 0.00 C +ATOM 60 CA LYS A 60 242.193 289.320 209.507 1.00 0.00 C +ATOM 61 CA GLU A 61 241.060 291.331 206.475 1.00 0.00 C +ATOM 62 CA GLU A 62 243.175 292.407 203.495 1.00 0.00 C +ATOM 63 CA SER A 63 245.846 289.711 203.154 1.00 0.00 C +ATOM 64 CA GLU A 64 249.179 287.922 202.699 1.00 0.00 C +ATOM 65 CA GLU A 65 251.529 287.088 205.580 1.00 0.00 C +ATOM 66 CA GLY A 66 255.018 286.884 204.061 1.00 0.00 C +ATOM 67 CA ASN A 67 257.343 283.909 204.568 1.00 0.00 C +ATOM 68 CA SER A 68 256.441 280.889 202.428 1.00 0.00 C +ATOM 69 CA ALA A 69 255.906 277.640 200.510 1.00 0.00 C +ATOM 70 CA GLU A 70 254.277 274.318 201.418 1.00 0.00 C +ATOM 71 CA SER A 71 251.861 275.014 204.281 1.00 0.00 C +ATOM 72 CA ALA A 72 248.083 274.904 204.765 1.00 0.00 C +ATOM 73 CA ALA A 73 246.014 272.292 206.613 1.00 0.00 C +ATOM 74 CA GLU A 74 243.203 269.741 206.943 1.00 0.00 C +ATOM 75 CA GLU A 75 240.318 267.932 208.650 1.00 0.00 C +ATOM 76 CA ARG A 76 237.339 268.727 210.889 1.00 0.00 C +ATOM 77 CA ASP A 77 234.284 268.176 213.098 1.00 0.00 C +ATOM 78 CA GLN A 78 232.303 265.773 215.293 1.00 0.00 C +ATOM 79 CA ASP A 79 232.315 262.065 214.415 1.00 0.00 C +ATOM 80 CA LYS A 80 233.978 258.645 214.645 1.00 0.00 C +ATOM 81 CA LYS A 81 231.611 256.446 216.665 1.00 0.00 C +ATOM 82 CA ARG A 82 228.486 255.894 214.557 1.00 0.00 C +ATOM 83 CA ARG A 83 225.900 258.170 212.929 1.00 0.00 C +ATOM 84 CA VAL A 84 222.695 258.262 214.986 1.00 0.00 C +ATOM 85 CA VAL A 85 219.752 256.014 215.885 1.00 0.00 C +ATOM 86 CA ASP A 86 219.312 255.474 219.631 1.00 0.00 C +ATOM 87 CA THR A 87 221.572 257.867 221.549 1.00 0.00 C +ATOM 88 CA GLU A 88 225.051 259.104 222.488 1.00 0.00 C +ATOM 89 CA SER A 89 227.270 261.768 220.908 1.00 0.00 C +ATOM 90 CA GLY A 90 230.963 262.700 221.009 1.00 0.00 C +ATOM 91 CA ALA A 91 232.607 259.812 222.873 1.00 0.00 C +ATOM 92 CA ALA A 92 236.337 260.581 222.970 1.00 0.00 C +ATOM 93 CA ALA A 93 239.290 259.686 225.205 1.00 0.00 C +ATOM 94 CA ALA A 94 238.507 258.307 228.670 1.00 0.00 C +ATOM 95 CA VAL A 95 236.759 256.545 231.561 1.00 0.00 C +ATOM 96 CA GLU A 96 236.147 253.113 233.098 1.00 0.00 C +ATOM 97 CA LYS A 97 238.269 250.819 235.277 1.00 0.00 C +ATOM 98 CA LEU A 98 236.881 247.399 236.218 1.00 0.00 C +ATOM 99 CA GLU A 99 235.046 244.805 238.322 1.00 0.00 C +ATOM 100 CA GLU A 100 234.031 243.056 241.551 1.00 0.00 C +ATOM 101 CA VAL A 101 236.468 242.696 244.458 1.00 0.00 C +ATOM 102 CA THR A 102 239.111 244.302 246.683 1.00 0.00 C +ATOM 103 CA ALA A 103 240.797 247.553 245.631 1.00 0.00 C +ATOM 104 CA GLY A 104 244.588 247.932 245.588 1.00 0.00 C +ATOM 105 CA THR A 105 247.224 246.521 247.949 1.00 0.00 C +ATOM 106 CA GLN A 106 250.799 246.185 249.221 1.00 0.00 C +ATOM 107 CA LEU A 107 252.206 243.410 251.421 1.00 0.00 C +ATOM 108 CA GLY A 108 255.810 242.888 250.302 1.00 0.00 C +ATOM 109 CA PRO A 109 256.000 240.061 247.755 1.00 0.00 C +ATOM 110 CA GLU A 110 254.668 236.491 247.778 1.00 0.00 C +ATOM 111 CA GLU A 111 251.565 234.645 246.562 1.00 0.00 C +ATOM 112 CA PRO A 112 248.541 235.711 248.620 1.00 0.00 C +ATOM 113 CA CYS A 113 248.365 233.976 252.007 1.00 0.00 C +ATOM 114 CA GLU A 114 247.005 234.466 255.532 1.00 0.00 C +ATOM 115 CA GLN A 115 247.508 232.826 258.934 1.00 0.00 C +ATOM 116 CA GLU A 116 248.804 235.408 261.418 1.00 0.00 C +ATOM 117 CA ASP A 117 249.989 235.527 265.037 1.00 0.00 C +ATOM 118 CA ASP A 118 250.264 237.775 268.101 1.00 0.00 C +ATOM 119 CA ASN A 119 250.395 236.840 271.792 1.00 0.00 C +ATOM 120 CA ARG A 120 249.281 239.877 273.806 1.00 0.00 C +ATOM 121 CA SER A 121 247.684 241.531 276.843 1.00 0.00 C +ATOM 122 CA LEU A 122 246.268 244.503 278.762 1.00 0.00 C +ATOM 123 CA ARG A 123 248.485 247.024 280.564 1.00 0.00 C +ATOM 124 CA ARG A 124 246.519 250.179 281.399 1.00 0.00 C +ATOM 125 CA HIS A 125 243.878 251.904 279.262 1.00 0.00 C +ATOM 126 CA THR A 126 241.237 249.672 277.662 1.00 0.00 C +ATOM 127 CA ARG A 127 237.601 249.882 276.544 1.00 0.00 C +ATOM 128 CA GLU A 128 235.141 249.945 279.453 1.00 0.00 C +ATOM 129 CA LEU A 129 232.246 248.782 281.641 1.00 0.00 C +ATOM 130 CA SER A 130 229.478 249.434 284.176 1.00 0.00 C +ATOM 131 CA LEU A 131 229.105 246.403 286.455 1.00 0.00 C +ATOM 132 CA ARG A 132 231.100 243.968 288.601 1.00 0.00 C +ATOM 133 CA ARG A 133 233.390 245.331 291.324 1.00 0.00 C +ATOM 134 CA LYS A 134 234.893 247.101 294.345 1.00 0.00 C +ATOM 135 CA SER A 135 238.418 246.414 295.615 1.00 0.00 C +ATOM 136 CA LYS A 136 241.649 247.540 297.291 1.00 0.00 C +ATOM 137 CA GLU A 137 244.436 250.078 296.736 1.00 0.00 C +ATOM 138 CA ASP A 138 244.163 252.799 294.083 1.00 0.00 C +ATOM 139 CA PRO A 139 245.731 251.337 290.934 1.00 0.00 C +ATOM 140 CA ASP A 140 245.461 249.447 287.637 1.00 0.00 C +ATOM 141 CA ARG A 141 244.913 245.961 286.200 1.00 0.00 C +ATOM 142 CA GLU A 142 241.810 243.786 286.600 1.00 0.00 C +ATOM 143 CA ALA A 143 239.195 243.081 289.279 1.00 0.00 C +ATOM 144 CA ARG A 144 237.486 239.890 290.469 1.00 0.00 C +ATOM 145 CA PRO A 145 240.167 237.385 291.496 1.00 0.00 C +ATOM 146 CA GLU A 146 243.218 236.792 289.292 1.00 0.00 C +ATOM 147 CA THR A 147 246.288 237.533 291.423 1.00 0.00 C +ATOM 148 CA HIS A 148 249.699 237.355 293.111 1.00 0.00 C +ATOM 149 CA LEU A 149 251.211 234.015 292.075 1.00 0.00 C +ATOM 150 CA ASP A 150 255.008 234.310 291.965 1.00 0.00 C +ATOM 151 CA GLU A 151 256.191 235.662 288.605 1.00 0.00 C +ATOM 152 CA ASP A 152 258.136 232.783 287.042 1.00 0.00 C +ATOM 153 CA GLU A 153 256.441 231.347 283.947 1.00 0.00 C +ATOM 154 CA ASP A 154 258.629 229.490 281.441 1.00 0.00 C +ATOM 155 CA GLY A 155 259.192 226.057 279.888 1.00 0.00 C +ATOM 156 CA LYS A 156 261.512 223.582 278.155 1.00 0.00 C +ATOM 157 CA LYS A 157 260.176 220.379 276.583 1.00 0.00 C +ATOM 158 CA ASP A 158 260.934 219.979 272.870 1.00 0.00 C +ATOM 159 CA LYS A 159 258.919 218.289 270.113 1.00 0.00 C +ATOM 160 CA ARG A 160 258.567 215.159 267.970 1.00 0.00 C +ATOM 161 CA SER A 161 260.884 212.188 268.539 1.00 0.00 C +ATOM 162 CA SER A 162 263.665 209.704 269.320 1.00 0.00 C +ATOM 163 CA ARG A 163 262.157 206.799 271.270 1.00 0.00 C +ATOM 164 CA PRO A 164 260.025 204.064 269.692 1.00 0.00 C +ATOM 165 CA ARG A 165 259.361 204.023 265.940 1.00 0.00 C +ATOM 166 CA SER A 166 260.638 206.537 263.378 1.00 0.00 C +ATOM 167 CA GLN A 167 260.839 206.659 259.575 1.00 0.00 C +ATOM 168 CA PRO A 168 263.798 204.867 257.979 1.00 0.00 C +ATOM 169 CA ARG A 169 264.855 206.725 254.826 1.00 0.00 C +ATOM 170 CA ASP A 170 266.537 208.537 251.927 1.00 0.00 C +ATOM 171 CA PRO A 171 270.284 209.220 252.036 1.00 0.00 C +ATOM 172 CA ALA A 172 271.786 212.336 250.438 1.00 0.00 C +ATOM 173 CA ALA A 173 272.333 215.039 253.066 1.00 0.00 C +ATOM 174 CA LYS A 174 273.941 218.480 253.357 1.00 0.00 C +ATOM 175 CA ARG A 175 276.385 218.654 250.439 1.00 0.00 C +ATOM 176 CA ARG A 176 279.172 221.117 251.266 1.00 0.00 C +ATOM 177 CA PRO A 177 281.879 223.379 249.827 1.00 0.00 C +ATOM 178 CA LYS A 178 285.005 225.316 250.823 1.00 0.00 C +ATOM 179 CA GLU A 179 288.418 223.970 249.798 1.00 0.00 C +ATOM 180 CA ALA A 180 292.103 223.305 249.093 1.00 0.00 C +ATOM 181 CA GLU A 181 293.440 220.093 250.645 1.00 0.00 C +ATOM 182 CA PRO A 182 291.669 217.825 253.142 1.00 0.00 C +ATOM 183 CA GLU A 183 290.572 218.026 256.785 1.00 0.00 C +ATOM 184 CA GLN A 184 289.563 215.279 259.226 1.00 0.00 C +ATOM 185 CA VAL A 185 286.300 214.839 261.142 1.00 0.00 C +ATOM 186 CA ALA A 186 283.767 217.494 262.168 1.00 0.00 C +ATOM 187 CA PRO A 187 280.963 218.859 264.357 1.00 0.00 C +ATOM 188 CA GLU A 188 281.255 222.165 266.229 1.00 0.00 C +ATOM 189 CA THR A 189 282.011 225.544 267.820 1.00 0.00 C +ATOM 190 CA PRO A 190 285.499 226.351 269.121 1.00 0.00 C +ATOM 191 CA GLU A 191 287.403 224.888 272.079 1.00 0.00 C +ATOM 192 CA ASP A 192 285.539 223.391 275.046 1.00 0.00 C +ATOM 193 CA ARG A 193 284.566 220.896 277.756 1.00 0.00 C +ATOM 194 CA ASP A 194 282.068 218.070 277.220 1.00 0.00 C +ATOM 195 CA GLU A 195 281.737 216.536 273.748 1.00 0.00 C +ATOM 196 CA ASP A 196 283.039 218.310 270.638 1.00 0.00 C +ATOM 197 CA GLU A 197 286.374 216.717 269.712 1.00 0.00 C +ATOM 198 CA ARG A 198 288.951 215.626 272.298 1.00 0.00 C +ATOM 199 CA GLU A 199 290.761 214.277 275.367 1.00 0.00 C +ATOM 200 CA GLU A 200 293.486 211.630 275.085 1.00 0.00 C +ATOM 201 CA LYS A 201 293.738 209.055 272.288 1.00 0.00 C +ATOM 202 CA ARG A 202 292.748 210.193 268.789 1.00 0.00 C +ATOM 203 CA ARG A 203 289.769 211.023 266.563 1.00 0.00 C +ATOM 204 CA LYS A 204 287.750 207.862 265.896 1.00 0.00 C +ATOM 205 CA THR A 205 286.095 205.462 263.443 1.00 0.00 C +ATOM 206 CA THR A 206 287.787 204.532 260.159 1.00 0.00 C +ATOM 207 CA ARG A 207 286.087 202.240 257.635 1.00 0.00 C +ATOM 208 CA LYS A 208 284.421 199.178 259.172 1.00 0.00 C +ATOM 209 CA LYS A 209 281.359 198.229 261.231 1.00 0.00 C +ATOM 210 CA LEU A 210 278.033 199.990 260.635 1.00 0.00 C +ATOM 211 CA GLU A 211 278.562 202.632 257.942 1.00 0.00 C +ATOM 212 CA SER A 212 276.097 205.530 258.139 1.00 0.00 C +ATOM 213 CA HIS A 213 275.157 209.219 257.979 1.00 0.00 C +ATOM 214 CA THR A 214 275.203 211.923 260.662 1.00 0.00 C +ATOM 215 CA VAL A 215 271.591 212.542 261.704 1.00 0.00 C +ATOM 216 CA PRO A 216 270.519 215.853 263.255 1.00 0.00 C +ATOM 217 CA VAL A 217 271.609 218.581 265.681 1.00 0.00 C +ATOM 218 CA GLN A 218 270.197 220.974 268.288 1.00 0.00 C +ATOM 219 CA SER A 219 267.105 222.309 270.068 1.00 0.00 C +ATOM 220 CA ARG A 220 265.760 225.857 270.415 1.00 0.00 C +ATOM 221 CA SER A 221 267.810 228.907 269.409 1.00 0.00 C +TER 222 SER A 221 +END diff --git a/Mammals/Q3UZP4/Q3UZP4.dcd b/Mammals/Q3UZP4/Q3UZP4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c9ced7aa3780be7ff4233ce3cf5ea477b7f8d945 --- /dev/null +++ b/Mammals/Q3UZP4/Q3UZP4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:30d4a96d2cc447e3b59afdddf799de712ce6082832c1fd7d21ff970ca965a0b7 +size 10040276 diff --git a/Mammals/Q3UZP4/top.pdb b/Mammals/Q3UZP4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..07fe0f4365454c9c9c3b35ed9e35bdd87c718abd --- /dev/null +++ b/Mammals/Q3UZP4/top.pdb @@ -0,0 +1,81 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 228.109 252.306 291.086 1.00 0.00 C +ATOM 2 CA GLY A 2 228.610 251.857 287.336 1.00 0.00 C +ATOM 3 CA LEU A 3 231.604 251.763 284.981 1.00 0.00 C +ATOM 4 CA CYS A 4 231.208 252.622 281.291 1.00 0.00 C +ATOM 5 CA PHE A 5 231.345 254.866 278.215 1.00 0.00 C +ATOM 6 CA PRO A 6 227.774 255.583 277.096 1.00 0.00 C +ATOM 7 CA CYS A 7 226.075 257.242 274.117 1.00 0.00 C +ATOM 8 CA PRO A 8 228.703 257.670 271.391 1.00 0.00 C +ATOM 9 CA ALA A 9 232.428 258.304 270.908 1.00 0.00 C +ATOM 10 CA GLU A 10 235.970 257.053 270.268 1.00 0.00 C +ATOM 11 CA SER A 11 237.778 255.660 267.218 1.00 0.00 C +ATOM 12 CA ALA A 12 237.619 256.140 263.441 1.00 0.00 C +ATOM 13 CA PRO A 13 238.154 252.635 262.045 1.00 0.00 C +ATOM 14 CA PRO A 14 237.070 249.392 260.365 1.00 0.00 C +ATOM 15 CA SER A 15 233.605 248.682 261.781 1.00 0.00 C +ATOM 16 CA PRO A 16 233.711 246.323 264.771 1.00 0.00 C +ATOM 17 CA SER A 17 231.438 243.396 265.654 1.00 0.00 C +ATOM 18 CA PRO A 18 231.927 240.836 268.433 1.00 0.00 C +ATOM 19 CA GLU A 19 228.751 238.732 268.500 1.00 0.00 C +ATOM 20 CA GLU A 20 229.582 235.138 267.549 1.00 0.00 C +ATOM 21 CA LYS A 21 233.186 234.289 268.447 1.00 0.00 C +ATOM 22 CA ARG A 22 236.701 233.021 267.705 1.00 0.00 C +ATOM 23 CA GLU A 23 239.748 233.053 265.418 1.00 0.00 C +ATOM 24 CA LYS A 24 243.531 232.760 265.070 1.00 0.00 C +ATOM 25 CA LEU A 25 246.938 232.754 263.364 1.00 0.00 C +ATOM 26 CA ALA A 26 249.659 230.627 264.973 1.00 0.00 C +ATOM 27 CA GLU A 27 251.309 227.663 266.708 1.00 0.00 C +ATOM 28 CA ALA A 28 252.123 224.010 265.997 1.00 0.00 C +ATOM 29 CA ALA A 29 254.831 221.874 267.615 1.00 0.00 C +ATOM 30 CA GLU A 30 258.121 221.381 265.758 1.00 0.00 C +ATOM 31 CA ARG A 31 261.788 220.554 265.137 1.00 0.00 C +ATOM 32 CA ARG A 32 264.786 219.385 267.176 1.00 0.00 C +ATOM 33 CA GLN A 33 267.319 218.163 264.606 1.00 0.00 C +ATOM 34 CA LYS A 34 270.001 219.043 262.047 1.00 0.00 C +ATOM 35 CA GLU A 35 271.642 220.115 258.779 1.00 0.00 C +ATOM 36 CA ALA A 36 272.088 223.743 257.703 1.00 0.00 C +ATOM 37 CA ALA A 37 275.443 225.530 257.966 1.00 0.00 C +ATOM 38 CA THR A 38 276.895 228.044 255.500 1.00 0.00 C +ATOM 39 CA ARG A 39 276.471 231.360 253.672 1.00 0.00 C +ATOM 40 CA GLY A 40 278.688 232.931 251.002 1.00 0.00 C +ATOM 41 CA ILE A 41 280.075 236.166 252.460 1.00 0.00 C +ATOM 42 CA LEU A 42 278.694 239.541 251.357 1.00 0.00 C +ATOM 43 CA ASP A 43 277.699 240.362 247.772 1.00 0.00 C +ATOM 44 CA ILE A 44 274.032 241.338 247.426 1.00 0.00 C +ATOM 45 CA GLN A 45 271.296 243.431 245.798 1.00 0.00 C +ATOM 46 CA SER A 46 271.794 247.198 245.525 1.00 0.00 C +ATOM 47 CA VAL A 47 270.183 250.627 245.118 1.00 0.00 C +ATOM 48 CA GLU A 48 267.800 252.474 242.789 1.00 0.00 C +ATOM 49 CA ALA A 49 268.374 255.219 240.210 1.00 0.00 C +ATOM 50 CA LYS A 50 267.791 258.655 238.671 1.00 0.00 C +ATOM 51 CA LYS A 51 266.270 258.837 235.182 1.00 0.00 C +ATOM 52 CA LYS A 52 264.120 260.564 232.553 1.00 0.00 C +ATOM 53 CA LYS A 53 262.124 263.768 233.064 1.00 0.00 C +ATOM 54 CA LYS A 54 264.258 266.307 234.938 1.00 0.00 C +ATOM 55 CA GLU A 55 266.771 269.104 235.551 1.00 0.00 C +ATOM 56 CA GLN A 56 267.092 272.634 236.949 1.00 0.00 C +ATOM 57 CA LEU A 57 264.835 275.700 236.795 1.00 0.00 C +ATOM 58 CA GLU A 58 261.092 276.400 236.926 1.00 0.00 C +ATOM 59 CA LYS A 59 258.225 275.742 234.505 1.00 0.00 C +ATOM 60 CA GLN A 60 256.896 273.752 231.540 1.00 0.00 C +ATOM 61 CA MET A 61 255.641 276.375 229.078 1.00 0.00 C +ATOM 62 CA ALA A 62 252.774 277.089 226.673 1.00 0.00 C +ATOM 63 CA THR A 63 250.807 277.742 223.476 1.00 0.00 C +ATOM 64 CA SER A 64 247.884 275.299 223.510 1.00 0.00 C +ATOM 65 CA GLY A 65 248.034 272.312 221.150 1.00 0.00 C +ATOM 66 CA PRO A 66 247.350 269.211 219.044 1.00 0.00 C +ATOM 67 CA PRO A 67 246.184 265.700 219.951 1.00 0.00 C +ATOM 68 CA THR A 68 243.355 264.857 222.361 1.00 0.00 C +ATOM 69 CA ALA A 69 241.291 261.880 221.180 1.00 0.00 C +ATOM 70 CA GLY A 70 237.915 262.639 219.586 1.00 0.00 C +ATOM 71 CA GLY A 71 235.615 263.436 216.654 1.00 0.00 C +ATOM 72 CA LEU A 72 233.658 261.178 214.290 1.00 0.00 C +ATOM 73 CA ARG A 73 230.137 259.798 214.753 1.00 0.00 C +ATOM 74 CA TRP A 74 227.978 261.814 217.159 1.00 0.00 C +ATOM 75 CA THR A 75 225.483 263.876 219.170 1.00 0.00 C +ATOM 76 CA VAL A 76 223.116 265.249 221.821 1.00 0.00 C +ATOM 77 CA SER A 77 220.631 267.225 223.926 1.00 0.00 C +TER 78 SER A 77 +END diff --git a/Mammals/Q3UZU4/Q3UZU4.dcd b/Mammals/Q3UZU4/Q3UZU4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8be145d2690864da497b4b9c3f30f485e01ae4e0 --- /dev/null +++ b/Mammals/Q3UZU4/Q3UZU4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4b13ebfd66e7fd1f0fd1f6908655ce3be02ae4241877faf8561ac59ceedf502b +size 15320276 diff --git a/Mammals/Q3UZU4/top.pdb b/Mammals/Q3UZU4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1f3e81011e96449f0a8e2cf35bc6eca86ff0ff3f --- /dev/null +++ b/Mammals/Q3UZU4/top.pdb @@ -0,0 +1,125 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 256.009 261.721 227.136 1.00 0.00 C +ATOM 2 CA TYR A 2 254.156 263.912 229.642 1.00 0.00 C +ATOM 3 CA LEU A 3 250.608 265.228 230.087 1.00 0.00 C +ATOM 4 CA LYS A 4 249.472 268.844 229.700 1.00 0.00 C +ATOM 5 CA PRO A 5 246.169 270.385 230.810 1.00 0.00 C +ATOM 6 CA ALA A 6 242.695 271.522 231.886 1.00 0.00 C +ATOM 7 CA SER A 7 241.053 273.972 229.475 1.00 0.00 C +ATOM 8 CA ASN A 8 238.031 274.861 227.331 1.00 0.00 C +ATOM 9 CA ASN A 9 235.326 277.154 225.936 1.00 0.00 C +ATOM 10 CA LEU A 10 232.288 279.370 226.547 1.00 0.00 C +ATOM 11 CA THR A 11 229.681 277.896 228.901 1.00 0.00 C +ATOM 12 CA VAL A 12 226.845 275.408 229.432 1.00 0.00 C +ATOM 13 CA PRO A 13 223.429 274.738 227.882 1.00 0.00 C +ATOM 14 CA GLN A 14 222.555 276.186 224.469 1.00 0.00 C +ATOM 15 CA GLY A 15 223.929 275.291 221.030 1.00 0.00 C +ATOM 16 CA HIS A 16 224.410 271.623 220.119 1.00 0.00 C +ATOM 17 CA ALA A 17 226.291 268.748 221.768 1.00 0.00 C +ATOM 18 CA GLY A 18 224.672 267.896 225.110 1.00 0.00 C +ATOM 19 CA CYS A 19 224.746 265.480 228.055 1.00 0.00 C +ATOM 20 CA HIS A 20 222.166 263.172 229.647 1.00 0.00 C +ATOM 21 CA THR A 21 219.133 260.920 230.144 1.00 0.00 C +ATOM 22 CA SER A 22 217.202 257.863 228.945 1.00 0.00 C +ATOM 23 CA PHE A 23 214.696 254.995 228.825 1.00 0.00 C +ATOM 24 CA THR A 24 211.208 255.241 230.339 1.00 0.00 C +ATOM 25 CA GLY A 25 209.390 257.877 228.275 1.00 0.00 C +ATOM 26 CA GLN A 26 208.538 261.084 230.148 1.00 0.00 C +ATOM 27 CA GLY A 27 207.195 262.545 233.400 1.00 0.00 C +ATOM 28 CA THR A 28 208.556 263.012 236.928 1.00 0.00 C +ATOM 29 CA ASN A 29 207.166 262.130 240.364 1.00 0.00 C +ATOM 30 CA SER A 30 203.910 263.365 241.910 1.00 0.00 C +ATOM 31 CA SER A 31 203.328 262.612 245.599 1.00 0.00 C +ATOM 32 CA GLU A 32 201.638 260.221 248.038 1.00 0.00 C +ATOM 33 CA THR A 33 203.149 256.877 249.062 1.00 0.00 C +ATOM 34 CA PRO A 34 205.568 257.327 251.970 1.00 0.00 C +ATOM 35 CA ALA A 35 206.709 260.916 252.544 1.00 0.00 C +ATOM 36 CA THR A 36 209.433 261.722 250.004 1.00 0.00 C +ATOM 37 CA ARG A 37 210.227 263.485 246.722 1.00 0.00 C +ATOM 38 CA MET A 38 213.826 264.513 246.008 1.00 0.00 C +ATOM 39 CA SER A 39 215.545 261.997 243.722 1.00 0.00 C +ATOM 40 CA ILE A 40 215.726 258.261 244.447 1.00 0.00 C +ATOM 41 CA ILE A 41 214.398 255.373 242.346 1.00 0.00 C +ATOM 42 CA GLN A 42 216.821 254.862 239.450 1.00 0.00 C +ATOM 43 CA THR A 43 219.411 257.629 239.060 1.00 0.00 C +ATOM 44 CA ASP A 44 220.339 261.323 238.969 1.00 0.00 C +ATOM 45 CA ASN A 45 222.591 264.073 237.597 1.00 0.00 C +ATOM 46 CA PHE A 46 225.367 266.221 239.079 1.00 0.00 C +ATOM 47 CA PRO A 47 229.015 265.249 239.595 1.00 0.00 C +ATOM 48 CA ALA A 48 232.158 265.070 237.448 1.00 0.00 C +ATOM 49 CA GLU A 49 233.222 265.072 233.790 1.00 0.00 C +ATOM 50 CA PRO A 50 232.900 263.133 230.527 1.00 0.00 C +ATOM 51 CA ASN A 51 233.580 264.442 227.014 1.00 0.00 C +ATOM 52 CA TYR A 52 236.530 266.818 226.603 1.00 0.00 C +ATOM 53 CA MET A 53 239.361 266.485 229.131 1.00 0.00 C +ATOM 54 CA GLY A 54 239.148 263.184 231.021 1.00 0.00 C +ATOM 55 CA SER A 55 238.618 262.163 234.653 1.00 0.00 C +ATOM 56 CA ARG A 56 242.139 261.668 236.021 1.00 0.00 C +ATOM 57 CA GLN A 57 243.706 263.967 238.625 1.00 0.00 C +ATOM 58 CA GLN A 58 244.622 264.049 242.322 1.00 0.00 C +ATOM 59 CA PHE A 59 248.053 265.595 242.917 1.00 0.00 C +ATOM 60 CA VAL A 60 249.693 266.283 246.286 1.00 0.00 C +ATOM 61 CA GLN A 61 252.753 264.484 247.671 1.00 0.00 C +ATOM 62 CA SER A 62 254.938 264.739 250.781 1.00 0.00 C +ATOM 63 CA SER A 63 257.383 261.825 250.553 1.00 0.00 C +ATOM 64 CA SER A 64 260.751 260.044 250.564 1.00 0.00 C +ATOM 65 CA THR A 65 260.352 257.121 248.153 1.00 0.00 C +ATOM 66 CA PHE A 66 260.946 257.187 244.391 1.00 0.00 C +ATOM 67 CA LYS A 67 263.659 254.718 243.363 1.00 0.00 C +ATOM 68 CA ASP A 68 264.303 255.078 239.625 1.00 0.00 C +ATOM 69 CA PRO A 69 267.637 253.569 238.566 1.00 0.00 C +ATOM 70 CA GLU A 70 268.455 250.360 240.449 1.00 0.00 C +ATOM 71 CA ARG A 71 269.665 250.944 244.014 1.00 0.00 C +ATOM 72 CA ALA A 72 271.428 253.675 246.003 1.00 0.00 C +ATOM 73 CA SER A 73 273.031 252.280 249.166 1.00 0.00 C +ATOM 74 CA LEU A 74 272.196 249.990 252.094 1.00 0.00 C +ATOM 75 CA ARG A 75 272.004 246.632 253.885 1.00 0.00 C +ATOM 76 CA ASP A 76 268.275 246.052 254.403 1.00 0.00 C +ATOM 77 CA GLY A 77 266.654 248.375 256.951 1.00 0.00 C +ATOM 78 CA GLY A 78 267.475 246.779 260.312 1.00 0.00 C +ATOM 79 CA HIS A 79 265.934 243.368 261.022 1.00 0.00 C +ATOM 80 CA GLY A 80 264.102 243.265 264.361 1.00 0.00 C +ATOM 81 CA ASP A 81 263.628 240.454 266.888 1.00 0.00 C +ATOM 82 CA SER A 82 263.761 236.953 268.386 1.00 0.00 C +ATOM 83 CA ASP A 83 262.384 235.459 271.609 1.00 0.00 C +ATOM 84 CA GLN A 84 259.811 234.785 274.337 1.00 0.00 C +ATOM 85 CA ALA A 85 258.497 233.411 277.639 1.00 0.00 C +ATOM 86 CA ASP A 86 256.438 234.513 280.650 1.00 0.00 C +ATOM 87 CA SER A 87 258.563 237.030 282.563 1.00 0.00 C +ATOM 88 CA ASP A 88 262.029 238.602 282.757 1.00 0.00 C +ATOM 89 CA GLN A 89 263.537 242.048 283.364 1.00 0.00 C +ATOM 90 CA ASP A 90 266.808 242.887 285.129 1.00 0.00 C +ATOM 91 CA THR A 91 269.791 241.694 287.178 1.00 0.00 C +ATOM 92 CA ASN A 92 273.585 241.426 287.392 1.00 0.00 C +ATOM 93 CA LYS A 93 275.827 238.346 287.465 1.00 0.00 C +ATOM 94 CA GLY A 94 279.395 239.658 287.710 1.00 0.00 C +ATOM 95 CA SER A 95 280.255 241.120 291.122 1.00 0.00 C +ATOM 96 CA CYS A 96 283.925 240.476 291.915 1.00 0.00 C +ATOM 97 CA CYS A 97 285.164 236.888 291.584 1.00 0.00 C +ATOM 98 CA ASP A 98 286.685 235.702 288.298 1.00 0.00 C +ATOM 99 CA MET A 99 286.411 234.703 284.631 1.00 0.00 C +ATOM 100 CA SER A 100 284.438 231.454 284.371 1.00 0.00 C +ATOM 101 CA VAL A 101 281.897 231.696 281.543 1.00 0.00 C +ATOM 102 CA ARG A 102 281.588 231.956 277.754 1.00 0.00 C +ATOM 103 CA GLU A 103 278.509 230.126 276.455 1.00 0.00 C +ATOM 104 CA ALA A 104 278.489 226.338 276.869 1.00 0.00 C +ATOM 105 CA LEU A 105 277.675 224.308 273.750 1.00 0.00 C +ATOM 106 CA LYS A 106 277.139 220.630 272.916 1.00 0.00 C +ATOM 107 CA MET A 107 278.954 217.510 274.138 1.00 0.00 C +ATOM 108 CA LYS A 108 280.231 214.284 272.564 1.00 0.00 C +ATOM 109 CA THR A 109 279.491 213.751 268.865 1.00 0.00 C +ATOM 110 CA THR A 110 281.668 216.171 266.884 1.00 0.00 C +ATOM 111 CA SER A 111 284.400 215.107 264.450 1.00 0.00 C +ATOM 112 CA THR A 112 285.327 214.934 260.759 1.00 0.00 C +ATOM 113 CA LYS A 113 287.710 213.533 258.138 1.00 0.00 C +ATOM 114 CA SER A 114 285.452 211.689 255.685 1.00 0.00 C +ATOM 115 CA GLN A 115 285.688 212.710 252.022 1.00 0.00 C +ATOM 116 CA PRO A 116 287.526 211.468 248.925 1.00 0.00 C +ATOM 117 CA LEU A 117 287.524 207.804 247.878 1.00 0.00 C +ATOM 118 CA GLU A 118 289.498 206.275 245.001 1.00 0.00 C +ATOM 119 CA GLN A 119 293.249 205.615 245.091 1.00 0.00 C +ATOM 120 CA GLY A 120 296.939 206.069 245.924 1.00 0.00 C +ATOM 121 CA GLU A 121 299.826 206.898 248.268 1.00 0.00 C +TER 122 GLU A 121 +END diff --git a/Mammals/Q3UZV5/Q3UZV5.dcd b/Mammals/Q3UZV5/Q3UZV5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..7e7e8ed9eff428bb9bb1d4413af32ac0c92f6d5f --- /dev/null +++ b/Mammals/Q3UZV5/Q3UZV5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ae91d97a28e6864d496faffd88941b2ea7f3028ee1941e81d1f21d702ebc759f +size 20600276 diff --git a/Mammals/Q3UZV5/top.pdb b/Mammals/Q3UZV5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d496e0acabc761168e74ed2ab8751b8f6337801f --- /dev/null +++ b/Mammals/Q3UZV5/top.pdb @@ -0,0 +1,169 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 267.338 248.239 292.297 1.00 0.00 C +ATOM 2 CA THR A 2 269.767 246.953 294.935 1.00 0.00 C +ATOM 3 CA GLU A 3 273.301 247.360 296.299 1.00 0.00 C +ATOM 4 CA CYS A 4 276.599 249.057 297.169 1.00 0.00 C +ATOM 5 CA PHE A 5 280.235 248.107 297.799 1.00 0.00 C +ATOM 6 CA LEU A 6 281.010 245.096 295.598 1.00 0.00 C +ATOM 7 CA PRO A 7 279.781 241.586 294.769 1.00 0.00 C +ATOM 8 CA PRO A 8 279.902 237.957 295.922 1.00 0.00 C +ATOM 9 CA SER A 9 278.132 235.237 297.918 1.00 0.00 C +ATOM 10 CA SER A 10 278.169 231.457 298.398 1.00 0.00 C +ATOM 11 CA SER A 11 275.650 228.946 297.034 1.00 0.00 C +ATOM 12 CA PRO A 12 272.728 228.482 294.634 1.00 0.00 C +ATOM 13 CA SER A 13 271.442 226.528 291.626 1.00 0.00 C +ATOM 14 CA GLU A 14 272.907 223.594 289.687 1.00 0.00 C +ATOM 15 CA HIS A 15 270.275 221.315 288.139 1.00 0.00 C +ATOM 16 CA ARG A 16 267.637 218.799 289.244 1.00 0.00 C +ATOM 17 CA ARG A 17 266.251 219.487 292.726 1.00 0.00 C +ATOM 18 CA ALA A 18 265.731 216.706 295.278 1.00 0.00 C +ATOM 19 CA GLU A 19 268.338 214.609 297.101 1.00 0.00 C +ATOM 20 CA HIS A 20 271.672 213.007 296.186 1.00 0.00 C +ATOM 21 CA GLY A 21 275.161 214.139 295.154 1.00 0.00 C +ATOM 22 CA SER A 22 274.667 217.113 292.824 1.00 0.00 C +ATOM 23 CA GLY A 23 275.107 217.310 289.045 1.00 0.00 C +ATOM 24 CA LEU A 24 278.401 217.437 287.135 1.00 0.00 C +ATOM 25 CA THR A 25 281.336 215.041 286.728 1.00 0.00 C +ATOM 26 CA ARG A 26 284.267 215.373 289.139 1.00 0.00 C +ATOM 27 CA THR A 27 283.452 218.141 291.626 1.00 0.00 C +ATOM 28 CA PRO A 28 280.733 220.392 293.059 1.00 0.00 C +ATOM 29 CA SER A 29 279.334 222.852 295.611 1.00 0.00 C +ATOM 30 CA SER A 30 279.436 222.239 299.370 1.00 0.00 C +ATOM 31 CA GLU A 31 276.811 222.250 302.132 1.00 0.00 C +ATOM 32 CA GLU A 32 273.509 222.917 300.353 1.00 0.00 C +ATOM 33 CA ILE A 33 270.987 225.689 301.040 1.00 0.00 C +ATOM 34 CA SER A 34 267.397 226.872 301.520 1.00 0.00 C +ATOM 35 CA PRO A 35 265.032 225.229 299.025 1.00 0.00 C +ATOM 36 CA THR A 36 264.436 227.160 295.795 1.00 0.00 C +ATOM 37 CA LYS A 37 260.893 226.250 294.730 1.00 0.00 C +ATOM 38 CA PHE A 38 258.353 228.201 296.793 1.00 0.00 C +ATOM 39 CA PRO A 39 255.236 230.252 296.022 1.00 0.00 C +ATOM 40 CA GLY A 40 252.197 229.551 293.834 1.00 0.00 C +ATOM 41 CA LEU A 41 249.991 231.552 291.458 1.00 0.00 C +ATOM 42 CA TYR A 42 247.213 233.295 293.397 1.00 0.00 C +ATOM 43 CA ARG A 43 245.179 235.823 291.400 1.00 0.00 C +ATOM 44 CA THR A 44 245.517 239.160 289.592 1.00 0.00 C +ATOM 45 CA GLY A 45 247.130 240.202 286.301 1.00 0.00 C +ATOM 46 CA GLU A 46 247.005 244.010 286.332 1.00 0.00 C +ATOM 47 CA PRO A 47 248.421 246.494 288.850 1.00 0.00 C +ATOM 48 CA SER A 48 251.974 247.807 289.259 1.00 0.00 C +ATOM 49 CA PRO A 49 254.543 248.996 291.809 1.00 0.00 C +ATOM 50 CA PRO A 50 254.907 246.872 294.952 1.00 0.00 C +ATOM 51 CA HIS A 51 258.241 247.737 296.580 1.00 0.00 C +ATOM 52 CA ASP A 52 261.680 249.343 296.250 1.00 0.00 C +ATOM 53 CA VAL A 53 261.718 252.772 294.590 1.00 0.00 C +ATOM 54 CA LEU A 54 262.623 253.215 290.915 1.00 0.00 C +ATOM 55 CA HIS A 55 259.289 252.893 289.099 1.00 0.00 C +ATOM 56 CA GLU A 56 256.395 253.399 286.673 1.00 0.00 C +ATOM 57 CA PRO A 57 253.058 253.419 284.834 1.00 0.00 C +ATOM 58 CA PRO A 58 253.074 253.546 281.026 1.00 0.00 C +ATOM 59 CA ASP A 59 255.171 250.577 279.882 1.00 0.00 C +ATOM 60 CA THR A 60 257.644 251.724 277.220 1.00 0.00 C +ATOM 61 CA VAL A 61 255.713 252.638 274.066 1.00 0.00 C +ATOM 62 CA SER A 62 252.238 253.882 275.010 1.00 0.00 C +ATOM 63 CA ASP A 63 252.611 257.480 276.208 1.00 0.00 C +ATOM 64 CA ASP A 64 252.577 261.277 275.899 1.00 0.00 C +ATOM 65 CA ASP A 65 254.051 264.076 278.022 1.00 0.00 C +ATOM 66 CA LYS A 66 253.668 267.658 276.781 1.00 0.00 C +ATOM 67 CA ASP A 67 253.095 269.516 273.505 1.00 0.00 C +ATOM 68 CA HIS A 68 250.427 272.203 273.087 1.00 0.00 C +ATOM 69 CA GLY A 69 247.180 271.374 271.274 1.00 0.00 C +ATOM 70 CA LYS A 70 246.759 273.985 268.531 1.00 0.00 C +ATOM 71 CA LYS A 71 249.560 276.010 266.928 1.00 0.00 C +ATOM 72 CA LYS A 72 252.446 277.496 264.934 1.00 0.00 C +ATOM 73 CA GLY A 73 255.698 279.480 264.871 1.00 0.00 C +ATOM 74 CA LYS A 74 259.434 278.806 265.194 1.00 0.00 C +ATOM 75 CA PHE A 75 261.508 278.059 262.086 1.00 0.00 C +ATOM 76 CA LYS A 76 261.296 277.736 258.296 1.00 0.00 C +ATOM 77 CA LYS A 77 260.320 278.234 254.647 1.00 0.00 C +ATOM 78 CA LYS A 78 260.760 274.908 252.840 1.00 0.00 C +ATOM 79 CA GLU A 79 262.517 275.737 249.562 1.00 0.00 C +ATOM 80 CA LYS A 80 260.024 275.609 246.684 1.00 0.00 C +ATOM 81 CA ARG A 81 262.147 274.927 243.595 1.00 0.00 C +ATOM 82 CA THR A 82 263.037 272.368 240.916 1.00 0.00 C +ATOM 83 CA GLU A 83 260.807 272.785 237.855 1.00 0.00 C +ATOM 84 CA GLY A 84 261.546 270.876 234.642 1.00 0.00 C +ATOM 85 CA TYR A 85 260.840 271.281 230.920 1.00 0.00 C +ATOM 86 CA ALA A 86 258.292 268.647 229.874 1.00 0.00 C +ATOM 87 CA ALA A 87 255.573 266.409 228.423 1.00 0.00 C +ATOM 88 CA PHE A 88 252.377 266.373 226.348 1.00 0.00 C +ATOM 89 CA GLN A 89 249.379 265.975 224.031 1.00 0.00 C +ATOM 90 CA GLU A 90 247.442 267.322 221.039 1.00 0.00 C +ATOM 91 CA ASP A 91 244.177 269.071 221.930 1.00 0.00 C +ATOM 92 CA SER A 92 242.308 271.463 224.233 1.00 0.00 C +ATOM 93 CA SER A 93 239.716 274.196 224.806 1.00 0.00 C +ATOM 94 CA GLY A 94 236.831 274.924 222.426 1.00 0.00 C +ATOM 95 CA ASP A 95 234.941 272.652 220.022 1.00 0.00 C +ATOM 96 CA GLU A 96 232.706 270.223 218.118 1.00 0.00 C +ATOM 97 CA ALA A 97 231.556 266.599 218.350 1.00 0.00 C +ATOM 98 CA GLU A 98 232.175 263.061 217.078 1.00 0.00 C +ATOM 99 CA SER A 99 234.745 260.864 215.322 1.00 0.00 C +ATOM 100 CA PRO A 100 238.461 260.142 214.890 1.00 0.00 C +ATOM 101 CA SER A 101 241.447 262.021 213.452 1.00 0.00 C +ATOM 102 CA LYS A 102 241.145 265.729 212.626 1.00 0.00 C +ATOM 103 CA VAL A 103 237.874 267.039 211.178 1.00 0.00 C +ATOM 104 CA LYS A 104 234.098 266.531 211.167 1.00 0.00 C +ATOM 105 CA ARG A 105 233.128 263.103 209.817 1.00 0.00 C +ATOM 106 CA SER A 106 232.855 261.727 206.274 1.00 0.00 C +ATOM 107 CA LYS A 107 233.111 258.337 204.555 1.00 0.00 C +ATOM 108 CA GLY A 108 230.237 255.939 203.842 1.00 0.00 C +ATOM 109 CA ILE A 109 227.327 254.031 202.292 1.00 0.00 C +ATOM 110 CA HIS A 110 227.164 250.415 201.101 1.00 0.00 C +ATOM 111 CA VAL A 111 223.787 249.374 199.676 1.00 0.00 C +ATOM 112 CA PHE A 112 220.363 248.592 201.153 1.00 0.00 C +ATOM 113 CA LYS A 113 219.720 247.835 204.831 1.00 0.00 C +ATOM 114 CA LYS A 114 220.353 248.385 208.547 1.00 0.00 C +ATOM 115 CA PRO A 115 224.025 248.589 209.541 1.00 0.00 C +ATOM 116 CA SER A 116 227.713 249.065 210.370 1.00 0.00 C +ATOM 117 CA PHE A 117 230.287 251.344 208.728 1.00 0.00 C +ATOM 118 CA SER A 118 232.855 249.934 206.292 1.00 0.00 C +ATOM 119 CA LYS A 119 236.267 250.627 207.838 1.00 0.00 C +ATOM 120 CA LYS A 120 238.045 247.467 209.007 1.00 0.00 C +ATOM 121 CA LYS A 121 238.946 246.521 212.586 1.00 0.00 C +ATOM 122 CA GLU A 122 236.010 246.128 214.982 1.00 0.00 C +ATOM 123 CA LYS A 123 235.884 242.453 215.979 1.00 0.00 C +ATOM 124 CA ASP A 124 234.638 241.080 219.308 1.00 0.00 C +ATOM 125 CA PHE A 125 236.427 237.778 219.948 1.00 0.00 C +ATOM 126 CA LYS A 126 235.015 236.510 223.252 1.00 0.00 C +ATOM 127 CA ILE A 127 235.358 233.258 225.208 1.00 0.00 C +ATOM 128 CA LYS A 128 236.407 233.380 228.869 1.00 0.00 C +ATOM 129 CA GLU A 129 238.633 230.371 229.579 1.00 0.00 C +ATOM 130 CA LYS A 130 241.829 231.630 231.225 1.00 0.00 C +ATOM 131 CA PRO A 131 242.858 235.156 230.212 1.00 0.00 C +ATOM 132 CA LYS A 132 245.901 237.171 229.118 1.00 0.00 C +ATOM 133 CA GLU A 133 247.977 240.222 228.169 1.00 0.00 C +ATOM 134 CA GLU A 134 247.149 243.334 226.133 1.00 0.00 C +ATOM 135 CA LYS A 135 247.142 243.786 222.350 1.00 0.00 C +ATOM 136 CA HIS A 136 244.637 246.318 220.999 1.00 0.00 C +ATOM 137 CA LYS A 137 243.424 246.762 217.414 1.00 0.00 C +ATOM 138 CA GLU A 138 241.344 249.952 217.502 1.00 0.00 C +ATOM 139 CA GLU A 139 242.410 253.588 217.100 1.00 0.00 C +ATOM 140 CA LYS A 140 243.703 257.166 217.300 1.00 0.00 C +ATOM 141 CA HIS A 141 243.275 258.580 220.812 1.00 0.00 C +ATOM 142 CA LYS A 142 242.110 255.928 223.288 1.00 0.00 C +ATOM 143 CA GLU A 143 239.067 257.026 225.302 1.00 0.00 C +ATOM 144 CA GLU A 144 237.745 254.019 227.231 1.00 0.00 C +ATOM 145 CA LYS A 145 235.043 251.421 226.549 1.00 0.00 C +ATOM 146 CA HIS A 146 231.309 251.084 225.869 1.00 0.00 C +ATOM 147 CA LYS A 147 230.663 253.426 222.935 1.00 0.00 C +ATOM 148 CA GLU A 148 231.015 255.603 219.828 1.00 0.00 C +ATOM 149 CA LYS A 149 228.223 257.199 217.786 1.00 0.00 C +ATOM 150 CA LYS A 150 228.397 258.319 214.148 1.00 0.00 C +ATOM 151 CA SER A 151 226.185 258.234 211.047 1.00 0.00 C +ATOM 152 CA LYS A 152 227.084 260.312 207.983 1.00 0.00 C +ATOM 153 CA ASP A 153 226.464 262.959 205.314 1.00 0.00 C +ATOM 154 CA LEU A 154 225.684 262.096 201.685 1.00 0.00 C +ATOM 155 CA THR A 155 224.361 263.465 198.385 1.00 0.00 C +ATOM 156 CA ALA A 156 224.841 261.607 195.094 1.00 0.00 C +ATOM 157 CA ALA A 157 226.698 258.602 193.666 1.00 0.00 C +ATOM 158 CA ASP A 158 229.131 257.290 196.288 1.00 0.00 C +ATOM 159 CA VAL A 159 232.030 258.826 198.225 1.00 0.00 C +ATOM 160 CA VAL A 160 231.499 262.282 199.738 1.00 0.00 C +ATOM 161 CA LYS A 161 233.803 265.037 198.466 1.00 0.00 C +ATOM 162 CA GLN A 162 234.798 267.617 201.087 1.00 0.00 C +ATOM 163 CA TRP A 163 236.378 269.094 204.223 1.00 0.00 C +ATOM 164 CA LYS A 164 239.648 271.030 203.942 1.00 0.00 C +ATOM 165 CA GLY A 165 241.737 274.203 204.236 1.00 0.00 C +TER 166 GLY A 165 +END diff --git a/Mammals/Q3V0C0/Q3V0C0.dcd b/Mammals/Q3V0C0/Q3V0C0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..0c472666e3995f23c20771870b4fe240039663f8 --- /dev/null +++ b/Mammals/Q3V0C0/Q3V0C0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:32bfd8025867c6ea8a04d9c2a346fdb4a9240e0bf557b7fe9dd2304801a8220b +size 20720276 diff --git a/Mammals/Q3V0C0/top.pdb b/Mammals/Q3V0C0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ca766c82a5639ab779dd43d115285f01d981d9d3 --- /dev/null +++ b/Mammals/Q3V0C0/top.pdb @@ -0,0 +1,170 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA VAL A 1 255.018 255.736 226.421 1.00 0.00 C +ATOM 2 CA ARG A 2 252.348 258.358 227.136 1.00 0.00 C +ATOM 3 CA SER A 3 248.961 257.239 225.796 1.00 0.00 C +ATOM 4 CA CYS A 4 247.640 254.501 228.093 1.00 0.00 C +ATOM 5 CA PRO A 5 244.224 254.079 229.726 1.00 0.00 C +ATOM 6 CA PRO A 6 243.935 251.546 232.558 1.00 0.00 C +ATOM 7 CA PRO A 7 247.259 250.294 233.936 1.00 0.00 C +ATOM 8 CA SER A 8 249.140 247.692 231.884 1.00 0.00 C +ATOM 9 CA SER A 9 249.537 244.712 234.224 1.00 0.00 C +ATOM 10 CA LEU A 10 248.256 241.408 232.826 1.00 0.00 C +ATOM 11 CA ARG A 11 249.095 237.821 231.852 1.00 0.00 C +ATOM 12 CA ALA A 12 245.787 236.301 230.727 1.00 0.00 C +ATOM 13 CA LEU A 13 242.325 237.204 232.035 1.00 0.00 C +ATOM 14 CA GLU A 14 240.054 240.232 232.474 1.00 0.00 C +ATOM 15 CA ARG A 15 238.503 240.894 235.890 1.00 0.00 C +ATOM 16 CA PRO A 16 234.728 240.991 236.397 1.00 0.00 C +ATOM 17 CA PRO A 17 233.003 238.047 238.090 1.00 0.00 C +ATOM 18 CA ARG A 18 234.387 236.104 241.061 1.00 0.00 C +ATOM 19 CA GLY A 19 232.901 232.612 240.717 1.00 0.00 C +ATOM 20 CA GLN A 20 234.676 229.526 239.361 1.00 0.00 C +ATOM 21 CA GLN A 21 233.149 226.395 240.905 1.00 0.00 C +ATOM 22 CA GLN A 22 232.536 225.437 244.541 1.00 0.00 C +ATOM 23 CA VAL A 23 231.308 223.745 247.726 1.00 0.00 C +ATOM 24 CA PRO A 24 228.863 221.128 249.027 1.00 0.00 C +ATOM 25 CA VAL A 25 226.263 220.853 251.798 1.00 0.00 C +ATOM 26 CA GLU A 26 223.648 223.622 251.744 1.00 0.00 C +ATOM 27 CA GLU A 27 220.301 223.299 249.951 1.00 0.00 C +ATOM 28 CA GLN A 28 218.615 223.913 246.590 1.00 0.00 C +ATOM 29 CA ARG A 29 218.512 227.039 244.414 1.00 0.00 C +ATOM 30 CA GLY A 30 219.105 230.771 243.928 1.00 0.00 C +ATOM 31 CA ASP A 31 222.835 231.418 244.363 1.00 0.00 C +ATOM 32 CA ALA A 32 226.579 232.018 244.730 1.00 0.00 C +ATOM 33 CA GLU A 33 228.917 232.905 247.605 1.00 0.00 C +ATOM 34 CA ALA A 34 229.496 230.389 250.406 1.00 0.00 C +ATOM 35 CA GLU A 35 228.679 228.340 253.513 1.00 0.00 C +ATOM 36 CA GLN A 36 225.459 229.564 255.140 1.00 0.00 C +ATOM 37 CA GLN A 37 221.689 230.107 255.224 1.00 0.00 C +ATOM 38 CA LYS A 38 218.732 229.614 257.576 1.00 0.00 C +ATOM 39 CA ALA A 39 217.543 232.468 259.802 1.00 0.00 C +ATOM 40 CA GLU A 40 218.049 235.629 261.869 1.00 0.00 C +ATOM 41 CA GLN A 41 220.795 237.853 260.444 1.00 0.00 C +ATOM 42 CA ARG A 42 222.205 240.612 262.661 1.00 0.00 C +ATOM 43 CA ILE A 43 224.460 240.537 265.731 1.00 0.00 C +ATOM 44 CA LEU A 44 226.498 237.572 266.983 1.00 0.00 C +ATOM 45 CA THR A 45 225.220 234.068 267.760 1.00 0.00 C +ATOM 46 CA ALA A 46 225.212 232.569 271.262 1.00 0.00 C +ATOM 47 CA ASN A 47 228.044 234.163 273.250 1.00 0.00 C +ATOM 48 CA LEU A 48 231.595 232.794 273.073 1.00 0.00 C +ATOM 49 CA ALA A 49 234.283 235.289 274.103 1.00 0.00 C +ATOM 50 CA PRO A 50 236.883 238.001 274.738 1.00 0.00 C +ATOM 51 CA HIS A 51 240.515 238.470 273.686 1.00 0.00 C +ATOM 52 CA VAL A 52 242.698 240.011 276.402 1.00 0.00 C +ATOM 53 CA GLN A 53 245.505 238.824 278.689 1.00 0.00 C +ATOM 54 CA PRO A 54 248.846 240.036 277.315 1.00 0.00 C +ATOM 55 CA GLN A 55 249.999 241.315 273.917 1.00 0.00 C +ATOM 56 CA PRO A 56 247.478 242.679 271.407 1.00 0.00 C +ATOM 57 CA LEU A 57 245.500 245.775 272.417 1.00 0.00 C +ATOM 58 CA LEU A 58 245.386 248.572 269.833 1.00 0.00 C +ATOM 59 CA GLN A 59 246.054 251.564 267.571 1.00 0.00 C +ATOM 60 CA PRO A 60 244.042 254.678 266.692 1.00 0.00 C +ATOM 61 CA PRO A 61 242.007 253.683 263.628 1.00 0.00 C +ATOM 62 CA ALA A 62 242.219 251.603 260.444 1.00 0.00 C +ATOM 63 CA ASP A 63 244.176 249.581 257.875 1.00 0.00 C +ATOM 64 CA ARG A 64 247.347 248.908 255.873 1.00 0.00 C +ATOM 65 CA PRO A 65 248.024 252.090 253.891 1.00 0.00 C +ATOM 66 CA HIS A 66 251.217 254.169 253.851 1.00 0.00 C +ATOM 67 CA PRO A 67 254.032 252.189 255.488 1.00 0.00 C +ATOM 68 CA ARG A 68 255.108 251.423 259.061 1.00 0.00 C +ATOM 69 CA PRO A 69 254.468 254.231 261.555 1.00 0.00 C +ATOM 70 CA HIS A 70 251.079 255.718 262.460 1.00 0.00 C +ATOM 71 CA LEU A 71 248.356 257.344 260.349 1.00 0.00 C +ATOM 72 CA SER A 72 247.843 259.120 257.017 1.00 0.00 C +ATOM 73 CA PRO A 73 246.889 262.801 257.248 1.00 0.00 C +ATOM 74 CA ARG A 74 246.746 266.607 257.351 1.00 0.00 C +ATOM 75 CA ARG A 75 246.430 268.024 260.874 1.00 0.00 C +ATOM 76 CA GLY A 76 246.901 266.869 264.474 1.00 0.00 C +ATOM 77 CA GLY A 77 243.886 266.064 266.659 1.00 0.00 C +ATOM 78 CA ARG A 78 241.531 264.064 264.431 1.00 0.00 C +ATOM 79 CA ALA A 79 241.733 261.226 261.897 1.00 0.00 C +ATOM 80 CA ALA A 80 239.760 262.407 258.859 1.00 0.00 C +ATOM 81 CA LEU A 81 236.398 263.489 260.288 1.00 0.00 C +ATOM 82 CA ARG A 82 234.896 263.347 263.787 1.00 0.00 C +ATOM 83 CA GLY A 83 233.450 263.711 267.293 1.00 0.00 C +ATOM 84 CA ARG A 84 230.305 264.423 269.322 1.00 0.00 C +ATOM 85 CA GLY A 85 227.606 262.453 271.152 1.00 0.00 C +ATOM 86 CA GLY A 86 228.106 258.687 271.448 1.00 0.00 C +ATOM 87 CA GLY A 87 229.799 256.625 274.168 1.00 0.00 C +ATOM 88 CA HIS A 88 230.279 258.576 277.405 1.00 0.00 C +ATOM 89 CA PRO A 89 229.375 261.774 279.267 1.00 0.00 C +ATOM 90 CA GLN A 90 232.487 263.968 279.408 1.00 0.00 C +ATOM 91 CA THR A 91 233.638 267.275 280.910 1.00 0.00 C +ATOM 92 CA PRO A 92 232.489 270.863 281.476 1.00 0.00 C +ATOM 93 CA ALA A 93 232.545 273.783 279.029 1.00 0.00 C +ATOM 94 CA ALA A 94 235.666 275.097 277.282 1.00 0.00 C +ATOM 95 CA GLU A 95 236.307 273.477 273.894 1.00 0.00 C +ATOM 96 CA PRO A 96 239.291 271.249 273.090 1.00 0.00 C +ATOM 97 CA HIS A 97 240.852 268.763 275.518 1.00 0.00 C +ATOM 98 CA CYS A 98 240.425 270.325 278.967 1.00 0.00 C +ATOM 99 CA HIS A 99 241.661 267.669 281.403 1.00 0.00 C +ATOM 100 CA PRO A 100 242.117 264.343 283.204 1.00 0.00 C +ATOM 101 CA PRO A 101 243.313 261.052 284.706 1.00 0.00 C +ATOM 102 CA PRO A 102 246.981 260.324 283.974 1.00 0.00 C +ATOM 103 CA SER A 103 250.642 259.512 283.300 1.00 0.00 C +ATOM 104 CA PHE A 104 251.249 258.525 279.671 1.00 0.00 C +ATOM 105 CA THR A 105 250.641 256.026 276.859 1.00 0.00 C +ATOM 106 CA ALA A 106 249.176 253.321 274.612 1.00 0.00 C +ATOM 107 CA ARG A 107 249.681 249.670 275.579 1.00 0.00 C +ATOM 108 CA LEU A 108 253.054 248.272 276.668 1.00 0.00 C +ATOM 109 CA SER A 109 256.180 250.428 276.365 1.00 0.00 C +ATOM 110 CA ARG A 110 258.031 250.057 273.055 1.00 0.00 C +ATOM 111 CA THR A 111 256.541 248.381 269.974 1.00 0.00 C +ATOM 112 CA ARG A 112 254.335 246.287 267.681 1.00 0.00 C +ATOM 113 CA PRO A 113 251.584 244.003 266.365 1.00 0.00 C +ATOM 114 CA ARG A 114 249.047 244.458 263.559 1.00 0.00 C +ATOM 115 CA PRO A 115 246.285 242.441 261.879 1.00 0.00 C +ATOM 116 CA ALA A 116 247.303 239.045 260.484 1.00 0.00 C +ATOM 117 CA THR A 117 248.120 236.282 257.991 1.00 0.00 C +ATOM 118 CA LEU A 118 249.380 235.591 254.462 1.00 0.00 C +ATOM 119 CA ALA A 119 251.114 236.922 251.341 1.00 0.00 C +ATOM 120 CA ALA A 120 253.513 239.318 249.604 1.00 0.00 C +ATOM 121 CA ARG A 121 255.385 242.592 250.143 1.00 0.00 C +ATOM 122 CA ALA A 122 255.531 246.348 250.768 1.00 0.00 C +ATOM 123 CA GLN A 123 258.695 247.277 252.677 1.00 0.00 C +ATOM 124 CA PRO A 124 259.907 250.621 251.311 1.00 0.00 C +ATOM 125 CA THR A 125 261.388 250.647 247.800 1.00 0.00 C +ATOM 126 CA PRO A 126 264.389 252.975 247.502 1.00 0.00 C +ATOM 127 CA GLN A 127 266.388 256.125 248.275 1.00 0.00 C +ATOM 128 CA PRO A 128 269.983 256.083 247.012 1.00 0.00 C +ATOM 129 CA HIS A 129 270.197 253.349 244.367 1.00 0.00 C +ATOM 130 CA ALA A 130 268.830 254.132 240.898 1.00 0.00 C +ATOM 131 CA ARG A 131 266.930 256.728 238.857 1.00 0.00 C +ATOM 132 CA PRO A 132 266.626 255.987 235.132 1.00 0.00 C +ATOM 133 CA PRO A 133 267.857 252.447 234.448 1.00 0.00 C +ATOM 134 CA GLN A 134 271.140 250.861 233.343 1.00 0.00 C +ATOM 135 CA GLY A 135 272.473 252.929 230.434 1.00 0.00 C +ATOM 136 CA ARG A 136 271.902 256.162 228.501 1.00 0.00 C +ATOM 137 CA ARG A 137 273.013 258.919 226.117 1.00 0.00 C +ATOM 138 CA HIS A 138 276.551 259.766 224.986 1.00 0.00 C +ATOM 139 CA HIS A 139 276.495 260.726 221.299 1.00 0.00 C +ATOM 140 CA PRO A 140 275.685 259.404 217.819 1.00 0.00 C +ATOM 141 CA ALA A 141 276.452 259.648 214.095 1.00 0.00 C +ATOM 142 CA GLY A 142 280.194 260.330 213.876 1.00 0.00 C +ATOM 143 CA GLY A 143 283.451 259.007 212.407 1.00 0.00 C +ATOM 144 CA LEU A 144 286.688 260.960 211.927 1.00 0.00 C +ATOM 145 CA GLY A 145 289.637 261.615 209.605 1.00 0.00 C +ATOM 146 CA SER A 146 291.854 259.759 207.125 1.00 0.00 C +ATOM 147 CA ALA A 147 294.532 260.900 204.666 1.00 0.00 C +ATOM 148 CA ARG A 148 293.267 260.556 201.089 1.00 0.00 C +ATOM 149 CA THR A 149 290.592 263.215 200.553 1.00 0.00 C +ATOM 150 CA ASP A 150 287.300 264.015 202.295 1.00 0.00 C +ATOM 151 CA VAL A 151 285.003 261.681 204.243 1.00 0.00 C +ATOM 152 CA LEU A 152 281.802 259.648 204.610 1.00 0.00 C +ATOM 153 CA ALA A 153 279.694 257.549 206.990 1.00 0.00 C +ATOM 154 CA ARG A 154 280.267 253.802 207.377 1.00 0.00 C +ATOM 155 CA PRO A 155 282.453 252.872 210.355 1.00 0.00 C +ATOM 156 CA PRO A 156 281.257 250.304 212.903 1.00 0.00 C +ATOM 157 CA THR A 157 280.844 249.694 216.641 1.00 0.00 C +ATOM 158 CA PHE A 158 279.847 251.907 219.577 1.00 0.00 C +ATOM 159 CA LEU A 159 279.755 255.628 220.392 1.00 0.00 C +ATOM 160 CA ILE A 160 282.404 258.132 221.500 1.00 0.00 C +ATOM 161 CA ARG A 161 283.377 258.863 225.110 1.00 0.00 C +ATOM 162 CA LYS A 162 286.090 258.276 227.720 1.00 0.00 C +ATOM 163 CA SER A 163 288.871 259.739 229.875 1.00 0.00 C +ATOM 164 CA ARG A 164 289.065 263.533 229.583 1.00 0.00 C +ATOM 165 CA GLU A 165 289.887 266.839 227.875 1.00 0.00 C +ATOM 166 CA THR A 166 289.159 270.184 226.202 1.00 0.00 C +TER 167 THR A 166 +END diff --git a/Mammals/Q3V0N9/Q3V0N9.dcd b/Mammals/Q3V0N9/Q3V0N9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..74adc1a2cb394635228a22518c32804b8a5a0969 --- /dev/null +++ b/Mammals/Q3V0N9/Q3V0N9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:01d1dd70a341474ae48d4a00461b0fb74d587212a33e8883017c9c5f84deadab +size 15920276 diff --git a/Mammals/Q3V0N9/top.pdb b/Mammals/Q3V0N9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4150d68f5e6e5581b52f16ed50caf42b1e04af1c --- /dev/null +++ b/Mammals/Q3V0N9/top.pdb @@ -0,0 +1,130 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA SER A 1 277.268 264.930 246.307 1.00 0.00 C +ATOM 2 CA PRO A 2 278.312 265.267 249.956 1.00 0.00 C +ATOM 3 CA GLY A 3 280.830 266.325 252.613 1.00 0.00 C +ATOM 4 CA LEU A 4 282.578 269.702 252.849 1.00 0.00 C +ATOM 5 CA SER A 5 285.224 272.279 251.914 1.00 0.00 C +ATOM 6 CA GLN A 6 288.156 274.656 252.431 1.00 0.00 C +ATOM 7 CA ARG A 7 288.149 277.608 254.839 1.00 0.00 C +ATOM 8 CA SER A 8 285.986 276.959 257.907 1.00 0.00 C +ATOM 9 CA PRO A 9 285.279 274.807 260.971 1.00 0.00 C +ATOM 10 CA GLU A 10 284.615 276.486 264.326 1.00 0.00 C +ATOM 11 CA TRP A 11 281.366 278.472 264.199 1.00 0.00 C +ATOM 12 CA LEU A 12 278.016 279.954 265.245 1.00 0.00 C +ATOM 13 CA PRO A 13 274.891 281.847 266.325 1.00 0.00 C +ATOM 14 CA TRP A 14 271.638 280.180 265.250 1.00 0.00 C +ATOM 15 CA LEU A 15 268.648 279.857 262.910 1.00 0.00 C +ATOM 16 CA ALA A 16 265.937 277.204 263.268 1.00 0.00 C +ATOM 17 CA PRO A 17 266.404 275.877 266.809 1.00 0.00 C +ATOM 18 CA GLY A 18 263.192 276.208 268.831 1.00 0.00 C +ATOM 19 CA ARG A 19 261.203 276.081 272.078 1.00 0.00 C +ATOM 20 CA ARG A 20 259.737 277.313 275.372 1.00 0.00 C +ATOM 21 CA LEU A 21 259.730 279.994 278.078 1.00 0.00 C +ATOM 22 CA PHE A 22 256.772 282.073 279.280 1.00 0.00 C +ATOM 23 CA PRO A 23 254.317 280.571 281.776 1.00 0.00 C +ATOM 24 CA SER A 24 251.069 278.590 281.991 1.00 0.00 C +ATOM 25 CA THR A 25 248.110 276.243 281.491 1.00 0.00 C +ATOM 26 CA SER A 26 245.871 276.679 278.440 1.00 0.00 C +ATOM 27 CA LYS A 27 243.155 274.787 276.552 1.00 0.00 C +ATOM 28 CA GLN A 28 243.766 271.028 276.452 1.00 0.00 C +ATOM 29 CA ASN A 29 247.413 270.436 275.523 1.00 0.00 C +ATOM 30 CA THR A 30 248.087 269.859 271.817 1.00 0.00 C +ATOM 31 CA GLY A 31 251.422 271.505 270.993 1.00 0.00 C +ATOM 32 CA THR A 32 252.895 274.011 273.456 1.00 0.00 C +ATOM 33 CA ASP A 33 251.867 276.820 275.816 1.00 0.00 C +ATOM 34 CA TRP A 34 250.979 279.843 273.674 1.00 0.00 C +ATOM 35 CA THR A 35 248.463 282.666 274.143 1.00 0.00 C +ATOM 36 CA GLU A 36 246.187 283.846 271.324 1.00 0.00 C +ATOM 37 CA LEU A 37 247.535 284.244 267.783 1.00 0.00 C +ATOM 38 CA PRO A 38 247.774 280.993 265.811 1.00 0.00 C +ATOM 39 CA ASN A 39 249.957 281.070 262.689 1.00 0.00 C +ATOM 40 CA PHE A 40 250.663 277.474 261.646 1.00 0.00 C +ATOM 41 CA HIS A 41 251.648 275.207 258.747 1.00 0.00 C +ATOM 42 CA VAL A 42 248.668 273.525 257.071 1.00 0.00 C +ATOM 43 CA GLN A 43 246.808 273.183 253.763 1.00 0.00 C +ATOM 44 CA GLN A 44 244.147 272.369 251.161 1.00 0.00 C +ATOM 45 CA ASP A 45 241.700 269.570 251.993 1.00 0.00 C +ATOM 46 CA SER A 46 242.609 266.033 253.081 1.00 0.00 C +ATOM 47 CA PRO A 47 242.229 263.679 250.109 1.00 0.00 C +ATOM 48 CA LEU A 48 240.779 262.619 246.749 1.00 0.00 C +ATOM 49 CA THR A 49 239.755 265.671 244.710 1.00 0.00 C +ATOM 50 CA PRO A 50 242.132 266.557 241.867 1.00 0.00 C +ATOM 51 CA SER A 51 245.099 264.205 241.438 1.00 0.00 C +ATOM 52 CA SER A 52 248.884 263.808 241.275 1.00 0.00 C +ATOM 53 CA GLN A 53 252.388 264.571 239.986 1.00 0.00 C +ATOM 54 CA ASP A 54 253.978 263.630 236.654 1.00 0.00 C +ATOM 55 CA TRP A 55 253.757 264.727 233.012 1.00 0.00 C +ATOM 56 CA GLU A 56 252.571 261.879 230.776 1.00 0.00 C +ATOM 57 CA GLN A 57 252.043 261.685 227.008 1.00 0.00 C +ATOM 58 CA GLU A 58 249.321 259.286 225.846 1.00 0.00 C +ATOM 59 CA LYS A 59 247.099 256.202 226.118 1.00 0.00 C +ATOM 60 CA PRO A 60 247.276 252.548 227.180 1.00 0.00 C +ATOM 61 CA THR A 61 249.807 249.920 226.079 1.00 0.00 C +ATOM 62 CA ARG A 62 250.370 246.950 223.761 1.00 0.00 C +ATOM 63 CA ALA A 63 249.091 246.439 220.208 1.00 0.00 C +ATOM 64 CA LEU A 64 246.607 249.206 219.376 1.00 0.00 C +ATOM 65 CA PRO A 65 243.635 249.488 221.743 1.00 0.00 C +ATOM 66 CA PHE A 66 240.796 247.473 220.195 1.00 0.00 C +ATOM 67 CA PRO A 67 239.844 244.157 218.578 1.00 0.00 C +ATOM 68 CA LYS A 68 241.718 240.912 217.886 1.00 0.00 C +ATOM 69 CA ARG A 69 241.584 237.472 219.518 1.00 0.00 C +ATOM 70 CA VAL A 70 242.676 235.183 222.361 1.00 0.00 C +ATOM 71 CA ARG A 71 242.651 231.417 222.941 1.00 0.00 C +ATOM 72 CA GLY A 72 240.551 228.810 224.760 1.00 0.00 C +ATOM 73 CA TYR A 73 240.435 225.009 224.522 1.00 0.00 C +ATOM 74 CA ARG A 74 237.017 224.142 223.078 1.00 0.00 C +ATOM 75 CA GLY A 75 234.278 221.497 223.219 1.00 0.00 C +ATOM 76 CA ALA A 76 230.983 219.658 223.749 1.00 0.00 C +ATOM 77 CA SER A 77 227.190 219.309 223.723 1.00 0.00 C +ATOM 78 CA PRO A 78 223.493 220.231 223.745 1.00 0.00 C +ATOM 79 CA PRO A 79 222.284 223.835 223.491 1.00 0.00 C +ATOM 80 CA THR A 80 220.346 226.633 225.202 1.00 0.00 C +ATOM 81 CA ARG A 81 222.236 229.863 225.914 1.00 0.00 C +ATOM 82 CA LEU A 82 223.527 232.800 223.858 1.00 0.00 C +ATOM 83 CA GLY A 83 223.051 236.540 223.310 1.00 0.00 C +ATOM 84 CA SER A 84 221.147 238.221 226.150 1.00 0.00 C +ATOM 85 CA ASP A 85 222.421 236.695 229.401 1.00 0.00 C +ATOM 86 CA GLY A 86 221.219 238.185 232.695 1.00 0.00 C +ATOM 87 CA SER A 87 221.483 240.149 235.950 1.00 0.00 C +ATOM 88 CA LYS A 88 222.952 241.329 239.261 1.00 0.00 C +ATOM 89 CA GLY A 89 221.005 244.210 240.817 1.00 0.00 C +ATOM 90 CA PRO A 90 222.770 246.209 243.538 1.00 0.00 C +ATOM 91 CA PRO A 91 223.314 245.186 247.168 1.00 0.00 C +ATOM 92 CA ALA A 92 225.431 242.731 249.169 1.00 0.00 C +ATOM 93 CA LEU A 93 227.994 239.912 249.133 1.00 0.00 C +ATOM 94 CA VAL A 94 229.242 239.148 245.615 1.00 0.00 C +ATOM 95 CA ASP A 95 232.053 236.619 245.151 1.00 0.00 C +ATOM 96 CA ARG A 96 232.367 232.848 244.705 1.00 0.00 C +ATOM 97 CA GLY A 97 233.707 229.338 244.070 1.00 0.00 C +ATOM 98 CA LEU A 98 235.533 226.813 241.877 1.00 0.00 C +ATOM 99 CA GLY A 99 238.301 225.183 243.925 1.00 0.00 C +ATOM 100 CA ARG A 100 241.160 223.822 241.806 1.00 0.00 C +ATOM 101 CA ARG A 101 242.424 221.724 238.888 1.00 0.00 C +ATOM 102 CA ARG A 102 243.809 218.176 238.976 1.00 0.00 C +ATOM 103 CA PRO A 103 242.802 215.718 241.706 1.00 0.00 C +ATOM 104 CA HIS A 104 245.869 214.638 243.692 1.00 0.00 C +ATOM 105 CA GLN A 105 249.024 213.330 245.381 1.00 0.00 C +ATOM 106 CA ARG A 106 252.164 212.622 247.419 1.00 0.00 C +ATOM 107 CA LEU A 107 255.615 214.171 247.878 1.00 0.00 C +ATOM 108 CA SER A 108 257.264 212.499 250.878 1.00 0.00 C +ATOM 109 CA ILE A 109 259.774 214.684 252.734 1.00 0.00 C +ATOM 110 CA ALA A 110 258.488 218.234 253.242 1.00 0.00 C +ATOM 111 CA ALA A 111 260.082 221.083 255.206 1.00 0.00 C +ATOM 112 CA SER A 112 258.872 224.633 254.532 1.00 0.00 C +ATOM 113 CA PHE A 113 261.987 226.817 254.315 1.00 0.00 C +ATOM 114 CA ARG A 114 263.717 229.156 256.775 1.00 0.00 C +ATOM 115 CA ASN A 115 263.432 229.461 260.562 1.00 0.00 C +ATOM 116 CA GLN A 116 261.970 226.960 263.037 1.00 0.00 C +ATOM 117 CA GLU A 117 259.081 224.480 262.909 1.00 0.00 C +ATOM 118 CA LYS A 118 257.885 222.888 266.157 1.00 0.00 C +ATOM 119 CA MET A 119 260.976 222.490 268.348 1.00 0.00 C +ATOM 120 CA VAL A 120 260.813 223.140 272.099 1.00 0.00 C +ATOM 121 CA GLY A 121 263.448 225.327 273.769 1.00 0.00 C +ATOM 122 CA GLY A 122 265.636 224.203 276.679 1.00 0.00 C +ATOM 123 CA GLU A 123 268.689 222.696 278.388 1.00 0.00 C +ATOM 124 CA LYS A 124 270.515 220.485 280.897 1.00 0.00 C +ATOM 125 CA LYS A 125 272.100 217.105 280.133 1.00 0.00 C +ATOM 126 CA ASN A 126 270.945 214.039 282.077 1.00 0.00 C +TER 127 ASN A 126 +END diff --git a/Mammals/Q3V0T5/Q3V0T5.dcd b/Mammals/Q3V0T5/Q3V0T5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..37471af6045833ca43f3a4b0c16017aadcf55a96 --- /dev/null +++ b/Mammals/Q3V0T5/Q3V0T5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8a056343d8c69ba2087f7d9932f5eb907751b07817f5d00d1dbdd64807436f0b +size 18080276 diff --git a/Mammals/Q3V0T5/top.pdb b/Mammals/Q3V0T5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..40ef129083948167a4bf2c5b88d28bd54283caeb --- /dev/null +++ b/Mammals/Q3V0T5/top.pdb @@ -0,0 +1,148 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LYS A 1 255.508 232.681 246.629 1.00 0.00 C +ATOM 2 CA ARG A 2 256.499 229.020 246.275 1.00 0.00 C +ATOM 3 CA THR A 3 256.338 226.498 243.424 1.00 0.00 C +ATOM 4 CA ASP A 4 257.682 222.970 242.905 1.00 0.00 C +ATOM 5 CA GLU A 5 257.148 220.156 245.417 1.00 0.00 C +ATOM 6 CA ARG A 6 258.422 217.053 247.225 1.00 0.00 C +ATOM 7 CA ARG A 7 256.080 214.054 247.405 1.00 0.00 C +ATOM 8 CA ALA A 8 257.760 211.221 245.489 1.00 0.00 C +ATOM 9 CA ASN A 9 255.687 209.206 243.008 1.00 0.00 C +ATOM 10 CA ARG A 10 255.905 205.445 242.444 1.00 0.00 C +ATOM 11 CA PRO A 11 258.151 204.098 245.211 1.00 0.00 C +ATOM 12 CA LEU A 12 261.918 204.185 245.775 1.00 0.00 C +ATOM 13 CA GLY A 13 263.487 207.576 246.520 1.00 0.00 C +ATOM 14 CA PRO A 14 264.626 211.206 246.306 1.00 0.00 C +ATOM 15 CA ALA A 15 268.326 211.896 245.717 1.00 0.00 C +ATOM 16 CA GLN A 16 270.616 208.923 245.062 1.00 0.00 C +ATOM 17 CA TYR A 17 272.010 206.529 247.678 1.00 0.00 C +ATOM 18 CA PRO A 18 275.058 204.601 248.906 1.00 0.00 C +ATOM 19 CA ARG A 19 274.994 204.201 252.695 1.00 0.00 C +ATOM 20 CA LEU A 20 277.766 202.054 254.188 1.00 0.00 C +ATOM 21 CA SER A 21 279.950 201.766 257.296 1.00 0.00 C +ATOM 22 CA GLN A 22 283.290 200.714 258.797 1.00 0.00 C +ATOM 23 CA GLN A 23 286.310 200.705 261.120 1.00 0.00 C +ATOM 24 CA ARG A 24 289.721 201.237 259.509 1.00 0.00 C +ATOM 25 CA LEU A 25 291.652 204.323 258.385 1.00 0.00 C +ATOM 26 CA LEU A 26 291.639 207.835 256.907 1.00 0.00 C +ATOM 27 CA ARG A 27 292.298 211.451 257.908 1.00 0.00 C +ATOM 28 CA ARG A 28 295.059 214.069 258.102 1.00 0.00 C +ATOM 29 CA ALA A 29 298.285 214.866 256.238 1.00 0.00 C +ATOM 30 CA THR A 30 300.901 216.602 254.080 1.00 0.00 C +ATOM 31 CA LEU A 31 303.075 218.430 251.541 1.00 0.00 C +ATOM 32 CA ILE A 32 304.382 221.506 249.710 1.00 0.00 C +ATOM 33 CA GLN A 33 304.373 223.042 246.224 1.00 0.00 C +ATOM 34 CA SER A 34 306.099 226.411 245.792 1.00 0.00 C +ATOM 35 CA PRO A 35 303.318 228.818 244.800 1.00 0.00 C +ATOM 36 CA PRO A 36 304.352 232.481 244.638 1.00 0.00 C +ATOM 37 CA HIS A 37 304.622 233.770 241.063 1.00 0.00 C +ATOM 38 CA SER A 38 303.241 232.277 237.841 1.00 0.00 C +ATOM 39 CA LEU A 39 302.686 232.365 234.073 1.00 0.00 C +ATOM 40 CA ARG A 40 303.215 228.845 232.713 1.00 0.00 C +ATOM 41 CA ARG A 41 305.145 226.085 230.933 1.00 0.00 C +ATOM 42 CA PRO A 42 307.199 224.122 228.393 1.00 0.00 C +ATOM 43 CA ARG A 43 309.707 224.208 225.527 1.00 0.00 C +ATOM 44 CA LEU A 44 310.232 227.010 222.999 1.00 0.00 C +ATOM 45 CA ASN A 45 311.734 230.016 221.203 1.00 0.00 C +ATOM 46 CA ARG A 46 309.708 231.654 218.423 1.00 0.00 C +ATOM 47 CA ARG A 47 307.900 228.852 216.581 1.00 0.00 C +ATOM 48 CA ALA A 48 305.049 227.858 214.257 1.00 0.00 C +ATOM 49 CA ALA A 49 301.965 226.261 212.691 1.00 0.00 C +ATOM 50 CA ALA A 50 298.868 224.554 214.109 1.00 0.00 C +ATOM 51 CA SER A 51 296.569 224.891 217.129 1.00 0.00 C +ATOM 52 CA ARG A 52 294.354 225.211 220.212 1.00 0.00 C +ATOM 53 CA ALA A 53 290.618 225.370 220.942 1.00 0.00 C +ATOM 54 CA PHE A 54 287.191 227.005 220.618 1.00 0.00 C +ATOM 55 CA PHE A 55 287.555 230.601 221.823 1.00 0.00 C +ATOM 56 CA LEU A 56 289.005 234.054 222.525 1.00 0.00 C +ATOM 57 CA PRO A 57 288.635 236.949 224.974 1.00 0.00 C +ATOM 58 CA GLN A 58 285.110 238.395 224.949 1.00 0.00 C +ATOM 59 CA PRO A 59 282.325 235.811 225.240 1.00 0.00 C +ATOM 60 CA ARG A 60 279.015 237.608 225.811 1.00 0.00 C +ATOM 61 CA PRO A 61 275.306 238.164 226.483 1.00 0.00 C +ATOM 62 CA ALA A 62 273.412 241.455 226.796 1.00 0.00 C +ATOM 63 CA ARG A 63 271.810 243.039 229.869 1.00 0.00 C +ATOM 64 CA GLN A 64 268.034 242.777 229.433 1.00 0.00 C +ATOM 65 CA SER A 65 266.226 245.197 231.755 1.00 0.00 C +ATOM 66 CA PRO A 66 264.522 245.055 235.159 1.00 0.00 C +ATOM 67 CA ALA A 67 262.446 245.817 238.262 1.00 0.00 C +ATOM 68 CA SER A 68 259.112 245.837 240.105 1.00 0.00 C +ATOM 69 CA SER A 69 256.780 243.534 238.163 1.00 0.00 C +ATOM 70 CA PRO A 70 255.097 245.406 235.303 1.00 0.00 C +ATOM 71 CA SER A 71 252.022 247.435 236.274 1.00 0.00 C +ATOM 72 CA GLY A 72 249.411 244.794 237.123 1.00 0.00 C +ATOM 73 CA PHE A 73 247.020 242.243 238.636 1.00 0.00 C +ATOM 74 CA HIS A 74 246.732 242.344 242.434 1.00 0.00 C +ATOM 75 CA LEU A 75 243.342 241.036 243.582 1.00 0.00 C +ATOM 76 CA ALA A 76 242.945 238.464 246.364 1.00 0.00 C +ATOM 77 CA ALA A 77 244.216 238.131 249.940 1.00 0.00 C +ATOM 78 CA ILE A 78 244.356 241.611 251.486 1.00 0.00 C +ATOM 79 CA LEU A 79 241.294 243.711 250.632 1.00 0.00 C +ATOM 80 CA PRO A 80 242.466 246.557 248.387 1.00 0.00 C +ATOM 81 CA PRO A 81 242.098 250.348 248.490 1.00 0.00 C +ATOM 82 CA SER A 82 243.688 253.653 247.457 1.00 0.00 C +ATOM 83 CA PRO A 83 244.121 255.963 244.459 1.00 0.00 C +ATOM 84 CA LEU A 84 243.587 259.728 244.696 1.00 0.00 C +ATOM 85 CA PRO A 85 243.007 263.450 244.124 1.00 0.00 C +ATOM 86 CA ARG A 86 242.015 266.749 242.495 1.00 0.00 C +ATOM 87 CA GLY A 87 238.641 267.679 244.000 1.00 0.00 C +ATOM 88 CA SER A 88 235.257 266.556 245.343 1.00 0.00 C +ATOM 89 CA ARG A 89 231.925 267.018 243.553 1.00 0.00 C +ATOM 90 CA GLY A 90 229.062 264.588 242.910 1.00 0.00 C +ATOM 91 CA PRO A 91 227.524 261.395 244.309 1.00 0.00 C +ATOM 92 CA ARG A 92 229.505 260.679 247.483 1.00 0.00 C +ATOM 93 CA GLY A 93 231.968 260.452 250.381 1.00 0.00 C +ATOM 94 CA PRO A 94 233.951 258.163 252.693 1.00 0.00 C +ATOM 95 CA ARG A 95 234.085 256.863 256.272 1.00 0.00 C +ATOM 96 CA LYS A 96 234.424 257.706 259.972 1.00 0.00 C +ATOM 97 CA PRO A 97 236.394 259.131 262.905 1.00 0.00 C +ATOM 98 CA ASN A 98 237.383 262.796 262.573 1.00 0.00 C +ATOM 99 CA VAL A 99 234.414 264.717 261.156 1.00 0.00 C +ATOM 100 CA TRP A 100 234.887 266.677 257.923 1.00 0.00 C +ATOM 101 CA ALA A 101 233.475 266.215 254.414 1.00 0.00 C +ATOM 102 CA ALA A 102 231.733 266.609 251.049 1.00 0.00 C +ATOM 103 CA GLY A 103 230.850 270.167 250.013 1.00 0.00 C +ATOM 104 CA LEU A 104 227.607 271.000 251.831 1.00 0.00 C +ATOM 105 CA PRO A 105 224.857 272.506 253.996 1.00 0.00 C +ATOM 106 CA LEU A 106 222.577 271.425 256.850 1.00 0.00 C +ATOM 107 CA ALA A 107 222.761 274.280 259.367 1.00 0.00 C +ATOM 108 CA PRO A 108 220.301 275.916 261.772 1.00 0.00 C +ATOM 109 CA SER A 109 216.864 274.469 260.990 1.00 0.00 C +ATOM 110 CA ARG A 110 213.106 275.005 260.668 1.00 0.00 C +ATOM 111 CA LEU A 111 211.308 277.221 263.193 1.00 0.00 C +ATOM 112 CA GLN A 112 212.992 279.459 265.775 1.00 0.00 C +ATOM 113 CA PRO A 113 216.606 280.159 266.756 1.00 0.00 C +ATOM 114 CA PRO A 114 217.849 283.300 268.518 1.00 0.00 C +ATOM 115 CA VAL A 115 217.851 286.632 270.366 1.00 0.00 C +ATOM 116 CA PRO A 116 220.973 288.542 269.311 1.00 0.00 C +ATOM 117 CA ASP A 117 223.196 290.077 271.998 1.00 0.00 C +ATOM 118 CA ARG A 118 221.575 293.320 273.170 1.00 0.00 C +ATOM 119 CA VAL A 119 217.867 293.588 274.005 1.00 0.00 C +ATOM 120 CA ARG A 120 214.783 294.761 272.100 1.00 0.00 C +ATOM 121 CA ARG A 121 211.979 296.372 270.086 1.00 0.00 C +ATOM 122 CA LEU A 122 209.066 294.411 268.608 1.00 0.00 C +ATOM 123 CA SER A 123 206.734 295.212 265.704 1.00 0.00 C +ATOM 124 CA PRO A 124 207.313 298.717 264.327 1.00 0.00 C +ATOM 125 CA HIS A 125 204.137 300.821 264.389 1.00 0.00 C +ATOM 126 CA GLN A 126 202.316 304.117 264.971 1.00 0.00 C +ATOM 127 CA ARG A 127 199.826 304.434 262.104 1.00 0.00 C +ATOM 128 CA TRP A 128 196.632 302.651 261.040 1.00 0.00 C +ATOM 129 CA TRP A 129 194.292 300.247 262.846 1.00 0.00 C +ATOM 130 CA ARG A 130 192.696 296.840 263.444 1.00 0.00 C +ATOM 131 CA GLN A 131 193.524 294.353 266.209 1.00 0.00 C +ATOM 132 CA SER A 132 191.409 292.252 268.581 1.00 0.00 C +ATOM 133 CA SER A 133 188.558 294.084 270.323 1.00 0.00 C +ATOM 134 CA HIS A 134 188.322 295.742 273.745 1.00 0.00 C +ATOM 135 CA SER A 135 188.022 293.949 277.093 1.00 0.00 C +ATOM 136 CA ARG A 136 185.148 292.186 278.868 1.00 0.00 C +ATOM 137 CA ARG A 137 182.978 294.037 281.393 1.00 0.00 C +ATOM 138 CA ASN A 138 181.951 293.227 284.972 1.00 0.00 C +ATOM 139 CA SER A 139 178.839 294.750 286.557 1.00 0.00 C +ATOM 140 CA GLN A 140 179.377 294.959 290.323 1.00 0.00 C +ATOM 141 CA SER A 141 177.170 297.465 292.156 1.00 0.00 C +ATOM 142 CA PRO A 142 178.910 298.862 295.244 1.00 0.00 C +ATOM 143 CA ARG A 143 179.696 302.521 294.531 1.00 0.00 C +ATOM 144 CA ASN A 144 177.153 304.615 292.616 1.00 0.00 C +TER 145 ASN A 144 +END diff --git a/Mammals/Q3V0Z3/Q3V0Z3.dcd b/Mammals/Q3V0Z3/Q3V0Z3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..60f85d1c50f1b4cb568bbe2604a72d9e8417e679 --- /dev/null +++ b/Mammals/Q3V0Z3/Q3V0Z3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b57800a3f7313da6b21d3cb6ea11977f4e8977674b91d6d2eca09931a958bf1c +size 37560276 diff --git a/Mammals/Q3V0Z3/top.pdb b/Mammals/Q3V0Z3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..68586bc655cc32c6484f60d4f2e39f21860ac404 --- /dev/null +++ b/Mammals/Q3V0Z3/top.pdb @@ -0,0 +1,206 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LYS A 1 227.252 223.245 201.588 1.00 0.00 C +ATOM 2 CA PRO A 2 228.004 226.028 199.096 1.00 0.00 C +ATOM 3 CA SER A 3 226.589 225.914 195.561 1.00 0.00 C +ATOM 4 CA LEU A 4 224.049 223.220 194.664 1.00 0.00 C +ATOM 5 CA VAL A 5 223.783 221.586 191.232 1.00 0.00 C +ATOM 6 CA GLN A 6 225.566 218.377 190.213 1.00 0.00 C +ATOM 7 CA PRO A 7 224.208 217.216 186.847 1.00 0.00 C +ATOM 8 CA THR A 8 221.277 218.094 184.577 1.00 0.00 C +ATOM 9 CA VAL A 9 217.799 217.027 185.709 1.00 0.00 C +ATOM 10 CA PRO A 10 214.337 217.059 187.299 1.00 0.00 C +ATOM 11 CA PRO A 11 213.183 215.668 190.653 1.00 0.00 C +ATOM 12 CA ALA A 12 212.019 213.690 193.694 1.00 0.00 C +ATOM 13 CA CYS A 13 209.229 215.591 195.461 1.00 0.00 C +ATOM 14 CA THR A 14 208.770 217.774 198.550 1.00 0.00 C +ATOM 15 CA ARG A 15 205.966 220.198 199.434 1.00 0.00 C +ATOM 16 CA PRO A 16 205.183 223.656 200.828 1.00 0.00 C +ATOM 17 CA ALA A 17 207.808 226.226 201.837 1.00 0.00 C +ATOM 18 CA ALA A 18 210.702 225.863 199.387 1.00 0.00 C +ATOM 19 CA SER A 19 212.669 229.126 199.323 1.00 0.00 C +ATOM 20 CA GLY A 20 213.914 232.444 200.723 1.00 0.00 C +ATOM 21 CA SER A 21 216.649 234.927 201.655 1.00 0.00 C +ATOM 22 CA LYS A 22 218.140 237.272 204.261 1.00 0.00 C +ATOM 23 CA LEU A 23 217.385 240.983 204.680 1.00 0.00 C +ATOM 24 CA GLU A 24 218.155 244.639 203.934 1.00 0.00 C +ATOM 25 CA SER A 25 221.348 246.259 205.237 1.00 0.00 C +ATOM 26 CA GLN A 26 224.762 244.769 204.437 1.00 0.00 C +ATOM 27 CA THR A 27 225.632 241.265 205.655 1.00 0.00 C +ATOM 28 CA GLY A 28 224.066 237.835 206.201 1.00 0.00 C +ATOM 29 CA ALA A 29 225.780 235.566 208.738 1.00 0.00 C +ATOM 30 CA GLY A 30 227.761 233.035 210.784 1.00 0.00 C +ATOM 31 CA VAL A 31 227.547 229.243 210.490 1.00 0.00 C +ATOM 32 CA GLY A 32 225.291 227.037 212.625 1.00 0.00 C +ATOM 33 CA LYS A 33 224.776 227.343 216.388 1.00 0.00 C +ATOM 34 CA ALA A 34 227.607 225.584 218.234 1.00 0.00 C +ATOM 35 CA PRO A 35 230.988 225.341 216.494 1.00 0.00 C +ATOM 36 CA SER A 36 233.530 224.918 213.688 1.00 0.00 C +ATOM 37 CA PRO A 37 234.114 227.903 211.393 1.00 0.00 C +ATOM 38 CA GLY A 38 234.981 229.523 208.055 1.00 0.00 C +ATOM 39 CA HIS A 39 237.725 232.146 208.378 1.00 0.00 C +ATOM 40 CA PRO A 40 241.095 230.419 208.796 1.00 0.00 C +ATOM 41 CA LEU A 41 243.495 228.498 211.047 1.00 0.00 C +ATOM 42 CA ARG A 42 245.254 230.719 213.594 1.00 0.00 C +ATOM 43 CA PHE A 43 242.448 232.812 215.097 1.00 0.00 C +ATOM 44 CA LYS A 44 238.767 233.226 214.205 1.00 0.00 C +ATOM 45 CA SER A 45 237.452 236.596 213.010 1.00 0.00 C +ATOM 46 CA ASP A 46 233.925 237.901 212.396 1.00 0.00 C +ATOM 47 CA HIS A 47 233.743 241.140 214.394 1.00 0.00 C +ATOM 48 CA VAL A 48 234.118 241.561 218.162 1.00 0.00 C +ATOM 49 CA VAL A 49 230.839 242.811 219.645 1.00 0.00 C +ATOM 50 CA GLY A 50 228.474 244.268 222.253 1.00 0.00 C +ATOM 51 CA ALA A 51 224.725 244.055 222.898 1.00 0.00 C +ATOM 52 CA GLY A 52 222.721 244.297 226.129 1.00 0.00 C +ATOM 53 CA ASN A 53 222.013 245.887 229.519 1.00 0.00 C +ATOM 54 CA PRO A 54 222.080 245.617 233.319 1.00 0.00 C +ATOM 55 CA GLU A 55 224.430 243.269 235.183 1.00 0.00 C +ATOM 56 CA ARG A 56 226.781 240.691 233.652 1.00 0.00 C +ATOM 57 CA GLU A 57 230.343 239.913 232.545 1.00 0.00 C +ATOM 58 CA PRO A 58 230.660 241.586 229.137 1.00 0.00 C +ATOM 59 CA PHE A 59 231.049 238.883 226.480 1.00 0.00 C +ATOM 60 CA LYS A 60 227.947 236.705 226.090 1.00 0.00 C +ATOM 61 CA GLN A 61 225.293 235.566 228.575 1.00 0.00 C +ATOM 62 CA CYS A 62 226.674 232.485 230.341 1.00 0.00 C +ATOM 63 CA PRO A 63 225.838 230.881 233.694 1.00 0.00 C +ATOM 64 CA ALA A 64 225.109 229.322 237.094 1.00 0.00 C +ATOM 65 CA CYS A 65 225.540 230.456 240.706 1.00 0.00 C +ATOM 66 CA VAL A 66 228.474 232.885 240.777 1.00 0.00 C +ATOM 67 CA PRO A 67 228.715 235.886 238.441 1.00 0.00 C +ATOM 68 CA VAL A 68 230.800 239.028 238.985 1.00 0.00 C +ATOM 69 CA SER A 69 231.707 239.239 242.679 1.00 0.00 C +ATOM 70 CA PRO A 70 235.492 238.816 242.788 1.00 0.00 C +ATOM 71 CA TYR A 71 237.234 239.766 246.040 1.00 0.00 C +ATOM 72 CA GLN A 72 240.187 241.751 247.401 1.00 0.00 C +ATOM 73 CA SER A 73 239.131 242.823 250.901 1.00 0.00 C +ATOM 74 CA PHE A 74 236.473 245.317 252.013 1.00 0.00 C +ATOM 75 CA PRO A 75 233.664 247.783 252.748 1.00 0.00 C +ATOM 76 CA LEU A 76 232.442 249.160 256.083 1.00 0.00 C +ATOM 77 CA SER A 77 231.589 252.869 256.254 1.00 0.00 C +ATOM 78 CA GLU A 78 234.231 255.299 257.532 1.00 0.00 C +ATOM 79 CA GLY A 79 235.744 257.086 260.537 1.00 0.00 C +ATOM 80 CA GLN A 80 239.032 258.832 259.723 1.00 0.00 C +ATOM 81 CA ASP A 81 241.595 257.573 257.202 1.00 0.00 C +ATOM 82 CA SER A 82 242.074 257.942 253.440 1.00 0.00 C +ATOM 83 CA SER A 83 245.046 258.817 251.221 1.00 0.00 C +ATOM 84 CA SER A 84 247.858 261.142 250.126 1.00 0.00 C +ATOM 85 CA ALA A 85 250.866 261.242 252.463 1.00 0.00 C +ATOM 86 CA LEU A 86 253.588 262.662 254.719 1.00 0.00 C +ATOM 87 CA GLY A 87 256.671 264.813 254.099 1.00 0.00 C +ATOM 88 CA VAL A 88 259.491 266.852 255.650 1.00 0.00 C +ATOM 89 CA PRO A 89 262.975 265.752 254.572 1.00 0.00 C +ATOM 90 CA GLN A 90 265.442 268.368 253.310 1.00 0.00 C +ATOM 91 CA GLN A 91 267.789 266.684 250.827 1.00 0.00 C +ATOM 92 CA ARG A 92 270.934 265.924 252.839 1.00 0.00 C +ATOM 93 CA GLY A 93 274.009 266.060 255.084 1.00 0.00 C +ATOM 94 CA PHE A 94 273.609 265.663 258.852 1.00 0.00 C +ATOM 95 CA ARG A 95 274.356 265.127 262.550 1.00 0.00 C +ATOM 96 CA HIS A 96 271.706 264.732 265.259 1.00 0.00 C +ATOM 97 CA VAL A 97 271.052 262.473 268.256 1.00 0.00 C +ATOM 98 CA SER A 98 267.759 263.625 269.786 1.00 0.00 C +ATOM 99 CA CYS A 99 265.199 261.050 268.631 1.00 0.00 C +ATOM 100 CA SER A 100 263.171 258.925 271.057 1.00 0.00 C +ATOM 101 CA PRO A 101 260.895 260.808 273.462 1.00 0.00 C +ATOM 102 CA TYR A 102 261.469 264.511 272.772 1.00 0.00 C +ATOM 103 CA HIS A 103 259.902 267.466 270.948 1.00 0.00 C +ATOM 104 CA ARG A 104 262.482 270.123 270.055 1.00 0.00 C +ATOM 105 CA SER A 105 264.669 272.749 268.371 1.00 0.00 C +ATOM 106 CA GLY A 106 266.820 273.882 265.437 1.00 0.00 C +ATOM 107 CA LEU A 107 268.369 271.041 263.425 1.00 0.00 C +ATOM 108 CA VAL A 108 269.133 271.216 259.696 1.00 0.00 C +ATOM 109 CA SER A 109 272.290 273.243 259.033 1.00 0.00 C +ATOM 110 CA GLU A 110 272.237 273.896 255.279 1.00 0.00 C +ATOM 111 CA PRO A 111 274.649 272.723 252.574 1.00 0.00 C +ATOM 112 CA ALA A 112 277.011 275.133 250.805 1.00 0.00 C +ATOM 113 CA ARG A 113 280.314 273.703 249.557 1.00 0.00 C +ATOM 114 CA ASP A 114 282.935 271.185 250.700 1.00 0.00 C +ATOM 115 CA LEU A 115 285.188 268.344 249.530 1.00 0.00 C +ATOM 116 CA GLN A 116 285.505 265.793 252.342 1.00 0.00 C +ATOM 117 CA PRO A 117 286.984 262.595 253.793 1.00 0.00 C +ATOM 118 CA THR A 118 289.150 259.468 253.587 1.00 0.00 C +ATOM 119 CA TYR A 119 292.560 260.609 254.845 1.00 0.00 C +ATOM 120 CA CYS A 120 294.096 257.960 257.113 1.00 0.00 C +ATOM 121 CA SER A 121 295.263 258.141 260.735 1.00 0.00 C +ATOM 122 CA PRO A 122 293.300 257.601 263.956 1.00 0.00 C +ATOM 123 CA PRO A 123 290.067 255.782 264.825 1.00 0.00 C +ATOM 124 CA PRO A 124 288.974 253.905 261.695 1.00 0.00 C +ATOM 125 CA PRO A 125 286.184 251.342 261.293 1.00 0.00 C +ATOM 126 CA PRO A 126 282.826 250.412 262.834 1.00 0.00 C +ATOM 127 CA PRO A 127 280.894 250.973 266.070 1.00 0.00 C +ATOM 128 CA PRO A 128 277.463 249.325 265.913 1.00 0.00 C +ATOM 129 CA PRO A 129 273.686 249.452 266.400 1.00 0.00 C +ATOM 130 CA PRO A 130 271.690 246.457 267.650 1.00 0.00 C +ATOM 131 CA PRO A 131 268.765 246.503 270.091 1.00 0.00 C +ATOM 132 CA PRO A 132 268.854 249.130 272.849 1.00 0.00 C +ATOM 133 CA PRO A 133 267.514 247.876 276.188 1.00 0.00 C +ATOM 134 CA LEU A 134 264.513 248.136 278.521 1.00 0.00 C +ATOM 135 CA PRO A 135 262.058 246.269 280.757 1.00 0.00 C +ATOM 136 CA ALA A 136 262.241 246.098 284.558 1.00 0.00 C +ATOM 137 CA PRO A 137 262.947 247.163 288.148 1.00 0.00 C +ATOM 138 CA PRO A 138 261.632 248.276 291.546 1.00 0.00 C +ATOM 139 CA PRO A 139 259.593 245.357 292.900 1.00 0.00 C +ATOM 140 CA GLN A 140 258.869 241.677 293.572 1.00 0.00 C +ATOM 141 CA PRO A 141 258.663 239.663 296.800 1.00 0.00 C +ATOM 142 CA GLN A 142 260.439 241.639 299.531 1.00 0.00 C +ATOM 143 CA GLN A 143 260.623 245.378 300.238 1.00 0.00 C +ATOM 144 CA PRO A 144 262.815 248.248 299.025 1.00 0.00 C +ATOM 145 CA HIS A 145 263.276 251.235 301.345 1.00 0.00 C +ATOM 146 CA PHE A 146 265.629 253.716 303.025 1.00 0.00 C +ATOM 147 CA LEU A 147 263.472 255.906 305.276 1.00 0.00 C +ATOM 148 CA PRO A 148 262.498 259.543 304.698 1.00 0.00 C +ATOM 149 CA PRO A 149 260.299 260.862 301.880 1.00 0.00 C +ATOM 150 CA GLY A 150 256.892 261.966 300.578 1.00 0.00 C +ATOM 151 CA TYR A 151 253.756 260.031 301.546 1.00 0.00 C +ATOM 152 CA LEU A 152 251.422 257.862 299.456 1.00 0.00 C +ATOM 153 CA SER A 153 249.128 257.285 296.470 1.00 0.00 C +ATOM 154 CA ALA A 154 248.045 260.650 295.048 1.00 0.00 C +ATOM 155 CA LEU A 155 250.238 263.184 296.862 1.00 0.00 C +ATOM 156 CA HIS A 156 253.488 264.896 295.851 1.00 0.00 C +ATOM 157 CA PHE A 157 256.616 267.071 295.874 1.00 0.00 C +ATOM 158 CA LEU A 158 258.751 269.930 297.209 1.00 0.00 C +ATOM 159 CA PRO A 159 257.361 272.711 299.411 1.00 0.00 C +ATOM 160 CA PRO A 160 254.526 274.939 300.642 1.00 0.00 C +ATOM 161 CA PRO A 161 251.878 276.095 298.159 1.00 0.00 C +ATOM 162 CA PRO A 162 251.221 273.704 295.266 1.00 0.00 C +ATOM 163 CA PRO A 163 250.973 273.196 291.499 1.00 0.00 C +ATOM 164 CA PRO A 164 253.608 273.647 288.783 1.00 0.00 C +ATOM 165 CA PRO A 165 255.597 276.469 287.174 1.00 0.00 C +ATOM 166 CA SER A 166 253.740 277.915 284.178 1.00 0.00 C +ATOM 167 CA PRO A 167 253.118 276.517 280.688 1.00 0.00 C +ATOM 168 CA PRO A 168 251.961 274.580 277.619 1.00 0.00 C +ATOM 169 CA SER A 169 254.241 275.784 274.814 1.00 0.00 C +ATOM 170 CA PHE A 170 254.700 274.531 271.246 1.00 0.00 C +ATOM 171 CA SER A 171 256.330 276.320 268.304 1.00 0.00 C +ATOM 172 CA LEU A 172 257.873 273.775 265.924 1.00 0.00 C +ATOM 173 CA THR A 173 260.666 273.579 263.340 1.00 0.00 C +ATOM 174 CA TYR A 174 262.080 270.271 262.085 1.00 0.00 C +ATOM 175 CA ASP A 175 262.877 267.098 264.039 1.00 0.00 C +ATOM 176 CA THR A 176 259.788 264.961 264.672 1.00 0.00 C +ATOM 177 CA ASP A 177 257.869 261.748 263.957 1.00 0.00 C +ATOM 178 CA LYS A 178 258.159 260.270 260.457 1.00 0.00 C +ATOM 179 CA GLU A 179 255.635 257.541 259.624 1.00 0.00 C +ATOM 180 CA ASN A 180 252.717 255.952 261.490 1.00 0.00 C +ATOM 181 CA THR A 181 252.282 252.171 261.649 1.00 0.00 C +ATOM 182 CA ASN A 182 253.982 250.440 264.586 1.00 0.00 C +ATOM 183 CA ASP A 183 256.311 248.082 266.465 1.00 0.00 C +ATOM 184 CA GLN A 184 255.946 246.126 269.714 1.00 0.00 C +ATOM 185 CA ASP A 185 256.445 246.463 273.476 1.00 0.00 C +ATOM 186 CA ALA A 186 259.111 249.101 274.146 1.00 0.00 C +ATOM 187 CA GLU A 187 262.479 250.520 273.071 1.00 0.00 C +ATOM 188 CA ALA A 188 261.990 252.271 269.723 1.00 0.00 C +ATOM 189 CA PRO A 189 263.163 249.901 266.981 1.00 0.00 C +ATOM 190 CA THR A 190 264.146 251.630 263.732 1.00 0.00 C +ATOM 191 CA GLU A 191 267.476 250.300 262.443 1.00 0.00 C +ATOM 192 CA PRO A 192 268.810 252.400 259.557 1.00 0.00 C +ATOM 193 CA SER A 193 269.746 253.767 256.126 1.00 0.00 C +ATOM 194 CA GLN A 194 272.076 253.636 253.114 1.00 0.00 C +ATOM 195 CA ASP A 195 274.342 255.058 250.402 1.00 0.00 C +ATOM 196 CA SER A 196 276.511 258.141 250.952 1.00 0.00 C +ATOM 197 CA PRO A 197 278.086 258.965 254.322 1.00 0.00 C +ATOM 198 CA GLN A 198 276.093 256.877 256.808 1.00 0.00 C +ATOM 199 CA GLU A 199 274.931 258.499 260.054 1.00 0.00 C +ATOM 200 CA GLN A 200 276.661 257.496 263.297 1.00 0.00 C +ATOM 201 CA SER A 201 280.443 257.542 262.841 1.00 0.00 C +ATOM 202 CA ASN A 202 282.557 258.505 259.821 1.00 0.00 C +TER 203 ASN A 202 +END diff --git a/Mammals/Q3V177/Q3V177.dcd b/Mammals/Q3V177/Q3V177.dcd new file mode 100644 index 0000000000000000000000000000000000000000..9e64b9ed24cb41fc92ed16cfe38b2d45671c8a08 --- /dev/null +++ b/Mammals/Q3V177/Q3V177.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2462fb3b16566fc538f722d40fedd35302c138cf4403b883b716359f01fd23eb +size 21200276 diff --git a/Mammals/Q3V177/top.pdb b/Mammals/Q3V177/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ca9beae33e96f39e2c28b4b0020de610285b4e41 --- /dev/null +++ b/Mammals/Q3V177/top.pdb @@ -0,0 +1,174 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 225.515 240.254 317.070 1.00 0.00 C +ATOM 2 CA MET A 2 228.408 239.521 314.701 1.00 0.00 C +ATOM 3 CA ARG A 3 231.475 239.888 312.471 1.00 0.00 C +ATOM 4 CA ASN A 4 231.691 241.842 309.207 1.00 0.00 C +ATOM 5 CA LYS A 5 230.870 245.257 307.731 1.00 0.00 C +ATOM 6 CA ASP A 6 231.710 245.722 304.044 1.00 0.00 C +ATOM 7 CA LYS A 7 234.653 246.111 301.655 1.00 0.00 C +ATOM 8 CA SER A 8 235.580 249.801 301.870 1.00 0.00 C +ATOM 9 CA GLN A 9 235.697 251.552 298.488 1.00 0.00 C +ATOM 10 CA GLU A 10 236.305 254.095 295.717 1.00 0.00 C +ATOM 11 CA GLU A 11 238.106 257.428 295.311 1.00 0.00 C +ATOM 12 CA ASP A 12 241.021 259.841 295.752 1.00 0.00 C +ATOM 13 CA SER A 13 242.100 263.438 295.109 1.00 0.00 C +ATOM 14 CA SER A 14 244.581 265.081 297.488 1.00 0.00 C +ATOM 15 CA LEU A 15 247.933 263.311 297.878 1.00 0.00 C +ATOM 16 CA HIS A 16 247.278 260.509 300.376 1.00 0.00 C +ATOM 17 CA SER A 17 248.414 259.722 303.927 1.00 0.00 C +ATOM 18 CA ASN A 18 246.283 259.426 307.071 1.00 0.00 C +ATOM 19 CA ALA A 19 248.357 258.612 310.161 1.00 0.00 C +ATOM 20 CA SER A 20 251.420 259.725 312.135 1.00 0.00 C +ATOM 21 CA SER A 21 253.751 262.482 310.919 1.00 0.00 C +ATOM 22 CA ARG A 22 253.344 264.991 308.081 1.00 0.00 C +ATOM 23 CA SER A 23 255.022 268.095 306.642 1.00 0.00 C +ATOM 24 CA ALA A 24 254.114 271.232 304.681 1.00 0.00 C +ATOM 25 CA SER A 25 257.246 273.383 304.406 1.00 0.00 C +ATOM 26 CA GLU A 26 260.163 275.800 303.996 1.00 0.00 C +ATOM 27 CA GLU A 27 263.718 275.753 302.627 1.00 0.00 C +ATOM 28 CA VAL A 28 264.832 275.272 299.015 1.00 0.00 C +ATOM 29 CA SER A 29 266.580 273.210 296.330 1.00 0.00 C +ATOM 30 CA GLY A 30 269.236 270.907 294.861 1.00 0.00 C +ATOM 31 CA SER A 31 269.928 268.744 291.803 1.00 0.00 C +ATOM 32 CA ASP A 32 268.253 265.494 290.732 1.00 0.00 C +ATOM 33 CA SER A 33 267.041 264.775 287.192 1.00 0.00 C +ATOM 34 CA GLY A 34 265.731 263.604 283.811 1.00 0.00 C +ATOM 35 CA SER A 35 262.278 261.995 283.834 1.00 0.00 C +ATOM 36 CA GLN A 36 261.232 261.502 280.203 1.00 0.00 C +ATOM 37 CA SER A 37 261.537 258.555 277.809 1.00 0.00 C +ATOM 38 CA GLU A 38 258.525 256.842 276.225 1.00 0.00 C +ATOM 39 CA SER A 39 256.328 254.564 274.103 1.00 0.00 C +ATOM 40 CA GLU A 40 255.676 256.089 270.674 1.00 0.00 C +ATOM 41 CA GLN A 41 255.181 258.174 267.523 1.00 0.00 C +ATOM 42 CA GLY A 42 253.729 257.168 264.148 1.00 0.00 C +ATOM 43 CA SER A 43 254.391 259.783 261.456 1.00 0.00 C +ATOM 44 CA GLU A 44 251.641 259.668 258.822 1.00 0.00 C +ATOM 45 CA PRO A 45 249.261 262.611 259.259 1.00 0.00 C +ATOM 46 CA GLY A 46 248.232 265.555 257.072 1.00 0.00 C +ATOM 47 CA SER A 47 251.455 267.107 255.759 1.00 0.00 C +ATOM 48 CA GLY A 48 253.017 266.655 252.314 1.00 0.00 C +ATOM 49 CA HIS A 49 254.196 266.660 248.691 1.00 0.00 C +ATOM 50 CA GLY A 50 253.769 270.266 247.535 1.00 0.00 C +ATOM 51 CA SER A 51 257.062 272.121 247.053 1.00 0.00 C +ATOM 52 CA GLU A 52 260.678 271.828 248.218 1.00 0.00 C +ATOM 53 CA SER A 53 263.791 269.991 247.013 1.00 0.00 C +ATOM 54 CA ASN A 54 266.849 267.719 246.980 1.00 0.00 C +ATOM 55 CA SER A 55 267.908 264.520 248.758 1.00 0.00 C +ATOM 56 CA SER A 56 270.843 263.454 250.941 1.00 0.00 C +ATOM 57 CA SER A 57 271.535 264.628 254.499 1.00 0.00 C +ATOM 58 CA GLU A 58 273.469 265.421 257.684 1.00 0.00 C +ATOM 59 CA SER A 59 275.131 264.680 261.031 1.00 0.00 C +ATOM 60 CA SER A 60 275.649 261.476 263.028 1.00 0.00 C +ATOM 61 CA GLU A 61 275.325 258.537 265.430 1.00 0.00 C +ATOM 62 CA SER A 62 273.449 257.956 268.695 1.00 0.00 C +ATOM 63 CA GLN A 63 269.945 256.549 269.200 1.00 0.00 C +ATOM 64 CA SER A 64 267.764 255.572 272.167 1.00 0.00 C +ATOM 65 CA GLU A 65 267.226 257.940 275.102 1.00 0.00 C +ATOM 66 CA SER A 66 266.167 261.279 273.603 1.00 0.00 C +ATOM 67 CA GLU A 67 268.377 264.028 275.044 1.00 0.00 C +ATOM 68 CA SER A 68 270.179 266.701 273.014 1.00 0.00 C +ATOM 69 CA GLU A 69 270.095 270.192 271.490 1.00 0.00 C +ATOM 70 CA SER A 70 267.172 271.838 269.684 1.00 0.00 C +ATOM 71 CA ALA A 71 264.541 269.758 267.876 1.00 0.00 C +ATOM 72 CA GLY A 72 266.497 266.869 266.345 1.00 0.00 C +ATOM 73 CA SER A 73 265.283 266.279 262.782 1.00 0.00 C +ATOM 74 CA LYS A 74 263.063 264.499 260.249 1.00 0.00 C +ATOM 75 CA SER A 75 261.606 265.870 257.006 1.00 0.00 C +ATOM 76 CA GLN A 76 262.660 268.617 254.586 1.00 0.00 C +ATOM 77 CA PRO A 77 260.041 271.378 254.777 1.00 0.00 C +ATOM 78 CA VAL A 78 256.875 272.699 253.118 1.00 0.00 C +ATOM 79 CA LEU A 79 254.495 275.291 251.658 1.00 0.00 C +ATOM 80 CA PRO A 80 254.569 279.086 251.330 1.00 0.00 C +ATOM 81 CA GLU A 81 252.380 281.313 249.147 1.00 0.00 C +ATOM 82 CA ALA A 82 252.962 283.649 246.194 1.00 0.00 C +ATOM 83 CA LYS A 83 253.972 287.321 246.328 1.00 0.00 C +ATOM 84 CA GLU A 84 252.252 289.837 248.614 1.00 0.00 C +ATOM 85 CA LYS A 85 250.685 293.203 247.761 1.00 0.00 C +ATOM 86 CA PRO A 86 246.882 292.983 247.682 1.00 0.00 C +ATOM 87 CA ALA A 87 244.157 290.330 247.453 1.00 0.00 C +ATOM 88 CA SER A 88 245.721 286.861 247.652 1.00 0.00 C +ATOM 89 CA LYS A 89 243.656 283.697 247.165 1.00 0.00 C +ATOM 90 CA LYS A 90 240.516 283.758 249.323 1.00 0.00 C +ATOM 91 CA GLU A 91 236.890 283.433 248.201 1.00 0.00 C +ATOM 92 CA ARG A 92 234.310 280.865 247.075 1.00 0.00 C +ATOM 93 CA ILE A 93 230.982 280.569 248.906 1.00 0.00 C +ATOM 94 CA ALA A 94 230.273 277.500 251.051 1.00 0.00 C +ATOM 95 CA ASP A 95 230.069 274.168 249.214 1.00 0.00 C +ATOM 96 CA VAL A 96 226.553 273.286 248.040 1.00 0.00 C +ATOM 97 CA LYS A 97 223.691 271.000 249.088 1.00 0.00 C +ATOM 98 CA LYS A 98 221.060 268.748 247.498 1.00 0.00 C +ATOM 99 CA MET A 99 218.414 267.831 244.916 1.00 0.00 C +ATOM 100 CA TRP A 100 217.888 266.826 241.279 1.00 0.00 C +ATOM 101 CA GLU A 101 217.047 268.083 237.782 1.00 0.00 C +ATOM 102 CA GLU A 102 219.288 268.838 234.794 1.00 0.00 C +ATOM 103 CA TYR A 103 222.296 266.691 233.868 1.00 0.00 C +ATOM 104 CA PRO A 104 224.801 267.852 231.242 1.00 0.00 C +ATOM 105 CA ASP A 105 227.110 267.835 228.212 1.00 0.00 C +ATOM 106 CA VAL A 106 230.375 265.881 228.413 1.00 0.00 C +ATOM 107 CA TYR A 107 233.866 264.355 228.359 1.00 0.00 C +ATOM 108 CA GLY A 108 235.638 261.291 229.768 1.00 0.00 C +ATOM 109 CA VAL A 109 238.865 260.139 231.435 1.00 0.00 C +ATOM 110 CA ARG A 110 241.275 257.254 232.052 1.00 0.00 C +ATOM 111 CA ARG A 111 243.603 254.243 232.236 1.00 0.00 C +ATOM 112 CA SER A 112 245.905 252.455 234.689 1.00 0.00 C +ATOM 113 CA ASN A 113 245.472 252.354 238.473 1.00 0.00 C +ATOM 114 CA ARG A 114 244.782 249.191 240.481 1.00 0.00 C +ATOM 115 CA SER A 115 242.009 246.600 240.824 1.00 0.00 C +ATOM 116 CA ARG A 116 239.008 245.509 238.747 1.00 0.00 C +ATOM 117 CA GLN A 117 237.421 245.301 235.289 1.00 0.00 C +ATOM 118 CA GLU A 118 238.710 247.272 232.295 1.00 0.00 C +ATOM 119 CA PRO A 119 240.887 249.127 229.778 1.00 0.00 C +ATOM 120 CA SER A 120 244.114 248.350 227.908 1.00 0.00 C +ATOM 121 CA ARG A 121 246.571 247.210 230.587 1.00 0.00 C +ATOM 122 CA PHE A 122 245.391 245.296 233.663 1.00 0.00 C +ATOM 123 CA ASN A 123 247.055 242.445 235.567 1.00 0.00 C +ATOM 124 CA VAL A 124 246.657 238.761 236.454 1.00 0.00 C +ATOM 125 CA LYS A 125 245.138 235.267 236.405 1.00 0.00 C +ATOM 126 CA GLU A 126 247.478 232.714 234.817 1.00 0.00 C +ATOM 127 CA GLU A 127 250.286 231.293 232.670 1.00 0.00 C +ATOM 128 CA ALA A 128 251.376 231.938 229.076 1.00 0.00 C +ATOM 129 CA SER A 129 253.593 233.399 226.344 1.00 0.00 C +ATOM 130 CA SER A 130 256.914 234.044 224.592 1.00 0.00 C +ATOM 131 CA GLY A 131 259.470 233.773 221.780 1.00 0.00 C +ATOM 132 CA SER A 132 262.502 231.556 221.139 1.00 0.00 C +ATOM 133 CA GLU A 133 262.383 229.593 217.875 1.00 0.00 C +ATOM 134 CA SER A 134 261.856 228.309 214.327 1.00 0.00 C +ATOM 135 CA GLY A 135 258.965 227.972 211.869 1.00 0.00 C +ATOM 136 CA SER A 136 255.345 226.799 211.682 1.00 0.00 C +ATOM 137 CA PRO A 137 255.147 224.809 208.439 1.00 0.00 C +ATOM 138 CA LYS A 138 258.499 224.651 206.634 1.00 0.00 C +ATOM 139 CA ARG A 139 258.777 223.289 203.087 1.00 0.00 C +ATOM 140 CA ARG A 140 257.549 223.727 199.507 1.00 0.00 C +ATOM 141 CA GLY A 141 256.754 220.431 197.770 1.00 0.00 C +ATOM 142 CA GLN A 142 257.398 220.039 194.035 1.00 0.00 C +ATOM 143 CA ARG A 143 259.341 219.033 190.916 1.00 0.00 C +ATOM 144 CA GLN A 144 257.662 216.537 188.577 1.00 0.00 C +ATOM 145 CA LEU A 145 255.926 213.796 190.574 1.00 0.00 C +ATOM 146 CA LYS A 146 252.890 212.323 188.804 1.00 0.00 C +ATOM 147 CA LYS A 147 251.049 209.073 189.552 1.00 0.00 C +ATOM 148 CA GLN A 148 250.927 205.944 191.724 1.00 0.00 C +ATOM 149 CA GLU A 149 253.238 205.662 194.740 1.00 0.00 C +ATOM 150 CA LYS A 150 254.237 202.268 196.154 1.00 0.00 C +ATOM 151 CA TRP A 151 251.362 200.053 197.312 1.00 0.00 C +ATOM 152 CA LYS A 152 249.945 199.150 200.732 1.00 0.00 C +ATOM 153 CA GLN A 153 247.551 198.594 203.644 1.00 0.00 C +ATOM 154 CA ASP A 154 247.431 198.893 207.440 1.00 0.00 C +ATOM 155 CA PRO A 155 246.081 199.815 210.882 1.00 0.00 C +ATOM 156 CA SER A 156 248.601 200.545 213.644 1.00 0.00 C +ATOM 157 CA GLU A 157 249.500 203.846 215.322 1.00 0.00 C +ATOM 158 CA ASP A 158 251.114 206.626 213.278 1.00 0.00 C +ATOM 159 CA GLU A 159 250.097 207.078 209.635 1.00 0.00 C +ATOM 160 CA GLN A 160 248.731 205.002 206.746 1.00 0.00 C +ATOM 161 CA GLU A 161 244.946 204.713 207.072 1.00 0.00 C +ATOM 162 CA GLN A 162 241.507 203.095 206.795 1.00 0.00 C +ATOM 163 CA GLY A 163 238.112 201.372 206.664 1.00 0.00 C +ATOM 164 CA THR A 164 238.162 198.917 209.577 1.00 0.00 C +ATOM 165 CA SER A 165 238.162 195.989 212.015 1.00 0.00 C +ATOM 166 CA ALA A 166 240.375 193.482 213.840 1.00 0.00 C +ATOM 167 CA GLU A 167 240.111 189.727 213.253 1.00 0.00 C +ATOM 168 CA SER A 168 240.908 187.430 216.186 1.00 0.00 C +ATOM 169 CA GLU A 169 239.702 185.892 219.457 1.00 0.00 C +ATOM 170 CA ALA A 170 236.403 187.179 220.861 1.00 0.00 C +TER 171 ALA A 170 +END diff --git a/Mammals/Q3V208/Q3V208.dcd b/Mammals/Q3V208/Q3V208.dcd new file mode 100644 index 0000000000000000000000000000000000000000..059d21cc44ae174009a1a448dbeb36b5a3a5a178 --- /dev/null +++ b/Mammals/Q3V208/Q3V208.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:af605994a2b3079d6215f4231999eea908bbc1d6193b3b85bfa221073710c2af +size 20840276 diff --git a/Mammals/Q3V208/top.pdb b/Mammals/Q3V208/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..37f1783491c589cb811d6fcc8114e965561ec7eb --- /dev/null +++ b/Mammals/Q3V208/top.pdb @@ -0,0 +1,171 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLY A 1 287.808 211.088 222.733 1.00 0.00 C +ATOM 2 CA SER A 2 286.431 213.466 220.094 1.00 0.00 C +ATOM 3 CA VAL A 3 283.705 215.862 218.934 1.00 0.00 C +ATOM 4 CA GLN A 4 282.096 218.853 220.661 1.00 0.00 C +ATOM 5 CA PRO A 5 281.867 222.633 221.075 1.00 0.00 C +ATOM 6 CA SER A 6 281.642 224.991 224.059 1.00 0.00 C +ATOM 7 CA GLY A 7 281.732 222.737 227.129 1.00 0.00 C +ATOM 8 CA SER A 8 283.129 220.851 230.130 1.00 0.00 C +ATOM 9 CA PRO A 9 281.766 218.931 233.126 1.00 0.00 C +ATOM 10 CA ILE A 10 284.776 218.495 235.421 1.00 0.00 C +ATOM 11 CA PHE A 11 283.933 218.168 239.122 1.00 0.00 C +ATOM 12 CA GLY A 12 282.405 216.439 242.154 1.00 0.00 C +ATOM 13 CA PRO A 13 279.256 218.312 243.196 1.00 0.00 C +ATOM 14 CA ILE A 14 276.638 220.796 244.418 1.00 0.00 C +ATOM 15 CA ILE A 15 274.088 223.254 243.016 1.00 0.00 C +ATOM 16 CA GLY A 16 270.830 223.871 244.892 1.00 0.00 C +ATOM 17 CA THR A 17 268.177 221.639 246.472 1.00 0.00 C +ATOM 18 CA PRO A 18 267.850 220.174 249.974 1.00 0.00 C +ATOM 19 CA ALA A 19 269.890 217.106 250.944 1.00 0.00 C +ATOM 20 CA PRO A 20 269.238 213.507 252.010 1.00 0.00 C +ATOM 21 CA ALA A 21 269.302 212.464 255.675 1.00 0.00 C +ATOM 22 CA GLY A 22 269.752 209.194 257.576 1.00 0.00 C +ATOM 23 CA GLU A 23 272.028 206.190 257.015 1.00 0.00 C +ATOM 24 CA ILE A 24 275.462 207.089 255.631 1.00 0.00 C +ATOM 25 CA GLY A 25 276.875 206.445 252.152 1.00 0.00 C +ATOM 26 CA ARG A 26 277.859 207.279 248.567 1.00 0.00 C +ATOM 27 CA GLU A 27 281.124 208.686 247.198 1.00 0.00 C +ATOM 28 CA THR A 28 281.544 212.408 247.899 1.00 0.00 C +ATOM 29 CA PRO A 29 282.885 215.946 248.346 1.00 0.00 C +ATOM 30 CA GLY A 30 281.153 218.140 250.935 1.00 0.00 C +ATOM 31 CA THR A 31 277.860 219.950 250.306 1.00 0.00 C +ATOM 32 CA TRP A 32 275.863 220.733 253.455 1.00 0.00 C +ATOM 33 CA SER A 33 273.734 221.111 256.592 1.00 0.00 C +ATOM 34 CA GLU A 34 274.662 223.651 259.276 1.00 0.00 C +ATOM 35 CA ALA A 35 275.540 225.822 262.282 1.00 0.00 C +ATOM 36 CA GLY A 36 274.795 229.557 262.400 1.00 0.00 C +ATOM 37 CA GLU A 37 274.131 233.165 263.426 1.00 0.00 C +ATOM 38 CA ARG A 38 271.745 235.376 261.442 1.00 0.00 C +ATOM 39 CA GLY A 39 270.844 238.645 259.704 1.00 0.00 C +ATOM 40 CA GLN A 40 267.804 240.482 261.082 1.00 0.00 C +ATOM 41 CA ALA A 41 264.251 239.108 261.014 1.00 0.00 C +ATOM 42 CA ALA A 42 260.499 239.196 260.359 1.00 0.00 C +ATOM 43 CA ALA A 43 259.977 238.020 256.773 1.00 0.00 C +ATOM 44 CA ALA A 44 259.498 234.882 254.665 1.00 0.00 C +ATOM 45 CA ASP A 45 258.808 232.478 251.792 1.00 0.00 C +ATOM 46 CA ASP A 46 260.678 229.184 252.212 1.00 0.00 C +ATOM 47 CA GLU A 47 262.793 228.146 255.206 1.00 0.00 C +ATOM 48 CA VAL A 48 261.777 225.532 257.785 1.00 0.00 C +ATOM 49 CA GLN A 49 264.311 222.796 258.564 1.00 0.00 C +ATOM 50 CA ARG A 50 267.823 223.030 257.105 1.00 0.00 C +ATOM 51 CA GLU A 51 269.460 225.201 254.436 1.00 0.00 C +ATOM 52 CA SER A 52 270.697 226.743 251.179 1.00 0.00 C +ATOM 53 CA ALA A 53 274.201 226.666 249.686 1.00 0.00 C +ATOM 54 CA HIS A 54 277.328 228.612 248.708 1.00 0.00 C +ATOM 55 CA ALA A 55 279.331 231.616 249.924 1.00 0.00 C +ATOM 56 CA PRO A 56 278.969 233.607 253.152 1.00 0.00 C +ATOM 57 CA ALA A 57 277.610 234.030 256.687 1.00 0.00 C +ATOM 58 CA GLN A 58 274.510 231.817 256.783 1.00 0.00 C +ATOM 59 CA PRO A 59 271.392 231.663 254.598 1.00 0.00 C +ATOM 60 CA GLY A 60 268.466 232.593 256.853 1.00 0.00 C +ATOM 61 CA GLN A 61 268.184 230.084 259.707 1.00 0.00 C +ATOM 62 CA PRO A 62 269.176 227.354 262.172 1.00 0.00 C +ATOM 63 CA GLY A 63 267.396 224.378 263.751 1.00 0.00 C +ATOM 64 CA ARG A 64 266.444 222.561 266.962 1.00 0.00 C +ATOM 65 CA GLN A 65 267.406 224.376 270.171 1.00 0.00 C +ATOM 66 CA LEU A 66 266.512 223.899 273.844 1.00 0.00 C +ATOM 67 CA LEU A 67 263.319 222.008 274.710 1.00 0.00 C +ATOM 68 CA HIS A 68 260.094 222.060 272.683 1.00 0.00 C +ATOM 69 CA GLY A 69 259.396 224.266 269.656 1.00 0.00 C +ATOM 70 CA MET A 70 258.357 222.162 266.654 1.00 0.00 C +ATOM 71 CA GLY A 71 258.774 219.213 264.279 1.00 0.00 C +ATOM 72 CA ALA A 72 259.108 217.013 261.186 1.00 0.00 C +ATOM 73 CA PRO A 73 258.990 213.441 259.864 1.00 0.00 C +ATOM 74 CA ARG A 74 255.439 212.065 259.742 1.00 0.00 C +ATOM 75 CA GLY A 75 253.311 209.202 258.405 1.00 0.00 C +ATOM 76 CA SER A 76 253.785 206.219 260.728 1.00 0.00 C +ATOM 77 CA PRO A 77 251.276 203.436 260.038 1.00 0.00 C +ATOM 78 CA SER A 78 248.447 204.709 257.826 1.00 0.00 C +ATOM 79 CA ARG A 79 245.777 206.396 255.695 1.00 0.00 C +ATOM 80 CA ASP A 80 244.585 209.951 256.371 1.00 0.00 C +ATOM 81 CA PRO A 81 245.744 213.056 258.250 1.00 0.00 C +ATOM 82 CA ASP A 82 244.299 216.118 256.504 1.00 0.00 C +ATOM 83 CA GLY A 83 240.664 215.640 255.467 1.00 0.00 C +ATOM 84 CA GLN A 84 239.355 219.149 254.769 1.00 0.00 C +ATOM 85 CA SER A 85 240.411 221.272 251.786 1.00 0.00 C +ATOM 86 CA ARG A 86 239.020 224.785 252.273 1.00 0.00 C +ATOM 87 CA ALA A 87 236.383 227.144 250.860 1.00 0.00 C +ATOM 88 CA ALA A 88 236.186 230.935 250.527 1.00 0.00 C +ATOM 89 CA ARG A 89 235.726 234.536 249.373 1.00 0.00 C +ATOM 90 CA ALA A 90 232.162 235.882 249.323 1.00 0.00 C +ATOM 91 CA VAL A 91 230.364 238.370 247.067 1.00 0.00 C +ATOM 92 CA ARG A 92 229.051 241.769 245.952 1.00 0.00 C +ATOM 93 CA PRO A 93 230.408 243.938 243.129 1.00 0.00 C +ATOM 94 CA PRO A 94 227.411 245.851 241.761 1.00 0.00 C +ATOM 95 CA PRO A 95 224.960 247.551 244.131 1.00 0.00 C +ATOM 96 CA PRO A 96 224.533 251.043 242.667 1.00 0.00 C +ATOM 97 CA PRO A 97 227.666 253.170 243.080 1.00 0.00 C +ATOM 98 CA GLY A 98 229.218 254.762 239.985 1.00 0.00 C +ATOM 99 CA PRO A 99 232.698 256.297 240.201 1.00 0.00 C +ATOM 100 CA LYS A 100 234.545 255.961 243.517 1.00 0.00 C +ATOM 101 CA ARG A 101 235.269 254.457 246.941 1.00 0.00 C +ATOM 102 CA ARG A 102 237.280 255.525 249.996 1.00 0.00 C +ATOM 103 CA SER A 103 235.159 257.722 252.274 1.00 0.00 C +ATOM 104 CA PRO A 104 235.046 260.839 254.463 1.00 0.00 C +ATOM 105 CA PRO A 105 233.896 264.298 253.353 1.00 0.00 C +ATOM 106 CA GLY A 106 233.886 268.063 253.932 1.00 0.00 C +ATOM 107 CA SER A 107 231.641 271.138 253.781 1.00 0.00 C +ATOM 108 CA PRO A 108 232.625 273.604 251.049 1.00 0.00 C +ATOM 109 CA ALA A 109 231.032 277.039 250.627 1.00 0.00 C +ATOM 110 CA GLU A 110 230.975 278.902 253.950 1.00 0.00 C +ATOM 111 CA PRO A 111 232.018 276.504 256.721 1.00 0.00 C +ATOM 112 CA ARG A 112 235.478 277.567 257.909 1.00 0.00 C +ATOM 113 CA GLU A 113 238.893 278.233 256.356 1.00 0.00 C +ATOM 114 CA SER A 114 239.064 276.944 252.775 1.00 0.00 C +ATOM 115 CA ARG A 115 240.284 277.952 249.309 1.00 0.00 C +ATOM 116 CA GLY A 116 240.223 280.008 246.103 1.00 0.00 C +ATOM 117 CA GLN A 117 238.392 283.285 245.449 1.00 0.00 C +ATOM 118 CA PRO A 118 237.407 284.817 242.102 1.00 0.00 C +ATOM 119 CA PRO A 119 234.935 286.737 239.930 1.00 0.00 C +ATOM 120 CA SER A 120 231.742 286.410 237.877 1.00 0.00 C +ATOM 121 CA THR A 121 228.495 286.344 239.869 1.00 0.00 C +ATOM 122 CA GLY A 122 229.453 286.117 243.550 1.00 0.00 C +ATOM 123 CA HIS A 123 229.973 289.470 245.282 1.00 0.00 C +ATOM 124 CA GLN A 124 229.060 290.978 248.660 1.00 0.00 C +ATOM 125 CA PRO A 125 226.904 291.888 251.667 1.00 0.00 C +ATOM 126 CA PRO A 126 226.373 290.018 254.943 1.00 0.00 C +ATOM 127 CA PRO A 127 225.208 288.573 258.271 1.00 0.00 C +ATOM 128 CA PRO A 128 221.787 288.417 259.941 1.00 0.00 C +ATOM 129 CA SER A 129 220.395 284.937 259.256 1.00 0.00 C +ATOM 130 CA PRO A 130 218.548 282.678 256.807 1.00 0.00 C +ATOM 131 CA PRO A 131 215.159 283.317 255.186 1.00 0.00 C +ATOM 132 CA ARG A 132 213.606 280.343 253.379 1.00 0.00 C +ATOM 133 CA ALA A 133 216.200 278.782 251.065 1.00 0.00 C +ATOM 134 CA PRO A 134 217.657 281.258 248.564 1.00 0.00 C +ATOM 135 CA PRO A 135 219.404 284.324 247.126 1.00 0.00 C +ATOM 136 CA ALA A 136 222.752 285.730 248.279 1.00 0.00 C +ATOM 137 CA GLY A 137 224.474 284.700 251.518 1.00 0.00 C +ATOM 138 CA PRO A 138 227.926 284.407 253.103 1.00 0.00 C +ATOM 139 CA ALA A 139 230.643 283.872 250.486 1.00 0.00 C +ATOM 140 CA PRO A 140 233.797 285.528 251.838 1.00 0.00 C +ATOM 141 CA PRO A 141 237.034 283.540 251.547 1.00 0.00 C +ATOM 142 CA GLU A 142 240.841 283.606 251.436 1.00 0.00 C +ATOM 143 CA ARG A 143 244.477 283.417 250.313 1.00 0.00 C +ATOM 144 CA PRO A 144 248.246 282.855 250.301 1.00 0.00 C +ATOM 145 CA GLY A 145 250.345 285.880 249.321 1.00 0.00 C +ATOM 146 CA LYS A 146 252.875 288.556 250.298 1.00 0.00 C +ATOM 147 CA LEU A 147 251.024 291.794 251.075 1.00 0.00 C +ATOM 148 CA LEU A 148 247.523 292.623 252.328 1.00 0.00 C +ATOM 149 CA LYS A 149 244.805 295.289 252.476 1.00 0.00 C +ATOM 150 CA LYS A 150 241.544 296.095 250.678 1.00 0.00 C +ATOM 151 CA GLU A 151 237.962 295.762 249.424 1.00 0.00 C +ATOM 152 CA ASP A 152 236.849 299.337 248.719 1.00 0.00 C +ATOM 153 CA LYS A 153 234.763 302.363 247.713 1.00 0.00 C +ATOM 154 CA LEU A 154 233.185 302.638 244.256 1.00 0.00 C +ATOM 155 CA LYS A 155 230.298 303.672 241.995 1.00 0.00 C +ATOM 156 CA GLU A 156 226.892 303.219 243.641 1.00 0.00 C +ATOM 157 CA PRO A 157 223.672 303.872 241.712 1.00 0.00 C +ATOM 158 CA GLN A 158 221.498 305.004 238.796 1.00 0.00 C +ATOM 159 CA GLU A 159 223.655 305.659 235.724 1.00 0.00 C +ATOM 160 CA VAL A 160 222.951 309.246 234.649 1.00 0.00 C +ATOM 161 CA PRO A 161 221.115 312.206 236.192 1.00 0.00 C +ATOM 162 CA GLU A 162 218.181 313.410 238.302 1.00 0.00 C +ATOM 163 CA THR A 163 214.679 312.112 237.551 1.00 0.00 C +ATOM 164 CA HIS A 164 214.119 312.156 233.782 1.00 0.00 C +ATOM 165 CA GLN A 165 214.764 312.549 230.048 1.00 0.00 C +ATOM 166 CA ILE A 166 215.501 314.911 227.151 1.00 0.00 C +ATOM 167 CA LEU A 167 216.959 316.048 223.819 1.00 0.00 C +TER 168 LEU A 167 +END diff --git a/Mammals/Q3V265/Q3V265.dcd b/Mammals/Q3V265/Q3V265.dcd new file mode 100644 index 0000000000000000000000000000000000000000..10ad6f3fb4d9198bc9f3eaeb5718be10862fc401 --- /dev/null +++ b/Mammals/Q3V265/Q3V265.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:669d82f7ae8a513252d7708db880fb76d1a5e0a4a2cee00b25c0bf0c2484f364 +size 14480276 diff --git a/Mammals/Q3V265/top.pdb b/Mammals/Q3V265/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f8b5c5e27d0ade8e1cdeb96d2e350ba62ebfacb3 --- /dev/null +++ b/Mammals/Q3V265/top.pdb @@ -0,0 +1,118 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 242.752 265.047 263.233 1.00 0.00 C +ATOM 2 CA ALA A 2 244.089 261.780 264.667 1.00 0.00 C +ATOM 3 CA SER A 3 244.629 258.050 265.226 1.00 0.00 C +ATOM 4 CA GLY A 4 244.515 254.373 266.216 1.00 0.00 C +ATOM 5 CA LEU A 5 245.367 251.475 263.895 1.00 0.00 C +ATOM 6 CA GLY A 6 247.557 250.824 260.845 1.00 0.00 C +ATOM 7 CA SER A 7 247.238 248.279 258.029 1.00 0.00 C +ATOM 8 CA PRO A 8 250.798 247.064 257.423 1.00 0.00 C +ATOM 9 CA SER A 9 254.044 246.143 255.654 1.00 0.00 C +ATOM 10 CA PRO A 10 256.866 245.565 258.146 1.00 0.00 C +ATOM 11 CA CYS A 11 260.434 246.867 257.844 1.00 0.00 C +ATOM 12 CA SER A 12 260.945 248.074 254.267 1.00 0.00 C +ATOM 13 CA ALA A 13 262.955 247.062 251.192 1.00 0.00 C +ATOM 14 CA GLY A 14 263.467 250.103 248.955 1.00 0.00 C +ATOM 15 CA SER A 15 263.719 253.413 247.085 1.00 0.00 C +ATOM 16 CA GLU A 16 263.232 256.113 244.441 1.00 0.00 C +ATOM 17 CA GLU A 17 264.191 256.128 240.754 1.00 0.00 C +ATOM 18 CA GLU A 18 265.131 259.105 238.570 1.00 0.00 C +ATOM 19 CA ASP A 19 265.257 257.866 234.969 1.00 0.00 C +ATOM 20 CA MET A 20 264.950 259.063 231.365 1.00 0.00 C +ATOM 21 CA ASP A 21 261.435 260.477 230.964 1.00 0.00 C +ATOM 22 CA ALA A 22 258.256 262.507 231.504 1.00 0.00 C +ATOM 23 CA LEU A 23 256.778 262.970 234.985 1.00 0.00 C +ATOM 24 CA LEU A 24 256.852 261.414 238.462 1.00 0.00 C +ATOM 25 CA ASN A 25 257.662 258.069 240.096 1.00 0.00 C +ATOM 26 CA ASN A 26 255.979 254.951 238.697 1.00 0.00 C +ATOM 27 CA SER A 27 255.040 252.430 235.998 1.00 0.00 C +ATOM 28 CA LEU A 28 253.807 250.719 232.825 1.00 0.00 C +ATOM 29 CA PRO A 29 255.806 250.175 229.628 1.00 0.00 C +ATOM 30 CA PRO A 30 258.335 252.737 228.382 1.00 0.00 C +ATOM 31 CA PRO A 31 261.698 254.524 228.248 1.00 0.00 C +ATOM 32 CA HIS A 32 261.294 257.310 225.681 1.00 0.00 C +ATOM 33 CA PRO A 33 261.912 260.131 223.196 1.00 0.00 C +ATOM 34 CA GLU A 34 258.801 260.734 221.080 1.00 0.00 C +ATOM 35 CA ASN A 35 255.580 260.417 219.070 1.00 0.00 C +ATOM 36 CA GLU A 36 253.069 262.060 216.722 1.00 0.00 C +ATOM 37 CA GLU A 37 251.671 262.875 213.273 1.00 0.00 C +ATOM 38 CA ASP A 38 247.903 262.387 213.551 1.00 0.00 C +ATOM 39 CA PRO A 39 245.877 262.007 216.755 1.00 0.00 C +ATOM 40 CA ASP A 40 245.119 258.967 218.924 1.00 0.00 C +ATOM 41 CA GLU A 41 245.463 255.705 220.861 1.00 0.00 C +ATOM 42 CA ASP A 42 242.997 254.406 223.459 1.00 0.00 C +ATOM 43 CA LEU A 43 244.144 254.629 227.086 1.00 0.00 C +ATOM 44 CA SER A 44 242.900 253.592 230.534 1.00 0.00 C +ATOM 45 CA GLU A 45 245.774 253.275 233.015 1.00 0.00 C +ATOM 46 CA ALA A 46 244.410 254.055 236.486 1.00 0.00 C +ATOM 47 CA GLU A 47 242.303 253.336 239.578 1.00 0.00 C +ATOM 48 CA THR A 48 240.629 249.935 239.197 1.00 0.00 C +ATOM 49 CA PRO A 49 241.926 246.927 241.142 1.00 0.00 C +ATOM 50 CA LYS A 50 240.074 243.893 239.769 1.00 0.00 C +ATOM 51 CA LEU A 51 238.099 243.225 236.581 1.00 0.00 C +ATOM 52 CA LYS A 52 239.162 240.041 234.779 1.00 0.00 C +ATOM 53 CA LYS A 53 237.047 238.638 231.937 1.00 0.00 C +ATOM 54 CA LYS A 54 234.970 235.866 233.525 1.00 0.00 C +ATOM 55 CA LYS A 55 234.023 232.305 234.495 1.00 0.00 C +ATOM 56 CA LYS A 56 233.838 229.962 231.497 1.00 0.00 C +ATOM 57 CA PRO A 57 236.254 231.228 228.837 1.00 0.00 C +ATOM 58 CA LYS A 58 239.256 233.509 228.285 1.00 0.00 C +ATOM 59 CA LYS A 59 241.753 232.168 225.739 1.00 0.00 C +ATOM 60 CA PRO A 60 244.260 234.631 224.267 1.00 0.00 C +ATOM 61 CA ARG A 61 247.047 233.709 221.838 1.00 0.00 C +ATOM 62 CA ASP A 62 248.564 230.351 220.871 1.00 0.00 C +ATOM 63 CA PRO A 63 249.298 226.928 222.375 1.00 0.00 C +ATOM 64 CA LYS A 64 252.276 224.575 222.040 1.00 0.00 C +ATOM 65 CA ILE A 65 254.772 224.244 224.900 1.00 0.00 C +ATOM 66 CA PRO A 66 253.801 226.255 227.987 1.00 0.00 C +ATOM 67 CA LYS A 67 254.318 228.489 231.030 1.00 0.00 C +ATOM 68 CA SER A 68 255.908 227.711 234.404 1.00 0.00 C +ATOM 69 CA LYS A 69 253.647 225.948 236.912 1.00 0.00 C +ATOM 70 CA ARG A 70 254.354 223.485 239.731 1.00 0.00 C +ATOM 71 CA GLN A 71 252.751 220.104 240.449 1.00 0.00 C +ATOM 72 CA LYS A 72 249.078 219.185 240.873 1.00 0.00 C +ATOM 73 CA LYS A 73 247.402 221.466 243.423 1.00 0.00 C +ATOM 74 CA GLU A 74 247.705 224.966 244.898 1.00 0.00 C +ATOM 75 CA LEU A 75 248.419 228.687 245.308 1.00 0.00 C +ATOM 76 CA GLY A 76 250.785 230.227 242.750 1.00 0.00 C +ATOM 77 CA ASP A 77 250.702 233.641 241.061 1.00 0.00 C +ATOM 78 CA SER A 78 251.596 236.191 243.747 1.00 0.00 C +ATOM 79 CA SER A 79 249.267 235.639 246.710 1.00 0.00 C +ATOM 80 CA GLY A 80 246.057 234.525 248.435 1.00 0.00 C +ATOM 81 CA GLU A 81 242.449 234.513 247.213 1.00 0.00 C +ATOM 82 CA GLY A 82 239.574 234.816 249.694 1.00 0.00 C +ATOM 83 CA PRO A 83 237.619 236.096 252.704 1.00 0.00 C +ATOM 84 CA GLU A 84 236.315 236.838 256.206 1.00 0.00 C +ATOM 85 CA PHE A 85 233.042 237.631 257.987 1.00 0.00 C +ATOM 86 CA VAL A 86 231.764 240.614 259.983 1.00 0.00 C +ATOM 87 CA GLU A 87 232.572 241.795 263.514 1.00 0.00 C +ATOM 88 CA GLU A 88 230.434 242.403 266.608 1.00 0.00 C +ATOM 89 CA GLU A 89 232.258 244.592 269.138 1.00 0.00 C +ATOM 90 CA GLU A 90 234.459 247.702 269.107 1.00 0.00 C +ATOM 91 CA GLU A 91 237.835 248.087 270.831 1.00 0.00 C +ATOM 92 CA VAL A 92 239.943 250.888 272.322 1.00 0.00 C +ATOM 93 CA ALA A 93 241.018 253.484 274.895 1.00 0.00 C +ATOM 94 CA LEU A 94 241.880 252.804 278.543 1.00 0.00 C +ATOM 95 CA ARG A 95 240.915 252.145 282.169 1.00 0.00 C +ATOM 96 CA SER A 96 241.540 255.293 284.222 1.00 0.00 C +ATOM 97 CA ASP A 97 242.591 258.477 286.031 1.00 0.00 C +ATOM 98 CA SER A 98 245.618 260.669 286.774 1.00 0.00 C +ATOM 99 CA GLU A 99 249.106 261.760 285.697 1.00 0.00 C +ATOM 100 CA GLY A 100 248.911 265.020 283.735 1.00 0.00 C +ATOM 101 CA SER A 101 251.967 267.039 284.787 1.00 0.00 C +ATOM 102 CA ASP A 102 255.200 267.515 286.746 1.00 0.00 C +ATOM 103 CA TYR A 103 256.040 266.684 290.368 1.00 0.00 C +ATOM 104 CA THR A 104 256.934 268.856 293.368 1.00 0.00 C +ATOM 105 CA PRO A 105 260.681 269.546 293.407 1.00 0.00 C +ATOM 106 CA GLY A 106 262.046 271.490 296.386 1.00 0.00 C +ATOM 107 CA LYS A 107 262.165 274.457 298.773 1.00 0.00 C +ATOM 108 CA LYS A 108 265.289 276.424 297.830 1.00 0.00 C +ATOM 109 CA LYS A 109 265.160 280.081 298.889 1.00 0.00 C +ATOM 110 CA LYS A 110 263.514 283.485 299.356 1.00 0.00 C +ATOM 111 CA LYS A 111 265.398 286.217 297.485 1.00 0.00 C +ATOM 112 CA LYS A 112 266.272 289.655 298.874 1.00 0.00 C +ATOM 113 CA LEU A 113 267.141 291.485 302.100 1.00 0.00 C +ATOM 114 CA GLY A 114 270.310 293.535 302.623 1.00 0.00 C +TER 115 GLY A 114 +END diff --git a/Mammals/Q3V2I8/Q3V2I8.dcd b/Mammals/Q3V2I8/Q3V2I8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..3571828f29abf67ce631c414e0fda3e8f3ea2d05 --- /dev/null +++ b/Mammals/Q3V2I8/Q3V2I8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e235f2e868268b4024b8e70aba376a5217a2a70618c83bd7743a6c925df7a10f +size 12920276 diff --git a/Mammals/Q3V2I8/top.pdb b/Mammals/Q3V2I8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3c5497884d98e39c31c89b969d09e554885f813b --- /dev/null +++ b/Mammals/Q3V2I8/top.pdb @@ -0,0 +1,105 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLY A 1 237.835 235.628 283.647 1.00 0.00 C +ATOM 2 CA PRO A 2 235.495 238.602 284.089 1.00 0.00 C +ATOM 3 CA GLY A 3 235.121 239.806 287.684 1.00 0.00 C +ATOM 4 CA ARG A 4 237.055 238.888 290.835 1.00 0.00 C +ATOM 5 CA PRO A 5 238.680 235.565 291.746 1.00 0.00 C +ATOM 6 CA SER A 6 238.979 234.062 295.235 1.00 0.00 C +ATOM 7 CA ALA A 7 236.089 234.837 297.593 1.00 0.00 C +ATOM 8 CA THR A 8 233.224 237.149 298.572 1.00 0.00 C +ATOM 9 CA HIS A 9 229.707 235.696 298.382 1.00 0.00 C +ATOM 10 CA ARG A 10 226.101 236.910 298.583 1.00 0.00 C +ATOM 11 CA PRO A 11 224.460 238.944 295.811 1.00 0.00 C +ATOM 12 CA SER A 12 225.459 240.658 292.558 1.00 0.00 C +ATOM 13 CA SER A 13 226.615 244.205 293.329 1.00 0.00 C +ATOM 14 CA SER A 14 229.918 245.550 291.988 1.00 0.00 C +ATOM 15 CA PRO A 15 230.136 246.195 288.240 1.00 0.00 C +ATOM 16 CA GLY A 16 232.288 247.093 285.226 1.00 0.00 C +ATOM 17 CA PRO A 17 232.377 250.004 282.770 1.00 0.00 C +ATOM 18 CA HIS A 18 235.045 252.688 283.213 1.00 0.00 C +ATOM 19 CA PRO A 19 238.527 251.975 281.840 1.00 0.00 C +ATOM 20 CA SER A 20 240.811 250.981 278.957 1.00 0.00 C +ATOM 21 CA GLU A 21 243.512 249.367 276.810 1.00 0.00 C +ATOM 22 CA ALA A 22 244.605 245.887 275.709 1.00 0.00 C +ATOM 23 CA ASP A 23 246.678 244.699 272.742 1.00 0.00 C +ATOM 24 CA GLY A 24 245.483 246.881 269.856 1.00 0.00 C +ATOM 25 CA ALA A 25 241.674 246.892 269.957 1.00 0.00 C +ATOM 26 CA PRO A 26 238.020 245.905 270.391 1.00 0.00 C +ATOM 27 CA ALA A 27 236.135 243.914 273.037 1.00 0.00 C +ATOM 28 CA PRO A 28 235.605 240.368 274.324 1.00 0.00 C +ATOM 29 CA GLY A 29 236.726 237.978 271.577 1.00 0.00 C +ATOM 30 CA PRO A 30 238.935 235.653 269.520 1.00 0.00 C +ATOM 31 CA THR A 31 241.175 232.573 269.409 1.00 0.00 C +ATOM 32 CA ASN A 32 244.508 232.485 271.254 1.00 0.00 C +ATOM 33 CA PRO A 33 246.582 235.638 271.778 1.00 0.00 C +ATOM 34 CA TRP A 34 249.514 237.518 270.235 1.00 0.00 C +ATOM 35 CA ARG A 35 252.524 238.424 268.082 1.00 0.00 C +ATOM 36 CA ARG A 36 255.144 235.709 268.610 1.00 0.00 C +ATOM 37 CA VAL A 37 258.788 236.323 267.682 1.00 0.00 C +ATOM 38 CA ALA A 38 262.523 235.630 267.380 1.00 0.00 C +ATOM 39 CA ASP A 39 263.630 232.045 266.719 1.00 0.00 C +ATOM 40 CA ALA A 40 263.686 228.270 266.212 1.00 0.00 C +ATOM 41 CA GLU A 41 266.075 227.351 263.390 1.00 0.00 C +ATOM 42 CA TRP A 42 267.329 229.865 260.817 1.00 0.00 C +ATOM 43 CA VAL A 43 269.534 228.619 257.970 1.00 0.00 C +ATOM 44 CA ARG A 44 271.247 230.626 255.222 1.00 0.00 C +ATOM 45 CA LYS A 45 269.187 231.082 252.050 1.00 0.00 C +ATOM 46 CA SER A 46 266.077 231.216 249.853 1.00 0.00 C +ATOM 47 CA ARG A 47 262.332 231.841 249.529 1.00 0.00 C +ATOM 48 CA ALA A 48 259.169 230.925 247.612 1.00 0.00 C +ATOM 49 CA GLU A 49 256.516 229.474 249.930 1.00 0.00 C +ATOM 50 CA THR A 50 255.150 232.426 251.914 1.00 0.00 C +ATOM 51 CA THR A 51 255.477 235.417 249.576 1.00 0.00 C +ATOM 52 CA ALA A 52 254.800 236.525 245.994 1.00 0.00 C +ATOM 53 CA ASP A 53 255.268 240.175 245.005 1.00 0.00 C +ATOM 54 CA PRO A 54 253.950 240.759 241.478 1.00 0.00 C +ATOM 55 CA GLY A 55 253.887 244.467 240.609 1.00 0.00 C +ATOM 56 CA LEU A 56 255.874 247.586 239.692 1.00 0.00 C +ATOM 57 CA SER A 57 259.051 249.016 241.233 1.00 0.00 C +ATOM 58 CA ALA A 58 260.196 248.020 244.728 1.00 0.00 C +ATOM 59 CA GLU A 59 257.345 246.600 246.820 1.00 0.00 C +ATOM 60 CA VAL A 60 254.080 246.408 248.774 1.00 0.00 C +ATOM 61 CA PHE A 61 250.842 248.410 248.909 1.00 0.00 C +ATOM 62 CA PRO A 62 250.353 249.605 245.325 1.00 0.00 C +ATOM 63 CA GLN A 63 252.256 251.652 242.735 1.00 0.00 C +ATOM 64 CA ASP A 64 250.906 254.571 240.693 1.00 0.00 C +ATOM 65 CA PRO A 65 250.760 258.138 242.023 1.00 0.00 C +ATOM 66 CA CYS A 66 252.559 258.646 245.343 1.00 0.00 C +ATOM 67 CA GLY A 67 255.990 260.304 245.349 1.00 0.00 C +ATOM 68 CA ALA A 68 258.874 258.855 243.325 1.00 0.00 C +ATOM 69 CA ASP A 69 260.038 259.702 239.797 1.00 0.00 C +ATOM 70 CA THR A 70 260.476 257.489 236.727 1.00 0.00 C +ATOM 71 CA SER A 71 257.548 255.057 236.899 1.00 0.00 C +ATOM 72 CA THR A 72 254.971 255.003 234.094 1.00 0.00 C +ATOM 73 CA LYS A 73 256.738 253.976 230.879 1.00 0.00 C +ATOM 74 CA MET A 74 259.887 255.170 229.097 1.00 0.00 C +ATOM 75 CA ALA A 75 260.672 253.549 225.739 1.00 0.00 C +ATOM 76 CA ALA A 76 262.472 254.066 222.422 1.00 0.00 C +ATOM 77 CA THR A 77 260.822 254.324 218.997 1.00 0.00 C +ATOM 78 CA PRO A 78 261.750 255.200 215.407 1.00 0.00 C +ATOM 79 CA LYS A 79 260.489 253.649 212.164 1.00 0.00 C +ATOM 80 CA PRO A 80 256.807 252.739 211.801 1.00 0.00 C +ATOM 81 CA ALA A 81 253.488 251.279 210.631 1.00 0.00 C +ATOM 82 CA ARG A 82 250.282 252.600 212.209 1.00 0.00 C +ATOM 83 CA LEU A 83 248.811 255.399 210.084 1.00 0.00 C +ATOM 84 CA GLN A 84 247.867 257.473 207.030 1.00 0.00 C +ATOM 85 CA LEU A 85 250.966 258.950 205.377 1.00 0.00 C +ATOM 86 CA ARG A 86 250.701 261.842 202.912 1.00 0.00 C +ATOM 87 CA GLY A 87 251.640 264.691 200.562 1.00 0.00 C +ATOM 88 CA ARG A 88 250.892 268.346 199.790 1.00 0.00 C +ATOM 89 CA GLY A 89 252.351 271.246 201.785 1.00 0.00 C +ATOM 90 CA SER A 90 254.044 272.922 204.758 1.00 0.00 C +ATOM 91 CA LEU A 91 253.560 275.320 207.679 1.00 0.00 C +ATOM 92 CA ASN A 92 254.844 278.426 209.473 1.00 0.00 C +ATOM 93 CA GLU A 93 252.715 280.389 211.949 1.00 0.00 C +ATOM 94 CA PRO A 94 254.181 283.810 212.764 1.00 0.00 C +ATOM 95 CA ILE A 95 253.346 286.329 210.030 1.00 0.00 C +ATOM 96 CA SER A 96 254.063 289.837 208.728 1.00 0.00 C +ATOM 97 CA ALA A 97 254.282 293.615 209.169 1.00 0.00 C +ATOM 98 CA ALA A 98 253.964 296.871 211.121 1.00 0.00 C +ATOM 99 CA ARG A 99 255.355 296.619 214.659 1.00 0.00 C +ATOM 100 CA THR A 100 254.142 298.018 217.989 1.00 0.00 C +ATOM 101 CA ALA A 101 251.381 299.918 219.801 1.00 0.00 C +TER 102 ALA A 101 +END diff --git a/Mammals/Q3V2L3/Q3V2L3.dcd b/Mammals/Q3V2L3/Q3V2L3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..3f857bad5aa8046b04fcb92ccc399f6953a71541 --- /dev/null +++ b/Mammals/Q3V2L3/Q3V2L3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6a03ce0e641d2a2fa7cced1eca58612a0b4d503ad3e9f5ff788a126eac3fd026 +size 17480276 diff --git a/Mammals/Q3V2L3/top.pdb b/Mammals/Q3V2L3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8d69adb4a7f421697fd664a5d688131a2a36100f --- /dev/null +++ b/Mammals/Q3V2L3/top.pdb @@ -0,0 +1,143 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA PHE A 1 210.854 241.345 207.130 1.00 0.00 C +ATOM 2 CA LEU A 2 210.262 244.971 208.140 1.00 0.00 C +ATOM 3 CA PRO A 3 211.928 247.817 206.233 1.00 0.00 C +ATOM 4 CA GLY A 4 215.347 248.609 204.748 1.00 0.00 C +ATOM 5 CA ALA A 5 216.885 247.868 201.342 1.00 0.00 C +ATOM 6 CA LEU A 6 218.674 250.380 199.105 1.00 0.00 C +ATOM 7 CA ALA A 7 220.597 253.634 199.585 1.00 0.00 C +ATOM 8 CA GLY A 8 223.848 255.479 200.321 1.00 0.00 C +ATOM 9 CA HIS A 9 225.229 253.741 203.417 1.00 0.00 C +ATOM 10 CA GLU A 10 229.032 253.931 203.273 1.00 0.00 C +ATOM 11 CA GLN A 11 231.550 252.398 205.686 1.00 0.00 C +ATOM 12 CA PRO A 12 235.172 253.559 205.460 1.00 0.00 C +ATOM 13 CA ALA A 13 235.745 256.371 207.967 1.00 0.00 C +ATOM 14 CA ALA A 14 237.012 257.248 211.451 1.00 0.00 C +ATOM 15 CA GLY A 15 236.207 256.731 215.139 1.00 0.00 C +ATOM 16 CA PRO A 16 237.363 253.801 217.283 1.00 0.00 C +ATOM 17 CA PRO A 17 241.053 254.347 218.058 1.00 0.00 C +ATOM 18 CA PRO A 18 244.453 255.370 219.440 1.00 0.00 C +ATOM 19 CA SER A 19 246.625 253.821 222.160 1.00 0.00 C +ATOM 20 CA PRO A 20 247.623 252.915 225.724 1.00 0.00 C +ATOM 21 CA PRO A 21 246.232 253.217 229.258 1.00 0.00 C +ATOM 22 CA ALA A 22 246.685 255.118 232.529 1.00 0.00 C +ATOM 23 CA PRO A 23 244.913 255.319 235.896 1.00 0.00 C +ATOM 24 CA PRO A 24 244.685 253.527 239.250 1.00 0.00 C +ATOM 25 CA ALA A 25 241.830 251.004 239.167 1.00 0.00 C +ATOM 26 CA ALA A 26 240.596 247.421 239.552 1.00 0.00 C +ATOM 27 CA LEU A 27 243.038 244.693 238.500 1.00 0.00 C +ATOM 28 CA PRO A 28 242.743 241.921 241.097 1.00 0.00 C +ATOM 29 CA THR A 29 245.899 241.646 243.214 1.00 0.00 C +ATOM 30 CA SER A 30 246.527 242.428 246.889 1.00 0.00 C +ATOM 31 CA ALA A 31 247.409 239.780 249.483 1.00 0.00 C +ATOM 32 CA ALA A 32 244.805 237.100 250.227 1.00 0.00 C +ATOM 33 CA ARG A 33 242.330 235.046 252.270 1.00 0.00 C +ATOM 34 CA ARG A 34 241.364 233.376 255.555 1.00 0.00 C +ATOM 35 CA ALA A 35 239.546 234.149 258.813 1.00 0.00 C +ATOM 36 CA ALA A 36 238.098 235.356 262.124 1.00 0.00 C +ATOM 37 CA PRO A 37 234.450 234.258 262.131 1.00 0.00 C +ATOM 38 CA LEU A 38 232.364 236.833 264.012 1.00 0.00 C +ATOM 39 CA PRO A 39 234.024 238.557 266.977 1.00 0.00 C +ATOM 40 CA ARG A 40 234.047 242.312 267.622 1.00 0.00 C +ATOM 41 CA LEU A 41 233.925 245.586 269.566 1.00 0.00 C +ATOM 42 CA SER A 42 237.315 247.187 270.249 1.00 0.00 C +ATOM 43 CA PRO A 43 240.570 246.400 272.066 1.00 0.00 C +ATOM 44 CA ALA A 44 241.168 247.457 275.677 1.00 0.00 C +ATOM 45 CA GLN A 45 243.231 246.475 278.726 1.00 0.00 C +ATOM 46 CA ARG A 46 243.697 244.010 281.594 1.00 0.00 C +ATOM 47 CA PRO A 47 246.731 241.707 281.668 1.00 0.00 C +ATOM 48 CA GLY A 48 246.319 238.228 283.166 1.00 0.00 C +ATOM 49 CA ALA A 49 247.104 235.800 285.995 1.00 0.00 C +ATOM 50 CA LEU A 50 244.180 234.647 288.149 1.00 0.00 C +ATOM 51 CA ALA A 51 243.326 236.631 291.287 1.00 0.00 C +ATOM 52 CA GLN A 52 240.009 237.554 292.918 1.00 0.00 C +ATOM 53 CA GLU A 53 237.895 240.378 291.479 1.00 0.00 C +ATOM 54 CA PRO A 54 234.112 240.782 291.267 1.00 0.00 C +ATOM 55 CA GLY A 55 232.662 237.377 290.363 1.00 0.00 C +ATOM 56 CA GLY A 56 230.591 238.045 287.236 1.00 0.00 C +ATOM 57 CA ASN A 57 226.994 237.703 286.026 1.00 0.00 C +ATOM 58 CA ALA A 58 223.552 236.106 285.683 1.00 0.00 C +ATOM 59 CA PRO A 59 224.250 232.638 284.268 1.00 0.00 C +ATOM 60 CA ARG A 60 225.691 229.113 284.376 1.00 0.00 C +ATOM 61 CA PRO A 61 229.434 229.357 283.707 1.00 0.00 C +ATOM 62 CA LEU A 62 232.839 231.040 283.999 1.00 0.00 C +ATOM 63 CA GLY A 63 232.766 234.112 281.746 1.00 0.00 C +ATOM 64 CA TRP A 64 234.802 234.726 278.585 1.00 0.00 C +ATOM 65 CA ARG A 65 238.423 235.710 277.923 1.00 0.00 C +ATOM 66 CA ARG A 66 242.045 235.560 276.754 1.00 0.00 C +ATOM 67 CA PRO A 67 244.838 238.143 276.961 1.00 0.00 C +ATOM 68 CA MET A 68 247.460 238.514 274.222 1.00 0.00 C +ATOM 69 CA SER A 69 245.618 239.778 271.135 1.00 0.00 C +ATOM 70 CA SER A 70 243.808 239.338 267.812 1.00 0.00 C +ATOM 71 CA ALA A 71 245.805 236.957 265.607 1.00 0.00 C +ATOM 72 CA ARG A 72 244.559 233.995 263.561 1.00 0.00 C +ATOM 73 CA GLY A 73 246.016 233.056 260.168 1.00 0.00 C +ATOM 74 CA GLU A 74 246.617 229.572 258.748 1.00 0.00 C +ATOM 75 CA ALA A 75 250.296 228.675 258.330 1.00 0.00 C +ATOM 76 CA GLY A 76 253.226 228.589 255.897 1.00 0.00 C +ATOM 77 CA PRO A 77 252.998 227.937 252.150 1.00 0.00 C +ATOM 78 CA SER A 78 255.954 228.807 249.909 1.00 0.00 C +ATOM 79 CA ASN A 79 258.299 231.712 249.149 1.00 0.00 C +ATOM 80 CA GLN A 80 259.808 234.523 247.067 1.00 0.00 C +ATOM 81 CA MET A 81 260.835 234.341 243.402 1.00 0.00 C +ATOM 82 CA SER A 82 263.339 232.791 240.984 1.00 0.00 C +ATOM 83 CA GLY A 83 266.817 232.057 239.614 1.00 0.00 C +ATOM 84 CA ARG A 84 267.288 230.203 236.319 1.00 0.00 C +ATOM 85 CA PRO A 85 269.053 226.860 236.793 1.00 0.00 C +ATOM 86 CA ALA A 86 269.418 224.922 240.053 1.00 0.00 C +ATOM 87 CA SER A 87 272.438 224.935 242.376 1.00 0.00 C +ATOM 88 CA ARG A 88 273.757 228.349 243.432 1.00 0.00 C +ATOM 89 CA PRO A 89 274.695 231.778 242.060 1.00 0.00 C +ATOM 90 CA ILE A 90 273.337 235.199 241.077 1.00 0.00 C +ATOM 91 CA GLY A 91 270.007 236.696 242.167 1.00 0.00 C +ATOM 92 CA SER A 92 267.602 238.901 240.199 1.00 0.00 C +ATOM 93 CA ASP A 93 265.927 242.322 240.085 1.00 0.00 C +ATOM 94 CA SER A 94 262.887 244.079 238.607 1.00 0.00 C +ATOM 95 CA GLY A 95 261.386 246.713 240.916 1.00 0.00 C +ATOM 96 CA TYR A 96 260.286 249.981 242.535 1.00 0.00 C +ATOM 97 CA THR A 97 258.600 251.967 239.755 1.00 0.00 C +ATOM 98 CA PRO A 98 257.583 255.636 239.609 1.00 0.00 C +ATOM 99 CA ALA A 99 257.324 259.107 238.060 1.00 0.00 C +ATOM 100 CA LEU A 100 256.229 258.803 234.423 1.00 0.00 C +ATOM 101 CA ILE A 101 253.687 257.195 232.085 1.00 0.00 C +ATOM 102 CA LEU A 102 253.042 258.762 228.673 1.00 0.00 C +ATOM 103 CA GLU A 103 249.585 259.068 227.103 1.00 0.00 C +ATOM 104 CA GLU A 104 248.655 262.151 225.067 1.00 0.00 C +ATOM 105 CA ARG A 105 248.970 265.690 226.443 1.00 0.00 C +ATOM 106 CA THR A 106 249.362 267.529 229.757 1.00 0.00 C +ATOM 107 CA ALA A 107 252.266 269.985 229.980 1.00 0.00 C +ATOM 108 CA GLN A 108 255.793 270.650 231.257 1.00 0.00 C +ATOM 109 CA SER A 109 257.884 267.465 231.313 1.00 0.00 C +ATOM 110 CA PRO A 110 260.477 264.910 232.435 1.00 0.00 C +ATOM 111 CA GLU A 111 263.928 265.520 233.930 1.00 0.00 C +ATOM 112 CA VAL A 112 264.070 268.833 235.806 1.00 0.00 C +ATOM 113 CA GLY A 113 266.506 269.407 238.679 1.00 0.00 C +ATOM 114 CA PRO A 114 266.420 269.979 242.444 1.00 0.00 C +ATOM 115 CA ASP A 115 268.951 267.522 243.884 1.00 0.00 C +ATOM 116 CA PRO A 116 272.607 266.451 243.923 1.00 0.00 C +ATOM 117 CA ALA A 117 276.313 266.061 244.719 1.00 0.00 C +ATOM 118 CA ALA A 118 277.676 264.545 247.938 1.00 0.00 C +ATOM 119 CA GLN A 119 276.617 266.072 251.264 1.00 0.00 C +ATOM 120 CA SER A 120 275.450 269.149 253.185 1.00 0.00 C +ATOM 121 CA LYS A 121 274.496 272.392 251.428 1.00 0.00 C +ATOM 122 CA SER A 122 273.501 275.392 249.301 1.00 0.00 C +ATOM 123 CA SER A 123 270.349 275.033 247.191 1.00 0.00 C +ATOM 124 CA ARG A 124 267.445 276.230 249.348 1.00 0.00 C +ATOM 125 CA ALA A 125 266.646 275.610 253.022 1.00 0.00 C +ATOM 126 CA GLY A 126 266.595 278.478 255.530 1.00 0.00 C +ATOM 127 CA GLN A 127 264.351 281.417 256.445 1.00 0.00 C +ATOM 128 CA ARG A 128 264.382 282.036 260.204 1.00 0.00 C +ATOM 129 CA ARG A 129 265.757 281.088 263.629 1.00 0.00 C +ATOM 130 CA GLU A 130 265.604 280.383 267.370 1.00 0.00 C +ATOM 131 CA GLY A 131 268.460 278.123 268.490 1.00 0.00 C +ATOM 132 CA VAL A 132 271.895 279.755 268.255 1.00 0.00 C +ATOM 133 CA GLY A 133 273.797 280.512 271.468 1.00 0.00 C +ATOM 134 CA LEU A 134 274.261 281.601 275.090 1.00 0.00 C +ATOM 135 CA GLY A 135 274.749 279.276 278.069 1.00 0.00 C +ATOM 136 CA ARG A 136 275.386 278.891 281.806 1.00 0.00 C +ATOM 137 CA SER A 137 278.163 278.434 284.375 1.00 0.00 C +ATOM 138 CA GLY A 138 276.474 277.392 287.628 1.00 0.00 C +ATOM 139 CA ALA A 139 274.647 274.049 287.588 1.00 0.00 C +TER 140 ALA A 139 +END diff --git a/Mammals/Q3V2Z2/Q3V2Z2.dcd b/Mammals/Q3V2Z2/Q3V2Z2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..49e4ae2a5b6d4ae5f1f32e9143690133a6f66530 --- /dev/null +++ b/Mammals/Q3V2Z2/Q3V2Z2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3bc6af136a6729e5f8214b3239d687a62e083148fe6dda498d3c47a19e905dcc +size 37200276 diff --git a/Mammals/Q3V2Z2/top.pdb b/Mammals/Q3V2Z2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..366ee0c39ccc3d335cd426d8f536f2429a4fa5d5 --- /dev/null +++ b/Mammals/Q3V2Z2/top.pdb @@ -0,0 +1,204 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 274.021 197.306 228.056 1.00 0.00 C +ATOM 2 CA SER A 2 272.432 199.186 225.148 1.00 0.00 C +ATOM 3 CA ASP A 3 269.795 201.928 225.352 1.00 0.00 C +ATOM 4 CA SER A 4 266.411 203.673 225.493 1.00 0.00 C +ATOM 5 CA GLY A 5 265.404 204.567 221.929 1.00 0.00 C +ATOM 6 CA SER A 6 264.837 208.140 220.733 1.00 0.00 C +ATOM 7 CA TYR A 7 266.933 210.547 218.653 1.00 0.00 C +ATOM 8 CA SER A 8 269.996 211.324 216.524 1.00 0.00 C +ATOM 9 CA GLN A 9 271.418 214.734 217.455 1.00 0.00 C +ATOM 10 CA SER A 10 273.782 217.703 217.788 1.00 0.00 C +ATOM 11 CA GLY A 11 276.816 219.235 219.509 1.00 0.00 C +ATOM 12 CA GLY A 12 279.180 222.177 218.982 1.00 0.00 C +ATOM 13 CA GLU A 13 282.356 224.279 219.085 1.00 0.00 C +ATOM 14 CA GLN A 14 283.470 227.546 217.472 1.00 0.00 C +ATOM 15 CA GLN A 15 286.451 228.224 215.198 1.00 0.00 C +ATOM 16 CA SER A 16 288.691 230.503 217.273 1.00 0.00 C +ATOM 17 CA TYR A 17 289.077 232.651 220.396 1.00 0.00 C +ATOM 18 CA SER A 18 290.061 230.458 223.352 1.00 0.00 C +ATOM 19 CA SER A 19 292.087 231.653 226.349 1.00 0.00 C +ATOM 20 CA TYR A 20 294.067 233.684 228.893 1.00 0.00 C +ATOM 21 CA GLY A 21 297.097 231.845 230.291 1.00 0.00 C +ATOM 22 CA ASN A 22 299.154 230.796 227.261 1.00 0.00 C +ATOM 23 CA GLN A 23 301.508 227.907 228.057 1.00 0.00 C +ATOM 24 CA GLY A 24 301.742 225.912 224.819 1.00 0.00 C +ATOM 25 CA SER A 25 302.843 226.265 221.189 1.00 0.00 C +ATOM 26 CA GLN A 26 304.043 227.398 217.755 1.00 0.00 C +ATOM 27 CA GLY A 27 302.402 230.590 216.476 1.00 0.00 C +ATOM 28 CA TYR A 28 300.675 232.333 213.561 1.00 0.00 C +ATOM 29 CA GLY A 29 300.788 231.685 209.809 1.00 0.00 C +ATOM 30 CA GLN A 30 298.492 231.616 206.769 1.00 0.00 C +ATOM 31 CA THR A 31 300.514 233.152 203.928 1.00 0.00 C +ATOM 32 CA PRO A 32 302.500 235.706 201.916 1.00 0.00 C +ATOM 33 CA GLN A 33 303.308 238.045 199.019 1.00 0.00 C +ATOM 34 CA GLY A 34 303.592 237.639 195.241 1.00 0.00 C +ATOM 35 CA TYR A 35 304.449 240.673 193.102 1.00 0.00 C +ATOM 36 CA SER A 36 301.521 240.942 190.679 1.00 0.00 C +ATOM 37 CA GLY A 37 300.870 242.026 187.085 1.00 0.00 C +ATOM 38 CA TYR A 38 300.266 245.775 186.771 1.00 0.00 C +ATOM 39 CA GLY A 39 300.115 249.082 188.656 1.00 0.00 C +ATOM 40 CA GLN A 40 297.552 251.086 190.639 1.00 0.00 C +ATOM 41 CA THR A 41 293.899 251.351 191.689 1.00 0.00 C +ATOM 42 CA THR A 42 290.488 252.145 190.189 1.00 0.00 C +ATOM 43 CA ASP A 43 287.058 253.801 190.310 1.00 0.00 C +ATOM 44 CA SER A 44 283.357 254.070 191.170 1.00 0.00 C +ATOM 45 CA SER A 45 282.344 251.722 193.994 1.00 0.00 C +ATOM 46 CA TYR A 46 284.032 250.736 197.265 1.00 0.00 C +ATOM 47 CA GLY A 47 282.702 251.852 200.656 1.00 0.00 C +ATOM 48 CA GLN A 48 284.773 250.264 203.432 1.00 0.00 C +ATOM 49 CA ASN A 49 284.425 248.199 206.615 1.00 0.00 C +ATOM 50 CA TYR A 50 281.392 248.638 208.880 1.00 0.00 C +ATOM 51 CA GLY A 51 279.387 248.984 212.100 1.00 0.00 C +ATOM 52 CA GLY A 52 276.023 249.644 213.765 1.00 0.00 C +ATOM 53 CA TYR A 53 272.323 250.380 214.297 1.00 0.00 C +ATOM 54 CA SER A 54 272.098 251.526 217.924 1.00 0.00 C +ATOM 55 CA GLY A 55 272.879 248.601 220.237 1.00 0.00 C +ATOM 56 CA TYR A 56 271.554 246.071 222.758 1.00 0.00 C +ATOM 57 CA GLY A 57 273.904 246.150 225.755 1.00 0.00 C +ATOM 58 CA GLN A 58 277.370 244.678 226.334 1.00 0.00 C +ATOM 59 CA ASN A 59 277.282 241.138 227.739 1.00 0.00 C +ATOM 60 CA GLN A 60 276.817 237.457 228.604 1.00 0.00 C +ATOM 61 CA SER A 61 278.706 234.336 229.705 1.00 0.00 C +ATOM 62 CA GLY A 62 282.204 234.461 231.208 1.00 0.00 C +ATOM 63 CA TYR A 63 285.772 234.058 229.934 1.00 0.00 C +ATOM 64 CA SER A 64 287.051 237.311 228.418 1.00 0.00 C +ATOM 65 CA GLN A 65 288.719 240.700 228.918 1.00 0.00 C +ATOM 66 CA SER A 66 290.828 243.328 230.695 1.00 0.00 C +ATOM 67 CA TYR A 67 290.103 246.297 232.970 1.00 0.00 C +ATOM 68 CA GLY A 68 287.393 245.263 235.440 1.00 0.00 C +ATOM 69 CA SER A 69 284.179 246.603 236.986 1.00 0.00 C +ATOM 70 CA TYR A 70 281.099 248.650 237.903 1.00 0.00 C +ATOM 71 CA GLU A 71 278.720 251.430 238.964 1.00 0.00 C +ATOM 72 CA ASN A 72 277.251 254.784 240.018 1.00 0.00 C +ATOM 73 CA GLN A 73 275.005 256.425 237.414 1.00 0.00 C +ATOM 74 CA LYS A 74 274.604 260.207 237.191 1.00 0.00 C +ATOM 75 CA GLN A 75 274.545 263.390 239.284 1.00 0.00 C +ATOM 76 CA SER A 76 274.696 267.184 239.603 1.00 0.00 C +ATOM 77 CA SER A 77 274.383 270.495 241.461 1.00 0.00 C +ATOM 78 CA TYR A 78 271.559 272.235 243.334 1.00 0.00 C +ATOM 79 CA GLY A 79 269.724 270.430 246.143 1.00 0.00 C +ATOM 80 CA GLN A 80 266.049 269.952 247.029 1.00 0.00 C +ATOM 81 CA GLN A 81 262.977 270.338 249.249 1.00 0.00 C +ATOM 82 CA SER A 82 260.917 271.374 252.282 1.00 0.00 C +ATOM 83 CA TYR A 83 259.670 273.133 255.423 1.00 0.00 C +ATOM 84 CA ASN A 84 256.325 274.108 256.965 1.00 0.00 C +ATOM 85 CA ASN A 85 253.236 272.734 258.721 1.00 0.00 C +ATOM 86 CA GLN A 86 251.293 273.613 261.878 1.00 0.00 C +ATOM 87 CA GLY A 87 247.492 273.364 261.963 1.00 0.00 C +ATOM 88 CA GLN A 88 243.695 273.169 262.200 1.00 0.00 C +ATOM 89 CA GLN A 89 241.803 269.927 261.548 1.00 0.00 C +ATOM 90 CA ASN A 90 238.103 270.831 261.471 1.00 0.00 C +ATOM 91 CA THR A 91 234.837 270.686 263.428 1.00 0.00 C +ATOM 92 CA GLU A 92 231.979 268.312 262.585 1.00 0.00 C +ATOM 93 CA SER A 93 231.679 265.972 259.593 1.00 0.00 C +ATOM 94 CA SER A 94 233.760 263.681 257.371 1.00 0.00 C +ATOM 95 CA GLY A 95 234.193 261.565 254.232 1.00 0.00 C +ATOM 96 CA GLY A 96 231.805 261.873 251.280 1.00 0.00 C +ATOM 97 CA GLN A 97 231.207 263.657 247.967 1.00 0.00 C +ATOM 98 CA GLY A 98 232.650 265.853 245.209 1.00 0.00 C +ATOM 99 CA GLY A 99 236.458 265.880 245.336 1.00 0.00 C +ATOM 100 CA ARG A 100 239.251 266.997 242.998 1.00 0.00 C +ATOM 101 CA ALA A 101 243.040 267.394 242.966 1.00 0.00 C +ATOM 102 CA PRO A 102 244.658 264.254 241.537 1.00 0.00 C +ATOM 103 CA SER A 103 247.813 262.211 240.915 1.00 0.00 C +ATOM 104 CA TYR A 104 249.316 261.604 244.363 1.00 0.00 C +ATOM 105 CA GLY A 105 250.732 259.232 246.987 1.00 0.00 C +ATOM 106 CA GLN A 106 250.357 260.647 250.505 1.00 0.00 C +ATOM 107 CA SER A 107 250.841 259.116 253.960 1.00 0.00 C +ATOM 108 CA ASP A 108 248.312 257.904 256.539 1.00 0.00 C +ATOM 109 CA TYR A 109 247.968 260.231 259.536 1.00 0.00 C +ATOM 110 CA GLY A 110 245.325 261.964 261.664 1.00 0.00 C +ATOM 111 CA GLN A 111 241.792 263.360 261.379 1.00 0.00 C +ATOM 112 CA GLN A 112 238.997 262.538 263.835 1.00 0.00 C +ATOM 113 CA ASP A 113 240.114 261.669 267.373 1.00 0.00 C +ATOM 114 CA SER A 114 241.701 259.288 269.889 1.00 0.00 C +ATOM 115 CA TYR A 115 244.923 258.831 271.869 1.00 0.00 C +ATOM 116 CA ASP A 116 244.490 256.009 274.392 1.00 0.00 C +ATOM 117 CA GLN A 117 247.023 253.794 276.179 1.00 0.00 C +ATOM 118 CA GLN A 118 247.346 253.058 279.903 1.00 0.00 C +ATOM 119 CA SER A 119 244.000 251.505 280.858 1.00 0.00 C +ATOM 120 CA GLY A 120 241.460 249.167 279.246 1.00 0.00 C +ATOM 121 CA TYR A 121 242.336 246.770 276.417 1.00 0.00 C +ATOM 122 CA ASP A 122 241.346 245.559 272.943 1.00 0.00 C +ATOM 123 CA GLN A 123 237.603 244.993 272.511 1.00 0.00 C +ATOM 124 CA HIS A 124 236.430 245.350 268.904 1.00 0.00 C +ATOM 125 CA GLN A 125 238.672 243.635 266.345 1.00 0.00 C +ATOM 126 CA GLY A 126 239.206 240.610 264.090 1.00 0.00 C +ATOM 127 CA SER A 127 238.597 241.101 260.361 1.00 0.00 C +ATOM 128 CA TYR A 128 238.269 244.817 259.584 1.00 0.00 C +ATOM 129 CA ASP A 129 237.433 248.265 260.971 1.00 0.00 C +ATOM 130 CA GLU A 130 237.128 251.441 263.054 1.00 0.00 C +ATOM 131 CA GLN A 131 240.474 253.077 263.855 1.00 0.00 C +ATOM 132 CA SER A 132 242.201 256.451 264.240 1.00 0.00 C +ATOM 133 CA ASN A 133 245.873 255.729 263.523 1.00 0.00 C +ATOM 134 CA TYR A 134 246.873 252.576 261.634 1.00 0.00 C +ATOM 135 CA GLN A 135 249.337 251.231 259.057 1.00 0.00 C +ATOM 136 CA GLN A 136 250.508 248.131 257.177 1.00 0.00 C +ATOM 137 CA HIS A 137 250.147 245.078 259.427 1.00 0.00 C +ATOM 138 CA ASP A 138 248.162 241.828 259.327 1.00 0.00 C +ATOM 139 CA SER A 139 244.444 241.817 258.492 1.00 0.00 C +ATOM 140 CA TYR A 140 242.849 242.817 255.180 1.00 0.00 C +ATOM 141 CA ASN A 141 239.207 242.331 254.171 1.00 0.00 C +ATOM 142 CA GLN A 142 236.140 244.330 253.117 1.00 0.00 C +ATOM 143 CA ASN A 143 232.453 243.428 253.445 1.00 0.00 C +ATOM 144 CA GLN A 144 228.848 244.007 254.534 1.00 0.00 C +ATOM 145 CA GLN A 145 225.653 244.959 252.689 1.00 0.00 C +ATOM 146 CA SER A 146 223.893 244.000 249.449 1.00 0.00 C +ATOM 147 CA TYR A 147 222.025 240.778 248.648 1.00 0.00 C +ATOM 148 CA HIS A 148 218.236 240.805 248.247 1.00 0.00 C +ATOM 149 CA SER A 149 215.825 242.950 250.272 1.00 0.00 C +ATOM 150 CA GLN A 150 215.043 246.447 251.567 1.00 0.00 C +ATOM 151 CA ARG A 151 213.223 246.254 254.909 1.00 0.00 C +ATOM 152 CA GLU A 152 209.582 247.274 255.378 1.00 0.00 C +ATOM 153 CA ASN A 153 206.419 248.490 253.637 1.00 0.00 C +ATOM 154 CA TYR A 154 203.587 245.956 253.365 1.00 0.00 C +ATOM 155 CA SER A 155 203.354 242.819 255.515 1.00 0.00 C +ATOM 156 CA PRO A 156 204.339 243.617 259.108 1.00 0.00 C +ATOM 157 CA HIS A 157 203.060 243.951 262.681 1.00 0.00 C +ATOM 158 CA THR A 158 199.257 244.083 262.878 1.00 0.00 C +ATOM 159 CA GLN A 159 196.266 244.633 265.173 1.00 0.00 C +ATOM 160 CA ASP A 160 194.974 244.473 268.754 1.00 0.00 C +ATOM 161 CA ASP A 161 196.676 243.515 272.025 1.00 0.00 C +ATOM 162 CA ARG A 162 198.342 243.049 275.420 1.00 0.00 C +ATOM 163 CA ARG A 163 195.573 241.981 277.810 1.00 0.00 C +ATOM 164 CA ASP A 164 193.605 241.945 281.072 1.00 0.00 C +ATOM 165 CA VAL A 165 190.448 243.369 282.661 1.00 0.00 C +ATOM 166 CA SER A 166 188.327 244.080 285.745 1.00 0.00 C +ATOM 167 CA ARG A 167 187.935 247.838 286.232 1.00 0.00 C +ATOM 168 CA TYR A 168 189.209 249.371 289.479 1.00 0.00 C +ATOM 169 CA GLY A 169 188.099 250.141 293.042 1.00 0.00 C +ATOM 170 CA GLU A 170 185.639 253.050 293.102 1.00 0.00 C +ATOM 171 CA ASP A 171 184.312 256.145 291.321 1.00 0.00 C +ATOM 172 CA ASN A 172 184.749 258.863 288.687 1.00 0.00 C +ATOM 173 CA ARG A 173 188.092 258.377 286.925 1.00 0.00 C +ATOM 174 CA GLY A 174 191.044 256.001 286.528 1.00 0.00 C +ATOM 175 CA TYR A 175 194.401 255.835 288.322 1.00 0.00 C +ATOM 176 CA GLY A 176 196.485 256.897 291.329 1.00 0.00 C +ATOM 177 CA GLY A 177 197.986 260.398 291.280 1.00 0.00 C +ATOM 178 CA SER A 178 199.568 261.052 294.684 1.00 0.00 C +ATOM 179 CA GLN A 179 202.363 260.593 297.231 1.00 0.00 C +ATOM 180 CA GLY A 180 205.791 261.440 295.799 1.00 0.00 C +ATOM 181 CA GLY A 181 208.172 263.901 297.469 1.00 0.00 C +ATOM 182 CA GLY A 182 210.732 265.458 295.115 1.00 0.00 C +ATOM 183 CA ARG A 183 214.390 265.368 296.176 1.00 0.00 C +ATOM 184 CA GLY A 184 217.898 266.677 296.882 1.00 0.00 C +ATOM 185 CA ARG A 185 219.203 265.565 300.285 1.00 0.00 C +ATOM 186 CA GLY A 186 216.178 265.775 302.592 1.00 0.00 C +ATOM 187 CA GLY A 187 214.619 265.176 306.017 1.00 0.00 C +ATOM 188 CA TYR A 188 214.761 268.263 308.246 1.00 0.00 C +ATOM 189 CA ASP A 189 215.079 271.883 309.389 1.00 0.00 C +ATOM 190 CA LYS A 190 218.100 274.163 309.827 1.00 0.00 C +ATOM 191 CA ASP A 191 221.536 275.114 311.172 1.00 0.00 C +ATOM 192 CA GLY A 192 223.816 276.554 308.481 1.00 0.00 C +ATOM 193 CA ARG A 193 227.252 277.673 307.274 1.00 0.00 C +ATOM 194 CA GLY A 194 230.938 277.864 306.328 1.00 0.00 C +ATOM 195 CA PRO A 195 232.026 276.994 302.782 1.00 0.00 C +ATOM 196 CA MET A 196 234.381 278.736 300.347 1.00 0.00 C +ATOM 197 CA THR A 197 236.545 281.814 300.950 1.00 0.00 C +ATOM 198 CA GLY A 198 235.534 285.137 302.517 1.00 0.00 C +ATOM 199 CA SER A 199 234.581 288.812 302.839 1.00 0.00 C +ATOM 200 CA ARG A 200 235.395 292.490 303.408 1.00 0.00 C +TER 201 ARG A 200 +END diff --git a/Mammals/Q3V380/Q3V380.dcd b/Mammals/Q3V380/Q3V380.dcd new file mode 100644 index 0000000000000000000000000000000000000000..0c620aa81b7363bc547cb2bac8e08b9a86413ac4 --- /dev/null +++ b/Mammals/Q3V380/Q3V380.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e7a54553b355f3b6a2f075b449c4fcb153467ad9475e9a1a047aeeb359209e8c +size 14000276 diff --git a/Mammals/Q3V380/top.pdb b/Mammals/Q3V380/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..46b2db0306ae275ad3f3272eb01e31664f9de4a4 --- /dev/null +++ b/Mammals/Q3V380/top.pdb @@ -0,0 +1,114 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 284.782 252.200 259.662 1.00 0.00 C +ATOM 2 CA ASN A 2 283.870 250.745 256.260 1.00 0.00 C +ATOM 3 CA ALA A 3 281.803 251.797 253.238 1.00 0.00 C +ATOM 4 CA GLY A 4 279.627 253.597 250.681 1.00 0.00 C +ATOM 5 CA ARG A 5 275.932 254.521 250.587 1.00 0.00 C +ATOM 6 CA ARG A 6 273.120 255.045 248.070 1.00 0.00 C +ATOM 7 CA ARG A 7 273.163 256.558 244.573 1.00 0.00 C +ATOM 8 CA GLY A 8 270.649 255.692 241.845 1.00 0.00 C +ATOM 9 CA THR A 9 267.763 257.960 240.826 1.00 0.00 C +ATOM 10 CA GLY A 10 265.229 255.670 239.137 1.00 0.00 C +ATOM 11 CA SER A 11 265.389 253.125 236.306 1.00 0.00 C +ATOM 12 CA GLY A 12 267.538 253.243 233.162 1.00 0.00 C +ATOM 13 CA PRO A 13 267.846 253.575 229.379 1.00 0.00 C +ATOM 14 CA THR A 14 265.434 254.384 226.544 1.00 0.00 C +ATOM 15 CA GLY A 15 262.276 252.669 225.278 1.00 0.00 C +ATOM 16 CA THR A 16 260.081 250.333 227.337 1.00 0.00 C +ATOM 17 CA GLU A 17 257.903 251.292 230.313 1.00 0.00 C +ATOM 18 CA ARG A 18 259.689 249.738 233.298 1.00 0.00 C +ATOM 19 CA ARG A 19 257.323 247.553 235.333 1.00 0.00 C +ATOM 20 CA ARG A 20 258.466 244.458 237.238 1.00 0.00 C +ATOM 21 CA LEU A 21 260.624 241.590 238.516 1.00 0.00 C +ATOM 22 CA THR A 22 264.203 242.841 238.887 1.00 0.00 C +ATOM 23 CA VAL A 23 267.874 241.836 238.706 1.00 0.00 C +ATOM 24 CA VAL A 24 269.259 238.789 240.526 1.00 0.00 C +ATOM 25 CA PRO A 25 268.429 236.877 243.716 1.00 0.00 C +ATOM 26 CA THR A 26 270.167 233.526 244.232 1.00 0.00 C +ATOM 27 CA GLY A 27 268.043 230.374 244.494 1.00 0.00 C +ATOM 28 CA ARG A 28 267.583 228.351 247.691 1.00 0.00 C +ATOM 29 CA VAL A 29 267.077 224.951 249.332 1.00 0.00 C +ATOM 30 CA PRO A 30 266.193 221.893 251.427 1.00 0.00 C +ATOM 31 CA ALA A 31 268.067 219.512 253.736 1.00 0.00 C +ATOM 32 CA PRO A 32 266.227 218.517 256.920 1.00 0.00 C +ATOM 33 CA ARG A 33 265.393 219.182 260.578 1.00 0.00 C +ATOM 34 CA ALA A 34 264.757 222.570 262.199 1.00 0.00 C +ATOM 35 CA GLY A 35 264.387 223.525 265.869 1.00 0.00 C +ATOM 36 CA PRO A 36 260.891 224.309 267.165 1.00 0.00 C +ATOM 37 CA GLU A 37 257.634 226.272 266.927 1.00 0.00 C +ATOM 38 CA LEU A 38 254.309 228.129 267.016 1.00 0.00 C +ATOM 39 CA GLY A 39 253.388 231.825 267.079 1.00 0.00 C +ATOM 40 CA SER A 40 253.138 232.901 263.433 1.00 0.00 C +ATOM 41 CA ALA A 41 256.681 232.542 262.079 1.00 0.00 C +ATOM 42 CA PRO A 42 258.336 229.190 261.343 1.00 0.00 C +ATOM 43 CA SER A 43 260.602 227.168 259.042 1.00 0.00 C +ATOM 44 CA ALA A 44 261.400 226.686 255.348 1.00 0.00 C +ATOM 45 CA VAL A 45 262.759 229.926 253.873 1.00 0.00 C +ATOM 46 CA SER A 46 261.255 233.294 252.920 1.00 0.00 C +ATOM 47 CA PRO A 47 258.462 235.858 252.538 1.00 0.00 C +ATOM 48 CA GLY A 48 257.390 238.220 249.747 1.00 0.00 C +ATOM 49 CA LEU A 49 258.523 240.865 247.250 1.00 0.00 C +ATOM 50 CA ARG A 50 259.386 244.216 248.843 1.00 0.00 C +ATOM 51 CA SER A 51 256.622 246.380 250.325 1.00 0.00 C +ATOM 52 CA GLY A 52 252.925 246.602 249.433 1.00 0.00 C +ATOM 53 CA VAL A 53 250.864 246.812 252.631 1.00 0.00 C +ATOM 54 CA VAL A 54 247.955 248.379 254.528 1.00 0.00 C +ATOM 55 CA ARG A 55 248.322 250.067 257.924 1.00 0.00 C +ATOM 56 CA PHE A 56 247.728 253.748 258.710 1.00 0.00 C +ATOM 57 CA ARG A 57 244.951 255.289 256.604 1.00 0.00 C +ATOM 58 CA ASP A 58 241.434 254.385 257.756 1.00 0.00 C +ATOM 59 CA PRO A 59 237.820 254.783 258.894 1.00 0.00 C +ATOM 60 CA SER A 60 235.029 257.168 259.914 1.00 0.00 C +ATOM 61 CA ARG A 61 232.542 259.456 261.674 1.00 0.00 C +ATOM 62 CA TRP A 62 231.336 263.068 261.785 1.00 0.00 C +ATOM 63 CA ALA A 63 228.578 263.397 264.393 1.00 0.00 C +ATOM 64 CA GLY A 64 227.167 262.873 267.892 1.00 0.00 C +ATOM 65 CA THR A 65 229.944 263.808 270.327 1.00 0.00 C +ATOM 66 CA GLY A 66 233.750 263.806 270.151 1.00 0.00 C +ATOM 67 CA SER A 67 234.791 260.935 267.873 1.00 0.00 C +ATOM 68 CA PRO A 68 238.221 261.960 266.568 1.00 0.00 C +ATOM 69 CA ARG A 69 240.214 264.051 264.083 1.00 0.00 C +ATOM 70 CA VAL A 70 241.679 264.382 260.582 1.00 0.00 C +ATOM 71 CA VAL A 71 243.946 266.276 258.176 1.00 0.00 C +ATOM 72 CA ASP A 72 246.857 266.116 255.723 1.00 0.00 C +ATOM 73 CA GLY A 73 250.094 264.758 254.241 1.00 0.00 C +ATOM 74 CA VAL A 74 250.157 261.138 253.057 1.00 0.00 C +ATOM 75 CA SER A 75 251.124 258.653 255.779 1.00 0.00 C +ATOM 76 CA GLU A 76 254.762 257.523 255.753 1.00 0.00 C +ATOM 77 CA ASN A 77 255.910 257.980 252.149 1.00 0.00 C +ATOM 78 CA THR A 78 255.383 254.666 250.344 1.00 0.00 C +ATOM 79 CA LEU A 79 255.780 253.694 246.681 1.00 0.00 C +ATOM 80 CA PRO A 80 255.881 256.655 244.285 1.00 0.00 C +ATOM 81 CA GLY A 81 252.932 258.989 243.676 1.00 0.00 C +ATOM 82 CA GLY A 82 250.146 260.900 245.438 1.00 0.00 C +ATOM 83 CA ARG A 83 249.982 264.699 245.204 1.00 0.00 C +ATOM 84 CA ALA A 84 246.602 266.445 245.411 1.00 0.00 C +ATOM 85 CA LEU A 85 244.209 268.244 243.054 1.00 0.00 C +ATOM 86 CA GLY A 86 240.956 269.708 244.391 1.00 0.00 C +ATOM 87 CA VAL A 87 239.241 273.101 244.641 1.00 0.00 C +ATOM 88 CA GLU A 88 235.439 272.865 244.707 1.00 0.00 C +ATOM 89 CA GLY A 89 232.586 273.696 247.093 1.00 0.00 C +ATOM 90 CA GLY A 90 230.669 271.659 249.680 1.00 0.00 C +ATOM 91 CA GLY A 91 230.621 269.543 252.848 1.00 0.00 C +ATOM 92 CA PRO A 92 233.747 267.889 254.265 1.00 0.00 C +ATOM 93 CA GLN A 93 237.249 267.305 252.883 1.00 0.00 C +ATOM 94 CA ASN A 94 236.849 266.836 249.123 1.00 0.00 C +ATOM 95 CA GLY A 95 233.538 266.623 247.251 1.00 0.00 C +ATOM 96 CA GLU A 96 230.037 266.397 245.765 1.00 0.00 C +ATOM 97 CA TYR A 97 226.824 264.765 244.529 1.00 0.00 C +ATOM 98 CA ARG A 98 223.403 263.853 245.936 1.00 0.00 C +ATOM 99 CA ASP A 99 220.979 261.037 245.094 1.00 0.00 C +ATOM 100 CA LEU A 100 221.711 257.410 244.187 1.00 0.00 C +ATOM 101 CA ALA A 101 219.238 254.562 244.729 1.00 0.00 C +ATOM 102 CA ASP A 102 219.170 250.843 243.905 1.00 0.00 C +ATOM 103 CA TRP A 103 221.072 248.950 246.609 1.00 0.00 C +ATOM 104 CA ILE A 104 223.933 246.435 246.686 1.00 0.00 C +ATOM 105 CA GLY A 105 224.000 242.825 245.471 1.00 0.00 C +ATOM 106 CA ASN A 106 223.878 240.804 242.244 1.00 0.00 C +ATOM 107 CA ARG A 107 222.939 238.824 239.127 1.00 0.00 C +ATOM 108 CA PRO A 108 219.498 239.232 237.541 1.00 0.00 C +ATOM 109 CA LYS A 109 218.995 241.697 234.680 1.00 0.00 C +ATOM 110 CA ARG A 110 217.474 245.165 235.099 1.00 0.00 C +TER 111 ARG A 110 +END diff --git a/Mammals/Q3V3S9/Q3V3S9.dcd b/Mammals/Q3V3S9/Q3V3S9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..91b0cf8ad996d2513b2904f73253024e6da68886 --- /dev/null +++ b/Mammals/Q3V3S9/Q3V3S9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f44e878fbc831f812eb0787a840dec82d2e5a3ebc5a5d789c967b9d3a6f57480 +size 5360276 diff --git a/Mammals/Q3V3S9/top.pdb b/Mammals/Q3V3S9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..178e46e1b953b910ed371976fa0aeb35e7ffe869 --- /dev/null +++ b/Mammals/Q3V3S9/top.pdb @@ -0,0 +1,42 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ASP A 1 226.625 270.484 226.691 1.00 0.00 C +ATOM 2 CA HIS A 2 225.836 266.791 226.179 1.00 0.00 C +ATOM 3 CA ARG A 3 228.907 264.543 226.354 1.00 0.00 C +ATOM 4 CA VAL A 4 232.021 262.356 226.165 1.00 0.00 C +ATOM 5 CA ARG A 5 235.038 263.759 228.021 1.00 0.00 C +ATOM 6 CA THR A 6 238.268 261.877 228.757 1.00 0.00 C +ATOM 7 CA SER A 7 241.244 263.471 230.523 1.00 0.00 C +ATOM 8 CA VAL A 8 241.545 262.642 234.229 1.00 0.00 C +ATOM 9 CA SER A 9 240.485 265.204 236.842 1.00 0.00 C +ATOM 10 CA ASP A 10 242.184 264.920 240.240 1.00 0.00 C +ATOM 11 CA PHE A 11 244.647 265.071 243.144 1.00 0.00 C +ATOM 12 CA SER A 12 247.149 262.222 243.517 1.00 0.00 C +ATOM 13 CA GLY A 13 250.507 263.948 244.034 1.00 0.00 C +ATOM 14 CA TYR A 14 254.005 264.103 242.533 1.00 0.00 C +ATOM 15 CA THR A 15 254.545 261.422 239.880 1.00 0.00 C +ATOM 16 CA ASN A 16 254.235 257.626 239.979 1.00 0.00 C +ATOM 17 CA MET A 17 251.160 256.130 238.300 1.00 0.00 C +ATOM 18 CA MET A 18 248.869 254.287 240.724 1.00 0.00 C +ATOM 19 CA SER A 19 249.146 252.803 244.222 1.00 0.00 C +ATOM 20 CA ASP A 20 251.561 252.029 247.066 1.00 0.00 C +ATOM 21 CA VAL A 21 253.332 249.922 249.700 1.00 0.00 C +ATOM 22 CA SER A 22 255.242 247.354 251.767 1.00 0.00 C +ATOM 23 CA GLU A 23 256.276 247.933 255.387 1.00 0.00 C +ATOM 24 CA PRO A 24 255.333 249.235 258.842 1.00 0.00 C +ATOM 25 CA CYS A 25 255.281 247.405 262.183 1.00 0.00 C +ATOM 26 CA SER A 26 258.731 246.260 263.325 1.00 0.00 C +ATOM 27 CA THR A 27 261.708 243.970 263.963 1.00 0.00 C +ATOM 28 CA ARG A 28 264.401 241.312 263.515 1.00 0.00 C +ATOM 29 CA VAL A 29 263.994 238.035 265.414 1.00 0.00 C +ATOM 30 CA LYS A 30 261.828 236.226 267.975 1.00 0.00 C +ATOM 31 CA THR A 31 261.737 235.675 271.744 1.00 0.00 C +ATOM 32 CA PRO A 32 259.819 232.431 272.308 1.00 0.00 C +ATOM 33 CA THR A 33 256.128 232.803 271.437 1.00 0.00 C +ATOM 34 CA SER A 34 253.902 229.913 270.339 1.00 0.00 C +ATOM 35 CA GLN A 35 253.677 226.162 270.966 1.00 0.00 C +ATOM 36 CA SER A 36 254.459 222.469 271.481 1.00 0.00 C +ATOM 37 CA TYR A 37 256.907 219.640 272.204 1.00 0.00 C +ATOM 38 CA ARG A 38 259.269 217.565 270.051 1.00 0.00 C +TER 39 ARG A 38 +END diff --git a/Mammals/Q3V441/Q3V441.dcd b/Mammals/Q3V441/Q3V441.dcd new file mode 100644 index 0000000000000000000000000000000000000000..274ae5dc48d20632df766cbf751155de516dc10f --- /dev/null +++ b/Mammals/Q3V441/Q3V441.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:94d7f65ecffc15c766794d81043660895f401c1b27ff5c172f8ed888862a4c7b +size 11000276 diff --git a/Mammals/Q3V441/top.pdb b/Mammals/Q3V441/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ccae562253808caa28fe9e9f8b33e3e5374754d7 --- /dev/null +++ b/Mammals/Q3V441/top.pdb @@ -0,0 +1,89 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 290.574 247.389 258.809 1.00 0.00 C +ATOM 2 CA ALA A 2 289.281 249.966 256.319 1.00 0.00 C +ATOM 3 CA ASP A 3 285.820 250.935 255.054 1.00 0.00 C +ATOM 4 CA THR A 4 282.866 250.031 252.824 1.00 0.00 C +ATOM 5 CA TYR A 5 283.346 247.185 250.337 1.00 0.00 C +ATOM 6 CA ALA A 6 285.333 247.477 247.099 1.00 0.00 C +ATOM 7 CA VAL A 7 285.437 246.411 243.442 1.00 0.00 C +ATOM 8 CA VAL A 8 285.877 243.597 240.912 1.00 0.00 C +ATOM 9 CA GLN A 9 283.991 242.086 237.967 1.00 0.00 C +ATOM 10 CA LYS A 10 280.728 243.981 237.439 1.00 0.00 C +ATOM 11 CA ARG A 11 280.330 247.769 237.527 1.00 0.00 C +ATOM 12 CA GLY A 12 278.499 248.866 234.372 1.00 0.00 C +ATOM 13 CA ALA A 13 277.531 252.473 233.614 1.00 0.00 C +ATOM 14 CA SER A 14 275.297 255.194 235.070 1.00 0.00 C +ATOM 15 CA ALA A 15 274.726 258.924 234.541 1.00 0.00 C +ATOM 16 CA GLY A 16 273.452 260.929 237.519 1.00 0.00 C +ATOM 17 CA THR A 17 271.755 258.990 240.325 1.00 0.00 C +ATOM 18 CA GLY A 18 268.091 260.026 240.189 1.00 0.00 C +ATOM 19 CA PRO A 19 264.785 258.856 241.679 1.00 0.00 C +ATOM 20 CA GLY A 20 262.730 256.492 239.511 1.00 0.00 C +ATOM 21 CA PRO A 21 264.987 253.510 238.781 1.00 0.00 C +ATOM 22 CA ARG A 22 264.149 249.830 238.262 1.00 0.00 C +ATOM 23 CA ALA A 23 261.056 247.889 237.175 1.00 0.00 C +ATOM 24 CA PRO A 24 260.640 244.147 237.760 1.00 0.00 C +ATOM 25 CA THR A 25 259.109 243.873 241.238 1.00 0.00 C +ATOM 26 CA SER A 26 257.576 247.140 242.459 1.00 0.00 C +ATOM 27 CA THR A 27 254.310 248.576 243.796 1.00 0.00 C +ATOM 28 CA ASP A 28 252.030 248.038 246.801 1.00 0.00 C +ATOM 29 CA THR A 29 249.334 245.362 246.494 1.00 0.00 C +ATOM 30 CA PRO A 30 246.010 247.194 246.825 1.00 0.00 C +ATOM 31 CA ILE A 31 243.107 248.758 248.734 1.00 0.00 C +ATOM 32 CA TYR A 32 240.739 250.209 251.341 1.00 0.00 C +ATOM 33 CA SER A 33 237.971 252.824 251.470 1.00 0.00 C +ATOM 34 CA GLN A 34 235.716 255.729 250.471 1.00 0.00 C +ATOM 35 CA VAL A 35 232.227 257.083 249.762 1.00 0.00 C +ATOM 36 CA ALA A 36 229.053 256.692 247.691 1.00 0.00 C +ATOM 37 CA PRO A 37 227.822 259.711 245.719 1.00 0.00 C +ATOM 38 CA ARG A 38 228.088 263.487 245.284 1.00 0.00 C +ATOM 39 CA ALA A 39 227.426 267.163 244.532 1.00 0.00 C +ATOM 40 CA GLN A 40 228.423 270.807 244.043 1.00 0.00 C +ATOM 41 CA ARG A 41 230.049 273.204 246.519 1.00 0.00 C +ATOM 42 CA PRO A 42 230.953 275.507 249.416 1.00 0.00 C +ATOM 43 CA VAL A 43 228.513 275.259 252.332 1.00 0.00 C +ATOM 44 CA ALA A 44 226.207 273.189 254.549 1.00 0.00 C +ATOM 45 CA HIS A 45 222.688 272.055 255.470 1.00 0.00 C +ATOM 46 CA THR A 46 222.753 270.861 259.087 1.00 0.00 C +ATOM 47 CA GLU A 47 223.708 270.954 262.774 1.00 0.00 C +ATOM 48 CA ASP A 48 227.442 270.199 262.846 1.00 0.00 C +ATOM 49 CA ALA A 49 229.730 269.346 259.921 1.00 0.00 C +ATOM 50 CA GLN A 50 231.441 267.494 257.065 1.00 0.00 C +ATOM 51 CA GLY A 51 229.671 265.166 254.623 1.00 0.00 C +ATOM 52 CA THR A 52 230.865 261.704 253.571 1.00 0.00 C +ATOM 53 CA THR A 53 228.751 259.225 255.545 1.00 0.00 C +ATOM 54 CA ALA A 54 225.835 257.326 253.994 1.00 0.00 C +ATOM 55 CA LEU A 55 223.856 254.915 256.183 1.00 0.00 C +ATOM 56 CA ARG A 56 225.579 254.022 259.462 1.00 0.00 C +ATOM 57 CA ARG A 57 228.461 252.439 261.386 1.00 0.00 C +ATOM 58 CA VAL A 58 230.227 249.718 259.386 1.00 0.00 C +ATOM 59 CA PRO A 59 231.365 246.790 257.230 1.00 0.00 C +ATOM 60 CA ALA A 60 232.870 243.478 256.101 1.00 0.00 C +ATOM 61 CA ASP A 61 232.952 241.829 252.667 1.00 0.00 C +ATOM 62 CA GLN A 62 230.060 243.438 250.779 1.00 0.00 C +ATOM 63 CA ASN A 63 228.280 242.435 247.564 1.00 0.00 C +ATOM 64 CA SER A 64 226.851 242.307 244.034 1.00 0.00 C +ATOM 65 CA SER A 65 227.730 238.990 242.378 1.00 0.00 C +ATOM 66 CA GLY A 66 231.003 237.279 241.440 1.00 0.00 C +ATOM 67 CA PRO A 67 233.271 237.545 244.490 1.00 0.00 C +ATOM 68 CA ASP A 68 234.396 237.663 248.128 1.00 0.00 C +ATOM 69 CA ALA A 69 236.699 234.864 249.304 1.00 0.00 C +ATOM 70 CA TYR A 70 239.156 236.303 251.836 1.00 0.00 C +ATOM 71 CA GLU A 71 242.716 237.589 251.403 1.00 0.00 C +ATOM 72 CA GLU A 72 244.613 238.113 254.665 1.00 0.00 C +ATOM 73 CA VAL A 73 246.401 239.337 257.798 1.00 0.00 C +ATOM 74 CA THR A 74 248.819 236.703 259.115 1.00 0.00 C +ATOM 75 CA ASP A 75 252.088 236.866 261.064 1.00 0.00 C +ATOM 76 CA GLY A 76 253.457 237.941 264.453 1.00 0.00 C +ATOM 77 CA ALA A 77 257.005 236.706 265.089 1.00 0.00 C +ATOM 78 CA GLN A 78 258.876 236.691 261.771 1.00 0.00 C +ATOM 79 CA THR A 79 262.635 236.127 262.034 1.00 0.00 C +ATOM 80 CA GLY A 80 264.435 232.886 261.156 1.00 0.00 C +ATOM 81 CA GLY A 81 267.996 231.930 260.196 1.00 0.00 C +ATOM 82 CA LEU A 82 271.788 232.295 260.266 1.00 0.00 C +ATOM 83 CA ASP A 83 273.120 228.805 259.516 1.00 0.00 C +ATOM 84 CA GLY A 84 271.749 225.291 258.979 1.00 0.00 C +ATOM 85 CA MET A 85 272.719 221.615 259.229 1.00 0.00 C +TER 86 MET A 85 +END diff --git a/Mammals/Q3V496/Q3V496.dcd b/Mammals/Q3V496/Q3V496.dcd new file mode 100644 index 0000000000000000000000000000000000000000..95e22f18cbdfa6297faca4aa1c53e75c6cf47bd3 --- /dev/null +++ b/Mammals/Q3V496/Q3V496.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:66ddd576960a22873a7ad962bf3931e5075dac85c5c9eee7943c47eeb6e8eac9 +size 4880276 diff --git a/Mammals/Q3V496/top.pdb b/Mammals/Q3V496/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..cd245974e1a1404d9ad28b03532073eefff16cfd --- /dev/null +++ b/Mammals/Q3V496/top.pdb @@ -0,0 +1,38 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA SER A 1 253.523 256.266 282.465 1.00 0.00 C +ATOM 2 CA PRO A 2 255.693 258.972 280.889 1.00 0.00 C +ATOM 3 CA HIS A 3 258.802 261.125 280.430 1.00 0.00 C +ATOM 4 CA TRP A 4 258.817 263.150 277.203 1.00 0.00 C +ATOM 5 CA VAL A 5 258.249 260.905 274.178 1.00 0.00 C +ATOM 6 CA GLU A 6 256.874 262.568 271.038 1.00 0.00 C +ATOM 7 CA LEU A 7 256.064 263.047 267.346 1.00 0.00 C +ATOM 8 CA GLY A 8 256.090 261.487 263.870 1.00 0.00 C +ATOM 9 CA GLU A 9 253.401 258.787 263.859 1.00 0.00 C +ATOM 10 CA ASP A 10 250.760 258.581 261.120 1.00 0.00 C +ATOM 11 CA ASP A 11 249.258 260.391 258.122 1.00 0.00 C +ATOM 12 CA GLN A 12 248.215 257.601 255.747 1.00 0.00 C +ATOM 13 CA ALA A 13 245.932 255.672 253.384 1.00 0.00 C +ATOM 14 CA TYR A 14 244.765 256.991 250.005 1.00 0.00 C +ATOM 15 CA CYS A 15 245.133 254.869 246.862 1.00 0.00 C +ATOM 16 CA GLU A 16 244.424 252.455 244.000 1.00 0.00 C +ATOM 17 CA GLY A 17 243.321 248.895 243.210 1.00 0.00 C +ATOM 18 CA GLU A 18 243.399 245.662 245.225 1.00 0.00 C +ATOM 19 CA ARG A 19 243.880 241.884 245.322 1.00 0.00 C +ATOM 20 CA GLU A 20 246.828 240.127 243.667 1.00 0.00 C +ATOM 21 CA SER A 21 249.215 237.379 242.542 1.00 0.00 C +ATOM 22 CA SER A 22 249.162 235.485 239.237 1.00 0.00 C +ATOM 23 CA ALA A 23 246.083 233.525 238.143 1.00 0.00 C +ATOM 24 CA GLN A 24 243.779 233.264 235.120 1.00 0.00 C +ATOM 25 CA GLY A 25 245.389 234.583 231.928 1.00 0.00 C +ATOM 26 CA LYS A 26 246.796 238.071 231.323 1.00 0.00 C +ATOM 27 CA THR A 27 248.483 241.161 232.780 1.00 0.00 C +ATOM 28 CA PRO A 28 249.898 241.959 236.227 1.00 0.00 C +ATOM 29 CA ASP A 29 247.641 244.336 238.169 1.00 0.00 C +ATOM 30 CA PRO A 30 249.607 247.552 238.725 1.00 0.00 C +ATOM 31 CA LYS A 31 252.921 247.502 236.847 1.00 0.00 C +ATOM 32 CA ASP A 32 253.674 247.434 233.113 1.00 0.00 C +ATOM 33 CA LYS A 33 251.411 247.706 230.060 1.00 0.00 C +ATOM 34 CA CYS A 34 252.514 250.606 227.848 1.00 0.00 C +TER 35 CYS A 34 +END diff --git a/Mammals/Q3V555/Q3V555.dcd b/Mammals/Q3V555/Q3V555.dcd new file mode 100644 index 0000000000000000000000000000000000000000..091f5e3a1a2cc753b912108f14ad88c53e444e35 --- /dev/null +++ b/Mammals/Q3V555/Q3V555.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:618bcc4197c1dce05e6ec6850f888bc01118a4e8895b5659c8d711f172a0c022 +size 6920276 diff --git a/Mammals/Q3V555/top.pdb b/Mammals/Q3V555/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2b84441bffae3c1f00c566854d32715314633ded --- /dev/null +++ b/Mammals/Q3V555/top.pdb @@ -0,0 +1,55 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 266.037 255.719 244.618 1.00 0.00 C +ATOM 2 CA LYS A 2 267.106 256.881 248.085 1.00 0.00 C +ATOM 3 CA PRO A 3 264.879 259.879 248.836 1.00 0.00 C +ATOM 4 CA MET A 4 262.177 260.093 251.514 1.00 0.00 C +ATOM 5 CA LYS A 5 261.536 263.721 252.484 1.00 0.00 C +ATOM 6 CA LYS A 6 261.264 265.231 255.972 1.00 0.00 C +ATOM 7 CA ARG A 7 260.138 266.181 259.485 1.00 0.00 C +ATOM 8 CA LYS A 8 256.932 265.665 261.477 1.00 0.00 C +ATOM 9 CA HIS A 9 257.746 265.034 265.145 1.00 0.00 C +ATOM 10 CA LYS A 10 258.047 261.536 266.625 1.00 0.00 C +ATOM 11 CA GLU A 11 257.876 257.821 267.451 1.00 0.00 C +ATOM 12 CA TYR A 12 254.493 256.695 268.794 1.00 0.00 C +ATOM 13 CA GLN A 13 253.742 252.960 268.804 1.00 0.00 C +ATOM 14 CA SER A 14 253.623 249.159 268.578 1.00 0.00 C +ATOM 15 CA PRO A 15 255.920 247.216 266.241 1.00 0.00 C +ATOM 16 CA SER A 16 253.898 245.062 263.835 1.00 0.00 C +ATOM 17 CA GLU A 17 250.761 244.155 261.872 1.00 0.00 C +ATOM 18 CA GLU A 18 251.580 241.679 259.094 1.00 0.00 C +ATOM 19 CA SER A 19 254.994 242.707 257.751 1.00 0.00 C +ATOM 20 CA GLU A 20 254.555 244.387 254.360 1.00 0.00 C +ATOM 21 CA PRO A 21 257.160 246.859 253.087 1.00 0.00 C +ATOM 22 CA GLU A 22 256.596 249.697 250.608 1.00 0.00 C +ATOM 23 CA ALA A 23 256.860 251.518 247.272 1.00 0.00 C +ATOM 24 CA VAL A 24 253.886 251.333 244.897 1.00 0.00 C +ATOM 25 CA LYS A 25 253.089 248.119 243.012 1.00 0.00 C +ATOM 26 CA GLN A 26 249.837 246.223 242.428 1.00 0.00 C +ATOM 27 CA GLY A 27 246.294 244.944 243.002 1.00 0.00 C +ATOM 28 CA GLU A 28 243.237 243.076 241.704 1.00 0.00 C +ATOM 29 CA GLY A 29 243.591 241.740 238.153 1.00 0.00 C +ATOM 30 CA LYS A 30 243.559 242.839 234.505 1.00 0.00 C +ATOM 31 CA ASP A 31 244.759 240.081 232.165 1.00 0.00 C +ATOM 32 CA ALA A 32 245.522 236.352 232.002 1.00 0.00 C +ATOM 33 CA GLU A 33 248.611 235.055 233.815 1.00 0.00 C +ATOM 34 CA ARG A 34 247.292 233.842 237.178 1.00 0.00 C +ATOM 35 CA GLU A 35 248.530 235.195 240.517 1.00 0.00 C +ATOM 36 CA PRO A 36 251.327 237.702 241.158 1.00 0.00 C +ATOM 37 CA THR A 37 250.531 240.292 243.836 1.00 0.00 C +ATOM 38 CA PRO A 38 251.793 240.613 247.417 1.00 0.00 C +ATOM 39 CA SER A 39 249.206 241.136 250.164 1.00 0.00 C +ATOM 40 CA THR A 40 245.467 241.741 250.579 1.00 0.00 C +ATOM 41 CA PRO A 41 244.260 245.197 251.633 1.00 0.00 C +ATOM 42 CA GLU A 42 241.064 246.002 249.721 1.00 0.00 C +ATOM 43 CA ASN A 43 238.075 245.387 247.441 1.00 0.00 C +ATOM 44 CA GLU A 44 237.181 247.610 244.478 1.00 0.00 C +ATOM 45 CA GLU A 45 238.219 251.269 244.701 1.00 0.00 C +ATOM 46 CA TRP A 46 237.773 254.899 245.767 1.00 0.00 C +ATOM 47 CA SER A 47 234.706 256.999 244.931 1.00 0.00 C +ATOM 48 CA ARG A 48 234.555 259.489 242.051 1.00 0.00 C +ATOM 49 CA SER A 49 233.160 262.733 243.482 1.00 0.00 C +ATOM 50 CA GLN A 50 233.319 264.129 247.023 1.00 0.00 C +ATOM 51 CA LEU A 51 233.234 266.148 250.253 1.00 0.00 C +TER 52 LEU A 51 +END diff --git a/Mammals/Q3YAG8/Q3YAG8.dcd b/Mammals/Q3YAG8/Q3YAG8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..9d8036966076f89d4d3a4b65b37a6060de69bffa --- /dev/null +++ b/Mammals/Q3YAG8/Q3YAG8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:db410fba99692ff566429aeb7e63142e28c0e221f1796357898b4b01aba7e17d +size 9560276 diff --git a/Mammals/Q3YAG8/top.pdb b/Mammals/Q3YAG8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..10fa041b30cd39599580207163cd9f61eeaddebd --- /dev/null +++ b/Mammals/Q3YAG8/top.pdb @@ -0,0 +1,77 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA SER A 1 255.324 236.506 244.811 1.00 0.00 C +ATOM 2 CA LYS A 2 251.824 237.800 244.039 1.00 0.00 C +ATOM 3 CA ALA A 3 250.993 241.157 245.637 1.00 0.00 C +ATOM 4 CA GLY A 4 248.820 243.515 247.695 1.00 0.00 C +ATOM 5 CA SER A 5 245.323 242.020 247.935 1.00 0.00 C +ATOM 6 CA ARG A 6 242.096 241.462 249.881 1.00 0.00 C +ATOM 7 CA ALA A 7 239.113 241.067 252.218 1.00 0.00 C +ATOM 8 CA SER A 8 237.469 237.648 252.569 1.00 0.00 C +ATOM 9 CA SER A 9 234.593 237.122 255.011 1.00 0.00 C +ATOM 10 CA ARG A 10 232.309 239.459 256.970 1.00 0.00 C +ATOM 11 CA ARG A 11 231.587 240.678 260.507 1.00 0.00 C +ATOM 12 CA GLY A 12 229.744 242.464 263.323 1.00 0.00 C +ATOM 13 CA SER A 13 229.407 246.126 264.321 1.00 0.00 C +ATOM 14 CA ASP A 14 227.694 247.088 267.585 1.00 0.00 C +ATOM 15 CA ALA A 15 224.523 246.723 269.666 1.00 0.00 C +ATOM 16 CA SER A 16 220.786 246.550 270.386 1.00 0.00 C +ATOM 17 CA ASP A 17 219.315 249.957 271.251 1.00 0.00 C +ATOM 18 CA PHE A 18 220.621 252.885 269.192 1.00 0.00 C +ATOM 19 CA ASP A 19 224.145 254.145 269.908 1.00 0.00 C +ATOM 20 CA ILE A 20 226.714 252.063 271.800 1.00 0.00 C +ATOM 21 CA SER A 21 230.466 252.225 271.160 1.00 0.00 C +ATOM 22 CA GLU A 22 232.940 250.096 269.196 1.00 0.00 C +ATOM 23 CA ILE A 23 235.474 247.426 270.181 1.00 0.00 C +ATOM 24 CA GLN A 24 236.920 243.991 269.392 1.00 0.00 C +ATOM 25 CA SER A 25 240.127 242.712 267.780 1.00 0.00 C +ATOM 26 CA VAL A 26 240.172 239.855 265.261 1.00 0.00 C +ATOM 27 CA CYS A 27 240.270 240.941 261.610 1.00 0.00 C +ATOM 28 CA SER A 28 241.645 242.920 258.659 1.00 0.00 C +ATOM 29 CA ASP A 29 241.115 246.630 257.976 1.00 0.00 C +ATOM 30 CA VAL A 30 244.090 248.968 257.521 1.00 0.00 C +ATOM 31 CA GLU A 31 245.488 249.609 254.036 1.00 0.00 C +ATOM 32 CA THR A 32 246.569 250.534 250.501 1.00 0.00 C +ATOM 33 CA VAL A 33 249.547 252.073 248.691 1.00 0.00 C +ATOM 34 CA PRO A 34 251.731 249.424 247.040 1.00 0.00 C +ATOM 35 CA GLN A 35 254.092 246.676 248.218 1.00 0.00 C +ATOM 36 CA THR A 36 257.399 246.674 246.327 1.00 0.00 C +ATOM 37 CA HIS A 37 259.864 243.885 247.139 1.00 0.00 C +ATOM 38 CA ARG A 38 260.983 241.983 244.033 1.00 0.00 C +ATOM 39 CA PRO A 39 263.825 240.681 241.855 1.00 0.00 C +ATOM 40 CA THR A 40 267.041 242.698 242.184 1.00 0.00 C +ATOM 41 CA PRO A 41 270.551 241.555 243.127 1.00 0.00 C +ATOM 42 CA ARG A 42 273.770 243.419 243.952 1.00 0.00 C +ATOM 43 CA ALA A 43 274.556 246.748 242.273 1.00 0.00 C +ATOM 44 CA GLY A 44 274.309 249.641 239.806 1.00 0.00 C +ATOM 45 CA SER A 45 274.632 253.230 238.571 1.00 0.00 C +ATOM 46 CA ARG A 46 273.581 254.047 235.001 1.00 0.00 C +ATOM 47 CA PRO A 47 270.224 255.845 235.111 1.00 0.00 C +ATOM 48 CA SER A 48 267.668 253.083 235.706 1.00 0.00 C +ATOM 49 CA THR A 49 264.883 251.130 237.423 1.00 0.00 C +ATOM 50 CA ALA A 50 261.288 250.322 238.392 1.00 0.00 C +ATOM 51 CA LYS A 51 261.186 250.779 242.173 1.00 0.00 C +ATOM 52 CA PRO A 52 263.939 251.172 244.777 1.00 0.00 C +ATOM 53 CA SER A 53 266.751 252.937 242.907 1.00 0.00 C +ATOM 54 CA LYS A 54 269.656 254.442 244.859 1.00 0.00 C +ATOM 55 CA ILE A 55 268.220 257.617 246.400 1.00 0.00 C +ATOM 56 CA PRO A 56 267.224 261.010 244.980 1.00 0.00 C +ATOM 57 CA THR A 57 269.729 262.921 242.839 1.00 0.00 C +ATOM 58 CA PRO A 58 268.396 265.705 240.605 1.00 0.00 C +ATOM 59 CA GLN A 59 266.814 265.697 237.138 1.00 0.00 C +ATOM 60 CA ARG A 60 266.244 265.029 233.431 1.00 0.00 C +ATOM 61 CA LYS A 61 263.451 262.696 232.304 1.00 0.00 C +ATOM 62 CA SER A 62 262.171 260.260 234.940 1.00 0.00 C +ATOM 63 CA PRO A 63 259.995 257.139 235.149 1.00 0.00 C +ATOM 64 CA ALA A 64 256.849 258.263 236.981 1.00 0.00 C +ATOM 65 CA SER A 65 253.748 256.729 238.577 1.00 0.00 C +ATOM 66 CA LYS A 66 251.633 254.466 240.797 1.00 0.00 C +ATOM 67 CA LEU A 67 249.181 255.420 243.552 1.00 0.00 C +ATOM 68 CA ASP A 68 246.558 256.977 245.834 1.00 0.00 C +ATOM 69 CA LYS A 69 244.021 256.686 248.663 1.00 0.00 C +ATOM 70 CA SER A 70 240.860 258.085 250.265 1.00 0.00 C +ATOM 71 CA SER A 71 240.479 261.683 249.072 1.00 0.00 C +ATOM 72 CA LYS A 72 239.301 264.024 246.306 1.00 0.00 C +ATOM 73 CA ARG A 73 235.975 264.810 244.622 1.00 0.00 C +TER 74 ARG A 73 +END diff --git a/Mammals/Q3YAJ3/Q3YAJ3.dcd b/Mammals/Q3YAJ3/Q3YAJ3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..cffeb7685b63db2a739cfa39cbdb02ae36b483f5 --- /dev/null +++ b/Mammals/Q3YAJ3/Q3YAJ3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5db5d136282af5b1ff3b5e86f920a90bfc8a4bd68955ebc72ff1d293f8f6a966 +size 5960276 diff --git a/Mammals/Q3YAJ3/top.pdb b/Mammals/Q3YAJ3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..58587440fad8131045b4cbf82117637f1d64cbc7 --- /dev/null +++ b/Mammals/Q3YAJ3/top.pdb @@ -0,0 +1,47 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLU A 1 231.163 218.708 240.862 1.00 0.00 C +ATOM 2 CA CYS A 2 232.952 220.899 238.310 1.00 0.00 C +ATOM 3 CA PRO A 3 234.952 223.678 236.638 1.00 0.00 C +ATOM 4 CA PRO A 4 235.056 227.484 236.503 1.00 0.00 C +ATOM 5 CA THR A 5 235.998 228.850 239.933 1.00 0.00 C +ATOM 6 CA PHE A 6 234.600 231.523 242.261 1.00 0.00 C +ATOM 7 CA SER A 7 237.350 232.288 244.785 1.00 0.00 C +ATOM 8 CA ASP A 8 241.005 231.578 243.978 1.00 0.00 C +ATOM 9 CA LYS A 9 244.495 230.446 245.007 1.00 0.00 C +ATOM 10 CA ARG A 10 245.795 230.231 248.582 1.00 0.00 C +ATOM 11 CA GLU A 11 246.633 226.993 250.405 1.00 0.00 C +ATOM 12 CA GLN A 12 247.206 224.703 253.396 1.00 0.00 C +ATOM 13 CA THR A 13 250.741 224.804 254.812 1.00 0.00 C +ATOM 14 CA SER A 14 253.434 227.266 255.909 1.00 0.00 C +ATOM 15 CA GLU A 15 254.343 230.960 256.118 1.00 0.00 C +ATOM 16 CA SER A 16 255.337 233.660 253.621 1.00 0.00 C +ATOM 17 CA PRO A 17 255.696 235.282 250.192 1.00 0.00 C +ATOM 18 CA THR A 18 253.038 237.539 248.656 1.00 0.00 C +ATOM 19 CA GLU A 19 251.294 240.895 249.122 1.00 0.00 C +ATOM 20 CA ALA A 20 248.555 243.352 248.137 1.00 0.00 C +ATOM 21 CA THR A 21 246.142 244.139 245.295 1.00 0.00 C +ATOM 22 CA ASP A 22 243.113 245.898 246.794 1.00 0.00 C +ATOM 23 CA ILE A 23 240.255 248.361 246.263 1.00 0.00 C +ATOM 24 CA GLY A 24 241.122 250.922 243.578 1.00 0.00 C +ATOM 25 CA PHE A 25 244.015 253.376 243.229 1.00 0.00 C +ATOM 26 CA GLY A 26 245.021 255.584 246.167 1.00 0.00 C +ATOM 27 CA ASN A 27 248.603 256.827 246.544 1.00 0.00 C +ATOM 28 CA ARG A 28 250.182 258.436 249.616 1.00 0.00 C +ATOM 29 CA CYS A 29 252.878 261.093 250.048 1.00 0.00 C +ATOM 30 CA GLY A 30 256.240 261.245 248.261 1.00 0.00 C +ATOM 31 CA LYS A 31 257.538 264.819 248.018 1.00 0.00 C +ATOM 32 CA PRO A 32 260.073 267.562 248.772 1.00 0.00 C +ATOM 33 CA LYS A 33 258.892 269.954 251.492 1.00 0.00 C +ATOM 34 CA GLY A 34 259.550 269.685 255.235 1.00 0.00 C +ATOM 35 CA PRO A 35 259.650 270.941 258.830 1.00 0.00 C +ATOM 36 CA ARG A 36 260.385 274.504 259.962 1.00 0.00 C +ATOM 37 CA ASP A 37 260.400 277.734 261.982 1.00 0.00 C +ATOM 38 CA PRO A 38 260.030 281.404 262.937 1.00 0.00 C +ATOM 39 CA PRO A 39 260.190 284.816 261.250 1.00 0.00 C +ATOM 40 CA SER A 40 261.829 284.493 257.826 1.00 0.00 C +ATOM 41 CA GLU A 41 263.199 287.970 257.088 1.00 0.00 C +ATOM 42 CA TRP A 42 265.460 288.822 260.034 1.00 0.00 C +ATOM 43 CA THR A 43 265.592 290.275 263.554 1.00 0.00 C +TER 44 THR A 43 +END diff --git a/Mammals/Q3YAL5/Q3YAL5.dcd b/Mammals/Q3YAL5/Q3YAL5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a6e6a98a28dc05fa3b249fc3ace86dded162fc03 --- /dev/null +++ b/Mammals/Q3YAL5/Q3YAL5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3a2d62f48038493b5b0c2ba6e2295d6471aac79cee627c6cee8ec5f5a385ea8e +size 11360276 diff --git a/Mammals/Q3YAL5/top.pdb b/Mammals/Q3YAL5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e17425e23feeea325358bfa018fba0258c625efc --- /dev/null +++ b/Mammals/Q3YAL5/top.pdb @@ -0,0 +1,92 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LEU A 1 207.008 197.172 252.505 1.00 0.00 C +ATOM 2 CA PRO A 2 207.958 199.270 255.541 1.00 0.00 C +ATOM 3 CA LYS A 3 211.263 200.395 257.066 1.00 0.00 C +ATOM 4 CA ARG A 4 215.070 200.299 256.924 1.00 0.00 C +ATOM 5 CA SER A 5 216.171 202.202 253.813 1.00 0.00 C +ATOM 6 CA ASP A 6 213.866 204.409 251.731 1.00 0.00 C +ATOM 7 CA SER A 7 214.804 208.098 251.898 1.00 0.00 C +ATOM 8 CA GLU A 8 217.960 210.214 251.609 1.00 0.00 C +ATOM 9 CA PRO A 9 220.257 213.103 250.667 1.00 0.00 C +ATOM 10 CA LYS A 10 223.757 214.522 250.162 1.00 0.00 C +ATOM 11 CA ASP A 11 226.094 217.504 250.563 1.00 0.00 C +ATOM 12 CA GLU A 12 226.246 221.131 251.721 1.00 0.00 C +ATOM 13 CA LYS A 13 227.919 224.339 252.913 1.00 0.00 C +ATOM 14 CA PRO A 14 225.560 226.752 254.683 1.00 0.00 C +ATOM 15 CA LYS A 15 223.637 229.939 253.869 1.00 0.00 C +ATOM 16 CA ARG A 16 222.777 233.540 252.971 1.00 0.00 C +ATOM 17 CA PRO A 17 225.130 234.513 250.136 1.00 0.00 C +ATOM 18 CA GLU A 18 227.787 232.678 248.114 1.00 0.00 C +ATOM 19 CA ASP A 19 228.287 233.975 244.567 1.00 0.00 C +ATOM 20 CA GLU A 20 228.311 235.917 241.289 1.00 0.00 C +ATOM 21 CA SER A 21 226.690 239.334 241.749 1.00 0.00 C +ATOM 22 CA GLY A 22 228.675 241.799 243.872 1.00 0.00 C +ATOM 23 CA ARG A 23 231.100 244.519 242.761 1.00 0.00 C +ATOM 24 CA ASP A 24 233.339 246.820 240.710 1.00 0.00 C +ATOM 25 CA TYR A 25 233.147 250.470 241.785 1.00 0.00 C +ATOM 26 CA ARG A 26 230.469 253.180 241.841 1.00 0.00 C +ATOM 27 CA GLU A 27 231.987 256.478 242.994 1.00 0.00 C +ATOM 28 CA ARG A 28 234.584 259.266 243.008 1.00 0.00 C +ATOM 29 CA GLU A 29 236.580 259.753 246.217 1.00 0.00 C +ATOM 30 CA ARG A 30 240.337 260.310 245.912 1.00 0.00 C +ATOM 31 CA GLU A 31 242.026 259.939 242.517 1.00 0.00 C +ATOM 32 CA TYR A 32 241.759 258.335 239.071 1.00 0.00 C +ATOM 33 CA GLU A 33 239.987 257.176 235.904 1.00 0.00 C +ATOM 34 CA ARG A 34 236.236 257.845 235.950 1.00 0.00 C +ATOM 35 CA ASP A 35 232.861 258.892 234.526 1.00 0.00 C +ATOM 36 CA GLN A 36 232.983 262.509 233.336 1.00 0.00 C +ATOM 37 CA GLU A 37 234.149 264.645 230.404 1.00 0.00 C +ATOM 38 CA ARG A 38 235.388 268.247 230.460 1.00 0.00 C +ATOM 39 CA ILE A 39 238.594 268.600 232.488 1.00 0.00 C +ATOM 40 CA LEU A 40 241.880 267.632 234.156 1.00 0.00 C +ATOM 41 CA ARG A 41 241.860 267.852 237.959 1.00 0.00 C +ATOM 42 CA GLU A 42 244.777 267.476 240.381 1.00 0.00 C +ATOM 43 CA ARG A 43 247.791 266.051 238.536 1.00 0.00 C +ATOM 44 CA GLY A 44 250.559 264.248 240.434 1.00 0.00 C +ATOM 45 CA ARG A 45 250.706 260.711 241.842 1.00 0.00 C +ATOM 46 CA LEU A 46 253.187 257.919 242.592 1.00 0.00 C +ATOM 47 CA LYS A 47 252.287 256.363 245.952 1.00 0.00 C +ATOM 48 CA ARG A 48 250.528 253.660 247.981 1.00 0.00 C +ATOM 49 CA GLN A 49 248.304 250.795 246.813 1.00 0.00 C +ATOM 50 CA GLU A 50 244.756 249.790 247.771 1.00 0.00 C +ATOM 51 CA GLU A 51 242.533 247.290 245.947 1.00 0.00 C +ATOM 52 CA GLU A 52 240.340 248.052 242.927 1.00 0.00 C +ATOM 53 CA ARG A 53 242.266 250.556 240.798 1.00 0.00 C +ATOM 54 CA ARG A 54 245.856 251.827 240.688 1.00 0.00 C +ATOM 55 CA ARG A 55 248.336 249.921 238.511 1.00 0.00 C +ATOM 56 CA GLN A 56 251.747 248.990 239.929 1.00 0.00 C +ATOM 57 CA LYS A 57 252.809 247.895 243.421 1.00 0.00 C +ATOM 58 CA GLU A 58 255.298 249.192 245.998 1.00 0.00 C +ATOM 59 CA ARG A 59 257.364 252.284 245.169 1.00 0.00 C +ATOM 60 CA TYR A 60 258.835 254.490 247.905 1.00 0.00 C +ATOM 61 CA GLU A 61 262.488 255.264 247.152 1.00 0.00 C +ATOM 62 CA LYS A 62 265.728 255.683 249.112 1.00 0.00 C +ATOM 63 CA GLU A 63 266.573 257.572 252.311 1.00 0.00 C +ATOM 64 CA LYS A 64 267.745 260.665 254.203 1.00 0.00 C +ATOM 65 CA THR A 65 270.810 262.050 255.993 1.00 0.00 C +ATOM 66 CA PHE A 66 272.111 265.492 256.980 1.00 0.00 C +ATOM 67 CA LYS A 67 274.393 267.196 259.511 1.00 0.00 C +ATOM 68 CA ARG A 68 273.012 269.286 262.381 1.00 0.00 C +ATOM 69 CA LYS A 69 274.113 268.767 265.992 1.00 0.00 C +ATOM 70 CA GLU A 70 277.917 268.670 265.805 1.00 0.00 C +ATOM 71 CA GLU A 71 281.694 268.893 266.249 1.00 0.00 C +ATOM 72 CA GLU A 72 283.712 269.017 263.020 1.00 0.00 C +ATOM 73 CA MET A 73 282.226 267.175 260.033 1.00 0.00 C +ATOM 74 CA LYS A 74 280.813 263.761 259.105 1.00 0.00 C +ATOM 75 CA LYS A 75 279.711 260.431 257.618 1.00 0.00 C +ATOM 76 CA GLU A 76 282.760 258.150 257.738 1.00 0.00 C +ATOM 77 CA LYS A 77 286.493 257.703 257.123 1.00 0.00 C +ATOM 78 CA ASP A 78 289.152 257.583 259.849 1.00 0.00 C +ATOM 79 CA THR A 79 290.123 257.481 263.532 1.00 0.00 C +ATOM 80 CA LEU A 80 290.788 261.036 264.730 1.00 0.00 C +ATOM 81 CA ARG A 81 293.417 262.052 267.293 1.00 0.00 C +ATOM 82 CA ASP A 82 296.647 264.008 267.800 1.00 0.00 C +ATOM 83 CA LYS A 83 297.432 267.710 268.239 1.00 0.00 C +ATOM 84 CA GLY A 84 295.137 270.644 269.044 1.00 0.00 C +ATOM 85 CA LYS A 85 293.936 273.696 267.106 1.00 0.00 C +ATOM 86 CA LYS A 86 294.530 276.774 269.271 1.00 0.00 C +ATOM 87 CA ALA A 87 292.825 279.911 270.602 1.00 0.00 C +ATOM 88 CA GLU A 88 290.944 282.246 268.251 1.00 0.00 C +TER 89 GLU A 88 +END diff --git a/Mammals/Q3YB49/Q3YB49.dcd b/Mammals/Q3YB49/Q3YB49.dcd new file mode 100644 index 0000000000000000000000000000000000000000..0344ed535f8bf79ffa7768064c548cc80391d237 --- /dev/null +++ b/Mammals/Q3YB49/Q3YB49.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:df629496738b7b34f09ce68c5ddda1f53d3075fee62cadcfa2667a27c8b7ccd9 +size 5480276 diff --git a/Mammals/Q3YB49/top.pdb b/Mammals/Q3YB49/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..51142454c2a064a97147f01672ddbd8c12b0b48b --- /dev/null +++ b/Mammals/Q3YB49/top.pdb @@ -0,0 +1,43 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LYS A 1 249.740 223.539 250.003 1.00 0.00 C +ATOM 2 CA VAL A 2 246.359 224.885 251.132 1.00 0.00 C +ATOM 3 CA SER A 3 244.279 227.790 252.455 1.00 0.00 C +ATOM 4 CA ASN A 4 243.502 230.762 250.201 1.00 0.00 C +ATOM 5 CA ASN A 5 243.616 233.256 247.322 1.00 0.00 C +ATOM 6 CA ALA A 6 242.314 236.826 247.050 1.00 0.00 C +ATOM 7 CA GLU A 7 243.434 239.804 244.954 1.00 0.00 C +ATOM 8 CA ASP A 8 245.811 242.764 245.278 1.00 0.00 C +ATOM 9 CA PRO A 9 249.317 241.943 246.522 1.00 0.00 C +ATOM 10 CA LYS A 10 252.832 240.684 247.283 1.00 0.00 C +ATOM 11 CA ASP A 11 255.991 239.445 249.015 1.00 0.00 C +ATOM 12 CA LEU A 12 258.276 236.955 250.773 1.00 0.00 C +ATOM 13 CA MET A 13 258.352 237.814 254.484 1.00 0.00 C +ATOM 14 CA LEU A 14 255.981 238.417 257.406 1.00 0.00 C +ATOM 15 CA SER A 15 253.140 238.872 259.903 1.00 0.00 C +ATOM 16 CA GLY A 16 251.101 241.425 261.862 1.00 0.00 C +ATOM 17 CA GLU A 17 247.634 242.841 261.161 1.00 0.00 C +ATOM 18 CA ARG A 18 245.591 244.170 264.089 1.00 0.00 C +ATOM 19 CA VAL A 19 246.812 246.656 266.706 1.00 0.00 C +ATOM 20 CA LEU A 20 247.772 250.175 265.607 1.00 0.00 C +ATOM 21 CA GLN A 21 250.212 250.571 262.708 1.00 0.00 C +ATOM 22 CA THR A 22 253.733 250.929 261.297 1.00 0.00 C +ATOM 23 CA GLU A 23 254.126 252.966 258.101 1.00 0.00 C +ATOM 24 CA ARG A 24 254.616 255.873 255.688 1.00 0.00 C +ATOM 25 CA SER A 25 253.777 256.999 252.146 1.00 0.00 C +ATOM 26 CA VAL A 26 251.050 256.680 249.504 1.00 0.00 C +ATOM 27 CA GLU A 27 249.174 258.548 246.764 1.00 0.00 C +ATOM 28 CA SER A 28 251.433 261.030 244.959 1.00 0.00 C +ATOM 29 CA SER A 29 251.718 264.782 245.552 1.00 0.00 C +ATOM 30 CA SER A 30 249.236 267.328 244.182 1.00 0.00 C +ATOM 31 CA ILE A 31 248.054 270.938 243.886 1.00 0.00 C +ATOM 32 CA SER A 32 250.540 273.808 243.578 1.00 0.00 C +ATOM 33 CA LEU A 33 253.597 274.213 241.339 1.00 0.00 C +ATOM 34 CA VAL A 34 254.478 271.665 238.647 1.00 0.00 C +ATOM 35 CA PRO A 35 252.116 268.676 238.601 1.00 0.00 C +ATOM 36 CA GLY A 36 251.112 265.732 236.400 1.00 0.00 C +ATOM 37 CA THR A 37 248.548 263.093 235.415 1.00 0.00 C +ATOM 38 CA ASP A 38 245.276 263.981 237.153 1.00 0.00 C +ATOM 39 CA TYR A 39 245.352 263.167 240.875 1.00 0.00 C +TER 40 TYR A 39 +END diff --git a/Mammals/Q3YB53/Q3YB53.dcd b/Mammals/Q3YB53/Q3YB53.dcd new file mode 100644 index 0000000000000000000000000000000000000000..6c71934682b8e1d5e120676002b5f7148d709fac --- /dev/null +++ b/Mammals/Q3YB53/Q3YB53.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:faed6b41f3950a9793ffe6d90e8d4eb3258a9dd503cb8d771c720a2e84577a1d +size 5480276 diff --git a/Mammals/Q3YB53/top.pdb b/Mammals/Q3YB53/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0d220bc7373327ae7a4f0f7e6c8ff3644632a166 --- /dev/null +++ b/Mammals/Q3YB53/top.pdb @@ -0,0 +1,43 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ASN A 1 235.785 262.445 246.964 1.00 0.00 C +ATOM 2 CA ASP A 2 236.894 266.079 246.682 1.00 0.00 C +ATOM 3 CA ILE A 3 238.939 266.740 243.536 1.00 0.00 C +ATOM 4 CA LYS A 4 241.071 266.800 240.379 1.00 0.00 C +ATOM 5 CA GLU A 5 244.757 266.455 241.282 1.00 0.00 C +ATOM 6 CA SER A 6 248.468 266.426 242.142 1.00 0.00 C +ATOM 7 CA SER A 7 248.950 264.013 245.052 1.00 0.00 C +ATOM 8 CA ALA A 8 246.419 264.909 247.755 1.00 0.00 C +ATOM 9 CA VAL A 9 246.358 262.281 250.512 1.00 0.00 C +ATOM 10 CA PHE A 10 247.565 258.790 249.578 1.00 0.00 C +ATOM 11 CA SER A 11 248.043 256.605 252.662 1.00 0.00 C +ATOM 12 CA LYS A 12 245.385 257.528 255.231 1.00 0.00 C +ATOM 13 CA SER A 13 242.619 254.988 255.876 1.00 0.00 C +ATOM 14 CA VAL A 14 242.760 251.244 255.184 1.00 0.00 C +ATOM 15 CA GLN A 15 239.510 250.371 253.398 1.00 0.00 C +ATOM 16 CA LYS A 16 235.896 249.490 254.223 1.00 0.00 C +ATOM 17 CA GLY A 17 233.485 251.844 252.446 1.00 0.00 C +ATOM 18 CA GLU A 18 234.662 254.759 250.293 1.00 0.00 C +ATOM 19 CA LEU A 19 236.106 253.149 247.157 1.00 0.00 C +ATOM 20 CA SER A 20 239.352 252.594 245.241 1.00 0.00 C +ATOM 21 CA ARG A 21 242.551 251.095 246.666 1.00 0.00 C +ATOM 22 CA SER A 22 245.536 253.046 245.325 1.00 0.00 C +ATOM 23 CA PRO A 23 248.864 251.532 246.395 1.00 0.00 C +ATOM 24 CA SER A 24 251.473 250.669 249.034 1.00 0.00 C +ATOM 25 CA PRO A 25 253.694 249.123 251.716 1.00 0.00 C +ATOM 26 CA PHE A 26 256.880 248.963 253.799 1.00 0.00 C +ATOM 27 CA THR A 27 259.582 246.312 254.232 1.00 0.00 C +ATOM 28 CA HIS A 28 262.517 245.158 252.094 1.00 0.00 C +ATOM 29 CA THR A 29 261.789 242.695 249.280 1.00 0.00 C +ATOM 30 CA HIS A 30 259.256 240.184 247.942 1.00 0.00 C +ATOM 31 CA LEU A 31 259.149 237.187 245.592 1.00 0.00 C +ATOM 32 CA ALA A 32 259.917 233.460 245.405 1.00 0.00 C +ATOM 33 CA GLN A 33 261.799 231.180 247.808 1.00 0.00 C +ATOM 34 CA GLY A 34 261.613 228.592 250.598 1.00 0.00 C +ATOM 35 CA TYR A 35 262.011 230.544 253.845 1.00 0.00 C +ATOM 36 CA ARG A 36 264.443 230.869 256.760 1.00 0.00 C +ATOM 37 CA ARG A 37 268.010 231.052 258.088 1.00 0.00 C +ATOM 38 CA GLY A 38 269.277 233.656 260.563 1.00 0.00 C +ATOM 39 CA ALA A 39 268.614 237.176 259.265 1.00 0.00 C +TER 40 ALA A 39 +END diff --git a/Mammals/Q3YB83/Q3YB83.dcd b/Mammals/Q3YB83/Q3YB83.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a7c45150a347621ca549e43ca648ff010839bb8a --- /dev/null +++ b/Mammals/Q3YB83/Q3YB83.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:49200f1a5ec872256df9042c84955d9167c20a734df72d2ced67a562cbeae2cf +size 10040276 diff --git a/Mammals/Q3YB83/top.pdb b/Mammals/Q3YB83/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ff9c9dd9748c9df4e1b11b83c6105a8363e497be --- /dev/null +++ b/Mammals/Q3YB83/top.pdb @@ -0,0 +1,81 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 236.010 254.040 268.568 1.00 0.00 C +ATOM 2 CA LYS A 2 239.539 255.306 267.893 1.00 0.00 C +ATOM 3 CA SER A 3 242.146 256.426 265.350 1.00 0.00 C +ATOM 4 CA CYS A 4 245.035 257.989 267.281 1.00 0.00 C +ATOM 5 CA PHE A 5 246.376 261.546 267.538 1.00 0.00 C +ATOM 6 CA GLN A 6 249.604 263.227 266.412 1.00 0.00 C +ATOM 7 CA ALA A 7 253.344 262.605 266.784 1.00 0.00 C +ATOM 8 CA ARG A 8 254.762 259.255 265.652 1.00 0.00 C +ATOM 9 CA ALA A 9 256.314 258.017 262.400 1.00 0.00 C +ATOM 10 CA SER A 10 257.993 257.403 259.035 1.00 0.00 C +ATOM 11 CA GLY A 11 258.747 260.206 256.568 1.00 0.00 C +ATOM 12 CA GLN A 12 257.844 261.608 253.142 1.00 0.00 C +ATOM 13 CA PRO A 13 256.620 261.902 249.547 1.00 0.00 C +ATOM 14 CA CYS A 14 257.638 265.130 247.797 1.00 0.00 C +ATOM 15 CA ILE A 15 255.660 267.248 245.322 1.00 0.00 C +ATOM 16 CA SER A 16 252.734 265.247 243.925 1.00 0.00 C +ATOM 17 CA SER A 17 253.474 262.895 241.021 1.00 0.00 C +ATOM 18 CA GLN A 18 253.313 259.102 240.699 1.00 0.00 C +ATOM 19 CA LEU A 19 255.062 256.019 242.097 1.00 0.00 C +ATOM 20 CA TRP A 20 256.542 253.032 240.251 1.00 0.00 C +ATOM 21 CA SER A 21 253.774 251.596 238.062 1.00 0.00 C +ATOM 22 CA SER A 22 253.285 251.821 234.290 1.00 0.00 C +ATOM 23 CA GLU A 23 256.811 251.989 232.856 1.00 0.00 C +ATOM 24 CA PRO A 24 258.568 251.507 229.510 1.00 0.00 C +ATOM 25 CA SER A 25 258.421 250.545 225.827 1.00 0.00 C +ATOM 26 CA PRO A 26 257.845 247.183 224.131 1.00 0.00 C +ATOM 27 CA GLY A 27 259.280 244.355 226.243 1.00 0.00 C +ATOM 28 CA TRP A 28 260.624 241.938 228.864 1.00 0.00 C +ATOM 29 CA LYS A 29 260.870 238.536 227.166 1.00 0.00 C +ATOM 30 CA SER A 30 258.562 235.711 226.069 1.00 0.00 C +ATOM 31 CA PRO A 31 258.070 233.536 229.158 1.00 0.00 C +ATOM 32 CA SER A 32 260.890 233.186 231.696 1.00 0.00 C +ATOM 33 CA HIS A 33 263.658 234.907 233.670 1.00 0.00 C +ATOM 34 CA THR A 34 265.121 238.219 232.484 1.00 0.00 C +ATOM 35 CA HIS A 35 264.066 241.561 233.977 1.00 0.00 C +ATOM 36 CA HIS A 36 263.210 243.941 236.827 1.00 0.00 C +ATOM 37 CA THR A 37 260.008 243.033 238.681 1.00 0.00 C +ATOM 38 CA GLN A 38 257.898 246.200 238.498 1.00 0.00 C +ATOM 39 CA PRO A 39 254.327 245.185 237.638 1.00 0.00 C +ATOM 40 CA GLN A 40 252.060 245.383 240.693 1.00 0.00 C +ATOM 41 CA HIS A 41 249.222 247.288 242.378 1.00 0.00 C +ATOM 42 CA SER A 42 248.751 250.943 241.412 1.00 0.00 C +ATOM 43 CA SER A 43 248.371 254.165 239.414 1.00 0.00 C +ATOM 44 CA TYR A 44 246.147 256.870 237.913 1.00 0.00 C +ATOM 45 CA GLN A 45 242.890 258.490 239.046 1.00 0.00 C +ATOM 46 CA SER A 46 239.168 258.653 238.252 1.00 0.00 C +ATOM 47 CA LEU A 47 235.975 257.345 239.870 1.00 0.00 C +ATOM 48 CA ARG A 48 235.004 253.771 240.764 1.00 0.00 C +ATOM 49 CA SER A 49 233.953 250.895 238.497 1.00 0.00 C +ATOM 50 CA GLN A 50 236.739 249.740 236.169 1.00 0.00 C +ATOM 51 CA SER A 51 239.606 252.224 235.811 1.00 0.00 C +ATOM 52 CA HIS A 52 241.923 251.965 238.825 1.00 0.00 C +ATOM 53 CA THR A 53 240.144 249.776 241.385 1.00 0.00 C +ATOM 54 CA ARG A 54 239.222 250.785 244.942 1.00 0.00 C +ATOM 55 CA CYS A 55 242.338 252.008 246.760 1.00 0.00 C +ATOM 56 CA PRO A 56 242.980 250.603 250.243 1.00 0.00 C +ATOM 57 CA PRO A 57 242.954 249.728 253.951 1.00 0.00 C +ATOM 58 CA PRO A 58 246.547 250.059 255.177 1.00 0.00 C +ATOM 59 CA GLY A 59 248.183 246.672 254.570 1.00 0.00 C +ATOM 60 CA ARG A 60 250.839 243.942 254.675 1.00 0.00 C +ATOM 61 CA GLU A 61 249.399 241.134 256.809 1.00 0.00 C +ATOM 62 CA ARG A 62 249.764 241.575 260.575 1.00 0.00 C +ATOM 63 CA GLN A 63 250.863 240.267 263.981 1.00 0.00 C +ATOM 64 CA ARG A 64 250.221 242.256 267.166 1.00 0.00 C +ATOM 65 CA HIS A 65 250.382 245.114 269.681 1.00 0.00 C +ATOM 66 CA CYS A 66 253.852 244.964 271.245 1.00 0.00 C +ATOM 67 CA PRO A 67 254.650 244.458 274.936 1.00 0.00 C +ATOM 68 CA HIS A 68 252.709 247.008 276.997 1.00 0.00 C +ATOM 69 CA ARG A 69 250.892 245.961 280.178 1.00 0.00 C +ATOM 70 CA HIS A 70 247.946 247.742 281.811 1.00 0.00 C +ATOM 71 CA SER A 71 244.960 248.074 279.468 1.00 0.00 C +ATOM 72 CA ARG A 72 244.437 245.033 277.233 1.00 0.00 C +ATOM 73 CA CYS A 73 241.556 242.950 275.863 1.00 0.00 C +ATOM 74 CA LEU A 74 238.651 241.059 274.282 1.00 0.00 C +ATOM 75 CA LEU A 75 236.579 241.285 271.093 1.00 0.00 C +ATOM 76 CA GLY A 76 234.642 242.445 268.024 1.00 0.00 C +ATOM 77 CA THR A 77 231.436 244.219 266.979 1.00 0.00 C +TER 78 THR A 77 +END diff --git a/Mammals/Q3YE87/Q3YE87.dcd b/Mammals/Q3YE87/Q3YE87.dcd new file mode 100644 index 0000000000000000000000000000000000000000..0f0f6930b01ef32aae735bd4581245a11a82dd18 --- /dev/null +++ b/Mammals/Q3YE87/Q3YE87.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:04dfe549868ac129db9aa1869f29021dfccbf3c91dde140059bd744626b3aa3a +size 15440276 diff --git a/Mammals/Q3YE87/top.pdb b/Mammals/Q3YE87/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e436eb59d9ebef3681a35f238151115eab963067 --- /dev/null +++ b/Mammals/Q3YE87/top.pdb @@ -0,0 +1,126 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LYS A 1 195.056 282.815 174.371 1.00 0.00 C +ATOM 2 CA LYS A 2 192.564 285.109 176.114 1.00 0.00 C +ATOM 3 CA HIS A 3 193.290 288.824 176.544 1.00 0.00 C +ATOM 4 CA SER A 4 194.753 292.199 177.538 1.00 0.00 C +ATOM 5 CA SER A 5 197.774 293.491 175.609 1.00 0.00 C +ATOM 6 CA TYR A 6 200.904 291.343 175.281 1.00 0.00 C +ATOM 7 CA GLU A 7 201.662 290.126 178.810 1.00 0.00 C +ATOM 8 CA ASP A 8 203.921 287.302 180.009 1.00 0.00 C +ATOM 9 CA GLU A 9 203.907 284.904 182.969 1.00 0.00 C +ATOM 10 CA LEU A 10 204.373 286.685 186.304 1.00 0.00 C +ATOM 11 CA SER A 11 207.880 287.969 187.057 1.00 0.00 C +ATOM 12 CA GLU A 12 208.185 291.416 188.651 1.00 0.00 C +ATOM 13 CA VAL A 13 207.502 295.065 189.510 1.00 0.00 C +ATOM 14 CA LEU A 14 208.905 297.825 191.730 1.00 0.00 C +ATOM 15 CA GLU A 15 208.664 300.296 194.620 1.00 0.00 C +ATOM 16 CA LYS A 16 209.808 300.844 198.212 1.00 0.00 C +ATOM 17 CA PRO A 17 212.338 298.338 199.566 1.00 0.00 C +ATOM 18 CA ASN A 18 213.504 297.623 203.122 1.00 0.00 C +ATOM 19 CA ASP A 19 214.306 295.198 205.949 1.00 0.00 C +ATOM 20 CA GLN A 20 214.888 294.081 209.545 1.00 0.00 C +ATOM 21 CA ALA A 21 215.846 293.099 213.099 1.00 0.00 C +ATOM 22 CA GLU A 22 215.595 295.175 216.284 1.00 0.00 C +ATOM 23 CA PRO A 23 216.074 298.230 218.510 1.00 0.00 C +ATOM 24 CA LYS A 24 218.721 297.299 221.088 1.00 0.00 C +ATOM 25 CA GLU A 25 219.663 294.036 222.814 1.00 0.00 C +ATOM 26 CA VAL A 26 222.371 293.450 225.429 1.00 0.00 C +ATOM 27 CA THR A 27 222.556 294.162 229.167 1.00 0.00 C +ATOM 28 CA GLU A 28 221.167 292.444 232.271 1.00 0.00 C +ATOM 29 CA GLU A 29 221.936 290.608 235.520 1.00 0.00 C +ATOM 30 CA VAL A 30 224.787 291.316 237.947 1.00 0.00 C +ATOM 31 CA SER A 31 223.200 290.957 241.392 1.00 0.00 C +ATOM 32 CA SER A 32 222.955 287.572 243.123 1.00 0.00 C +ATOM 33 CA LYS A 33 225.996 285.428 242.304 1.00 0.00 C +ATOM 34 CA ASP A 34 227.961 283.500 244.938 1.00 0.00 C +ATOM 35 CA ALA A 35 229.154 280.048 243.852 1.00 0.00 C +ATOM 36 CA ALA A 36 229.680 276.591 245.366 1.00 0.00 C +ATOM 37 CA GLU A 37 232.563 275.363 247.533 1.00 0.00 C +ATOM 38 CA LYS A 38 233.836 276.217 251.021 1.00 0.00 C +ATOM 39 CA ARG A 39 235.965 273.727 252.965 1.00 0.00 C +ATOM 40 CA ASP A 40 236.788 271.076 255.576 1.00 0.00 C +ATOM 41 CA ASP A 41 234.335 268.166 255.751 1.00 0.00 C +ATOM 42 CA SER A 42 231.638 265.475 255.817 1.00 0.00 C +ATOM 43 CA LYS A 43 231.516 261.742 256.568 1.00 0.00 C +ATOM 44 CA GLU A 44 232.556 259.759 253.485 1.00 0.00 C +ATOM 45 CA VAL A 45 229.468 259.630 251.258 1.00 0.00 C +ATOM 46 CA GLU A 46 230.350 257.781 248.046 1.00 0.00 C +ATOM 47 CA LYS A 47 227.097 256.293 246.735 1.00 0.00 C +ATOM 48 CA SER A 48 227.570 252.620 245.843 1.00 0.00 C +ATOM 49 CA ASP A 49 226.141 251.329 242.555 1.00 0.00 C +ATOM 50 CA GLU A 50 224.720 248.714 240.178 1.00 0.00 C +ATOM 51 CA ASP A 51 226.175 246.689 237.297 1.00 0.00 C +ATOM 52 CA SER A 52 228.892 244.195 236.341 1.00 0.00 C +ATOM 53 CA ASP A 53 232.258 245.241 234.894 1.00 0.00 C +ATOM 54 CA GLY A 54 234.884 242.509 235.289 1.00 0.00 C +ATOM 55 CA ASP A 55 236.137 240.154 238.009 1.00 0.00 C +ATOM 56 CA ARG A 56 234.981 236.657 238.987 1.00 0.00 C +ATOM 57 CA PRO A 57 233.453 233.790 240.976 1.00 0.00 C +ATOM 58 CA GLN A 58 234.317 233.072 244.617 1.00 0.00 C +ATOM 59 CA ALA A 59 235.479 233.259 248.241 1.00 0.00 C +ATOM 60 CA SER A 60 235.876 230.798 251.123 1.00 0.00 C +ATOM 61 CA PRO A 61 236.472 230.252 254.846 1.00 0.00 C +ATOM 62 CA GLY A 62 237.783 232.643 257.506 1.00 0.00 C +ATOM 63 CA LEU A 63 240.083 235.579 258.290 1.00 0.00 C +ATOM 64 CA GLY A 64 240.048 237.244 261.716 1.00 0.00 C +ATOM 65 CA PRO A 65 239.310 235.539 265.042 1.00 0.00 C +ATOM 66 CA GLY A 66 239.117 231.772 265.578 1.00 0.00 C +ATOM 67 CA PRO A 67 240.439 231.014 269.070 1.00 0.00 C +ATOM 68 CA LYS A 68 241.912 227.509 269.316 1.00 0.00 C +ATOM 69 CA VAL A 69 245.240 226.113 268.095 1.00 0.00 C +ATOM 70 CA GLU A 70 248.534 224.610 266.909 1.00 0.00 C +ATOM 71 CA GLU A 71 249.300 226.302 263.582 1.00 0.00 C +ATOM 72 CA ASP A 72 248.597 228.031 260.260 1.00 0.00 C +ATOM 73 CA ASN A 73 250.949 228.424 257.289 1.00 0.00 C +ATOM 74 CA GLN A 74 253.442 230.785 255.637 1.00 0.00 C +ATOM 75 CA ALA A 75 256.605 231.179 253.550 1.00 0.00 C +ATOM 76 CA PRO A 76 256.844 231.796 249.798 1.00 0.00 C +ATOM 77 CA GLY A 77 259.104 229.183 248.191 1.00 0.00 C +ATOM 78 CA GLU A 78 259.857 225.712 249.568 1.00 0.00 C +ATOM 79 CA GLU A 79 263.361 225.966 251.042 1.00 0.00 C +ATOM 80 CA GLU A 80 266.433 227.057 253.015 1.00 0.00 C +ATOM 81 CA GLU A 81 267.464 229.168 256.014 1.00 0.00 C +ATOM 82 CA ALA A 82 266.774 232.866 255.407 1.00 0.00 C +ATOM 83 CA PRO A 83 268.226 236.286 256.249 1.00 0.00 C +ATOM 84 CA SER A 84 267.917 239.469 258.321 1.00 0.00 C +ATOM 85 CA ASN A 85 270.124 240.330 261.305 1.00 0.00 C +ATOM 86 CA ALA A 86 273.192 242.050 262.769 1.00 0.00 C +ATOM 87 CA HIS A 87 276.906 242.898 262.680 1.00 0.00 C +ATOM 88 CA PRO A 88 278.139 242.340 266.241 1.00 0.00 C +ATOM 89 CA LEU A 89 281.750 242.071 267.426 1.00 0.00 C +ATOM 90 CA ALA A 90 283.774 238.897 266.839 1.00 0.00 C +ATOM 91 CA SER A 91 282.701 236.186 269.292 1.00 0.00 C +ATOM 92 CA LEU A 92 282.770 237.176 272.971 1.00 0.00 C +ATOM 93 CA PRO A 93 286.389 237.856 273.949 1.00 0.00 C +ATOM 94 CA SER A 94 290.131 237.302 274.406 1.00 0.00 C +ATOM 95 CA PRO A 95 292.610 234.425 274.100 1.00 0.00 C +ATOM 96 CA LYS A 96 294.401 231.600 275.924 1.00 0.00 C +ATOM 97 CA TYR A 97 292.785 230.158 279.059 1.00 0.00 C +ATOM 98 CA PRO A 98 293.387 227.899 282.067 1.00 0.00 C +ATOM 99 CA GLY A 99 294.535 229.011 285.526 1.00 0.00 C +ATOM 100 CA PRO A 100 292.242 231.013 287.817 1.00 0.00 C +ATOM 101 CA GLN A 101 289.568 229.344 289.957 1.00 0.00 C +ATOM 102 CA ALA A 102 289.888 225.588 290.509 1.00 0.00 C +ATOM 103 CA LYS A 103 292.449 223.622 292.533 1.00 0.00 C +ATOM 104 CA GLU A 104 294.269 226.149 294.727 1.00 0.00 C +ATOM 105 CA ASP A 105 298.047 225.972 295.190 1.00 0.00 C +ATOM 106 CA SER A 106 299.741 223.479 297.520 1.00 0.00 C +ATOM 107 CA GLU A 107 298.067 220.108 296.926 1.00 0.00 C +ATOM 108 CA GLY A 108 299.236 216.501 297.304 1.00 0.00 C +ATOM 109 CA PRO A 109 296.798 214.233 295.452 1.00 0.00 C +ATOM 110 CA SER A 110 295.402 211.014 296.936 1.00 0.00 C +ATOM 111 CA GLN A 111 296.522 208.909 299.908 1.00 0.00 C +ATOM 112 CA GLY A 112 297.604 205.467 301.131 1.00 0.00 C +ATOM 113 CA PRO A 113 301.244 204.516 301.733 1.00 0.00 C +ATOM 114 CA ALA A 114 303.513 202.198 299.735 1.00 0.00 C +ATOM 115 CA SER A 115 305.942 200.511 302.137 1.00 0.00 C +ATOM 116 CA ARG A 116 308.908 198.389 301.036 1.00 0.00 C +ATOM 117 CA GLU A 117 311.889 196.520 299.573 1.00 0.00 C +ATOM 118 CA LYS A 118 314.892 194.731 301.088 1.00 0.00 C +ATOM 119 CA GLY A 119 317.958 196.990 300.974 1.00 0.00 C +ATOM 120 CA LEU A 120 320.185 200.079 301.094 1.00 0.00 C +ATOM 121 CA SER A 121 320.716 203.604 302.438 1.00 0.00 C +ATOM 122 CA ALA A 122 318.674 206.740 301.720 1.00 0.00 C +TER 123 ALA A 122 +END diff --git a/Mammals/Q3ZBR2/Q3ZBR2.dcd b/Mammals/Q3ZBR2/Q3ZBR2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..712a31dfdc9180dcb9b6b14142d7d41ffdcc0f42 --- /dev/null +++ b/Mammals/Q3ZBR2/Q3ZBR2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:22040fbcb5af32214129994ceab0f9ad2ec096bfb792b871b56e90f6e4fed6cf +size 8000276 diff --git a/Mammals/Q3ZBR2/top.pdb b/Mammals/Q3ZBR2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..915b21fc66b5dc81d0a70efa658510ab0094ba3a --- /dev/null +++ b/Mammals/Q3ZBR2/top.pdb @@ -0,0 +1,64 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 220.415 232.348 261.286 1.00 0.00 C +ATOM 2 CA GLU A 2 223.090 232.308 263.999 1.00 0.00 C +ATOM 3 CA GLU A 3 226.160 232.243 266.255 1.00 0.00 C +ATOM 4 CA PHE A 4 229.279 234.225 267.182 1.00 0.00 C +ATOM 5 CA ASP A 5 232.841 234.399 265.841 1.00 0.00 C +ATOM 6 CA SER A 6 235.605 233.451 263.397 1.00 0.00 C +ATOM 7 CA LYS A 7 235.854 235.662 260.304 1.00 0.00 C +ATOM 8 CA ASP A 8 235.955 239.273 259.093 1.00 0.00 C +ATOM 9 CA ILE A 9 237.873 242.257 257.704 1.00 0.00 C +ATOM 10 CA SER A 10 237.114 245.566 259.433 1.00 0.00 C +ATOM 11 CA THR A 11 236.857 248.307 256.799 1.00 0.00 C +ATOM 12 CA SER A 12 238.420 251.664 257.695 1.00 0.00 C +ATOM 13 CA LYS A 13 238.087 254.421 260.304 1.00 0.00 C +ATOM 14 CA ASP A 14 234.878 255.411 262.103 1.00 0.00 C +ATOM 15 CA GLU A 15 231.865 253.693 263.681 1.00 0.00 C +ATOM 16 CA ASP A 16 230.918 250.002 263.643 1.00 0.00 C +ATOM 17 CA CYS A 17 231.783 246.294 263.529 1.00 0.00 C +ATOM 18 CA VAL A 18 231.036 245.029 260.014 1.00 0.00 C +ATOM 19 CA PRO A 19 231.246 244.920 256.211 1.00 0.00 C +ATOM 20 CA LEU A 20 229.090 247.764 254.875 1.00 0.00 C +ATOM 21 CA GLY A 21 228.360 247.072 251.201 1.00 0.00 C +ATOM 22 CA GLY A 22 230.231 244.053 249.821 1.00 0.00 C +ATOM 23 CA GLU A 23 233.869 243.708 250.897 1.00 0.00 C +ATOM 24 CA CYS A 24 237.658 243.371 250.681 1.00 0.00 C +ATOM 25 CA HIS A 25 241.184 243.970 251.993 1.00 0.00 C +ATOM 26 CA GLU A 26 244.373 244.010 249.908 1.00 0.00 C +ATOM 27 CA ASP A 27 247.979 244.960 250.686 1.00 0.00 C +ATOM 28 CA ASP A 28 250.928 244.946 248.273 1.00 0.00 C +ATOM 29 CA ILE A 29 254.091 246.563 249.649 1.00 0.00 C +ATOM 30 CA ASN A 30 256.561 247.793 252.276 1.00 0.00 C +ATOM 31 CA GLU A 31 257.747 249.262 255.585 1.00 0.00 C +ATOM 32 CA LEU A 32 256.594 252.380 257.447 1.00 0.00 C +ATOM 33 CA VAL A 33 256.377 255.263 254.966 1.00 0.00 C +ATOM 34 CA LYS A 34 254.924 256.511 251.673 1.00 0.00 C +ATOM 35 CA GLU A 35 256.078 257.010 248.076 1.00 0.00 C +ATOM 36 CA ASP A 36 256.729 258.057 244.471 1.00 0.00 C +ATOM 37 CA GLU A 37 257.016 255.623 241.555 1.00 0.00 C +ATOM 38 CA VAL A 38 254.995 254.507 238.523 1.00 0.00 C +ATOM 39 CA ASP A 39 252.900 251.363 238.029 1.00 0.00 C +ATOM 40 CA GLY A 40 253.215 247.679 238.946 1.00 0.00 C +ATOM 41 CA GLU A 41 256.669 246.081 239.126 1.00 0.00 C +ATOM 42 CA GLU A 42 258.132 244.576 242.306 1.00 0.00 C +ATOM 43 CA GLU A 43 261.232 243.342 244.144 1.00 0.00 C +ATOM 44 CA THR A 44 263.914 245.998 243.626 1.00 0.00 C +ATOM 45 CA GLN A 45 265.067 249.612 243.268 1.00 0.00 C +ATOM 46 CA LYS A 46 266.159 251.319 240.041 1.00 0.00 C +ATOM 47 CA THR A 47 267.913 254.696 240.230 1.00 0.00 C +ATOM 48 CA LYS A 48 266.100 256.867 242.782 1.00 0.00 C +ATOM 49 CA GLY A 49 264.037 259.610 241.128 1.00 0.00 C +ATOM 50 CA THR A 50 265.274 263.125 241.925 1.00 0.00 C +ATOM 51 CA LYS A 51 267.098 265.255 239.346 1.00 0.00 C +ATOM 52 CA ARG A 52 270.218 266.738 240.953 1.00 0.00 C +ATOM 53 CA LYS A 53 272.235 266.142 244.129 1.00 0.00 C +ATOM 54 CA ALA A 54 275.257 264.095 245.221 1.00 0.00 C +ATOM 55 CA GLU A 55 278.094 262.294 243.426 1.00 0.00 C +ATOM 56 CA SER A 56 277.507 260.723 240.004 1.00 0.00 C +ATOM 57 CA VAL A 57 275.293 260.339 236.928 1.00 0.00 C +ATOM 58 CA LEU A 58 275.343 262.794 234.015 1.00 0.00 C +ATOM 59 CA ALA A 59 272.863 263.967 231.371 1.00 0.00 C +ATOM 60 CA ARG A 60 271.420 265.090 228.028 1.00 0.00 C +TER 61 ARG A 60 +END diff --git a/Mammals/Q3ZBV4/Q3ZBV4.dcd b/Mammals/Q3ZBV4/Q3ZBV4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8a0113d5eb790ce8acb99663d10583a356e7eea8 --- /dev/null +++ b/Mammals/Q3ZBV4/Q3ZBV4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:37334c67dc265f216c1a54942e2df86a80905571af354331678f07ab0b7f9175 +size 12800276 diff --git a/Mammals/Q3ZBV4/top.pdb b/Mammals/Q3ZBV4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4d6d5e654981f12ca94c1c4c5f6e3b1be5420343 --- /dev/null +++ b/Mammals/Q3ZBV4/top.pdb @@ -0,0 +1,104 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 260.030 237.664 242.108 1.00 0.00 C +ATOM 2 CA PRO A 2 259.080 239.393 238.848 1.00 0.00 C +ATOM 3 CA LYS A 3 261.318 241.639 236.737 1.00 0.00 C +ATOM 4 CA ARG A 4 263.276 244.109 234.596 1.00 0.00 C +ATOM 5 CA LYS A 5 266.638 245.424 233.378 1.00 0.00 C +ATOM 6 CA SER A 6 269.759 247.406 232.457 1.00 0.00 C +ATOM 7 CA PRO A 7 273.005 249.366 232.824 1.00 0.00 C +ATOM 8 CA GLU A 8 274.475 251.571 235.561 1.00 0.00 C +ATOM 9 CA ASN A 9 271.523 252.381 237.829 1.00 0.00 C +ATOM 10 CA THR A 10 267.826 252.233 238.738 1.00 0.00 C +ATOM 11 CA GLU A 11 264.139 251.861 239.624 1.00 0.00 C +ATOM 12 CA GLY A 12 261.150 251.838 241.987 1.00 0.00 C +ATOM 13 CA LYS A 13 258.068 250.237 243.553 1.00 0.00 C +ATOM 14 CA ASP A 14 255.618 252.344 245.571 1.00 0.00 C +ATOM 15 CA GLY A 15 253.508 255.127 244.047 1.00 0.00 C +ATOM 16 CA SER A 16 255.905 257.210 241.942 1.00 0.00 C +ATOM 17 CA LYS A 17 257.459 259.405 239.244 1.00 0.00 C +ATOM 18 CA VAL A 18 256.171 261.845 236.617 1.00 0.00 C +ATOM 19 CA THR A 19 256.962 261.189 232.948 1.00 0.00 C +ATOM 20 CA LYS A 20 257.981 259.048 229.966 1.00 0.00 C +ATOM 21 CA GLN A 21 259.378 258.284 226.505 1.00 0.00 C +ATOM 22 CA GLU A 22 257.695 256.826 223.414 1.00 0.00 C +ATOM 23 CA PRO A 23 255.433 253.778 223.084 1.00 0.00 C +ATOM 24 CA THR A 24 253.496 251.495 225.440 1.00 0.00 C +ATOM 25 CA ARG A 25 253.311 248.656 227.975 1.00 0.00 C +ATOM 26 CA ARG A 26 250.939 245.929 229.179 1.00 0.00 C +ATOM 27 CA SER A 27 249.612 242.743 230.792 1.00 0.00 C +ATOM 28 CA ALA A 28 247.115 242.733 233.669 1.00 0.00 C +ATOM 29 CA ARG A 29 244.723 240.228 235.257 1.00 0.00 C +ATOM 30 CA LEU A 30 244.806 236.856 237.029 1.00 0.00 C +ATOM 31 CA SER A 31 241.511 234.970 237.352 1.00 0.00 C +ATOM 32 CA ALA A 32 240.361 231.383 236.779 1.00 0.00 C +ATOM 33 CA LYS A 33 239.963 227.786 235.587 1.00 0.00 C +ATOM 34 CA PRO A 34 237.676 225.093 237.013 1.00 0.00 C +ATOM 35 CA ALA A 35 238.032 221.347 237.609 1.00 0.00 C +ATOM 36 CA PRO A 36 237.107 217.884 236.316 1.00 0.00 C +ATOM 37 CA PRO A 37 233.497 216.897 235.608 1.00 0.00 C +ATOM 38 CA LYS A 38 230.209 215.832 234.003 1.00 0.00 C +ATOM 39 CA PRO A 39 227.891 216.892 231.171 1.00 0.00 C +ATOM 40 CA GLU A 40 225.246 219.514 231.973 1.00 0.00 C +ATOM 41 CA PRO A 41 224.530 223.222 232.476 1.00 0.00 C +ATOM 42 CA LYS A 42 224.739 225.712 235.352 1.00 0.00 C +ATOM 43 CA PRO A 43 226.100 225.007 238.840 1.00 0.00 C +ATOM 44 CA ARG A 44 225.952 228.268 240.804 1.00 0.00 C +ATOM 45 CA LYS A 45 225.622 231.717 242.389 1.00 0.00 C +ATOM 46 CA THR A 46 223.984 234.202 244.767 1.00 0.00 C +ATOM 47 CA SER A 47 226.039 235.140 247.834 1.00 0.00 C +ATOM 48 CA ALA A 48 227.642 237.555 250.307 1.00 0.00 C +ATOM 49 CA LYS A 49 229.161 238.110 253.757 1.00 0.00 C +ATOM 50 CA LYS A 50 232.431 236.735 255.149 1.00 0.00 C +ATOM 51 CA GLU A 51 236.034 236.848 253.917 1.00 0.00 C +ATOM 52 CA PRO A 52 239.231 238.439 252.589 1.00 0.00 C +ATOM 53 CA ALA A 53 241.489 239.284 249.639 1.00 0.00 C +ATOM 54 CA ALA A 54 241.363 238.623 245.890 1.00 0.00 C +ATOM 55 CA LYS A 55 244.299 240.145 243.998 1.00 0.00 C +ATOM 56 CA VAL A 56 244.862 243.569 245.573 1.00 0.00 C +ATOM 57 CA SER A 57 246.418 247.003 245.028 1.00 0.00 C +ATOM 58 CA LYS A 58 250.207 246.968 245.426 1.00 0.00 C +ATOM 59 CA GLY A 59 252.755 244.263 244.582 1.00 0.00 C +ATOM 60 CA VAL A 60 254.043 241.176 246.405 1.00 0.00 C +ATOM 61 CA LYS A 61 254.844 241.746 250.086 1.00 0.00 C +ATOM 62 CA GLY A 62 257.870 242.971 252.050 1.00 0.00 C +ATOM 63 CA LYS A 63 259.686 246.124 253.183 1.00 0.00 C +ATOM 64 CA LYS A 64 262.282 248.890 252.835 1.00 0.00 C +ATOM 65 CA GLU A 65 262.506 252.682 253.128 1.00 0.00 C +ATOM 66 CA GLU A 66 259.634 255.165 253.444 1.00 0.00 C +ATOM 67 CA LYS A 67 258.704 257.366 250.476 1.00 0.00 C +ATOM 68 CA GLN A 68 256.567 260.412 251.294 1.00 0.00 C +ATOM 69 CA GLU A 69 255.094 263.851 252.013 1.00 0.00 C +ATOM 70 CA ALA A 70 254.887 267.143 250.105 1.00 0.00 C +ATOM 71 CA GLY A 71 254.021 269.763 247.478 1.00 0.00 C +ATOM 72 CA LYS A 72 252.810 267.951 244.353 1.00 0.00 C +ATOM 73 CA GLU A 73 249.148 266.932 244.105 1.00 0.00 C +ATOM 74 CA GLY A 74 247.514 266.907 247.547 1.00 0.00 C +ATOM 75 CA THR A 75 247.250 267.682 251.268 1.00 0.00 C +ATOM 76 CA ALA A 76 248.410 270.191 253.889 1.00 0.00 C +ATOM 77 CA ALA A 77 247.409 269.150 257.415 1.00 0.00 C +ATOM 78 CA PRO A 78 246.767 265.866 259.237 1.00 0.00 C +ATOM 79 CA SER A 79 249.163 264.630 261.929 1.00 0.00 C +ATOM 80 CA GLU A 80 248.944 266.003 265.476 1.00 0.00 C +ATOM 81 CA ASN A 81 251.165 267.656 268.094 1.00 0.00 C +ATOM 82 CA GLY A 82 253.245 270.321 266.337 1.00 0.00 C +ATOM 83 CA ASP A 83 256.940 269.624 266.954 1.00 0.00 C +ATOM 84 CA THR A 84 260.522 269.464 268.241 1.00 0.00 C +ATOM 85 CA LYS A 85 262.187 266.250 269.429 1.00 0.00 C +ATOM 86 CA THR A 86 261.514 262.501 269.513 1.00 0.00 C +ATOM 87 CA GLU A 87 259.398 260.754 272.157 1.00 0.00 C +ATOM 88 CA GLU A 88 256.944 260.133 275.004 1.00 0.00 C +ATOM 89 CA ALA A 89 254.192 260.134 277.639 1.00 0.00 C +ATOM 90 CA GLN A 90 250.574 261.126 278.303 1.00 0.00 C +ATOM 91 CA LYS A 91 250.092 264.192 280.513 1.00 0.00 C +ATOM 92 CA THR A 92 252.041 267.462 280.691 1.00 0.00 C +ATOM 93 CA GLU A 93 253.068 267.734 284.349 1.00 0.00 C +ATOM 94 CA SER A 94 251.582 267.695 287.857 1.00 0.00 C +ATOM 95 CA VAL A 95 253.095 269.803 290.648 1.00 0.00 C +ATOM 96 CA ALA A 96 252.291 268.152 293.986 1.00 0.00 C +ATOM 97 CA ASN A 97 250.638 269.472 297.154 1.00 0.00 C +ATOM 98 CA GLU A 98 252.870 268.778 300.162 1.00 0.00 C +ATOM 99 CA GLY A 99 256.666 268.497 299.998 1.00 0.00 C +ATOM 100 CA GLU A 100 258.670 270.421 302.605 1.00 0.00 C +TER 101 GLU A 100 +END diff --git a/Mammals/Q3ZE29/Q3ZE29.dcd b/Mammals/Q3ZE29/Q3ZE29.dcd new file mode 100644 index 0000000000000000000000000000000000000000..3e0b770df228f5ede37569581e76f7bdc6fc59b1 --- /dev/null +++ b/Mammals/Q3ZE29/Q3ZE29.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0ad516f270e3f4805c89b5190fd48e3f689340b29d791d8ae20854e970a27f64 +size 4760276 diff --git a/Mammals/Q3ZE29/top.pdb b/Mammals/Q3ZE29/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d71e9f3a8272330227ec880f7429c465195cdcb8 --- /dev/null +++ b/Mammals/Q3ZE29/top.pdb @@ -0,0 +1,37 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ARG A 1 255.700 229.151 264.909 1.00 0.00 C +ATOM 2 CA ARG A 2 258.275 230.349 262.369 1.00 0.00 C +ATOM 3 CA PHE A 3 260.219 230.097 259.102 1.00 0.00 C +ATOM 4 CA SER A 4 262.118 233.383 258.758 1.00 0.00 C +ATOM 5 CA ARG A 5 264.089 233.606 255.505 1.00 0.00 C +ATOM 6 CA SER A 6 265.338 236.935 254.136 1.00 0.00 C +ATOM 7 CA ASP A 7 264.938 237.282 250.363 1.00 0.00 C +ATOM 8 CA GLN A 8 262.361 238.766 247.982 1.00 0.00 C +ATOM 9 CA LEU A 9 261.559 242.005 246.142 1.00 0.00 C +ATOM 10 CA LYS A 10 260.387 245.628 246.276 1.00 0.00 C +ATOM 11 CA ARG A 11 262.035 248.196 243.994 1.00 0.00 C +ATOM 12 CA HIS A 12 265.416 249.917 244.348 1.00 0.00 C +ATOM 13 CA GLN A 13 266.377 250.886 247.905 1.00 0.00 C +ATOM 14 CA ARG A 14 266.168 254.243 249.695 1.00 0.00 C +ATOM 15 CA ARG A 15 262.571 255.088 250.623 1.00 0.00 C +ATOM 16 CA HIS A 16 259.215 253.429 251.334 1.00 0.00 C +ATOM 17 CA THR A 17 258.169 249.952 250.180 1.00 0.00 C +ATOM 18 CA GLY A 18 254.371 249.661 250.246 1.00 0.00 C +ATOM 19 CA VAL A 19 251.766 252.409 249.820 1.00 0.00 C +ATOM 20 CA LYS A 20 252.143 254.881 252.695 1.00 0.00 C +ATOM 21 CA PRO A 21 248.964 256.627 253.860 1.00 0.00 C +ATOM 22 CA PHE A 22 245.274 257.020 252.995 1.00 0.00 C +ATOM 23 CA GLN A 23 241.838 255.382 252.831 1.00 0.00 C +ATOM 24 CA CYS A 24 239.791 254.105 249.882 1.00 0.00 C +ATOM 25 CA LYS A 25 239.200 253.811 246.130 1.00 0.00 C +ATOM 26 CA THR A 26 236.267 253.658 243.702 1.00 0.00 C +ATOM 27 CA CYS A 27 234.300 256.920 243.795 1.00 0.00 C +ATOM 28 CA GLN A 28 231.534 259.023 245.358 1.00 0.00 C +ATOM 29 CA ARG A 29 229.463 262.219 245.258 1.00 0.00 C +ATOM 30 CA LYS A 30 226.952 264.828 244.072 1.00 0.00 C +ATOM 31 CA PHE A 31 223.959 265.645 246.283 1.00 0.00 C +ATOM 32 CA SER A 32 220.394 265.720 244.941 1.00 0.00 C +ATOM 33 CA ARG A 33 218.851 269.177 244.512 1.00 0.00 C +TER 34 ARG A 33 +END diff --git a/Mammals/Q401N3/Q401N3.dcd b/Mammals/Q401N3/Q401N3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..28f3567e7570d93b0198d6b9902e991706cf1e98 --- /dev/null +++ b/Mammals/Q401N3/Q401N3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b9f57060d709389aca9bb541b413a05283c1ee5aa9299573b07cdd114d0af6f3 +size 5360276 diff --git a/Mammals/Q401N3/top.pdb b/Mammals/Q401N3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..441f508de874e1b367920af5823d0d32d0954e16 --- /dev/null +++ b/Mammals/Q401N3/top.pdb @@ -0,0 +1,42 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ASN A 1 262.658 227.969 229.017 1.00 0.00 C +ATOM 2 CA VAL A 2 260.701 230.855 230.550 1.00 0.00 C +ATOM 3 CA PRO A 3 258.537 229.504 233.381 1.00 0.00 C +ATOM 4 CA LYS A 4 255.112 231.066 232.791 1.00 0.00 C +ATOM 5 CA PRO A 5 252.924 234.051 231.889 1.00 0.00 C +ATOM 6 CA GLY A 6 250.226 236.539 232.911 1.00 0.00 C +ATOM 7 CA HIS A 7 248.875 239.151 235.335 1.00 0.00 C +ATOM 8 CA LYS A 8 250.016 241.429 238.167 1.00 0.00 C +ATOM 9 CA ARG A 9 248.951 240.543 241.717 1.00 0.00 C +ATOM 10 CA THR A 10 248.813 239.793 245.449 1.00 0.00 C +ATOM 11 CA ASP A 11 251.329 238.156 247.795 1.00 0.00 C +ATOM 12 CA SER A 12 254.775 238.341 246.182 1.00 0.00 C +ATOM 13 CA THR A 13 256.932 235.240 245.681 1.00 0.00 C +ATOM 14 CA HIS A 14 260.544 236.322 246.228 1.00 0.00 C +ATOM 15 CA SER A 15 260.808 239.717 247.936 1.00 0.00 C +ATOM 16 CA SER A 16 264.009 241.562 248.867 1.00 0.00 C +ATOM 17 CA ASN A 17 263.373 244.070 251.663 1.00 0.00 C +ATOM 18 CA GLU A 18 260.163 246.004 252.349 1.00 0.00 C +ATOM 19 CA SER A 19 257.221 248.418 252.526 1.00 0.00 C +ATOM 20 CA GLU A 20 254.973 251.473 252.883 1.00 0.00 C +ATOM 21 CA TYR A 21 252.092 253.455 251.370 1.00 0.00 C +ATOM 22 CA THR A 22 248.507 252.167 251.304 1.00 0.00 C +ATOM 23 CA PHE A 23 246.087 252.914 254.150 1.00 0.00 C +ATOM 24 CA SER A 24 245.898 255.915 256.490 1.00 0.00 C +ATOM 25 CA SER A 25 245.125 256.166 260.213 1.00 0.00 C +ATOM 26 CA GLU A 26 242.349 255.262 262.661 1.00 0.00 C +ATOM 27 CA ILE A 27 244.094 253.603 265.614 1.00 0.00 C +ATOM 28 CA ALA A 28 246.768 255.947 266.982 1.00 0.00 C +ATOM 29 CA GLU A 29 246.825 259.749 266.746 1.00 0.00 C +ATOM 30 CA THR A 30 247.138 263.505 266.184 1.00 0.00 C +ATOM 31 CA GLU A 31 246.509 266.961 264.709 1.00 0.00 C +ATOM 32 CA ASP A 32 243.934 269.029 262.809 1.00 0.00 C +ATOM 33 CA ILE A 33 242.751 269.442 259.211 1.00 0.00 C +ATOM 34 CA PRO A 34 240.816 271.193 256.435 1.00 0.00 C +ATOM 35 CA SER A 35 238.964 274.511 256.153 1.00 0.00 C +ATOM 36 CA ARG A 36 236.474 275.243 253.364 1.00 0.00 C +ATOM 37 CA THR A 37 233.181 273.772 252.136 1.00 0.00 C +ATOM 38 CA GLU A 38 231.548 270.960 250.151 1.00 0.00 C +TER 39 GLU A 38 +END diff --git a/Mammals/Q49AM6/Q49AM6.dcd b/Mammals/Q49AM6/Q49AM6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..ac9a24405bbbe26ae5f0a76d975886db86329c26 --- /dev/null +++ b/Mammals/Q49AM6/Q49AM6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e9c499235286b74a9f3a31e68abb9a39d9d67a875bb20d838b854e260e870f90 +size 168400276 diff --git a/Mammals/Q49AM6/top.pdb b/Mammals/Q49AM6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3d37c8e73442662789a1bef472d10373fdc56f27 --- /dev/null +++ b/Mammals/Q49AM6/top.pdb @@ -0,0 +1,699 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 1590.000 1590.000 1590.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 734.485 783.608 806.953 1.00 0.00 C +ATOM 2 CA GLY A 2 732.324 786.034 804.963 1.00 0.00 C +ATOM 3 CA PRO A 3 728.973 785.739 803.175 1.00 0.00 C +ATOM 4 CA PRO A 4 726.579 788.573 802.308 1.00 0.00 C +ATOM 5 CA GLY A 5 725.815 790.478 799.098 1.00 0.00 C +ATOM 6 CA PRO A 6 725.371 788.824 795.695 1.00 0.00 C +ATOM 7 CA PRO A 7 726.152 791.209 792.828 1.00 0.00 C +ATOM 8 CA GLY A 8 727.017 790.877 789.132 1.00 0.00 C +ATOM 9 CA PHE A 9 728.939 793.675 787.404 1.00 0.00 C +ATOM 10 CA PRO A 10 731.564 795.105 785.041 1.00 0.00 C +ATOM 11 CA GLY A 11 731.726 797.928 782.488 1.00 0.00 C +ATOM 12 CA GLU A 12 732.618 801.630 782.613 1.00 0.00 C +ATOM 13 CA ARG A 13 732.845 802.915 779.033 1.00 0.00 C +ATOM 14 CA GLY A 14 732.259 803.880 775.394 1.00 0.00 C +ATOM 15 CA GLN A 15 730.202 801.785 772.966 1.00 0.00 C +ATOM 16 CA LYS A 16 729.821 798.215 771.690 1.00 0.00 C +ATOM 17 CA GLY A 17 730.953 795.595 774.213 1.00 0.00 C +ATOM 18 CA ASP A 18 731.427 792.303 776.072 1.00 0.00 C +ATOM 19 CA GLU A 19 734.590 792.036 778.179 1.00 0.00 C +ATOM 20 CA GLY A 20 736.668 794.905 779.582 1.00 0.00 C +ATOM 21 CA PRO A 21 740.132 794.812 777.998 1.00 0.00 C +ATOM 22 CA PRO A 22 742.609 794.306 775.148 1.00 0.00 C +ATOM 23 CA GLY A 23 744.062 797.475 773.613 1.00 0.00 C +ATOM 24 CA ILE A 24 747.662 796.826 772.546 1.00 0.00 C +ATOM 25 CA SER A 25 749.967 794.744 774.751 1.00 0.00 C +ATOM 26 CA ILE A 26 753.698 795.137 775.419 1.00 0.00 C +ATOM 27 CA PRO A 27 757.175 794.720 776.919 1.00 0.00 C +ATOM 28 CA GLY A 28 759.260 791.671 777.853 1.00 0.00 C +ATOM 29 CA PRO A 29 762.965 790.869 778.235 1.00 0.00 C +ATOM 30 CA PRO A 30 764.985 787.741 779.045 1.00 0.00 C +ATOM 31 CA GLY A 31 766.521 784.581 777.572 1.00 0.00 C +ATOM 32 CA LEU A 32 770.087 785.232 776.399 1.00 0.00 C +ATOM 33 CA ASP A 33 773.191 783.671 774.835 1.00 0.00 C +ATOM 34 CA GLY A 34 776.463 781.776 774.362 1.00 0.00 C +ATOM 35 CA GLN A 35 778.084 778.621 772.972 1.00 0.00 C +ATOM 36 CA PRO A 36 781.785 778.933 773.822 1.00 0.00 C +ATOM 37 CA GLY A 37 783.093 776.706 776.623 1.00 0.00 C +ATOM 38 CA ALA A 38 782.252 774.016 779.187 1.00 0.00 C +ATOM 39 CA PRO A 39 782.917 774.561 782.899 1.00 0.00 C +ATOM 40 CA GLY A 40 784.312 778.075 783.376 1.00 0.00 C +ATOM 41 CA LEU A 41 781.620 780.600 784.323 1.00 0.00 C +ATOM 42 CA PRO A 42 780.688 782.278 787.614 1.00 0.00 C +ATOM 43 CA GLY A 43 778.594 780.013 789.851 1.00 0.00 C +ATOM 44 CA PRO A 44 776.554 778.395 792.632 1.00 0.00 C +ATOM 45 CA PRO A 45 778.004 775.123 793.939 1.00 0.00 C +ATOM 46 CA GLY A 46 780.510 774.830 796.794 1.00 0.00 C +ATOM 47 CA PRO A 47 781.284 775.179 800.508 1.00 0.00 C +ATOM 48 CA ALA A 48 785.034 774.741 801.021 1.00 0.00 C +ATOM 49 CA GLY A 49 787.639 777.436 800.337 1.00 0.00 C +ATOM 50 CA PRO A 50 790.346 777.168 797.670 1.00 0.00 C +ATOM 51 CA HIS A 51 791.893 774.048 796.123 1.00 0.00 C +ATOM 52 CA ILE A 52 794.593 771.524 795.198 1.00 0.00 C +ATOM 53 CA PRO A 53 796.913 768.608 795.990 1.00 0.00 C +ATOM 54 CA PRO A 54 796.891 765.182 794.323 1.00 0.00 C +ATOM 55 CA SER A 55 797.861 762.427 796.770 1.00 0.00 C +ATOM 56 CA ASP A 56 801.399 761.310 795.902 1.00 0.00 C +ATOM 57 CA GLU A 57 803.300 761.253 792.600 1.00 0.00 C +ATOM 58 CA ILE A 58 804.144 764.620 791.031 1.00 0.00 C +ATOM 59 CA CYS A 59 805.460 767.408 793.270 1.00 0.00 C +ATOM 60 CA GLU A 60 806.922 770.736 794.411 1.00 0.00 C +ATOM 61 CA PRO A 61 805.645 774.305 794.031 1.00 0.00 C +ATOM 62 CA GLY A 62 803.374 777.345 793.685 1.00 0.00 C +ATOM 63 CA PRO A 63 804.207 779.910 790.994 1.00 0.00 C +ATOM 64 CA PRO A 64 803.543 783.621 791.547 1.00 0.00 C +ATOM 65 CA GLY A 65 804.824 786.020 788.880 1.00 0.00 C +ATOM 66 CA PRO A 66 804.141 789.628 787.863 1.00 0.00 C +ATOM 67 CA PRO A 67 802.631 793.102 787.455 1.00 0.00 C +ATOM 68 CA GLY A 68 798.954 793.213 788.447 1.00 0.00 C +ATOM 69 CA SER A 69 797.500 793.717 791.933 1.00 0.00 C +ATOM 70 CA PRO A 70 799.845 794.634 794.792 1.00 0.00 C +ATOM 71 CA GLY A 71 802.041 797.681 795.429 1.00 0.00 C +ATOM 72 CA ASP A 72 805.704 796.649 795.239 1.00 0.00 C +ATOM 73 CA LYS A 73 808.797 794.920 793.838 1.00 0.00 C +ATOM 74 CA GLY A 74 809.733 792.902 790.746 1.00 0.00 C +ATOM 75 CA LEU A 75 812.388 791.134 788.661 1.00 0.00 C +ATOM 76 CA GLN A 76 811.860 790.900 784.895 1.00 0.00 C +ATOM 77 CA GLY A 77 813.045 789.886 781.419 1.00 0.00 C +ATOM 78 CA GLU A 78 816.126 789.266 779.265 1.00 0.00 C +ATOM 79 CA GLN A 79 818.103 786.446 777.634 1.00 0.00 C +ATOM 80 CA GLY A 80 819.710 783.314 776.179 1.00 0.00 C +ATOM 81 CA VAL A 81 819.109 782.425 772.523 1.00 0.00 C +ATOM 82 CA LYS A 82 817.536 779.661 770.425 1.00 0.00 C +ATOM 83 CA GLY A 83 818.412 778.420 766.931 1.00 0.00 C +ATOM 84 CA ASP A 84 819.061 779.452 763.321 1.00 0.00 C +ATOM 85 CA LYS A 85 821.119 779.408 760.114 1.00 0.00 C +ATOM 86 CA GLY A 86 820.003 780.696 756.706 1.00 0.00 C +ATOM 87 CA ASP A 87 819.236 779.657 753.122 1.00 0.00 C +ATOM 88 CA THR A 88 818.443 778.595 749.550 1.00 0.00 C +ATOM 89 CA CYS A 89 820.025 778.993 746.107 1.00 0.00 C +ATOM 90 CA PHE A 90 821.749 775.818 744.896 1.00 0.00 C +ATOM 91 CA ASN A 91 822.716 774.548 741.437 1.00 0.00 C +ATOM 92 CA CYS A 92 823.633 773.210 737.989 1.00 0.00 C +ATOM 93 CA ILE A 93 825.778 771.762 735.193 1.00 0.00 C +ATOM 94 CA GLY A 94 825.757 771.343 731.406 1.00 0.00 C +ATOM 95 CA THR A 95 823.264 773.805 729.911 1.00 0.00 C +ATOM 96 CA GLY A 96 819.738 774.336 728.568 1.00 0.00 C +ATOM 97 CA ILE A 97 818.147 776.948 730.841 1.00 0.00 C +ATOM 98 CA SER A 98 815.956 780.061 730.682 1.00 0.00 C +ATOM 99 CA GLY A 99 812.742 780.549 728.697 1.00 0.00 C +ATOM 100 CA PRO A 100 809.962 783.069 729.362 1.00 0.00 C +ATOM 101 CA PRO A 101 808.667 784.065 732.804 1.00 0.00 C +ATOM 102 CA GLY A 102 805.260 783.353 734.354 1.00 0.00 C +ATOM 103 CA GLN A 103 801.797 782.353 735.587 1.00 0.00 C +ATOM 104 CA PRO A 104 798.844 782.818 737.949 1.00 0.00 C +ATOM 105 CA GLY A 105 796.334 785.669 738.248 1.00 0.00 C +ATOM 106 CA LEU A 106 793.906 786.182 735.357 1.00 0.00 C +ATOM 107 CA PRO A 107 790.809 787.029 733.307 1.00 0.00 C +ATOM 108 CA GLY A 108 788.302 784.194 733.749 1.00 0.00 C +ATOM 109 CA LEU A 109 786.146 784.004 736.884 1.00 0.00 C +ATOM 110 CA PRO A 110 787.171 783.087 740.437 1.00 0.00 C +ATOM 111 CA GLY A 111 789.941 785.361 741.729 1.00 0.00 C +ATOM 112 CA PRO A 112 790.689 785.625 745.456 1.00 0.00 C +ATOM 113 CA PRO A 113 789.442 786.071 749.028 1.00 0.00 C +ATOM 114 CA GLY A 114 790.296 785.890 752.736 1.00 0.00 C +ATOM 115 CA SER A 115 791.217 789.190 754.402 1.00 0.00 C +ATOM 116 CA LEU A 116 792.686 788.237 757.786 1.00 0.00 C +ATOM 117 CA GLY A 117 793.063 787.696 761.539 1.00 0.00 C +ATOM 118 CA PHE A 118 792.138 784.102 762.400 1.00 0.00 C +ATOM 119 CA PRO A 119 793.787 781.267 764.339 1.00 0.00 C +ATOM 120 CA GLY A 120 796.102 780.480 767.261 1.00 0.00 C +ATOM 121 CA GLN A 121 797.139 782.134 770.533 1.00 0.00 C +ATOM 122 CA LYS A 122 796.922 781.354 774.256 1.00 0.00 C +ATOM 123 CA GLY A 123 795.834 779.301 777.275 1.00 0.00 C +ATOM 124 CA GLU A 124 793.127 780.008 779.861 1.00 0.00 C +ATOM 125 CA LYS A 125 790.355 782.005 781.547 1.00 0.00 C +ATOM 126 CA GLY A 126 787.902 784.919 781.471 1.00 0.00 C +ATOM 127 CA GLN A 127 785.931 787.980 780.347 1.00 0.00 C +ATOM 128 CA ALA A 128 784.205 791.032 781.838 1.00 0.00 C +ATOM 129 CA GLY A 129 782.360 794.211 780.837 1.00 0.00 C +ATOM 130 CA ALA A 130 781.644 797.902 781.458 1.00 0.00 C +ATOM 131 CA THR A 131 784.793 800.044 781.382 1.00 0.00 C +ATOM 132 CA GLY A 132 784.843 803.066 783.703 1.00 0.00 C +ATOM 133 CA PRO A 133 782.817 806.174 782.836 1.00 0.00 C +ATOM 134 CA LYS A 134 779.217 806.771 781.740 1.00 0.00 C +ATOM 135 CA GLY A 135 776.749 803.960 782.464 1.00 0.00 C +ATOM 136 CA LEU A 136 775.519 803.437 786.032 1.00 0.00 C +ATOM 137 CA PRO A 137 776.509 803.746 789.698 1.00 0.00 C +ATOM 138 CA GLY A 138 775.355 807.078 791.142 1.00 0.00 C +ATOM 139 CA ILE A 139 774.946 810.854 791.434 1.00 0.00 C +ATOM 140 CA PRO A 140 777.269 813.803 792.085 1.00 0.00 C +ATOM 141 CA GLY A 141 777.803 817.568 791.861 1.00 0.00 C +ATOM 142 CA ALA A 142 779.819 820.464 790.424 1.00 0.00 C +ATOM 143 CA PRO A 143 778.353 823.879 789.582 1.00 0.00 C +ATOM 144 CA GLY A 144 774.652 823.193 788.992 1.00 0.00 C +ATOM 145 CA ALA A 145 771.912 822.013 786.621 1.00 0.00 C +ATOM 146 CA PRO A 146 769.245 822.589 783.962 1.00 0.00 C +ATOM 147 CA GLY A 147 766.527 823.094 781.340 1.00 0.00 C +ATOM 148 CA PHE A 148 762.879 822.627 780.346 1.00 0.00 C +ATOM 149 CA PRO A 149 762.275 822.241 776.604 1.00 0.00 C +ATOM 150 CA GLY A 150 763.550 818.987 775.087 1.00 0.00 C +ATOM 151 CA SER A 151 765.010 816.154 777.175 1.00 0.00 C +ATOM 152 CA LYS A 152 765.811 813.281 779.545 1.00 0.00 C +ATOM 153 CA GLY A 153 767.881 810.874 777.437 1.00 0.00 C +ATOM 154 CA GLU A 154 771.575 810.033 777.839 1.00 0.00 C +ATOM 155 CA PRO A 155 773.537 813.057 779.073 1.00 0.00 C +ATOM 156 CA GLY A 156 776.305 815.673 778.959 1.00 0.00 C +ATOM 157 CA ASP A 157 778.475 817.088 781.753 1.00 0.00 C +ATOM 158 CA ILE A 158 782.110 816.043 782.213 1.00 0.00 C +ATOM 159 CA LEU A 159 784.174 814.108 784.766 1.00 0.00 C +ATOM 160 CA THR A 160 786.430 811.044 784.583 1.00 0.00 C +ATOM 161 CA PHE A 161 789.445 808.822 785.282 1.00 0.00 C +ATOM 162 CA PRO A 162 790.520 805.170 785.108 1.00 0.00 C +ATOM 163 CA GLY A 163 793.472 804.540 787.433 1.00 0.00 C +ATOM 164 CA MET A 164 796.531 803.651 789.522 1.00 0.00 C +ATOM 165 CA LYS A 165 798.608 804.180 792.672 1.00 0.00 C +ATOM 166 CA GLY A 166 798.590 804.433 796.474 1.00 0.00 C +ATOM 167 CA ASP A 167 799.982 803.080 799.752 1.00 0.00 C +ATOM 168 CA LYS A 168 800.056 805.977 802.225 1.00 0.00 C +ATOM 169 CA GLY A 169 800.995 807.509 805.585 1.00 0.00 C +ATOM 170 CA GLU A 170 803.271 806.012 808.248 1.00 0.00 C +ATOM 171 CA LEU A 171 804.311 806.596 811.867 1.00 0.00 C +ATOM 172 CA GLY A 172 801.703 807.759 814.389 1.00 0.00 C +ATOM 173 CA SER A 173 802.515 811.144 815.938 1.00 0.00 C +ATOM 174 CA PRO A 174 801.981 811.839 819.646 1.00 0.00 C +ATOM 175 CA GLY A 175 803.593 815.054 820.904 1.00 0.00 C +ATOM 176 CA ALA A 176 805.970 817.604 822.443 1.00 0.00 C +ATOM 177 CA PRO A 177 807.875 819.073 825.397 1.00 0.00 C +ATOM 178 CA GLY A 178 809.736 819.544 828.688 1.00 0.00 C +ATOM 179 CA LEU A 179 813.034 817.759 829.357 1.00 0.00 C +ATOM 180 CA PRO A 180 814.848 818.875 832.517 1.00 0.00 C +ATOM 181 CA GLY A 181 818.116 820.642 831.673 1.00 0.00 C +ATOM 182 CA LEU A 182 821.894 820.747 832.154 1.00 0.00 C +ATOM 183 CA PRO A 183 824.123 823.713 831.286 1.00 0.00 C +ATOM 184 CA GLY A 184 825.410 824.323 827.752 1.00 0.00 C +ATOM 185 CA THR A 185 829.010 825.531 827.440 1.00 0.00 C +ATOM 186 CA PRO A 186 831.368 827.254 829.886 1.00 0.00 C +ATOM 187 CA GLY A 187 834.725 828.977 830.412 1.00 0.00 C +ATOM 188 CA GLN A 188 835.426 832.657 829.719 1.00 0.00 C +ATOM 189 CA ASP A 189 838.964 833.654 828.718 1.00 0.00 C +ATOM 190 CA GLY A 190 841.311 835.381 831.173 1.00 0.00 C +ATOM 191 CA LEU A 191 841.660 839.120 830.526 1.00 0.00 C +ATOM 192 CA PRO A 192 841.660 840.465 826.962 1.00 0.00 C +ATOM 193 CA GLY A 193 843.668 842.752 824.669 1.00 0.00 C +ATOM 194 CA LEU A 194 841.902 843.465 821.369 1.00 0.00 C +ATOM 195 CA PRO A 195 839.253 845.200 819.251 1.00 0.00 C +ATOM 196 CA GLY A 196 839.197 847.351 816.107 1.00 0.00 C +ATOM 197 CA PRO A 197 839.404 845.418 812.830 1.00 0.00 C +ATOM 198 CA LYS A 198 841.497 846.742 809.935 1.00 0.00 C +ATOM 199 CA GLY A 199 840.937 846.279 806.195 1.00 0.00 C +ATOM 200 CA GLU A 200 838.191 847.022 803.661 1.00 0.00 C +ATOM 201 CA PRO A 201 835.656 847.768 800.916 1.00 0.00 C +ATOM 202 CA GLY A 202 833.226 846.650 798.204 1.00 0.00 C +ATOM 203 CA GLY A 203 835.206 845.694 795.092 1.00 0.00 C +ATOM 204 CA ILE A 204 835.391 843.296 792.138 1.00 0.00 C +ATOM 205 CA THR A 205 838.666 841.358 792.328 1.00 0.00 C +ATOM 206 CA PHE A 206 841.427 843.736 793.441 1.00 0.00 C +ATOM 207 CA LYS A 207 844.032 841.597 795.216 1.00 0.00 C +ATOM 208 CA GLY A 208 845.121 838.384 793.481 1.00 0.00 C +ATOM 209 CA GLU A 209 843.100 835.157 793.610 1.00 0.00 C +ATOM 210 CA ARG A 210 839.869 835.577 795.585 1.00 0.00 C +ATOM 211 CA GLY A 211 837.918 834.633 798.718 1.00 0.00 C +ATOM 212 CA PRO A 212 835.828 834.026 801.846 1.00 0.00 C +ATOM 213 CA PRO A 213 832.966 836.216 803.082 1.00 0.00 C +ATOM 214 CA GLY A 214 834.075 839.031 805.398 1.00 0.00 C +ATOM 215 CA ASN A 215 836.997 841.120 804.127 1.00 0.00 C +ATOM 216 CA PRO A 216 837.633 840.858 800.379 1.00 0.00 C +ATOM 217 CA GLY A 217 834.239 840.651 798.662 1.00 0.00 C +ATOM 218 CA LEU A 218 830.703 841.093 800.011 1.00 0.00 C +ATOM 219 CA PRO A 219 828.614 838.000 799.245 1.00 0.00 C +ATOM 220 CA GLY A 220 824.888 838.387 798.549 1.00 0.00 C +ATOM 221 CA LEU A 221 823.079 835.571 800.370 1.00 0.00 C +ATOM 222 CA PRO A 222 821.431 832.239 799.533 1.00 0.00 C +ATOM 223 CA GLY A 223 818.737 830.516 797.462 1.00 0.00 C +ATOM 224 CA ASN A 224 816.192 827.829 798.365 1.00 0.00 C +ATOM 225 CA ILE A 225 816.351 824.134 799.283 1.00 0.00 C +ATOM 226 CA GLY A 226 817.096 821.817 796.352 1.00 0.00 C +ATOM 227 CA PRO A 227 820.453 822.287 794.613 1.00 0.00 C +ATOM 228 CA MET A 228 822.796 819.451 795.606 1.00 0.00 C +ATOM 229 CA GLY A 229 824.819 816.785 793.786 1.00 0.00 C +ATOM 230 CA PRO A 230 827.401 814.867 791.743 1.00 0.00 C +ATOM 231 CA PRO A 231 830.539 816.348 790.169 1.00 0.00 C +ATOM 232 CA GLY A 232 833.155 813.849 788.975 1.00 0.00 C +ATOM 233 CA PHE A 233 836.648 812.480 788.308 1.00 0.00 C +ATOM 234 CA GLY A 234 839.706 810.233 787.971 1.00 0.00 C +ATOM 235 CA PRO A 235 842.375 808.114 789.674 1.00 0.00 C +ATOM 236 CA PRO A 236 844.555 808.443 792.781 1.00 0.00 C +ATOM 237 CA GLY A 237 845.669 810.616 795.706 1.00 0.00 C +ATOM 238 CA PRO A 238 848.913 812.577 795.326 1.00 0.00 C +ATOM 239 CA VAL A 239 852.102 810.540 794.883 1.00 0.00 C +ATOM 240 CA GLY A 240 851.914 806.744 795.153 1.00 0.00 C +ATOM 241 CA GLU A 241 853.794 804.387 797.482 1.00 0.00 C +ATOM 242 CA LYS A 242 856.156 805.921 800.047 1.00 0.00 C +ATOM 243 CA GLY A 243 859.924 806.069 800.596 1.00 0.00 C +ATOM 244 CA ILE A 244 861.154 807.916 803.693 1.00 0.00 C +ATOM 245 CA GLN A 245 864.346 809.790 804.594 1.00 0.00 C +ATOM 246 CA GLY A 246 867.906 810.588 805.694 1.00 0.00 C +ATOM 247 CA VAL A 247 869.131 809.805 809.216 1.00 0.00 C +ATOM 248 CA ALA A 248 869.250 812.030 812.306 1.00 0.00 C +ATOM 249 CA GLY A 249 868.868 809.876 815.425 1.00 0.00 C +ATOM 250 CA ASN A 250 865.374 809.276 816.821 1.00 0.00 C +ATOM 251 CA PRO A 251 865.548 808.264 820.490 1.00 0.00 C +ATOM 252 CA GLY A 252 862.806 806.089 821.996 1.00 0.00 C +ATOM 253 CA GLN A 253 861.743 802.492 822.669 1.00 0.00 C +ATOM 254 CA PRO A 254 861.740 800.266 819.577 1.00 0.00 C +ATOM 255 CA GLY A 255 864.692 797.910 819.072 1.00 0.00 C +ATOM 256 CA ILE A 256 865.138 794.126 819.031 1.00 0.00 C +ATOM 257 CA PRO A 257 865.366 792.948 815.415 1.00 0.00 C +ATOM 258 CA GLY A 258 861.843 791.746 814.598 1.00 0.00 C +ATOM 259 CA PRO A 259 860.381 789.155 812.218 1.00 0.00 C +ATOM 260 CA LYS A 260 861.920 786.047 810.641 1.00 0.00 C +ATOM 261 CA GLY A 261 864.240 784.739 807.916 1.00 0.00 C +ATOM 262 CA ASP A 262 864.559 780.988 807.329 1.00 0.00 C +ATOM 263 CA PRO A 263 863.703 778.125 804.966 1.00 0.00 C +ATOM 264 CA GLY A 264 864.101 774.359 804.547 1.00 0.00 C +ATOM 265 CA GLN A 265 862.227 772.154 807.026 1.00 0.00 C +ATOM 266 CA THR A 266 858.491 771.675 807.596 1.00 0.00 C +ATOM 267 CA ILE A 267 855.385 773.737 808.381 1.00 0.00 C +ATOM 268 CA THR A 268 855.784 777.465 807.705 1.00 0.00 C +ATOM 269 CA GLN A 269 852.910 779.103 805.813 1.00 0.00 C +ATOM 270 CA PRO A 270 849.863 778.945 803.532 1.00 0.00 C +ATOM 271 CA GLY A 271 846.348 779.645 804.826 1.00 0.00 C +ATOM 272 CA LYS A 272 846.110 781.680 808.038 1.00 0.00 C +ATOM 273 CA PRO A 273 843.172 783.590 809.534 1.00 0.00 C +ATOM 274 CA GLY A 274 843.534 787.362 809.929 1.00 0.00 C +ATOM 275 CA LEU A 275 846.591 789.625 810.143 1.00 0.00 C +ATOM 276 CA PRO A 276 850.076 789.117 808.689 1.00 0.00 C +ATOM 277 CA GLY A 277 851.826 792.445 809.308 1.00 0.00 C +ATOM 278 CA ASN A 278 849.408 794.903 810.928 1.00 0.00 C +ATOM 279 CA PRO A 279 850.434 797.118 813.853 1.00 0.00 C +ATOM 280 CA GLY A 280 851.715 797.612 817.407 1.00 0.00 C +ATOM 281 CA ARG A 281 853.388 800.563 819.143 1.00 0.00 C +ATOM 282 CA ASP A 282 855.337 800.438 822.414 1.00 0.00 C +ATOM 283 CA GLY A 283 855.685 803.393 824.794 1.00 0.00 C +ATOM 284 CA ASP A 284 855.642 801.855 828.280 1.00 0.00 C +ATOM 285 CA VAL A 285 857.584 798.600 827.890 1.00 0.00 C +ATOM 286 CA GLY A 286 859.498 795.902 825.999 1.00 0.00 C +ATOM 287 CA LEU A 287 859.661 792.108 826.311 1.00 0.00 C +ATOM 288 CA PRO A 288 859.146 788.593 827.689 1.00 0.00 C +ATOM 289 CA GLY A 289 857.179 785.346 828.008 1.00 0.00 C +ATOM 290 CA ASP A 290 854.630 785.353 830.840 1.00 0.00 C +ATOM 291 CA PRO A 291 855.068 788.506 832.933 1.00 0.00 C +ATOM 292 CA GLY A 292 856.641 791.950 833.366 1.00 0.00 C +ATOM 293 CA LEU A 293 859.937 793.855 833.512 1.00 0.00 C +ATOM 294 CA PRO A 294 863.544 794.621 834.469 1.00 0.00 C +ATOM 295 CA GLY A 295 866.798 795.555 832.720 1.00 0.00 C +ATOM 296 CA GLN A 296 866.125 798.957 831.142 1.00 0.00 C +ATOM 297 CA PRO A 297 868.116 802.136 830.471 1.00 0.00 C +ATOM 298 CA GLY A 298 871.343 800.967 828.816 1.00 0.00 C +ATOM 299 CA LEU A 299 874.995 802.033 829.014 1.00 0.00 C +ATOM 300 CA PRO A 300 877.550 799.505 827.749 1.00 0.00 C +ATOM 301 CA GLY A 301 876.725 795.823 828.276 1.00 0.00 C +ATOM 302 CA ILE A 302 879.132 794.443 830.887 1.00 0.00 C +ATOM 303 CA PRO A 303 881.968 792.532 832.566 1.00 0.00 C +ATOM 304 CA GLY A 304 883.466 789.059 833.019 1.00 0.00 C +ATOM 305 CA SER A 305 883.169 785.869 830.957 1.00 0.00 C +ATOM 306 CA LYS A 306 882.859 782.260 829.776 1.00 0.00 C +ATOM 307 CA GLY A 307 883.971 778.667 829.164 1.00 0.00 C +ATOM 308 CA GLU A 308 882.385 775.232 829.608 1.00 0.00 C +ATOM 309 CA PRO A 309 881.659 772.329 827.249 1.00 0.00 C +ATOM 310 CA GLY A 310 879.478 769.225 826.894 1.00 0.00 C +ATOM 311 CA ILE A 311 876.965 766.362 826.824 1.00 0.00 C +ATOM 312 CA PRO A 312 875.138 763.396 828.366 1.00 0.00 C +ATOM 313 CA GLY A 313 871.749 761.660 828.233 1.00 0.00 C +ATOM 314 CA ILE A 314 870.327 762.560 824.815 1.00 0.00 C +ATOM 315 CA GLY A 315 869.544 766.281 825.061 1.00 0.00 C +ATOM 316 CA LEU A 316 866.356 767.834 826.454 1.00 0.00 C +ATOM 317 CA PRO A 317 862.557 767.769 826.170 1.00 0.00 C +ATOM 318 CA GLY A 318 860.189 765.099 827.503 1.00 0.00 C +ATOM 319 CA PRO A 319 857.241 764.704 829.884 1.00 0.00 C +ATOM 320 CA PRO A 320 858.696 765.145 833.378 1.00 0.00 C +ATOM 321 CA GLY A 321 857.909 765.112 837.106 1.00 0.00 C +ATOM 322 CA PRO A 322 854.704 767.062 837.767 1.00 0.00 C +ATOM 323 CA LYS A 323 854.295 768.764 841.152 1.00 0.00 C +ATOM 324 CA GLY A 324 852.581 768.545 844.547 1.00 0.00 C +ATOM 325 CA PHE A 325 850.752 768.761 847.883 1.00 0.00 C +ATOM 326 CA PRO A 326 848.185 766.542 849.615 1.00 0.00 C +ATOM 327 CA GLY A 327 845.423 763.918 849.558 1.00 0.00 C +ATOM 328 CA ILE A 328 846.438 760.462 850.801 1.00 0.00 C +ATOM 329 CA PRO A 329 845.285 756.995 849.723 1.00 0.00 C +ATOM 330 CA GLY A 330 845.486 753.301 850.635 1.00 0.00 C +ATOM 331 CA PRO A 331 847.522 752.515 853.758 1.00 0.00 C +ATOM 332 CA PRO A 332 847.837 754.781 856.805 1.00 0.00 C +ATOM 333 CA GLY A 333 850.694 756.026 858.997 1.00 0.00 C +ATOM 334 CA ALA A 334 851.884 756.647 862.563 1.00 0.00 C +ATOM 335 CA PRO A 335 851.052 756.167 866.250 1.00 0.00 C +ATOM 336 CA GLY A 336 849.621 758.879 868.511 1.00 0.00 C +ATOM 337 CA THR A 337 849.903 758.667 872.304 1.00 0.00 C +ATOM 338 CA PRO A 338 848.249 757.552 875.550 1.00 0.00 C +ATOM 339 CA GLY A 339 850.984 756.542 878.003 1.00 0.00 C +ATOM 340 CA ARG A 340 852.239 752.946 877.905 1.00 0.00 C +ATOM 341 CA ILE A 341 855.629 752.791 879.637 1.00 0.00 C +ATOM 342 CA GLY A 342 858.510 754.538 877.859 1.00 0.00 C +ATOM 343 CA LEU A 343 858.577 758.212 878.864 1.00 0.00 C +ATOM 344 CA GLU A 344 857.982 761.066 881.317 1.00 0.00 C +ATOM 345 CA GLY A 345 856.933 764.206 883.202 1.00 0.00 C +ATOM 346 CA PRO A 346 858.012 767.538 884.702 1.00 0.00 C +ATOM 347 CA PRO A 347 857.106 770.278 887.189 1.00 0.00 C +ATOM 348 CA GLY A 348 856.398 773.946 887.938 1.00 0.00 C +ATOM 349 CA PRO A 349 855.596 776.183 884.960 1.00 0.00 C +ATOM 350 CA PRO A 350 854.906 779.914 885.307 1.00 0.00 C +ATOM 351 CA GLY A 351 852.965 783.171 884.929 1.00 0.00 C +ATOM 352 CA PHE A 352 851.413 785.466 882.314 1.00 0.00 C +ATOM 353 CA PRO A 353 847.906 786.609 881.363 1.00 0.00 C +ATOM 354 CA GLY A 354 846.287 784.988 878.318 1.00 0.00 C +ATOM 355 CA PRO A 355 845.420 781.327 877.718 1.00 0.00 C +ATOM 356 CA LYS A 356 847.271 778.049 878.308 1.00 0.00 C +ATOM 357 CA GLY A 357 850.504 777.174 876.492 1.00 0.00 C +ATOM 358 CA GLU A 358 853.432 777.122 878.930 1.00 0.00 C +ATOM 359 CA PRO A 359 856.219 779.713 879.122 1.00 0.00 C +ATOM 360 CA GLY A 360 856.499 782.707 876.783 1.00 0.00 C +ATOM 361 CA PHE A 361 859.127 785.447 877.100 1.00 0.00 C +ATOM 362 CA ALA A 362 860.752 787.986 874.770 1.00 0.00 C +ATOM 363 CA LEU A 363 864.215 788.764 873.387 1.00 0.00 C +ATOM 364 CA PRO A 364 866.748 788.835 870.541 1.00 0.00 C +ATOM 365 CA GLY A 365 867.176 785.864 868.195 1.00 0.00 C +ATOM 366 CA PRO A 366 868.978 787.252 865.139 1.00 0.00 C +ATOM 367 CA PRO A 367 866.424 787.817 862.368 1.00 0.00 C +ATOM 368 CA GLY A 368 867.786 790.242 859.764 1.00 0.00 C +ATOM 369 CA PRO A 369 870.082 793.132 860.711 1.00 0.00 C +ATOM 370 CA PRO A 370 871.455 796.686 860.672 1.00 0.00 C +ATOM 371 CA GLY A 371 870.966 798.593 857.411 1.00 0.00 C +ATOM 372 CA LEU A 372 868.296 800.683 855.672 1.00 0.00 C +ATOM 373 CA PRO A 373 864.529 800.588 856.237 1.00 0.00 C +ATOM 374 CA GLY A 374 861.798 803.225 856.554 1.00 0.00 C +ATOM 375 CA PHE A 375 860.498 805.634 859.205 1.00 0.00 C +ATOM 376 CA LYS A 376 860.430 806.157 862.978 1.00 0.00 C +ATOM 377 CA GLY A 377 859.808 805.312 866.641 1.00 0.00 C +ATOM 378 CA ALA A 378 862.117 807.345 868.889 1.00 0.00 C +ATOM 379 CA LEU A 379 865.462 807.698 867.100 1.00 0.00 C +ATOM 380 CA GLY A 380 868.817 807.028 865.424 1.00 0.00 C +ATOM 381 CA PRO A 381 870.105 803.787 863.889 1.00 0.00 C +ATOM 382 CA LYS A 382 873.137 802.620 861.899 1.00 0.00 C +ATOM 383 CA GLY A 383 876.047 802.348 859.454 1.00 0.00 C +ATOM 384 CA ASP A 384 878.847 800.071 858.234 1.00 0.00 C +ATOM 385 CA ARG A 385 880.318 797.411 860.531 1.00 0.00 C +ATOM 386 CA GLY A 386 879.741 793.733 859.724 1.00 0.00 C +ATOM 387 CA PHE A 387 881.064 790.510 858.182 1.00 0.00 C +ATOM 388 CA PRO A 388 880.666 788.610 854.904 1.00 0.00 C +ATOM 389 CA GLY A 389 880.461 786.467 851.760 1.00 0.00 C +ATOM 390 CA PRO A 390 880.553 782.713 852.404 1.00 0.00 C +ATOM 391 CA PRO A 391 879.208 779.218 851.701 1.00 0.00 C +ATOM 392 CA GLY A 392 878.893 775.469 851.099 1.00 0.00 C +ATOM 393 CA PRO A 393 877.497 771.981 850.468 1.00 0.00 C +ATOM 394 CA PRO A 394 874.779 771.070 852.978 1.00 0.00 C +ATOM 395 CA GLY A 395 874.558 769.710 856.530 1.00 0.00 C +ATOM 396 CA ARG A 396 877.600 769.514 858.815 1.00 0.00 C +ATOM 397 CA THR A 397 881.341 770.234 858.878 1.00 0.00 C +ATOM 398 CA GLY A 398 882.893 773.670 858.330 1.00 0.00 C +ATOM 399 CA LEU A 399 880.047 775.930 857.186 1.00 0.00 C +ATOM 400 CA ASP A 400 879.174 779.240 858.860 1.00 0.00 C +ATOM 401 CA GLY A 401 876.416 779.255 861.488 1.00 0.00 C +ATOM 402 CA LEU A 402 875.055 782.794 861.860 1.00 0.00 C +ATOM 403 CA PRO A 403 872.486 784.773 859.860 1.00 0.00 C +ATOM 404 CA GLY A 404 873.469 785.455 856.243 1.00 0.00 C +ATOM 405 CA PRO A 405 872.650 784.836 852.574 1.00 0.00 C +ATOM 406 CA LYS A 406 870.162 782.017 851.961 1.00 0.00 C +ATOM 407 CA GLY A 407 866.462 782.785 851.474 1.00 0.00 C +ATOM 408 CA ASP A 408 863.880 780.948 853.589 1.00 0.00 C +ATOM 409 CA VAL A 409 863.718 777.168 854.031 1.00 0.00 C +ATOM 410 CA GLY A 410 864.365 774.484 851.405 1.00 0.00 C +ATOM 411 CA PRO A 411 866.696 773.780 848.475 1.00 0.00 C +ATOM 412 CA ASN A 412 870.289 774.088 847.247 1.00 0.00 C +ATOM 413 CA GLY A 413 872.368 772.475 844.491 1.00 0.00 C +ATOM 414 CA GLN A 414 875.076 770.624 842.552 1.00 0.00 C +ATOM 415 CA PRO A 415 874.555 766.890 842.003 1.00 0.00 C +ATOM 416 CA GLY A 416 876.457 765.933 838.844 1.00 0.00 C +ATOM 417 CA PRO A 417 878.256 767.667 835.968 1.00 0.00 C +ATOM 418 CA MET A 418 876.100 767.909 832.835 1.00 0.00 C +ATOM 419 CA GLY A 419 872.305 768.133 833.095 1.00 0.00 C +ATOM 420 CA PRO A 420 871.307 770.176 836.152 1.00 0.00 C +ATOM 421 CA PRO A 421 870.994 773.791 837.315 1.00 0.00 C +ATOM 422 CA GLY A 422 867.523 774.716 838.583 1.00 0.00 C +ATOM 423 CA LEU A 423 864.146 774.880 836.826 1.00 0.00 C +ATOM 424 CA PRO A 424 862.976 771.839 834.852 1.00 0.00 C +ATOM 425 CA GLY A 425 859.322 771.387 835.833 1.00 0.00 C +ATOM 426 CA ILE A 426 855.797 772.727 835.291 1.00 0.00 C +ATOM 427 CA GLY A 427 852.433 774.498 835.540 1.00 0.00 C +ATOM 428 CA VAL A 428 850.833 775.943 832.398 1.00 0.00 C +ATOM 429 CA GLN A 429 847.884 775.072 830.148 1.00 0.00 C +ATOM 430 CA GLY A 430 849.311 772.854 827.399 1.00 0.00 C +ATOM 431 CA PRO A 431 847.834 771.066 824.376 1.00 0.00 C +ATOM 432 CA PRO A 432 846.787 768.468 821.794 1.00 0.00 C +ATOM 433 CA GLY A 433 844.631 765.778 823.417 1.00 0.00 C +ATOM 434 CA PRO A 434 845.206 762.018 823.638 1.00 0.00 C +ATOM 435 CA PRO A 435 848.254 759.786 824.131 1.00 0.00 C +ATOM 436 CA GLY A 436 850.344 756.619 823.783 1.00 0.00 C +ATOM 437 CA ILE A 437 851.542 755.118 820.493 1.00 0.00 C +ATOM 438 CA PRO A 438 848.332 754.202 818.656 1.00 0.00 C +ATOM 439 CA GLY A 439 848.227 750.394 818.603 1.00 0.00 C +ATOM 440 CA PRO A 440 850.704 747.501 818.722 1.00 0.00 C +ATOM 441 CA ILE A 441 852.626 745.442 816.157 1.00 0.00 C +ATOM 442 CA GLY A 442 854.238 742.208 814.951 1.00 0.00 C +ATOM 443 CA GLN A 443 854.033 741.786 811.170 1.00 0.00 C +ATOM 444 CA PRO A 444 852.693 744.020 808.389 1.00 0.00 C +ATOM 445 CA GLY A 445 855.657 746.234 807.476 1.00 0.00 C +ATOM 446 CA LEU A 446 854.685 749.468 805.713 1.00 0.00 C +ATOM 447 CA HIS A 447 854.946 751.854 802.754 1.00 0.00 C +ATOM 448 CA GLY A 448 853.224 755.113 801.790 1.00 0.00 C +ATOM 449 CA ILE A 449 855.433 756.852 799.218 1.00 0.00 C +ATOM 450 CA PRO A 450 854.094 760.034 797.605 1.00 0.00 C +ATOM 451 CA GLY A 451 852.562 762.043 794.754 1.00 0.00 C +ATOM 452 CA GLU A 452 852.473 765.838 795.082 1.00 0.00 C +ATOM 453 CA LYS A 453 849.569 766.555 797.441 1.00 0.00 C +ATOM 454 CA GLY A 454 849.983 768.724 800.546 1.00 0.00 C +ATOM 455 CA ASP A 455 846.844 770.401 801.908 1.00 0.00 C +ATOM 456 CA PRO A 456 843.198 770.076 800.851 1.00 0.00 C +ATOM 457 CA GLY A 457 839.404 769.727 800.902 1.00 0.00 C +ATOM 458 CA PRO A 458 836.104 771.329 799.874 1.00 0.00 C +ATOM 459 CA PRO A 459 832.975 769.652 798.491 1.00 0.00 C +ATOM 460 CA GLY A 460 829.508 770.611 797.236 1.00 0.00 C +ATOM 461 CA LEU A 461 827.068 769.920 794.393 1.00 0.00 C +ATOM 462 CA ASP A 462 824.173 767.508 794.955 1.00 0.00 C +ATOM 463 CA VAL A 463 823.576 765.006 797.767 1.00 0.00 C +ATOM 464 CA PRO A 464 821.133 762.089 797.951 1.00 0.00 C +ATOM 465 CA GLY A 465 819.409 760.352 795.031 1.00 0.00 C +ATOM 466 CA PRO A 466 816.517 758.161 793.866 1.00 0.00 C +ATOM 467 CA PRO A 467 813.030 759.320 794.873 1.00 0.00 C +ATOM 468 CA GLY A 468 809.385 759.297 793.767 1.00 0.00 C +ATOM 469 CA GLU A 469 809.082 759.659 789.986 1.00 0.00 C +ATOM 470 CA ARG A 470 810.802 760.325 786.653 1.00 0.00 C +ATOM 471 CA GLY A 471 813.494 762.912 785.893 1.00 0.00 C +ATOM 472 CA SER A 472 815.586 763.346 789.047 1.00 0.00 C +ATOM 473 CA PRO A 473 818.793 765.198 789.943 1.00 0.00 C +ATOM 474 CA GLY A 474 818.604 769.003 789.895 1.00 0.00 C +ATOM 475 CA ILE A 475 815.312 770.692 790.805 1.00 0.00 C +ATOM 476 CA PRO A 476 813.198 771.103 787.662 1.00 0.00 C +ATOM 477 CA GLY A 477 813.186 773.796 784.966 1.00 0.00 C +ATOM 478 CA ALA A 478 814.978 774.618 781.705 1.00 0.00 C +ATOM 479 CA PRO A 479 814.354 773.560 778.099 1.00 0.00 C +ATOM 480 CA GLY A 480 810.799 774.242 776.910 1.00 0.00 C +ATOM 481 CA PRO A 481 808.078 775.151 774.404 1.00 0.00 C +ATOM 482 CA ILE A 482 804.758 775.011 776.268 1.00 0.00 C +ATOM 483 CA GLY A 483 801.806 776.938 777.713 1.00 0.00 C +ATOM 484 CA PRO A 484 801.227 778.015 781.322 1.00 0.00 C +ATOM 485 CA PRO A 485 803.621 776.144 783.620 1.00 0.00 C +ATOM 486 CA GLY A 486 801.847 774.028 786.246 1.00 0.00 C +ATOM 487 CA SER A 487 798.835 774.999 788.369 1.00 0.00 C +ATOM 488 CA PRO A 488 795.076 774.638 788.873 1.00 0.00 C +ATOM 489 CA GLY A 489 792.531 772.147 787.518 1.00 0.00 C +ATOM 490 CA LEU A 490 789.690 769.624 787.798 1.00 0.00 C +ATOM 491 CA PRO A 491 787.780 766.605 786.473 1.00 0.00 C +ATOM 492 CA GLY A 492 786.688 765.482 783.000 1.00 0.00 C +ATOM 493 CA LYS A 493 788.195 767.625 780.234 1.00 0.00 C +ATOM 494 CA ALA A 494 786.221 768.107 777.011 1.00 0.00 C +ATOM 495 CA GLY A 495 783.568 769.232 774.518 1.00 0.00 C +ATOM 496 CA ALA A 496 780.090 767.902 775.325 1.00 0.00 C +ATOM 497 CA SER A 497 776.852 769.583 776.423 1.00 0.00 C +ATOM 498 CA GLY A 498 773.983 767.430 777.709 1.00 0.00 C +ATOM 499 CA PHE A 499 770.783 767.068 779.745 1.00 0.00 C +ATOM 500 CA PRO A 500 768.230 764.721 778.167 1.00 0.00 C +ATOM 501 CA GLY A 501 764.674 763.536 777.485 1.00 0.00 C +ATOM 502 CA THR A 502 762.274 765.823 775.607 1.00 0.00 C +ATOM 503 CA LYS A 503 758.658 766.894 775.069 1.00 0.00 C +ATOM 504 CA GLY A 504 755.812 768.874 776.649 1.00 0.00 C +ATOM 505 CA GLU A 505 754.738 771.430 779.263 1.00 0.00 C +ATOM 506 CA MET A 506 756.348 773.583 781.963 1.00 0.00 C +ATOM 507 CA GLY A 507 759.317 774.086 784.297 1.00 0.00 C +ATOM 508 CA MET A 508 759.897 775.206 787.892 1.00 0.00 C +ATOM 509 CA MET A 509 760.589 772.997 790.918 1.00 0.00 C +ATOM 510 CA GLY A 510 763.859 773.622 792.771 1.00 0.00 C +ATOM 511 CA PRO A 511 765.683 770.596 794.197 1.00 0.00 C +ATOM 512 CA PRO A 512 767.056 768.127 796.753 1.00 0.00 C +ATOM 513 CA GLY A 513 764.940 765.021 797.382 1.00 0.00 C +ATOM 514 CA PRO A 514 765.517 761.264 797.125 1.00 0.00 C +ATOM 515 CA PRO A 515 768.303 760.365 794.687 1.00 0.00 C +ATOM 516 CA GLY A 516 771.459 759.970 796.786 1.00 0.00 C +ATOM 517 CA PRO A 517 772.068 762.614 799.461 1.00 0.00 C +ATOM 518 CA LEU A 518 771.177 764.969 802.320 1.00 0.00 C +ATOM 519 CA GLY A 519 773.130 768.194 801.770 1.00 0.00 C +ATOM 520 CA ILE A 520 771.245 771.500 801.579 1.00 0.00 C +ATOM 521 CA PRO A 521 768.900 773.862 799.726 1.00 0.00 C +ATOM 522 CA GLY A 522 766.357 776.698 799.801 1.00 0.00 C +ATOM 523 CA ARG A 523 766.610 780.070 798.045 1.00 0.00 C +ATOM 524 CA SER A 524 763.680 782.029 796.598 1.00 0.00 C +ATOM 525 CA GLY A 525 763.920 783.623 793.146 1.00 0.00 C +ATOM 526 CA VAL A 526 762.525 781.566 790.259 1.00 0.00 C +ATOM 527 CA PRO A 527 764.119 781.985 786.824 1.00 0.00 C +ATOM 528 CA GLY A 528 765.674 782.187 783.351 1.00 0.00 C +ATOM 529 CA LEU A 529 769.399 781.547 783.828 1.00 0.00 C +ATOM 530 CA LYS A 530 769.589 779.383 786.958 1.00 0.00 C +ATOM 531 CA GLY A 531 771.872 776.495 785.975 1.00 0.00 C +ATOM 532 CA ASP A 532 770.584 775.182 782.639 1.00 0.00 C +ATOM 533 CA ASP A 533 771.815 775.976 779.122 1.00 0.00 C +ATOM 534 CA GLY A 534 771.858 777.825 775.791 1.00 0.00 C +ATOM 535 CA LEU A 535 770.693 778.072 772.172 1.00 0.00 C +ATOM 536 CA GLN A 536 769.477 776.576 768.886 1.00 0.00 C +ATOM 537 CA GLY A 537 768.340 778.232 765.648 1.00 0.00 C +ATOM 538 CA GLN A 538 764.823 779.213 764.561 1.00 0.00 C +ATOM 539 CA PRO A 539 763.120 782.077 762.713 1.00 0.00 C +ATOM 540 CA GLY A 540 764.403 785.579 761.934 1.00 0.00 C +ATOM 541 CA LEU A 541 764.915 786.106 758.195 1.00 0.00 C +ATOM 542 CA PRO A 542 761.721 785.285 756.286 1.00 0.00 C +ATOM 543 CA GLY A 543 758.073 785.406 755.196 1.00 0.00 C +ATOM 544 CA PRO A 544 755.570 787.602 753.344 1.00 0.00 C +ATOM 545 CA THR A 545 757.436 790.586 751.885 1.00 0.00 C +ATOM 546 CA GLY A 546 756.682 794.068 753.235 1.00 0.00 C +ATOM 547 CA GLU A 547 756.994 797.590 754.655 1.00 0.00 C +ATOM 548 CA LYS A 548 759.621 799.568 752.732 1.00 0.00 C +ATOM 549 CA GLY A 549 760.085 801.381 749.413 1.00 0.00 C +ATOM 550 CA SER A 550 760.954 805.040 750.026 1.00 0.00 C +ATOM 551 CA LYS A 551 757.737 806.922 749.238 1.00 0.00 C +ATOM 552 CA GLY A 552 757.643 809.823 751.707 1.00 0.00 C +ATOM 553 CA GLU A 553 756.159 809.365 755.186 1.00 0.00 C +ATOM 554 CA PRO A 554 756.204 806.257 757.390 1.00 0.00 C +ATOM 555 CA GLY A 555 754.720 803.251 755.580 1.00 0.00 C +ATOM 556 CA LEU A 556 752.137 803.463 752.787 1.00 0.00 C +ATOM 557 CA PRO A 557 750.282 805.904 750.525 1.00 0.00 C +ATOM 558 CA GLY A 558 750.948 808.435 747.756 1.00 0.00 C +ATOM 559 CA PRO A 559 751.023 806.874 744.281 1.00 0.00 C +ATOM 560 CA PRO A 560 750.417 809.136 741.275 1.00 0.00 C +ATOM 561 CA GLY A 561 748.793 808.374 737.914 1.00 0.00 C +ATOM 562 CA PRO A 562 748.137 808.239 734.163 1.00 0.00 C +ATOM 563 CA MET A 563 749.997 808.063 730.842 1.00 0.00 C +ATOM 564 CA ASP A 564 752.865 806.101 729.281 1.00 0.00 C +ATOM 565 CA PRO A 565 752.592 802.302 729.394 1.00 0.00 C +ATOM 566 CA ASN A 566 751.347 799.786 731.970 1.00 0.00 C +ATOM 567 CA LEU A 567 747.666 798.901 731.540 1.00 0.00 C +ATOM 568 CA LEU A 568 746.151 801.677 729.416 1.00 0.00 C +ATOM 569 CA GLY A 569 744.082 801.331 726.236 1.00 0.00 C +ATOM 570 CA SER A 570 743.991 799.480 722.907 1.00 0.00 C +ATOM 571 CA LYS A 571 741.902 797.517 720.397 1.00 0.00 C +ATOM 572 CA GLY A 572 738.778 795.534 719.491 1.00 0.00 C +ATOM 573 CA GLU A 573 738.135 794.518 715.875 1.00 0.00 C +ATOM 574 CA LYS A 574 739.209 793.336 712.416 1.00 0.00 C +ATOM 575 CA GLY A 575 742.439 791.389 711.872 1.00 0.00 C +ATOM 576 CA GLU A 576 745.454 792.773 709.998 1.00 0.00 C +ATOM 577 CA PRO A 577 744.423 794.629 706.835 1.00 0.00 C +ATOM 578 CA GLY A 578 744.670 797.741 704.651 1.00 0.00 C +ATOM 579 CA LEU A 579 743.772 796.668 701.107 1.00 0.00 C +ATOM 580 CA PRO A 580 741.027 798.490 699.193 1.00 0.00 C +ATOM 581 CA GLY A 581 737.305 798.061 698.503 1.00 0.00 C +ATOM 582 CA ILE A 582 735.395 801.356 698.426 1.00 0.00 C +ATOM 583 CA PRO A 583 733.755 804.731 699.089 1.00 0.00 C +ATOM 584 CA GLY A 584 734.917 806.064 702.464 1.00 0.00 C +ATOM 585 CA VAL A 585 737.619 804.003 704.187 1.00 0.00 C +ATOM 586 CA SER A 586 736.453 801.788 707.059 1.00 0.00 C +ATOM 587 CA GLY A 587 739.258 801.514 709.622 1.00 0.00 C +ATOM 588 CA PRO A 588 742.238 803.030 711.449 1.00 0.00 C +ATOM 589 CA LYS A 589 742.347 806.837 711.570 1.00 0.00 C +ATOM 590 CA GLY A 590 744.236 810.092 710.977 1.00 0.00 C +ATOM 591 CA TYR A 591 743.384 813.714 710.159 1.00 0.00 C +ATOM 592 CA GLN A 592 742.408 817.178 708.906 1.00 0.00 C +ATOM 593 CA GLY A 593 741.926 819.400 711.963 1.00 0.00 C +ATOM 594 CA LEU A 594 739.073 821.921 712.114 1.00 0.00 C +ATOM 595 CA PRO A 595 735.298 821.571 711.732 1.00 0.00 C +ATOM 596 CA GLY A 596 734.128 819.710 714.843 1.00 0.00 C +ATOM 597 CA ASP A 597 731.075 820.338 717.034 1.00 0.00 C +ATOM 598 CA PRO A 598 729.381 821.602 720.203 1.00 0.00 C +ATOM 599 CA GLY A 599 727.961 824.261 722.534 1.00 0.00 C +ATOM 600 CA GLN A 600 725.083 824.916 724.943 1.00 0.00 C +ATOM 601 CA PRO A 601 721.519 825.385 726.208 1.00 0.00 C +ATOM 602 CA GLY A 602 720.192 827.164 729.305 1.00 0.00 C +ATOM 603 CA LEU A 603 716.614 826.693 730.528 1.00 0.00 C +ATOM 604 CA SER A 604 713.192 827.318 728.974 1.00 0.00 C +ATOM 605 CA GLY A 605 710.483 825.834 731.203 1.00 0.00 C +ATOM 606 CA GLN A 606 708.002 823.034 730.480 1.00 0.00 C +ATOM 607 CA PRO A 607 704.887 823.257 732.662 1.00 0.00 C +ATOM 608 CA GLY A 608 702.155 821.752 734.850 1.00 0.00 C +ATOM 609 CA LEU A 609 701.903 822.745 738.520 1.00 0.00 C +ATOM 610 CA PRO A 610 701.175 826.438 739.106 1.00 0.00 C +ATOM 611 CA GLY A 611 703.199 829.665 739.021 1.00 0.00 C +ATOM 612 CA PRO A 612 703.329 831.112 742.543 1.00 0.00 C +ATOM 613 CA PRO A 613 702.755 834.389 744.400 1.00 0.00 C +ATOM 614 CA GLY A 614 700.551 835.670 747.232 1.00 0.00 C +ATOM 615 CA PRO A 615 696.850 836.409 746.712 1.00 0.00 C +ATOM 616 CA LYS A 616 694.549 836.475 749.748 1.00 0.00 C +ATOM 617 CA GLY A 617 694.987 834.010 752.620 1.00 0.00 C +ATOM 618 CA ASN A 618 695.602 831.143 755.052 1.00 0.00 C +ATOM 619 CA PRO A 619 695.331 827.437 755.892 1.00 0.00 C +ATOM 620 CA GLY A 620 695.703 826.581 759.586 1.00 0.00 C +ATOM 621 CA LEU A 621 693.836 824.178 761.877 1.00 0.00 C +ATOM 622 CA PRO A 622 690.460 822.832 760.732 1.00 0.00 C +ATOM 623 CA GLY A 623 687.697 825.332 761.522 1.00 0.00 C +ATOM 624 CA GLN A 624 684.361 824.844 763.298 1.00 0.00 C +ATOM 625 CA PRO A 625 682.024 821.870 762.841 1.00 0.00 C +ATOM 626 CA GLY A 626 682.213 819.948 766.125 1.00 0.00 C +ATOM 627 CA LEU A 627 681.213 819.725 769.794 1.00 0.00 C +ATOM 628 CA ILE A 628 679.340 818.789 772.977 1.00 0.00 C +ATOM 629 CA GLY A 629 676.634 817.095 775.057 1.00 0.00 C +ATOM 630 CA PRO A 630 673.314 818.892 775.568 1.00 0.00 C +ATOM 631 CA PRO A 631 671.613 820.237 778.701 1.00 0.00 C +ATOM 632 CA GLY A 632 673.488 820.961 781.938 1.00 0.00 C +ATOM 633 CA LEU A 633 671.927 819.840 785.228 1.00 0.00 C +ATOM 634 CA LYS A 634 671.598 818.932 788.914 1.00 0.00 C +ATOM 635 CA GLY A 635 671.608 821.114 792.038 1.00 0.00 C +ATOM 636 CA THR A 636 669.333 819.499 794.632 1.00 0.00 C +ATOM 637 CA ILE A 637 665.596 820.103 794.193 1.00 0.00 C +ATOM 638 CA GLY A 638 662.800 817.516 794.216 1.00 0.00 C +ATOM 639 CA ASP A 639 660.485 814.886 792.717 1.00 0.00 C +ATOM 640 CA MET A 640 656.868 815.670 791.811 1.00 0.00 C +ATOM 641 CA GLY A 641 654.899 818.609 793.226 1.00 0.00 C +ATOM 642 CA PHE A 642 654.738 821.833 791.202 1.00 0.00 C +ATOM 643 CA PRO A 643 651.201 822.286 789.861 1.00 0.00 C +ATOM 644 CA GLY A 644 649.977 825.692 791.053 1.00 0.00 C +ATOM 645 CA PRO A 645 647.103 827.966 790.011 1.00 0.00 C +ATOM 646 CA GLN A 646 645.105 830.768 791.644 1.00 0.00 C +ATOM 647 CA GLY A 647 641.394 830.036 791.186 1.00 0.00 C +ATOM 648 CA VAL A 648 640.600 827.976 788.081 1.00 0.00 C +ATOM 649 CA GLU A 649 642.121 828.006 784.588 1.00 0.00 C +ATOM 650 CA GLY A 650 644.702 825.824 782.829 1.00 0.00 C +ATOM 651 CA PRO A 651 646.447 823.588 780.284 1.00 0.00 C +ATOM 652 CA PRO A 652 650.228 823.806 779.872 1.00 0.00 C +ATOM 653 CA GLY A 653 651.580 827.294 780.594 1.00 0.00 C +ATOM 654 CA PRO A 654 649.881 829.493 783.200 1.00 0.00 C +ATOM 655 CA SER A 655 651.553 832.753 784.247 1.00 0.00 C +ATOM 656 CA GLY A 656 652.921 836.149 785.302 1.00 0.00 C +ATOM 657 CA VAL A 657 653.829 839.791 784.647 1.00 0.00 C +ATOM 658 CA PRO A 658 656.341 842.614 785.129 1.00 0.00 C +ATOM 659 CA GLY A 659 659.370 842.656 782.818 1.00 0.00 C +ATOM 660 CA GLN A 660 660.690 841.598 779.404 1.00 0.00 C +ATOM 661 CA PRO A 661 663.827 840.907 777.356 1.00 0.00 C +ATOM 662 CA GLY A 662 666.108 837.856 777.297 1.00 0.00 C +ATOM 663 CA SER A 663 667.641 836.602 780.551 1.00 0.00 C +ATOM 664 CA PRO A 664 668.343 834.211 783.433 1.00 0.00 C +ATOM 665 CA GLY A 665 667.776 831.180 785.671 1.00 0.00 C +ATOM 666 CA LEU A 666 665.596 829.065 787.972 1.00 0.00 C +ATOM 667 CA PRO A 667 662.975 826.690 789.388 1.00 0.00 C +ATOM 668 CA GLY A 668 662.850 822.888 789.179 1.00 0.00 C +ATOM 669 CA GLN A 669 661.459 820.524 786.535 1.00 0.00 C +ATOM 670 CA LYS A 670 661.940 821.739 782.956 1.00 0.00 C +ATOM 671 CA GLY A 671 664.794 821.533 780.440 1.00 0.00 C +ATOM 672 CA ASP A 672 667.185 824.271 779.300 1.00 0.00 C +ATOM 673 CA LYS A 673 668.405 826.882 776.807 1.00 0.00 C +ATOM 674 CA GLY A 674 671.024 827.763 774.183 1.00 0.00 C +ATOM 675 CA ASP A 675 674.828 827.570 774.270 1.00 0.00 C +ATOM 676 CA PRO A 676 678.531 826.867 774.823 1.00 0.00 C +ATOM 677 CA GLY A 677 680.712 829.695 776.151 1.00 0.00 C +ATOM 678 CA ILE A 678 681.217 832.140 779.029 1.00 0.00 C +ATOM 679 CA SER A 679 679.312 835.410 779.468 1.00 0.00 C +ATOM 680 CA SER A 680 675.514 835.702 779.369 1.00 0.00 C +ATOM 681 CA ILE A 681 672.792 834.766 776.873 1.00 0.00 C +ATOM 682 CA GLY A 682 671.181 835.475 773.494 1.00 0.00 C +ATOM 683 CA LEU A 683 669.847 836.887 770.216 1.00 0.00 C +ATOM 684 CA PRO A 684 670.686 839.890 768.026 1.00 0.00 C +ATOM 685 CA GLY A 685 672.460 839.089 764.751 1.00 0.00 C +ATOM 686 CA LEU A 686 671.654 841.689 762.085 1.00 0.00 C +ATOM 687 CA PRO A 687 673.456 842.841 758.932 1.00 0.00 C +ATOM 688 CA GLY A 688 675.356 840.646 756.464 1.00 0.00 C +ATOM 689 CA PRO A 689 678.152 839.929 753.977 1.00 0.00 C +ATOM 690 CA LYS A 690 681.833 839.667 754.924 1.00 0.00 C +ATOM 691 CA VAL A 691 682.083 841.158 758.421 1.00 0.00 C +ATOM 692 CA ILE A 692 682.837 840.962 762.150 1.00 0.00 C +ATOM 693 CA PHE A 693 684.857 837.763 762.599 1.00 0.00 C +ATOM 694 CA GLY A 694 684.860 834.189 761.279 1.00 0.00 C +ATOM 695 CA ILE A 695 686.260 832.015 758.480 1.00 0.00 C +TER 696 ILE A 695 +END diff --git a/Mammals/Q4A4D0/Q4A4D0.dcd b/Mammals/Q4A4D0/Q4A4D0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..7ebd06762eb6f7eac6df23d05ece076fd96f9a0c --- /dev/null +++ b/Mammals/Q4A4D0/Q4A4D0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7f59063367a6bfc4b645bf2f9d782b01164deeacd9c98cf944fb209652f09f64 +size 11480276 diff --git a/Mammals/Q4A4D0/top.pdb b/Mammals/Q4A4D0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..123a0e3144a15cf93f90c943f863559dfb8812b5 --- /dev/null +++ b/Mammals/Q4A4D0/top.pdb @@ -0,0 +1,93 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA SER A 1 319.388 230.054 242.338 1.00 0.00 C +ATOM 2 CA SER A 2 317.084 232.806 241.058 1.00 0.00 C +ATOM 3 CA PHE A 3 314.365 233.511 238.485 1.00 0.00 C +ATOM 4 CA THR A 4 312.853 236.877 237.535 1.00 0.00 C +ATOM 5 CA THR A 5 309.121 237.287 238.182 1.00 0.00 C +ATOM 6 CA SER A 6 305.874 235.499 239.063 1.00 0.00 C +ATOM 7 CA SER A 7 302.846 237.155 240.676 1.00 0.00 C +ATOM 8 CA GLY A 8 302.205 239.565 243.556 1.00 0.00 C +ATOM 9 CA ILE A 9 298.470 240.218 243.931 1.00 0.00 C +ATOM 10 CA TYR A 10 296.895 243.363 245.395 1.00 0.00 C +ATOM 11 CA THR A 11 293.110 243.669 245.700 1.00 0.00 C +ATOM 12 CA GLY A 12 289.717 244.103 247.379 1.00 0.00 C +ATOM 13 CA ASN A 13 289.238 242.609 250.850 1.00 0.00 C +ATOM 14 CA ASN A 14 285.908 241.509 252.340 1.00 0.00 C +ATOM 15 CA SER A 15 284.068 240.128 255.377 1.00 0.00 C +ATOM 16 CA LEU A 16 282.215 237.887 257.838 1.00 0.00 C +ATOM 17 CA THR A 17 279.121 238.218 260.037 1.00 0.00 C +ATOM 18 CA ASN A 18 280.189 238.548 263.680 1.00 0.00 C +ATOM 19 CA SER A 19 278.388 236.122 266.002 1.00 0.00 C +ATOM 20 CA SER A 20 277.360 232.515 266.674 1.00 0.00 C +ATOM 21 CA GLY A 21 275.079 230.028 264.906 1.00 0.00 C +ATOM 22 CA PHE A 22 271.292 229.689 264.661 1.00 0.00 C +ATOM 23 CA ASN A 23 267.817 231.225 264.377 1.00 0.00 C +ATOM 24 CA SER A 24 265.561 231.831 261.368 1.00 0.00 C +ATOM 25 CA SER A 25 265.824 235.386 260.022 1.00 0.00 C +ATOM 26 CA GLN A 26 263.941 237.718 257.670 1.00 0.00 C +ATOM 27 CA GLN A 27 260.538 237.674 255.957 1.00 0.00 C +ATOM 28 CA ASP A 28 258.474 237.909 252.763 1.00 0.00 C +ATOM 29 CA TYR A 29 258.122 241.573 251.777 1.00 0.00 C +ATOM 30 CA PRO A 30 257.994 243.044 248.265 1.00 0.00 C +ATOM 31 CA SER A 31 261.312 244.424 247.001 1.00 0.00 C +ATOM 32 CA TYR A 32 261.470 248.142 246.185 1.00 0.00 C +ATOM 33 CA PRO A 33 263.824 251.042 245.432 1.00 0.00 C +ATOM 34 CA SER A 34 264.928 254.680 245.175 1.00 0.00 C +ATOM 35 CA PHE A 35 264.638 258.460 244.794 1.00 0.00 C +ATOM 36 CA GLY A 36 261.716 259.455 247.028 1.00 0.00 C +ATOM 37 CA GLN A 37 260.092 262.673 248.262 1.00 0.00 C +ATOM 38 CA GLY A 38 260.246 265.349 245.555 1.00 0.00 C +ATOM 39 CA GLN A 39 260.527 264.776 241.799 1.00 0.00 C +ATOM 40 CA TYR A 40 259.302 267.823 239.866 1.00 0.00 C +ATOM 41 CA ALA A 41 258.277 271.174 238.371 1.00 0.00 C +ATOM 42 CA GLN A 42 254.680 272.328 238.866 1.00 0.00 C +ATOM 43 CA TYR A 43 254.893 274.929 241.642 1.00 0.00 C +ATOM 44 CA TYR A 44 251.898 275.161 243.984 1.00 0.00 C +ATOM 45 CA ASN A 45 250.384 273.876 247.236 1.00 0.00 C +ATOM 46 CA SER A 46 248.521 270.893 248.701 1.00 0.00 C +ATOM 47 CA SER A 47 246.757 268.402 246.420 1.00 0.00 C +ATOM 48 CA PRO A 48 247.625 268.866 242.740 1.00 0.00 C +ATOM 49 CA TYR A 49 247.587 266.392 239.843 1.00 0.00 C +ATOM 50 CA PRO A 50 244.180 266.096 238.165 1.00 0.00 C +ATOM 51 CA ALA A 51 241.003 266.630 240.199 1.00 0.00 C +ATOM 52 CA HIS A 52 240.925 264.438 243.314 1.00 0.00 C +ATOM 53 CA TYR A 53 241.401 262.547 246.588 1.00 0.00 C +ATOM 54 CA MET A 54 240.441 259.535 248.714 1.00 0.00 C +ATOM 55 CA THR A 55 237.016 257.890 248.437 1.00 0.00 C +ATOM 56 CA SER A 56 235.118 254.593 248.225 1.00 0.00 C +ATOM 57 CA SER A 57 231.752 252.914 247.617 1.00 0.00 C +ATOM 58 CA ASN A 58 227.984 252.590 248.078 1.00 0.00 C +ATOM 59 CA THR A 59 225.185 252.188 250.632 1.00 0.00 C +ATOM 60 CA SER A 60 222.295 254.303 249.333 1.00 0.00 C +ATOM 61 CA PRO A 61 219.165 253.459 247.331 1.00 0.00 C +ATOM 62 CA THR A 62 218.110 249.834 246.820 1.00 0.00 C +ATOM 63 CA THR A 63 216.582 246.480 245.855 1.00 0.00 C +ATOM 64 CA PRO A 64 217.949 243.863 248.263 1.00 0.00 C +ATOM 65 CA SER A 65 220.052 240.838 249.234 1.00 0.00 C +ATOM 66 CA THR A 66 223.420 240.363 247.517 1.00 0.00 C +ATOM 67 CA ASN A 67 226.405 241.577 245.484 1.00 0.00 C +ATOM 68 CA ALA A 68 225.862 241.585 241.713 1.00 0.00 C +ATOM 69 CA THR A 69 224.152 240.745 238.413 1.00 0.00 C +ATOM 70 CA TYR A 70 221.502 242.736 236.535 1.00 0.00 C +ATOM 71 CA GLN A 71 218.114 241.852 235.032 1.00 0.00 C +ATOM 72 CA LEU A 72 215.562 243.127 237.558 1.00 0.00 C +ATOM 73 CA GLN A 73 211.831 243.467 238.253 1.00 0.00 C +ATOM 74 CA GLU A 74 211.415 243.522 242.039 1.00 0.00 C +ATOM 75 CA PRO A 75 210.318 245.425 245.152 1.00 0.00 C +ATOM 76 CA PRO A 76 210.993 247.572 248.226 1.00 0.00 C +ATOM 77 CA SER A 77 212.156 249.317 251.407 1.00 0.00 C +ATOM 78 CA GLY A 78 211.052 251.522 254.311 1.00 0.00 C +ATOM 79 CA ILE A 79 211.121 251.310 258.115 1.00 0.00 C +ATOM 80 CA THR A 80 208.749 251.592 261.082 1.00 0.00 C +ATOM 81 CA SER A 81 209.911 254.576 263.147 1.00 0.00 C +ATOM 82 CA GLN A 82 208.601 254.012 266.681 1.00 0.00 C +ATOM 83 CA ALA A 83 210.377 255.480 269.715 1.00 0.00 C +ATOM 84 CA VAL A 84 212.457 258.623 269.154 1.00 0.00 C +ATOM 85 CA THR A 85 211.622 262.280 268.484 1.00 0.00 C +ATOM 86 CA ASP A 86 209.514 265.416 268.970 1.00 0.00 C +ATOM 87 CA PRO A 87 209.067 266.501 272.594 1.00 0.00 C +ATOM 88 CA THR A 88 207.805 269.665 274.301 1.00 0.00 C +ATOM 89 CA ALA A 89 207.098 272.974 272.550 1.00 0.00 C +TER 90 ALA A 89 +END diff --git a/Mammals/Q4AC89/Q4AC89.dcd b/Mammals/Q4AC89/Q4AC89.dcd new file mode 100644 index 0000000000000000000000000000000000000000..9e98c5fcdf9cee9c84e2b1e4655c8b4db6e8502f --- /dev/null +++ b/Mammals/Q4AC89/Q4AC89.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:78cada05b93f0682c9c6fbb3460a55d250ad4f7cf83995ffa22b11b96653101f +size 23120276 diff --git a/Mammals/Q4AC89/top.pdb b/Mammals/Q4AC89/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..afe30e445ea7f119d285066110cdcb60825eaf98 --- /dev/null +++ b/Mammals/Q4AC89/top.pdb @@ -0,0 +1,190 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA CYS A 1 305.423 266.601 217.644 1.00 0.00 C +ATOM 2 CA PRO A 2 305.859 264.387 214.574 1.00 0.00 C +ATOM 3 CA SER A 3 303.697 263.009 211.756 1.00 0.00 C +ATOM 4 CA CYS A 4 304.358 259.707 209.973 1.00 0.00 C +ATOM 5 CA TRP A 5 301.904 257.084 208.704 1.00 0.00 C +ATOM 6 CA SER A 6 300.648 254.668 211.368 1.00 0.00 C +ATOM 7 CA LEU A 7 299.968 252.914 214.682 1.00 0.00 C +ATOM 8 CA GLN A 8 296.756 250.903 214.286 1.00 0.00 C +ATOM 9 CA PRO A 9 294.081 253.121 215.848 1.00 0.00 C +ATOM 10 CA GLY A 10 292.372 251.425 218.801 1.00 0.00 C +ATOM 11 CA THR A 11 288.580 251.052 218.842 1.00 0.00 C +ATOM 12 CA GLY A 12 285.929 253.750 219.297 1.00 0.00 C +ATOM 13 CA THR A 13 284.296 253.078 222.673 1.00 0.00 C +ATOM 14 CA GLY A 14 284.172 253.374 226.470 1.00 0.00 C +ATOM 15 CA SER A 15 282.025 252.121 229.357 1.00 0.00 C +ATOM 16 CA LEU A 16 278.755 253.028 231.088 1.00 0.00 C +ATOM 17 CA MET A 17 276.006 252.644 233.698 1.00 0.00 C +ATOM 18 CA GLY A 18 272.991 254.871 233.014 1.00 0.00 C +ATOM 19 CA LEU A 19 274.378 258.409 233.287 1.00 0.00 C +ATOM 20 CA GLN A 20 271.875 261.162 234.107 1.00 0.00 C +ATOM 21 CA MET A 21 268.609 260.509 235.957 1.00 0.00 C +ATOM 22 CA ARG A 22 266.389 260.751 239.044 1.00 0.00 C +ATOM 23 CA LYS A 23 264.714 258.420 241.550 1.00 0.00 C +ATOM 24 CA ARG A 24 264.564 255.668 244.180 1.00 0.00 C +ATOM 25 CA ALA A 25 265.616 256.592 247.724 1.00 0.00 C +ATOM 26 CA GLY A 26 266.616 258.084 251.084 1.00 0.00 C +ATOM 27 CA ARG A 27 267.205 257.059 254.706 1.00 0.00 C +ATOM 28 CA ARG A 28 266.776 256.941 258.490 1.00 0.00 C +ATOM 29 CA GLY A 29 263.196 255.744 259.007 1.00 0.00 C +ATOM 30 CA LYS A 30 261.777 254.432 262.291 1.00 0.00 C +ATOM 31 CA ARG A 31 259.282 251.690 261.414 1.00 0.00 C +ATOM 32 CA LYS A 32 256.723 252.852 258.842 1.00 0.00 C +ATOM 33 CA ARG A 33 257.340 255.018 255.769 1.00 0.00 C +ATOM 34 CA ARG A 34 256.658 255.576 252.062 1.00 0.00 C +ATOM 35 CA ARG A 35 259.315 253.549 250.233 1.00 0.00 C +ATOM 36 CA GLY A 36 262.140 251.321 248.978 1.00 0.00 C +ATOM 37 CA SER A 37 264.945 248.764 249.308 1.00 0.00 C +ATOM 38 CA GLN A 38 267.672 249.261 246.694 1.00 0.00 C +ATOM 39 CA GLY A 39 269.730 252.102 245.207 1.00 0.00 C +ATOM 40 CA LEU A 40 270.153 252.418 241.433 1.00 0.00 C +ATOM 41 CA GLY A 41 272.166 250.155 239.121 1.00 0.00 C +ATOM 42 CA SER A 42 273.101 246.462 239.117 1.00 0.00 C +ATOM 43 CA GLY A 43 275.513 243.517 239.281 1.00 0.00 C +ATOM 44 CA GLY A 44 278.514 241.438 240.372 1.00 0.00 C +ATOM 45 CA GLN A 45 282.192 241.999 239.551 1.00 0.00 C +ATOM 46 CA TRP A 46 284.291 244.680 237.843 1.00 0.00 C +ATOM 47 CA SER A 47 286.532 247.478 239.134 1.00 0.00 C +ATOM 48 CA SER A 48 285.687 249.763 242.063 1.00 0.00 C +ATOM 49 CA ALA A 49 282.276 248.704 243.389 1.00 0.00 C +ATOM 50 CA GLY A 50 279.385 246.476 244.480 1.00 0.00 C +ATOM 51 CA SER A 51 276.099 248.334 245.000 1.00 0.00 C +ATOM 52 CA LEU A 52 274.445 247.854 248.399 1.00 0.00 C +ATOM 53 CA GLN A 53 275.477 247.286 252.022 1.00 0.00 C +ATOM 54 CA ARG A 54 275.318 243.969 253.890 1.00 0.00 C +ATOM 55 CA GLY A 55 272.112 243.056 255.735 1.00 0.00 C +ATOM 56 CA ASP A 56 268.356 242.452 255.944 1.00 0.00 C +ATOM 57 CA PHE A 57 266.943 240.281 253.150 1.00 0.00 C +ATOM 58 CA LEU A 58 263.524 238.722 253.779 1.00 0.00 C +ATOM 59 CA GLU A 59 260.120 238.491 252.082 1.00 0.00 C +ATOM 60 CA SER A 60 256.883 238.339 250.079 1.00 0.00 C +ATOM 61 CA GLU A 61 253.865 236.861 251.874 1.00 0.00 C +ATOM 62 CA THR A 62 250.405 235.675 250.808 1.00 0.00 C +ATOM 63 CA VAL A 63 247.856 238.052 249.268 1.00 0.00 C +ATOM 64 CA GLY A 64 247.241 239.825 245.953 1.00 0.00 C +ATOM 65 CA VAL A 65 244.646 240.114 243.178 1.00 0.00 C +ATOM 66 CA SER A 66 242.201 242.949 242.472 1.00 0.00 C +ATOM 67 CA VAL A 67 238.946 241.188 241.566 1.00 0.00 C +ATOM 68 CA PRO A 68 236.646 238.180 241.139 1.00 0.00 C +ATOM 69 CA TRP A 69 233.241 238.913 239.596 1.00 0.00 C +ATOM 70 CA ASP A 70 230.923 240.392 242.234 1.00 0.00 C +ATOM 71 CA ASP A 71 230.058 244.041 242.907 1.00 0.00 C +ATOM 72 CA GLY A 72 232.814 245.798 244.864 1.00 0.00 C +ATOM 73 CA SER A 73 233.731 244.899 248.452 1.00 0.00 C +ATOM 74 CA ARG A 74 237.512 245.310 248.667 1.00 0.00 C +ATOM 75 CA ALA A 75 240.157 247.129 250.720 1.00 0.00 C +ATOM 76 CA ALA A 76 239.236 250.825 250.812 1.00 0.00 C +ATOM 77 CA VAL A 77 237.603 251.717 254.137 1.00 0.00 C +ATOM 78 CA ALA A 78 239.594 254.681 255.467 1.00 0.00 C +ATOM 79 CA ASP A 79 238.334 257.522 257.672 1.00 0.00 C +ATOM 80 CA ALA A 80 235.013 259.177 258.535 1.00 0.00 C +ATOM 81 CA PRO A 81 232.714 256.266 259.407 1.00 0.00 C +ATOM 82 CA VAL A 82 229.233 257.082 258.092 1.00 0.00 C +ATOM 83 CA THR A 83 227.264 253.889 257.428 1.00 0.00 C +ATOM 84 CA ALA A 84 226.787 250.236 256.453 1.00 0.00 C +ATOM 85 CA LEU A 85 224.202 249.640 253.718 1.00 0.00 C +ATOM 86 CA GLU A 86 220.968 249.555 251.707 1.00 0.00 C +ATOM 87 CA THR A 87 217.847 251.628 252.398 1.00 0.00 C +ATOM 88 CA GLU A 88 214.312 251.449 250.988 1.00 0.00 C +ATOM 89 CA SER A 89 211.964 251.131 248.004 1.00 0.00 C +ATOM 90 CA GLN A 90 209.364 252.285 245.470 1.00 0.00 C +ATOM 91 CA ASP A 91 208.708 253.340 241.868 1.00 0.00 C +ATOM 92 CA SER A 92 208.253 257.121 241.766 1.00 0.00 C +ATOM 93 CA ALA A 93 205.337 258.086 244.020 1.00 0.00 C +ATOM 94 CA LYS A 94 204.440 256.954 247.545 1.00 0.00 C +ATOM 95 CA PRO A 95 201.364 256.626 249.770 1.00 0.00 C +ATOM 96 CA SER A 96 201.783 254.534 252.926 1.00 0.00 C +ATOM 97 CA GLY A 97 203.538 251.985 255.149 1.00 0.00 C +ATOM 98 CA SER A 98 205.808 249.333 253.624 1.00 0.00 C +ATOM 99 CA GLU A 99 206.911 247.546 250.445 1.00 0.00 C +ATOM 100 CA GLU A 100 206.798 243.738 250.511 1.00 0.00 C +ATOM 101 CA GLU A 101 208.544 240.586 251.749 1.00 0.00 C +ATOM 102 CA PHE A 102 210.945 239.015 249.242 1.00 0.00 C +ATOM 103 CA ASP A 103 214.556 238.357 248.221 1.00 0.00 C +ATOM 104 CA SER A 104 216.362 235.644 246.247 1.00 0.00 C +ATOM 105 CA VAL A 105 219.417 233.759 244.971 1.00 0.00 C +ATOM 106 CA PRO A 106 223.171 233.266 245.394 1.00 0.00 C +ATOM 107 CA LEU A 107 223.689 229.641 246.445 1.00 0.00 C +ATOM 108 CA GLU A 108 227.395 229.423 247.302 1.00 0.00 C +ATOM 109 CA ARG A 109 229.709 226.418 246.937 1.00 0.00 C +ATOM 110 CA GLU A 110 229.064 222.792 245.962 1.00 0.00 C +ATOM 111 CA ASP A 111 228.279 222.652 242.237 1.00 0.00 C +ATOM 112 CA GLN A 112 230.375 222.534 239.057 1.00 0.00 C +ATOM 113 CA GLY A 113 233.352 222.047 236.730 1.00 0.00 C +ATOM 114 CA PRO A 114 236.837 221.952 235.194 1.00 0.00 C +ATOM 115 CA GLY A 115 238.012 218.341 235.512 1.00 0.00 C +ATOM 116 CA PRO A 116 240.549 215.916 234.028 1.00 0.00 C +ATOM 117 CA VAL A 117 241.617 213.446 236.725 1.00 0.00 C +ATOM 118 CA GLU A 118 243.532 212.837 239.962 1.00 0.00 C +ATOM 119 CA THR A 119 242.192 213.315 243.497 1.00 0.00 C +ATOM 120 CA PRO A 120 240.116 215.670 245.655 1.00 0.00 C +ATOM 121 CA ARG A 121 239.885 217.981 248.676 1.00 0.00 C +ATOM 122 CA ARG A 122 240.256 221.337 250.440 1.00 0.00 C +ATOM 123 CA ALA A 123 243.611 223.126 250.690 1.00 0.00 C +ATOM 124 CA GLU A 124 246.866 222.466 252.558 1.00 0.00 C +ATOM 125 CA GLY A 125 250.018 223.272 250.577 1.00 0.00 C +ATOM 126 CA THR A 126 252.551 226.013 251.344 1.00 0.00 C +ATOM 127 CA SER A 127 255.856 226.736 249.593 1.00 0.00 C +ATOM 128 CA PRO A 128 257.535 230.104 250.189 1.00 0.00 C +ATOM 129 CA GLY A 129 258.466 231.840 253.450 1.00 0.00 C +ATOM 130 CA THR A 130 259.259 232.990 256.995 1.00 0.00 C +ATOM 131 CA ALA A 131 256.453 234.449 259.119 1.00 0.00 C +ATOM 132 CA ASP A 132 253.035 235.421 257.747 1.00 0.00 C +ATOM 133 CA THR A 133 249.585 233.807 257.662 1.00 0.00 C +ATOM 134 CA LEU A 134 246.512 234.049 259.902 1.00 0.00 C +ATOM 135 CA GLY A 135 242.936 233.290 260.977 1.00 0.00 C +ATOM 136 CA ILE A 136 240.201 230.989 259.659 1.00 0.00 C +ATOM 137 CA ASN A 137 237.503 228.322 260.013 1.00 0.00 C +ATOM 138 CA GLY A 138 235.260 228.380 256.934 1.00 0.00 C +ATOM 139 CA ARG A 139 232.041 229.673 255.358 1.00 0.00 C +ATOM 140 CA GLY A 140 229.403 232.091 256.665 1.00 0.00 C +ATOM 141 CA PRO A 141 228.527 234.505 259.480 1.00 0.00 C +ATOM 142 CA ASP A 142 227.486 237.586 261.464 1.00 0.00 C +ATOM 143 CA LEU A 143 227.928 237.647 265.248 1.00 0.00 C +ATOM 144 CA GLU A 144 226.740 237.744 268.866 1.00 0.00 C +ATOM 145 CA GLU A 145 229.227 239.799 270.894 1.00 0.00 C +ATOM 146 CA SER A 146 231.973 241.717 272.710 1.00 0.00 C +ATOM 147 CA GLU A 147 232.520 244.500 275.255 1.00 0.00 C +ATOM 148 CA HIS A 148 230.353 247.632 275.372 1.00 0.00 C +ATOM 149 CA VAL A 149 228.491 250.063 273.106 1.00 0.00 C +ATOM 150 CA ASN A 150 228.757 248.484 269.649 1.00 0.00 C +ATOM 151 CA GLY A 151 231.940 249.094 267.645 1.00 0.00 C +ATOM 152 CA GLY A 152 235.588 248.145 268.197 1.00 0.00 C +ATOM 153 CA VAL A 153 239.123 248.603 266.851 1.00 0.00 C +ATOM 154 CA VAL A 154 242.217 250.823 266.722 1.00 0.00 C +ATOM 155 CA ASN A 155 244.617 253.308 265.116 1.00 0.00 C +ATOM 156 CA GLY A 156 244.864 255.871 262.308 1.00 0.00 C +ATOM 157 CA LEU A 157 246.401 259.148 263.498 1.00 0.00 C +ATOM 158 CA GLN A 158 249.161 261.774 263.475 1.00 0.00 C +ATOM 159 CA GLN A 159 251.591 261.181 260.601 1.00 0.00 C +ATOM 160 CA PRO A 160 253.922 263.976 259.474 1.00 0.00 C +ATOM 161 CA GLU A 161 257.113 264.585 261.464 1.00 0.00 C +ATOM 162 CA GLU A 162 259.276 267.721 261.378 1.00 0.00 C +ATOM 163 CA VAL A 163 258.802 271.313 262.557 1.00 0.00 C +ATOM 164 CA GLY A 164 255.611 273.373 262.851 1.00 0.00 C +ATOM 165 CA GLN A 165 251.901 273.146 262.015 1.00 0.00 C +ATOM 166 CA GLY A 166 248.291 274.130 261.295 1.00 0.00 C +ATOM 167 CA LYS A 167 245.997 275.597 258.630 1.00 0.00 C +ATOM 168 CA LEU A 168 242.454 276.809 259.332 1.00 0.00 C +ATOM 169 CA GLY A 169 242.780 279.596 261.910 1.00 0.00 C +ATOM 170 CA ALA A 170 242.612 283.281 260.959 1.00 0.00 C +ATOM 171 CA PRO A 171 244.101 285.610 258.337 1.00 0.00 C +ATOM 172 CA ASP A 172 246.241 288.695 257.688 1.00 0.00 C +ATOM 173 CA GLY A 173 248.995 289.279 260.255 1.00 0.00 C +ATOM 174 CA ASP A 174 249.585 290.670 263.752 1.00 0.00 C +ATOM 175 CA ARG A 175 253.075 290.847 265.270 1.00 0.00 C +ATOM 176 CA GLY A 176 255.128 293.876 264.208 1.00 0.00 C +ATOM 177 CA SER A 177 256.950 296.590 266.166 1.00 0.00 C +ATOM 178 CA PRO A 178 255.292 296.563 269.596 1.00 0.00 C +ATOM 179 CA LEU A 179 257.602 294.486 271.802 1.00 0.00 C +ATOM 180 CA ALA A 180 258.721 291.911 274.376 1.00 0.00 C +ATOM 181 CA GLU A 181 262.004 289.977 274.318 1.00 0.00 C +ATOM 182 CA GLU A 182 265.758 290.469 273.891 1.00 0.00 C +ATOM 183 CA GLU A 183 267.025 291.176 270.368 1.00 0.00 C +ATOM 184 CA GLY A 184 268.837 290.090 267.197 1.00 0.00 C +ATOM 185 CA ALA A 185 270.559 288.365 264.269 1.00 0.00 C +ATOM 186 CA ALA A 186 268.880 287.108 261.089 1.00 0.00 C +TER 187 ALA A 186 +END diff --git a/Mammals/Q4FZ94/Q4FZ94.dcd b/Mammals/Q4FZ94/Q4FZ94.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c685fba20a16f729d708298e8818bc5148ddc103 --- /dev/null +++ b/Mammals/Q4FZ94/Q4FZ94.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d4008a07191690b516945735617bac06f27f535bec3ced3ed7af8d50b7766097 +size 4520276 diff --git a/Mammals/Q4FZ94/top.pdb b/Mammals/Q4FZ94/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5577b23b431d578678eda344b7936f6f2bf2bbf0 --- /dev/null +++ b/Mammals/Q4FZ94/top.pdb @@ -0,0 +1,35 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 240.316 252.344 240.024 1.00 0.00 C +ATOM 2 CA ARG A 2 243.401 251.430 242.065 1.00 0.00 C +ATOM 3 CA VAL A 3 246.311 252.130 239.708 1.00 0.00 C +ATOM 4 CA THR A 4 249.332 252.840 241.917 1.00 0.00 C +ATOM 5 CA LEU A 5 252.124 255.416 241.628 1.00 0.00 C +ATOM 6 CA SER A 6 255.925 255.689 241.655 1.00 0.00 C +ATOM 7 CA ARG A 7 257.526 252.522 243.042 1.00 0.00 C +ATOM 8 CA PRO A 8 260.325 250.828 244.995 1.00 0.00 C +ATOM 9 CA THR A 9 259.828 251.459 248.720 1.00 0.00 C +ATOM 10 CA TRP A 10 262.652 252.719 250.946 1.00 0.00 C +ATOM 11 CA SER A 11 266.401 252.744 250.269 1.00 0.00 C +ATOM 12 CA TRP A 12 269.397 250.900 251.732 1.00 0.00 C +ATOM 13 CA ARG A 13 271.344 248.517 249.486 1.00 0.00 C +ATOM 14 CA SER A 14 270.245 245.178 248.017 1.00 0.00 C +ATOM 15 CA PRO A 15 266.665 244.130 247.242 1.00 0.00 C +ATOM 16 CA CYS A 16 263.253 242.540 247.832 1.00 0.00 C +ATOM 17 CA PRO A 17 261.349 243.860 250.856 1.00 0.00 C +ATOM 18 CA ARG A 18 258.191 245.899 251.476 1.00 0.00 C +ATOM 19 CA SER A 19 254.849 246.539 253.191 1.00 0.00 C +ATOM 20 CA ARG A 20 251.396 244.998 252.723 1.00 0.00 C +ATOM 21 CA SER A 21 247.971 246.323 253.737 1.00 0.00 C +ATOM 22 CA ARG A 22 244.621 247.625 252.475 1.00 0.00 C +ATOM 23 CA SER A 23 241.928 250.130 253.472 1.00 0.00 C +ATOM 24 CA THR A 24 240.660 253.273 251.732 1.00 0.00 C +ATOM 25 CA GLN A 25 237.585 255.517 251.881 1.00 0.00 C +ATOM 26 CA THR A 26 234.585 253.331 252.741 1.00 0.00 C +ATOM 27 CA ALA A 27 233.941 252.724 256.447 1.00 0.00 C +ATOM 28 CA CYS A 28 231.393 251.639 259.063 1.00 0.00 C +ATOM 29 CA SER A 29 228.632 249.092 258.429 1.00 0.00 C +ATOM 30 CA CYS A 30 225.233 248.313 259.963 1.00 0.00 C +ATOM 31 CA MET A 31 222.622 249.351 262.536 1.00 0.00 C +TER 32 MET A 31 +END diff --git a/Mammals/Q4FZJ5/Q4FZJ5.dcd b/Mammals/Q4FZJ5/Q4FZJ5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..6c3b8124bd51e263f8bfa77a4fee70fd2738fcc7 --- /dev/null +++ b/Mammals/Q4FZJ5/Q4FZJ5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:449d0971e845c58f741c10e9803c4eeaba0bd48c5c841ac8c617a1a5d1fa1da7 +size 14000276 diff --git a/Mammals/Q4FZJ5/top.pdb b/Mammals/Q4FZJ5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a449e473457c937470365fa592609a4b4e08dab3 --- /dev/null +++ b/Mammals/Q4FZJ5/top.pdb @@ -0,0 +1,114 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 237.595 265.991 252.481 1.00 0.00 C +ATOM 2 CA ASP A 2 239.047 268.334 249.850 1.00 0.00 C +ATOM 3 CA PRO A 3 242.093 270.004 248.285 1.00 0.00 C +ATOM 4 CA ARG A 4 244.720 267.602 246.927 1.00 0.00 C +ATOM 5 CA ARG A 5 247.241 267.255 249.763 1.00 0.00 C +ATOM 6 CA GLU A 6 249.614 264.280 249.939 1.00 0.00 C +ATOM 7 CA PRO A 7 253.278 263.237 249.985 1.00 0.00 C +ATOM 8 CA GLY A 8 255.859 260.522 250.682 1.00 0.00 C +ATOM 9 CA SER A 9 257.026 258.494 247.675 1.00 0.00 C +ATOM 10 CA GLY A 10 255.578 254.979 247.924 1.00 0.00 C +ATOM 11 CA ALA A 11 257.475 252.346 249.919 1.00 0.00 C +ATOM 12 CA ARG A 12 260.463 251.297 252.037 1.00 0.00 C +ATOM 13 CA GLY A 13 261.950 253.771 254.525 1.00 0.00 C +ATOM 14 CA VAL A 14 263.759 252.085 257.424 1.00 0.00 C +ATOM 15 CA THR A 15 267.175 250.466 256.946 1.00 0.00 C +ATOM 16 CA GLU A 16 270.311 249.512 258.887 1.00 0.00 C +ATOM 17 CA PHE A 17 269.836 248.884 262.614 1.00 0.00 C +ATOM 18 CA ALA A 18 271.506 250.310 265.728 1.00 0.00 C +ATOM 19 CA VAL A 19 273.966 248.352 267.879 1.00 0.00 C +ATOM 20 CA PRO A 20 276.684 246.013 269.167 1.00 0.00 C +ATOM 21 CA THR A 21 276.780 242.915 266.950 1.00 0.00 C +ATOM 22 CA ARG A 22 276.991 239.135 266.522 1.00 0.00 C +ATOM 23 CA CYS A 23 275.700 235.607 265.887 1.00 0.00 C +ATOM 24 CA PRO A 24 275.398 234.280 262.328 1.00 0.00 C +ATOM 25 CA PRO A 25 275.650 235.843 258.863 1.00 0.00 C +ATOM 26 CA ALA A 26 275.925 238.681 256.336 1.00 0.00 C +ATOM 27 CA GLY A 27 275.392 237.265 252.839 1.00 0.00 C +ATOM 28 CA HIS A 28 274.806 234.699 250.085 1.00 0.00 C +ATOM 29 CA PRO A 29 272.632 232.704 247.674 1.00 0.00 C +ATOM 30 CA PRO A 30 269.772 234.983 246.606 1.00 0.00 C +ATOM 31 CA GLN A 31 265.997 234.885 247.110 1.00 0.00 C +ATOM 32 CA PRO A 32 265.035 231.234 247.623 1.00 0.00 C +ATOM 33 CA TRP A 33 265.157 227.671 248.965 1.00 0.00 C +ATOM 34 CA SER A 34 266.087 224.001 249.399 1.00 0.00 C +ATOM 35 CA THR A 35 265.098 222.472 252.745 1.00 0.00 C +ATOM 36 CA SER A 36 264.274 222.238 256.458 1.00 0.00 C +ATOM 37 CA PRO A 37 260.705 222.372 257.782 1.00 0.00 C +ATOM 38 CA ASP A 38 257.252 223.518 256.650 1.00 0.00 C +ATOM 39 CA PRO A 39 253.675 224.067 257.842 1.00 0.00 C +ATOM 40 CA THR A 40 250.996 226.770 258.019 1.00 0.00 C +ATOM 41 CA PRO A 41 248.565 228.526 255.668 1.00 0.00 C +ATOM 42 CA ARG A 42 248.372 231.927 253.962 1.00 0.00 C +ATOM 43 CA HIS A 43 247.492 235.467 255.060 1.00 0.00 C +ATOM 44 CA ALA A 44 248.651 239.097 255.065 1.00 0.00 C +ATOM 45 CA THR A 45 247.654 242.057 257.245 1.00 0.00 C +ATOM 46 CA PRO A 46 247.245 245.786 257.912 1.00 0.00 C +ATOM 47 CA GLN A 47 248.433 248.109 260.689 1.00 0.00 C +ATOM 48 CA ALA A 48 245.295 248.856 262.717 1.00 0.00 C +ATOM 49 CA ARG A 49 243.740 252.327 262.496 1.00 0.00 C +ATOM 50 CA LYS A 50 244.567 255.512 264.417 1.00 0.00 C +ATOM 51 CA ALA A 51 241.840 257.518 266.164 1.00 0.00 C +ATOM 52 CA GLY A 52 241.605 261.232 266.983 1.00 0.00 C +ATOM 53 CA ARG A 53 241.732 264.849 265.793 1.00 0.00 C +ATOM 54 CA ARG A 54 240.058 267.167 263.274 1.00 0.00 C +ATOM 55 CA LEU A 55 237.219 269.541 264.182 1.00 0.00 C +ATOM 56 CA SER A 56 234.099 267.991 262.639 1.00 0.00 C +ATOM 57 CA PRO A 57 232.542 264.666 263.657 1.00 0.00 C +ATOM 58 CA SER A 58 229.352 263.844 261.742 1.00 0.00 C +ATOM 59 CA THR A 59 229.031 262.223 258.309 1.00 0.00 C +ATOM 60 CA TYR A 60 226.481 260.748 255.892 1.00 0.00 C +ATOM 61 CA LEU A 61 225.575 257.214 254.796 1.00 0.00 C +ATOM 62 CA THR A 62 228.014 254.643 256.196 1.00 0.00 C +ATOM 63 CA GLY A 63 228.422 251.402 254.235 1.00 0.00 C +ATOM 64 CA LEU A 64 231.644 250.127 252.651 1.00 0.00 C +ATOM 65 CA ALA A 65 235.389 250.455 253.270 1.00 0.00 C +ATOM 66 CA SER A 66 238.715 252.143 254.046 1.00 0.00 C +ATOM 67 CA PRO A 67 242.085 253.867 253.608 1.00 0.00 C +ATOM 68 CA GLY A 68 244.697 251.846 255.507 1.00 0.00 C +ATOM 69 CA THR A 69 247.730 253.568 257.040 1.00 0.00 C +ATOM 70 CA LYS A 70 250.587 255.810 258.195 1.00 0.00 C +ATOM 71 CA VAL A 71 254.290 256.469 258.801 1.00 0.00 C +ATOM 72 CA SER A 72 257.071 258.396 257.049 1.00 0.00 C +ATOM 73 CA TRP A 73 256.578 262.145 257.513 1.00 0.00 C +ATOM 74 CA ASP A 74 257.737 265.740 257.013 1.00 0.00 C +ATOM 75 CA HIS A 75 255.113 268.349 257.920 1.00 0.00 C +ATOM 76 CA SER A 76 251.877 268.731 259.895 1.00 0.00 C +ATOM 77 CA ARG A 77 248.514 266.945 259.771 1.00 0.00 C +ATOM 78 CA ALA A 78 247.084 264.439 257.283 1.00 0.00 C +ATOM 79 CA LEU A 79 245.385 263.225 254.096 1.00 0.00 C +ATOM 80 CA THR A 80 243.764 259.813 253.601 1.00 0.00 C +ATOM 81 CA SER A 81 245.035 258.145 250.419 1.00 0.00 C +ATOM 82 CA MET A 82 245.363 260.519 247.457 1.00 0.00 C +ATOM 83 CA PRO A 83 244.917 261.654 243.848 1.00 0.00 C +ATOM 84 CA PRO A 84 245.433 262.981 240.314 1.00 0.00 C +ATOM 85 CA SER A 85 248.463 261.596 238.466 1.00 0.00 C +ATOM 86 CA ARG A 86 248.380 257.807 238.075 1.00 0.00 C +ATOM 87 CA ALA A 87 246.210 255.014 236.658 1.00 0.00 C +ATOM 88 CA GLU A 88 248.503 252.174 235.567 1.00 0.00 C +ATOM 89 CA VAL A 89 251.265 251.838 232.965 1.00 0.00 C +ATOM 90 CA ALA A 90 252.548 251.723 229.379 1.00 0.00 C +ATOM 91 CA THR A 91 251.220 248.472 227.902 1.00 0.00 C +ATOM 92 CA ARG A 92 248.738 245.625 228.406 1.00 0.00 C +ATOM 93 CA PRO A 93 249.705 242.913 230.901 1.00 0.00 C +ATOM 94 CA PRO A 94 250.759 244.585 234.158 1.00 0.00 C +ATOM 95 CA GLY A 95 251.791 246.847 237.045 1.00 0.00 C +ATOM 96 CA ASN A 96 248.911 246.859 239.539 1.00 0.00 C +ATOM 97 CA SER A 97 245.979 246.730 241.969 1.00 0.00 C +ATOM 98 CA LEU A 98 242.489 247.720 240.806 1.00 0.00 C +ATOM 99 CA LYS A 99 240.501 248.483 237.647 1.00 0.00 C +ATOM 100 CA ALA A 100 240.247 250.577 234.474 1.00 0.00 C +ATOM 101 CA PRO A 101 239.252 251.571 230.933 1.00 0.00 C +ATOM 102 CA ARG A 102 236.637 252.916 228.509 1.00 0.00 C +ATOM 103 CA GLY A 103 234.299 251.215 226.029 1.00 0.00 C +ATOM 104 CA ARG A 104 232.195 249.393 223.426 1.00 0.00 C +ATOM 105 CA PHE A 105 234.177 246.667 221.648 1.00 0.00 C +ATOM 106 CA HIS A 106 234.594 243.392 219.747 1.00 0.00 C +ATOM 107 CA LEU A 107 232.588 240.469 218.352 1.00 0.00 C +ATOM 108 CA ASN A 108 228.884 240.660 219.222 1.00 0.00 C +ATOM 109 CA LEU A 109 225.388 241.084 217.770 1.00 0.00 C +ATOM 110 CA ARG A 110 222.783 238.519 216.697 1.00 0.00 C +TER 111 ARG A 110 +END diff --git a/Mammals/Q4FZS0/Q4FZS0.dcd b/Mammals/Q4FZS0/Q4FZS0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..65b4344d81b6bdd2184e8f95999c6d95869604f5 --- /dev/null +++ b/Mammals/Q4FZS0/Q4FZS0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6d634c6ad94a110b7b4706c46453163dad4aa4a0ff7447954742084264cc2570 +size 13040276 diff --git a/Mammals/Q4FZS0/top.pdb b/Mammals/Q4FZS0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0f7b59bfe34978fe102491a8892e6959ad000934 --- /dev/null +++ b/Mammals/Q4FZS0/top.pdb @@ -0,0 +1,106 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLU A 1 238.033 226.313 244.439 1.00 0.00 C +ATOM 2 CA LYS A 2 234.281 226.680 243.887 1.00 0.00 C +ATOM 3 CA SER A 3 232.207 224.333 246.055 1.00 0.00 C +ATOM 4 CA GLU A 4 234.361 221.728 247.813 1.00 0.00 C +ATOM 5 CA ALA A 5 236.279 223.314 250.698 1.00 0.00 C +ATOM 6 CA LYS A 6 237.018 222.232 254.275 1.00 0.00 C +ATOM 7 CA LYS A 7 238.200 221.756 257.866 1.00 0.00 C +ATOM 8 CA GLN A 8 239.043 225.087 259.511 1.00 0.00 C +ATOM 9 CA HIS A 9 240.705 227.375 262.064 1.00 0.00 C +ATOM 10 CA LYS A 10 240.516 231.177 261.896 1.00 0.00 C +ATOM 11 CA SER A 11 239.748 232.550 258.427 1.00 0.00 C +ATOM 12 CA ASP A 12 239.003 230.103 255.603 1.00 0.00 C +ATOM 13 CA SER A 13 237.830 231.231 252.158 1.00 0.00 C +ATOM 14 CA GLU A 14 237.018 234.802 251.107 1.00 0.00 C +ATOM 15 CA GLU A 15 239.863 236.409 249.146 1.00 0.00 C +ATOM 16 CA LYS A 16 243.138 237.795 247.779 1.00 0.00 C +ATOM 17 CA SER A 17 243.681 241.329 249.095 1.00 0.00 C +ATOM 18 CA ASP A 18 246.957 243.238 248.723 1.00 0.00 C +ATOM 19 CA SER A 19 250.160 245.257 249.148 1.00 0.00 C +ATOM 20 CA GLU A 20 252.297 245.395 245.997 1.00 0.00 C +ATOM 21 CA LYS A 21 251.931 244.987 242.226 1.00 0.00 C +ATOM 22 CA LYS A 22 253.592 245.793 238.893 1.00 0.00 C +ATOM 23 CA GLU A 23 255.671 247.136 235.997 1.00 0.00 C +ATOM 24 CA ASP A 24 258.792 249.224 236.640 1.00 0.00 C +ATOM 25 CA GLU A 25 261.668 250.574 238.743 1.00 0.00 C +ATOM 26 CA GLU A 26 264.578 249.770 241.066 1.00 0.00 C +ATOM 27 CA GLY A 27 266.016 246.259 241.423 1.00 0.00 C +ATOM 28 CA LYS A 28 268.661 244.491 243.519 1.00 0.00 C +ATOM 29 CA GLY A 29 268.996 246.320 246.844 1.00 0.00 C +ATOM 30 CA ALA A 30 270.706 248.414 249.529 1.00 0.00 C +ATOM 31 CA PRO A 31 269.090 250.010 252.587 1.00 0.00 C +ATOM 32 CA GLY A 32 269.779 251.639 255.962 1.00 0.00 C +ATOM 33 CA ASP A 33 273.579 251.832 256.170 1.00 0.00 C +ATOM 34 CA HIS A 34 275.447 248.524 256.461 1.00 0.00 C +ATOM 35 CA GLY A 35 273.078 245.782 255.285 1.00 0.00 C +ATOM 36 CA PRO A 36 274.094 242.317 254.069 1.00 0.00 C +ATOM 37 CA GLU A 37 272.426 239.070 252.978 1.00 0.00 C +ATOM 38 CA GLY A 38 269.463 236.917 251.929 1.00 0.00 C +ATOM 39 CA SER A 39 265.737 236.139 252.107 1.00 0.00 C +ATOM 40 CA GLY A 40 265.055 232.667 253.519 1.00 0.00 C +ATOM 41 CA GLY A 41 263.051 229.428 253.613 1.00 0.00 C +ATOM 42 CA GLU A 42 263.775 226.623 256.089 1.00 0.00 C +ATOM 43 CA ARG A 43 263.064 227.168 259.792 1.00 0.00 C +ATOM 44 CA HIS A 44 266.104 226.279 261.909 1.00 0.00 C +ATOM 45 CA SER A 45 266.894 225.870 265.614 1.00 0.00 C +ATOM 46 CA ASP A 46 270.592 226.639 266.112 1.00 0.00 C +ATOM 47 CA THR A 47 273.879 227.963 264.711 1.00 0.00 C +ATOM 48 CA ASP A 48 275.468 230.718 262.613 1.00 0.00 C +ATOM 49 CA SER A 49 274.517 233.849 260.661 1.00 0.00 C +ATOM 50 CA ASP A 50 271.088 235.481 260.355 1.00 0.00 C +ATOM 51 CA ARG A 51 270.483 239.220 259.935 1.00 0.00 C +ATOM 52 CA ARG A 52 267.343 240.640 258.311 1.00 0.00 C +ATOM 53 CA GLU A 53 265.293 242.315 261.051 1.00 0.00 C +ATOM 54 CA ASP A 54 261.769 243.454 260.157 1.00 0.00 C +ATOM 55 CA ASP A 55 260.711 245.152 256.915 1.00 0.00 C +ATOM 56 CA ARG A 56 258.405 246.791 254.362 1.00 0.00 C +ATOM 57 CA SER A 57 255.381 247.250 252.091 1.00 0.00 C +ATOM 58 CA GLN A 58 254.532 250.698 250.711 1.00 0.00 C +ATOM 59 CA HIS A 59 252.794 252.841 253.338 1.00 0.00 C +ATOM 60 CA SER A 60 253.136 254.104 256.917 1.00 0.00 C +ATOM 61 CA SER A 61 255.783 256.742 257.657 1.00 0.00 C +ATOM 62 CA GLY A 62 259.383 255.532 257.962 1.00 0.00 C +ATOM 63 CA ASN A 63 259.671 252.672 255.460 1.00 0.00 C +ATOM 64 CA GLY A 64 260.655 252.555 251.782 1.00 0.00 C +ATOM 65 CA ASN A 65 262.678 255.188 249.913 1.00 0.00 C +ATOM 66 CA ASP A 66 265.528 257.403 251.132 1.00 0.00 C +ATOM 67 CA PHE A 67 265.362 261.144 251.833 1.00 0.00 C +ATOM 68 CA GLU A 68 262.457 262.947 253.513 1.00 0.00 C +ATOM 69 CA MET A 69 259.547 261.348 255.381 1.00 0.00 C +ATOM 70 CA ILE A 70 256.393 263.092 254.145 1.00 0.00 C +ATOM 71 CA THR A 71 253.482 264.035 256.416 1.00 0.00 C +ATOM 72 CA LYS A 72 250.068 262.954 255.114 1.00 0.00 C +ATOM 73 CA GLU A 73 250.149 260.797 251.974 1.00 0.00 C +ATOM 74 CA GLU A 74 248.232 257.559 252.568 1.00 0.00 C +ATOM 75 CA LEU A 75 244.564 258.337 253.244 1.00 0.00 C +ATOM 76 CA GLU A 76 240.894 259.240 252.757 1.00 0.00 C +ATOM 77 CA GLN A 77 240.649 262.107 250.260 1.00 0.00 C +ATOM 78 CA GLN A 78 238.247 264.337 248.318 1.00 0.00 C +ATOM 79 CA THR A 79 236.440 266.788 246.027 1.00 0.00 C +ATOM 80 CA ASP A 80 235.297 270.414 246.265 1.00 0.00 C +ATOM 81 CA GLY A 81 234.727 273.656 244.346 1.00 0.00 C +ATOM 82 CA ASP A 82 231.392 275.488 244.521 1.00 0.00 C +ATOM 83 CA CYS A 83 231.159 279.193 245.378 1.00 0.00 C +ATOM 84 CA ASP A 84 230.998 279.364 249.181 1.00 0.00 C +ATOM 85 CA GLU A 85 228.215 277.362 250.841 1.00 0.00 C +ATOM 86 CA GLU A 86 228.495 274.018 252.646 1.00 0.00 C +ATOM 87 CA ASP A 87 230.017 270.588 253.305 1.00 0.00 C +ATOM 88 CA ASP A 88 230.426 267.319 251.392 1.00 0.00 C +ATOM 89 CA ASP A 89 230.461 264.984 248.381 1.00 0.00 C +ATOM 90 CA LYS A 90 229.133 264.363 244.865 1.00 0.00 C +ATOM 91 CA ASP A 91 229.946 266.554 241.855 1.00 0.00 C +ATOM 92 CA GLY A 92 229.347 269.174 239.155 1.00 0.00 C +ATOM 93 CA GLU A 93 230.629 272.210 237.243 1.00 0.00 C +ATOM 94 CA MET A 94 230.767 271.363 233.531 1.00 0.00 C +ATOM 95 CA PRO A 95 230.323 269.954 230.019 1.00 0.00 C +ATOM 96 CA LYS A 96 228.023 269.133 227.095 1.00 0.00 C +ATOM 97 CA SER A 97 225.786 271.785 225.521 1.00 0.00 C +ATOM 98 CA ALA A 98 224.855 274.863 227.564 1.00 0.00 C +ATOM 99 CA GLN A 99 222.733 275.388 230.684 1.00 0.00 C +ATOM 100 CA GLU A 100 223.758 278.312 232.901 1.00 0.00 C +ATOM 101 CA LYS A 101 226.780 279.480 234.906 1.00 0.00 C +ATOM 102 CA SER A 102 229.573 281.802 236.055 1.00 0.00 C +TER 103 SER A 102 +END diff --git a/Mammals/Q4FZS4/Q4FZS4.dcd b/Mammals/Q4FZS4/Q4FZS4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..7c6494d3584857006e0703f30c6ff093134e3737 --- /dev/null +++ b/Mammals/Q4FZS4/Q4FZS4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f203571e989339442c7dcbed3115a9fe82024e4fa5c8d4161934b368334aea23 +size 17000276 diff --git a/Mammals/Q4FZS4/top.pdb b/Mammals/Q4FZS4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..eb977806762cf3fcd223f9121b7b9392c98102ca --- /dev/null +++ b/Mammals/Q4FZS4/top.pdb @@ -0,0 +1,139 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ASP A 1 230.284 253.466 262.651 1.00 0.00 C +ATOM 2 CA ILE A 2 229.305 251.898 259.320 1.00 0.00 C +ATOM 3 CA PRO A 3 230.310 250.198 256.062 1.00 0.00 C +ATOM 4 CA SER A 4 232.613 250.477 253.039 1.00 0.00 C +ATOM 5 CA SER A 5 235.004 252.405 250.786 1.00 0.00 C +ATOM 6 CA LEU A 6 233.990 252.322 247.114 1.00 0.00 C +ATOM 7 CA LEU A 7 235.170 253.507 243.691 1.00 0.00 C +ATOM 8 CA THR A 8 236.404 251.019 241.082 1.00 0.00 C +ATOM 9 CA PRO A 9 239.498 249.086 239.983 1.00 0.00 C +ATOM 10 CA ASP A 10 241.231 250.761 237.032 1.00 0.00 C +ATOM 11 CA LYS A 11 240.876 249.508 233.451 1.00 0.00 C +ATOM 12 CA SER A 12 241.398 248.161 229.926 1.00 0.00 C +ATOM 13 CA ALA A 13 241.388 244.505 228.854 1.00 0.00 C +ATOM 14 CA PRO A 14 244.048 242.668 230.871 1.00 0.00 C +ATOM 15 CA CYS A 15 246.597 244.590 232.950 1.00 0.00 C +ATOM 16 CA LEU A 16 249.368 242.116 233.796 1.00 0.00 C +ATOM 17 CA PRO A 17 248.174 240.071 236.780 1.00 0.00 C +ATOM 18 CA GLY A 18 247.009 239.092 240.273 1.00 0.00 C +ATOM 19 CA GLN A 19 248.852 237.703 243.305 1.00 0.00 C +ATOM 20 CA MET A 20 249.776 234.131 244.255 1.00 0.00 C +ATOM 21 CA ALA A 21 250.741 234.136 247.941 1.00 0.00 C +ATOM 22 CA PRO A 22 251.987 234.884 251.463 1.00 0.00 C +ATOM 23 CA ALA A 23 250.339 233.530 254.619 1.00 0.00 C +ATOM 24 CA GLY A 24 247.370 234.908 256.569 1.00 0.00 C +ATOM 25 CA HIS A 25 245.975 234.258 260.054 1.00 0.00 C +ATOM 26 CA LEU A 26 248.648 234.062 262.762 1.00 0.00 C +ATOM 27 CA ASP A 27 247.780 234.313 266.463 1.00 0.00 C +ATOM 28 CA PRO A 28 244.178 233.337 267.232 1.00 0.00 C +ATOM 29 CA ALA A 29 242.643 230.712 264.937 1.00 0.00 C +ATOM 30 CA HIS A 30 240.920 231.134 261.566 1.00 0.00 C +ATOM 31 CA ASN A 31 242.773 229.136 258.903 1.00 0.00 C +ATOM 32 CA PRO A 32 242.962 225.413 259.689 1.00 0.00 C +ATOM 33 CA GLY A 33 242.299 223.678 256.362 1.00 0.00 C +ATOM 34 CA PRO A 34 239.754 225.458 254.155 1.00 0.00 C +ATOM 35 CA PRO A 35 241.371 226.823 250.987 1.00 0.00 C +ATOM 36 CA GLY A 36 239.214 229.375 249.158 1.00 0.00 C +ATOM 37 CA LEU A 37 240.385 231.925 246.581 1.00 0.00 C +ATOM 38 CA HIS A 38 241.477 230.279 243.323 1.00 0.00 C +ATOM 39 CA THR A 39 244.903 229.394 241.910 1.00 0.00 C +ATOM 40 CA PRO A 40 248.594 228.970 241.068 1.00 0.00 C +ATOM 41 CA ASN A 41 252.145 228.440 239.792 1.00 0.00 C +ATOM 42 CA LEU A 42 255.447 229.707 241.208 1.00 0.00 C +ATOM 43 CA GLY A 43 256.145 229.910 244.948 1.00 0.00 C +ATOM 44 CA PRO A 44 257.638 227.316 247.306 1.00 0.00 C +ATOM 45 CA THR A 45 258.794 224.148 245.534 1.00 0.00 C +ATOM 46 CA PRO A 46 262.095 222.279 245.891 1.00 0.00 C +ATOM 47 CA GLY A 47 264.179 224.463 248.216 1.00 0.00 C +ATOM 48 CA THR A 48 266.923 226.639 246.715 1.00 0.00 C +ATOM 49 CA GLN A 49 270.655 226.680 247.479 1.00 0.00 C +ATOM 50 CA LEU A 50 273.020 226.653 250.466 1.00 0.00 C +ATOM 51 CA HIS A 51 273.288 229.033 253.430 1.00 0.00 C +ATOM 52 CA HIS A 52 270.399 231.026 254.912 1.00 0.00 C +ATOM 53 CA PRO A 53 267.609 233.498 255.700 1.00 0.00 C +ATOM 54 CA ASN A 54 267.154 236.905 254.056 1.00 0.00 C +ATOM 55 CA PRO A 55 266.309 240.223 255.727 1.00 0.00 C +ATOM 56 CA SER A 56 268.589 243.165 256.543 1.00 0.00 C +ATOM 57 CA PRO A 57 271.064 246.060 256.580 1.00 0.00 C +ATOM 58 CA ALA A 58 270.158 249.112 258.674 1.00 0.00 C +ATOM 59 CA SER A 59 268.450 251.609 260.990 1.00 0.00 C +ATOM 60 CA ARG A 60 267.177 251.463 264.578 1.00 0.00 C +ATOM 61 CA GLN A 61 264.054 253.285 265.779 1.00 0.00 C +ATOM 62 CA PRO A 62 260.419 253.256 264.637 1.00 0.00 C +ATOM 63 CA LEU A 63 257.199 254.968 265.740 1.00 0.00 C +ATOM 64 CA GLY A 64 256.723 258.688 265.068 1.00 0.00 C +ATOM 65 CA GLN A 65 255.899 258.983 261.360 1.00 0.00 C +ATOM 66 CA PRO A 66 257.787 260.626 258.488 1.00 0.00 C +ATOM 67 CA ASN A 67 260.698 258.816 256.825 1.00 0.00 C +ATOM 68 CA THR A 68 264.335 259.652 257.596 1.00 0.00 C +ATOM 69 CA GLY A 69 265.724 261.769 254.750 1.00 0.00 C +ATOM 70 CA PRO A 70 269.010 263.625 255.277 1.00 0.00 C +ATOM 71 CA ILE A 71 268.982 267.006 253.521 1.00 0.00 C +ATOM 72 CA SER A 72 266.167 268.867 251.752 1.00 0.00 C +ATOM 73 CA GLU A 73 262.900 267.925 250.032 1.00 0.00 C +ATOM 74 CA LEU A 74 262.376 264.171 249.641 1.00 0.00 C +ATOM 75 CA ALA A 75 260.059 261.537 251.127 1.00 0.00 C +ATOM 76 CA PHE A 76 256.983 259.303 251.373 1.00 0.00 C +ATOM 77 CA ASN A 77 256.501 257.662 247.969 1.00 0.00 C +ATOM 78 CA PRO A 78 253.383 256.277 246.274 1.00 0.00 C +ATOM 79 CA ALA A 79 251.868 257.557 243.021 1.00 0.00 C +ATOM 80 CA THR A 80 252.249 256.685 239.332 1.00 0.00 C +ATOM 81 CA GLY A 81 249.076 256.032 237.327 1.00 0.00 C +ATOM 82 CA MET A 82 248.603 255.098 233.664 1.00 0.00 C +ATOM 83 CA MET A 83 246.599 251.866 233.427 1.00 0.00 C +ATOM 84 CA GLY A 84 247.388 249.773 236.511 1.00 0.00 C +ATOM 85 CA PRO A 85 246.245 248.226 239.800 1.00 0.00 C +ATOM 86 CA PRO A 86 245.844 248.707 243.558 1.00 0.00 C +ATOM 87 CA SER A 87 244.433 250.955 246.292 1.00 0.00 C +ATOM 88 CA MET A 88 242.687 253.845 248.057 1.00 0.00 C +ATOM 89 CA THR A 89 243.774 256.995 246.211 1.00 0.00 C +ATOM 90 CA GLY A 90 243.024 258.037 242.624 1.00 0.00 C +ATOM 91 CA ALA A 91 240.712 259.502 239.973 1.00 0.00 C +ATOM 92 CA GLY A 92 242.000 259.138 236.406 1.00 0.00 C +ATOM 93 CA GLU A 93 241.817 261.195 233.204 1.00 0.00 C +ATOM 94 CA ALA A 94 241.095 264.831 234.083 1.00 0.00 C +ATOM 95 CA SER A 95 243.681 267.226 232.637 1.00 0.00 C +ATOM 96 CA GLU A 96 247.355 267.108 231.636 1.00 0.00 C +ATOM 97 CA PRO A 97 250.154 264.579 231.102 1.00 0.00 C +ATOM 98 CA ALA A 98 253.047 262.101 231.028 1.00 0.00 C +ATOM 99 CA LEU A 99 255.324 260.675 233.729 1.00 0.00 C +ATOM 100 CA ASP A 100 257.192 263.426 235.589 1.00 0.00 C +ATOM 101 CA LEU A 101 256.042 267.051 235.363 1.00 0.00 C +ATOM 102 CA LEU A 102 255.429 270.048 237.634 1.00 0.00 C +ATOM 103 CA PRO A 103 257.147 273.012 239.301 1.00 0.00 C +ATOM 104 CA GLU A 104 258.864 273.367 242.684 1.00 0.00 C +ATOM 105 CA LEU A 105 259.830 271.141 245.621 1.00 0.00 C +ATOM 106 CA THR A 106 257.348 271.334 248.506 1.00 0.00 C +ATOM 107 CA ASN A 107 254.760 268.597 247.928 1.00 0.00 C +ATOM 108 CA PRO A 108 252.319 267.401 245.259 1.00 0.00 C +ATOM 109 CA ASP A 109 249.312 267.972 242.990 1.00 0.00 C +ATOM 110 CA GLU A 110 248.692 267.424 239.271 1.00 0.00 C +ATOM 111 CA LEU A 111 247.865 263.717 238.978 1.00 0.00 C +ATOM 112 CA LEU A 112 247.268 262.296 242.463 1.00 0.00 C +ATOM 113 CA SER A 113 246.596 262.490 246.208 1.00 0.00 C +ATOM 114 CA TYR A 114 249.372 262.832 248.796 1.00 0.00 C +ATOM 115 CA LEU A 115 249.677 264.168 252.351 1.00 0.00 C +ATOM 116 CA GLY A 116 249.090 262.930 255.907 1.00 0.00 C +ATOM 117 CA PRO A 117 246.019 262.340 258.082 1.00 0.00 C +ATOM 118 CA PRO A 118 242.657 263.594 256.800 1.00 0.00 C +ATOM 119 CA ASP A 119 239.361 261.880 255.953 1.00 0.00 C +ATOM 120 CA LEU A 120 237.270 259.434 257.993 1.00 0.00 C +ATOM 121 CA PRO A 121 234.772 257.912 255.552 1.00 0.00 C +ATOM 122 CA THR A 122 231.127 257.449 256.558 1.00 0.00 C +ATOM 123 CA ASN A 123 230.248 260.263 258.972 1.00 0.00 C +ATOM 124 CA SER A 124 231.625 260.015 262.516 1.00 0.00 C +ATOM 125 CA SER A 125 233.011 260.872 265.960 1.00 0.00 C +ATOM 126 CA ASP A 126 236.348 261.438 267.711 1.00 0.00 C +ATOM 127 CA ASP A 127 239.576 259.426 267.924 1.00 0.00 C +ATOM 128 CA LEU A 128 242.299 260.237 270.463 1.00 0.00 C +ATOM 129 CA LEU A 129 245.043 257.691 269.751 1.00 0.00 C +ATOM 130 CA SER A 130 248.589 256.809 270.829 1.00 0.00 C +ATOM 131 CA LEU A 131 248.927 253.033 270.446 1.00 0.00 C +ATOM 132 CA PHE A 132 249.826 250.581 273.220 1.00 0.00 C +ATOM 133 CA GLU A 133 248.468 247.170 274.237 1.00 0.00 C +ATOM 134 CA ASN A 134 245.967 245.548 271.865 1.00 0.00 C +ATOM 135 CA ASN A 135 243.042 246.820 269.780 1.00 0.00 C +TER 136 ASN A 135 +END diff --git a/Mammals/Q4G0V0/Q4G0V0.dcd b/Mammals/Q4G0V0/Q4G0V0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..79b6f6ea991fcf79e860da334739349850c45575 --- /dev/null +++ b/Mammals/Q4G0V0/Q4G0V0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:47fb442bf5b9c2c62ff2ab2b730a54e68d30502725c3a003390001cbd3912ed8 +size 10400276 diff --git a/Mammals/Q4G0V0/top.pdb b/Mammals/Q4G0V0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..34bd64b806cab012c6179e26f9d75016fd32b9ea --- /dev/null +++ b/Mammals/Q4G0V0/top.pdb @@ -0,0 +1,84 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLU A 1 238.088 263.299 223.775 1.00 0.00 C +ATOM 2 CA ARG A 2 238.271 262.926 227.562 1.00 0.00 C +ATOM 3 CA SER A 3 235.209 261.271 229.110 1.00 0.00 C +ATOM 4 CA PRO A 4 236.226 257.649 229.708 1.00 0.00 C +ATOM 5 CA ARG A 5 236.156 253.921 228.923 1.00 0.00 C +ATOM 6 CA ILE A 6 234.980 251.986 231.987 1.00 0.00 C +ATOM 7 CA GLN A 7 237.521 249.555 233.453 1.00 0.00 C +ATOM 8 CA PRO A 8 239.684 251.720 235.723 1.00 0.00 C +ATOM 9 CA GLN A 9 241.331 249.505 238.349 1.00 0.00 C +ATOM 10 CA PRO A 10 243.497 246.420 237.796 1.00 0.00 C +ATOM 11 CA SER A 11 246.667 244.436 238.528 1.00 0.00 C +ATOM 12 CA PRO A 12 250.232 243.218 239.095 1.00 0.00 C +ATOM 13 CA HIS A 13 252.593 244.807 241.629 1.00 0.00 C +ATOM 14 CA HIS A 14 254.937 245.508 244.550 1.00 0.00 C +ATOM 15 CA VAL A 15 255.829 243.029 247.303 1.00 0.00 C +ATOM 16 CA SER A 16 258.424 240.384 248.187 1.00 0.00 C +ATOM 17 CA PRO A 17 259.644 237.114 246.659 1.00 0.00 C +ATOM 18 CA GLN A 18 262.658 234.962 245.764 1.00 0.00 C +ATOM 19 CA THR A 19 265.909 235.796 243.960 1.00 0.00 C +ATOM 20 CA GLY A 20 268.162 238.755 244.786 1.00 0.00 C +ATOM 21 CA SER A 21 268.162 240.332 248.255 1.00 0.00 C +ATOM 22 CA PRO A 22 267.113 238.157 251.202 1.00 0.00 C +ATOM 23 CA HIS A 23 264.664 235.280 251.694 1.00 0.00 C +ATOM 24 CA PRO A 24 261.121 235.756 253.013 1.00 0.00 C +ATOM 25 CA GLY A 25 257.803 234.855 254.655 1.00 0.00 C +ATOM 26 CA LEU A 26 254.701 234.514 256.841 1.00 0.00 C +ATOM 27 CA ALA A 27 251.485 236.540 256.580 1.00 0.00 C +ATOM 28 CA VAL A 28 248.691 236.428 259.168 1.00 0.00 C +ATOM 29 CA THR A 29 245.699 234.158 259.810 1.00 0.00 C +ATOM 30 CA MET A 30 245.045 230.411 259.591 1.00 0.00 C +ATOM 31 CA ALA A 31 242.988 227.263 260.206 1.00 0.00 C +ATOM 32 CA SER A 32 244.672 224.144 258.809 1.00 0.00 C +ATOM 33 CA SER A 33 243.781 221.040 256.787 1.00 0.00 C +ATOM 34 CA ILE A 34 244.065 221.877 253.081 1.00 0.00 C +ATOM 35 CA ASP A 35 245.599 224.623 250.931 1.00 0.00 C +ATOM 36 CA GLN A 36 245.994 225.774 247.321 1.00 0.00 C +ATOM 37 CA GLY A 37 245.861 223.201 244.514 1.00 0.00 C +ATOM 38 CA HIS A 38 247.947 224.551 241.625 1.00 0.00 C +ATOM 39 CA LEU A 39 251.653 225.092 242.321 1.00 0.00 C +ATOM 40 CA GLY A 40 254.619 227.145 243.548 1.00 0.00 C +ATOM 41 CA ASN A 41 256.724 229.644 245.508 1.00 0.00 C +ATOM 42 CA PRO A 42 254.752 232.346 247.333 1.00 0.00 C +ATOM 43 CA GLU A 43 250.946 232.428 247.495 1.00 0.00 C +ATOM 44 CA GLN A 44 247.685 232.264 249.458 1.00 0.00 C +ATOM 45 CA SER A 45 245.805 235.539 248.951 1.00 0.00 C +ATOM 46 CA ALA A 46 243.403 238.495 249.034 1.00 0.00 C +ATOM 47 CA MET A 47 243.900 242.072 250.247 1.00 0.00 C +ATOM 48 CA LEU A 48 245.149 245.433 248.957 1.00 0.00 C +ATOM 49 CA PRO A 49 247.700 248.156 248.185 1.00 0.00 C +ATOM 50 CA GLN A 50 249.779 250.923 249.778 1.00 0.00 C +ATOM 51 CA LEU A 51 253.044 250.933 251.742 1.00 0.00 C +ATOM 52 CA ASN A 52 253.941 249.813 255.271 1.00 0.00 C +ATOM 53 CA THR A 53 255.140 250.483 258.825 1.00 0.00 C +ATOM 54 CA PRO A 54 255.658 254.212 259.415 1.00 0.00 C +ATOM 55 CA SER A 55 258.389 256.801 258.824 1.00 0.00 C +ATOM 56 CA ARG A 56 260.013 259.623 256.845 1.00 0.00 C +ATOM 57 CA SER A 57 257.603 262.573 256.911 1.00 0.00 C +ATOM 58 CA ALA A 58 258.205 266.254 257.690 1.00 0.00 C +ATOM 59 CA LEU A 59 259.638 268.526 254.989 1.00 0.00 C +ATOM 60 CA SER A 60 256.943 269.655 252.544 1.00 0.00 C +ATOM 61 CA SER A 61 254.269 271.398 254.625 1.00 0.00 C +ATOM 62 CA GLU A 62 253.648 271.318 258.383 1.00 0.00 C +ATOM 63 CA LEU A 63 256.260 271.928 261.089 1.00 0.00 C +ATOM 64 CA SER A 64 255.783 269.438 263.933 1.00 0.00 C +ATOM 65 CA LEU A 65 252.187 269.107 265.147 1.00 0.00 C +ATOM 66 CA SER A 66 249.950 272.099 265.896 1.00 0.00 C +ATOM 67 CA GLY A 67 249.001 273.444 262.460 1.00 0.00 C +ATOM 68 CA THR A 68 247.779 271.051 259.759 1.00 0.00 C +ATOM 69 CA PRO A 69 244.757 270.041 257.670 1.00 0.00 C +ATOM 70 CA GLY A 70 241.781 272.319 256.989 1.00 0.00 C +ATOM 71 CA ASP A 71 240.797 275.336 259.098 1.00 0.00 C +ATOM 72 CA THR A 72 243.381 277.626 260.709 1.00 0.00 C +ATOM 73 CA LEU A 73 244.403 281.081 259.469 1.00 0.00 C +ATOM 74 CA GLU A 74 247.714 280.655 257.633 1.00 0.00 C +ATOM 75 CA LYS A 75 247.862 279.615 253.970 1.00 0.00 C +ATOM 76 CA PHE A 76 244.753 277.534 253.251 1.00 0.00 C +ATOM 77 CA VAL A 77 244.117 274.138 251.644 1.00 0.00 C +ATOM 78 CA GLU A 78 245.784 270.857 250.661 1.00 0.00 C +ATOM 79 CA GLY A 79 247.880 269.594 247.740 1.00 0.00 C +ATOM 80 CA LEU A 80 245.796 267.845 245.073 1.00 0.00 C +TER 81 LEU A 80 +END diff --git a/Mammals/Q4G0Z0/Q4G0Z0.dcd b/Mammals/Q4G0Z0/Q4G0Z0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..68f298e765460112999d674507bb6f4905cbeb08 --- /dev/null +++ b/Mammals/Q4G0Z0/Q4G0Z0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:46ae19c26f9fc1c95bcf04fc29d0537f438fcf84e61474870aa25be726e2b9d2 +size 146320276 diff --git a/Mammals/Q4G0Z0/top.pdb b/Mammals/Q4G0Z0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f7ad985c86a21cd420ae3162240d7ff9c323ca3d --- /dev/null +++ b/Mammals/Q4G0Z0/top.pdb @@ -0,0 +1,607 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 1400.000 1400.000 1400.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ARG A 1 717.409 711.935 699.754 1.00 0.00 C +ATOM 2 CA THR A 2 717.502 712.630 696.009 1.00 0.00 C +ATOM 3 CA SER A 3 717.487 712.155 692.229 1.00 0.00 C +ATOM 4 CA PRO A 4 720.228 713.109 689.761 1.00 0.00 C +ATOM 5 CA PHE A 5 723.583 713.914 691.377 1.00 0.00 C +ATOM 6 CA ALA A 6 727.203 714.557 692.378 1.00 0.00 C +ATOM 7 CA PRO A 7 730.609 713.138 693.325 1.00 0.00 C +ATOM 8 CA THR A 8 733.892 715.002 692.809 1.00 0.00 C +ATOM 9 CA MET A 9 737.013 712.817 692.785 1.00 0.00 C +ATOM 10 CA SER A 10 740.519 714.174 693.404 1.00 0.00 C +ATOM 11 CA SER A 11 741.049 716.862 690.756 1.00 0.00 C +ATOM 12 CA PRO A 12 738.570 718.371 688.288 1.00 0.00 C +ATOM 13 CA LYS A 13 735.354 717.887 686.303 1.00 0.00 C +ATOM 14 CA ARG A 14 731.798 716.892 687.241 1.00 0.00 C +ATOM 15 CA SER A 15 729.567 715.576 684.447 1.00 0.00 C +ATOM 16 CA SER A 16 729.784 712.257 682.590 1.00 0.00 C +ATOM 17 CA LYS A 17 729.043 712.589 678.867 1.00 0.00 C +ATOM 18 CA PRO A 18 726.006 711.939 676.659 1.00 0.00 C +ATOM 19 CA SER A 19 722.902 711.375 678.795 1.00 0.00 C +ATOM 20 CA MET A 20 722.939 713.764 681.762 1.00 0.00 C +ATOM 21 CA SER A 21 724.360 717.211 680.976 1.00 0.00 C +ATOM 22 CA LEU A 22 724.479 720.789 679.673 1.00 0.00 C +ATOM 23 CA ALA A 23 725.424 721.598 676.072 1.00 0.00 C +ATOM 24 CA PRO A 24 726.983 723.592 673.224 1.00 0.00 C +ATOM 25 CA SER A 25 726.431 721.812 669.900 1.00 0.00 C +ATOM 26 CA GLY A 26 729.195 721.669 667.282 1.00 0.00 C +ATOM 27 CA SER A 27 730.101 719.000 664.718 1.00 0.00 C +ATOM 28 CA SER A 28 732.143 716.224 663.094 1.00 0.00 C +ATOM 29 CA MET A 29 730.980 714.318 660.007 1.00 0.00 C +ATOM 30 CA PRO A 30 728.813 716.256 657.544 1.00 0.00 C +ATOM 31 CA THR A 31 728.757 714.960 653.961 1.00 0.00 C +ATOM 32 CA ALA A 32 726.469 715.456 650.955 1.00 0.00 C +ATOM 33 CA ASP A 33 725.378 712.078 649.571 1.00 0.00 C +ATOM 34 CA PRO A 34 725.374 710.253 646.227 1.00 0.00 C +ATOM 35 CA LYS A 35 722.147 709.840 644.244 1.00 0.00 C +ATOM 36 CA PRO A 36 721.622 712.639 641.713 1.00 0.00 C +ATOM 37 CA PRO A 37 723.818 712.688 638.600 1.00 0.00 C +ATOM 38 CA ALA A 38 724.544 710.157 635.846 1.00 0.00 C +ATOM 39 CA SER A 39 728.010 708.574 635.846 1.00 0.00 C +ATOM 40 CA LEU A 40 729.364 708.516 632.285 1.00 0.00 C +ATOM 41 CA LYS A 41 728.861 710.099 628.856 1.00 0.00 C +ATOM 42 CA SER A 42 729.694 711.662 625.483 1.00 0.00 C +ATOM 43 CA THR A 43 731.627 709.950 622.682 1.00 0.00 C +ATOM 44 CA LYS A 44 732.233 712.380 619.811 1.00 0.00 C +ATOM 45 CA SER A 45 734.340 715.476 619.110 1.00 0.00 C +ATOM 46 CA ALA A 46 733.791 718.830 620.831 1.00 0.00 C +ATOM 47 CA THR A 47 730.853 720.952 622.007 1.00 0.00 C +ATOM 48 CA PRO A 48 728.638 722.142 619.144 1.00 0.00 C +ATOM 49 CA ASN A 49 725.211 723.092 620.510 1.00 0.00 C +ATOM 50 CA ARG A 50 721.471 722.531 620.042 1.00 0.00 C +ATOM 51 CA SER A 51 721.151 719.833 617.372 1.00 0.00 C +ATOM 52 CA LEU A 52 717.700 719.978 615.764 1.00 0.00 C +ATOM 53 CA VAL A 53 714.843 722.174 617.002 1.00 0.00 C +ATOM 54 CA PRO A 54 714.174 725.464 615.200 1.00 0.00 C +ATOM 55 CA THR A 55 711.348 727.280 616.999 1.00 0.00 C +ATOM 56 CA LYS A 56 708.629 729.141 618.912 1.00 0.00 C +ATOM 57 CA PRO A 57 710.426 731.420 621.379 1.00 0.00 C +ATOM 58 CA ALA A 58 711.958 734.881 620.938 1.00 0.00 C +ATOM 59 CA THR A 59 715.767 734.872 620.852 1.00 0.00 C +ATOM 60 CA SER A 60 717.460 735.131 624.255 1.00 0.00 C +ATOM 61 CA ARG A 61 716.780 733.941 627.810 1.00 0.00 C +ATOM 62 CA ASN A 62 719.071 731.164 629.057 1.00 0.00 C +ATOM 63 CA SER A 63 717.602 729.499 632.153 1.00 0.00 C +ATOM 64 CA VAL A 64 713.926 729.922 633.059 1.00 0.00 C +ATOM 65 CA MET A 65 710.191 730.067 632.317 1.00 0.00 C +ATOM 66 CA SER A 66 706.801 731.265 631.058 1.00 0.00 C +ATOM 67 CA PRO A 67 703.582 733.205 631.683 1.00 0.00 C +ATOM 68 CA SER A 68 703.869 736.875 632.667 1.00 0.00 C +ATOM 69 CA SER A 69 701.731 739.632 631.139 1.00 0.00 C +ATOM 70 CA SER A 70 700.833 742.397 633.602 1.00 0.00 C +ATOM 71 CA LYS A 71 698.736 744.900 631.638 1.00 0.00 C +ATOM 72 CA SER A 72 696.003 744.704 628.991 1.00 0.00 C +ATOM 73 CA THR A 73 694.792 741.317 627.733 1.00 0.00 C +ATOM 74 CA LYS A 74 696.200 738.782 625.263 1.00 0.00 C +ATOM 75 CA SER A 75 695.520 737.233 621.849 1.00 0.00 C +ATOM 76 CA THR A 76 692.210 735.854 620.561 1.00 0.00 C +ATOM 77 CA SER A 77 691.987 732.247 619.354 1.00 0.00 C +ATOM 78 CA THR A 78 692.128 728.628 620.537 1.00 0.00 C +ATOM 79 CA LYS A 79 694.973 728.512 623.068 1.00 0.00 C +ATOM 80 CA ARG A 80 694.627 726.942 626.522 1.00 0.00 C +ATOM 81 CA ALA A 81 696.154 725.534 629.716 1.00 0.00 C +ATOM 82 CA PRO A 82 699.610 724.227 630.647 1.00 0.00 C +ATOM 83 CA SER A 83 702.374 723.888 633.247 1.00 0.00 C +ATOM 84 CA ASN A 84 705.728 723.695 635.045 1.00 0.00 C +ATOM 85 CA ARG A 85 707.844 721.864 637.630 1.00 0.00 C +ATOM 86 CA PRO A 86 705.589 720.279 640.261 1.00 0.00 C +ATOM 87 CA SER A 87 703.844 721.442 643.441 1.00 0.00 C +ATOM 88 CA SER A 88 702.341 724.797 644.441 1.00 0.00 C +ATOM 89 CA ARG A 89 703.485 728.209 645.692 1.00 0.00 C +ATOM 90 CA SER A 90 707.055 729.122 646.662 1.00 0.00 C +ATOM 91 CA ARG A 91 708.944 728.075 649.800 1.00 0.00 C +ATOM 92 CA VAL A 92 709.820 729.755 653.106 1.00 0.00 C +ATOM 93 CA ARG A 93 712.812 728.307 654.967 1.00 0.00 C +ATOM 94 CA SER A 94 715.082 728.044 658.016 1.00 0.00 C +ATOM 95 CA LYS A 95 715.310 727.054 661.688 1.00 0.00 C +ATOM 96 CA ALA A 96 713.419 726.248 664.896 1.00 0.00 C +ATOM 97 CA ARG A 97 711.164 728.038 667.391 1.00 0.00 C +ATOM 98 CA THR A 98 711.286 729.700 670.818 1.00 0.00 C +ATOM 99 CA PRO A 99 709.057 731.203 673.517 1.00 0.00 C +ATOM 100 CA SER A 100 709.709 734.952 673.339 1.00 0.00 C +ATOM 101 CA ARG A 101 708.240 736.599 670.233 1.00 0.00 C +ATOM 102 CA VAL A 102 707.933 734.393 667.142 1.00 0.00 C +ATOM 103 CA SER A 103 707.272 736.032 663.767 1.00 0.00 C +ATOM 104 CA THR A 104 706.889 737.953 660.499 1.00 0.00 C +ATOM 105 CA ASP A 105 705.400 739.019 657.158 1.00 0.00 C +ATOM 106 CA THR A 106 703.946 737.183 654.152 1.00 0.00 C +ATOM 107 CA ARG A 107 702.136 738.899 651.272 1.00 0.00 C +ATOM 108 CA THR A 108 698.909 737.211 650.151 1.00 0.00 C +ATOM 109 CA SER A 109 696.410 736.643 652.970 1.00 0.00 C +ATOM 110 CA LYS A 110 697.124 735.931 656.644 1.00 0.00 C +ATOM 111 CA ALA A 111 695.776 734.343 659.834 1.00 0.00 C +ATOM 112 CA SER A 112 698.032 732.221 662.053 1.00 0.00 C +ATOM 113 CA LYS A 113 696.951 729.689 664.687 1.00 0.00 C +ATOM 114 CA ALA A 114 694.031 727.394 665.540 1.00 0.00 C +ATOM 115 CA SER A 115 693.031 723.844 666.495 1.00 0.00 C +ATOM 116 CA ASP A 116 693.184 722.745 670.139 1.00 0.00 C +ATOM 117 CA VAL A 117 696.082 722.247 672.562 1.00 0.00 C +ATOM 118 CA ARG A 118 694.943 719.880 675.322 1.00 0.00 C +ATOM 119 CA CYS A 119 695.771 721.194 678.801 1.00 0.00 C +ATOM 120 CA HIS A 120 697.958 724.303 679.067 1.00 0.00 C +ATOM 121 CA GLN A 121 695.614 727.305 679.166 1.00 0.00 C +ATOM 122 CA ARG A 122 696.813 729.524 682.021 1.00 0.00 C +ATOM 123 CA ARG A 123 699.488 732.235 682.115 1.00 0.00 C +ATOM 124 CA GLY A 124 701.103 735.545 681.139 1.00 0.00 C +ATOM 125 CA THR A 125 703.026 737.309 678.363 1.00 0.00 C +ATOM 126 CA HIS A 126 700.513 737.845 675.550 1.00 0.00 C +ATOM 127 CA SER A 127 700.125 735.155 672.880 1.00 0.00 C +ATOM 128 CA ARG A 128 697.661 732.466 671.778 1.00 0.00 C +ATOM 129 CA GLY A 129 699.217 729.070 671.025 1.00 0.00 C +ATOM 130 CA ARG A 130 701.446 727.479 668.376 1.00 0.00 C +ATOM 131 CA THR A 131 704.824 727.792 666.643 1.00 0.00 C +ATOM 132 CA PRO A 132 705.247 729.644 663.340 1.00 0.00 C +ATOM 133 CA GLY A 133 704.843 728.226 659.827 1.00 0.00 C +ATOM 134 CA ARG A 134 704.294 725.230 657.539 1.00 0.00 C +ATOM 135 CA ARG A 135 702.106 726.376 654.637 1.00 0.00 C +ATOM 136 CA GLY A 136 699.884 729.040 653.062 1.00 0.00 C +ATOM 137 CA SER A 137 698.450 731.146 650.230 1.00 0.00 C +ATOM 138 CA ARG A 138 697.673 731.567 646.523 1.00 0.00 C +ATOM 139 CA SER A 139 697.703 730.785 642.795 1.00 0.00 C +ATOM 140 CA SER A 140 699.942 733.435 641.218 1.00 0.00 C +ATOM 141 CA LYS A 141 698.465 736.739 640.029 1.00 0.00 C +ATOM 142 CA ARG A 142 695.663 737.983 637.766 1.00 0.00 C +ATOM 143 CA SER A 143 692.668 739.969 639.030 1.00 0.00 C +ATOM 144 CA PRO A 144 693.683 742.482 641.708 1.00 0.00 C +ATOM 145 CA SER A 145 693.956 746.282 641.675 1.00 0.00 C +ATOM 146 CA ARG A 146 692.498 747.596 644.940 1.00 0.00 C +ATOM 147 CA ALA A 147 694.333 747.556 648.279 1.00 0.00 C +ATOM 148 CA SER A 148 696.804 744.786 649.136 1.00 0.00 C +ATOM 149 CA THR A 149 700.608 744.989 649.048 1.00 0.00 C +ATOM 150 CA PRO A 150 702.787 746.162 646.151 1.00 0.00 C +ATOM 151 CA GLY A 151 706.396 745.114 645.526 1.00 0.00 C +ATOM 152 CA ARG A 152 708.366 742.680 643.357 1.00 0.00 C +ATOM 153 CA ILE A 153 707.252 740.379 640.532 1.00 0.00 C +ATOM 154 CA ARG A 154 707.519 736.579 640.597 1.00 0.00 C +ATOM 155 CA THR A 155 706.616 733.106 639.317 1.00 0.00 C +ATOM 156 CA HIS A 156 705.404 729.494 639.314 1.00 0.00 C +ATOM 157 CA GLY A 157 702.135 727.570 638.957 1.00 0.00 C +ATOM 158 CA ALA A 158 699.648 724.694 638.711 1.00 0.00 C +ATOM 159 CA ARG A 159 696.962 723.775 641.253 1.00 0.00 C +ATOM 160 CA PRO A 160 695.308 720.371 640.815 1.00 0.00 C +ATOM 161 CA GLY A 161 697.177 717.051 640.765 1.00 0.00 C +ATOM 162 CA MET A 162 697.543 713.341 641.548 1.00 0.00 C +ATOM 163 CA ALA A 163 699.166 709.970 642.270 1.00 0.00 C +ATOM 164 CA SER A 164 702.606 708.360 642.573 1.00 0.00 C +ATOM 165 CA ARG A 165 705.456 705.967 641.756 1.00 0.00 C +ATOM 166 CA VAL A 166 704.693 704.749 638.227 1.00 0.00 C +ATOM 167 CA ARG A 167 706.522 703.157 635.289 1.00 0.00 C +ATOM 168 CA THR A 168 709.938 701.750 634.355 1.00 0.00 C +ATOM 169 CA PRO A 169 711.277 701.162 630.837 1.00 0.00 C +ATOM 170 CA THR A 170 714.577 700.200 629.193 1.00 0.00 C +ATOM 171 CA SER A 171 714.628 698.691 625.694 1.00 0.00 C +ATOM 172 CA GLN A 172 712.484 695.650 624.875 1.00 0.00 C +ATOM 173 CA GLN A 173 711.632 692.984 622.290 1.00 0.00 C +ATOM 174 CA LYS A 174 712.209 689.406 623.465 1.00 0.00 C +ATOM 175 CA GLY A 175 712.075 686.203 621.405 1.00 0.00 C +ATOM 176 CA SER A 176 709.498 683.663 622.600 1.00 0.00 C +ATOM 177 CA ARG A 177 706.753 681.220 623.604 1.00 0.00 C +ATOM 178 CA GLY A 178 706.431 677.630 624.840 1.00 0.00 C +ATOM 179 CA LYS A 179 703.895 677.347 627.668 1.00 0.00 C +ATOM 180 CA SER A 180 704.616 680.335 629.918 1.00 0.00 C +ATOM 181 CA TYR A 181 706.145 682.468 632.680 1.00 0.00 C +ATOM 182 CA GLY A 182 706.884 683.841 636.157 1.00 0.00 C +ATOM 183 CA ARG A 183 708.157 685.844 639.137 1.00 0.00 C +ATOM 184 CA PRO A 184 707.930 689.525 640.095 1.00 0.00 C +ATOM 185 CA ARG A 185 708.010 691.901 643.073 1.00 0.00 C +ATOM 186 CA THR A 186 707.318 695.469 644.213 1.00 0.00 C +ATOM 187 CA SER A 187 708.265 698.343 646.529 1.00 0.00 C +ATOM 188 CA ASN A 188 709.537 699.682 649.861 1.00 0.00 C +ATOM 189 CA ARG A 189 711.598 702.612 651.158 1.00 0.00 C +ATOM 190 CA GLU A 190 709.765 705.848 651.986 1.00 0.00 C +ATOM 191 CA ARG A 191 710.347 709.533 651.212 1.00 0.00 C +ATOM 192 CA SER A 192 709.847 713.069 649.885 1.00 0.00 C +ATOM 193 CA ASP A 193 708.621 716.646 650.357 1.00 0.00 C +ATOM 194 CA SER A 194 705.067 717.857 651.001 1.00 0.00 C +ATOM 195 CA GLN A 195 702.155 716.390 649.030 1.00 0.00 C +ATOM 196 CA PRO A 196 699.386 715.715 651.558 1.00 0.00 C +ATOM 197 CA ARG A 197 696.704 713.132 650.750 1.00 0.00 C +ATOM 198 CA ASN A 198 694.092 711.323 652.853 1.00 0.00 C +ATOM 199 CA LEU A 199 691.015 710.244 654.824 1.00 0.00 C +ATOM 200 CA SER A 200 689.651 706.826 655.810 1.00 0.00 C +ATOM 201 CA LYS A 201 686.834 704.417 656.692 1.00 0.00 C +ATOM 202 CA LYS A 202 686.767 701.132 654.762 1.00 0.00 C +ATOM 203 CA SER A 203 686.033 698.217 652.422 1.00 0.00 C +ATOM 204 CA TYR A 204 686.292 694.589 651.287 1.00 0.00 C +ATOM 205 CA ARG A 205 684.387 691.889 649.391 1.00 0.00 C +ATOM 206 CA PRO A 206 682.645 688.630 650.321 1.00 0.00 C +ATOM 207 CA PRO A 207 682.070 685.973 652.990 1.00 0.00 C +ATOM 208 CA GLY A 208 678.585 685.115 654.270 1.00 0.00 C +ATOM 209 CA GLY A 209 675.924 687.745 654.989 1.00 0.00 C +ATOM 210 CA SER A 210 675.198 691.416 655.703 1.00 0.00 C +ATOM 211 CA GLY A 211 673.433 694.756 656.202 1.00 0.00 C +ATOM 212 CA ILE A 212 674.174 698.037 657.992 1.00 0.00 C +ATOM 213 CA GLY A 213 675.912 699.250 661.158 1.00 0.00 C +ATOM 214 CA ARG A 214 674.631 700.210 664.615 1.00 0.00 C +ATOM 215 CA SER A 215 674.602 702.824 667.387 1.00 0.00 C +ATOM 216 CA SER A 216 675.123 704.900 670.539 1.00 0.00 C +ATOM 217 CA GLU A 217 676.675 703.085 673.508 1.00 0.00 C +ATOM 218 CA LEU A 218 678.169 699.913 674.997 1.00 0.00 C +ATOM 219 CA ALA A 219 680.814 697.964 676.928 1.00 0.00 C +ATOM 220 CA VAL A 220 683.135 695.087 676.007 1.00 0.00 C +ATOM 221 CA THR A 221 683.771 691.598 677.399 1.00 0.00 C +ATOM 222 CA PRO A 222 685.507 689.988 680.385 1.00 0.00 C +ATOM 223 CA SER A 223 685.135 688.558 683.897 1.00 0.00 C +ATOM 224 CA THR A 224 688.485 687.212 685.114 1.00 0.00 C +ATOM 225 CA ALA A 225 689.693 689.693 687.741 1.00 0.00 C +ATOM 226 CA LYS A 226 692.975 688.245 689.025 1.00 0.00 C +ATOM 227 CA CYS A 227 694.938 688.599 692.271 1.00 0.00 C +ATOM 228 CA GLN A 228 694.634 690.088 695.765 1.00 0.00 C +ATOM 229 CA THR A 229 694.792 693.806 696.580 1.00 0.00 C +ATOM 230 CA PRO A 230 694.965 696.017 693.482 1.00 0.00 C +ATOM 231 CA THR A 231 692.746 696.721 690.466 1.00 0.00 C +ATOM 232 CA GLY A 232 689.424 698.134 691.683 1.00 0.00 C +ATOM 233 CA ILE A 233 686.020 699.564 692.624 1.00 0.00 C +ATOM 234 CA PRO A 234 682.748 700.031 694.520 1.00 0.00 C +ATOM 235 CA SER A 235 680.428 700.686 697.470 1.00 0.00 C +ATOM 236 CA LYS A 236 676.771 701.240 698.384 1.00 0.00 C +ATOM 237 CA GLU A 237 676.491 701.866 702.132 1.00 0.00 C +ATOM 238 CA LYS A 238 674.274 703.081 704.982 1.00 0.00 C +ATOM 239 CA SER A 239 671.943 701.884 707.747 1.00 0.00 C +ATOM 240 CA ASP A 240 669.366 699.092 707.465 1.00 0.00 C +ATOM 241 CA ASN A 241 666.033 699.231 709.306 1.00 0.00 C +ATOM 242 CA PRO A 242 663.528 699.430 712.170 1.00 0.00 C +ATOM 243 CA SER A 243 664.071 701.402 715.384 1.00 0.00 C +ATOM 244 CA PRO A 244 663.368 702.118 719.059 1.00 0.00 C +ATOM 245 CA SER A 245 662.399 705.090 721.238 1.00 0.00 C +ATOM 246 CA SER A 246 665.016 705.384 723.991 1.00 0.00 C +ATOM 247 CA SER A 247 664.499 702.454 726.370 1.00 0.00 C +ATOM 248 CA ARG A 248 664.158 699.901 729.178 1.00 0.00 C +ATOM 249 CA LYS A 249 662.309 701.135 732.272 1.00 0.00 C +ATOM 250 CA VAL A 250 660.596 702.922 735.168 1.00 0.00 C +ATOM 251 CA LYS A 251 657.117 702.242 736.563 1.00 0.00 C +ATOM 252 CA SER A 252 654.531 703.390 739.115 1.00 0.00 C +ATOM 253 CA TYR A 253 653.612 706.956 740.094 1.00 0.00 C +ATOM 254 CA GLY A 254 655.048 708.836 743.080 1.00 0.00 C +ATOM 255 CA GLN A 255 655.220 712.297 744.664 1.00 0.00 C +ATOM 256 CA MET A 256 651.799 713.837 744.003 1.00 0.00 C +ATOM 257 CA ILE A 257 648.288 713.656 742.533 1.00 0.00 C +ATOM 258 CA ILE A 258 646.984 712.761 739.066 1.00 0.00 C +ATOM 259 CA PRO A 259 644.939 709.549 739.194 1.00 0.00 C +ATOM 260 CA SER A 260 643.622 709.428 742.767 1.00 0.00 C +ATOM 261 CA ARG A 261 642.935 710.349 746.400 1.00 0.00 C +ATOM 262 CA GLU A 262 642.849 711.742 749.945 1.00 0.00 C +ATOM 263 CA LYS A 263 645.773 710.817 752.206 1.00 0.00 C +ATOM 264 CA SER A 264 649.236 712.362 751.835 1.00 0.00 C +ATOM 265 CA TYR A 265 652.590 710.859 750.833 1.00 0.00 C +ATOM 266 CA SER A 266 652.783 707.057 750.984 1.00 0.00 C +ATOM 267 CA PRO A 267 649.941 704.552 751.384 1.00 0.00 C +ATOM 268 CA THR A 268 646.465 702.995 751.293 1.00 0.00 C +ATOM 269 CA GLU A 269 644.093 701.681 753.970 1.00 0.00 C +ATOM 270 CA MET A 270 644.884 699.785 757.178 1.00 0.00 C +ATOM 271 CA SER A 271 645.773 698.440 760.630 1.00 0.00 C +ATOM 272 CA SER A 272 647.772 697.310 763.670 1.00 0.00 C +ATOM 273 CA ARG A 273 651.225 695.701 763.602 1.00 0.00 C +ATOM 274 CA VAL A 274 653.282 693.032 761.824 1.00 0.00 C +ATOM 275 CA LYS A 275 656.691 691.346 761.606 1.00 0.00 C +ATOM 276 CA SER A 276 660.347 690.273 761.585 1.00 0.00 C +ATOM 277 CA TYR A 277 662.520 691.690 758.795 1.00 0.00 C +ATOM 278 CA ASN A 278 665.385 693.601 760.425 1.00 0.00 C +ATOM 279 CA GLN A 279 666.165 694.779 763.963 1.00 0.00 C +ATOM 280 CA ALA A 280 663.409 694.598 766.587 1.00 0.00 C +ATOM 281 CA SER A 281 660.893 694.472 769.445 1.00 0.00 C +ATOM 282 CA THR A 282 660.866 691.839 772.198 1.00 0.00 C +ATOM 283 CA ARG A 283 660.109 688.498 770.531 1.00 0.00 C +ATOM 284 CA SER A 284 656.814 686.871 769.524 1.00 0.00 C +ATOM 285 CA ARG A 285 657.618 684.103 767.033 1.00 0.00 C +ATOM 286 CA PRO A 286 655.101 684.245 764.176 1.00 0.00 C +ATOM 287 CA GLN A 287 655.217 681.956 761.133 1.00 0.00 C +ATOM 288 CA SER A 288 656.709 679.635 758.505 1.00 0.00 C +ATOM 289 CA HIS A 289 658.796 676.741 759.843 1.00 0.00 C +ATOM 290 CA SER A 290 661.065 673.880 758.757 1.00 0.00 C +ATOM 291 CA GLN A 291 662.966 670.754 759.822 1.00 0.00 C +ATOM 292 CA SER A 292 666.656 670.937 758.889 1.00 0.00 C +ATOM 293 CA ARG A 293 669.992 669.119 759.175 1.00 0.00 C +ATOM 294 CA SER A 294 673.768 669.234 759.669 1.00 0.00 C +ATOM 295 CA PRO A 295 676.763 669.899 761.928 1.00 0.00 C +ATOM 296 CA ARG A 296 677.267 668.690 765.506 1.00 0.00 C +ATOM 297 CA ARG A 297 675.817 671.196 767.983 1.00 0.00 C +ATOM 298 CA SER A 298 676.980 674.086 770.176 1.00 0.00 C +ATOM 299 CA ARG A 299 676.699 676.690 772.943 1.00 0.00 C +ATOM 300 CA SER A 300 678.533 679.857 771.884 1.00 0.00 C +ATOM 301 CA GLY A 301 681.371 679.549 769.360 1.00 0.00 C +ATOM 302 CA SER A 302 683.088 682.407 767.517 1.00 0.00 C +ATOM 303 CA GLN A 303 684.542 681.939 764.026 1.00 0.00 C +ATOM 304 CA LYS A 304 685.300 679.340 761.346 1.00 0.00 C +ATOM 305 CA ARG A 305 685.345 676.899 758.421 1.00 0.00 C +ATOM 306 CA THR A 306 684.804 673.595 756.602 1.00 0.00 C +ATOM 307 CA HIS A 307 684.487 670.085 758.050 1.00 0.00 C +ATOM 308 CA SER A 308 682.883 667.726 760.575 1.00 0.00 C +ATOM 309 CA ARG A 309 684.330 664.474 761.933 1.00 0.00 C +ATOM 310 CA VAL A 310 682.061 662.026 763.771 1.00 0.00 C +ATOM 311 CA ARG A 311 681.442 658.279 763.466 1.00 0.00 C +ATOM 312 CA SER A 312 682.201 655.706 760.761 1.00 0.00 C +ATOM 313 CA HIS A 313 682.984 657.159 757.327 1.00 0.00 C +ATOM 314 CA SER A 314 685.980 659.023 755.890 1.00 0.00 C +ATOM 315 CA TRP A 315 688.425 659.317 752.983 1.00 0.00 C +ATOM 316 CA LYS A 316 688.202 657.433 749.679 1.00 0.00 C +ATOM 317 CA ARG A 317 689.810 654.531 747.806 1.00 0.00 C +ATOM 318 CA ASN A 318 692.895 653.572 745.786 1.00 0.00 C +ATOM 319 CA HIS A 319 692.473 651.968 742.356 1.00 0.00 C +ATOM 320 CA SER A 320 691.279 648.376 742.795 1.00 0.00 C +ATOM 321 CA ARG A 321 689.967 644.824 743.217 1.00 0.00 C +ATOM 322 CA ALA A 322 686.944 642.762 742.158 1.00 0.00 C +ATOM 323 CA ARG A 323 685.951 641.501 738.702 1.00 0.00 C +ATOM 324 CA SER A 324 687.756 639.488 736.018 1.00 0.00 C +ATOM 325 CA ARG A 325 690.033 639.392 732.965 1.00 0.00 C +ATOM 326 CA THR A 326 691.886 636.496 731.324 1.00 0.00 C +ATOM 327 CA ARG A 327 694.952 636.097 729.098 1.00 0.00 C +ATOM 328 CA LYS A 328 698.274 634.502 728.129 1.00 0.00 C +ATOM 329 CA GLY A 329 701.193 636.893 727.600 1.00 0.00 C +ATOM 330 CA ILE A 330 703.297 639.259 729.718 1.00 0.00 C +ATOM 331 CA LEU A 331 702.816 642.970 729.000 1.00 0.00 C +ATOM 332 CA SER A 332 703.396 646.626 729.903 1.00 0.00 C +ATOM 333 CA GLN A 333 705.890 649.404 729.142 1.00 0.00 C +ATOM 334 CA MET A 334 707.190 651.168 732.259 1.00 0.00 C +ATOM 335 CA GLY A 335 706.743 654.901 732.873 1.00 0.00 C +ATOM 336 CA ARG A 336 709.430 657.576 733.252 1.00 0.00 C +ATOM 337 CA HIS A 337 711.724 658.495 736.151 1.00 0.00 C +ATOM 338 CA SER A 338 711.375 656.091 739.086 1.00 0.00 C +ATOM 339 CA GLN A 339 714.603 656.065 741.110 1.00 0.00 C +ATOM 340 CA SER A 340 718.408 656.059 741.309 1.00 0.00 C +ATOM 341 CA ARG A 341 720.700 656.665 738.326 1.00 0.00 C +ATOM 342 CA SER A 342 723.392 659.263 739.042 1.00 0.00 C +ATOM 343 CA HIS A 343 726.059 659.130 741.760 1.00 0.00 C +ATOM 344 CA SER A 344 725.695 660.385 745.338 1.00 0.00 C +ATOM 345 CA LYS A 345 723.926 661.206 748.611 1.00 0.00 C +ATOM 346 CA GLY A 346 723.473 662.357 752.215 1.00 0.00 C +ATOM 347 CA LYS A 347 720.725 664.943 752.740 1.00 0.00 C +ATOM 348 CA SER A 348 718.998 665.919 755.993 1.00 0.00 C +ATOM 349 CA GLN A 349 717.065 668.035 758.503 1.00 0.00 C +ATOM 350 CA ASN A 350 718.588 670.723 760.733 1.00 0.00 C +ATOM 351 CA GLN A 351 716.601 673.823 761.713 1.00 0.00 C +ATOM 352 CA SER A 352 715.186 677.174 760.578 1.00 0.00 C +ATOM 353 CA ARG A 353 717.098 680.447 760.202 1.00 0.00 C +ATOM 354 CA THR A 354 720.579 680.602 758.660 1.00 0.00 C +ATOM 355 CA PRO A 355 722.241 682.933 756.146 1.00 0.00 C +ATOM 356 CA ARG A 356 720.615 682.657 752.711 1.00 0.00 C +ATOM 357 CA ARG A 357 720.083 679.730 750.331 1.00 0.00 C +ATOM 358 CA GLY A 358 720.845 676.001 750.177 1.00 0.00 C +ATOM 359 CA ARG A 359 719.597 673.035 752.218 1.00 0.00 C +ATOM 360 CA SER A 360 717.359 670.121 751.211 1.00 0.00 C +ATOM 361 CA HIS A 361 714.666 667.886 749.705 1.00 0.00 C +ATOM 362 CA ASN A 362 711.816 667.811 747.177 1.00 0.00 C +ATOM 363 CA TRP A 363 708.787 669.161 749.055 1.00 0.00 C +ATOM 364 CA SER A 364 706.764 671.798 747.193 1.00 0.00 C +ATOM 365 CA ARG A 365 704.726 672.899 744.169 1.00 0.00 C +ATOM 366 CA ASN A 366 703.541 673.958 740.706 1.00 0.00 C +ATOM 367 CA PRO A 367 699.877 673.438 739.800 1.00 0.00 C +ATOM 368 CA SER A 368 697.604 671.814 737.209 1.00 0.00 C +ATOM 369 CA LYS A 369 694.710 674.041 736.122 1.00 0.00 C +ATOM 370 CA GLU A 370 691.081 675.122 735.700 1.00 0.00 C +ATOM 371 CA ARG A 371 688.651 676.849 738.073 1.00 0.00 C +ATOM 372 CA SER A 372 690.374 677.761 741.346 1.00 0.00 C +ATOM 373 CA HIS A 373 692.088 680.744 742.985 1.00 0.00 C +ATOM 374 CA SER A 374 694.744 683.266 741.938 1.00 0.00 C +ATOM 375 CA HIS A 375 696.375 684.838 738.874 1.00 0.00 C +ATOM 376 CA SER A 376 699.289 686.530 737.097 1.00 0.00 C +ATOM 377 CA ARG A 377 702.939 687.315 737.856 1.00 0.00 C +ATOM 378 CA SER A 378 706.457 687.206 736.398 1.00 0.00 C +ATOM 379 CA SER A 379 710.084 686.062 736.160 1.00 0.00 C +ATOM 380 CA SER A 380 712.301 685.492 733.115 1.00 0.00 C +ATOM 381 CA LYS A 381 711.885 683.932 729.664 1.00 0.00 C +ATOM 382 CA GLU A 382 711.199 683.158 725.997 1.00 0.00 C +ATOM 383 CA ARG A 383 713.751 681.457 723.737 1.00 0.00 C +ATOM 384 CA ASP A 384 717.002 679.929 722.468 1.00 0.00 C +ATOM 385 CA HIS A 385 716.718 677.362 719.667 1.00 0.00 C +ATOM 386 CA ARG A 386 715.468 674.387 717.641 1.00 0.00 C +ATOM 387 CA GLY A 387 712.358 672.188 717.534 1.00 0.00 C +ATOM 388 CA SER A 388 709.319 670.389 718.962 1.00 0.00 C +ATOM 389 CA SER A 389 706.288 671.252 716.821 1.00 0.00 C +ATOM 390 CA SER A 390 707.279 673.472 713.888 1.00 0.00 C +ATOM 391 CA PRO A 391 707.411 677.053 715.183 1.00 0.00 C +ATOM 392 CA ARG A 392 704.309 679.143 714.459 1.00 0.00 C +ATOM 393 CA LYS A 393 702.745 682.351 713.125 1.00 0.00 C +ATOM 394 CA GLU A 394 701.264 685.658 711.946 1.00 0.00 C +ATOM 395 CA SER A 395 702.300 685.983 708.295 1.00 0.00 C +ATOM 396 CA GLY A 396 705.875 687.267 707.998 1.00 0.00 C +ATOM 397 CA ARG A 397 709.170 685.354 707.979 1.00 0.00 C +ATOM 398 CA SER A 398 709.195 682.567 705.382 1.00 0.00 C +ATOM 399 CA GLN A 399 710.085 680.330 702.429 1.00 0.00 C +ATOM 400 CA SER A 400 713.497 680.007 700.766 1.00 0.00 C +ATOM 401 CA GLY A 401 716.792 678.115 700.478 1.00 0.00 C +ATOM 402 CA SER A 402 718.867 678.626 703.633 1.00 0.00 C +ATOM 403 CA PRO A 403 718.794 675.559 705.893 1.00 0.00 C +ATOM 404 CA ASN A 404 720.162 674.291 709.215 1.00 0.00 C +ATOM 405 CA LYS A 405 721.467 676.972 711.587 1.00 0.00 C +ATOM 406 CA GLN A 406 721.507 678.049 715.241 1.00 0.00 C +ATOM 407 CA ARG A 407 722.886 680.784 717.507 1.00 0.00 C +ATOM 408 CA ASP A 408 721.946 684.430 718.090 1.00 0.00 C +ATOM 409 CA HIS A 409 722.701 687.516 715.986 1.00 0.00 C +ATOM 410 CA SER A 410 723.338 691.192 715.216 1.00 0.00 C +ATOM 411 CA ARG A 411 724.531 694.288 717.089 1.00 0.00 C +ATOM 412 CA SER A 412 727.135 694.595 719.853 1.00 0.00 C +ATOM 413 CA ARG A 413 727.528 694.234 723.625 1.00 0.00 C +ATOM 414 CA SER A 414 725.547 695.908 726.417 1.00 0.00 C +ATOM 415 CA PRO A 415 727.017 699.418 726.612 1.00 0.00 C +ATOM 416 CA ASN A 416 728.928 702.687 726.192 1.00 0.00 C +ATOM 417 CA LYS A 417 726.863 704.955 723.932 1.00 0.00 C +ATOM 418 CA ALA A 418 726.766 708.276 722.067 1.00 0.00 C +ATOM 419 CA ARG A 419 727.957 711.824 722.782 1.00 0.00 C +ATOM 420 CA ASP A 420 727.408 715.480 723.704 1.00 0.00 C +ATOM 421 CA ARG A 421 728.389 717.438 720.587 1.00 0.00 C +ATOM 422 CA SER A 422 730.861 719.894 719.045 1.00 0.00 C +ATOM 423 CA ARG A 423 733.292 721.720 721.341 1.00 0.00 C +ATOM 424 CA SER A 424 731.093 724.009 723.449 1.00 0.00 C +ATOM 425 CA ARG A 425 729.775 723.316 726.956 1.00 0.00 C +ATOM 426 CA SER A 426 726.842 721.716 728.787 1.00 0.00 C +ATOM 427 CA PRO A 427 727.795 718.292 730.158 1.00 0.00 C +ATOM 428 CA TYR A 428 730.394 715.564 729.591 1.00 0.00 C +ATOM 429 CA LYS A 429 733.684 714.543 731.219 1.00 0.00 C +ATOM 430 CA ALA A 430 734.734 710.953 731.945 1.00 0.00 C +ATOM 431 CA ARG A 431 735.464 710.311 735.629 1.00 0.00 C +ATOM 432 CA ASP A 432 738.139 710.539 738.333 1.00 0.00 C +ATOM 433 CA ARG A 433 740.529 707.811 739.501 1.00 0.00 C +ATOM 434 CA SER A 434 742.460 708.256 742.755 1.00 0.00 C +ATOM 435 CA ARG A 435 743.453 706.704 746.090 1.00 0.00 C +ATOM 436 CA SER A 436 747.051 707.841 746.615 1.00 0.00 C +ATOM 437 CA ARG A 437 748.784 708.782 743.355 1.00 0.00 C +ATOM 438 CA SER A 438 748.057 706.936 740.102 1.00 0.00 C +ATOM 439 CA PRO A 439 746.193 703.731 740.980 1.00 0.00 C +ATOM 440 CA ASN A 440 743.334 701.275 741.538 1.00 0.00 C +ATOM 441 CA LYS A 441 743.297 697.469 741.365 1.00 0.00 C +ATOM 442 CA ALA A 442 741.560 694.515 739.700 1.00 0.00 C +ATOM 443 CA ARG A 443 739.337 691.436 739.393 1.00 0.00 C +ATOM 444 CA ASP A 444 737.999 690.835 735.877 1.00 0.00 C +ATOM 445 CA CYS A 445 739.546 691.126 732.407 1.00 0.00 C +ATOM 446 CA SER A 446 741.216 689.839 729.233 1.00 0.00 C +ATOM 447 CA ARG A 447 739.277 687.535 726.898 1.00 0.00 C +ATOM 448 CA SER A 448 738.243 687.128 723.254 1.00 0.00 C +ATOM 449 CA ARG A 449 740.409 685.143 720.829 1.00 0.00 C +ATOM 450 CA SER A 450 742.477 682.052 720.003 1.00 0.00 C +ATOM 451 CA PRO A 451 743.707 680.594 723.301 1.00 0.00 C +ATOM 452 CA TYR A 452 741.343 680.916 726.272 1.00 0.00 C +ATOM 453 CA LYS A 453 737.693 680.231 727.126 1.00 0.00 C +ATOM 454 CA ALA A 454 735.732 678.921 724.134 1.00 0.00 C +ATOM 455 CA ARG A 455 731.995 679.652 724.267 1.00 0.00 C +ATOM 456 CA ASP A 456 728.998 677.758 722.872 1.00 0.00 C +ATOM 457 CA ARG A 457 727.282 674.638 724.228 1.00 0.00 C +ATOM 458 CA SER A 458 724.889 674.405 727.184 1.00 0.00 C +ATOM 459 CA ARG A 459 723.696 677.807 728.415 1.00 0.00 C +ATOM 460 CA SER A 460 722.927 679.251 731.856 1.00 0.00 C +ATOM 461 CA ARG A 461 725.264 682.083 732.872 1.00 0.00 C +ATOM 462 CA SER A 462 726.922 685.133 734.444 1.00 0.00 C +ATOM 463 CA PRO A 463 729.140 686.025 737.410 1.00 0.00 C +ATOM 464 CA ASN A 464 729.914 683.573 740.221 1.00 0.00 C +ATOM 465 CA LYS A 465 728.936 681.875 743.489 1.00 0.00 C +ATOM 466 CA ALA A 466 726.541 678.960 742.956 1.00 0.00 C +ATOM 467 CA ARG A 467 723.608 678.699 740.539 1.00 0.00 C +ATOM 468 CA ASP A 468 720.188 677.118 741.109 1.00 0.00 C +ATOM 469 CA HIS A 469 716.677 678.150 742.169 1.00 0.00 C +ATOM 470 CA SER A 470 713.530 680.244 741.693 1.00 0.00 C +ATOM 471 CA ARG A 471 710.554 679.675 744.003 1.00 0.00 C +ATOM 472 CA SER A 472 708.666 682.280 746.044 1.00 0.00 C +ATOM 473 CA ARG A 473 706.363 680.501 748.503 1.00 0.00 C +ATOM 474 CA SER A 474 704.621 677.562 750.190 1.00 0.00 C +ATOM 475 CA PRO A 475 705.586 677.413 753.872 1.00 0.00 C +ATOM 476 CA ASN A 476 709.175 678.657 754.169 1.00 0.00 C +ATOM 477 CA LYS A 477 712.311 676.585 754.792 1.00 0.00 C +ATOM 478 CA ALA A 478 711.772 672.837 755.214 1.00 0.00 C +ATOM 479 CA ARG A 479 708.341 671.839 756.536 1.00 0.00 C +ATOM 480 CA ASP A 480 705.804 671.346 759.335 1.00 0.00 C +ATOM 481 CA ARG A 481 702.190 670.196 758.966 1.00 0.00 C +ATOM 482 CA SER A 482 698.943 668.354 758.206 1.00 0.00 C +ATOM 483 CA ARG A 483 695.637 668.963 756.412 1.00 0.00 C +ATOM 484 CA SER A 484 694.416 668.709 752.812 1.00 0.00 C +ATOM 485 CA ARG A 485 694.135 671.927 750.792 1.00 0.00 C +ATOM 486 CA SER A 486 690.693 673.312 749.921 1.00 0.00 C +ATOM 487 CA PRO A 487 687.512 671.300 749.330 1.00 0.00 C +ATOM 488 CA ASN A 488 684.448 672.390 747.344 1.00 0.00 C +ATOM 489 CA LYS A 489 683.134 675.415 745.437 1.00 0.00 C +ATOM 490 CA GLN A 490 681.705 678.804 746.430 1.00 0.00 C +ATOM 491 CA SER A 491 679.052 681.364 747.393 1.00 0.00 C +ATOM 492 CA GLY A 492 678.124 685.002 746.750 1.00 0.00 C +ATOM 493 CA TYR A 493 675.267 687.342 747.689 1.00 0.00 C +ATOM 494 CA SER A 494 674.351 689.753 744.885 1.00 0.00 C +ATOM 495 CA ARG A 495 677.051 691.912 743.284 1.00 0.00 C +ATOM 496 CA PRO A 496 680.183 689.993 742.274 1.00 0.00 C +ATOM 497 CA ARG A 497 683.809 691.060 742.754 1.00 0.00 C +ATOM 498 CA ALA A 498 685.486 690.433 739.390 1.00 0.00 C +ATOM 499 CA SER A 499 689.179 691.370 739.433 1.00 0.00 C +ATOM 500 CA SER A 500 692.337 689.841 737.951 1.00 0.00 C +ATOM 501 CA LYS A 501 693.183 690.956 734.407 1.00 0.00 C +ATOM 502 CA GLU A 502 691.608 692.790 731.463 1.00 0.00 C +ATOM 503 CA LYS A 503 690.255 694.241 728.210 1.00 0.00 C +ATOM 504 CA ALA A 504 689.961 691.723 725.365 1.00 0.00 C +ATOM 505 CA HIS A 505 691.299 692.130 721.821 1.00 0.00 C +ATOM 506 CA SER A 506 693.502 695.217 721.453 1.00 0.00 C +ATOM 507 CA ARG A 507 697.208 695.543 720.632 1.00 0.00 C +ATOM 508 CA SER A 508 699.648 694.662 717.841 1.00 0.00 C +ATOM 509 CA ARG A 509 701.501 694.559 714.513 1.00 0.00 C +ATOM 510 CA THR A 510 699.352 695.625 711.553 1.00 0.00 C +ATOM 511 CA PRO A 511 695.578 695.999 711.193 1.00 0.00 C +ATOM 512 CA SER A 512 694.731 699.481 712.490 1.00 0.00 C +ATOM 513 CA LYS A 513 692.564 701.691 710.268 1.00 0.00 C +ATOM 514 CA GLU A 514 691.278 703.328 707.077 1.00 0.00 C +ATOM 515 CA GLY A 515 688.598 705.118 705.045 1.00 0.00 C +ATOM 516 CA ASN A 516 689.256 708.846 705.476 1.00 0.00 C +ATOM 517 CA HIS A 517 692.527 709.216 707.394 1.00 0.00 C +ATOM 518 CA SER A 518 696.012 710.117 706.145 1.00 0.00 C +ATOM 519 CA GLN A 519 699.358 711.933 706.283 1.00 0.00 C +ATOM 520 CA SER A 520 701.890 710.558 708.776 1.00 0.00 C +ATOM 521 CA ARG A 521 703.156 710.811 712.361 1.00 0.00 C +ATOM 522 CA THR A 522 704.799 708.080 714.449 1.00 0.00 C +ATOM 523 CA SER A 523 702.580 705.745 716.483 1.00 0.00 C +ATOM 524 CA SER A 524 700.596 702.494 716.389 1.00 0.00 C +ATOM 525 CA LYS A 525 697.609 702.683 718.747 1.00 0.00 C +ATOM 526 CA GLU A 526 694.137 701.126 718.553 1.00 0.00 C +ATOM 527 CA SER A 527 690.630 701.705 719.926 1.00 0.00 C +ATOM 528 CA ASP A 528 687.853 702.121 722.500 1.00 0.00 C +ATOM 529 CA PRO A 529 687.763 698.845 724.443 1.00 0.00 C +ATOM 530 CA SER A 530 687.757 699.716 728.152 1.00 0.00 C +ATOM 531 CA GLN A 531 684.798 699.405 730.532 1.00 0.00 C +ATOM 532 CA SER A 532 683.498 702.807 731.650 1.00 0.00 C +ATOM 533 CA THR A 533 680.930 705.232 733.081 1.00 0.00 C +ATOM 534 CA VAL A 534 677.545 703.582 732.500 1.00 0.00 C +ATOM 535 CA PRO A 535 675.420 701.864 729.846 1.00 0.00 C +ATOM 536 CA ARG A 536 675.168 702.706 726.138 1.00 0.00 C +ATOM 537 CA SER A 537 673.340 700.458 723.664 1.00 0.00 C +ATOM 538 CA PRO A 538 673.699 696.747 722.881 1.00 0.00 C +ATOM 539 CA ASP A 539 677.402 696.174 722.189 1.00 0.00 C +ATOM 540 CA TRP A 540 678.384 695.535 718.564 1.00 0.00 C +ATOM 541 CA LYS A 541 680.776 695.463 715.599 1.00 0.00 C +ATOM 542 CA ARG A 542 684.051 694.081 716.973 1.00 0.00 C +ATOM 543 CA SER A 543 686.945 695.590 715.007 1.00 0.00 C +ATOM 544 CA PRO A 544 687.742 696.411 711.373 1.00 0.00 C +ATOM 545 CA THR A 545 684.814 698.435 710.016 1.00 0.00 C +ATOM 546 CA ARG A 546 684.495 697.906 706.256 1.00 0.00 C +ATOM 547 CA THR A 547 684.389 699.834 702.972 1.00 0.00 C +ATOM 548 CA SER A 548 682.953 703.357 703.173 1.00 0.00 C +ATOM 549 CA SER A 549 682.905 707.166 703.220 1.00 0.00 C +ATOM 550 CA LEU A 550 680.840 710.011 704.688 1.00 0.00 C +ATOM 551 CA SER A 551 678.339 711.883 702.506 1.00 0.00 C +ATOM 552 CA GLN A 552 675.483 712.550 700.075 1.00 0.00 C +ATOM 553 CA ASN A 553 674.526 713.114 696.430 1.00 0.00 C +ATOM 554 CA ARG A 554 672.399 714.762 693.732 1.00 0.00 C +ATOM 555 CA THR A 555 672.276 718.240 692.182 1.00 0.00 C +ATOM 556 CA PRO A 556 670.625 719.597 689.028 1.00 0.00 C +ATOM 557 CA SER A 557 669.065 721.305 686.001 1.00 0.00 C +ATOM 558 CA LYS A 558 668.984 724.766 684.410 1.00 0.00 C +ATOM 559 CA THR A 559 671.644 727.233 685.574 1.00 0.00 C +ATOM 560 CA SER A 560 674.263 729.408 683.862 1.00 0.00 C +ATOM 561 CA SER A 561 676.385 728.362 680.876 1.00 0.00 C +ATOM 562 CA HIS A 562 674.774 726.789 677.803 1.00 0.00 C +ATOM 563 CA SER A 563 673.961 723.135 677.096 1.00 0.00 C +ATOM 564 CA PRO A 564 674.235 719.838 678.986 1.00 0.00 C +ATOM 565 CA SER A 565 676.764 718.340 681.411 1.00 0.00 C +ATOM 566 CA THR A 566 677.991 720.956 683.894 1.00 0.00 C +ATOM 567 CA PHE A 567 681.096 722.830 682.725 1.00 0.00 C +ATOM 568 CA PRO A 568 681.891 725.932 684.789 1.00 0.00 C +ATOM 569 CA SER A 569 685.340 727.533 684.542 1.00 0.00 C +ATOM 570 CA GLY A 570 688.130 727.384 687.131 1.00 0.00 C +ATOM 571 CA GLY A 571 687.625 724.919 689.992 1.00 0.00 C +ATOM 572 CA GLN A 572 688.192 721.494 691.561 1.00 0.00 C +ATOM 573 CA THR A 573 691.123 719.301 690.505 1.00 0.00 C +ATOM 574 CA LEU A 574 692.436 715.918 689.344 1.00 0.00 C +ATOM 575 CA SER A 575 693.017 715.938 685.579 1.00 0.00 C +ATOM 576 CA GLN A 576 690.202 714.017 683.875 1.00 0.00 C +ATOM 577 CA ASP A 577 690.387 710.212 683.924 1.00 0.00 C +ATOM 578 CA ASP A 578 690.076 707.735 686.803 1.00 0.00 C +ATOM 579 CA SER A 579 691.551 707.849 690.314 1.00 0.00 C +ATOM 580 CA GLN A 580 694.342 706.396 692.463 1.00 0.00 C +ATOM 581 CA ALA A 581 692.581 705.062 695.567 1.00 0.00 C +ATOM 582 CA ASP A 582 693.868 706.391 698.898 1.00 0.00 C +ATOM 583 CA ALA A 583 697.283 705.615 700.400 1.00 0.00 C +ATOM 584 CA THR A 584 700.165 706.545 702.711 1.00 0.00 C +ATOM 585 CA THR A 585 703.454 705.403 701.162 1.00 0.00 C +ATOM 586 CA SER A 586 706.128 703.256 702.822 1.00 0.00 C +ATOM 587 CA LYS A 587 709.392 702.974 704.766 1.00 0.00 C +ATOM 588 CA ALA A 588 711.230 702.829 708.100 1.00 0.00 C +ATOM 589 CA THR A 589 708.876 701.233 710.635 1.00 0.00 C +ATOM 590 CA LEU A 590 705.180 702.102 710.957 1.00 0.00 C +ATOM 591 CA PRO A 591 702.261 702.969 708.667 1.00 0.00 C +ATOM 592 CA GLY A 592 698.950 701.694 707.279 1.00 0.00 C +ATOM 593 CA GLU A 593 698.052 698.246 705.929 1.00 0.00 C +ATOM 594 CA ARG A 594 694.561 697.307 704.726 1.00 0.00 C +ATOM 595 CA SER A 595 692.958 694.371 702.901 1.00 0.00 C +ATOM 596 CA SER A 596 693.643 690.697 702.158 1.00 0.00 C +ATOM 597 CA SER A 597 695.331 687.710 703.814 1.00 0.00 C +ATOM 598 CA SER A 598 697.542 685.836 701.340 1.00 0.00 C +ATOM 599 CA SER A 599 698.218 682.088 701.236 1.00 0.00 C +ATOM 600 CA SER A 600 697.234 680.028 698.186 1.00 0.00 C +ATOM 601 CA LYS A 601 697.133 676.512 696.721 1.00 0.00 C +ATOM 602 CA LEU A 602 694.882 673.445 696.922 1.00 0.00 C +ATOM 603 CA ALA A 603 691.149 673.083 697.593 1.00 0.00 C +TER 604 ALA A 603 +END diff --git a/Mammals/Q4G3W8/Q4G3W8.dcd b/Mammals/Q4G3W8/Q4G3W8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..112eb71f3344742bcb138f7d8cbac0b256ace4d5 --- /dev/null +++ b/Mammals/Q4G3W8/Q4G3W8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b4eb20d5b7b35c14ca5e5e1a496ad04952cc5f195081d990ff267dfbbd67f7a1 +size 6320276 diff --git a/Mammals/Q4G3W8/top.pdb b/Mammals/Q4G3W8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5f107a0250f9fefab0eba77c64724d7fa53c6a0d --- /dev/null +++ b/Mammals/Q4G3W8/top.pdb @@ -0,0 +1,50 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 243.180 278.472 223.765 1.00 0.00 C +ATOM 2 CA PHE A 2 240.934 278.366 226.841 1.00 0.00 C +ATOM 3 CA ARG A 3 238.016 275.924 226.637 1.00 0.00 C +ATOM 4 CA HIS A 4 235.553 273.168 227.559 1.00 0.00 C +ATOM 5 CA LYS A 5 232.816 271.665 225.376 1.00 0.00 C +ATOM 6 CA GLY A 6 230.405 269.092 226.820 1.00 0.00 C +ATOM 7 CA THR A 7 226.768 269.742 225.889 1.00 0.00 C +ATOM 8 CA TYR A 8 224.102 270.563 228.484 1.00 0.00 C +ATOM 9 CA HIS A 9 223.275 271.279 232.134 1.00 0.00 C +ATOM 10 CA THR A 10 224.797 270.994 235.615 1.00 0.00 C +ATOM 11 CA ASN A 11 227.329 269.138 237.773 1.00 0.00 C +ATOM 12 CA GLU A 12 229.243 271.359 240.206 1.00 0.00 C +ATOM 13 CA ALA A 13 229.737 270.420 243.865 1.00 0.00 C +ATOM 14 CA LYS A 14 227.582 269.194 246.758 1.00 0.00 C +ATOM 15 CA GLY A 15 226.968 266.094 248.886 1.00 0.00 C +ATOM 16 CA ALA A 16 226.849 262.636 250.481 1.00 0.00 C +ATOM 17 CA GLU A 17 229.966 261.318 252.230 1.00 0.00 C +ATOM 18 CA SER A 18 233.535 260.190 252.943 1.00 0.00 C +ATOM 19 CA ALA A 19 237.299 260.753 253.122 1.00 0.00 C +ATOM 20 CA GLU A 20 240.957 260.676 252.061 1.00 0.00 C +ATOM 21 CA SER A 21 243.987 262.260 253.744 1.00 0.00 C +ATOM 22 CA ALA A 22 245.735 260.397 256.570 1.00 0.00 C +ATOM 23 CA ASP A 23 247.805 261.266 259.649 1.00 0.00 C +ATOM 24 CA ALA A 24 250.483 259.631 261.811 1.00 0.00 C +ATOM 25 CA ALA A 25 254.079 258.652 262.599 1.00 0.00 C +ATOM 26 CA ILE A 26 254.403 255.518 264.742 1.00 0.00 C +ATOM 27 CA MET A 27 252.889 252.073 264.145 1.00 0.00 C +ATOM 28 CA ASN A 28 254.049 249.718 266.906 1.00 0.00 C +ATOM 29 CA ASN A 29 255.598 246.655 265.253 1.00 0.00 C +ATOM 30 CA ASP A 30 255.948 244.036 262.508 1.00 0.00 C +ATOM 31 CA PRO A 31 257.458 240.601 261.847 1.00 0.00 C +ATOM 32 CA ASN A 32 260.296 238.121 261.292 1.00 0.00 C +ATOM 33 CA PHE A 33 261.758 234.606 261.129 1.00 0.00 C +ATOM 34 CA THR A 34 265.224 233.754 259.796 1.00 0.00 C +ATOM 35 CA GLU A 35 268.142 231.889 261.385 1.00 0.00 C +ATOM 36 CA THR A 36 269.180 229.067 259.046 1.00 0.00 C +ATOM 37 CA ILE A 37 270.540 226.714 256.376 1.00 0.00 C +ATOM 38 CA ASP A 38 273.994 225.211 255.806 1.00 0.00 C +ATOM 39 CA GLU A 39 275.657 221.846 256.458 1.00 0.00 C +ATOM 40 CA SER A 40 275.871 218.971 253.967 1.00 0.00 C +ATOM 41 CA LYS A 41 274.489 215.976 255.873 1.00 0.00 C +ATOM 42 CA LYS A 42 276.027 213.920 258.687 1.00 0.00 C +ATOM 43 CA GLU A 43 278.171 210.800 258.250 1.00 0.00 C +ATOM 44 CA TRP A 44 281.880 210.011 257.881 1.00 0.00 C +ATOM 45 CA LEU A 45 283.273 207.795 255.112 1.00 0.00 C +ATOM 46 CA ILE A 46 283.760 209.467 251.723 1.00 0.00 C +TER 47 ILE A 46 +END diff --git a/Mammals/Q4G3X0/Q4G3X0.dcd b/Mammals/Q4G3X0/Q4G3X0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..9c09ad0c910d91eecbff88abc9b70e7f4281f080 --- /dev/null +++ b/Mammals/Q4G3X0/Q4G3X0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d89886256943213be139eb77969a574ae65d5981547a280245f2c3276959e975 +size 12200276 diff --git a/Mammals/Q4G3X0/top.pdb b/Mammals/Q4G3X0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2164c3488fb849f6268107fb46fbb1c708644493 --- /dev/null +++ b/Mammals/Q4G3X0/top.pdb @@ -0,0 +1,99 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ARG A 1 237.769 266.525 278.393 1.00 0.00 C +ATOM 2 CA GLU A 2 241.445 266.592 279.392 1.00 0.00 C +ATOM 3 CA SER A 3 244.344 266.811 281.855 1.00 0.00 C +ATOM 4 CA LEU A 4 247.696 266.358 280.100 1.00 0.00 C +ATOM 5 CA THR A 5 248.400 267.548 276.550 1.00 0.00 C +ATOM 6 CA LEU A 6 249.541 271.148 276.046 1.00 0.00 C +ATOM 7 CA PRO A 7 247.666 273.537 273.746 1.00 0.00 C +ATOM 8 CA SER A 8 247.190 276.787 275.678 1.00 0.00 C +ATOM 9 CA HIS A 9 248.192 276.424 279.336 1.00 0.00 C +ATOM 10 CA SER A 10 247.831 274.361 282.519 1.00 0.00 C +ATOM 11 CA LEU A 11 250.591 272.758 284.600 1.00 0.00 C +ATOM 12 CA GLU A 12 252.891 270.748 286.876 1.00 0.00 C +ATOM 13 CA HIS A 13 255.881 269.492 284.877 1.00 0.00 C +ATOM 14 CA LEU A 14 257.878 266.277 285.314 1.00 0.00 C +ATOM 15 CA GLY A 15 259.053 263.149 283.484 1.00 0.00 C +ATOM 16 CA PRO A 16 262.093 261.905 281.554 1.00 0.00 C +ATOM 17 CA PRO A 17 263.715 263.068 278.309 1.00 0.00 C +ATOM 18 CA HIS A 18 261.550 262.245 275.284 1.00 0.00 C +ATOM 19 CA GLY A 19 258.969 261.201 272.683 1.00 0.00 C +ATOM 20 CA GLY A 20 259.235 263.518 269.670 1.00 0.00 C +ATOM 21 CA GLY A 21 260.554 261.288 266.878 1.00 0.00 C +ATOM 22 CA GLY A 22 263.935 262.058 265.298 1.00 0.00 C +ATOM 23 CA GLY A 23 266.452 263.905 263.113 1.00 0.00 C +ATOM 24 CA GLY A 24 270.248 264.193 263.258 1.00 0.00 C +ATOM 25 CA GLY A 25 272.622 267.170 263.405 1.00 0.00 C +ATOM 26 CA SER A 26 271.134 270.634 263.954 1.00 0.00 C +ATOM 27 CA ASN A 27 270.363 274.287 264.716 1.00 0.00 C +ATOM 28 CA SER A 28 268.505 277.075 262.903 1.00 0.00 C +ATOM 29 CA SER A 29 266.661 279.916 261.159 1.00 0.00 C +ATOM 30 CA GLY A 30 262.868 279.872 260.796 1.00 0.00 C +ATOM 31 CA GLY A 31 259.104 280.303 261.200 1.00 0.00 C +ATOM 32 CA PRO A 32 256.212 278.328 259.700 1.00 0.00 C +ATOM 33 CA PRO A 33 254.626 276.925 256.532 1.00 0.00 C +ATOM 34 CA LEU A 34 251.075 276.883 255.153 1.00 0.00 C +ATOM 35 CA GLY A 35 250.511 274.758 252.041 1.00 0.00 C +ATOM 36 CA PRO A 36 251.165 276.854 248.927 1.00 0.00 C +ATOM 37 CA SER A 37 248.567 276.609 246.151 1.00 0.00 C +ATOM 38 CA HIS A 38 246.037 273.831 245.522 1.00 0.00 C +ATOM 39 CA ARG A 39 242.985 271.571 245.827 1.00 0.00 C +ATOM 40 CA ASP A 40 241.571 268.279 244.531 1.00 0.00 C +ATOM 41 CA THR A 41 240.076 265.139 242.976 1.00 0.00 C +ATOM 42 CA ILE A 42 241.133 261.487 243.234 1.00 0.00 C +ATOM 43 CA SER A 43 241.728 258.713 245.776 1.00 0.00 C +ATOM 44 CA ARG A 44 241.761 259.779 249.434 1.00 0.00 C +ATOM 45 CA SER A 45 241.720 258.901 253.141 1.00 0.00 C +ATOM 46 CA GLY A 46 243.591 257.097 255.927 1.00 0.00 C +ATOM 47 CA MET A 47 245.000 254.171 257.919 1.00 0.00 C +ATOM 48 CA ILE A 48 246.323 251.381 255.687 1.00 0.00 C +ATOM 49 CA LEU A 49 248.582 248.445 254.796 1.00 0.00 C +ATOM 50 CA ARG A 50 251.149 246.201 253.095 1.00 0.00 C +ATOM 51 CA SER A 51 254.011 245.168 255.388 1.00 0.00 C +ATOM 52 CA PRO A 52 252.631 242.520 257.753 1.00 0.00 C +ATOM 53 CA ARG A 53 253.150 238.752 257.524 1.00 0.00 C +ATOM 54 CA PRO A 54 250.876 236.167 255.893 1.00 0.00 C +ATOM 55 CA ASP A 55 248.341 233.336 255.623 1.00 0.00 C +ATOM 56 CA PHE A 56 245.920 231.660 253.206 1.00 0.00 C +ATOM 57 CA ARG A 57 246.184 233.492 249.876 1.00 0.00 C +ATOM 58 CA PRO A 58 245.006 234.940 246.554 1.00 0.00 C +ATOM 59 CA ARG A 59 247.146 234.035 243.535 1.00 0.00 C +ATOM 60 CA GLU A 60 248.226 233.016 240.026 1.00 0.00 C +ATOM 61 CA PRO A 61 249.590 235.931 237.985 1.00 0.00 C +ATOM 62 CA PHE A 62 251.148 238.900 236.177 1.00 0.00 C +ATOM 63 CA LEU A 63 254.283 241.017 235.723 1.00 0.00 C +ATOM 64 CA SER A 64 253.867 243.534 232.894 1.00 0.00 C +ATOM 65 CA ARG A 65 251.164 246.215 232.743 1.00 0.00 C +ATOM 66 CA ASP A 66 251.184 248.806 235.536 1.00 0.00 C +ATOM 67 CA PRO A 67 248.385 249.141 238.100 1.00 0.00 C +ATOM 68 CA PHE A 68 246.683 252.043 239.888 1.00 0.00 C +ATOM 69 CA HIS A 69 244.829 253.932 242.629 1.00 0.00 C +ATOM 70 CA SER A 70 241.115 253.153 242.297 1.00 0.00 C +ATOM 71 CA LEU A 71 239.231 249.853 242.570 1.00 0.00 C +ATOM 72 CA LYS A 72 240.512 247.570 245.338 1.00 0.00 C +ATOM 73 CA ARG A 73 241.602 243.982 244.664 1.00 0.00 C +ATOM 74 CA PRO A 74 242.451 240.271 244.528 1.00 0.00 C +ATOM 75 CA ARG A 75 242.443 238.734 241.041 1.00 0.00 C +ATOM 76 CA PRO A 76 242.608 238.175 237.276 1.00 0.00 C +ATOM 77 CA PRO A 77 244.196 235.926 234.642 1.00 0.00 C +ATOM 78 CA PHE A 78 245.123 232.406 233.518 1.00 0.00 C +ATOM 79 CA ALA A 79 247.388 230.012 231.606 1.00 0.00 C +ATOM 80 CA ARG A 80 250.307 229.077 229.343 1.00 0.00 C +ATOM 81 CA GLY A 81 250.715 228.700 225.574 1.00 0.00 C +ATOM 82 CA PRO A 82 248.364 227.898 222.685 1.00 0.00 C +ATOM 83 CA PRO A 83 248.643 224.666 220.687 1.00 0.00 C +ATOM 84 CA PHE A 84 246.858 222.044 218.576 1.00 0.00 C +ATOM 85 CA PHE A 85 246.314 218.697 216.839 1.00 0.00 C +ATOM 86 CA ALA A 86 243.915 216.322 215.073 1.00 0.00 C +ATOM 87 CA PRO A 87 243.856 213.219 217.284 1.00 0.00 C +ATOM 88 CA LYS A 88 241.461 210.274 216.958 1.00 0.00 C +ATOM 89 CA ARG A 89 242.818 207.370 214.899 1.00 0.00 C +ATOM 90 CA PRO A 90 243.207 203.713 215.893 1.00 0.00 C +ATOM 91 CA PHE A 91 244.209 200.516 214.079 1.00 0.00 C +ATOM 92 CA PHE A 92 244.277 200.387 210.271 1.00 0.00 C +ATOM 93 CA PRO A 93 241.990 197.476 209.373 1.00 0.00 C +ATOM 94 CA PRO A 94 242.591 196.448 205.754 1.00 0.00 C +ATOM 95 CA ARG A 95 242.999 194.003 202.860 1.00 0.00 C +TER 96 ARG A 95 +END diff --git a/Mammals/Q4JCS9/Q4JCS9.dcd b/Mammals/Q4JCS9/Q4JCS9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d2f522f0ab5dcde5b9a50d70cbd13c534cb8ae19 --- /dev/null +++ b/Mammals/Q4JCS9/Q4JCS9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:53be9aa4a91d8beffedab5ec5abc5b2cea21781cd0a32780b60e99503ebc1506 +size 10520276 diff --git a/Mammals/Q4JCS9/top.pdb b/Mammals/Q4JCS9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2437effd3c65a91028d859ec233ceb50b11264f1 --- /dev/null +++ b/Mammals/Q4JCS9/top.pdb @@ -0,0 +1,85 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ALA A 1 247.726 265.369 229.257 1.00 0.00 C +ATOM 2 CA GLN A 2 245.094 262.615 229.265 1.00 0.00 C +ATOM 3 CA HIS A 3 243.855 260.285 226.517 1.00 0.00 C +ATOM 4 CA PRO A 4 241.181 257.597 226.887 1.00 0.00 C +ATOM 5 CA GLU A 5 242.292 253.957 227.065 1.00 0.00 C +ATOM 6 CA ASN A 6 241.772 250.442 225.689 1.00 0.00 C +ATOM 7 CA VAL A 7 242.614 246.828 224.827 1.00 0.00 C +ATOM 8 CA ARG A 8 245.815 246.919 222.762 1.00 0.00 C +ATOM 9 CA LEU A 9 246.869 243.728 220.969 1.00 0.00 C +ATOM 10 CA ARG A 10 249.998 241.587 220.593 1.00 0.00 C +ATOM 11 CA ARG A 11 253.267 243.478 221.100 1.00 0.00 C +ATOM 12 CA GLY A 12 255.767 241.696 223.356 1.00 0.00 C +ATOM 13 CA PRO A 13 255.795 238.318 225.119 1.00 0.00 C +ATOM 14 CA ARG A 14 256.705 238.423 228.817 1.00 0.00 C +ATOM 15 CA PRO A 15 258.136 241.181 231.022 1.00 0.00 C +ATOM 16 CA ALA A 16 258.981 244.882 231.341 1.00 0.00 C +ATOM 17 CA LEU A 17 260.248 247.393 233.911 1.00 0.00 C +ATOM 18 CA PRO A 18 261.961 250.106 235.965 1.00 0.00 C +ATOM 19 CA PRO A 19 262.605 253.815 236.554 1.00 0.00 C +ATOM 20 CA ARG A 20 263.970 255.931 233.695 1.00 0.00 C +ATOM 21 CA VAL A 21 261.153 256.599 231.219 1.00 0.00 C +ATOM 22 CA HIS A 22 260.005 253.992 228.689 1.00 0.00 C +ATOM 23 CA SER A 23 256.574 252.597 229.585 1.00 0.00 C +ATOM 24 CA ALA A 24 254.386 249.569 228.834 1.00 0.00 C +ATOM 25 CA ARG A 25 251.934 247.371 230.749 1.00 0.00 C +ATOM 26 CA LEU A 26 251.616 244.067 228.879 1.00 0.00 C +ATOM 27 CA GLN A 27 248.706 241.830 229.902 1.00 0.00 C +ATOM 28 CA ARG A 28 246.482 240.669 232.769 1.00 0.00 C +ATOM 29 CA ARG A 29 245.105 237.998 235.111 1.00 0.00 C +ATOM 30 CA GLY A 30 244.238 238.942 238.699 1.00 0.00 C +ATOM 31 CA LEU A 31 247.288 240.570 240.299 1.00 0.00 C +ATOM 32 CA HIS A 32 250.331 242.481 239.031 1.00 0.00 C +ATOM 33 CA ARG A 33 253.411 244.722 238.943 1.00 0.00 C +ATOM 34 CA PRO A 34 256.329 246.882 240.101 1.00 0.00 C +ATOM 35 CA GLU A 35 257.654 247.942 243.512 1.00 0.00 C +ATOM 36 CA ARG A 36 255.902 250.480 245.749 1.00 0.00 C +ATOM 37 CA GLY A 37 254.418 249.949 249.217 1.00 0.00 C +ATOM 38 CA PRO A 38 251.089 250.905 250.805 1.00 0.00 C +ATOM 39 CA ALA A 39 250.285 249.563 254.280 1.00 0.00 C +ATOM 40 CA LEU A 40 248.630 250.903 257.439 1.00 0.00 C +ATOM 41 CA GLN A 41 250.933 252.872 259.748 1.00 0.00 C +ATOM 42 CA ASP A 42 253.663 253.929 262.187 1.00 0.00 C +ATOM 43 CA ARG A 43 254.867 253.578 265.785 1.00 0.00 C +ATOM 44 CA GLY A 44 258.070 251.939 267.036 1.00 0.00 C +ATOM 45 CA GLY A 45 259.243 250.706 270.446 1.00 0.00 C +ATOM 46 CA HIS A 46 258.179 249.725 273.970 1.00 0.00 C +ATOM 47 CA SER A 47 256.691 250.917 277.269 1.00 0.00 C +ATOM 48 CA GLY A 48 254.442 251.016 280.343 1.00 0.00 C +ATOM 49 CA ALA A 49 255.620 252.166 283.779 1.00 0.00 C +ATOM 50 CA ASP A 50 254.572 255.670 284.849 1.00 0.00 C +ATOM 51 CA HIS A 51 255.723 258.666 282.795 1.00 0.00 C +ATOM 52 CA PRO A 52 253.686 261.753 283.710 1.00 0.00 C +ATOM 53 CA PRO A 53 250.430 262.692 281.970 1.00 0.00 C +ATOM 54 CA GLN A 54 248.703 262.810 278.575 1.00 0.00 C +ATOM 55 CA VAL A 55 250.556 265.197 276.254 1.00 0.00 C +ATOM 56 CA GLY A 56 252.343 263.181 273.560 1.00 0.00 C +ATOM 57 CA GLY A 57 254.399 261.925 270.609 1.00 0.00 C +ATOM 58 CA ARG A 58 255.320 258.278 271.216 1.00 0.00 C +ATOM 59 CA ARG A 59 252.745 255.826 272.585 1.00 0.00 C +ATOM 60 CA CYS A 60 251.380 254.873 276.012 1.00 0.00 C +ATOM 61 CA GLY A 61 248.797 252.161 276.711 1.00 0.00 C +ATOM 62 CA GLY A 62 246.787 249.040 277.571 1.00 0.00 C +ATOM 63 CA ALA A 63 244.772 247.292 274.851 1.00 0.00 C +ATOM 64 CA GLY A 64 245.888 248.230 271.330 1.00 0.00 C +ATOM 65 CA GLU A 65 243.890 245.905 269.068 1.00 0.00 C +ATOM 66 CA GLU A 66 243.151 245.877 265.330 1.00 0.00 C +ATOM 67 CA LEU A 67 241.957 248.804 263.204 1.00 0.00 C +ATOM 68 CA PRO A 68 240.979 252.343 262.186 1.00 0.00 C +ATOM 69 CA GLY A 69 237.469 253.814 262.372 1.00 0.00 C +ATOM 70 CA GLY A 70 235.207 253.137 259.382 1.00 0.00 C +ATOM 71 CA LEU A 71 235.214 252.623 255.607 1.00 0.00 C +ATOM 72 CA MET A 72 236.362 249.722 253.419 1.00 0.00 C +ATOM 73 CA ARG A 73 238.634 249.182 250.408 1.00 0.00 C +ATOM 74 CA GLY A 74 242.327 249.769 249.678 1.00 0.00 C +ATOM 75 CA VAL A 75 244.966 251.101 247.275 1.00 0.00 C +ATOM 76 CA ALA A 76 245.907 248.523 244.632 1.00 0.00 C +ATOM 77 CA ARG A 77 245.772 244.717 244.553 1.00 0.00 C +ATOM 78 CA GLN A 78 245.862 241.569 246.697 1.00 0.00 C +ATOM 79 CA ILE A 79 244.535 239.779 249.788 1.00 0.00 C +ATOM 80 CA PRO A 80 241.570 238.869 252.001 1.00 0.00 C +ATOM 81 CA GLY A 81 238.200 237.241 252.713 1.00 0.00 C +TER 82 GLY A 81 +END diff --git a/Mammals/Q4KLI5/Q4KLI5.dcd b/Mammals/Q4KLI5/Q4KLI5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..42f78243c791ae21116555e560fa08c612ec3e8a --- /dev/null +++ b/Mammals/Q4KLI5/Q4KLI5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:20f55d21256ae76e6bf89b5bc0de08f79b55b4c33aa35fb84cb06874624c5887 +size 9200276 diff --git a/Mammals/Q4KLI5/top.pdb b/Mammals/Q4KLI5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..81c8ebcbfc946f87459b197f0ba31d8376770307 --- /dev/null +++ b/Mammals/Q4KLI5/top.pdb @@ -0,0 +1,74 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 257.233 209.166 266.037 1.00 0.00 C +ATOM 2 CA GLU A 2 254.475 211.598 267.036 1.00 0.00 C +ATOM 3 CA TYR A 3 254.742 215.346 267.663 1.00 0.00 C +ATOM 4 CA ARG A 4 255.420 219.055 268.211 1.00 0.00 C +ATOM 5 CA HIS A 5 254.752 222.682 269.170 1.00 0.00 C +ATOM 6 CA SER A 6 253.880 226.313 268.416 1.00 0.00 C +ATOM 7 CA ALA A 7 250.236 227.268 268.984 1.00 0.00 C +ATOM 8 CA LEU A 8 248.379 230.567 268.554 1.00 0.00 C +ATOM 9 CA PRO A 9 245.938 231.371 265.742 1.00 0.00 C +ATOM 10 CA ALA A 10 246.105 233.703 262.733 1.00 0.00 C +ATOM 11 CA ARG A 11 247.434 235.212 259.497 1.00 0.00 C +ATOM 12 CA VAL A 12 251.213 234.868 259.156 1.00 0.00 C +ATOM 13 CA ALA A 13 252.585 238.348 258.434 1.00 0.00 C +ATOM 14 CA VAL A 14 251.964 241.876 259.730 1.00 0.00 C +ATOM 15 CA ASP A 15 255.333 243.175 260.944 1.00 0.00 C +ATOM 16 CA GLU A 16 258.460 245.279 261.508 1.00 0.00 C +ATOM 17 CA ASP A 17 257.530 248.909 262.195 1.00 0.00 C +ATOM 18 CA ASP A 18 258.964 252.026 263.851 1.00 0.00 C +ATOM 19 CA ASP A 19 259.105 255.736 262.995 1.00 0.00 C +ATOM 20 CA ASP A 20 261.650 258.376 264.030 1.00 0.00 C +ATOM 21 CA VAL A 21 263.062 261.082 261.751 1.00 0.00 C +ATOM 22 CA GLY A 22 263.649 264.357 259.895 1.00 0.00 C +ATOM 23 CA GLN A 23 266.980 265.820 258.763 1.00 0.00 C +ATOM 24 CA PRO A 24 266.582 269.438 257.634 1.00 0.00 C +ATOM 25 CA SER A 25 265.174 269.269 254.098 1.00 0.00 C +ATOM 26 CA ASP A 26 266.959 268.591 250.801 1.00 0.00 C +ATOM 27 CA SER A 27 269.218 270.113 248.137 1.00 0.00 C +ATOM 28 CA ASP A 28 272.052 271.067 245.776 1.00 0.00 C +ATOM 29 CA LYS A 29 274.607 271.402 242.969 1.00 0.00 C +ATOM 30 CA ASP A 30 275.459 268.263 240.986 1.00 0.00 C +ATOM 31 CA GLU A 31 275.852 264.671 242.195 1.00 0.00 C +ATOM 32 CA GLU A 32 276.406 261.470 240.204 1.00 0.00 C +ATOM 33 CA ASP A 33 273.808 258.825 241.081 1.00 0.00 C +ATOM 34 CA TYR A 34 271.925 257.182 238.205 1.00 0.00 C +ATOM 35 CA ALA A 35 271.407 258.064 234.534 1.00 0.00 C +ATOM 36 CA PRO A 36 269.093 260.784 233.206 1.00 0.00 C +ATOM 37 CA THR A 37 266.674 261.572 236.042 1.00 0.00 C +ATOM 38 CA ASP A 38 265.606 259.060 238.700 1.00 0.00 C +ATOM 39 CA GLU A 39 262.394 257.869 240.368 1.00 0.00 C +ATOM 40 CA ASP A 40 258.954 259.360 239.691 1.00 0.00 C +ATOM 41 CA SER A 41 256.257 256.968 240.924 1.00 0.00 C +ATOM 42 CA ASP A 42 253.080 257.934 242.791 1.00 0.00 C +ATOM 43 CA TRP A 43 253.575 260.488 245.575 1.00 0.00 C +ATOM 44 CA GLN A 44 250.658 261.106 247.946 1.00 0.00 C +ATOM 45 CA PRO A 45 251.305 260.616 251.669 1.00 0.00 C +ATOM 46 CA GLY A 46 252.278 257.016 252.449 1.00 0.00 C +ATOM 47 CA LYS A 47 249.706 254.334 253.290 1.00 0.00 C +ATOM 48 CA ASP A 48 246.334 255.527 251.979 1.00 0.00 C +ATOM 49 CA ASP A 49 244.797 255.639 248.495 1.00 0.00 C +ATOM 50 CA GLU A 50 241.002 255.893 248.265 1.00 0.00 C +ATOM 51 CA GLU A 51 238.504 253.404 246.824 1.00 0.00 C +ATOM 52 CA LYS A 52 238.258 250.560 244.300 1.00 0.00 C +ATOM 53 CA GLU A 53 234.714 249.166 244.397 1.00 0.00 C +ATOM 54 CA ASP A 54 231.285 250.820 244.249 1.00 0.00 C +ATOM 55 CA VAL A 55 230.924 254.580 243.749 1.00 0.00 C +ATOM 56 CA ASP A 56 227.793 256.368 242.519 1.00 0.00 C +ATOM 57 CA GLU A 57 224.398 256.190 244.239 1.00 0.00 C +ATOM 58 CA LEU A 58 223.346 253.071 246.157 1.00 0.00 C +ATOM 59 CA LEU A 59 222.799 250.254 243.650 1.00 0.00 C +ATOM 60 CA LYS A 60 220.338 248.148 241.644 1.00 0.00 C +ATOM 61 CA GLU A 61 217.588 247.696 239.045 1.00 0.00 C +ATOM 62 CA ALA A 62 218.920 248.969 235.710 1.00 0.00 C +ATOM 63 CA LYS A 63 221.128 249.849 232.732 1.00 0.00 C +ATOM 64 CA ARG A 64 224.707 249.507 233.992 1.00 0.00 C +ATOM 65 CA PHE A 65 225.474 248.649 237.624 1.00 0.00 C +ATOM 66 CA MET A 66 227.418 245.382 237.877 1.00 0.00 C +ATOM 67 CA ARG A 67 229.259 242.340 239.247 1.00 0.00 C +ATOM 68 CA ARG A 68 230.415 239.588 241.614 1.00 0.00 C +ATOM 69 CA LYS A 69 232.152 236.234 242.114 1.00 0.00 C +ATOM 70 CA THR A 70 230.329 234.568 245.015 1.00 0.00 C +TER 71 THR A 70 +END diff --git a/Mammals/Q4KLK2/Q4KLK2.dcd b/Mammals/Q4KLK2/Q4KLK2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..97fbf194db5c42519d0b5971fc79e02061b6c607 --- /dev/null +++ b/Mammals/Q4KLK2/Q4KLK2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b3d9c5e320d49d91c437ad17417ee06e20907e42e9c1fc01058d33e04253a98d +size 9800276 diff --git a/Mammals/Q4KLK2/top.pdb b/Mammals/Q4KLK2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4114f65c8570e8e453b5cc96dc4d4f655c03919a --- /dev/null +++ b/Mammals/Q4KLK2/top.pdb @@ -0,0 +1,79 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 261.796 285.036 202.674 1.00 0.00 C +ATOM 2 CA LYS A 2 265.411 285.803 201.748 1.00 0.00 C +ATOM 3 CA GLU A 3 265.960 288.243 198.874 1.00 0.00 C +ATOM 4 CA ASP A 4 269.510 289.612 198.674 1.00 0.00 C +ATOM 5 CA VAL A 5 271.593 291.148 201.471 1.00 0.00 C +ATOM 6 CA ASP A 6 274.615 289.273 202.837 1.00 0.00 C +ATOM 7 CA PRO A 7 273.315 285.802 203.720 1.00 0.00 C +ATOM 8 CA HIS A 8 272.609 283.287 206.494 1.00 0.00 C +ATOM 9 CA SER A 9 271.288 279.722 206.734 1.00 0.00 C +ATOM 10 CA GLY A 10 267.798 279.480 205.224 1.00 0.00 C +ATOM 11 CA ALA A 11 265.004 276.890 205.179 1.00 0.00 C +ATOM 12 CA ASP A 12 265.472 274.836 208.353 1.00 0.00 C +ATOM 13 CA ASP A 13 262.722 273.576 210.669 1.00 0.00 C +ATOM 14 CA VAL A 14 262.472 269.793 211.046 1.00 0.00 C +ATOM 15 CA PHE A 15 262.844 267.639 214.167 1.00 0.00 C +ATOM 16 CA SER A 16 263.212 266.369 217.740 1.00 0.00 C +ATOM 17 CA SER A 17 265.967 264.938 219.949 1.00 0.00 C +ATOM 18 CA SER A 18 267.608 266.399 223.062 1.00 0.00 C +ATOM 19 CA GLY A 19 267.212 265.805 226.804 1.00 0.00 C +ATOM 20 CA SER A 20 266.267 264.710 230.329 1.00 0.00 C +ATOM 21 CA LEU A 21 267.424 263.323 233.684 1.00 0.00 C +ATOM 22 CA GLY A 22 267.793 261.178 236.811 1.00 0.00 C +ATOM 23 CA LYS A 23 265.129 258.725 237.996 1.00 0.00 C +ATOM 24 CA ALA A 24 264.404 256.965 241.296 1.00 0.00 C +ATOM 25 CA LEU A 25 263.130 255.264 244.458 1.00 0.00 C +ATOM 26 CA GLU A 26 263.580 251.494 244.782 1.00 0.00 C +ATOM 27 CA LYS A 27 266.703 249.795 243.411 1.00 0.00 C +ATOM 28 CA SER A 28 266.927 246.423 245.169 1.00 0.00 C +ATOM 29 CA SER A 29 265.825 243.672 247.564 1.00 0.00 C +ATOM 30 CA LYS A 30 266.552 241.549 250.643 1.00 0.00 C +ATOM 31 CA ASP A 31 269.843 242.566 252.271 1.00 0.00 C +ATOM 32 CA LYS A 32 269.467 245.829 254.202 1.00 0.00 C +ATOM 33 CA GLU A 33 271.124 249.241 254.565 1.00 0.00 C +ATOM 34 CA LYS A 34 271.153 253.032 254.186 1.00 0.00 C +ATOM 35 CA ASN A 35 267.483 254.050 254.295 1.00 0.00 C +ATOM 36 CA SER A 36 263.905 254.265 255.585 1.00 0.00 C +ATOM 37 CA SER A 37 261.979 251.048 256.259 1.00 0.00 C +ATOM 38 CA ASP A 38 260.108 247.927 257.389 1.00 0.00 C +ATOM 39 CA LEU A 39 257.371 245.685 258.803 1.00 0.00 C +ATOM 40 CA GLY A 40 256.012 243.974 261.924 1.00 0.00 C +ATOM 41 CA CYS A 41 254.851 244.851 265.445 1.00 0.00 C +ATOM 42 CA LYS A 42 251.588 246.749 264.925 1.00 0.00 C +ATOM 43 CA GLU A 43 248.390 247.467 262.984 1.00 0.00 C +ATOM 44 CA GLY A 44 244.814 248.654 262.416 1.00 0.00 C +ATOM 45 CA ALA A 45 242.128 245.952 262.424 1.00 0.00 C +ATOM 46 CA ASP A 46 240.016 244.908 265.419 1.00 0.00 C +ATOM 47 CA LYS A 47 238.911 243.530 268.795 1.00 0.00 C +ATOM 48 CA ARG A 48 235.884 245.016 270.569 1.00 0.00 C +ATOM 49 CA LYS A 49 232.468 245.968 269.176 1.00 0.00 C +ATOM 50 CA ARG A 50 230.173 245.929 266.135 1.00 0.00 C +ATOM 51 CA SER A 51 226.517 246.428 265.185 1.00 0.00 C +ATOM 52 CA ARG A 52 223.228 244.628 265.864 1.00 0.00 C +ATOM 53 CA VAL A 53 223.757 240.955 266.725 1.00 0.00 C +ATOM 54 CA THR A 54 224.524 239.536 270.177 1.00 0.00 C +ATOM 55 CA ASP A 55 225.817 235.995 270.729 1.00 0.00 C +ATOM 56 CA LYS A 56 228.067 233.242 269.361 1.00 0.00 C +ATOM 57 CA VAL A 57 225.830 230.876 267.383 1.00 0.00 C +ATOM 58 CA LEU A 58 222.935 229.001 269.003 1.00 0.00 C +ATOM 59 CA THR A 59 222.554 229.936 272.677 1.00 0.00 C +ATOM 60 CA ALA A 60 220.998 231.122 275.946 1.00 0.00 C +ATOM 61 CA ASN A 61 218.533 230.095 278.663 1.00 0.00 C +ATOM 62 CA SER A 62 220.216 230.700 282.027 1.00 0.00 C +ATOM 63 CA ASN A 63 223.758 229.350 281.637 1.00 0.00 C +ATOM 64 CA PRO A 64 225.312 229.382 285.116 1.00 0.00 C +ATOM 65 CA SER A 65 225.870 229.110 288.875 1.00 0.00 C +ATOM 66 CA SER A 66 226.867 225.605 289.985 1.00 0.00 C +ATOM 67 CA PRO A 67 227.557 223.502 286.883 1.00 0.00 C +ATOM 68 CA SER A 68 227.593 219.818 285.910 1.00 0.00 C +ATOM 69 CA ALA A 69 227.959 218.059 282.551 1.00 0.00 C +ATOM 70 CA ALA A 70 228.503 219.997 279.316 1.00 0.00 C +ATOM 71 CA LYS A 71 231.254 222.347 278.119 1.00 0.00 C +ATOM 72 CA ARG A 72 234.519 220.921 276.771 1.00 0.00 C +ATOM 73 CA ARG A 73 237.023 220.888 273.899 1.00 0.00 C +ATOM 74 CA ARG A 74 240.446 221.836 272.520 1.00 0.00 C +ATOM 75 CA THR A 75 242.552 223.280 275.347 1.00 0.00 C +TER 76 THR A 75 +END diff --git a/Mammals/Q4KU44/Q4KU44.dcd b/Mammals/Q4KU44/Q4KU44.dcd new file mode 100644 index 0000000000000000000000000000000000000000..2d92e168475daa29c0beecfa6daa2950597602d8 --- /dev/null +++ b/Mammals/Q4KU44/Q4KU44.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:43b439c8e583c106503827dd347a129eed46a09184b6f8a913b0ed504a1d2429 +size 6320276 diff --git a/Mammals/Q4KU44/top.pdb b/Mammals/Q4KU44/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a3b863fdc5f143929c4ac7c93497f0fef3d78c0d --- /dev/null +++ b/Mammals/Q4KU44/top.pdb @@ -0,0 +1,50 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ALA A 1 240.637 275.157 251.937 1.00 0.00 C +ATOM 2 CA HIS A 2 244.188 274.016 251.164 1.00 0.00 C +ATOM 3 CA VAL A 3 246.795 272.856 248.639 1.00 0.00 C +ATOM 4 CA GLN A 4 249.860 274.531 247.116 1.00 0.00 C +ATOM 5 CA SER A 5 252.802 272.948 245.286 1.00 0.00 C +ATOM 6 CA GLY A 6 253.123 269.228 246.047 1.00 0.00 C +ATOM 7 CA MET A 7 254.997 266.033 246.939 1.00 0.00 C +ATOM 8 CA VAL A 8 257.115 263.459 245.095 1.00 0.00 C +ATOM 9 CA PRO A 9 258.672 259.982 245.034 1.00 0.00 C +ATOM 10 CA SER A 10 260.623 256.902 243.929 1.00 0.00 C +ATOM 11 CA HIS A 11 258.322 254.392 242.219 1.00 0.00 C +ATOM 12 CA PRO A 12 258.954 251.009 243.855 1.00 0.00 C +ATOM 13 CA THR A 13 260.450 247.507 243.955 1.00 0.00 C +ATOM 14 CA ALA A 14 258.306 245.178 241.833 1.00 0.00 C +ATOM 15 CA HIS A 15 255.244 242.942 242.202 1.00 0.00 C +ATOM 16 CA ALA A 16 251.789 244.272 243.099 1.00 0.00 C +ATOM 17 CA PRO A 17 248.829 241.897 242.760 1.00 0.00 C +ATOM 18 CA MET A 18 249.542 238.260 241.878 1.00 0.00 C +ATOM 19 CA MET A 19 248.499 235.909 244.688 1.00 0.00 C +ATOM 20 CA LEU A 20 244.839 235.457 245.646 1.00 0.00 C +ATOM 21 CA MET A 21 242.139 237.593 247.278 1.00 0.00 C +ATOM 22 CA THR A 22 240.831 240.851 248.757 1.00 0.00 C +ATOM 23 CA THR A 23 242.498 244.272 248.939 1.00 0.00 C +ATOM 24 CA GLN A 24 240.913 247.447 247.552 1.00 0.00 C +ATOM 25 CA PRO A 25 238.085 249.740 248.675 1.00 0.00 C +ATOM 26 CA PRO A 26 237.789 251.388 252.097 1.00 0.00 C +ATOM 27 CA GLY A 27 239.361 253.361 254.953 1.00 0.00 C +ATOM 28 CA GLY A 28 239.454 255.080 258.352 1.00 0.00 C +ATOM 29 CA PRO A 29 239.936 256.540 261.838 1.00 0.00 C +ATOM 30 CA GLN A 30 237.739 255.003 264.545 1.00 0.00 C +ATOM 31 CA ALA A 31 237.027 251.274 264.221 1.00 0.00 C +ATOM 32 CA ALA A 32 237.445 248.023 262.278 1.00 0.00 C +ATOM 33 CA LEU A 33 238.811 245.671 259.611 1.00 0.00 C +ATOM 34 CA ALA A 34 240.693 246.311 256.360 1.00 0.00 C +ATOM 35 CA GLN A 35 243.407 243.999 255.017 1.00 0.00 C +ATOM 36 CA SER A 36 247.210 243.863 255.205 1.00 0.00 C +ATOM 37 CA ALA A 37 250.572 242.727 253.819 1.00 0.00 C +ATOM 38 CA LEU A 38 253.425 244.987 252.693 1.00 0.00 C +ATOM 39 CA GLN A 39 255.333 244.428 249.443 1.00 0.00 C +ATOM 40 CA PRO A 40 255.833 240.875 248.161 1.00 0.00 C +ATOM 41 CA ILE A 41 257.315 237.386 248.545 1.00 0.00 C +ATOM 42 CA PRO A 42 261.022 236.597 248.931 1.00 0.00 C +ATOM 43 CA VAL A 43 263.539 238.358 251.186 1.00 0.00 C +ATOM 44 CA SER A 44 266.507 238.586 253.564 1.00 0.00 C +ATOM 45 CA THR A 45 268.381 241.903 253.637 1.00 0.00 C +ATOM 46 CA THR A 46 271.147 241.804 251.019 1.00 0.00 C +TER 47 THR A 46 +END diff --git a/Mammals/Q4KXC1/Q4KXC1.dcd b/Mammals/Q4KXC1/Q4KXC1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..7c3fd28375a78bb06921f8146b9fe53d2ab7bd58 --- /dev/null +++ b/Mammals/Q4KXC1/Q4KXC1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5256f98f414cf8b879e13c3727edb477cb8579d5f152480a7daf422023706a7a +size 6920276 diff --git a/Mammals/Q4KXC1/top.pdb b/Mammals/Q4KXC1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4b17a938c1dc45367ef650edb1c48b58049a836a --- /dev/null +++ b/Mammals/Q4KXC1/top.pdb @@ -0,0 +1,55 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 229.597 271.590 261.829 1.00 0.00 C +ATOM 2 CA SER A 2 230.286 272.052 258.110 1.00 0.00 C +ATOM 3 CA GLU A 3 228.932 269.480 255.647 1.00 0.00 C +ATOM 4 CA GLN A 4 231.445 268.186 253.092 1.00 0.00 C +ATOM 5 CA GLU A 5 230.738 264.714 251.691 1.00 0.00 C +ATOM 6 CA VAL A 6 228.066 262.033 251.255 1.00 0.00 C +ATOM 7 CA ILE A 7 226.435 262.201 247.816 1.00 0.00 C +ATOM 8 CA PHE A 8 226.972 265.042 245.334 1.00 0.00 C +ATOM 9 CA SER A 9 225.650 265.168 241.763 1.00 0.00 C +ATOM 10 CA THR A 10 228.128 263.244 239.602 1.00 0.00 C +ATOM 11 CA GLU A 11 231.507 262.927 241.334 1.00 0.00 C +ATOM 12 CA ARG A 12 233.666 260.674 243.520 1.00 0.00 C +ATOM 13 CA PHE A 13 234.301 256.979 244.197 1.00 0.00 C +ATOM 14 CA HIS A 14 232.905 253.704 245.553 1.00 0.00 C +ATOM 15 CA LYS A 15 230.789 251.832 248.110 1.00 0.00 C +ATOM 16 CA SER A 16 229.344 249.548 250.795 1.00 0.00 C +ATOM 17 CA SER A 17 229.513 245.786 250.216 1.00 0.00 C +ATOM 18 CA GLY A 18 230.763 242.608 248.527 1.00 0.00 C +ATOM 19 CA LEU A 19 232.974 242.287 245.441 1.00 0.00 C +ATOM 20 CA GLN A 20 234.695 243.807 242.400 1.00 0.00 C +ATOM 21 CA ASN A 21 237.700 246.138 242.169 1.00 0.00 C +ATOM 22 CA GLN A 22 241.024 246.551 240.352 1.00 0.00 C +ATOM 23 CA VAL A 23 243.786 247.742 242.691 1.00 0.00 C +ATOM 24 CA ARG A 24 247.336 248.045 241.342 1.00 0.00 C +ATOM 25 CA PRO A 25 248.490 250.059 238.321 1.00 0.00 C +ATOM 26 CA GLU A 26 252.019 250.879 237.145 1.00 0.00 C +ATOM 27 CA GLU A 27 253.969 253.718 235.515 1.00 0.00 C +ATOM 28 CA THR A 28 256.362 256.420 236.735 1.00 0.00 C +ATOM 29 CA GLN A 29 257.463 257.021 240.333 1.00 0.00 C +ATOM 30 CA GLN A 30 255.983 255.414 243.454 1.00 0.00 C +ATOM 31 CA SER A 31 252.248 255.186 242.735 1.00 0.00 C +ATOM 32 CA ARG A 32 250.343 254.026 245.824 1.00 0.00 C +ATOM 33 CA LYS A 33 250.070 250.262 246.342 1.00 0.00 C +ATOM 34 CA ALA A 34 252.549 248.450 248.598 1.00 0.00 C +ATOM 35 CA GLY A 35 255.497 249.773 250.617 1.00 0.00 C +ATOM 36 CA PRO A 36 258.190 247.135 251.170 1.00 0.00 C +ATOM 37 CA ARG A 37 259.061 243.437 251.456 1.00 0.00 C +ATOM 38 CA GLY A 38 259.768 240.205 253.345 1.00 0.00 C +ATOM 39 CA ASN A 39 263.394 239.035 253.405 1.00 0.00 C +ATOM 40 CA SER A 40 267.184 238.672 253.529 1.00 0.00 C +ATOM 41 CA ASN A 41 268.130 235.110 254.498 1.00 0.00 C +ATOM 42 CA LEU A 42 269.906 235.362 257.859 1.00 0.00 C +ATOM 43 CA PRO A 43 271.783 233.991 260.878 1.00 0.00 C +ATOM 44 CA PRO A 44 275.586 233.786 260.804 1.00 0.00 C +ATOM 45 CA GLN A 45 277.329 233.838 264.191 1.00 0.00 C +ATOM 46 CA LEU A 46 279.381 236.969 264.903 1.00 0.00 C +ATOM 47 CA GLN A 47 282.333 238.411 262.973 1.00 0.00 C +ATOM 48 CA ARG A 48 285.299 236.031 263.206 1.00 0.00 C +ATOM 49 CA HIS A 49 288.718 237.585 263.846 1.00 0.00 C +ATOM 50 CA ALA A 50 289.808 239.477 266.968 1.00 0.00 C +ATOM 51 CA LYS A 51 292.583 237.412 268.564 1.00 0.00 C +TER 52 LYS A 51 +END diff --git a/Mammals/Q4L1N4/Q4L1N4.dcd b/Mammals/Q4L1N4/Q4L1N4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..6501cb440974f0cbd567bef383d17e1a8864d00d --- /dev/null +++ b/Mammals/Q4L1N4/Q4L1N4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e85169a4ad36d2c8ffc1ccc04813d1707d1025e1d9f7d536754762405606b3cd +size 5600276 diff --git a/Mammals/Q4L1N4/top.pdb b/Mammals/Q4L1N4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..cd9fd3e2e2418e38847bd76cefc5b0b29377c759 --- /dev/null +++ b/Mammals/Q4L1N4/top.pdb @@ -0,0 +1,44 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ARG A 1 268.547 263.387 237.501 1.00 0.00 C +ATOM 2 CA SER A 2 266.753 261.224 234.929 1.00 0.00 C +ATOM 3 CA VAL A 3 264.025 258.564 234.968 1.00 0.00 C +ATOM 4 CA HIS A 4 260.537 259.166 236.377 1.00 0.00 C +ATOM 5 CA SER A 5 257.984 256.690 237.743 1.00 0.00 C +ATOM 6 CA ARG A 6 255.524 253.842 238.340 1.00 0.00 C +ATOM 7 CA TRP A 7 256.048 250.143 239.085 1.00 0.00 C +ATOM 8 CA GLY A 8 259.356 249.331 240.793 1.00 0.00 C +ATOM 9 CA ASP A 9 262.252 250.702 238.731 1.00 0.00 C +ATOM 10 CA LYS A 10 264.972 252.397 240.791 1.00 0.00 C +ATOM 11 CA THR A 11 263.663 255.558 242.467 1.00 0.00 C +ATOM 12 CA ASP A 12 263.238 257.315 245.821 1.00 0.00 C +ATOM 13 CA GLU A 13 260.353 257.352 248.310 1.00 0.00 C +ATOM 14 CA ASP A 14 257.323 255.087 248.757 1.00 0.00 C +ATOM 15 CA ASP A 15 257.482 251.353 249.500 1.00 0.00 C +ATOM 16 CA TRP A 16 254.242 249.467 248.822 1.00 0.00 C +ATOM 17 CA SER A 17 250.673 248.135 248.882 1.00 0.00 C +ATOM 18 CA LYS A 18 248.231 245.371 249.840 1.00 0.00 C +ATOM 19 CA PRO A 19 248.273 241.852 248.380 1.00 0.00 C +ATOM 20 CA LEU A 20 247.242 238.472 249.804 1.00 0.00 C +ATOM 21 CA PRO A 21 249.033 236.716 252.672 1.00 0.00 C +ATOM 22 CA PRO A 22 250.652 238.285 255.743 1.00 0.00 C +ATOM 23 CA SER A 23 250.785 242.091 255.635 1.00 0.00 C +ATOM 24 CA GLU A 24 250.376 243.355 259.206 1.00 0.00 C +ATOM 25 CA ARG A 25 246.692 243.643 260.135 1.00 0.00 C +ATOM 26 CA LEU A 26 243.451 242.797 261.950 1.00 0.00 C +ATOM 27 CA GLU A 27 241.990 239.538 260.621 1.00 0.00 C +ATOM 28 CA GLN A 28 238.950 240.649 258.611 1.00 0.00 C +ATOM 29 CA GLU A 29 237.725 243.551 256.469 1.00 0.00 C +ATOM 30 CA LEU A 30 237.422 246.180 253.728 1.00 0.00 C +ATOM 31 CA PHE A 31 236.172 249.268 251.878 1.00 0.00 C +ATOM 32 CA SER A 32 238.893 251.897 251.427 1.00 0.00 C +ATOM 33 CA GLY A 33 239.354 255.237 249.653 1.00 0.00 C +ATOM 34 CA GLY A 34 241.005 257.807 251.930 1.00 0.00 C +ATOM 35 CA ASN A 35 238.994 258.316 255.126 1.00 0.00 C +ATOM 36 CA THR A 36 236.968 255.812 257.161 1.00 0.00 C +ATOM 37 CA GLY A 37 237.072 253.940 260.477 1.00 0.00 C +ATOM 38 CA ILE A 38 240.142 251.701 260.756 1.00 0.00 C +ATOM 39 CA ASN A 39 239.525 248.461 262.663 1.00 0.00 C +ATOM 40 CA PHE A 40 238.081 245.348 264.317 1.00 0.00 C +TER 41 PHE A 40 +END diff --git a/Mammals/Q4LEJ9/Q4LEJ9.dcd b/Mammals/Q4LEJ9/Q4LEJ9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d75116fffbbd135f54133a534bd80316800de088 --- /dev/null +++ b/Mammals/Q4LEJ9/Q4LEJ9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:11bab919ff0d7b3457902d6a875f7c11b5fe312d502bf8f4cc461015ee53e62a +size 4640276 diff --git a/Mammals/Q4LEJ9/top.pdb b/Mammals/Q4LEJ9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f8658ee0adf9b3a85bd5e8e044a2202f29fd41b0 --- /dev/null +++ b/Mammals/Q4LEJ9/top.pdb @@ -0,0 +1,36 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 254.102 243.655 235.565 1.00 0.00 C +ATOM 2 CA GLY A 2 251.413 241.013 235.011 1.00 0.00 C +ATOM 3 CA LEU A 3 251.173 238.211 237.581 1.00 0.00 C +ATOM 4 CA LEU A 4 252.448 239.600 240.892 1.00 0.00 C +ATOM 5 CA PRO A 5 251.177 243.176 241.220 1.00 0.00 C +ATOM 6 CA LYS A 6 248.914 245.499 243.220 1.00 0.00 C +ATOM 7 CA LEU A 7 247.549 246.408 246.659 1.00 0.00 C +ATOM 8 CA GLY A 8 244.786 244.557 248.517 1.00 0.00 C +ATOM 9 CA ALA A 9 241.984 243.045 246.424 1.00 0.00 C +ATOM 10 CA SER A 10 238.880 242.255 248.487 1.00 0.00 C +ATOM 11 CA GLN A 11 239.293 240.169 251.649 1.00 0.00 C +ATOM 12 CA GLY A 12 239.226 241.226 255.309 1.00 0.00 C +ATOM 13 CA SER A 13 242.480 242.751 256.576 1.00 0.00 C +ATOM 14 CA ASP A 14 245.458 241.114 254.854 1.00 0.00 C +ATOM 15 CA THR A 15 249.219 241.554 254.432 1.00 0.00 C +ATOM 16 CA SER A 16 250.355 244.701 256.254 1.00 0.00 C +ATOM 17 CA THR A 17 251.059 246.824 259.339 1.00 0.00 C +ATOM 18 CA SER A 18 254.303 248.822 259.360 1.00 0.00 C +ATOM 19 CA ARG A 19 257.660 250.542 258.824 1.00 0.00 C +ATOM 20 CA ALA A 20 259.139 253.992 258.172 1.00 0.00 C +ATOM 21 CA GLY A 21 257.705 255.484 254.972 1.00 0.00 C +ATOM 22 CA ARG A 22 255.282 258.364 254.383 1.00 0.00 C +ATOM 23 CA CYS A 23 254.872 262.146 254.170 1.00 0.00 C +ATOM 24 CA ALA A 24 252.476 264.651 252.587 1.00 0.00 C +ATOM 25 CA ARG A 25 252.375 267.758 250.384 1.00 0.00 C +ATOM 26 CA SER A 26 250.369 268.092 247.163 1.00 0.00 C +ATOM 27 CA VAL A 27 250.389 264.969 244.980 1.00 0.00 C +ATOM 28 CA PHE A 28 251.498 261.734 246.658 1.00 0.00 C +ATOM 29 CA GLY A 29 251.999 258.228 248.065 1.00 0.00 C +ATOM 30 CA ASN A 30 251.375 255.174 250.256 1.00 0.00 C +ATOM 31 CA ILE A 31 251.205 253.911 253.847 1.00 0.00 C +ATOM 32 CA LYS A 32 249.834 250.373 254.189 1.00 0.00 C +TER 33 LYS A 32 +END diff --git a/Mammals/Q4PNS0/Q4PNS0.dcd b/Mammals/Q4PNS0/Q4PNS0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8b66d0ea1bdc94d9cbfa93393e6855f638a2475d --- /dev/null +++ b/Mammals/Q4PNS0/Q4PNS0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9369ea3241beb267691682b151c62c0807c8335f1805a1728785ea7bbaf12564 +size 5360276 diff --git a/Mammals/Q4PNS0/top.pdb b/Mammals/Q4PNS0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..07dca3a6bc279e946e311089d7c0a36972df9766 --- /dev/null +++ b/Mammals/Q4PNS0/top.pdb @@ -0,0 +1,42 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ASN A 1 233.600 231.593 250.281 1.00 0.00 C +ATOM 2 CA GLU A 2 229.899 232.141 251.002 1.00 0.00 C +ATOM 3 CA GLU A 3 226.177 232.806 251.469 1.00 0.00 C +ATOM 4 CA GLY A 4 225.338 236.508 251.145 1.00 0.00 C +ATOM 5 CA ALA A 5 226.709 237.579 247.755 1.00 0.00 C +ATOM 6 CA PRO A 6 225.104 239.823 245.128 1.00 0.00 C +ATOM 7 CA GLN A 7 225.453 243.553 244.435 1.00 0.00 C +ATOM 8 CA GLU A 8 226.987 246.813 245.674 1.00 0.00 C +ATOM 9 CA GLY A 9 230.731 247.372 245.246 1.00 0.00 C +ATOM 10 CA ILE A 10 233.074 246.940 248.220 1.00 0.00 C +ATOM 11 CA LEU A 11 236.870 247.250 248.131 1.00 0.00 C +ATOM 12 CA GLU A 12 237.783 248.553 251.592 1.00 0.00 C +ATOM 13 CA ASP A 13 241.382 249.802 251.565 1.00 0.00 C +ATOM 14 CA MET A 14 245.004 250.974 251.396 1.00 0.00 C +ATOM 15 CA PRO A 15 248.237 249.997 253.159 1.00 0.00 C +ATOM 16 CA VAL A 16 251.301 251.784 254.549 1.00 0.00 C +ATOM 17 CA ASP A 17 254.286 253.664 253.111 1.00 0.00 C +ATOM 18 CA PRO A 18 255.599 257.213 253.556 1.00 0.00 C +ATOM 19 CA ASP A 19 258.037 260.064 254.222 1.00 0.00 C +ATOM 20 CA ASN A 20 261.052 262.150 255.260 1.00 0.00 C +ATOM 21 CA GLU A 21 262.730 263.863 252.299 1.00 0.00 C +ATOM 22 CA ALA A 22 264.207 267.005 250.732 1.00 0.00 C +ATOM 23 CA TYR A 23 267.304 269.186 251.150 1.00 0.00 C +ATOM 24 CA GLU A 24 270.804 267.783 250.608 1.00 0.00 C +ATOM 25 CA MET A 25 271.656 264.140 249.890 1.00 0.00 C +ATOM 26 CA PRO A 26 270.435 260.975 248.155 1.00 0.00 C +ATOM 27 CA SER A 27 267.593 258.457 248.472 1.00 0.00 C +ATOM 28 CA GLU A 28 264.923 255.891 249.368 1.00 0.00 C +ATOM 29 CA GLU A 29 264.661 252.293 248.142 1.00 0.00 C +ATOM 30 CA GLY A 30 263.441 248.888 246.945 1.00 0.00 C +ATOM 31 CA TYR A 31 262.559 247.057 243.723 1.00 0.00 C +ATOM 32 CA GLN A 32 258.952 245.841 243.876 1.00 0.00 C +ATOM 33 CA ASP A 33 256.065 245.697 246.358 1.00 0.00 C +ATOM 34 CA TYR A 34 252.680 244.955 247.940 1.00 0.00 C +ATOM 35 CA GLU A 35 252.532 245.114 251.744 1.00 0.00 C +ATOM 36 CA PRO A 36 255.849 245.119 253.618 1.00 0.00 C +ATOM 37 CA GLU A 37 259.346 244.092 254.728 1.00 0.00 C +ATOM 38 CA ALA A 38 261.643 247.066 255.355 1.00 0.00 C +TER 39 ALA A 38 +END diff --git a/Mammals/Q4PZB5/Q4PZB5.dcd b/Mammals/Q4PZB5/Q4PZB5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8c9f1519b38a8425a14812b33bb6d6c7bd5a30af --- /dev/null +++ b/Mammals/Q4PZB5/Q4PZB5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7d3929c8fc12a2d3a9f33fb6681a72981f3d243226d9f791649db23aff7ba057 +size 54840276 diff --git a/Mammals/Q4PZB5/top.pdb b/Mammals/Q4PZB5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5186bc3b8ff11e86d77d6a3581164e076542c888 --- /dev/null +++ b/Mammals/Q4PZB5/top.pdb @@ -0,0 +1,302 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA PHE A 1 170.685 248.354 156.342 1.00 0.00 C +ATOM 2 CA ASP A 2 173.510 249.205 158.754 1.00 0.00 C +ATOM 3 CA PRO A 3 172.713 249.218 162.479 1.00 0.00 C +ATOM 4 CA SER A 4 173.040 246.107 164.654 1.00 0.00 C +ATOM 5 CA HIS A 5 172.411 246.965 168.312 1.00 0.00 C +ATOM 6 CA GLN A 6 169.612 245.016 170.010 1.00 0.00 C +ATOM 7 CA PHE A 7 166.471 244.614 167.892 1.00 0.00 C +ATOM 8 CA GLN A 8 162.751 244.357 168.673 1.00 0.00 C +ATOM 9 CA PRO A 9 160.831 243.899 165.413 1.00 0.00 C +ATOM 10 CA SER A 10 157.558 242.145 164.564 1.00 0.00 C +ATOM 11 CA SER A 11 158.075 238.450 165.339 1.00 0.00 C +ATOM 12 CA SER A 12 160.422 235.536 166.055 1.00 0.00 C +ATOM 13 CA HIS A 13 162.137 233.563 168.827 1.00 0.00 C +ATOM 14 CA PRO A 14 165.781 234.408 169.550 1.00 0.00 C +ATOM 15 CA ASN A 15 169.258 235.139 168.176 1.00 0.00 C +ATOM 16 CA PRO A 16 172.169 236.274 170.357 1.00 0.00 C +ATOM 17 CA HIS A 17 174.225 239.386 169.581 1.00 0.00 C +ATOM 18 CA PRO A 18 177.220 240.774 171.484 1.00 0.00 C +ATOM 19 CA HIS A 19 179.224 238.098 173.313 1.00 0.00 C +ATOM 20 CA PRO A 20 181.565 235.680 171.527 1.00 0.00 C +ATOM 21 CA HIS A 21 180.893 235.988 167.789 1.00 0.00 C +ATOM 22 CA PRO A 22 184.079 234.924 165.991 1.00 0.00 C +ATOM 23 CA THR A 23 187.595 234.043 167.165 1.00 0.00 C +ATOM 24 CA LEU A 24 189.487 237.119 168.379 1.00 0.00 C +ATOM 25 CA HIS A 25 189.850 238.172 172.023 1.00 0.00 C +ATOM 26 CA ARG A 26 188.571 235.823 174.737 1.00 0.00 C +ATOM 27 CA PRO A 27 187.796 235.998 178.463 1.00 0.00 C +ATOM 28 CA ASN A 28 190.227 235.358 181.326 1.00 0.00 C +ATOM 29 CA GLN A 29 190.447 237.708 184.317 1.00 0.00 C +ATOM 30 CA GLY A 30 193.404 238.788 186.462 1.00 0.00 C +ATOM 31 CA GLY A 31 193.804 242.240 188.023 1.00 0.00 C +ATOM 32 CA VAL A 32 195.942 245.177 186.877 1.00 0.00 C +ATOM 33 CA TYR A 33 197.468 247.298 184.103 1.00 0.00 C +ATOM 34 CA TYR A 34 200.253 246.493 181.630 1.00 0.00 C +ATOM 35 CA ASP A 35 201.388 248.639 178.694 1.00 0.00 C +ATOM 36 CA SER A 36 204.298 251.091 178.509 1.00 0.00 C +ATOM 37 CA PRO A 37 204.587 253.592 181.369 1.00 0.00 C +ATOM 38 CA GLN A 38 206.304 256.001 183.770 1.00 0.00 C +ATOM 39 CA HIS A 39 210.038 256.432 184.392 1.00 0.00 C +ATOM 40 CA GLY A 40 211.608 257.324 181.037 1.00 0.00 C +ATOM 41 CA MET A 41 211.884 260.133 178.478 1.00 0.00 C +ATOM 42 CA LEU A 42 212.490 263.885 178.212 1.00 0.00 C +ATOM 43 CA GLN A 43 210.800 267.033 176.890 1.00 0.00 C +ATOM 44 CA GLN A 44 207.014 267.444 177.011 1.00 0.00 C +ATOM 45 CA PRO A 45 205.973 271.097 176.716 1.00 0.00 C +ATOM 46 CA TYR A 46 202.886 273.038 177.821 1.00 0.00 C +ATOM 47 CA GLN A 47 201.840 271.507 181.150 1.00 0.00 C +ATOM 48 CA GLN A 48 200.942 272.439 184.734 1.00 0.00 C +ATOM 49 CA HIS A 49 204.142 271.910 186.734 1.00 0.00 C +ATOM 50 CA GLY A 50 206.784 269.368 187.768 1.00 0.00 C +ATOM 51 CA GLY A 51 209.231 266.849 186.291 1.00 0.00 C +ATOM 52 CA VAL A 52 211.044 263.679 187.376 1.00 0.00 C +ATOM 53 CA HIS A 53 210.749 261.144 190.206 1.00 0.00 C +ATOM 54 CA GLN A 54 207.443 259.262 190.414 1.00 0.00 C +ATOM 55 CA GLN A 55 205.434 260.243 193.499 1.00 0.00 C +ATOM 56 CA ASN A 56 206.288 260.998 197.135 1.00 0.00 C +ATOM 57 CA GLU A 57 208.591 262.361 199.847 1.00 0.00 C +ATOM 58 CA PHE A 58 210.518 265.119 201.635 1.00 0.00 C +ATOM 59 CA GLN A 59 211.023 268.895 201.572 1.00 0.00 C +ATOM 60 CA HIS A 60 212.979 271.081 204.003 1.00 0.00 C +ATOM 61 CA LEU A 61 215.156 271.506 207.101 1.00 0.00 C +ATOM 62 CA ARG A 62 217.474 271.147 210.104 1.00 0.00 C +ATOM 63 CA GLU A 63 221.184 271.398 210.934 1.00 0.00 C +ATOM 64 CA PHE A 64 223.399 269.054 208.906 1.00 0.00 C +ATOM 65 CA SER A 65 225.115 268.685 205.524 1.00 0.00 C +ATOM 66 CA ASP A 66 223.542 271.117 203.049 1.00 0.00 C +ATOM 67 CA PHE A 67 222.199 274.006 200.960 1.00 0.00 C +ATOM 68 CA HIS A 68 218.842 275.804 201.073 1.00 0.00 C +ATOM 69 CA ASP A 69 219.060 279.322 202.519 1.00 0.00 C +ATOM 70 CA ASN A 70 220.378 281.739 199.886 1.00 0.00 C +ATOM 71 CA ALA A 71 220.525 284.935 197.817 1.00 0.00 C +ATOM 72 CA PHE A 72 220.082 288.469 199.172 1.00 0.00 C +ATOM 73 CA SER A 73 218.882 288.696 202.780 1.00 0.00 C +ATOM 74 CA HIS A 74 218.741 285.827 205.284 1.00 0.00 C +ATOM 75 CA HIS A 75 219.621 287.368 208.656 1.00 0.00 C +ATOM 76 CA SER A 76 219.035 287.594 212.413 1.00 0.00 C +ATOM 77 CA TYR A 77 218.925 285.352 215.492 1.00 0.00 C +ATOM 78 CA GLN A 78 217.154 282.345 217.022 1.00 0.00 C +ATOM 79 CA GLN A 79 213.370 282.766 216.904 1.00 0.00 C +ATOM 80 CA ASP A 80 210.105 281.331 215.564 1.00 0.00 C +ATOM 81 CA ARG A 81 210.343 278.116 213.534 1.00 0.00 C +ATOM 82 CA ALA A 82 213.029 275.609 214.544 1.00 0.00 C +ATOM 83 CA GLY A 83 211.314 272.783 216.437 1.00 0.00 C +ATOM 84 CA VAL A 84 213.273 269.609 217.213 1.00 0.00 C +ATOM 85 CA SER A 85 211.966 267.825 220.316 1.00 0.00 C +ATOM 86 CA THR A 86 212.225 264.081 220.969 1.00 0.00 C +ATOM 87 CA LEU A 87 208.804 262.591 221.743 1.00 0.00 C +ATOM 88 CA PRO A 88 206.952 262.733 218.417 1.00 0.00 C +ATOM 89 CA SER A 89 209.197 263.693 215.492 1.00 0.00 C +ATOM 90 CA ASN A 90 210.741 264.783 212.184 1.00 0.00 C +ATOM 91 CA ILE A 91 213.647 265.114 209.742 1.00 0.00 C +ATOM 92 CA PRO A 92 217.141 264.080 210.857 1.00 0.00 C +ATOM 93 CA HIS A 93 220.832 264.154 211.798 1.00 0.00 C +ATOM 94 CA ALA A 94 223.358 261.555 210.625 1.00 0.00 C +ATOM 95 CA TYR A 95 226.180 261.747 213.178 1.00 0.00 C +ATOM 96 CA GLY A 96 228.705 262.471 215.938 1.00 0.00 C +ATOM 97 CA GLY A 97 231.716 260.233 215.273 1.00 0.00 C +ATOM 98 CA ALA A 98 232.910 259.310 211.775 1.00 0.00 C +ATOM 99 CA HIS A 99 235.133 256.877 209.864 1.00 0.00 C +ATOM 100 CA PRO A 100 237.814 254.217 210.370 1.00 0.00 C +ATOM 101 CA LEU A 101 241.352 255.503 209.778 1.00 0.00 C +ATOM 102 CA ALA A 102 244.842 255.455 211.305 1.00 0.00 C +ATOM 103 CA GLU A 103 245.785 256.388 214.876 1.00 0.00 C +ATOM 104 CA SER A 104 247.770 258.580 217.279 1.00 0.00 C +ATOM 105 CA GLN A 105 250.682 261.031 217.439 1.00 0.00 C +ATOM 106 CA HIS A 106 253.457 263.177 215.954 1.00 0.00 C +ATOM 107 CA SER A 107 256.686 263.078 217.974 1.00 0.00 C +ATOM 108 CA GLY A 108 259.412 261.328 215.967 1.00 0.00 C +ATOM 109 CA GLY A 109 262.703 260.277 214.362 1.00 0.00 C +ATOM 110 CA PRO A 110 261.892 258.879 210.911 1.00 0.00 C +ATOM 111 CA GLN A 111 265.091 257.779 209.159 1.00 0.00 C +ATOM 112 CA SER A 112 267.209 255.758 211.597 1.00 0.00 C +ATOM 113 CA GLY A 113 269.134 256.090 214.868 1.00 0.00 C +ATOM 114 CA PRO A 114 270.980 255.235 218.090 1.00 0.00 C +ATOM 115 CA PRO A 115 269.753 254.626 221.645 1.00 0.00 C +ATOM 116 CA HIS A 116 267.074 251.966 222.155 1.00 0.00 C +ATOM 117 CA GLN A 117 267.164 248.176 222.535 1.00 0.00 C +ATOM 118 CA ASP A 118 267.175 244.567 223.758 1.00 0.00 C +ATOM 119 CA ASP A 119 268.678 242.170 226.308 1.00 0.00 C +ATOM 120 CA PRO A 120 271.969 241.564 228.130 1.00 0.00 C +ATOM 121 CA HIS A 121 275.750 241.903 227.806 1.00 0.00 C +ATOM 122 CA ARG A 122 279.131 243.388 226.868 1.00 0.00 C +ATOM 123 CA PRO A 123 279.436 245.626 223.799 1.00 0.00 C +ATOM 124 CA SER A 124 279.080 249.324 224.645 1.00 0.00 C +ATOM 125 CA GLU A 125 277.325 249.590 228.016 1.00 0.00 C +ATOM 126 CA LEU A 126 273.829 249.982 229.478 1.00 0.00 C +ATOM 127 CA LEU A 127 273.876 252.126 232.627 1.00 0.00 C +ATOM 128 CA SER A 128 274.657 252.883 236.278 1.00 0.00 C +ATOM 129 CA HIS A 129 272.045 254.274 238.678 1.00 0.00 C +ATOM 130 CA PRO A 130 273.136 253.067 242.123 1.00 0.00 C +ATOM 131 CA SER A 131 273.275 255.945 244.616 1.00 0.00 C +ATOM 132 CA SER A 132 276.025 254.963 247.063 1.00 0.00 C +ATOM 133 CA THR A 133 277.169 257.183 249.940 1.00 0.00 C +ATOM 134 CA GLY A 134 276.282 260.763 248.985 1.00 0.00 C +ATOM 135 CA SER A 135 274.834 263.202 246.441 1.00 0.00 C +ATOM 136 CA HIS A 136 271.731 264.717 248.051 1.00 0.00 C +ATOM 137 CA GLN A 137 268.298 265.202 246.472 1.00 0.00 C +ATOM 138 CA GLY A 138 266.373 262.866 244.158 1.00 0.00 C +ATOM 139 CA THR A 139 268.256 260.126 242.298 1.00 0.00 C +ATOM 140 CA THR A 140 266.999 256.869 243.825 1.00 0.00 C +ATOM 141 CA HIS A 141 263.207 256.587 244.062 1.00 0.00 C +ATOM 142 CA ARG A 142 261.671 253.899 241.842 1.00 0.00 C +ATOM 143 CA HIS A 143 263.396 250.557 241.228 1.00 0.00 C +ATOM 144 CA HIS A 144 261.993 247.764 243.406 1.00 0.00 C +ATOM 145 CA GLU A 145 258.500 247.058 244.755 1.00 0.00 C +ATOM 146 CA ARG A 146 258.655 243.982 246.998 1.00 0.00 C +ATOM 147 CA LEU A 147 259.685 241.096 249.261 1.00 0.00 C +ATOM 148 CA HIS A 148 262.135 238.709 250.939 1.00 0.00 C +ATOM 149 CA HIS A 149 264.332 237.319 248.154 1.00 0.00 C +ATOM 150 CA LEU A 150 262.287 234.686 246.310 1.00 0.00 C +ATOM 151 CA ASN A 151 260.843 232.443 249.030 1.00 0.00 C +ATOM 152 CA PRO A 152 260.393 232.634 252.809 1.00 0.00 C +ATOM 153 CA GLN A 153 260.313 231.271 256.366 1.00 0.00 C +ATOM 154 CA GLN A 154 263.241 229.202 257.655 1.00 0.00 C +ATOM 155 CA ASP A 155 266.185 231.438 258.578 1.00 0.00 C +ATOM 156 CA ARG A 156 264.690 234.755 259.709 1.00 0.00 C +ATOM 157 CA ASP A 157 263.020 237.906 258.368 1.00 0.00 C +ATOM 158 CA GLN A 158 259.636 239.555 257.780 1.00 0.00 C +ATOM 159 CA SER A 159 255.965 238.541 257.670 1.00 0.00 C +ATOM 160 CA GLN A 160 252.165 238.373 257.446 1.00 0.00 C +ATOM 161 CA GLN A 161 248.446 239.087 257.865 1.00 0.00 C +ATOM 162 CA ALA A 162 248.165 241.880 260.442 1.00 0.00 C +ATOM 163 CA ASP A 163 249.266 245.526 260.342 1.00 0.00 C +ATOM 164 CA THR A 164 250.558 248.321 262.585 1.00 0.00 C +ATOM 165 CA ILE A 165 253.348 250.609 261.362 1.00 0.00 C +ATOM 166 CA SER A 166 254.196 250.105 257.682 1.00 0.00 C +ATOM 167 CA TYR A 167 255.567 247.549 255.212 1.00 0.00 C +ATOM 168 CA ARG A 168 255.488 244.166 253.460 1.00 0.00 C +ATOM 169 CA SER A 169 253.402 242.893 250.537 1.00 0.00 C +ATOM 170 CA ASN A 170 250.121 242.375 248.671 1.00 0.00 C +ATOM 171 CA THR A 171 248.382 245.661 247.841 1.00 0.00 C +ATOM 172 CA ARG A 172 246.345 248.055 249.993 1.00 0.00 C +ATOM 173 CA PRO A 173 246.247 247.539 253.767 1.00 0.00 C +ATOM 174 CA TYR A 174 243.717 249.858 255.422 1.00 0.00 C +ATOM 175 CA ARG A 175 241.612 252.670 256.897 1.00 0.00 C +ATOM 176 CA SER A 176 242.144 255.849 254.865 1.00 0.00 C +ATOM 177 CA ASN A 177 245.811 256.789 254.429 1.00 0.00 C +ATOM 178 CA ALA A 178 247.124 259.378 256.897 1.00 0.00 C +ATOM 179 CA PRO A 179 248.625 261.338 259.798 1.00 0.00 C +ATOM 180 CA SER A 180 250.001 263.787 262.372 1.00 0.00 C +ATOM 181 CA ARG A 181 249.065 266.200 265.168 1.00 0.00 C +ATOM 182 CA GLN A 182 249.214 268.999 267.749 1.00 0.00 C +ATOM 183 CA GLU A 183 252.843 270.160 267.760 1.00 0.00 C +ATOM 184 CA ARG A 184 255.118 268.131 265.475 1.00 0.00 C +ATOM 185 CA HIS A 185 258.729 268.658 264.379 1.00 0.00 C +ATOM 186 CA ARG A 186 260.530 270.068 267.426 1.00 0.00 C +ATOM 187 CA LEU A 187 261.816 273.550 266.568 1.00 0.00 C +ATOM 188 CA GLN A 188 262.476 274.877 263.058 1.00 0.00 C +ATOM 189 CA ALA A 189 261.810 273.896 259.437 1.00 0.00 C +ATOM 190 CA ASP A 190 263.533 270.658 258.404 1.00 0.00 C +ATOM 191 CA SER A 191 262.760 267.163 257.099 1.00 0.00 C +ATOM 192 CA GLN A 192 265.760 265.552 255.390 1.00 0.00 C +ATOM 193 CA HIS A 193 267.284 262.715 253.353 1.00 0.00 C +ATOM 194 CA GLU A 194 269.679 260.975 255.751 1.00 0.00 C +ATOM 195 CA GLY A 195 273.376 260.067 255.908 1.00 0.00 C +ATOM 196 CA GLN A 196 274.337 260.121 259.594 1.00 0.00 C +ATOM 197 CA ARG A 197 272.534 261.432 262.685 1.00 0.00 C +ATOM 198 CA ALA A 198 272.710 265.217 263.077 1.00 0.00 C +ATOM 199 CA HIS A 199 271.703 268.880 263.374 1.00 0.00 C +ATOM 200 CA SER A 200 269.898 271.699 265.194 1.00 0.00 C +ATOM 201 CA HIS A 201 272.017 273.073 268.047 1.00 0.00 C +ATOM 202 CA ARG A 202 274.493 275.474 266.429 1.00 0.00 C +ATOM 203 CA GLY A 203 274.477 277.273 263.071 1.00 0.00 C +ATOM 204 CA GLU A 204 275.560 278.526 259.639 1.00 0.00 C +ATOM 205 CA ARG A 205 276.146 275.372 257.583 1.00 0.00 C +ATOM 206 CA ASP A 206 273.997 272.549 256.194 1.00 0.00 C +ATOM 207 CA GLU A 207 275.189 272.044 252.611 1.00 0.00 C +ATOM 208 CA HIS A 208 276.752 269.123 250.728 1.00 0.00 C +ATOM 209 CA PRO A 209 278.280 266.328 252.818 1.00 0.00 C +ATOM 210 CA HIS A 210 281.560 264.475 253.386 1.00 0.00 C +ATOM 211 CA HIS A 211 282.320 263.566 257.008 1.00 0.00 C +ATOM 212 CA ARG A 212 284.329 261.985 259.833 1.00 0.00 C +ATOM 213 CA GLU A 213 286.737 263.336 262.458 1.00 0.00 C +ATOM 214 CA GLN A 214 289.775 264.346 264.524 1.00 0.00 C +ATOM 215 CA ARG A 215 291.148 265.546 267.869 1.00 0.00 C +ATOM 216 CA HIS A 216 288.803 264.956 270.814 1.00 0.00 C +ATOM 217 CA TYR A 217 285.067 264.715 271.520 1.00 0.00 C +ATOM 218 CA HIS A 218 282.759 264.444 274.539 1.00 0.00 C +ATOM 219 CA TYR A 219 282.589 263.523 278.233 1.00 0.00 C +ATOM 220 CA HIS A 220 284.613 261.283 280.557 1.00 0.00 C +ATOM 221 CA GLY A 221 284.299 262.315 284.211 1.00 0.00 C +ATOM 222 CA ASP A 222 284.097 259.211 286.411 1.00 0.00 C +ATOM 223 CA HIS A 223 283.118 259.747 290.054 1.00 0.00 C +ATOM 224 CA MET A 224 283.093 257.339 293.007 1.00 0.00 C +ATOM 225 CA GLN A 225 286.397 255.442 293.000 1.00 0.00 C +ATOM 226 CA ARG A 226 288.718 256.309 290.104 1.00 0.00 C +ATOM 227 CA ARG A 227 292.106 254.570 290.192 1.00 0.00 C +ATOM 228 CA GLU A 228 294.716 256.041 292.547 1.00 0.00 C +ATOM 229 CA ARG A 229 295.713 259.332 294.187 1.00 0.00 C +ATOM 230 CA ILE A 230 297.981 260.859 296.840 1.00 0.00 C +ATOM 231 CA HIS A 231 301.495 259.438 296.457 1.00 0.00 C +ATOM 232 CA HIS A 232 302.640 255.804 296.428 1.00 0.00 C +ATOM 233 CA HIS A 233 301.427 253.504 299.212 1.00 0.00 C +ATOM 234 CA ARG A 234 298.702 251.106 298.055 1.00 0.00 C +ATOM 235 CA SER A 235 300.398 248.944 295.416 1.00 0.00 C +ATOM 236 CA PRO A 236 298.715 245.527 295.459 1.00 0.00 C +ATOM 237 CA SER A 237 300.682 242.659 297.016 1.00 0.00 C +ATOM 238 CA ALA A 238 300.682 239.099 298.373 1.00 0.00 C +ATOM 239 CA SER A 239 300.200 238.157 302.033 1.00 0.00 C +ATOM 240 CA GLN A 240 301.800 239.526 305.208 1.00 0.00 C +ATOM 241 CA LEU A 241 305.484 239.020 306.037 1.00 0.00 C +ATOM 242 CA SER A 242 308.071 237.891 308.596 1.00 0.00 C +ATOM 243 CA HIS A 243 308.029 234.194 309.516 1.00 0.00 C +ATOM 244 CA LYS A 244 311.027 233.721 311.819 1.00 0.00 C +ATOM 245 CA SER A 245 310.474 232.906 315.500 1.00 0.00 C +ATOM 246 CA HIS A 246 307.479 232.097 317.711 1.00 0.00 C +ATOM 247 CA SER A 247 304.978 234.451 319.360 1.00 0.00 C +ATOM 248 CA THR A 248 301.477 233.120 320.057 1.00 0.00 C +ATOM 249 CA VAL A 249 298.939 230.341 320.647 1.00 0.00 C +ATOM 250 CA ALA A 250 297.474 228.500 323.644 1.00 0.00 C +ATOM 251 CA THR A 251 298.554 224.855 323.902 1.00 0.00 C +ATOM 252 CA SER A 252 298.921 222.754 327.058 1.00 0.00 C +ATOM 253 CA PRO A 253 299.759 224.913 330.083 1.00 0.00 C +ATOM 254 CA SER A 254 298.568 227.792 332.277 1.00 0.00 C +ATOM 255 CA HIS A 255 297.515 228.350 335.896 1.00 0.00 C +ATOM 256 CA VAL A 256 298.008 228.317 339.673 1.00 0.00 C +ATOM 257 CA GLY A 257 294.746 229.515 341.236 1.00 0.00 C +ATOM 258 CA SER A 258 291.506 227.595 341.815 1.00 0.00 C +ATOM 259 CA LYS A 259 290.095 225.527 344.687 1.00 0.00 C +ATOM 260 CA SER A 260 287.261 226.444 347.063 1.00 0.00 C +ATOM 261 CA THR A 261 284.788 226.840 349.934 1.00 0.00 C +ATOM 262 CA ALA A 262 283.059 230.203 349.469 1.00 0.00 C +ATOM 263 CA SER A 263 279.276 230.517 349.803 1.00 0.00 C +ATOM 264 CA GLY A 264 277.131 231.551 346.829 1.00 0.00 C +ATOM 265 CA ALA A 265 274.731 234.367 345.920 1.00 0.00 C +ATOM 266 CA ARG A 266 271.899 235.398 348.251 1.00 0.00 C +ATOM 267 CA SER A 267 269.244 235.169 350.974 1.00 0.00 C +ATOM 268 CA VAL A 268 270.290 234.048 354.462 1.00 0.00 C +ATOM 269 CA PHE A 269 273.277 236.216 355.406 1.00 0.00 C +ATOM 270 CA GLY A 270 274.327 239.672 356.620 1.00 0.00 C +ATOM 271 CA GLY A 271 276.832 241.848 358.492 1.00 0.00 C +ATOM 272 CA ARG A 272 280.236 240.470 359.507 1.00 0.00 C +ATOM 273 CA SER A 273 280.394 236.814 360.567 1.00 0.00 C +ATOM 274 CA HIS A 274 277.623 234.344 361.425 1.00 0.00 C +ATOM 275 CA VAL A 275 278.327 230.773 360.299 1.00 0.00 C +ATOM 276 CA PHE A 276 281.847 229.462 359.662 1.00 0.00 C +ATOM 277 CA SER A 277 282.563 228.656 356.007 1.00 0.00 C +ATOM 278 CA LYS A 278 282.881 224.906 355.412 1.00 0.00 C +ATOM 279 CA THR A 279 281.702 221.958 353.305 1.00 0.00 C +ATOM 280 CA GLN A 280 279.966 218.598 353.762 1.00 0.00 C +ATOM 281 CA SER A 281 276.961 216.445 352.840 1.00 0.00 C +ATOM 282 CA ARG A 282 277.873 212.993 351.512 1.00 0.00 C +ATOM 283 CA GLU A 283 279.241 210.385 349.095 1.00 0.00 C +ATOM 284 CA SER A 284 282.716 210.157 347.550 1.00 0.00 C +ATOM 285 CA LEU A 285 285.101 207.505 346.209 1.00 0.00 C +ATOM 286 CA ARG A 286 285.160 204.155 344.396 1.00 0.00 C +ATOM 287 CA GLU A 287 285.174 202.369 341.030 1.00 0.00 C +ATOM 288 CA SER A 288 285.214 198.616 340.380 1.00 0.00 C +ATOM 289 CA ALA A 289 283.617 196.400 343.037 1.00 0.00 C +ATOM 290 CA SER A 290 283.530 192.654 342.348 1.00 0.00 C +ATOM 291 CA PHE A 291 281.266 191.755 339.418 1.00 0.00 C +ATOM 292 CA SER A 292 277.562 191.296 338.654 1.00 0.00 C +ATOM 293 CA GLU A 293 274.805 192.264 336.209 1.00 0.00 C +ATOM 294 CA GLY A 294 274.475 195.997 335.520 1.00 0.00 C +ATOM 295 CA GLU A 295 276.306 197.861 332.747 1.00 0.00 C +ATOM 296 CA ASP A 296 279.073 195.741 331.208 1.00 0.00 C +ATOM 297 CA HIS A 297 279.800 192.013 330.911 1.00 0.00 C +ATOM 298 CA VAL A 298 283.590 191.634 330.990 1.00 0.00 C +TER 299 VAL A 298 +END diff --git a/Mammals/Q4QZ14/Q4QZ14.dcd b/Mammals/Q4QZ14/Q4QZ14.dcd new file mode 100644 index 0000000000000000000000000000000000000000..23d50a974377c92aaef43061665b652bee9834ca --- /dev/null +++ b/Mammals/Q4QZ14/Q4QZ14.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3e2d50cae396c431f352c313f463f281b4d287d8e6ced9ef0e8d35a1150f896b +size 10520276 diff --git a/Mammals/Q4QZ14/top.pdb b/Mammals/Q4QZ14/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ee5791c28c0158ccb836495a107646f14239f0a2 --- /dev/null +++ b/Mammals/Q4QZ14/top.pdb @@ -0,0 +1,85 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ARG A 1 253.368 225.502 260.998 1.00 0.00 C +ATOM 2 CA GLU A 2 251.608 226.489 257.767 1.00 0.00 C +ATOM 3 CA SER A 3 251.855 227.621 254.137 1.00 0.00 C +ATOM 4 CA SER A 4 248.775 229.729 253.373 1.00 0.00 C +ATOM 5 CA PRO A 5 245.491 231.507 254.128 1.00 0.00 C +ATOM 6 CA MET A 6 243.447 233.342 251.488 1.00 0.00 C +ATOM 7 CA PRO A 7 241.741 236.125 249.523 1.00 0.00 C +ATOM 8 CA GLU A 8 243.471 238.755 247.378 1.00 0.00 C +ATOM 9 CA GLU A 9 246.176 241.196 248.493 1.00 0.00 C +ATOM 10 CA SER A 10 246.127 241.879 252.241 1.00 0.00 C +ATOM 11 CA TYR A 11 246.401 240.068 255.583 1.00 0.00 C +ATOM 12 CA VAL A 12 244.471 240.855 258.772 1.00 0.00 C +ATOM 13 CA SER A 13 241.760 243.461 258.161 1.00 0.00 C +ATOM 14 CA LEU A 14 239.555 245.954 256.306 1.00 0.00 C +ATOM 15 CA GLN A 15 239.681 249.359 254.601 1.00 0.00 C +ATOM 16 CA THR A 16 240.803 252.516 252.788 1.00 0.00 C +ATOM 17 CA SER A 17 241.852 254.028 249.452 1.00 0.00 C +ATOM 18 CA SER A 18 244.609 252.185 247.576 1.00 0.00 C +ATOM 19 CA ALA A 19 245.567 249.203 245.407 1.00 0.00 C +ATOM 20 CA ASP A 20 244.210 249.928 241.921 1.00 0.00 C +ATOM 21 CA THR A 21 241.454 247.739 240.462 1.00 0.00 C +ATOM 22 CA LEU A 22 240.115 244.888 242.606 1.00 0.00 C +ATOM 23 CA ASP A 23 236.587 243.453 242.723 1.00 0.00 C +ATOM 24 CA THR A 24 233.198 242.478 241.281 1.00 0.00 C +ATOM 25 CA ASP A 25 229.935 244.071 240.130 1.00 0.00 C +ATOM 26 CA THR A 26 228.682 244.845 236.616 1.00 0.00 C +ATOM 27 CA VAL A 27 231.402 247.062 235.132 1.00 0.00 C +ATOM 28 CA SER A 28 231.053 250.856 235.185 1.00 0.00 C +ATOM 29 CA PRO A 29 232.187 252.391 231.887 1.00 0.00 C +ATOM 30 CA LEU A 30 232.613 250.797 228.453 1.00 0.00 C +ATOM 31 CA PRO A 31 233.314 253.034 225.450 1.00 0.00 C +ATOM 32 CA SER A 32 236.638 252.466 223.677 1.00 0.00 C +ATOM 33 CA SER A 33 237.462 251.695 220.038 1.00 0.00 C +ATOM 34 CA MET A 34 240.904 250.064 220.110 1.00 0.00 C +ATOM 35 CA ASP A 35 242.121 247.720 222.857 1.00 0.00 C +ATOM 36 CA LEU A 36 244.028 245.941 225.635 1.00 0.00 C +ATOM 37 CA LEU A 37 244.214 242.137 225.721 1.00 0.00 C +ATOM 38 CA ILE A 38 245.931 241.125 228.968 1.00 0.00 C +ATOM 39 CA GLN A 39 245.575 241.726 232.714 1.00 0.00 C +ATOM 40 CA ASP A 40 243.592 239.302 234.884 1.00 0.00 C +ATOM 41 CA SER A 41 242.613 239.997 238.500 1.00 0.00 C +ATOM 42 CA PRO A 42 243.063 236.634 240.233 1.00 0.00 C +ATOM 43 CA ASP A 43 243.935 234.193 243.025 1.00 0.00 C +ATOM 44 CA SER A 44 247.276 234.475 244.836 1.00 0.00 C +ATOM 45 CA SER A 45 250.443 232.539 243.980 1.00 0.00 C +ATOM 46 CA THR A 46 254.157 232.790 243.167 1.00 0.00 C +ATOM 47 CA SER A 47 256.576 233.213 240.254 1.00 0.00 C +ATOM 48 CA PRO A 48 256.615 236.966 239.595 1.00 0.00 C +ATOM 49 CA ARG A 49 258.445 239.825 241.325 1.00 0.00 C +ATOM 50 CA VAL A 50 261.900 240.470 239.855 1.00 0.00 C +ATOM 51 CA LYS A 51 265.014 242.611 240.344 1.00 0.00 C +ATOM 52 CA PRO A 52 267.747 242.667 242.998 1.00 0.00 C +ATOM 53 CA LEU A 53 270.664 240.234 243.285 1.00 0.00 C +ATOM 54 CA SER A 54 274.435 240.614 243.674 1.00 0.00 C +ATOM 55 CA PRO A 55 274.816 243.013 246.609 1.00 0.00 C +ATOM 56 CA SER A 56 273.283 244.733 249.643 1.00 0.00 C +ATOM 57 CA VAL A 57 275.449 247.411 251.273 1.00 0.00 C +ATOM 58 CA GLU A 58 273.507 250.543 252.238 1.00 0.00 C +ATOM 59 CA GLU A 59 272.551 251.551 255.786 1.00 0.00 C +ATOM 60 CA SER A 60 270.112 250.830 258.623 1.00 0.00 C +ATOM 61 CA THR A 61 270.702 251.354 262.351 1.00 0.00 C +ATOM 62 CA GLU A 62 271.799 254.803 263.543 1.00 0.00 C +ATOM 63 CA LYS A 63 271.701 258.147 265.367 1.00 0.00 C +ATOM 64 CA GLU A 64 270.712 261.610 264.125 1.00 0.00 C +ATOM 65 CA GLU A 65 268.045 264.118 263.070 1.00 0.00 C +ATOM 66 CA THR A 66 265.477 266.790 262.186 1.00 0.00 C +ATOM 67 CA VAL A 67 262.998 267.700 264.933 1.00 0.00 C +ATOM 68 CA PRO A 68 261.752 271.203 264.101 1.00 0.00 C +ATOM 69 CA VAL A 69 259.441 274.224 263.893 1.00 0.00 C +ATOM 70 CA LYS A 70 257.283 277.328 264.368 1.00 0.00 C +ATOM 71 CA LYS A 71 256.732 278.042 268.070 1.00 0.00 C +ATOM 72 CA GLN A 72 255.512 275.508 270.640 1.00 0.00 C +ATOM 73 CA LYS A 73 254.097 275.959 274.148 1.00 0.00 C +ATOM 74 CA ILE A 74 252.757 278.787 276.322 1.00 0.00 C +ATOM 75 CA ARG A 75 249.458 279.606 278.041 1.00 0.00 C +ATOM 76 CA THR A 76 246.090 278.286 276.844 1.00 0.00 C +ATOM 77 CA VAL A 77 244.285 275.694 274.714 1.00 0.00 C +ATOM 78 CA PHE A 78 240.487 275.984 274.816 1.00 0.00 C +ATOM 79 CA SER A 79 238.625 275.352 278.079 1.00 0.00 C +ATOM 80 CA GLN A 80 235.086 274.067 278.662 1.00 0.00 C +ATOM 81 CA THR A 81 232.389 276.639 277.867 1.00 0.00 C +TER 82 THR A 81 +END diff --git a/Mammals/Q4R311/Q4R311.dcd b/Mammals/Q4R311/Q4R311.dcd new file mode 100644 index 0000000000000000000000000000000000000000..221aa9ad7d397604cf38cb406abd7cc9ba6bd60f --- /dev/null +++ b/Mammals/Q4R311/Q4R311.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f34185e5d144c4426860ef46a2f8af7a0b4e610719cab9eaf6413dedd2b99a4c +size 16040276 diff --git a/Mammals/Q4R311/top.pdb b/Mammals/Q4R311/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..215e398bad334a478bcdd98b54e902d92c944737 --- /dev/null +++ b/Mammals/Q4R311/top.pdb @@ -0,0 +1,131 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 192.648 272.171 246.061 1.00 0.00 C +ATOM 2 CA ARG A 2 196.237 270.897 245.942 1.00 0.00 C +ATOM 3 CA ARG A 3 198.835 268.505 247.372 1.00 0.00 C +ATOM 4 CA PRO A 4 199.512 265.303 245.422 1.00 0.00 C +ATOM 5 CA TYR A 5 199.851 261.508 245.495 1.00 0.00 C +ATOM 6 CA GLY A 6 196.743 260.303 247.341 1.00 0.00 C +ATOM 7 CA ARG A 7 193.692 259.235 245.324 1.00 0.00 C +ATOM 8 CA ARG A 8 192.641 255.623 245.928 1.00 0.00 C +ATOM 9 CA PRO A 9 195.171 253.070 244.666 1.00 0.00 C +ATOM 10 CA GLN A 10 196.085 254.280 241.171 1.00 0.00 C +ATOM 11 CA TYR A 11 194.605 253.138 237.851 1.00 0.00 C +ATOM 12 CA SER A 12 196.834 250.824 235.803 1.00 0.00 C +ATOM 13 CA ASN A 13 200.224 251.432 234.174 1.00 0.00 C +ATOM 14 CA PRO A 14 202.546 253.890 235.929 1.00 0.00 C +ATOM 15 CA PRO A 15 205.780 253.943 237.943 1.00 0.00 C +ATOM 16 CA VAL A 16 208.992 252.998 236.124 1.00 0.00 C +ATOM 17 CA GLN A 17 212.310 251.156 236.465 1.00 0.00 C +ATOM 18 CA GLY A 18 215.786 251.917 237.827 1.00 0.00 C +ATOM 19 CA GLU A 19 216.674 254.361 240.612 1.00 0.00 C +ATOM 20 CA VAL A 20 220.083 253.921 242.255 1.00 0.00 C +ATOM 21 CA MET A 21 220.585 251.146 244.817 1.00 0.00 C +ATOM 22 CA GLU A 22 223.927 249.746 245.995 1.00 0.00 C +ATOM 23 CA GLY A 23 226.273 247.186 247.564 1.00 0.00 C +ATOM 24 CA ALA A 24 229.209 245.655 249.448 1.00 0.00 C +ATOM 25 CA ASP A 25 232.757 244.291 249.180 1.00 0.00 C +ATOM 26 CA ASN A 26 234.052 241.038 250.682 1.00 0.00 C +ATOM 27 CA GLN A 27 231.755 240.247 253.617 1.00 0.00 C +ATOM 28 CA GLY A 28 228.348 239.674 255.223 1.00 0.00 C +ATOM 29 CA ALA A 29 226.688 237.458 257.840 1.00 0.00 C +ATOM 30 CA GLY A 30 224.692 237.206 261.075 1.00 0.00 C +ATOM 31 CA GLU A 31 225.508 238.769 264.453 1.00 0.00 C +ATOM 32 CA GLN A 32 224.590 242.397 265.167 1.00 0.00 C +ATOM 33 CA GLY A 33 222.258 244.031 267.698 1.00 0.00 C +ATOM 34 CA ARG A 34 223.706 243.734 271.209 1.00 0.00 C +ATOM 35 CA PRO A 35 227.248 244.812 272.111 1.00 0.00 C +ATOM 36 CA VAL A 36 230.767 244.388 273.508 1.00 0.00 C +ATOM 37 CA ARG A 37 233.331 246.482 275.393 1.00 0.00 C +ATOM 38 CA GLN A 38 236.875 247.569 276.274 1.00 0.00 C +ATOM 39 CA ASN A 39 239.116 244.700 277.397 1.00 0.00 C +ATOM 40 CA MET A 40 242.123 242.400 276.966 1.00 0.00 C +ATOM 41 CA TYR A 41 245.676 243.073 275.767 1.00 0.00 C +ATOM 42 CA ARG A 42 247.530 239.744 275.787 1.00 0.00 C +ATOM 43 CA GLY A 43 251.315 240.121 276.015 1.00 0.00 C +ATOM 44 CA TYR A 44 253.660 237.186 275.379 1.00 0.00 C +ATOM 45 CA ARG A 45 251.676 233.942 275.132 1.00 0.00 C +ATOM 46 CA PRO A 46 251.707 230.139 274.905 1.00 0.00 C +ATOM 47 CA ARG A 47 250.848 226.503 274.160 1.00 0.00 C +ATOM 48 CA PHE A 48 253.574 225.092 271.904 1.00 0.00 C +ATOM 49 CA ARG A 49 254.848 225.755 268.375 1.00 0.00 C +ATOM 50 CA ARG A 50 254.938 224.758 264.699 1.00 0.00 C +ATOM 51 CA GLY A 51 255.452 222.886 261.421 1.00 0.00 C +ATOM 52 CA PRO A 52 257.363 224.763 258.711 1.00 0.00 C +ATOM 53 CA PRO A 53 255.931 228.066 257.464 1.00 0.00 C +ATOM 54 CA ARG A 54 253.498 227.727 254.552 1.00 0.00 C +ATOM 55 CA GLN A 55 255.153 229.515 251.623 1.00 0.00 C +ATOM 56 CA ARG A 56 257.232 232.333 250.122 1.00 0.00 C +ATOM 57 CA GLN A 57 260.221 234.294 248.802 1.00 0.00 C +ATOM 58 CA PRO A 58 262.524 237.249 248.110 1.00 0.00 C +ATOM 59 CA ARG A 59 262.425 240.784 246.692 1.00 0.00 C +ATOM 60 CA GLU A 60 264.888 243.690 246.675 1.00 0.00 C +ATOM 61 CA ASP A 61 267.891 245.758 245.570 1.00 0.00 C +ATOM 62 CA GLY A 62 271.118 243.933 246.447 1.00 0.00 C +ATOM 63 CA ASN A 63 272.383 241.695 249.258 1.00 0.00 C +ATOM 64 CA GLU A 64 273.580 238.790 251.415 1.00 0.00 C +ATOM 65 CA GLU A 65 277.339 238.175 251.316 1.00 0.00 C +ATOM 66 CA ASP A 66 281.116 238.594 251.050 1.00 0.00 C +ATOM 67 CA LYS A 67 282.369 239.953 247.719 1.00 0.00 C +ATOM 68 CA GLU A 68 279.587 241.558 245.669 1.00 0.00 C +ATOM 69 CA ASN A 69 277.589 244.582 246.843 1.00 0.00 C +ATOM 70 CA GLN A 70 278.100 247.703 244.719 1.00 0.00 C +ATOM 71 CA GLY A 71 276.291 249.771 242.078 1.00 0.00 C +ATOM 72 CA ASP A 72 277.032 248.607 238.527 1.00 0.00 C +ATOM 73 CA GLU A 73 274.866 250.798 236.286 1.00 0.00 C +ATOM 74 CA THR A 74 276.092 254.381 235.870 1.00 0.00 C +ATOM 75 CA GLN A 75 274.492 255.855 232.742 1.00 0.00 C +ATOM 76 CA GLY A 76 271.322 257.936 232.370 1.00 0.00 C +ATOM 77 CA GLN A 77 267.688 257.549 231.295 1.00 0.00 C +ATOM 78 CA GLN A 78 264.021 256.552 231.573 1.00 0.00 C +ATOM 79 CA PRO A 79 260.248 256.037 231.703 1.00 0.00 C +ATOM 80 CA PRO A 80 257.123 253.998 232.472 1.00 0.00 C +ATOM 81 CA GLN A 81 253.706 255.653 232.155 1.00 0.00 C +ATOM 82 CA ARG A 82 250.104 255.330 233.353 1.00 0.00 C +ATOM 83 CA ARG A 83 248.321 255.541 236.713 1.00 0.00 C +ATOM 84 CA TYR A 84 245.963 255.581 239.706 1.00 0.00 C +ATOM 85 CA ARG A 85 247.336 253.110 242.260 1.00 0.00 C +ATOM 86 CA ARG A 86 250.968 252.190 242.948 1.00 0.00 C +ATOM 87 CA ASN A 87 253.646 254.275 241.217 1.00 0.00 C +ATOM 88 CA PHE A 88 255.560 257.518 240.638 1.00 0.00 C +ATOM 89 CA ASN A 89 257.452 258.100 243.894 1.00 0.00 C +ATOM 90 CA TYR A 90 259.877 260.159 245.991 1.00 0.00 C +ATOM 91 CA ARG A 91 261.015 262.063 249.088 1.00 0.00 C +ATOM 92 CA ARG A 92 264.585 262.952 250.078 1.00 0.00 C +ATOM 93 CA ARG A 93 268.374 263.246 249.808 1.00 0.00 C +ATOM 94 CA ARG A 94 271.013 265.702 248.573 1.00 0.00 C +ATOM 95 CA PRO A 95 272.171 268.858 250.367 1.00 0.00 C +ATOM 96 CA GLU A 96 274.877 271.329 251.409 1.00 0.00 C +ATOM 97 CA ASN A 97 274.252 272.018 255.104 1.00 0.00 C +ATOM 98 CA PRO A 98 276.545 274.040 257.377 1.00 0.00 C +ATOM 99 CA LYS A 99 280.206 274.569 258.293 1.00 0.00 C +ATOM 100 CA PRO A 100 284.012 274.728 258.273 1.00 0.00 C +ATOM 101 CA GLN A 101 285.443 272.363 260.896 1.00 0.00 C +ATOM 102 CA ASP A 102 286.221 269.252 262.953 1.00 0.00 C +ATOM 103 CA GLY A 103 288.230 266.202 261.868 1.00 0.00 C +ATOM 104 CA LYS A 104 288.026 262.914 263.782 1.00 0.00 C +ATOM 105 CA GLU A 105 288.192 259.390 262.343 1.00 0.00 C +ATOM 106 CA THR A 106 288.189 256.719 259.626 1.00 0.00 C +ATOM 107 CA LYS A 107 288.960 254.532 256.604 1.00 0.00 C +ATOM 108 CA ALA A 108 285.655 253.030 255.447 1.00 0.00 C +ATOM 109 CA ALA A 109 284.191 255.385 252.835 1.00 0.00 C +ATOM 110 CA ASP A 110 282.725 258.357 250.954 1.00 0.00 C +ATOM 111 CA PRO A 111 280.643 259.590 248.012 1.00 0.00 C +ATOM 112 CA PRO A 112 277.353 260.340 246.243 1.00 0.00 C +ATOM 113 CA ALA A 113 275.410 261.049 243.043 1.00 0.00 C +ATOM 114 CA GLU A 114 271.631 261.539 243.025 1.00 0.00 C +ATOM 115 CA ASN A 115 268.050 260.698 244.018 1.00 0.00 C +ATOM 116 CA SER A 116 267.852 257.333 245.794 1.00 0.00 C +ATOM 117 CA SER A 117 265.735 254.387 246.959 1.00 0.00 C +ATOM 118 CA ALA A 118 263.124 251.971 245.594 1.00 0.00 C +ATOM 119 CA PRO A 119 259.608 252.346 244.177 1.00 0.00 C +ATOM 120 CA GLU A 120 259.493 251.095 240.580 1.00 0.00 C +ATOM 121 CA ALA A 121 257.594 248.853 238.154 1.00 0.00 C +ATOM 122 CA GLU A 122 254.143 247.326 237.624 1.00 0.00 C +ATOM 123 CA GLN A 123 254.405 245.025 234.599 1.00 0.00 C +ATOM 124 CA GLY A 124 253.674 241.519 233.300 1.00 0.00 C +ATOM 125 CA GLY A 125 251.258 239.258 231.411 1.00 0.00 C +ATOM 126 CA ALA A 126 248.395 236.972 232.456 1.00 0.00 C +ATOM 127 CA GLU A 127 246.055 234.345 233.919 1.00 0.00 C +TER 128 GLU A 127 +END diff --git a/Mammals/Q4R3V9/Q4R3V9.dcd b/Mammals/Q4R3V9/Q4R3V9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d4963b0bcfd6c1c296e552ff71785d59a81a2719 --- /dev/null +++ b/Mammals/Q4R3V9/Q4R3V9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e0262d496ffe0516178f716683258829e2c6bed26ba14da4b9d4769a91f62825 +size 92080276 diff --git a/Mammals/Q4R3V9/top.pdb b/Mammals/Q4R3V9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e8b332a4ddbc4bd661a4c81d2f3b2c4ec8c106b4 --- /dev/null +++ b/Mammals/Q4R3V9/top.pdb @@ -0,0 +1,381 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 950.000 950.000 950.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 440.731 545.828 453.561 1.00 0.00 C +ATOM 2 CA GLU A 2 439.068 546.974 456.792 1.00 0.00 C +ATOM 3 CA GLU A 3 439.413 546.114 460.487 1.00 0.00 C +ATOM 4 CA PRO A 4 441.519 544.831 463.392 1.00 0.00 C +ATOM 5 CA PRO A 5 443.651 547.784 464.508 1.00 0.00 C +ATOM 6 CA GLN A 6 442.964 551.047 466.351 1.00 0.00 C +ATOM 7 CA GLU A 7 440.063 551.891 468.673 1.00 0.00 C +ATOM 8 CA ALA A 8 439.622 549.322 471.452 1.00 0.00 C +ATOM 9 CA LEU A 9 441.336 546.083 472.497 1.00 0.00 C +ATOM 10 CA ALA A 10 443.935 545.128 475.114 1.00 0.00 C +ATOM 11 CA GLU A 11 445.940 543.873 478.101 1.00 0.00 C +ATOM 12 CA PRO A 12 447.397 546.297 480.654 1.00 0.00 C +ATOM 13 CA LEU A 13 444.805 548.881 481.713 1.00 0.00 C +ATOM 14 CA GLU A 14 442.350 551.779 481.409 1.00 0.00 C +ATOM 15 CA HIS A 15 442.979 555.251 482.848 1.00 0.00 C +ATOM 16 CA GLU A 16 445.245 557.377 485.052 1.00 0.00 C +ATOM 17 CA SER A 17 448.306 559.579 484.504 1.00 0.00 C +ATOM 18 CA PRO A 18 451.109 561.399 486.333 1.00 0.00 C +ATOM 19 CA ALA A 19 454.514 562.897 487.157 1.00 0.00 C +ATOM 20 CA ALA A 20 457.034 565.611 486.263 1.00 0.00 C +ATOM 21 CA PRO A 21 460.547 565.696 484.791 1.00 0.00 C +ATOM 22 CA SER A 22 460.807 568.804 482.603 1.00 0.00 C +ATOM 23 CA SER A 23 461.584 568.305 478.907 1.00 0.00 C +ATOM 24 CA ALA A 24 463.136 570.912 476.602 1.00 0.00 C +ATOM 25 CA GLY A 25 465.857 573.302 475.420 1.00 0.00 C +ATOM 26 CA HIS A 26 468.955 575.073 474.085 1.00 0.00 C +ATOM 27 CA THR A 27 467.832 578.668 473.510 1.00 0.00 C +ATOM 28 CA ASN A 28 467.150 582.237 472.364 1.00 0.00 C +ATOM 29 CA GLY A 29 468.639 585.690 472.974 1.00 0.00 C +ATOM 30 CA GLN A 30 471.773 587.853 473.105 1.00 0.00 C +ATOM 31 CA GLU A 31 474.244 586.532 475.687 1.00 0.00 C +ATOM 32 CA ASP A 32 474.398 586.479 479.493 1.00 0.00 C +ATOM 33 CA ASP A 33 475.488 582.930 480.347 1.00 0.00 C +ATOM 34 CA ASP A 34 478.884 581.473 481.276 1.00 0.00 C +ATOM 35 CA GLN A 35 479.280 577.688 481.095 1.00 0.00 C +ATOM 36 CA LYS A 36 476.060 575.986 479.977 1.00 0.00 C +ATOM 37 CA ASN A 37 475.441 573.712 476.983 1.00 0.00 C +ATOM 38 CA GLN A 38 477.901 573.226 474.114 1.00 0.00 C +ATOM 39 CA ALA A 39 477.641 571.091 470.969 1.00 0.00 C +ATOM 40 CA GLU A 40 476.244 569.730 467.696 1.00 0.00 C +ATOM 41 CA ARG A 41 475.748 566.045 466.867 1.00 0.00 C +ATOM 42 CA LYS A 42 478.181 563.562 468.427 1.00 0.00 C +ATOM 43 CA ALA A 43 481.752 564.705 467.751 1.00 0.00 C +ATOM 44 CA ASP A 44 485.517 565.138 467.357 1.00 0.00 C +ATOM 45 CA ASN A 45 488.310 564.435 469.850 1.00 0.00 C +ATOM 46 CA HIS A 46 491.846 563.787 471.113 1.00 0.00 C +ATOM 47 CA THR A 47 494.412 562.761 473.736 1.00 0.00 C +ATOM 48 CA ALA A 48 495.560 559.379 475.065 1.00 0.00 C +ATOM 49 CA HIS A 49 494.537 557.845 478.399 1.00 0.00 C +ATOM 50 CA ARG A 50 492.016 555.233 479.556 1.00 0.00 C +ATOM 51 CA ILE A 51 491.514 551.496 479.010 1.00 0.00 C +ATOM 52 CA ALA A 52 492.045 548.076 480.602 1.00 0.00 C +ATOM 53 CA ASP A 53 489.361 545.507 481.445 1.00 0.00 C +ATOM 54 CA GLN A 54 486.435 543.074 481.251 1.00 0.00 C +ATOM 55 CA THR A 55 485.637 540.208 483.630 1.00 0.00 C +ATOM 56 CA ALA A 56 488.442 537.636 483.821 1.00 0.00 C +ATOM 57 CA LEU A 57 487.209 534.757 481.651 1.00 0.00 C +ATOM 58 CA ARG A 58 487.620 530.999 482.123 1.00 0.00 C +ATOM 59 CA VAL A 59 485.256 528.615 480.322 1.00 0.00 C +ATOM 60 CA PRO A 60 481.993 529.936 478.865 1.00 0.00 C +ATOM 61 CA SER A 61 478.439 530.540 480.097 1.00 0.00 C +ATOM 62 CA GLN A 62 475.835 528.794 482.263 1.00 0.00 C +ATOM 63 CA ALA A 63 473.067 526.463 481.072 1.00 0.00 C +ATOM 64 CA LYS A 64 470.159 524.787 482.876 1.00 0.00 C +ATOM 65 CA PHE A 65 470.890 522.413 485.765 1.00 0.00 C +ATOM 66 CA ASN A 66 470.847 518.618 486.097 1.00 0.00 C +ATOM 67 CA ILE A 67 469.803 517.226 482.707 1.00 0.00 C +ATOM 68 CA PHE A 68 470.768 516.262 479.150 1.00 0.00 C +ATOM 69 CA SER A 69 471.658 512.662 478.278 1.00 0.00 C +ATOM 70 CA GLN A 70 468.593 511.130 476.613 1.00 0.00 C +ATOM 71 CA THR A 71 468.768 508.741 473.650 1.00 0.00 C +ATOM 72 CA THR A 72 469.677 507.082 470.343 1.00 0.00 C +ATOM 73 CA ASN A 73 469.492 506.834 466.546 1.00 0.00 C +ATOM 74 CA GLY A 74 469.400 507.351 462.772 1.00 0.00 C +ATOM 75 CA VAL A 75 470.672 505.111 459.964 1.00 0.00 C +ATOM 76 CA ALA A 76 468.135 502.634 458.570 1.00 0.00 C +ATOM 77 CA GLU A 77 466.105 502.231 455.371 1.00 0.00 C +ATOM 78 CA GLN A 78 462.578 503.384 456.237 1.00 0.00 C +ATOM 79 CA ASN A 79 460.272 502.709 459.194 1.00 0.00 C +ATOM 80 CA GLY A 80 457.638 501.299 461.558 1.00 0.00 C +ATOM 81 CA ARG A 81 456.667 497.618 461.416 1.00 0.00 C +ATOM 82 CA SER A 82 457.843 494.086 462.231 1.00 0.00 C +ATOM 83 CA THR A 83 460.263 491.958 460.200 1.00 0.00 C +ATOM 84 CA PRO A 84 460.751 488.644 458.383 1.00 0.00 C +ATOM 85 CA GLY A 85 460.023 488.799 454.647 1.00 0.00 C +ATOM 86 CA GLN A 86 457.389 487.695 452.125 1.00 0.00 C +ATOM 87 CA ALA A 87 454.613 485.089 452.263 1.00 0.00 C +ATOM 88 CA GLY A 88 453.874 482.843 449.276 1.00 0.00 C +ATOM 89 CA HIS A 89 452.230 484.274 446.151 1.00 0.00 C +ATOM 90 CA ARG A 90 452.422 481.753 443.301 1.00 0.00 C +ATOM 91 CA ALA A 91 453.958 478.540 444.657 1.00 0.00 C +ATOM 92 CA SER A 92 451.699 476.072 446.479 1.00 0.00 C +ATOM 93 CA ASP A 93 450.042 472.642 446.573 1.00 0.00 C +ATOM 94 CA PRO A 94 446.638 471.184 447.467 1.00 0.00 C +ATOM 95 CA ALA A 95 443.021 471.587 448.594 1.00 0.00 C +ATOM 96 CA ASN A 96 442.038 475.116 447.550 1.00 0.00 C +ATOM 97 CA VAL A 97 438.664 476.406 448.762 1.00 0.00 C +ATOM 98 CA SER A 98 437.630 479.091 451.260 1.00 0.00 C +ATOM 99 CA ASP A 99 439.858 482.074 452.068 1.00 0.00 C +ATOM 100 CA LEU A 100 440.289 482.120 455.853 1.00 0.00 C +ATOM 101 CA ARG A 101 442.653 483.330 458.585 1.00 0.00 C +ATOM 102 CA ALA A 102 444.690 482.456 461.683 1.00 0.00 C +ATOM 103 CA ASP A 103 448.347 483.361 461.113 1.00 0.00 C +ATOM 104 CA ASP A 104 451.893 482.513 462.219 1.00 0.00 C +ATOM 105 CA GLN A 105 451.968 479.084 463.878 1.00 0.00 C +ATOM 106 CA VAL A 106 451.249 476.576 466.655 1.00 0.00 C +ATOM 107 CA ASP A 107 450.771 473.101 465.167 1.00 0.00 C +ATOM 108 CA GLN A 108 450.171 470.438 462.509 1.00 0.00 C +ATOM 109 CA THR A 109 449.008 467.118 461.045 1.00 0.00 C +ATOM 110 CA PRO A 110 451.220 464.356 462.456 1.00 0.00 C +ATOM 111 CA SER A 111 453.539 462.112 464.483 1.00 0.00 C +ATOM 112 CA GLU A 112 454.353 463.192 468.044 1.00 0.00 C +ATOM 113 CA GLN A 113 454.039 465.821 470.785 1.00 0.00 C +ATOM 114 CA THR A 114 452.626 468.572 473.010 1.00 0.00 C +ATOM 115 CA GLU A 115 451.823 467.975 476.686 1.00 0.00 C +ATOM 116 CA GLY A 116 452.154 467.322 480.425 1.00 0.00 C +ATOM 117 CA LYS A 117 454.485 465.982 483.124 1.00 0.00 C +ATOM 118 CA ALA A 118 458.169 465.433 482.320 1.00 0.00 C +ATOM 119 CA SER A 119 459.266 462.044 480.968 1.00 0.00 C +ATOM 120 CA SER A 120 458.800 458.877 483.035 1.00 0.00 C +ATOM 121 CA GLN A 121 460.595 455.927 481.425 1.00 0.00 C +ATOM 122 CA ALA A 122 463.925 454.675 480.059 1.00 0.00 C +ATOM 123 CA ASN A 123 467.502 453.837 481.065 1.00 0.00 C +ATOM 124 CA ASN A 124 467.507 452.470 484.622 1.00 0.00 C +ATOM 125 CA VAL A 125 465.913 450.365 487.369 1.00 0.00 C +ATOM 126 CA GLN A 126 462.111 450.343 487.616 1.00 0.00 C +ATOM 127 CA TYR A 127 460.828 447.488 489.789 1.00 0.00 C +ATOM 128 CA GLU A 128 461.357 445.708 493.116 1.00 0.00 C +ATOM 129 CA GLN A 129 459.094 442.759 493.951 1.00 0.00 C +ATOM 130 CA SER A 130 459.203 440.334 491.015 1.00 0.00 C +ATOM 131 CA ASP A 131 459.316 436.526 491.008 1.00 0.00 C +ATOM 132 CA GLY A 132 461.505 434.750 493.572 1.00 0.00 C +ATOM 133 CA GLN A 133 461.122 434.624 497.361 1.00 0.00 C +ATOM 134 CA VAL A 134 460.002 431.641 499.449 1.00 0.00 C +ATOM 135 CA SER A 135 461.436 428.232 498.533 1.00 0.00 C +ATOM 136 CA GLY A 136 461.194 426.425 495.187 1.00 0.00 C +ATOM 137 CA LEU A 137 459.716 425.574 491.780 1.00 0.00 C +ATOM 138 CA THR A 138 460.890 428.049 489.132 1.00 0.00 C +ATOM 139 CA GLU A 139 463.088 427.060 486.182 1.00 0.00 C +ATOM 140 CA GLU A 140 466.312 429.057 486.549 1.00 0.00 C +ATOM 141 CA ARG A 141 467.888 428.183 489.906 1.00 0.00 C +ATOM 142 CA THR A 142 470.993 430.339 490.374 1.00 0.00 C +ATOM 143 CA ALA A 143 474.351 428.680 491.073 1.00 0.00 C +ATOM 144 CA GLU A 144 474.516 426.296 494.041 1.00 0.00 C +ATOM 145 CA GLN A 145 475.659 422.962 495.487 1.00 0.00 C +ATOM 146 CA ILE A 146 476.212 419.193 495.433 1.00 0.00 C +ATOM 147 CA GLU A 147 474.356 415.949 494.691 1.00 0.00 C +ATOM 148 CA ARG A 148 472.360 412.710 494.487 1.00 0.00 C +ATOM 149 CA ARG A 149 474.767 409.923 493.508 1.00 0.00 C +ATOM 150 CA LEU A 150 476.740 407.467 491.365 1.00 0.00 C +ATOM 151 CA SER A 151 479.909 407.734 489.267 1.00 0.00 C +ATOM 152 CA SER A 152 482.284 406.450 486.580 1.00 0.00 C +ATOM 153 CA GLN A 153 485.109 407.692 484.345 1.00 0.00 C +ATOM 154 CA ALA A 154 486.735 407.529 480.903 1.00 0.00 C +ATOM 155 CA GLU A 155 487.067 407.526 477.108 1.00 0.00 C +ATOM 156 CA ARG A 156 487.591 409.144 473.699 1.00 0.00 C +ATOM 157 CA VAL A 157 490.778 411.130 473.056 1.00 0.00 C +ATOM 158 CA THR A 158 493.773 409.483 471.373 1.00 0.00 C +ATOM 159 CA ALA A 159 496.950 411.523 471.885 1.00 0.00 C +ATOM 160 CA GLY A 160 497.755 412.580 475.455 1.00 0.00 C +ATOM 161 CA GLN A 161 497.128 412.070 479.178 1.00 0.00 C +ATOM 162 CA ILE A 162 495.919 408.803 480.720 1.00 0.00 C +ATOM 163 CA ASP A 163 493.362 408.692 483.543 1.00 0.00 C +ATOM 164 CA GLY A 164 490.600 411.293 483.886 1.00 0.00 C +ATOM 165 CA ARG A 165 488.049 414.123 483.838 1.00 0.00 C +ATOM 166 CA LEU A 166 484.842 415.981 482.956 1.00 0.00 C +ATOM 167 CA SER A 167 484.018 419.642 483.617 1.00 0.00 C +ATOM 168 CA MET A 168 482.867 419.796 487.245 1.00 0.00 C +ATOM 169 CA PRO A 169 485.414 418.898 489.933 1.00 0.00 C +ATOM 170 CA SER A 170 489.154 418.237 490.238 1.00 0.00 C +ATOM 171 CA ASP A 171 491.300 421.366 490.587 1.00 0.00 C +ATOM 172 CA GLN A 172 491.511 422.271 494.282 1.00 0.00 C +ATOM 173 CA ARG A 173 488.197 422.562 496.140 1.00 0.00 C +ATOM 174 CA GLY A 174 485.182 421.143 497.987 1.00 0.00 C +ATOM 175 CA SER A 175 483.136 417.967 497.490 1.00 0.00 C +ATOM 176 CA ARG A 176 481.944 415.771 500.366 1.00 0.00 C +ATOM 177 CA GLN A 177 479.487 413.360 498.734 1.00 0.00 C +ATOM 178 CA THR A 178 476.015 413.612 500.283 1.00 0.00 C +ATOM 179 CA ASP A 179 475.147 412.496 503.820 1.00 0.00 C +ATOM 180 CA HIS A 180 472.956 412.743 506.928 1.00 0.00 C +ATOM 181 CA ARG A 181 470.753 409.665 507.354 1.00 0.00 C +ATOM 182 CA MET A 182 467.480 409.332 505.431 1.00 0.00 C +ATOM 183 CA SER A 183 463.778 410.150 505.058 1.00 0.00 C +ATOM 184 CA GLY A 184 461.467 407.439 503.706 1.00 0.00 C +ATOM 185 CA GLN A 185 458.120 406.814 505.416 1.00 0.00 C +ATOM 186 CA ALA A 186 455.928 407.257 508.500 1.00 0.00 C +ATOM 187 CA GLU A 187 454.278 409.901 510.693 1.00 0.00 C +ATOM 188 CA ARG A 188 455.878 412.885 512.439 1.00 0.00 C +ATOM 189 CA ARG A 189 459.007 414.941 511.731 1.00 0.00 C +ATOM 190 CA THR A 190 460.906 416.084 508.632 1.00 0.00 C +ATOM 191 CA SER A 191 464.645 416.331 509.321 1.00 0.00 C +ATOM 192 CA GLU A 192 466.775 416.568 506.171 1.00 0.00 C +ATOM 193 CA HIS A 193 467.618 416.238 502.470 1.00 0.00 C +ATOM 194 CA ILE A 194 465.383 416.136 499.386 1.00 0.00 C +ATOM 195 CA GLY A 195 466.382 413.605 496.719 1.00 0.00 C +ATOM 196 CA ASP A 196 465.115 414.406 493.216 1.00 0.00 C +ATOM 197 CA ARG A 197 462.601 414.741 490.373 1.00 0.00 C +ATOM 198 CA LEU A 198 460.165 411.955 489.469 1.00 0.00 C +ATOM 199 CA SER A 199 457.525 412.202 486.733 1.00 0.00 C +ATOM 200 CA THR A 200 454.398 414.377 486.628 1.00 0.00 C +ATOM 201 CA GLN A 201 451.410 412.843 484.829 1.00 0.00 C +ATOM 202 CA SER A 202 448.115 413.946 486.393 1.00 0.00 C +ATOM 203 CA ASN A 203 447.407 414.290 490.121 1.00 0.00 C +ATOM 204 CA ARG A 204 448.034 417.211 492.486 1.00 0.00 C +ATOM 205 CA ARG A 205 451.515 418.755 492.374 1.00 0.00 C +ATOM 206 CA ALA A 206 451.873 422.200 493.961 1.00 0.00 C +ATOM 207 CA SER A 207 449.998 425.169 492.483 1.00 0.00 C +ATOM 208 CA GLU A 208 451.228 427.888 490.114 1.00 0.00 C +ATOM 209 CA GLN A 209 453.364 427.997 486.961 1.00 0.00 C +ATOM 210 CA THR A 210 455.083 429.100 483.744 1.00 0.00 C +ATOM 211 CA ASP A 211 454.147 428.938 480.054 1.00 0.00 C +ATOM 212 CA ARG A 212 453.857 430.852 476.773 1.00 0.00 C +ATOM 213 CA LYS A 213 454.689 429.046 473.523 1.00 0.00 C +ATOM 214 CA MET A 214 455.168 426.506 470.724 1.00 0.00 C +ATOM 215 CA ALA A 215 457.367 425.264 467.871 1.00 0.00 C +ATOM 216 CA GLY A 216 460.123 426.565 465.584 1.00 0.00 C +ATOM 217 CA GLN A 217 458.806 429.618 463.724 1.00 0.00 C +ATOM 218 CA SER A 218 457.681 432.446 461.432 1.00 0.00 C +ATOM 219 CA GLN A 219 457.928 435.959 462.885 1.00 0.00 C +ATOM 220 CA ARG A 220 457.815 439.749 462.518 1.00 0.00 C +ATOM 221 CA ARG A 221 459.813 441.674 465.129 1.00 0.00 C +ATOM 222 CA ALA A 222 462.224 444.104 463.456 1.00 0.00 C +ATOM 223 CA SER A 223 464.848 446.752 462.669 1.00 0.00 C +ATOM 224 CA GLU A 224 463.823 449.259 459.990 1.00 0.00 C +ATOM 225 CA GLN A 225 463.258 450.627 456.479 1.00 0.00 C +ATOM 226 CA MET A 226 465.154 452.701 453.906 1.00 0.00 C +ATOM 227 CA ASP A 227 466.144 455.895 452.080 1.00 0.00 C +ATOM 228 CA ARG A 228 468.278 459.050 451.998 1.00 0.00 C +ATOM 229 CA ARG A 229 469.320 462.448 450.625 1.00 0.00 C +ATOM 230 CA LEU A 230 472.118 464.398 448.927 1.00 0.00 C +ATOM 231 CA SER A 231 474.888 466.594 450.349 1.00 0.00 C +ATOM 232 CA ASP A 232 477.359 467.035 453.215 1.00 0.00 C +ATOM 233 CA THR A 233 480.667 468.707 452.335 1.00 0.00 C +ATOM 234 CA ALA A 234 483.042 470.937 454.311 1.00 0.00 C +ATOM 235 CA GLU A 235 485.292 473.329 456.242 1.00 0.00 C +ATOM 236 CA GLY A 236 488.065 474.877 458.346 1.00 0.00 C +ATOM 237 CA ILE A 237 490.148 477.810 457.089 1.00 0.00 C +ATOM 238 CA THR A 238 490.850 480.127 454.148 1.00 0.00 C +ATOM 239 CA SER A 239 490.060 479.255 450.524 1.00 0.00 C +ATOM 240 CA GLU A 240 491.324 479.431 446.934 1.00 0.00 C +ATOM 241 CA GLN A 241 490.170 481.218 443.773 1.00 0.00 C +ATOM 242 CA ILE A 242 492.914 482.584 441.510 1.00 0.00 C +ATOM 243 CA THR A 243 496.185 481.139 442.826 1.00 0.00 C +ATOM 244 CA TYR A 244 496.210 477.496 443.941 1.00 0.00 C +ATOM 245 CA THR A 245 498.581 475.239 445.890 1.00 0.00 C +ATOM 246 CA LEU A 246 502.288 474.644 445.241 1.00 0.00 C +ATOM 247 CA SER A 247 503.041 470.954 444.659 1.00 0.00 C +ATOM 248 CA ARG A 248 504.692 467.700 443.562 1.00 0.00 C +ATOM 249 CA LEU A 249 506.446 464.901 441.663 1.00 0.00 C +ATOM 250 CA SER A 250 509.248 465.925 439.294 1.00 0.00 C +ATOM 251 CA GLU A 251 511.649 468.776 440.081 1.00 0.00 C +ATOM 252 CA LYS A 252 513.037 470.877 442.941 1.00 0.00 C +ATOM 253 CA ARG A 253 516.078 472.808 441.700 1.00 0.00 C +ATOM 254 CA PRO A 254 519.340 474.773 441.582 1.00 0.00 C +ATOM 255 CA SER A 255 522.163 476.764 443.189 1.00 0.00 C +ATOM 256 CA VAL A 256 525.490 476.475 441.355 1.00 0.00 C +ATOM 257 CA GLN A 257 526.065 476.269 437.594 1.00 0.00 C +ATOM 258 CA ILE A 258 527.841 473.001 436.768 1.00 0.00 C +ATOM 259 CA ASP A 259 531.142 471.415 437.818 1.00 0.00 C +ATOM 260 CA SER A 260 532.605 467.958 438.471 1.00 0.00 C +ATOM 261 CA GLY A 261 531.336 466.612 441.802 1.00 0.00 C +ATOM 262 CA SER A 262 528.707 464.658 443.747 1.00 0.00 C +ATOM 263 CA SER A 263 528.219 460.972 444.578 1.00 0.00 C +ATOM 264 CA VAL A 264 529.318 458.471 441.922 1.00 0.00 C +ATOM 265 CA PRO A 265 528.377 458.237 438.237 1.00 0.00 C +ATOM 266 CA SER A 266 527.424 455.921 435.365 1.00 0.00 C +ATOM 267 CA ASP A 267 529.557 452.794 435.793 1.00 0.00 C +ATOM 268 CA GLN A 268 529.630 451.360 439.322 1.00 0.00 C +ATOM 269 CA SER A 269 527.364 448.297 439.347 1.00 0.00 C +ATOM 270 CA PRO A 270 524.433 446.586 441.078 1.00 0.00 C +ATOM 271 CA SER A 271 521.667 446.883 443.682 1.00 0.00 C +ATOM 272 CA VAL A 272 519.076 444.864 445.612 1.00 0.00 C +ATOM 273 CA GLN A 273 516.185 446.987 446.898 1.00 0.00 C +ATOM 274 CA ILE A 274 515.625 447.233 450.658 1.00 0.00 C +ATOM 275 CA ASP A 275 516.827 444.985 453.490 1.00 0.00 C +ATOM 276 CA SER A 276 518.004 446.627 456.720 1.00 0.00 C +ATOM 277 CA GLY A 277 517.468 450.184 457.975 1.00 0.00 C +ATOM 278 CA SER A 278 516.472 453.840 458.371 1.00 0.00 C +ATOM 279 CA SER A 279 517.740 455.236 461.682 1.00 0.00 C +ATOM 280 CA VAL A 280 521.432 456.165 461.846 1.00 0.00 C +ATOM 281 CA PRO A 281 522.767 456.297 458.280 1.00 0.00 C +ATOM 282 CA SER A 282 520.733 457.450 455.272 1.00 0.00 C +ATOM 283 CA ASP A 283 518.321 459.157 452.867 1.00 0.00 C +ATOM 284 CA ARG A 284 518.147 462.962 452.820 1.00 0.00 C +ATOM 285 CA SER A 285 518.265 466.771 452.806 1.00 0.00 C +ATOM 286 CA PRO A 286 517.250 470.403 452.268 1.00 0.00 C +ATOM 287 CA SER A 287 515.062 471.906 455.001 1.00 0.00 C +ATOM 288 CA VAL A 288 513.636 470.777 458.349 1.00 0.00 C +ATOM 289 CA GLN A 289 513.510 468.620 461.487 1.00 0.00 C +ATOM 290 CA ILE A 290 515.394 466.201 463.748 1.00 0.00 C +ATOM 291 CA ASP A 291 517.782 463.232 463.776 1.00 0.00 C +ATOM 292 CA SER A 292 521.108 462.310 465.390 1.00 0.00 C +ATOM 293 CA GLY A 293 522.747 463.382 468.658 1.00 0.00 C +ATOM 294 CA SER A 294 524.801 466.361 469.850 1.00 0.00 C +ATOM 295 CA SER A 295 522.741 469.308 471.112 1.00 0.00 C +ATOM 296 CA VAL A 296 519.345 469.805 469.459 1.00 0.00 C +ATOM 297 CA PRO A 297 517.293 472.459 467.653 1.00 0.00 C +ATOM 298 CA SER A 298 517.484 475.488 469.957 1.00 0.00 C +ATOM 299 CA ASP A 299 520.180 478.065 469.177 1.00 0.00 C +ATOM 300 CA ARG A 300 523.149 480.429 468.840 1.00 0.00 C +ATOM 301 CA SER A 301 524.943 480.384 472.201 1.00 0.00 C +ATOM 302 CA PRO A 302 523.175 481.298 475.450 1.00 0.00 C +ATOM 303 CA SER A 303 519.844 480.997 477.275 1.00 0.00 C +ATOM 304 CA VAL A 304 516.497 479.527 478.349 1.00 0.00 C +ATOM 305 CA GLN A 305 514.172 482.338 479.448 1.00 0.00 C +ATOM 306 CA ILE A 306 510.618 483.525 480.137 1.00 0.00 C +ATOM 307 CA ASP A 307 509.657 487.006 481.352 1.00 0.00 C +ATOM 308 CA SER A 308 507.038 486.721 484.103 1.00 0.00 C +ATOM 309 CA GLY A 309 507.368 488.380 487.517 1.00 0.00 C +ATOM 310 CA SER A 310 507.687 488.888 491.280 1.00 0.00 C +ATOM 311 CA SER A 311 505.715 486.202 493.127 1.00 0.00 C +ATOM 312 CA VAL A 312 502.015 485.954 494.003 1.00 0.00 C +ATOM 313 CA PRO A 313 499.172 483.549 493.197 1.00 0.00 C +ATOM 314 CA SER A 314 496.531 481.371 491.524 1.00 0.00 C +ATOM 315 CA ASP A 315 494.468 479.125 489.240 1.00 0.00 C +ATOM 316 CA ARG A 316 492.329 476.847 487.060 1.00 0.00 C +ATOM 317 CA SER A 317 492.873 474.201 484.374 1.00 0.00 C +ATOM 318 CA LEU A 318 489.811 472.009 483.797 1.00 0.00 C +ATOM 319 CA SER A 319 490.050 469.204 481.229 1.00 0.00 C +ATOM 320 CA VAL A 320 492.766 466.862 479.943 1.00 0.00 C +ATOM 321 CA GLN A 321 492.572 463.297 481.273 1.00 0.00 C +ATOM 322 CA ILE A 322 489.763 463.194 483.844 1.00 0.00 C +ATOM 323 CA ASP A 323 486.552 462.698 485.834 1.00 0.00 C +ATOM 324 CA SER A 324 482.938 462.458 484.651 1.00 0.00 C +ATOM 325 CA GLY A 325 480.215 464.365 482.790 1.00 0.00 C +ATOM 326 CA SER A 326 477.105 465.664 484.567 1.00 0.00 C +ATOM 327 CA SER A 327 474.165 463.421 485.482 1.00 0.00 C +ATOM 328 CA VAL A 328 471.401 464.313 487.949 1.00 0.00 C +ATOM 329 CA PRO A 329 470.381 465.985 491.217 1.00 0.00 C +ATOM 330 CA SER A 330 466.626 466.432 491.680 1.00 0.00 C +ATOM 331 CA ASP A 331 464.078 464.948 494.093 1.00 0.00 C +ATOM 332 CA ARG A 332 461.446 466.405 496.430 1.00 0.00 C +ATOM 333 CA SER A 333 462.454 469.048 498.983 1.00 0.00 C +ATOM 334 CA PRO A 334 460.916 472.507 499.420 1.00 0.00 C +ATOM 335 CA SER A 335 459.109 474.880 497.050 1.00 0.00 C +ATOM 336 CA VAL A 336 460.061 477.165 494.154 1.00 0.00 C +ATOM 337 CA GLN A 337 458.899 480.695 493.313 1.00 0.00 C +ATOM 338 CA ILE A 338 461.682 482.707 491.663 1.00 0.00 C +ATOM 339 CA ASP A 339 464.950 481.339 493.066 1.00 0.00 C +ATOM 340 CA SER A 340 464.955 479.947 496.613 1.00 0.00 C +ATOM 341 CA GLY A 341 465.212 478.281 500.029 1.00 0.00 C +ATOM 342 CA SER A 342 464.695 477.643 503.750 1.00 0.00 C +ATOM 343 CA SER A 343 463.612 478.231 507.355 1.00 0.00 C +ATOM 344 CA ILE A 344 459.883 479.007 507.465 1.00 0.00 C +ATOM 345 CA PRO A 345 457.418 479.568 504.615 1.00 0.00 C +ATOM 346 CA SER A 346 453.712 480.002 505.385 1.00 0.00 C +ATOM 347 CA ASP A 347 450.470 479.882 507.383 1.00 0.00 C +ATOM 348 CA GLN A 348 448.186 476.900 506.744 1.00 0.00 C +ATOM 349 CA ARG A 349 444.492 477.194 505.860 1.00 0.00 C +ATOM 350 CA PRO A 350 443.969 480.920 505.261 1.00 0.00 C +ATOM 351 CA SER A 351 441.648 482.684 502.807 1.00 0.00 C +ATOM 352 CA VAL A 352 439.529 480.304 500.718 1.00 0.00 C +ATOM 353 CA GLN A 353 438.628 477.471 498.336 1.00 0.00 C +ATOM 354 CA ILE A 354 438.258 477.720 494.552 1.00 0.00 C +ATOM 355 CA ASP A 355 438.953 477.776 490.806 1.00 0.00 C +ATOM 356 CA ARG A 356 439.697 474.357 489.300 1.00 0.00 C +ATOM 357 CA ARG A 357 442.959 474.055 487.354 1.00 0.00 C +ATOM 358 CA MET A 358 444.329 471.160 485.291 1.00 0.00 C +ATOM 359 CA SER A 359 446.205 471.421 481.985 1.00 0.00 C +ATOM 360 CA GLY A 360 444.922 473.218 478.880 1.00 0.00 C +ATOM 361 CA LYS A 361 441.768 475.342 479.121 1.00 0.00 C +ATOM 362 CA VAL A 362 440.040 478.121 481.071 1.00 0.00 C +ATOM 363 CA ARG A 363 439.508 481.484 482.782 1.00 0.00 C +ATOM 364 CA THR A 364 440.292 484.862 481.203 1.00 0.00 C +ATOM 365 CA SER A 365 443.090 487.122 479.946 1.00 0.00 C +ATOM 366 CA VAL A 366 445.823 489.690 480.617 1.00 0.00 C +ATOM 367 CA LYS A 367 446.413 493.122 479.071 1.00 0.00 C +ATOM 368 CA THR A 368 448.851 495.060 476.877 1.00 0.00 C +ATOM 369 CA ASP A 369 447.910 496.381 473.430 1.00 0.00 C +ATOM 370 CA TYR A 370 448.988 496.342 469.776 1.00 0.00 C +ATOM 371 CA ARG A 371 452.001 494.069 469.256 1.00 0.00 C +ATOM 372 CA LEU A 372 453.432 491.710 471.884 1.00 0.00 C +ATOM 373 CA ALA A 373 455.364 491.144 475.119 1.00 0.00 C +ATOM 374 CA SER A 374 457.736 488.782 476.938 1.00 0.00 C +ATOM 375 CA LEU A 375 457.278 489.039 480.711 1.00 0.00 C +ATOM 376 CA VAL A 376 453.970 489.226 482.593 1.00 0.00 C +ATOM 377 CA ASP A 377 452.709 491.048 485.693 1.00 0.00 C +TER 378 ASP A 377 +END diff --git a/Mammals/Q4R558/Q4R558.dcd b/Mammals/Q4R558/Q4R558.dcd new file mode 100644 index 0000000000000000000000000000000000000000..666346b1933836df0baaf077fe23e7ea9a9d3eec --- /dev/null +++ b/Mammals/Q4R558/Q4R558.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f8f756ab4fcfd2cf0577e4d72dcfccdb1d9fda133ffe93abee261a676fc72676 +size 8840276 diff --git a/Mammals/Q4R558/top.pdb b/Mammals/Q4R558/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9c0f00c075fd0bc4087d9430ef047a1672e70500 --- /dev/null +++ b/Mammals/Q4R558/top.pdb @@ -0,0 +1,71 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 257.958 263.735 219.169 1.00 0.00 C +ATOM 2 CA ALA A 2 256.752 261.829 222.240 1.00 0.00 C +ATOM 3 CA LYS A 3 255.585 263.995 225.149 1.00 0.00 C +ATOM 4 CA ARG A 4 256.441 263.542 228.833 1.00 0.00 C +ATOM 5 CA ASN A 5 254.936 260.177 229.796 1.00 0.00 C +ATOM 6 CA GLN A 6 254.949 256.368 229.895 1.00 0.00 C +ATOM 7 CA LYS A 7 252.869 255.135 226.951 1.00 0.00 C +ATOM 8 CA PRO A 8 249.848 252.924 226.243 1.00 0.00 C +ATOM 9 CA GLU A 9 250.614 249.246 226.875 1.00 0.00 C +ATOM 10 CA VAL A 10 252.672 246.453 228.450 1.00 0.00 C +ATOM 11 CA ARG A 11 255.016 244.692 230.883 1.00 0.00 C +ATOM 12 CA LYS A 12 255.961 243.687 234.434 1.00 0.00 C +ATOM 13 CA ALA A 13 259.573 242.858 235.318 1.00 0.00 C +ATOM 14 CA GLN A 14 262.683 245.015 235.756 1.00 0.00 C +ATOM 15 CA ARG A 15 263.913 244.935 239.362 1.00 0.00 C +ATOM 16 CA GLU A 16 264.994 244.920 243.015 1.00 0.00 C +ATOM 17 CA GLN A 17 268.368 245.922 244.473 1.00 0.00 C +ATOM 18 CA ALA A 18 271.651 244.943 246.142 1.00 0.00 C +ATOM 19 CA ILE A 19 273.155 245.122 249.638 1.00 0.00 C +ATOM 20 CA ARG A 20 270.970 245.088 252.759 1.00 0.00 C +ATOM 21 CA ALA A 21 269.406 243.762 255.970 1.00 0.00 C +ATOM 22 CA ALA A 22 270.600 241.420 258.727 1.00 0.00 C +ATOM 23 CA LYS A 23 271.608 240.711 262.333 1.00 0.00 C +ATOM 24 CA GLU A 24 270.713 238.104 264.963 1.00 0.00 C +ATOM 25 CA ALA A 25 267.883 235.727 264.038 1.00 0.00 C +ATOM 26 CA LYS A 26 264.297 235.679 262.751 1.00 0.00 C +ATOM 27 CA LYS A 27 262.194 237.446 265.391 1.00 0.00 C +ATOM 28 CA ALA A 28 260.625 237.707 268.853 1.00 0.00 C +ATOM 29 CA LYS A 29 262.979 238.639 271.701 1.00 0.00 C +ATOM 30 CA GLN A 30 264.794 241.972 271.370 1.00 0.00 C +ATOM 31 CA ALA A 31 265.796 243.200 267.905 1.00 0.00 C +ATOM 32 CA SER A 32 262.759 244.124 265.798 1.00 0.00 C +ATOM 33 CA LYS A 33 259.262 244.547 267.248 1.00 0.00 C +ATOM 34 CA LYS A 34 257.977 248.089 267.815 1.00 0.00 C +ATOM 35 CA THR A 35 255.157 250.364 266.634 1.00 0.00 C +ATOM 36 CA ALA A 36 254.843 253.600 264.648 1.00 0.00 C +ATOM 37 CA MET A 37 256.901 256.183 266.546 1.00 0.00 C +ATOM 38 CA ALA A 38 260.104 257.758 265.212 1.00 0.00 C +ATOM 39 CA ALA A 39 260.277 259.885 262.056 1.00 0.00 C +ATOM 40 CA ALA A 40 257.022 260.498 260.172 1.00 0.00 C +ATOM 41 CA LYS A 41 254.177 261.561 257.872 1.00 0.00 C +ATOM 42 CA ALA A 42 250.855 261.368 256.015 1.00 0.00 C +ATOM 43 CA PRO A 43 249.802 263.610 253.121 1.00 0.00 C +ATOM 44 CA THR A 44 251.284 265.954 250.508 1.00 0.00 C +ATOM 45 CA LYS A 45 249.596 265.159 247.186 1.00 0.00 C +ATOM 46 CA ALA A 46 248.075 264.532 243.750 1.00 0.00 C +ATOM 47 CA ALA A 47 249.363 261.308 242.181 1.00 0.00 C +ATOM 48 CA PRO A 48 248.600 258.382 239.862 1.00 0.00 C +ATOM 49 CA LYS A 49 246.072 256.014 241.448 1.00 0.00 C +ATOM 50 CA GLN A 50 243.132 253.871 240.319 1.00 0.00 C +ATOM 51 CA LYS A 51 240.137 255.728 238.870 1.00 0.00 C +ATOM 52 CA ILE A 52 238.663 258.652 240.818 1.00 0.00 C +ATOM 53 CA VAL A 53 237.247 257.940 244.283 1.00 0.00 C +ATOM 54 CA LYS A 54 236.881 254.315 245.395 1.00 0.00 C +ATOM 55 CA PRO A 55 234.887 251.521 247.048 1.00 0.00 C +ATOM 56 CA VAL A 56 231.921 249.457 248.256 1.00 0.00 C +ATOM 57 CA LYS A 57 229.467 247.696 250.579 1.00 0.00 C +ATOM 58 CA VAL A 58 227.114 244.839 249.674 1.00 0.00 C +ATOM 59 CA SER A 59 225.425 243.024 252.566 1.00 0.00 C +ATOM 60 CA ALA A 60 222.648 242.216 255.046 1.00 0.00 C +ATOM 61 CA PRO A 61 221.785 241.132 258.595 1.00 0.00 C +ATOM 62 CA ARG A 62 219.204 240.195 261.237 1.00 0.00 C +ATOM 63 CA VAL A 63 215.547 240.865 262.067 1.00 0.00 C +ATOM 64 CA GLY A 64 212.151 241.882 263.465 1.00 0.00 C +ATOM 65 CA GLY A 65 209.926 244.965 263.218 1.00 0.00 C +ATOM 66 CA LYS A 66 207.231 247.323 261.917 1.00 0.00 C +ATOM 67 CA ARG A 67 204.702 246.492 259.192 1.00 0.00 C +TER 68 ARG A 67 +END diff --git a/Mammals/Q4R636/Q4R636.dcd b/Mammals/Q4R636/Q4R636.dcd new file mode 100644 index 0000000000000000000000000000000000000000..2c15caa4e514f34742503656c46f0a23feb6f3a2 --- /dev/null +++ b/Mammals/Q4R636/Q4R636.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a6fbb33e39495dfbf47faef245ae760531b24eaea01e702a70b00156ef5c24a0 +size 13160276 diff --git a/Mammals/Q4R636/top.pdb b/Mammals/Q4R636/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f91a330c30066aa997738d24658878c69cedb98d --- /dev/null +++ b/Mammals/Q4R636/top.pdb @@ -0,0 +1,107 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 239.986 233.967 237.793 1.00 0.00 C +ATOM 2 CA LEU A 2 238.808 231.014 235.694 1.00 0.00 C +ATOM 3 CA ARG A 3 239.834 227.898 233.756 1.00 0.00 C +ATOM 4 CA ASP A 4 237.617 226.392 231.048 1.00 0.00 C +ATOM 5 CA SER A 5 238.597 225.160 227.578 1.00 0.00 C +ATOM 6 CA GLY A 6 237.883 227.402 224.582 1.00 0.00 C +ATOM 7 CA SER A 7 238.793 230.960 225.595 1.00 0.00 C +ATOM 8 CA ALA A 8 240.344 233.884 227.482 1.00 0.00 C +ATOM 9 CA GLU A 9 239.594 237.139 229.314 1.00 0.00 C +ATOM 10 CA VAL A 10 241.290 238.667 232.365 1.00 0.00 C +ATOM 11 CA GLY A 11 241.876 241.964 234.181 1.00 0.00 C +ATOM 12 CA ARG A 12 244.371 244.606 235.327 1.00 0.00 C +ATOM 13 CA ALA A 13 243.631 247.878 237.133 1.00 0.00 C +ATOM 14 CA PRO A 14 243.279 251.601 237.862 1.00 0.00 C +ATOM 15 CA ALA A 15 243.498 252.970 241.411 1.00 0.00 C +ATOM 16 CA GLY A 16 246.810 253.815 243.093 1.00 0.00 C +ATOM 17 CA PRO A 17 249.999 255.053 241.416 1.00 0.00 C +ATOM 18 CA ARG A 18 252.177 258.128 241.981 1.00 0.00 C +ATOM 19 CA GLY A 19 255.418 258.758 243.882 1.00 0.00 C +ATOM 20 CA ALA A 20 258.907 258.715 242.351 1.00 0.00 C +ATOM 21 CA ILE A 21 258.926 259.863 238.718 1.00 0.00 C +ATOM 22 CA LEU A 22 257.356 262.399 236.346 1.00 0.00 C +ATOM 23 CA ALA A 23 257.638 263.255 232.644 1.00 0.00 C +ATOM 24 CA GLY A 24 257.639 263.697 228.860 1.00 0.00 C +ATOM 25 CA GLY A 25 256.426 264.273 225.295 1.00 0.00 C +ATOM 26 CA ASP A 26 252.906 264.787 223.930 1.00 0.00 C +ATOM 27 CA VAL A 27 251.137 261.489 224.642 1.00 0.00 C +ATOM 28 CA GLY A 28 248.557 261.928 227.410 1.00 0.00 C +ATOM 29 CA GLN A 29 247.798 265.377 228.840 1.00 0.00 C +ATOM 30 CA ARG A 30 245.957 268.321 230.409 1.00 0.00 C +ATOM 31 CA ALA A 31 243.838 268.335 233.576 1.00 0.00 C +ATOM 32 CA GLY A 32 243.285 266.111 236.619 1.00 0.00 C +ATOM 33 CA HIS A 33 240.722 263.343 237.153 1.00 0.00 C +ATOM 34 CA ALA A 34 240.502 259.593 237.789 1.00 0.00 C +ATOM 35 CA ARG A 35 238.107 256.965 239.158 1.00 0.00 C +ATOM 36 CA PRO A 36 234.531 255.784 238.581 1.00 0.00 C +ATOM 37 CA GLY A 37 234.303 253.117 235.869 1.00 0.00 C +ATOM 38 CA PRO A 38 232.377 250.415 233.996 1.00 0.00 C +ATOM 39 CA ARG A 39 230.827 249.379 230.673 1.00 0.00 C +ATOM 40 CA GLN A 40 228.343 246.647 231.609 1.00 0.00 C +ATOM 41 CA VAL A 41 228.997 243.049 232.681 1.00 0.00 C +ATOM 42 CA PRO A 42 231.154 240.994 235.055 1.00 0.00 C +ATOM 43 CA GLU A 43 233.522 239.494 237.636 1.00 0.00 C +ATOM 44 CA HIS A 44 235.970 241.992 239.146 1.00 0.00 C +ATOM 45 CA PRO A 45 237.175 245.191 237.463 1.00 0.00 C +ATOM 46 CA PRO A 46 236.791 248.331 239.587 1.00 0.00 C +ATOM 47 CA GLY A 47 235.401 250.873 242.062 1.00 0.00 C +ATOM 48 CA VAL A 48 236.494 251.699 245.617 1.00 0.00 C +ATOM 49 CA PRO A 49 239.721 252.510 247.474 1.00 0.00 C +ATOM 50 CA ALA A 50 241.376 253.134 250.849 1.00 0.00 C +ATOM 51 CA ARG A 51 241.686 250.903 253.921 1.00 0.00 C +ATOM 52 CA TRP A 52 241.108 248.573 256.880 1.00 0.00 C +ATOM 53 CA THR A 53 238.737 249.161 259.804 1.00 0.00 C +ATOM 54 CA GLU A 54 235.362 249.904 258.201 1.00 0.00 C +ATOM 55 CA ALA A 55 235.411 251.796 254.895 1.00 0.00 C +ATOM 56 CA THR A 56 234.309 253.384 251.612 1.00 0.00 C +ATOM 57 CA SER A 57 231.213 255.437 252.460 1.00 0.00 C +ATOM 58 CA PRO A 58 230.469 258.938 253.764 1.00 0.00 C +ATOM 59 CA CYS A 59 231.481 261.489 256.407 1.00 0.00 C +ATOM 60 CA ALA A 60 235.210 261.514 257.188 1.00 0.00 C +ATOM 61 CA SER A 61 238.127 259.070 256.997 1.00 0.00 C +ATOM 62 CA ALA A 62 240.487 259.807 259.896 1.00 0.00 C +ATOM 63 CA ALA A 63 242.461 262.233 262.072 1.00 0.00 C +ATOM 64 CA VAL A 64 243.697 261.565 265.613 1.00 0.00 C +ATOM 65 CA ARG A 65 243.778 264.863 267.519 1.00 0.00 C +ATOM 66 CA THR A 66 245.551 264.603 270.881 1.00 0.00 C +ATOM 67 CA VAL A 67 246.509 261.954 273.447 1.00 0.00 C +ATOM 68 CA PRO A 68 249.667 260.920 275.311 1.00 0.00 C +ATOM 69 CA GLY A 69 252.773 262.544 273.818 1.00 0.00 C +ATOM 70 CA GLY A 70 255.201 263.120 270.939 1.00 0.00 C +ATOM 71 CA SER A 71 256.401 261.754 267.591 1.00 0.00 C +ATOM 72 CA GLY A 72 260.021 262.884 267.227 1.00 0.00 C +ATOM 73 CA ARG A 73 261.433 265.510 269.599 1.00 0.00 C +ATOM 74 CA GLY A 74 264.809 267.191 270.140 1.00 0.00 C +ATOM 75 CA SER A 75 266.472 269.559 267.662 1.00 0.00 C +ATOM 76 CA ALA A 76 267.528 267.825 264.437 1.00 0.00 C +ATOM 77 CA GLY A 77 266.557 264.365 263.173 1.00 0.00 C +ATOM 78 CA ARG A 78 267.287 261.413 260.877 1.00 0.00 C +ATOM 79 CA ARG A 79 269.443 258.393 261.742 1.00 0.00 C +ATOM 80 CA SER A 80 270.471 255.534 264.041 1.00 0.00 C +ATOM 81 CA PRO A 81 267.908 253.100 265.463 1.00 0.00 C +ATOM 82 CA ARG A 82 268.055 249.392 266.329 1.00 0.00 C +ATOM 83 CA GLY A 83 266.224 246.135 267.073 1.00 0.00 C +ATOM 84 CA PRO A 84 263.518 243.649 268.077 1.00 0.00 C +ATOM 85 CA HIS A 85 262.606 239.984 268.584 1.00 0.00 C +ATOM 86 CA ALA A 86 260.703 239.688 271.872 1.00 0.00 C +ATOM 87 CA GLY A 87 257.884 237.208 271.224 1.00 0.00 C +ATOM 88 CA SER A 88 259.217 233.769 272.183 1.00 0.00 C +ATOM 89 CA LEU A 89 262.263 233.708 274.472 1.00 0.00 C +ATOM 90 CA PRO A 90 264.326 231.345 276.634 1.00 0.00 C +ATOM 91 CA PRO A 91 266.702 229.013 274.782 1.00 0.00 C +ATOM 92 CA VAL A 92 270.271 227.952 273.975 1.00 0.00 C +ATOM 93 CA GLU A 93 270.226 226.300 270.543 1.00 0.00 C +ATOM 94 CA GLY A 94 272.545 227.446 267.746 1.00 0.00 C +ATOM 95 CA ALA A 95 273.167 229.815 264.828 1.00 0.00 C +ATOM 96 CA GLY A 96 271.828 230.515 261.330 1.00 0.00 C +ATOM 97 CA ARG A 97 270.364 230.653 257.815 1.00 0.00 C +ATOM 98 CA GLY A 98 269.388 232.817 254.835 1.00 0.00 C +ATOM 99 CA THR A 99 268.514 234.949 251.801 1.00 0.00 C +ATOM 100 CA ARG A 100 270.841 237.961 251.960 1.00 0.00 C +ATOM 101 CA VAL A 101 270.651 241.472 253.428 1.00 0.00 C +ATOM 102 CA ARG A 102 272.871 243.555 255.720 1.00 0.00 C +ATOM 103 CA ALA A 103 275.778 245.045 257.680 1.00 0.00 C +TER 104 ALA A 103 +END diff --git a/Mammals/Q4R695/Q4R695.dcd b/Mammals/Q4R695/Q4R695.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b307ce63f945b9ba954b2a62049b8e01ad449f5c --- /dev/null +++ b/Mammals/Q4R695/Q4R695.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ed660705e8d279d31b160b28bd18de785312acb7512e16efaba1baa26b0ffe44 +size 19640276 diff --git a/Mammals/Q4R695/top.pdb b/Mammals/Q4R695/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b8fd611a26a69d81756e059165e279cd256da0ad --- /dev/null +++ b/Mammals/Q4R695/top.pdb @@ -0,0 +1,161 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 208.807 270.458 232.735 1.00 0.00 C +ATOM 2 CA ALA A 2 212.434 271.126 231.776 1.00 0.00 C +ATOM 3 CA THR A 3 215.956 271.191 233.228 1.00 0.00 C +ATOM 4 CA GLY A 4 219.185 272.088 231.415 1.00 0.00 C +ATOM 5 CA GLY A 5 222.349 270.323 230.237 1.00 0.00 C +ATOM 6 CA GLY A 6 222.869 266.791 228.907 1.00 0.00 C +ATOM 7 CA PRO A 7 223.585 264.175 226.231 1.00 0.00 C +ATOM 8 CA PHE A 8 225.147 262.398 223.245 1.00 0.00 C +ATOM 9 CA GLU A 9 222.976 259.476 222.121 1.00 0.00 C +ATOM 10 CA ASP A 10 222.193 257.086 224.983 1.00 0.00 C +ATOM 11 CA GLY A 11 218.807 256.722 226.691 1.00 0.00 C +ATOM 12 CA MET A 12 215.677 254.566 226.428 1.00 0.00 C +ATOM 13 CA ASN A 13 213.257 251.820 227.488 1.00 0.00 C +ATOM 14 CA ASP A 14 210.750 249.448 225.875 1.00 0.00 C +ATOM 15 CA GLN A 15 208.437 247.500 223.558 1.00 0.00 C +ATOM 16 CA ASP A 16 204.804 248.613 223.838 1.00 0.00 C +ATOM 17 CA LEU A 17 201.838 246.992 225.597 1.00 0.00 C +ATOM 18 CA PRO A 18 201.102 246.789 229.330 1.00 0.00 C +ATOM 19 CA ASN A 19 197.731 246.602 231.094 1.00 0.00 C +ATOM 20 CA TRP A 20 197.275 243.075 232.463 1.00 0.00 C +ATOM 21 CA SER A 21 198.718 240.947 235.275 1.00 0.00 C +ATOM 22 CA ASN A 22 201.033 238.457 236.995 1.00 0.00 C +ATOM 23 CA GLU A 23 201.148 234.857 238.235 1.00 0.00 C +ATOM 24 CA ASN A 24 200.172 232.958 241.391 1.00 0.00 C +ATOM 25 CA VAL A 25 196.832 231.137 241.195 1.00 0.00 C +ATOM 26 CA ASP A 26 194.944 231.969 244.398 1.00 0.00 C +ATOM 27 CA ASP A 27 195.665 232.324 248.122 1.00 0.00 C +ATOM 28 CA ARG A 28 199.030 230.693 248.849 1.00 0.00 C +ATOM 29 CA LEU A 29 200.194 227.993 246.425 1.00 0.00 C +ATOM 30 CA ASN A 30 201.473 225.029 248.448 1.00 0.00 C +ATOM 31 CA ASN A 31 199.367 221.878 248.061 1.00 0.00 C +ATOM 32 CA MET A 32 198.656 221.176 244.384 1.00 0.00 C +ATOM 33 CA ASP A 33 201.491 220.707 241.882 1.00 0.00 C +ATOM 34 CA TRP A 34 202.311 218.521 238.871 1.00 0.00 C +ATOM 35 CA GLY A 35 205.983 218.312 237.875 1.00 0.00 C +ATOM 36 CA GLY A 36 208.218 219.875 240.535 1.00 0.00 C +ATOM 37 CA GLN A 37 211.805 220.953 241.231 1.00 0.00 C +ATOM 38 CA GLN A 38 212.822 224.243 242.860 1.00 0.00 C +ATOM 39 CA LYS A 39 212.888 228.050 243.013 1.00 0.00 C +ATOM 40 CA LYS A 40 211.739 231.010 240.909 1.00 0.00 C +ATOM 41 CA ALA A 41 209.286 233.773 241.839 1.00 0.00 C +ATOM 42 CA ASN A 42 207.209 234.278 238.685 1.00 0.00 C +ATOM 43 CA ARG A 43 209.459 236.211 236.293 1.00 0.00 C +ATOM 44 CA SER A 44 209.524 239.980 236.846 1.00 0.00 C +ATOM 45 CA SER A 45 208.364 243.448 237.915 1.00 0.00 C +ATOM 46 CA GLU A 46 208.410 247.213 238.499 1.00 0.00 C +ATOM 47 CA LYS A 47 208.799 249.828 241.242 1.00 0.00 C +ATOM 48 CA ASN A 48 211.009 252.865 241.880 1.00 0.00 C +ATOM 49 CA LYS A 49 214.533 254.308 241.762 1.00 0.00 C +ATOM 50 CA LYS A 50 215.893 257.768 242.600 1.00 0.00 C +ATOM 51 CA LYS A 51 219.293 258.473 244.166 1.00 0.00 C +ATOM 52 CA PHE A 52 221.286 259.001 247.370 1.00 0.00 C +ATOM 53 CA GLY A 53 223.761 261.896 247.413 1.00 0.00 C +ATOM 54 CA VAL A 54 225.607 263.750 244.643 1.00 0.00 C +ATOM 55 CA GLU A 55 226.043 266.871 242.501 1.00 0.00 C +ATOM 56 CA SER A 56 227.998 267.859 239.384 1.00 0.00 C +ATOM 57 CA ASP A 57 229.391 271.403 239.256 1.00 0.00 C +ATOM 58 CA LYS A 58 233.051 271.278 238.205 1.00 0.00 C +ATOM 59 CA ARG A 59 235.909 272.268 240.521 1.00 0.00 C +ATOM 60 CA VAL A 60 237.606 272.955 243.862 1.00 0.00 C +ATOM 61 CA THR A 61 237.525 272.416 247.633 1.00 0.00 C +ATOM 62 CA ASN A 62 238.039 271.383 251.264 1.00 0.00 C +ATOM 63 CA ASP A 63 241.323 272.732 252.647 1.00 0.00 C +ATOM 64 CA ILE A 64 245.031 273.551 252.950 1.00 0.00 C +ATOM 65 CA SER A 65 246.546 274.914 256.170 1.00 0.00 C +ATOM 66 CA PRO A 66 249.069 277.348 257.662 1.00 0.00 C +ATOM 67 CA GLU A 67 248.757 280.335 260.006 1.00 0.00 C +ATOM 68 CA SER A 68 251.026 280.485 263.063 1.00 0.00 C +ATOM 69 CA SER A 69 253.480 282.874 264.732 1.00 0.00 C +ATOM 70 CA PRO A 70 256.678 284.525 265.982 1.00 0.00 C +ATOM 71 CA GLY A 71 259.117 281.735 266.868 1.00 0.00 C +ATOM 72 CA VAL A 72 261.757 280.584 264.374 1.00 0.00 C +ATOM 73 CA GLY A 73 262.304 278.760 261.075 1.00 0.00 C +ATOM 74 CA ARG A 74 265.870 278.791 259.733 1.00 0.00 C +ATOM 75 CA ARG A 75 269.327 280.361 259.410 1.00 0.00 C +ATOM 76 CA ARG A 76 272.557 282.377 259.288 1.00 0.00 C +ATOM 77 CA THR A 77 275.166 285.106 258.771 1.00 0.00 C +ATOM 78 CA LYS A 78 277.313 285.270 261.914 1.00 0.00 C +ATOM 79 CA THR A 79 277.738 285.583 265.687 1.00 0.00 C +ATOM 80 CA PRO A 80 274.743 283.780 267.202 1.00 0.00 C +ATOM 81 CA HIS A 81 271.021 283.704 268.008 1.00 0.00 C +ATOM 82 CA THR A 82 267.813 282.592 269.737 1.00 0.00 C +ATOM 83 CA PHE A 83 265.566 279.546 269.301 1.00 0.00 C +ATOM 84 CA PRO A 84 266.838 277.276 266.517 1.00 0.00 C +ATOM 85 CA HIS A 85 266.319 273.780 265.096 1.00 0.00 C +ATOM 86 CA SER A 86 264.402 271.023 263.295 1.00 0.00 C +ATOM 87 CA ARG A 87 264.547 267.247 263.778 1.00 0.00 C +ATOM 88 CA TYR A 88 266.880 264.244 263.539 1.00 0.00 C +ATOM 89 CA MET A 89 269.548 262.823 261.220 1.00 0.00 C +ATOM 90 CA SER A 90 271.750 265.740 260.148 1.00 0.00 C +ATOM 91 CA GLN A 91 271.016 269.213 261.532 1.00 0.00 C +ATOM 92 CA MET A 92 272.065 268.994 265.188 1.00 0.00 C +ATOM 93 CA SER A 93 275.270 267.683 266.778 1.00 0.00 C +ATOM 94 CA VAL A 94 278.693 269.160 265.989 1.00 0.00 C +ATOM 95 CA PRO A 95 278.177 271.311 262.888 1.00 0.00 C +ATOM 96 CA GLU A 96 278.926 274.905 263.908 1.00 0.00 C +ATOM 97 CA GLN A 97 282.597 275.909 264.085 1.00 0.00 C +ATOM 98 CA ALA A 98 285.555 276.315 261.719 1.00 0.00 C +ATOM 99 CA GLU A 99 284.114 276.961 258.251 1.00 0.00 C +ATOM 100 CA LEU A 100 280.306 277.068 258.168 1.00 0.00 C +ATOM 101 CA GLU A 101 276.622 276.612 257.311 1.00 0.00 C +ATOM 102 CA LYS A 102 274.485 273.459 257.390 1.00 0.00 C +ATOM 103 CA LEU A 103 274.116 272.237 253.800 1.00 0.00 C +ATOM 104 CA LYS A 104 273.424 268.672 252.649 1.00 0.00 C +ATOM 105 CA GLN A 105 275.627 266.299 254.657 1.00 0.00 C +ATOM 106 CA ARG A 106 278.825 264.876 253.152 1.00 0.00 C +ATOM 107 CA ILE A 107 278.567 261.088 252.832 1.00 0.00 C +ATOM 108 CA ASN A 108 275.833 258.646 251.795 1.00 0.00 C +ATOM 109 CA PHE A 109 272.947 259.321 254.188 1.00 0.00 C +ATOM 110 CA SER A 110 270.299 258.566 256.821 1.00 0.00 C +ATOM 111 CA ASP A 111 269.395 255.211 258.385 1.00 0.00 C +ATOM 112 CA LEU A 112 268.663 251.476 258.557 1.00 0.00 C +ATOM 113 CA ASP A 113 270.530 248.304 257.573 1.00 0.00 C +ATOM 114 CA GLN A 114 273.993 246.846 258.207 1.00 0.00 C +ATOM 115 CA ARG A 115 276.576 244.276 259.322 1.00 0.00 C +ATOM 116 CA SER A 116 275.105 240.779 258.972 1.00 0.00 C +ATOM 117 CA ILE A 117 277.533 237.844 258.886 1.00 0.00 C +ATOM 118 CA GLY A 118 280.323 236.128 260.831 1.00 0.00 C +ATOM 119 CA SER A 119 282.791 238.870 261.783 1.00 0.00 C +ATOM 120 CA ASP A 120 286.389 238.715 260.540 1.00 0.00 C +ATOM 121 CA SER A 121 289.924 237.998 261.766 1.00 0.00 C +ATOM 122 CA GLN A 122 289.853 234.389 262.983 1.00 0.00 C +ATOM 123 CA GLY A 123 291.861 232.017 265.188 1.00 0.00 C +ATOM 124 CA ARG A 124 292.096 230.263 268.562 1.00 0.00 C +ATOM 125 CA ALA A 125 289.161 227.979 269.390 1.00 0.00 C +ATOM 126 CA THR A 126 285.775 228.411 271.081 1.00 0.00 C +ATOM 127 CA ALA A 127 283.184 226.506 269.037 1.00 0.00 C +ATOM 128 CA ALA A 128 281.478 223.665 267.158 1.00 0.00 C +ATOM 129 CA ASN A 129 279.665 221.248 264.837 1.00 0.00 C +ATOM 130 CA ASN A 130 277.898 220.818 261.489 1.00 0.00 C +ATOM 131 CA LYS A 131 276.592 222.520 258.340 1.00 0.00 C +ATOM 132 CA ARG A 132 274.232 225.241 259.583 1.00 0.00 C +ATOM 133 CA GLN A 133 270.538 224.980 260.477 1.00 0.00 C +ATOM 134 CA LEU A 134 269.404 221.589 259.163 1.00 0.00 C +ATOM 135 CA SER A 135 266.011 219.961 258.570 1.00 0.00 C +ATOM 136 CA GLU A 136 262.746 221.632 259.603 1.00 0.00 C +ATOM 137 CA ASN A 137 261.346 225.062 258.715 1.00 0.00 C +ATOM 138 CA ARG A 138 263.502 228.203 258.668 1.00 0.00 C +ATOM 139 CA LYS A 139 266.024 227.919 255.826 1.00 0.00 C +ATOM 140 CA PRO A 140 269.142 226.416 254.234 1.00 0.00 C +ATOM 141 CA PHE A 141 270.838 228.604 251.617 1.00 0.00 C +ATOM 142 CA ASN A 142 272.766 230.077 248.679 1.00 0.00 C +ATOM 143 CA PHE A 143 276.471 230.848 248.233 1.00 0.00 C +ATOM 144 CA LEU A 144 278.564 228.624 245.954 1.00 0.00 C +ATOM 145 CA PRO A 145 279.991 225.173 245.198 1.00 0.00 C +ATOM 146 CA MET A 146 282.163 225.729 242.118 1.00 0.00 C +ATOM 147 CA GLN A 147 285.714 224.955 240.974 1.00 0.00 C +ATOM 148 CA ILE A 148 289.295 224.645 242.238 1.00 0.00 C +ATOM 149 CA ASN A 149 290.192 225.550 245.828 1.00 0.00 C +ATOM 150 CA THR A 150 289.200 222.891 248.371 1.00 0.00 C +ATOM 151 CA ASN A 151 289.192 219.164 247.583 1.00 0.00 C +ATOM 152 CA LYS A 152 289.411 215.388 247.124 1.00 0.00 C +ATOM 153 CA SER A 153 290.617 212.626 244.794 1.00 0.00 C +ATOM 154 CA LYS A 154 292.801 209.734 243.616 1.00 0.00 C +ATOM 155 CA LEU A 155 295.876 211.243 241.948 1.00 0.00 C +ATOM 156 CA LEU A 156 297.975 208.658 240.096 1.00 0.00 C +ATOM 157 CA GLN A 157 299.595 208.897 236.656 1.00 0.00 C +TER 158 GLN A 157 +END diff --git a/Mammals/Q4R6J7/Q4R6J7.dcd b/Mammals/Q4R6J7/Q4R6J7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..6394cdf4bd80770c19d82bfe1864a61317700e49 --- /dev/null +++ b/Mammals/Q4R6J7/Q4R6J7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7c1ec76439b51d88d46f90461d5001ae5558b4054fc978cfa5ee57a41a209b3a +size 11120276 diff --git a/Mammals/Q4R6J7/top.pdb b/Mammals/Q4R6J7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..103681117bed6abb8fa22bdafaba3925794e151d --- /dev/null +++ b/Mammals/Q4R6J7/top.pdb @@ -0,0 +1,90 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 289.090 225.227 220.709 1.00 0.00 C +ATOM 2 CA GLU A 2 292.258 227.323 220.405 1.00 0.00 C +ATOM 3 CA THR A 3 293.558 230.642 219.061 1.00 0.00 C +ATOM 4 CA VAL A 4 293.006 233.348 221.685 1.00 0.00 C +ATOM 5 CA ASN A 5 291.189 236.697 221.661 1.00 0.00 C +ATOM 6 CA GLU A 6 290.170 237.987 218.224 1.00 0.00 C +ATOM 7 CA PRO A 7 286.767 239.580 217.592 1.00 0.00 C +ATOM 8 CA GLU A 8 283.243 239.350 216.162 1.00 0.00 C +ATOM 9 CA THR A 9 279.824 237.810 216.835 1.00 0.00 C +ATOM 10 CA GLY A 10 276.943 235.316 216.855 1.00 0.00 C +ATOM 11 CA GLU A 11 274.673 233.452 214.428 1.00 0.00 C +ATOM 12 CA VAL A 12 274.752 229.688 215.013 1.00 0.00 C +ATOM 13 CA SER A 13 274.479 227.320 217.985 1.00 0.00 C +ATOM 14 CA LYS A 14 275.617 224.490 220.267 1.00 0.00 C +ATOM 15 CA ASP A 15 275.586 220.898 221.537 1.00 0.00 C +ATOM 16 CA ALA A 16 273.077 218.572 223.213 1.00 0.00 C +ATOM 17 CA VAL A 17 270.669 215.928 224.528 1.00 0.00 C +ATOM 18 CA THR A 18 267.758 213.651 223.602 1.00 0.00 C +ATOM 19 CA VAL A 19 267.499 213.375 219.810 1.00 0.00 C +ATOM 20 CA LYS A 20 264.080 214.689 218.763 1.00 0.00 C +ATOM 21 CA GLN A 21 260.898 216.775 218.974 1.00 0.00 C +ATOM 22 CA GLU A 22 257.337 218.126 219.073 1.00 0.00 C +ATOM 23 CA LYS A 23 254.856 220.631 220.516 1.00 0.00 C +ATOM 24 CA ASN A 24 254.268 220.096 224.242 1.00 0.00 C +ATOM 25 CA ASN A 25 252.949 222.020 227.255 1.00 0.00 C +ATOM 26 CA GLU A 26 253.824 224.092 230.330 1.00 0.00 C +ATOM 27 CA TYR A 27 253.086 227.827 230.465 1.00 0.00 C +ATOM 28 CA CYS A 28 251.669 229.792 233.406 1.00 0.00 C +ATOM 29 CA LEU A 29 253.425 231.721 236.183 1.00 0.00 C +ATOM 30 CA GLN A 30 253.615 229.961 239.557 1.00 0.00 C +ATOM 31 CA ASP A 31 252.377 231.744 242.688 1.00 0.00 C +ATOM 32 CA ILE A 32 249.030 231.800 244.509 1.00 0.00 C +ATOM 33 CA ASP A 33 246.853 230.883 247.498 1.00 0.00 C +ATOM 34 CA ASP A 34 247.763 231.443 251.154 1.00 0.00 C +ATOM 35 CA LYS A 35 248.115 235.060 252.298 1.00 0.00 C +ATOM 36 CA LEU A 36 245.668 237.711 253.522 1.00 0.00 C +ATOM 37 CA SER A 37 247.497 241.039 253.208 1.00 0.00 C +ATOM 38 CA GLU A 38 247.838 244.823 252.930 1.00 0.00 C +ATOM 39 CA SER A 39 247.242 246.712 256.185 1.00 0.00 C +ATOM 40 CA ALA A 40 244.740 246.670 259.058 1.00 0.00 C +ATOM 41 CA GLU A 41 243.241 249.782 260.665 1.00 0.00 C +ATOM 42 CA ASP A 42 241.397 252.792 259.230 1.00 0.00 C +ATOM 43 CA ASP A 43 243.032 256.198 258.740 1.00 0.00 C +ATOM 44 CA ASP A 44 242.577 258.950 261.335 1.00 0.00 C +ATOM 45 CA ASP A 45 242.062 259.267 265.097 1.00 0.00 C +ATOM 46 CA ASP A 46 238.622 259.144 266.730 1.00 0.00 C +ATOM 47 CA ASP A 47 238.667 258.913 270.533 1.00 0.00 C +ATOM 48 CA THR A 48 241.663 258.648 272.871 1.00 0.00 C +ATOM 49 CA ASN A 49 244.344 256.541 271.173 1.00 0.00 C +ATOM 50 CA ASP A 50 248.059 257.014 270.472 1.00 0.00 C +ATOM 51 CA GLU A 51 248.505 258.527 267.004 1.00 0.00 C +ATOM 52 CA ASP A 52 248.374 259.155 263.248 1.00 0.00 C +ATOM 53 CA ASN A 53 251.976 258.745 262.077 1.00 0.00 C +ATOM 54 CA ASP A 54 254.862 260.011 259.935 1.00 0.00 C +ATOM 55 CA GLU A 55 258.452 261.081 260.630 1.00 0.00 C +ATOM 56 CA ASP A 56 258.084 264.285 262.658 1.00 0.00 C +ATOM 57 CA SER A 57 257.368 267.943 261.869 1.00 0.00 C +ATOM 58 CA ASN A 58 258.207 270.312 259.005 1.00 0.00 C +ATOM 59 CA PRO A 59 255.350 272.564 257.876 1.00 0.00 C +ATOM 60 CA LYS A 60 251.826 271.377 258.707 1.00 0.00 C +ATOM 61 CA LYS A 61 249.024 272.995 256.696 1.00 0.00 C +ATOM 62 CA ASN A 62 245.818 272.611 254.673 1.00 0.00 C +ATOM 63 CA THR A 63 242.055 272.560 255.269 1.00 0.00 C +ATOM 64 CA GLN A 64 239.766 275.276 256.646 1.00 0.00 C +ATOM 65 CA ALA A 65 236.752 274.575 258.870 1.00 0.00 C +ATOM 66 CA PRO A 66 237.490 274.015 262.565 1.00 0.00 C +ATOM 67 CA LEU A 67 237.172 270.539 264.092 1.00 0.00 C +ATOM 68 CA GLU A 68 234.407 268.516 262.425 1.00 0.00 C +ATOM 69 CA LEU A 69 230.782 267.344 262.387 1.00 0.00 C +ATOM 70 CA ASN A 70 227.040 266.751 261.984 1.00 0.00 C +ATOM 71 CA SER A 71 223.463 267.603 262.979 1.00 0.00 C +ATOM 72 CA SER A 72 222.614 267.492 266.691 1.00 0.00 C +ATOM 73 CA THR A 73 225.026 269.455 268.892 1.00 0.00 C +ATOM 74 CA GLY A 74 226.614 272.865 268.286 1.00 0.00 C +ATOM 75 CA SER A 75 228.751 275.725 269.617 1.00 0.00 C +ATOM 76 CA SER A 76 229.898 276.615 273.140 1.00 0.00 C +ATOM 77 CA PRO A 77 228.604 274.228 275.813 1.00 0.00 C +ATOM 78 CA LYS A 78 224.880 274.759 276.416 1.00 0.00 C +ATOM 79 CA LEU A 79 221.656 276.697 277.019 1.00 0.00 C +ATOM 80 CA GLN A 80 219.530 278.438 279.658 1.00 0.00 C +ATOM 81 CA ILE A 81 220.386 278.836 283.350 1.00 0.00 C +ATOM 82 CA HIS A 82 218.053 278.682 286.358 1.00 0.00 C +ATOM 83 CA ASP A 83 215.993 276.000 288.111 1.00 0.00 C +ATOM 84 CA THR A 84 212.813 276.724 290.081 1.00 0.00 C +ATOM 85 CA LEU A 85 210.601 277.354 293.118 1.00 0.00 C +ATOM 86 CA THR A 86 206.855 277.826 293.625 1.00 0.00 C +TER 87 THR A 86 +END diff --git a/Mammals/Q4R837/Q4R837.dcd b/Mammals/Q4R837/Q4R837.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a387962a544c1968af729ed1ee0cbc25773390fd --- /dev/null +++ b/Mammals/Q4R837/Q4R837.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:db188b7b0a244151ed57e923c57a73a781984dece16052127c19e0ee0c2104fd +size 45300276 diff --git a/Mammals/Q4R837/top.pdb b/Mammals/Q4R837/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..64b87da9b519bf0cdea977ec1aa185ddc5e519ec --- /dev/null +++ b/Mammals/Q4R837/top.pdb @@ -0,0 +1,249 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 266.711 255.222 258.822 1.00 0.00 C +ATOM 2 CA SER A 2 264.216 254.098 261.473 1.00 0.00 C +ATOM 3 CA ASP A 3 262.163 254.982 264.559 1.00 0.00 C +ATOM 4 CA GLU A 4 262.006 258.463 266.099 1.00 0.00 C +ATOM 5 CA PHE A 5 259.718 261.492 266.430 1.00 0.00 C +ATOM 6 CA SER A 6 256.277 262.161 264.938 1.00 0.00 C +ATOM 7 CA LEU A 7 254.284 264.911 266.666 1.00 0.00 C +ATOM 8 CA ALA A 8 251.117 264.108 268.625 1.00 0.00 C +ATOM 9 CA ASP A 9 249.501 266.956 270.572 1.00 0.00 C +ATOM 10 CA ALA A 10 247.273 269.750 271.894 1.00 0.00 C +ATOM 11 CA LEU A 11 245.054 268.351 274.657 1.00 0.00 C +ATOM 12 CA PRO A 12 243.988 265.297 276.670 1.00 0.00 C +ATOM 13 CA GLU A 13 240.726 265.008 278.617 1.00 0.00 C +ATOM 14 CA HIS A 14 237.944 263.175 280.466 1.00 0.00 C +ATOM 15 CA SER A 15 234.330 264.254 281.012 1.00 0.00 C +ATOM 16 CA PRO A 16 232.638 267.662 280.812 1.00 0.00 C +ATOM 17 CA ALA A 17 234.516 270.892 281.559 1.00 0.00 C +ATOM 18 CA LYS A 18 236.587 273.140 279.285 1.00 0.00 C +ATOM 19 CA THR A 19 236.866 275.537 276.337 1.00 0.00 C +ATOM 20 CA SER A 20 234.074 277.375 274.509 1.00 0.00 C +ATOM 21 CA ALA A 21 230.458 277.133 275.683 1.00 0.00 C +ATOM 22 CA VAL A 22 228.129 274.482 277.120 1.00 0.00 C +ATOM 23 CA SER A 23 225.779 273.205 279.834 1.00 0.00 C +ATOM 24 CA ASN A 24 226.676 270.524 282.388 1.00 0.00 C +ATOM 25 CA THR A 25 227.030 270.247 286.171 1.00 0.00 C +ATOM 26 CA LYS A 26 229.594 267.827 287.614 1.00 0.00 C +ATOM 27 CA PRO A 27 229.633 266.951 291.322 1.00 0.00 C +ATOM 28 CA GLY A 28 228.475 266.860 294.950 1.00 0.00 C +ATOM 29 CA GLN A 29 224.706 266.651 295.472 1.00 0.00 C +ATOM 30 CA PRO A 30 221.999 269.242 294.786 1.00 0.00 C +ATOM 31 CA PRO A 31 218.964 271.511 294.391 1.00 0.00 C +ATOM 32 CA GLN A 32 215.305 271.940 295.366 1.00 0.00 C +ATOM 33 CA GLY A 33 212.135 271.647 297.458 1.00 0.00 C +ATOM 34 CA TRP A 34 210.680 273.789 300.253 1.00 0.00 C +ATOM 35 CA PRO A 35 209.370 277.244 301.182 1.00 0.00 C +ATOM 36 CA GLY A 36 208.629 277.287 304.919 1.00 0.00 C +ATOM 37 CA SER A 37 210.791 279.104 307.478 1.00 0.00 C +ATOM 38 CA SER A 38 208.912 280.125 310.631 1.00 0.00 C +ATOM 39 CA PRO A 39 208.211 279.950 314.372 1.00 0.00 C +ATOM 40 CA TRP A 40 207.500 280.780 318.022 1.00 0.00 C +ATOM 41 CA ASN A 41 209.460 283.608 319.658 1.00 0.00 C +ATOM 42 CA ASN A 42 212.175 285.919 318.315 1.00 0.00 C +ATOM 43 CA PRO A 43 210.552 288.906 316.594 1.00 0.00 C +ATOM 44 CA SER A 44 208.039 289.764 313.862 1.00 0.00 C +ATOM 45 CA ALA A 45 209.607 288.456 310.646 1.00 0.00 C +ATOM 46 CA PRO A 46 208.711 289.782 307.188 1.00 0.00 C +ATOM 47 CA PRO A 47 207.290 287.300 304.671 1.00 0.00 C +ATOM 48 CA SER A 48 205.459 286.776 301.371 1.00 0.00 C +ATOM 49 CA VAL A 49 201.716 286.712 300.661 1.00 0.00 C +ATOM 50 CA PRO A 50 199.036 289.308 301.435 1.00 0.00 C +ATOM 51 CA SER A 51 195.901 290.517 303.230 1.00 0.00 C +ATOM 52 CA GLY A 52 195.622 289.404 306.863 1.00 0.00 C +ATOM 53 CA LEU A 53 194.315 292.303 308.963 1.00 0.00 C +ATOM 54 CA PRO A 54 193.705 295.341 311.179 1.00 0.00 C +ATOM 55 CA PRO A 55 190.467 295.814 313.130 1.00 0.00 C +ATOM 56 CA SER A 56 187.390 294.083 311.697 1.00 0.00 C +ATOM 57 CA ALA A 57 184.998 295.719 309.223 1.00 0.00 C +ATOM 58 CA THR A 58 185.634 297.321 305.825 1.00 0.00 C +ATOM 59 CA PRO A 59 186.482 297.758 302.137 1.00 0.00 C +ATOM 60 CA SER A 60 189.072 295.536 300.443 1.00 0.00 C +ATOM 61 CA THR A 61 192.766 294.668 300.096 1.00 0.00 C +ATOM 62 CA VAL A 62 195.215 296.082 297.543 1.00 0.00 C +ATOM 63 CA PRO A 63 197.388 294.198 295.043 1.00 0.00 C +ATOM 64 CA PHE A 64 200.917 293.506 296.301 1.00 0.00 C +ATOM 65 CA GLY A 65 203.777 295.086 294.340 1.00 0.00 C +ATOM 66 CA PRO A 66 206.282 295.246 291.474 1.00 0.00 C +ATOM 67 CA ALA A 67 208.586 296.107 288.565 1.00 0.00 C +ATOM 68 CA PRO A 68 211.162 293.307 288.373 1.00 0.00 C +ATOM 69 CA THR A 69 214.937 292.814 288.217 1.00 0.00 C +ATOM 70 CA GLY A 70 217.106 295.126 286.104 1.00 0.00 C +ATOM 71 CA MET A 71 219.908 297.177 284.535 1.00 0.00 C +ATOM 72 CA TYR A 72 223.694 297.575 284.391 1.00 0.00 C +ATOM 73 CA PRO A 73 226.590 296.502 286.623 1.00 0.00 C +ATOM 74 CA SER A 74 229.312 293.967 285.797 1.00 0.00 C +ATOM 75 CA VAL A 75 228.148 290.357 285.440 1.00 0.00 C +ATOM 76 CA PRO A 76 230.017 288.085 283.020 1.00 0.00 C +ATOM 77 CA PRO A 77 231.527 288.994 279.642 1.00 0.00 C +ATOM 78 CA THR A 78 234.783 288.593 277.705 1.00 0.00 C +ATOM 79 CA GLY A 79 237.403 286.191 279.077 1.00 0.00 C +ATOM 80 CA PRO A 80 236.910 282.459 278.487 1.00 0.00 C +ATOM 81 CA PRO A 81 237.726 280.271 281.497 1.00 0.00 C +ATOM 82 CA PRO A 82 236.016 281.435 284.697 1.00 0.00 C +ATOM 83 CA GLY A 83 234.885 281.660 288.328 1.00 0.00 C +ATOM 84 CA PRO A 84 231.147 281.502 289.052 1.00 0.00 C +ATOM 85 CA PRO A 85 227.990 282.664 290.840 1.00 0.00 C +ATOM 86 CA ALA A 86 225.699 285.594 290.012 1.00 0.00 C +ATOM 87 CA PRO A 87 222.070 284.552 290.520 1.00 0.00 C +ATOM 88 CA PHE A 88 218.396 285.486 290.137 1.00 0.00 C +ATOM 89 CA PRO A 89 215.605 285.008 287.588 1.00 0.00 C +ATOM 90 CA PRO A 90 214.854 283.886 284.025 1.00 0.00 C +ATOM 91 CA SER A 91 213.665 284.510 280.459 1.00 0.00 C +ATOM 92 CA GLY A 92 214.400 286.216 277.133 1.00 0.00 C +ATOM 93 CA PRO A 93 214.725 284.608 273.694 1.00 0.00 C +ATOM 94 CA SER A 94 213.060 281.514 272.221 1.00 0.00 C +ATOM 95 CA CYS A 95 212.762 278.210 270.347 1.00 0.00 C +ATOM 96 CA PRO A 96 215.545 275.719 271.098 1.00 0.00 C +ATOM 97 CA PRO A 97 215.990 274.275 274.596 1.00 0.00 C +ATOM 98 CA PRO A 98 218.269 271.918 276.536 1.00 0.00 C +ATOM 99 CA GLY A 99 220.624 269.379 278.125 1.00 0.00 C +ATOM 100 CA GLY A 100 222.473 266.097 277.554 1.00 0.00 C +ATOM 101 CA PRO A 101 224.598 262.980 278.086 1.00 0.00 C +ATOM 102 CA TYR A 102 223.127 259.990 276.237 1.00 0.00 C +ATOM 103 CA PRO A 103 226.029 257.722 275.262 1.00 0.00 C +ATOM 104 CA ALA A 104 227.684 257.314 271.855 1.00 0.00 C +ATOM 105 CA PRO A 105 225.841 258.366 268.691 1.00 0.00 C +ATOM 106 CA THR A 106 226.043 257.168 265.080 1.00 0.00 C +ATOM 107 CA VAL A 107 223.563 257.244 262.188 1.00 0.00 C +ATOM 108 CA PRO A 108 221.262 256.383 259.276 1.00 0.00 C +ATOM 109 CA GLY A 109 219.279 254.226 256.840 1.00 0.00 C +ATOM 110 CA PRO A 110 219.780 255.363 253.238 1.00 0.00 C +ATOM 111 CA GLY A 111 221.568 256.330 250.016 1.00 0.00 C +ATOM 112 CA PRO A 112 222.605 253.529 247.651 1.00 0.00 C +ATOM 113 CA THR A 113 223.469 249.895 248.398 1.00 0.00 C +ATOM 114 CA GLY A 114 226.093 248.354 246.104 1.00 0.00 C +ATOM 115 CA PRO A 115 228.954 246.698 247.999 1.00 0.00 C +ATOM 116 CA TYR A 116 232.374 248.353 248.276 1.00 0.00 C +ATOM 117 CA PRO A 117 233.881 250.516 245.525 1.00 0.00 C +ATOM 118 CA THR A 118 237.195 250.766 243.662 1.00 0.00 C +ATOM 119 CA PRO A 119 239.045 251.230 240.364 1.00 0.00 C +ATOM 120 CA ASN A 120 240.160 251.595 236.739 1.00 0.00 C +ATOM 121 CA MET A 121 243.016 252.648 234.447 1.00 0.00 C +ATOM 122 CA PRO A 122 243.640 252.906 230.697 1.00 0.00 C +ATOM 123 CA PHE A 123 245.109 251.119 227.670 1.00 0.00 C +ATOM 124 CA PRO A 124 247.571 248.298 228.371 1.00 0.00 C +ATOM 125 CA GLU A 125 248.855 246.961 231.700 1.00 0.00 C +ATOM 126 CA LEU A 126 250.472 243.960 233.402 1.00 0.00 C +ATOM 127 CA PRO A 127 252.548 242.245 230.707 1.00 0.00 C +ATOM 128 CA ARG A 128 255.722 241.276 228.835 1.00 0.00 C +ATOM 129 CA PRO A 129 257.442 237.877 228.814 1.00 0.00 C +ATOM 130 CA TYR A 130 260.717 236.026 229.419 1.00 0.00 C +ATOM 131 CA GLY A 131 261.116 233.436 232.185 1.00 0.00 C +ATOM 132 CA ALA A 132 260.907 235.244 235.532 1.00 0.00 C +ATOM 133 CA PRO A 133 262.072 238.018 237.869 1.00 0.00 C +ATOM 134 CA THR A 134 265.324 240.003 237.863 1.00 0.00 C +ATOM 135 CA ASP A 135 269.078 239.384 237.664 1.00 0.00 C +ATOM 136 CA PRO A 136 272.700 240.544 237.446 1.00 0.00 C +ATOM 137 CA ALA A 137 275.195 243.107 238.758 1.00 0.00 C +ATOM 138 CA ALA A 138 278.284 244.766 240.250 1.00 0.00 C +ATOM 139 CA ALA A 139 281.535 246.555 241.113 1.00 0.00 C +ATOM 140 CA GLY A 140 282.223 249.681 239.046 1.00 0.00 C +ATOM 141 CA PRO A 141 280.868 251.582 236.035 1.00 0.00 C +ATOM 142 CA LEU A 142 283.637 252.349 233.534 1.00 0.00 C +ATOM 143 CA GLY A 143 287.218 253.641 233.380 1.00 0.00 C +ATOM 144 CA PRO A 144 291.024 253.508 233.490 1.00 0.00 C +ATOM 145 CA TRP A 145 294.583 253.543 234.852 1.00 0.00 C +ATOM 146 CA GLY A 146 296.654 250.346 234.935 1.00 0.00 C +ATOM 147 CA SER A 147 297.580 247.051 236.609 1.00 0.00 C +ATOM 148 CA MET A 148 295.270 244.326 235.286 1.00 0.00 C +ATOM 149 CA SER A 149 291.647 245.498 235.165 1.00 0.00 C +ATOM 150 CA SER A 150 288.932 242.879 235.699 1.00 0.00 C +ATOM 151 CA GLY A 151 286.321 240.126 235.358 1.00 0.00 C +ATOM 152 CA PRO A 152 284.867 238.615 238.540 1.00 0.00 C +ATOM 153 CA TRP A 153 282.040 239.318 240.995 1.00 0.00 C +ATOM 154 CA ALA A 154 279.696 236.318 240.829 1.00 0.00 C +ATOM 155 CA PRO A 155 279.148 232.557 240.567 1.00 0.00 C +ATOM 156 CA GLY A 156 277.564 231.526 243.875 1.00 0.00 C +ATOM 157 CA MET A 157 274.246 229.943 244.874 1.00 0.00 C +ATOM 158 CA GLY A 158 271.729 229.747 242.020 1.00 0.00 C +ATOM 159 CA GLY A 159 269.356 229.872 239.042 1.00 0.00 C +ATOM 160 CA GLN A 160 270.219 231.402 235.661 1.00 0.00 C +ATOM 161 CA TYR A 161 269.363 229.528 232.455 1.00 0.00 C +ATOM 162 CA PRO A 162 266.363 227.426 231.408 1.00 0.00 C +ATOM 163 CA THR A 163 264.356 224.526 229.968 1.00 0.00 C +ATOM 164 CA PRO A 164 263.108 221.125 228.789 1.00 0.00 C +ATOM 165 CA ASN A 165 259.399 220.330 228.434 1.00 0.00 C +ATOM 166 CA MET A 166 258.674 216.658 227.718 1.00 0.00 C +ATOM 167 CA PRO A 167 255.597 214.536 228.457 1.00 0.00 C +ATOM 168 CA TYR A 168 252.175 212.941 227.949 1.00 0.00 C +ATOM 169 CA PRO A 169 249.339 211.754 230.200 1.00 0.00 C +ATOM 170 CA SER A 170 248.147 213.892 233.120 1.00 0.00 C +ATOM 171 CA PRO A 171 250.130 217.078 233.777 1.00 0.00 C +ATOM 172 CA GLY A 172 249.090 220.442 232.323 1.00 0.00 C +ATOM 173 CA PRO A 173 251.201 223.122 230.626 1.00 0.00 C +ATOM 174 CA TYR A 174 251.666 226.300 228.577 1.00 0.00 C +ATOM 175 CA PRO A 175 252.405 228.095 225.298 1.00 0.00 C +ATOM 176 CA ALA A 176 252.326 227.527 221.532 1.00 0.00 C +ATOM 177 CA PRO A 177 253.778 226.363 218.207 1.00 0.00 C +ATOM 178 CA PRO A 178 252.578 228.217 215.102 1.00 0.00 C +ATOM 179 CA PRO A 179 249.444 228.385 212.941 1.00 0.00 C +ATOM 180 CA PRO A 180 249.475 231.123 210.292 1.00 0.00 C +ATOM 181 CA GLN A 181 251.543 230.786 207.109 1.00 0.00 C +ATOM 182 CA ALA A 182 255.033 229.923 208.370 1.00 0.00 C +ATOM 183 CA PRO A 183 258.034 228.630 206.411 1.00 0.00 C +ATOM 184 CA GLY A 184 260.199 226.111 208.277 1.00 0.00 C +ATOM 185 CA ALA A 185 257.805 223.467 209.617 1.00 0.00 C +ATOM 186 CA ALA A 186 254.405 222.519 211.051 1.00 0.00 C +ATOM 187 CA PRO A 187 253.759 218.783 211.426 1.00 0.00 C +ATOM 188 CA PRO A 188 256.564 216.246 211.887 1.00 0.00 C +ATOM 189 CA VAL A 189 257.703 213.892 209.117 1.00 0.00 C +ATOM 190 CA PRO A 190 260.540 211.737 210.468 1.00 0.00 C +ATOM 191 CA TRP A 191 261.592 208.376 211.920 1.00 0.00 C +ATOM 192 CA GLY A 192 264.732 206.252 211.533 1.00 0.00 C +ATOM 193 CA THR A 193 265.109 202.516 212.177 1.00 0.00 C +ATOM 194 CA VAL A 194 264.094 198.955 211.278 1.00 0.00 C +ATOM 195 CA PRO A 195 266.848 196.425 212.010 1.00 0.00 C +ATOM 196 CA PRO A 196 268.220 193.057 213.143 1.00 0.00 C +ATOM 197 CA GLY A 197 271.430 192.094 214.957 1.00 0.00 C +ATOM 198 CA ALA A 198 274.730 193.994 214.840 1.00 0.00 C +ATOM 199 CA TRP A 199 277.754 192.955 212.768 1.00 0.00 C +ATOM 200 CA GLY A 200 278.219 191.832 209.157 1.00 0.00 C +ATOM 201 CA PRO A 201 277.447 189.631 206.144 1.00 0.00 C +ATOM 202 CA PRO A 202 280.373 187.584 204.816 1.00 0.00 C +ATOM 203 CA ALA A 203 282.455 185.551 207.276 1.00 0.00 C +ATOM 204 CA PRO A 204 280.670 183.396 209.861 1.00 0.00 C +ATOM 205 CA TYR A 205 281.805 184.555 213.308 1.00 0.00 C +ATOM 206 CA PRO A 206 283.019 188.085 214.070 1.00 0.00 C +ATOM 207 CA ALA A 207 286.517 189.588 214.220 1.00 0.00 C +ATOM 208 CA PRO A 208 289.618 190.964 212.487 1.00 0.00 C +ATOM 209 CA THR A 209 292.692 192.226 210.623 1.00 0.00 C +ATOM 210 CA GLY A 210 296.009 190.677 211.681 1.00 0.00 C +ATOM 211 CA SER A 211 299.233 191.421 213.570 1.00 0.00 C +ATOM 212 CA TYR A 212 302.922 191.638 212.645 1.00 0.00 C +ATOM 213 CA PRO A 213 304.580 193.847 210.019 1.00 0.00 C +ATOM 214 CA THR A 214 307.756 195.551 208.785 1.00 0.00 C +ATOM 215 CA PRO A 215 308.623 198.034 206.028 1.00 0.00 C +ATOM 216 CA GLY A 216 308.719 201.395 207.820 1.00 0.00 C +ATOM 217 CA LEU A 217 306.187 204.024 206.728 1.00 0.00 C +ATOM 218 CA TYR A 218 307.459 206.729 204.364 1.00 0.00 C +ATOM 219 CA PRO A 219 306.412 206.976 200.709 1.00 0.00 C +ATOM 220 CA THR A 220 306.520 205.986 197.032 1.00 0.00 C +ATOM 221 CA PRO A 221 304.109 207.540 194.524 1.00 0.00 C +ATOM 222 CA SER A 222 305.486 210.946 193.517 1.00 0.00 C +ATOM 223 CA ASN A 223 308.358 213.442 193.320 1.00 0.00 C +ATOM 224 CA PRO A 224 308.924 213.956 189.587 1.00 0.00 C +ATOM 225 CA PHE A 225 308.978 217.515 188.229 1.00 0.00 C +ATOM 226 CA GLN A 226 305.983 219.528 189.452 1.00 0.00 C +ATOM 227 CA VAL A 227 303.261 221.338 187.494 1.00 0.00 C +ATOM 228 CA PRO A 228 301.918 224.717 188.631 1.00 0.00 C +ATOM 229 CA SER A 229 302.014 228.442 189.427 1.00 0.00 C +ATOM 230 CA GLY A 230 300.602 231.974 189.645 1.00 0.00 C +ATOM 231 CA PRO A 231 296.998 232.886 188.811 1.00 0.00 C +ATOM 232 CA SER A 232 294.647 235.847 189.281 1.00 0.00 C +ATOM 233 CA GLY A 233 290.937 236.572 188.804 1.00 0.00 C +ATOM 234 CA ALA A 234 288.701 237.425 191.769 1.00 0.00 C +ATOM 235 CA PRO A 235 287.740 240.908 192.978 1.00 0.00 C +ATOM 236 CA PRO A 236 289.314 243.993 194.566 1.00 0.00 C +ATOM 237 CA MET A 237 291.030 246.151 197.196 1.00 0.00 C +ATOM 238 CA PRO A 238 292.890 249.191 195.848 1.00 0.00 C +ATOM 239 CA GLY A 239 291.725 252.467 197.406 1.00 0.00 C +ATOM 240 CA GLY A 240 292.747 253.305 200.979 1.00 0.00 C +ATOM 241 CA PRO A 241 296.183 254.052 202.447 1.00 0.00 C +ATOM 242 CA HIS A 242 299.035 255.353 204.612 1.00 0.00 C +ATOM 243 CA SER A 243 301.322 256.478 207.444 1.00 0.00 C +ATOM 244 CA TYR A 244 301.811 253.797 210.107 1.00 0.00 C +ATOM 245 CA HIS A 245 299.745 253.971 213.303 1.00 0.00 C +TER 246 HIS A 245 +END diff --git a/Mammals/Q4R900/Q4R900.dcd b/Mammals/Q4R900/Q4R900.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c568590420a1813957453fb0547acccc1bb2a695 --- /dev/null +++ b/Mammals/Q4R900/Q4R900.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0392623c118ee4dfb697d39134837fe9ccc0ab85a5454f88d5f3c7e0e3f622b5 +size 136480276 diff --git a/Mammals/Q4R900/top.pdb b/Mammals/Q4R900/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..bc1029932212d80266aa570acc269e0fed490256 --- /dev/null +++ b/Mammals/Q4R900/top.pdb @@ -0,0 +1,566 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 1320.000 1320.000 1320.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 628.373 634.349 619.437 1.00 0.00 C +ATOM 2 CA ALA A 2 628.726 638.136 619.659 1.00 0.00 C +ATOM 3 CA SER A 3 630.904 641.210 620.227 1.00 0.00 C +ATOM 4 CA ARG A 4 632.434 644.691 619.995 1.00 0.00 C +ATOM 5 CA VAL A 5 629.480 646.947 619.159 1.00 0.00 C +ATOM 6 CA ARG A 6 627.193 648.906 621.494 1.00 0.00 C +ATOM 7 CA THR A 7 625.249 649.882 624.622 1.00 0.00 C +ATOM 8 CA PRO A 8 621.549 649.946 623.717 1.00 0.00 C +ATOM 9 CA THR A 9 621.159 650.350 619.948 1.00 0.00 C +ATOM 10 CA SER A 10 618.769 647.825 618.390 1.00 0.00 C +ATOM 11 CA GLN A 11 615.175 648.059 619.632 1.00 0.00 C +ATOM 12 CA GLN A 12 612.292 649.840 621.374 1.00 0.00 C +ATOM 13 CA LYS A 13 608.487 649.758 621.543 1.00 0.00 C +ATOM 14 CA ARG A 14 607.623 651.487 624.826 1.00 0.00 C +ATOM 15 CA SER A 15 604.567 652.075 627.024 1.00 0.00 C +ATOM 16 CA ARG A 16 601.327 651.471 625.111 1.00 0.00 C +ATOM 17 CA GLY A 17 597.649 651.954 625.979 1.00 0.00 C +ATOM 18 CA LYS A 18 597.450 654.302 628.973 1.00 0.00 C +ATOM 19 CA SER A 19 599.249 653.248 632.162 1.00 0.00 C +ATOM 20 CA TYR A 20 602.232 655.141 633.589 1.00 0.00 C +ATOM 21 CA GLY A 21 605.004 657.020 631.773 1.00 0.00 C +ATOM 22 CA ARG A 22 604.087 660.595 630.828 1.00 0.00 C +ATOM 23 CA PRO A 23 601.904 663.228 632.508 1.00 0.00 C +ATOM 24 CA ARG A 24 598.976 665.615 632.999 1.00 0.00 C +ATOM 25 CA THR A 25 595.470 664.159 633.320 1.00 0.00 C +ATOM 26 CA SER A 26 595.910 661.025 635.442 1.00 0.00 C +ATOM 27 CA ASN A 27 596.588 657.550 636.848 1.00 0.00 C +ATOM 28 CA ARG A 28 596.547 658.049 640.625 1.00 0.00 C +ATOM 29 CA GLU A 29 598.329 661.237 641.711 1.00 0.00 C +ATOM 30 CA ARG A 30 602.098 661.505 642.204 1.00 0.00 C +ATOM 31 CA SER A 31 604.591 664.145 643.358 1.00 0.00 C +ATOM 32 CA ASP A 32 603.813 667.868 643.587 1.00 0.00 C +ATOM 33 CA SER A 33 604.161 671.249 641.866 1.00 0.00 C +ATOM 34 CA GLN A 34 606.106 674.281 643.109 1.00 0.00 C +ATOM 35 CA PRO A 35 604.043 676.531 645.388 1.00 0.00 C +ATOM 36 CA ARG A 36 601.339 676.709 648.066 1.00 0.00 C +ATOM 37 CA ASN A 37 601.836 678.809 651.207 1.00 0.00 C +ATOM 38 CA MET A 38 602.099 679.588 654.927 1.00 0.00 C +ATOM 39 CA ASN A 39 604.640 681.819 656.681 1.00 0.00 C +ATOM 40 CA LYS A 40 607.100 682.648 659.470 1.00 0.00 C +ATOM 41 CA LYS A 41 610.063 685.036 659.277 1.00 0.00 C +ATOM 42 CA SER A 42 611.446 687.962 661.287 1.00 0.00 C +ATOM 43 CA TYR A 43 611.684 691.536 662.586 1.00 0.00 C +ATOM 44 CA ARG A 44 611.996 691.986 666.356 1.00 0.00 C +ATOM 45 CA PRO A 45 613.052 689.095 668.601 1.00 0.00 C +ATOM 46 CA PRO A 46 616.634 688.454 669.732 1.00 0.00 C +ATOM 47 CA GLY A 47 619.176 691.199 669.011 1.00 0.00 C +ATOM 48 CA GLY A 48 621.428 691.917 671.999 1.00 0.00 C +ATOM 49 CA SER A 49 620.658 691.327 675.684 1.00 0.00 C +ATOM 50 CA GLY A 50 619.724 694.534 677.517 1.00 0.00 C +ATOM 51 CA MET A 51 620.416 697.405 675.111 1.00 0.00 C +ATOM 52 CA GLY A 52 623.161 699.855 676.100 1.00 0.00 C +ATOM 53 CA ARG A 53 624.136 698.828 679.637 1.00 0.00 C +ATOM 54 CA SER A 54 623.629 699.305 683.383 1.00 0.00 C +ATOM 55 CA SER A 55 623.508 700.234 687.076 1.00 0.00 C +ATOM 56 CA GLU A 56 626.234 700.683 689.700 1.00 0.00 C +ATOM 57 CA LEU A 57 625.841 704.142 691.249 1.00 0.00 C +ATOM 58 CA ALA A 58 629.078 704.785 693.152 1.00 0.00 C +ATOM 59 CA VAL A 59 631.060 704.131 696.339 1.00 0.00 C +ATOM 60 CA THR A 60 634.348 705.034 698.040 1.00 0.00 C +ATOM 61 CA PRO A 61 637.838 703.510 698.138 1.00 0.00 C +ATOM 62 CA SER A 62 640.605 701.132 699.236 1.00 0.00 C +ATOM 63 CA THR A 63 642.944 698.281 698.278 1.00 0.00 C +ATOM 64 CA ALA A 64 643.429 698.267 694.499 1.00 0.00 C +ATOM 65 CA LYS A 65 645.258 696.443 691.698 1.00 0.00 C +ATOM 66 CA CYS A 66 647.776 694.678 689.448 1.00 0.00 C +ATOM 67 CA GLN A 67 649.862 695.046 686.281 1.00 0.00 C +ATOM 68 CA THR A 68 648.386 693.840 682.982 1.00 0.00 C +ATOM 69 CA LEU A 69 646.471 693.302 679.733 1.00 0.00 C +ATOM 70 CA THR A 70 647.714 695.817 677.155 1.00 0.00 C +ATOM 71 CA GLY A 71 648.659 695.772 673.464 1.00 0.00 C +ATOM 72 CA ILE A 72 649.440 699.252 672.126 1.00 0.00 C +ATOM 73 CA PRO A 73 651.986 701.264 674.123 1.00 0.00 C +ATOM 74 CA SER A 74 653.868 704.364 675.293 1.00 0.00 C +ATOM 75 CA LYS A 75 656.995 705.225 677.291 1.00 0.00 C +ATOM 76 CA GLU A 76 660.705 705.457 678.128 1.00 0.00 C +ATOM 77 CA LYS A 77 663.776 703.520 676.974 1.00 0.00 C +ATOM 78 CA SER A 78 665.207 701.338 679.751 1.00 0.00 C +ATOM 79 CA ASP A 79 665.242 702.626 683.336 1.00 0.00 C +ATOM 80 CA SER A 80 668.706 702.707 684.921 1.00 0.00 C +ATOM 81 CA PRO A 81 669.896 705.604 687.091 1.00 0.00 C +ATOM 82 CA SER A 82 670.348 709.386 687.005 1.00 0.00 C +ATOM 83 CA PRO A 83 671.434 712.802 685.712 1.00 0.00 C +ATOM 84 CA SER A 84 669.344 715.922 686.354 1.00 0.00 C +ATOM 85 CA SER A 85 670.864 719.361 686.968 1.00 0.00 C +ATOM 86 CA SER A 86 670.757 723.135 686.457 1.00 0.00 C +ATOM 87 CA ARG A 87 667.950 725.311 685.077 1.00 0.00 C +ATOM 88 CA LYS A 88 666.555 728.840 685.413 1.00 0.00 C +ATOM 89 CA VAL A 89 662.921 728.383 686.465 1.00 0.00 C +ATOM 90 CA LYS A 90 660.749 726.388 688.876 1.00 0.00 C +ATOM 91 CA SER A 91 660.241 723.711 691.539 1.00 0.00 C +ATOM 92 CA TYR A 92 658.505 725.536 694.398 1.00 0.00 C +ATOM 93 CA GLY A 93 655.005 726.778 695.249 1.00 0.00 C +ATOM 94 CA GLN A 94 653.998 729.340 697.883 1.00 0.00 C +ATOM 95 CA MET A 95 652.615 732.559 696.387 1.00 0.00 C +ATOM 96 CA ILE A 96 649.711 734.667 695.107 1.00 0.00 C +ATOM 97 CA ILE A 97 649.548 737.840 693.005 1.00 0.00 C +ATOM 98 CA PRO A 98 652.871 738.463 691.248 1.00 0.00 C +ATOM 99 CA SER A 99 655.979 740.559 690.565 1.00 0.00 C +ATOM 100 CA ARG A 100 657.527 740.724 687.088 1.00 0.00 C +ATOM 101 CA GLU A 101 661.191 739.845 686.525 1.00 0.00 C +ATOM 102 CA LYS A 102 664.486 740.334 688.376 1.00 0.00 C +ATOM 103 CA SER A 103 668.063 739.214 687.693 1.00 0.00 C +ATOM 104 CA TYR A 104 671.061 741.486 687.085 1.00 0.00 C +ATOM 105 CA SER A 105 672.545 740.445 683.734 1.00 0.00 C +ATOM 106 CA PRO A 106 676.057 739.086 683.151 1.00 0.00 C +ATOM 107 CA THR A 107 678.873 739.915 680.722 1.00 0.00 C +ATOM 108 CA GLU A 108 682.149 738.392 679.512 1.00 0.00 C +ATOM 109 CA THR A 109 684.955 739.604 677.238 1.00 0.00 C +ATOM 110 CA SER A 110 688.513 740.606 678.165 1.00 0.00 C +ATOM 111 CA SER A 111 692.176 741.351 678.901 1.00 0.00 C +ATOM 112 CA ARG A 112 694.707 738.759 680.079 1.00 0.00 C +ATOM 113 CA VAL A 113 694.410 736.547 683.168 1.00 0.00 C +ATOM 114 CA LYS A 114 695.124 736.390 686.907 1.00 0.00 C +ATOM 115 CA SER A 115 697.885 733.792 687.291 1.00 0.00 C +ATOM 116 CA TYR A 116 700.198 732.106 689.805 1.00 0.00 C +ATOM 117 CA ASN A 117 701.347 728.883 688.127 1.00 0.00 C +ATOM 118 CA GLN A 118 701.519 726.051 690.670 1.00 0.00 C +ATOM 119 CA ALA A 119 699.263 723.293 689.321 1.00 0.00 C +ATOM 120 CA SER A 120 696.787 721.657 691.711 1.00 0.00 C +ATOM 121 CA THR A 121 694.242 722.996 694.210 1.00 0.00 C +ATOM 122 CA HIS A 122 693.390 726.656 694.839 1.00 0.00 C +ATOM 123 CA SER A 123 690.646 728.405 696.821 1.00 0.00 C +ATOM 124 CA ARG A 124 686.941 727.681 696.309 1.00 0.00 C +ATOM 125 CA PRO A 125 684.585 724.871 695.275 1.00 0.00 C +ATOM 126 CA GLN A 126 681.354 723.524 693.771 1.00 0.00 C +ATOM 127 CA SER A 127 678.618 725.253 691.761 1.00 0.00 C +ATOM 128 CA HIS A 128 677.567 728.347 693.720 1.00 0.00 C +ATOM 129 CA SER A 129 676.198 731.374 695.586 1.00 0.00 C +ATOM 130 CA GLN A 130 673.229 731.322 697.972 1.00 0.00 C +ATOM 131 CA SER A 131 670.276 730.437 700.211 1.00 0.00 C +ATOM 132 CA ARG A 132 669.270 730.337 703.884 1.00 0.00 C +ATOM 133 CA SER A 133 670.635 731.902 707.078 1.00 0.00 C +ATOM 134 CA PRO A 134 674.264 732.571 708.025 1.00 0.00 C +ATOM 135 CA ARG A 135 677.077 734.030 705.909 1.00 0.00 C +ATOM 136 CA ARG A 136 678.199 733.205 702.362 1.00 0.00 C +ATOM 137 CA SER A 137 681.556 731.449 701.965 1.00 0.00 C +ATOM 138 CA ARG A 138 682.553 728.011 700.658 1.00 0.00 C +ATOM 139 CA SER A 139 680.511 724.833 700.161 1.00 0.00 C +ATOM 140 CA GLY A 140 676.843 725.838 699.936 1.00 0.00 C +ATOM 141 CA SER A 141 673.925 724.853 697.694 1.00 0.00 C +ATOM 142 CA GLN A 142 671.712 722.590 695.573 1.00 0.00 C +ATOM 143 CA LYS A 143 668.226 724.081 695.192 1.00 0.00 C +ATOM 144 CA ARG A 144 666.472 724.293 691.817 1.00 0.00 C +ATOM 145 CA THR A 145 665.632 721.614 689.242 1.00 0.00 C +ATOM 146 CA HIS A 146 663.625 719.547 686.749 1.00 0.00 C +ATOM 147 CA SER A 147 664.836 719.156 683.158 1.00 0.00 C +ATOM 148 CA ARG A 148 662.896 717.509 680.323 1.00 0.00 C +ATOM 149 CA THR A 149 659.563 717.897 678.517 1.00 0.00 C +ATOM 150 CA ARG A 150 659.699 719.014 674.877 1.00 0.00 C +ATOM 151 CA SER A 151 659.300 721.730 672.235 1.00 0.00 C +ATOM 152 CA HIS A 152 657.306 724.847 671.327 1.00 0.00 C +ATOM 153 CA SER A 153 654.312 724.260 669.046 1.00 0.00 C +ATOM 154 CA TRP A 154 650.554 724.400 668.431 1.00 0.00 C +ATOM 155 CA LYS A 155 648.366 726.344 670.871 1.00 0.00 C +ATOM 156 CA ARG A 156 645.798 728.884 669.660 1.00 0.00 C +ATOM 157 CA ASN A 157 644.144 730.589 666.682 1.00 0.00 C +ATOM 158 CA HIS A 158 645.989 730.218 663.369 1.00 0.00 C +ATOM 159 CA SER A 159 646.352 726.775 661.777 1.00 0.00 C +ATOM 160 CA ARG A 160 644.188 724.189 660.003 1.00 0.00 C +ATOM 161 CA ALA A 161 641.833 721.859 658.123 1.00 0.00 C +ATOM 162 CA ARG A 162 642.316 718.168 658.936 1.00 0.00 C +ATOM 163 CA SER A 163 644.883 715.462 658.159 1.00 0.00 C +ATOM 164 CA ARG A 164 646.823 712.997 655.997 1.00 0.00 C +ATOM 165 CA THR A 165 648.450 709.553 655.909 1.00 0.00 C +ATOM 166 CA ARG A 166 650.793 706.553 656.077 1.00 0.00 C +ATOM 167 CA LYS A 167 654.416 705.987 657.110 1.00 0.00 C +ATOM 168 CA GLY A 168 656.394 708.366 659.334 1.00 0.00 C +ATOM 169 CA ILE A 169 656.410 711.186 661.896 1.00 0.00 C +ATOM 170 CA LEU A 170 654.846 714.647 661.596 1.00 0.00 C +ATOM 171 CA SER A 171 654.596 716.250 658.149 1.00 0.00 C +ATOM 172 CA GLN A 172 653.542 716.836 654.534 1.00 0.00 C +ATOM 173 CA THR A 173 652.946 714.688 651.445 1.00 0.00 C +ATOM 174 CA GLY A 174 653.051 713.799 647.741 1.00 0.00 C +ATOM 175 CA ARG A 175 649.621 713.288 646.163 1.00 0.00 C +ATOM 176 CA HIS A 176 647.300 710.936 644.266 1.00 0.00 C +ATOM 177 CA SER A 177 643.635 711.090 643.238 1.00 0.00 C +ATOM 178 CA GLN A 178 640.848 713.498 642.259 1.00 0.00 C +ATOM 179 CA SER A 179 637.940 714.996 640.308 1.00 0.00 C +ATOM 180 CA ARG A 180 636.467 713.274 637.244 1.00 0.00 C +ATOM 181 CA THR A 181 635.190 709.685 637.225 1.00 0.00 C +ATOM 182 CA HIS A 182 634.454 708.889 633.572 1.00 0.00 C +ATOM 183 CA SER A 183 636.926 708.476 630.703 1.00 0.00 C +ATOM 184 CA LYS A 184 636.756 707.055 627.172 1.00 0.00 C +ATOM 185 CA GLY A 185 639.299 704.242 626.795 1.00 0.00 C +ATOM 186 CA LYS A 186 639.412 703.132 623.153 1.00 0.00 C +ATOM 187 CA SER A 187 639.909 703.006 619.377 1.00 0.00 C +ATOM 188 CA GLN A 188 641.604 703.875 616.077 1.00 0.00 C +ATOM 189 CA ASN A 189 639.777 704.421 612.779 1.00 0.00 C +ATOM 190 CA GLN A 190 636.912 701.998 612.117 1.00 0.00 C +ATOM 191 CA PRO A 191 635.382 698.758 613.412 1.00 0.00 C +ATOM 192 CA ARG A 192 634.760 697.018 616.744 1.00 0.00 C +ATOM 193 CA THR A 193 632.291 694.127 616.995 1.00 0.00 C +ATOM 194 CA PRO A 194 632.366 690.330 616.695 1.00 0.00 C +ATOM 195 CA ARG A 195 635.727 688.605 616.198 1.00 0.00 C +ATOM 196 CA ARG A 196 637.912 687.733 613.202 1.00 0.00 C +ATOM 197 CA GLY A 197 641.085 685.961 614.347 1.00 0.00 C +ATOM 198 CA ARG A 198 643.726 688.270 615.834 1.00 0.00 C +ATOM 199 CA SER A 199 647.284 689.343 614.997 1.00 0.00 C +ATOM 200 CA HIS A 200 649.809 686.797 613.710 1.00 0.00 C +ATOM 201 CA ASN A 201 648.731 683.194 613.097 1.00 0.00 C +ATOM 202 CA TRP A 202 648.411 680.056 610.960 1.00 0.00 C +ATOM 203 CA SER A 203 649.419 677.988 607.923 1.00 0.00 C +ATOM 204 CA ARG A 204 651.196 674.659 608.442 1.00 0.00 C +ATOM 205 CA ASN A 205 652.253 671.662 606.340 1.00 0.00 C +ATOM 206 CA PRO A 206 651.338 667.965 606.238 1.00 0.00 C +ATOM 207 CA SER A 207 651.002 665.326 608.965 1.00 0.00 C +ATOM 208 CA GLU A 208 651.426 661.540 608.912 1.00 0.00 C +ATOM 209 CA GLU A 209 650.378 658.478 610.922 1.00 0.00 C +ATOM 210 CA ARG A 210 652.321 656.536 613.562 1.00 0.00 C +ATOM 211 CA SER A 211 651.208 653.289 615.214 1.00 0.00 C +ATOM 212 CA HIS A 212 649.611 650.796 612.816 1.00 0.00 C +ATOM 213 CA SER A 213 650.202 647.466 611.060 1.00 0.00 C +ATOM 214 CA HIS A 214 653.845 646.354 610.982 1.00 0.00 C +ATOM 215 CA SER A 215 656.373 647.386 613.638 1.00 0.00 C +ATOM 216 CA ARG A 216 659.485 649.582 613.740 1.00 0.00 C +ATOM 217 CA SER A 217 662.057 652.020 612.341 1.00 0.00 C +ATOM 218 CA PHE A 218 665.636 650.715 612.375 1.00 0.00 C +ATOM 219 CA SER A 219 666.501 647.184 611.235 1.00 0.00 C +ATOM 220 CA LYS A 220 667.255 646.622 607.543 1.00 0.00 C +ATOM 221 CA ASP A 221 667.608 642.892 606.851 1.00 0.00 C +ATOM 222 CA ARG A 222 671.241 641.949 607.507 1.00 0.00 C +ATOM 223 CA ASP A 223 674.575 643.340 606.295 1.00 0.00 C +ATOM 224 CA ARG A 224 676.871 644.698 609.015 1.00 0.00 C +ATOM 225 CA ARG A 225 677.401 648.357 609.933 1.00 0.00 C +ATOM 226 CA GLY A 226 679.973 651.146 609.586 1.00 0.00 C +ATOM 227 CA SER A 227 682.609 651.706 612.280 1.00 0.00 C +ATOM 228 CA SER A 228 683.940 651.517 615.845 1.00 0.00 C +ATOM 229 CA SER A 229 682.345 652.913 619.011 1.00 0.00 C +ATOM 230 CA PRO A 230 680.082 651.666 621.811 1.00 0.00 C +ATOM 231 CA ARG A 231 676.989 651.842 624.029 1.00 0.00 C +ATOM 232 CA LYS A 232 673.467 652.789 622.927 1.00 0.00 C +ATOM 233 CA GLU A 233 671.428 649.622 622.354 1.00 0.00 C +ATOM 234 CA ASN A 234 671.658 648.485 618.725 1.00 0.00 C +ATOM 235 CA GLY A 235 670.392 645.122 617.459 1.00 0.00 C +ATOM 236 CA HIS A 236 670.417 641.492 618.614 1.00 0.00 C +ATOM 237 CA SER A 237 671.118 639.361 615.535 1.00 0.00 C +ATOM 238 CA GLN A 238 668.324 638.298 613.173 1.00 0.00 C +ATOM 239 CA SER A 239 669.261 635.541 610.715 1.00 0.00 C +ATOM 240 CA GLY A 240 672.755 634.058 610.387 1.00 0.00 C +ATOM 241 CA SER A 241 674.323 633.679 613.839 1.00 0.00 C +ATOM 242 CA PRO A 242 676.708 631.633 615.992 1.00 0.00 C +ATOM 243 CA ASN A 243 678.172 631.079 619.466 1.00 0.00 C +ATOM 244 CA LYS A 244 679.913 627.706 619.797 1.00 0.00 C +ATOM 245 CA GLN A 245 682.917 627.242 622.095 1.00 0.00 C +ATOM 246 CA ARG A 246 684.145 630.646 623.288 1.00 0.00 C +ATOM 247 CA ASP A 247 682.499 634.072 623.548 1.00 0.00 C +ATOM 248 CA ARG A 248 680.566 637.192 622.526 1.00 0.00 C +ATOM 249 CA SER A 249 680.399 640.986 622.217 1.00 0.00 C +ATOM 250 CA PRO A 250 678.479 643.139 619.729 1.00 0.00 C +ATOM 251 CA SER A 251 681.030 645.664 618.453 1.00 0.00 C +ATOM 252 CA ARG A 252 684.157 646.062 620.595 1.00 0.00 C +ATOM 253 CA SER A 253 683.350 645.790 624.308 1.00 0.00 C +ATOM 254 CA PRO A 254 684.958 644.811 627.621 1.00 0.00 C +ATOM 255 CA LYS A 255 685.824 644.932 631.329 1.00 0.00 C +ATOM 256 CA LYS A 256 684.759 641.833 633.273 1.00 0.00 C +ATOM 257 CA GLU A 257 681.457 640.358 634.472 1.00 0.00 C +ATOM 258 CA ARG A 258 678.981 641.982 636.870 1.00 0.00 C +ATOM 259 CA ASP A 259 680.517 642.809 640.257 1.00 0.00 C +ATOM 260 CA ARG A 260 678.440 643.590 643.354 1.00 0.00 C +ATOM 261 CA SER A 261 675.271 643.771 645.461 1.00 0.00 C +ATOM 262 CA ARG A 262 671.626 644.653 644.786 1.00 0.00 C +ATOM 263 CA SER A 263 668.205 646.168 644.070 1.00 0.00 C +ATOM 264 CA ARG A 264 664.588 646.299 645.260 1.00 0.00 C +ATOM 265 CA SER A 265 661.787 644.256 646.841 1.00 0.00 C +ATOM 266 CA PRO A 266 659.070 645.859 648.978 1.00 0.00 C +ATOM 267 CA ASN A 267 657.250 646.601 652.242 1.00 0.00 C +ATOM 268 CA LYS A 268 659.144 646.994 655.524 1.00 0.00 C +ATOM 269 CA ALA A 269 657.864 646.903 659.111 1.00 0.00 C +ATOM 270 CA ARG A 270 656.921 645.122 662.345 1.00 0.00 C +ATOM 271 CA ASP A 271 658.415 643.083 665.196 1.00 0.00 C +ATOM 272 CA HIS A 272 657.850 644.850 668.524 1.00 0.00 C +ATOM 273 CA SER A 273 654.960 644.387 670.963 1.00 0.00 C +ATOM 274 CA ARG A 274 652.390 641.604 670.554 1.00 0.00 C +ATOM 275 CA SER A 275 649.377 639.825 669.045 1.00 0.00 C +ATOM 276 CA ARG A 276 645.696 638.861 668.851 1.00 0.00 C +ATOM 277 CA SER A 277 645.211 637.068 665.525 1.00 0.00 C +ATOM 278 CA PRO A 278 646.542 638.344 662.190 1.00 0.00 C +ATOM 279 CA SER A 279 650.253 639.204 662.275 1.00 0.00 C +ATOM 280 CA LYS A 280 654.044 638.828 662.345 1.00 0.00 C +ATOM 281 CA GLU A 281 655.501 635.322 662.660 1.00 0.00 C +ATOM 282 CA ARG A 282 657.800 634.167 659.851 1.00 0.00 C +ATOM 283 CA ASP A 283 660.047 635.146 656.933 1.00 0.00 C +ATOM 284 CA HIS A 284 663.158 633.776 655.213 1.00 0.00 C +ATOM 285 CA SER A 285 666.122 636.167 655.099 1.00 0.00 C +ATOM 286 CA GLN A 286 669.242 635.684 657.232 1.00 0.00 C +ATOM 287 CA LEU A 287 670.937 638.945 658.234 1.00 0.00 C +ATOM 288 CA GLY A 288 669.076 642.235 657.754 1.00 0.00 C +ATOM 289 CA SER A 289 671.112 645.452 657.905 1.00 0.00 C +ATOM 290 CA PRO A 290 671.334 648.024 655.103 1.00 0.00 C +ATOM 291 CA SER A 291 670.535 650.371 652.210 1.00 0.00 C +ATOM 292 CA LYS A 292 667.586 649.344 650.027 1.00 0.00 C +ATOM 293 CA GLU A 293 664.552 651.637 650.258 1.00 0.00 C +ATOM 294 CA ARG A 294 664.810 655.264 651.396 1.00 0.00 C +ATOM 295 CA ASP A 295 661.579 655.979 653.283 1.00 0.00 C +ATOM 296 CA ARG A 296 662.635 656.657 656.880 1.00 0.00 C +ATOM 297 CA SER A 297 661.469 653.910 659.250 1.00 0.00 C +ATOM 298 CA ARG A 298 659.632 652.786 662.392 1.00 0.00 C +ATOM 299 CA SER A 299 658.706 655.002 665.350 1.00 0.00 C +ATOM 300 CA ARG A 300 655.390 654.889 667.222 1.00 0.00 C +ATOM 301 CA SER A 301 652.791 655.182 669.992 1.00 0.00 C +ATOM 302 CA PRO A 302 649.282 653.790 670.508 1.00 0.00 C +ATOM 303 CA SER A 303 646.455 654.101 673.043 1.00 0.00 C +ATOM 304 CA LYS A 304 642.770 654.235 672.081 1.00 0.00 C +ATOM 305 CA GLU A 305 641.543 652.750 668.794 1.00 0.00 C +ATOM 306 CA ARG A 306 644.689 651.964 666.794 1.00 0.00 C +ATOM 307 CA GLU A 307 646.324 650.395 663.731 1.00 0.00 C +ATOM 308 CA ARG A 308 648.876 648.600 661.545 1.00 0.00 C +ATOM 309 CA ARG A 309 649.417 650.376 658.218 1.00 0.00 C +ATOM 310 CA GLN A 310 649.222 652.107 654.829 1.00 0.00 C +ATOM 311 CA SER A 311 650.533 655.583 653.984 1.00 0.00 C +ATOM 312 CA ARG A 312 653.563 655.691 651.677 1.00 0.00 C +ATOM 313 CA SER A 313 656.240 658.373 651.283 1.00 0.00 C +ATOM 314 CA PRO A 314 655.353 660.202 648.061 1.00 0.00 C +ATOM 315 CA SER A 315 654.981 658.647 644.602 1.00 0.00 C +ATOM 316 CA LYS A 316 655.189 658.551 640.799 1.00 0.00 C +ATOM 317 CA GLU A 317 655.917 656.839 637.474 1.00 0.00 C +ATOM 318 CA ARG A 318 659.189 656.408 635.571 1.00 0.00 C +ATOM 319 CA ASP A 319 662.232 655.385 637.623 1.00 0.00 C +ATOM 320 CA HIS A 320 663.713 657.003 640.738 1.00 0.00 C +ATOM 321 CA ARG A 321 664.068 654.736 643.780 1.00 0.00 C +ATOM 322 CA ARG A 322 660.752 653.868 645.444 1.00 0.00 C +ATOM 323 CA SER A 323 658.599 652.256 648.142 1.00 0.00 C +ATOM 324 CA ARG A 324 655.406 650.596 646.893 1.00 0.00 C +ATOM 325 CA SER A 325 654.929 647.861 644.283 1.00 0.00 C +ATOM 326 CA PRO A 326 655.556 649.198 640.770 1.00 0.00 C +ATOM 327 CA SER A 327 657.804 647.174 638.454 1.00 0.00 C +ATOM 328 CA LYS A 328 661.258 647.277 636.849 1.00 0.00 C +ATOM 329 CA GLU A 329 662.926 643.892 636.319 1.00 0.00 C +ATOM 330 CA LYS A 330 665.650 641.791 637.957 1.00 0.00 C +ATOM 331 CA TYR A 331 665.093 638.084 638.637 1.00 0.00 C +ATOM 332 CA HIS A 332 667.778 635.757 640.014 1.00 0.00 C +ATOM 333 CA GLY A 333 668.223 634.183 643.455 1.00 0.00 C +ATOM 334 CA ARG A 334 666.888 634.468 647.012 1.00 0.00 C +ATOM 335 CA LEU A 335 664.444 637.363 647.412 1.00 0.00 C +ATOM 336 CA GLY A 336 662.279 638.298 644.420 1.00 0.00 C +ATOM 337 CA SER A 337 659.964 635.504 643.260 1.00 0.00 C +ATOM 338 CA LEU A 338 659.124 632.557 640.995 1.00 0.00 C +ATOM 339 CA ASN A 339 662.240 631.579 639.035 1.00 0.00 C +ATOM 340 CA LYS A 340 663.510 628.137 638.005 1.00 0.00 C +ATOM 341 CA GLU A 341 665.473 626.035 635.506 1.00 0.00 C +ATOM 342 CA ARG A 342 664.882 627.451 632.019 1.00 0.00 C +ATOM 343 CA ASP A 343 664.611 630.799 630.221 1.00 0.00 C +ATOM 344 CA HIS A 344 663.977 632.174 626.725 1.00 0.00 C +ATOM 345 CA SER A 345 665.966 633.889 623.964 1.00 0.00 C +ATOM 346 CA GLN A 346 666.894 634.867 620.400 1.00 0.00 C +ATOM 347 CA SER A 347 668.944 632.458 618.276 1.00 0.00 C +ATOM 348 CA ARG A 348 667.965 628.786 618.542 1.00 0.00 C +ATOM 349 CA SER A 349 668.815 626.579 621.530 1.00 0.00 C +ATOM 350 CA PRO A 350 672.320 626.370 623.008 1.00 0.00 C +ATOM 351 CA SER A 351 672.697 628.490 626.151 1.00 0.00 C +ATOM 352 CA LYS A 352 674.199 631.828 627.210 1.00 0.00 C +ATOM 353 CA GLU A 353 675.979 631.680 630.575 1.00 0.00 C +ATOM 354 CA LYS A 354 677.144 631.044 634.146 1.00 0.00 C +ATOM 355 CA GLU A 355 676.002 627.505 634.974 1.00 0.00 C +ATOM 356 CA HIS A 356 678.772 624.889 634.976 1.00 0.00 C +ATOM 357 CA ARG A 357 680.619 621.625 635.648 1.00 0.00 C +ATOM 358 CA GLN A 358 681.877 618.260 636.916 1.00 0.00 C +ATOM 359 CA SER A 359 679.108 615.790 637.782 1.00 0.00 C +ATOM 360 CA ARG A 360 678.325 613.660 640.843 1.00 0.00 C +ATOM 361 CA SER A 361 676.936 612.295 644.117 1.00 0.00 C +ATOM 362 CA PRO A 362 673.773 610.172 644.050 1.00 0.00 C +ATOM 363 CA SER A 363 670.066 611.045 643.978 1.00 0.00 C +ATOM 364 CA LYS A 364 667.267 613.535 644.675 1.00 0.00 C +ATOM 365 CA GLU A 365 665.101 615.053 641.932 1.00 0.00 C +ATOM 366 CA ARG A 366 663.075 617.340 639.656 1.00 0.00 C +ATOM 367 CA ASP A 367 660.298 617.406 637.049 1.00 0.00 C +ATOM 368 CA CYS A 368 656.916 617.679 635.316 1.00 0.00 C +ATOM 369 CA ARG A 369 655.577 615.787 632.292 1.00 0.00 C +ATOM 370 CA ARG A 370 653.482 615.236 629.158 1.00 0.00 C +ATOM 371 CA TRP A 371 654.744 613.678 625.918 1.00 0.00 C +ATOM 372 CA ARG A 372 653.976 613.788 622.188 1.00 0.00 C +ATOM 373 CA SER A 373 651.068 613.442 619.751 1.00 0.00 C +ATOM 374 CA PRO A 374 647.581 613.872 618.277 1.00 0.00 C +ATOM 375 CA SER A 375 646.085 612.650 614.993 1.00 0.00 C +ATOM 376 CA LYS A 376 644.127 612.286 611.745 1.00 0.00 C +ATOM 377 CA GLU A 377 646.365 611.433 608.782 1.00 0.00 C +ATOM 378 CA ARG A 378 650.135 611.280 608.250 1.00 0.00 C +ATOM 379 CA GLU A 379 653.624 610.944 609.742 1.00 0.00 C +ATOM 380 CA ARG A 380 655.890 613.086 611.933 1.00 0.00 C +ATOM 381 CA ARG A 381 654.127 615.194 614.572 1.00 0.00 C +ATOM 382 CA GLN A 382 655.403 618.620 615.645 1.00 0.00 C +ATOM 383 CA SER A 383 656.607 619.980 618.994 1.00 0.00 C +ATOM 384 CA ARG A 384 653.536 619.901 621.248 1.00 0.00 C +ATOM 385 CA SER A 385 651.395 620.956 624.218 1.00 0.00 C +ATOM 386 CA PRO A 386 651.857 621.782 627.908 1.00 0.00 C +ATOM 387 CA SER A 387 655.603 622.178 628.479 1.00 0.00 C +ATOM 388 CA GLU A 388 658.727 621.088 630.369 1.00 0.00 C +ATOM 389 CA GLU A 389 661.596 623.035 628.789 1.00 0.00 C +ATOM 390 CA LYS A 390 660.482 626.170 626.933 1.00 0.00 C +ATOM 391 CA GLU A 391 657.259 628.166 626.551 1.00 0.00 C +ATOM 392 CA HIS A 392 655.863 631.277 628.249 1.00 0.00 C +ATOM 393 CA ARG A 393 654.356 631.857 631.700 1.00 0.00 C +ATOM 394 CA GLN A 394 651.709 634.535 632.282 1.00 0.00 C +ATOM 395 CA SER A 395 648.671 633.383 634.271 1.00 0.00 C +ATOM 396 CA ARG A 396 648.062 630.891 637.088 1.00 0.00 C +ATOM 397 CA SER A 397 645.843 628.087 638.404 1.00 0.00 C +ATOM 398 CA PRO A 398 645.456 625.747 641.386 1.00 0.00 C +ATOM 399 CA SER A 399 645.171 624.295 644.897 1.00 0.00 C +ATOM 400 CA LYS A 400 647.119 624.909 648.113 1.00 0.00 C +ATOM 401 CA GLU A 401 649.729 623.587 650.554 1.00 0.00 C +ATOM 402 CA ARG A 402 653.343 622.428 650.882 1.00 0.00 C +ATOM 403 CA ASP A 403 657.047 621.674 650.404 1.00 0.00 C +ATOM 404 CA HIS A 404 659.629 620.912 653.101 1.00 0.00 C +ATOM 405 CA ARG A 405 661.272 621.765 656.431 1.00 0.00 C +ATOM 406 CA ARG A 406 664.822 620.755 657.375 1.00 0.00 C +ATOM 407 CA TRP A 407 667.070 623.778 656.811 1.00 0.00 C +ATOM 408 CA ARG A 408 669.196 626.232 654.817 1.00 0.00 C +ATOM 409 CA SER A 409 669.694 627.351 651.209 1.00 0.00 C +ATOM 410 CA PRO A 410 668.676 626.278 647.697 1.00 0.00 C +ATOM 411 CA SER A 411 669.056 622.496 647.428 1.00 0.00 C +ATOM 412 CA LYS A 412 666.492 619.701 647.786 1.00 0.00 C +ATOM 413 CA GLU A 413 663.274 621.158 646.360 1.00 0.00 C +ATOM 414 CA ARG A 414 660.005 621.729 644.487 1.00 0.00 C +ATOM 415 CA GLU A 415 656.706 621.412 642.607 1.00 0.00 C +ATOM 416 CA CYS A 416 653.164 622.806 642.768 1.00 0.00 C +ATOM 417 CA ARG A 417 650.006 620.913 641.789 1.00 0.00 C +ATOM 418 CA GLN A 418 650.307 617.122 641.559 1.00 0.00 C +ATOM 419 CA SER A 419 651.690 613.900 643.049 1.00 0.00 C +ATOM 420 CA ARG A 420 653.362 610.623 642.057 1.00 0.00 C +ATOM 421 CA SER A 421 656.265 608.534 643.370 1.00 0.00 C +ATOM 422 CA PRO A 422 659.287 608.965 645.650 1.00 0.00 C +ATOM 423 CA SER A 423 662.066 606.359 645.733 1.00 0.00 C +ATOM 424 CA GLU A 424 665.767 605.983 646.553 1.00 0.00 C +ATOM 425 CA GLU A 425 666.892 606.624 650.137 1.00 0.00 C +ATOM 426 CA LYS A 426 670.645 606.084 650.511 1.00 0.00 C +ATOM 427 CA GLU A 427 674.150 605.152 649.345 1.00 0.00 C +ATOM 428 CA HIS A 428 676.570 602.303 648.610 1.00 0.00 C +ATOM 429 CA ARG A 429 679.286 600.109 650.136 1.00 0.00 C +ATOM 430 CA GLN A 430 678.392 596.661 651.486 1.00 0.00 C +ATOM 431 CA SER A 431 675.974 594.447 649.545 1.00 0.00 C +ATOM 432 CA ARG A 432 674.529 591.364 651.255 1.00 0.00 C +ATOM 433 CA SER A 433 676.336 588.095 650.506 1.00 0.00 C +ATOM 434 CA PRO A 434 675.866 584.925 652.567 1.00 0.00 C +ATOM 435 CA SER A 435 679.281 583.970 653.962 1.00 0.00 C +ATOM 436 CA GLU A 436 678.836 583.658 657.733 1.00 0.00 C +ATOM 437 CA GLU A 437 680.694 581.697 660.420 1.00 0.00 C +ATOM 438 CA ARG A 438 679.853 581.459 664.129 1.00 0.00 C +ATOM 439 CA ASP A 439 683.162 580.853 665.919 1.00 0.00 C +ATOM 440 CA HIS A 440 682.635 578.377 668.766 1.00 0.00 C +ATOM 441 CA SER A 441 684.435 579.084 672.048 1.00 0.00 C +ATOM 442 CA ARG A 442 685.006 578.152 675.698 1.00 0.00 C +ATOM 443 CA SER A 443 681.825 576.700 677.211 1.00 0.00 C +ATOM 444 CA ARG A 444 679.016 574.441 675.978 1.00 0.00 C +ATOM 445 CA SER A 445 675.586 575.657 674.851 1.00 0.00 C +ATOM 446 CA PRO A 446 673.078 573.487 672.975 1.00 0.00 C +ATOM 447 CA SER A 447 669.427 572.438 672.686 1.00 0.00 C +ATOM 448 CA ARG A 448 666.839 575.169 673.284 1.00 0.00 C +ATOM 449 CA GLN A 449 666.858 576.658 676.791 1.00 0.00 C +ATOM 450 CA SER A 450 670.067 577.074 678.803 1.00 0.00 C +ATOM 451 CA GLY A 451 671.950 580.146 680.044 1.00 0.00 C +ATOM 452 CA TYR A 452 670.143 581.434 683.141 1.00 0.00 C +ATOM 453 CA ARG A 453 667.074 583.639 683.630 1.00 0.00 C +ATOM 454 CA GLN A 454 666.129 586.910 685.339 1.00 0.00 C +ATOM 455 CA PRO A 455 664.434 589.879 687.021 1.00 0.00 C +ATOM 456 CA ARG A 456 662.064 592.475 688.490 1.00 0.00 C +ATOM 457 CA ALA A 457 661.193 596.060 687.536 1.00 0.00 C +ATOM 458 CA SER A 458 664.107 598.498 687.813 1.00 0.00 C +ATOM 459 CA SER A 459 667.630 599.263 686.578 1.00 0.00 C +ATOM 460 CA LYS A 460 671.361 598.853 685.928 1.00 0.00 C +ATOM 461 CA GLU A 461 674.908 599.251 684.594 1.00 0.00 C +ATOM 462 CA LYS A 462 678.124 598.721 686.566 1.00 0.00 C +ATOM 463 CA ALA A 463 678.968 601.135 689.390 1.00 0.00 C +ATOM 464 CA HIS A 464 679.876 601.086 693.090 1.00 0.00 C +ATOM 465 CA SER A 465 683.043 599.187 694.026 1.00 0.00 C +ATOM 466 CA ARG A 466 685.862 599.197 696.590 1.00 0.00 C +ATOM 467 CA SER A 467 687.591 602.424 697.647 1.00 0.00 C +ATOM 468 CA ARG A 468 687.935 605.640 695.634 1.00 0.00 C +ATOM 469 CA THR A 469 689.693 608.984 695.146 1.00 0.00 C +ATOM 470 CA PRO A 470 690.571 612.685 695.366 1.00 0.00 C +ATOM 471 CA SER A 471 689.612 614.247 698.706 1.00 0.00 C +ATOM 472 CA LYS A 472 692.574 616.337 699.878 1.00 0.00 C +ATOM 473 CA GLU A 473 692.104 619.020 702.542 1.00 0.00 C +ATOM 474 CA GLY A 474 689.072 620.959 703.794 1.00 0.00 C +ATOM 475 CA ASN A 475 685.379 620.115 704.195 1.00 0.00 C +ATOM 476 CA HIS A 476 683.263 617.259 705.567 1.00 0.00 C +ATOM 477 CA SER A 477 683.018 616.057 709.174 1.00 0.00 C +ATOM 478 CA GLN A 478 683.349 612.720 710.983 1.00 0.00 C +ATOM 479 CA SER A 479 682.460 609.221 712.202 1.00 0.00 C +ATOM 480 CA ARG A 480 682.765 605.714 713.659 1.00 0.00 C +ATOM 481 CA THR A 481 685.089 605.585 716.676 1.00 0.00 C +ATOM 482 CA SER A 482 685.585 608.049 719.539 1.00 0.00 C +ATOM 483 CA SER A 483 684.196 610.779 721.804 1.00 0.00 C +ATOM 484 CA LYS A 484 681.809 612.164 724.431 1.00 0.00 C +ATOM 485 CA GLU A 485 683.103 611.191 727.880 1.00 0.00 C +ATOM 486 CA ARG A 486 680.573 611.874 730.645 1.00 0.00 C +ATOM 487 CA ASP A 487 679.092 613.058 733.950 1.00 0.00 C +ATOM 488 CA PRO A 488 676.679 612.192 736.768 1.00 0.00 C +ATOM 489 CA SER A 489 677.942 610.376 739.870 1.00 0.00 C +ATOM 490 CA GLN A 490 680.937 610.208 742.220 1.00 0.00 C +ATOM 491 CA SER A 491 682.736 613.549 742.559 1.00 0.00 C +ATOM 492 CA THR A 492 681.152 615.852 739.969 1.00 0.00 C +ATOM 493 CA VAL A 493 680.465 619.170 741.712 1.00 0.00 C +ATOM 494 CA PRO A 494 681.062 622.912 742.109 1.00 0.00 C +ATOM 495 CA ARG A 495 678.796 625.174 744.174 1.00 0.00 C +ATOM 496 CA SER A 496 676.495 627.620 742.375 1.00 0.00 C +ATOM 497 CA PRO A 497 677.651 628.909 738.981 1.00 0.00 C +ATOM 498 CA ASP A 498 680.726 630.877 737.892 1.00 0.00 C +ATOM 499 CA TRP A 499 681.343 634.387 736.545 1.00 0.00 C +ATOM 500 CA LYS A 500 680.411 636.325 733.400 1.00 0.00 C +ATOM 501 CA ARG A 501 680.843 636.411 729.615 1.00 0.00 C +ATOM 502 CA SER A 502 680.708 635.943 725.836 1.00 0.00 C +ATOM 503 CA PRO A 503 680.692 639.370 724.173 1.00 0.00 C +ATOM 504 CA THR A 504 680.221 642.440 726.381 1.00 0.00 C +ATOM 505 CA ARG A 505 681.607 645.692 727.800 1.00 0.00 C +ATOM 506 CA THR A 506 684.444 648.101 726.982 1.00 0.00 C +ATOM 507 CA ARG A 507 685.032 651.847 726.612 1.00 0.00 C +ATOM 508 CA SER A 508 688.006 654.227 726.693 1.00 0.00 C +ATOM 509 CA LEU A 509 690.934 656.629 726.282 1.00 0.00 C +ATOM 510 CA SER A 510 690.854 660.273 727.390 1.00 0.00 C +ATOM 511 CA GLN A 511 687.513 662.103 727.336 1.00 0.00 C +ATOM 512 CA ASN A 512 684.113 662.296 725.628 1.00 0.00 C +ATOM 513 CA ARG A 513 684.681 661.649 721.916 1.00 0.00 C +ATOM 514 CA THR A 514 684.288 663.063 718.400 1.00 0.00 C +ATOM 515 CA PRO A 515 681.111 664.438 716.808 1.00 0.00 C +ATOM 516 CA SER A 516 681.902 666.225 713.538 1.00 0.00 C +ATOM 517 CA LYS A 517 683.873 669.486 713.524 1.00 0.00 C +ATOM 518 CA THR A 518 683.741 671.132 710.090 1.00 0.00 C +ATOM 519 CA SER A 519 681.690 669.673 707.230 1.00 0.00 C +ATOM 520 CA SER A 520 678.467 667.683 707.642 1.00 0.00 C +ATOM 521 CA HIS A 521 677.226 666.535 704.228 1.00 0.00 C +ATOM 522 CA CYS A 522 677.118 665.866 700.479 1.00 0.00 C +ATOM 523 CA PRO A 523 676.082 668.368 697.798 1.00 0.00 C +ATOM 524 CA SER A 524 677.780 667.572 694.482 1.00 0.00 C +ATOM 525 CA THR A 525 679.112 670.831 693.025 1.00 0.00 C +ATOM 526 CA PHE A 526 682.596 670.071 691.684 1.00 0.00 C +ATOM 527 CA PRO A 527 684.357 673.123 690.233 1.00 0.00 C +ATOM 528 CA ASN A 528 685.861 676.509 689.348 1.00 0.00 C +ATOM 529 CA GLY A 529 685.093 677.520 685.755 1.00 0.00 C +ATOM 530 CA GLY A 530 685.565 676.476 682.121 1.00 0.00 C +ATOM 531 CA GLN A 531 688.104 674.140 680.507 1.00 0.00 C +ATOM 532 CA THR A 532 686.182 670.897 679.956 1.00 0.00 C +ATOM 533 CA LEU A 533 683.051 669.453 678.334 1.00 0.00 C +ATOM 534 CA SER A 534 680.920 668.731 675.259 1.00 0.00 C +ATOM 535 CA GLN A 535 677.237 667.779 675.056 1.00 0.00 C +ATOM 536 CA ASP A 536 674.001 667.906 677.064 1.00 0.00 C +ATOM 537 CA ASP A 537 672.095 671.104 676.254 1.00 0.00 C +ATOM 538 CA SER A 538 670.640 671.129 672.733 1.00 0.00 C +ATOM 539 CA GLN A 539 671.694 674.413 671.113 1.00 0.00 C +ATOM 540 CA ALA A 540 672.360 677.960 669.892 1.00 0.00 C +ATOM 541 CA ASN A 541 670.125 680.094 667.665 1.00 0.00 C +ATOM 542 CA ALA A 542 667.179 681.825 669.352 1.00 0.00 C +ATOM 543 CA THR A 543 663.979 681.497 667.310 1.00 0.00 C +ATOM 544 CA THR A 544 660.754 683.494 666.958 1.00 0.00 C +ATOM 545 CA SER A 545 659.350 684.390 663.532 1.00 0.00 C +ATOM 546 CA LYS A 546 655.869 683.785 662.107 1.00 0.00 C +ATOM 547 CA ALA A 547 653.243 682.462 664.530 1.00 0.00 C +ATOM 548 CA THR A 548 650.985 685.318 665.653 1.00 0.00 C +ATOM 549 CA LEU A 549 648.148 687.784 665.032 1.00 0.00 C +ATOM 550 CA PRO A 550 645.047 689.939 664.524 1.00 0.00 C +ATOM 551 CA GLY A 551 646.337 693.258 663.169 1.00 0.00 C +ATOM 552 CA GLU A 552 650.056 693.962 662.737 1.00 0.00 C +ATOM 553 CA ARG A 553 652.069 690.964 661.519 1.00 0.00 C +ATOM 554 CA SER A 554 652.895 689.165 658.265 1.00 0.00 C +ATOM 555 CA SER A 555 656.129 690.210 656.542 1.00 0.00 C +ATOM 556 CA SER A 556 657.725 691.246 653.241 1.00 0.00 C +ATOM 557 CA SER A 557 659.974 693.938 651.755 1.00 0.00 C +ATOM 558 CA SER A 558 662.096 693.905 648.590 1.00 0.00 C +ATOM 559 CA SER A 559 663.897 695.150 645.472 1.00 0.00 C +ATOM 560 CA LYS A 560 661.569 695.571 642.485 1.00 0.00 C +ATOM 561 CA LEU A 561 662.353 698.103 639.748 1.00 0.00 C +ATOM 562 CA ALA A 562 665.200 700.608 639.381 1.00 0.00 C +TER 563 ALA A 562 +END diff --git a/Mammals/Q4R903/Q4R903.dcd b/Mammals/Q4R903/Q4R903.dcd new file mode 100644 index 0000000000000000000000000000000000000000..2d5a2fd22a2206c724e0cba1793384f982bda5ca --- /dev/null +++ b/Mammals/Q4R903/Q4R903.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dc427bdf8b2457ebded919a4dd398ee06c27d6b66a9d9ab0881fd57ed9bced3c +size 12920276 diff --git a/Mammals/Q4R903/top.pdb b/Mammals/Q4R903/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..670d36e0919e707383bfb00419bfb3d435054335 --- /dev/null +++ b/Mammals/Q4R903/top.pdb @@ -0,0 +1,105 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 233.549 199.822 206.957 1.00 0.00 C +ATOM 2 CA VAL A 2 234.665 197.029 204.618 1.00 0.00 C +ATOM 3 CA TYR A 3 238.468 196.904 204.823 1.00 0.00 C +ATOM 4 CA SER A 4 240.547 199.747 203.371 1.00 0.00 C +ATOM 5 CA GLU A 5 244.179 200.650 202.655 1.00 0.00 C +ATOM 6 CA VAL A 6 246.087 199.534 205.758 1.00 0.00 C +ATOM 7 CA PRO A 7 247.027 202.671 207.704 1.00 0.00 C +ATOM 8 CA ASN A 8 244.709 205.684 207.447 1.00 0.00 C +ATOM 9 CA PHE A 9 245.462 208.101 204.600 1.00 0.00 C +ATOM 10 CA SER A 10 247.508 211.207 203.771 1.00 0.00 C +ATOM 11 CA GLU A 11 248.255 213.713 201.000 1.00 0.00 C +ATOM 12 CA PRO A 12 247.136 217.325 200.528 1.00 0.00 C +ATOM 13 CA ASN A 13 245.053 218.464 203.508 1.00 0.00 C +ATOM 14 CA PRO A 14 243.649 216.161 206.199 1.00 0.00 C +ATOM 15 CA ASP A 15 241.085 217.785 208.502 1.00 0.00 C +ATOM 16 CA TYR A 16 240.197 219.711 211.666 1.00 0.00 C +ATOM 17 CA ARG A 17 242.244 222.737 212.747 1.00 0.00 C +ATOM 18 CA GLY A 18 243.339 225.122 215.509 1.00 0.00 C +ATOM 19 CA GLN A 19 246.054 223.209 217.377 1.00 0.00 C +ATOM 20 CA GLN A 20 248.107 224.538 220.298 1.00 0.00 C +ATOM 21 CA ASN A 21 248.941 222.075 223.083 1.00 0.00 C +ATOM 22 CA LYS A 22 251.752 222.875 225.528 1.00 0.00 C +ATOM 23 CA GLY A 23 255.391 223.032 226.645 1.00 0.00 C +ATOM 24 CA ALA A 24 258.569 225.126 226.811 1.00 0.00 C +ATOM 25 CA GLN A 25 259.535 227.923 229.210 1.00 0.00 C +ATOM 26 CA SER A 26 261.335 231.278 229.059 1.00 0.00 C +ATOM 27 CA GLU A 27 263.547 231.501 232.153 1.00 0.00 C +ATOM 28 CA GLN A 28 263.566 231.735 235.956 1.00 0.00 C +ATOM 29 CA LYS A 29 262.486 234.409 238.446 1.00 0.00 C +ATOM 30 CA ASN A 30 263.490 238.070 238.773 1.00 0.00 C +ATOM 31 CA ASN A 31 263.218 241.746 239.733 1.00 0.00 C +ATOM 32 CA SER A 32 264.643 245.279 239.648 1.00 0.00 C +ATOM 33 CA THR A 33 268.449 245.132 239.746 1.00 0.00 C +ATOM 34 CA ASN A 34 270.904 242.691 238.156 1.00 0.00 C +ATOM 35 CA ASN A 35 274.407 241.634 237.094 1.00 0.00 C +ATOM 36 CA ASN A 36 276.937 243.848 235.301 1.00 0.00 C +ATOM 37 CA MET A 37 280.153 244.727 237.145 1.00 0.00 C +ATOM 38 CA GLY A 38 279.656 246.091 240.667 1.00 0.00 C +ATOM 39 CA THR A 39 279.268 243.900 243.760 1.00 0.00 C +ATOM 40 CA GLY A 40 280.791 245.682 246.764 1.00 0.00 C +ATOM 41 CA THR A 41 280.269 249.235 248.037 1.00 0.00 C +ATOM 42 CA PHE A 42 278.572 250.035 251.353 1.00 0.00 C +ATOM 43 CA GLY A 43 278.289 252.214 254.466 1.00 0.00 C +ATOM 44 CA PRO A 44 276.211 255.245 255.471 1.00 0.00 C +ATOM 45 CA VAL A 45 276.711 256.114 259.147 1.00 0.00 C +ATOM 46 CA GLY A 46 280.371 257.094 259.551 1.00 0.00 C +ATOM 47 CA ASN A 47 280.793 260.636 260.890 1.00 0.00 C +ATOM 48 CA GLY A 48 281.828 263.403 258.484 1.00 0.00 C +ATOM 49 CA VAL A 49 279.184 266.140 258.670 1.00 0.00 C +ATOM 50 CA TYR A 50 277.845 266.883 255.181 1.00 0.00 C +ATOM 51 CA THR A 51 278.856 266.944 251.508 1.00 0.00 C +ATOM 52 CA GLY A 52 279.357 265.987 247.855 1.00 0.00 C +ATOM 53 CA PRO A 53 277.457 266.762 244.645 1.00 0.00 C +ATOM 54 CA GLU A 54 274.619 269.076 245.699 1.00 0.00 C +ATOM 55 CA SER A 55 272.582 272.263 246.157 1.00 0.00 C +ATOM 56 CA ARG A 56 268.925 272.926 246.995 1.00 0.00 C +ATOM 57 CA GLY A 57 265.295 272.289 246.028 1.00 0.00 C +ATOM 58 CA HIS A 58 262.175 273.863 247.546 1.00 0.00 C +ATOM 59 CA GLN A 59 261.454 277.027 245.549 1.00 0.00 C +ATOM 60 CA PHE A 60 257.770 277.996 245.466 1.00 0.00 C +ATOM 61 CA SER A 61 254.563 278.722 247.390 1.00 0.00 C +ATOM 62 CA HIS A 62 255.452 277.924 251.008 1.00 0.00 C +ATOM 63 CA ALA A 63 256.317 274.438 252.280 1.00 0.00 C +ATOM 64 CA GLY A 64 254.717 272.170 254.890 1.00 0.00 C +ATOM 65 CA ARG A 65 256.422 269.229 256.609 1.00 0.00 C +ATOM 66 CA SER A 66 257.674 266.827 259.289 1.00 0.00 C +ATOM 67 CA ASN A 67 256.939 264.490 262.207 1.00 0.00 C +ATOM 68 CA GLY A 68 256.406 262.723 265.540 1.00 0.00 C +ATOM 69 CA ARG A 69 253.794 260.371 267.009 1.00 0.00 C +ATOM 70 CA GLY A 70 254.389 258.191 270.076 1.00 0.00 C +ATOM 71 CA PRO A 71 253.285 259.286 273.554 1.00 0.00 C +ATOM 72 CA ILE A 72 250.722 258.946 276.352 1.00 0.00 C +ATOM 73 CA ASN A 73 250.192 258.495 280.098 1.00 0.00 C +ATOM 74 CA PRO A 74 246.472 257.807 280.554 1.00 0.00 C +ATOM 75 CA ARG A 75 244.534 261.065 280.172 1.00 0.00 C +ATOM 76 CA LEU A 76 242.514 261.345 283.391 1.00 0.00 C +ATOM 77 CA GLN A 77 239.600 260.133 285.526 1.00 0.00 C +ATOM 78 CA GLY A 78 237.246 262.921 286.622 1.00 0.00 C +ATOM 79 CA THR A 79 233.583 262.628 287.628 1.00 0.00 C +ATOM 80 CA ALA A 80 230.702 265.065 288.160 1.00 0.00 C +ATOM 81 CA SER A 81 227.901 265.127 290.741 1.00 0.00 C +ATOM 82 CA ASN A 82 227.355 267.685 293.511 1.00 0.00 C +ATOM 83 CA GLN A 83 223.714 268.329 294.432 1.00 0.00 C +ATOM 84 CA THR A 84 220.253 269.279 295.710 1.00 0.00 C +ATOM 85 CA VAL A 85 217.613 271.906 296.513 1.00 0.00 C +ATOM 86 CA MET A 86 214.402 270.148 297.569 1.00 0.00 C +ATOM 87 CA THR A 87 212.092 269.836 294.555 1.00 0.00 C +ATOM 88 CA THR A 88 212.654 268.867 290.914 1.00 0.00 C +ATOM 89 CA ILE A 89 210.258 267.104 288.534 1.00 0.00 C +ATOM 90 CA SER A 90 208.690 268.828 285.520 1.00 0.00 C +ATOM 91 CA ASN A 91 211.508 269.775 283.137 1.00 0.00 C +ATOM 92 CA GLY A 92 214.338 269.010 280.704 1.00 0.00 C +ATOM 93 CA ARG A 93 217.876 270.199 279.939 1.00 0.00 C +ATOM 94 CA ASP A 94 220.056 273.319 279.758 1.00 0.00 C +ATOM 95 CA PRO A 95 221.443 276.228 277.726 1.00 0.00 C +ATOM 96 CA ARG A 96 222.166 279.968 277.638 1.00 0.00 C +ATOM 97 CA ARG A 97 222.194 281.335 274.082 1.00 0.00 C +ATOM 98 CA ALA A 98 222.608 280.124 270.493 1.00 0.00 C +ATOM 99 CA PHE A 99 221.481 277.254 268.255 1.00 0.00 C +ATOM 100 CA LYS A 100 217.810 276.730 269.133 1.00 0.00 C +ATOM 101 CA ARG A 101 215.146 275.173 271.368 1.00 0.00 C +TER 102 ARG A 101 +END diff --git a/Mammals/Q4R935/Q4R935.dcd b/Mammals/Q4R935/Q4R935.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a1a9a67a75954c2e6bdc4febfe63cd3433e21a21 --- /dev/null +++ b/Mammals/Q4R935/Q4R935.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f9fe622936eab07c50fa451bfa360286b7d4162fb00292030c89951c6c450444 +size 85360276 diff --git a/Mammals/Q4R935/top.pdb b/Mammals/Q4R935/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3c39fc83db4defe5ddfad30aecc39f65066d7b34 --- /dev/null +++ b/Mammals/Q4R935/top.pdb @@ -0,0 +1,353 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 890.000 890.000 890.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 485.531 440.737 451.983 1.00 0.00 C +ATOM 2 CA ASP A 2 485.222 441.425 448.248 1.00 0.00 C +ATOM 3 CA ARG A 3 485.095 441.967 444.479 1.00 0.00 C +ATOM 4 CA TYR A 4 483.939 445.537 443.818 1.00 0.00 C +ATOM 5 CA GLY A 5 485.117 448.973 442.669 1.00 0.00 C +ATOM 6 CA GLY A 6 488.911 449.319 442.609 1.00 0.00 C +ATOM 7 CA ARG A 7 490.670 447.091 440.068 1.00 0.00 C +ATOM 8 CA ASP A 8 494.410 446.826 440.741 1.00 0.00 C +ATOM 9 CA ARG A 9 496.633 447.453 443.772 1.00 0.00 C +ATOM 10 CA TYR A 10 498.412 449.985 445.994 1.00 0.00 C +ATOM 11 CA ASP A 11 501.166 452.293 444.727 1.00 0.00 C +ATOM 12 CA ASP A 12 504.431 452.227 442.764 1.00 0.00 C +ATOM 13 CA ARG A 13 506.435 450.784 439.863 1.00 0.00 C +ATOM 14 CA GLY A 14 505.791 450.508 436.118 1.00 0.00 C +ATOM 15 CA SER A 15 505.347 453.088 433.351 1.00 0.00 C +ATOM 16 CA ARG A 16 506.122 451.192 430.138 1.00 0.00 C +ATOM 17 CA ASP A 17 505.408 447.518 430.850 1.00 0.00 C +ATOM 18 CA TYR A 18 505.193 445.760 427.477 1.00 0.00 C +ATOM 19 CA ASP A 19 506.959 447.429 424.542 1.00 0.00 C +ATOM 20 CA ARG A 20 509.374 445.570 422.255 1.00 0.00 C +ATOM 21 CA GLY A 21 510.315 441.883 422.056 1.00 0.00 C +ATOM 22 CA TYR A 22 509.125 439.512 419.321 1.00 0.00 C +ATOM 23 CA ASP A 23 508.966 435.959 420.686 1.00 0.00 C +ATOM 24 CA SER A 24 506.799 433.245 419.119 1.00 0.00 C +ATOM 25 CA ARG A 25 506.149 432.500 415.440 1.00 0.00 C +ATOM 26 CA ILE A 26 507.089 428.935 414.476 1.00 0.00 C +ATOM 27 CA GLY A 27 509.899 429.347 411.936 1.00 0.00 C +ATOM 28 CA SER A 28 512.008 431.109 409.298 1.00 0.00 C +ATOM 29 CA GLY A 29 513.450 432.779 406.191 1.00 0.00 C +ATOM 30 CA ARG A 30 511.663 435.147 403.800 1.00 0.00 C +ATOM 31 CA ARG A 31 512.353 438.443 402.018 1.00 0.00 C +ATOM 32 CA ALA A 32 513.099 441.115 404.630 1.00 0.00 C +ATOM 33 CA PHE A 33 516.158 443.386 404.626 1.00 0.00 C +ATOM 34 CA GLY A 34 515.284 446.227 402.243 1.00 0.00 C +ATOM 35 CA SER A 35 514.774 449.315 404.416 1.00 0.00 C +ATOM 36 CA GLY A 36 518.151 450.463 405.754 1.00 0.00 C +ATOM 37 CA TYR A 37 517.482 452.136 409.111 1.00 0.00 C +ATOM 38 CA ARG A 38 515.118 454.897 410.255 1.00 0.00 C +ATOM 39 CA ARG A 39 513.439 453.445 413.351 1.00 0.00 C +ATOM 40 CA ASP A 40 514.549 450.286 415.169 1.00 0.00 C +ATOM 41 CA ASP A 41 515.593 447.478 412.814 1.00 0.00 C +ATOM 42 CA ASP A 42 517.530 444.361 411.790 1.00 0.00 C +ATOM 43 CA TYR A 43 518.584 440.750 411.189 1.00 0.00 C +ATOM 44 CA ARG A 44 520.352 440.472 407.825 1.00 0.00 C +ATOM 45 CA GLY A 45 522.193 441.685 404.718 1.00 0.00 C +ATOM 46 CA GLY A 46 523.940 438.907 402.782 1.00 0.00 C +ATOM 47 CA GLY A 47 524.089 435.114 403.114 1.00 0.00 C +ATOM 48 CA ASP A 48 521.977 432.217 404.404 1.00 0.00 C +ATOM 49 CA ARG A 49 519.353 433.879 406.610 1.00 0.00 C +ATOM 50 CA TYR A 50 518.702 434.688 410.276 1.00 0.00 C +ATOM 51 CA GLU A 51 517.636 433.762 413.815 1.00 0.00 C +ATOM 52 CA ASP A 52 519.135 435.615 416.788 1.00 0.00 C +ATOM 53 CA ARG A 53 518.396 438.318 419.369 1.00 0.00 C +ATOM 54 CA TYR A 54 518.781 441.275 421.741 1.00 0.00 C +ATOM 55 CA ASP A 55 518.723 440.709 425.508 1.00 0.00 C +ATOM 56 CA ARG A 56 517.578 437.906 427.820 1.00 0.00 C +ATOM 57 CA ARG A 57 517.559 434.313 429.089 1.00 0.00 C +ATOM 58 CA ASP A 58 515.032 431.463 429.132 1.00 0.00 C +ATOM 59 CA ASP A 59 511.813 432.741 430.720 1.00 0.00 C +ATOM 60 CA ARG A 60 512.123 433.651 434.407 1.00 0.00 C +ATOM 61 CA SER A 61 510.210 436.773 435.458 1.00 0.00 C +ATOM 62 CA TRP A 62 506.831 438.531 435.352 1.00 0.00 C +ATOM 63 CA SER A 63 504.975 440.652 432.789 1.00 0.00 C +ATOM 64 CA SER A 64 501.251 441.450 432.663 1.00 0.00 C +ATOM 65 CA ARG A 65 498.190 439.520 431.474 1.00 0.00 C +ATOM 66 CA ASP A 66 499.051 437.455 428.390 1.00 0.00 C +ATOM 67 CA ASP A 67 499.435 433.967 426.907 1.00 0.00 C +ATOM 68 CA TYR A 68 501.952 431.521 425.422 1.00 0.00 C +ATOM 69 CA SER A 69 500.619 430.696 421.949 1.00 0.00 C +ATOM 70 CA ARG A 70 500.579 433.872 419.845 1.00 0.00 C +ATOM 71 CA ASP A 71 499.956 435.367 416.397 1.00 0.00 C +ATOM 72 CA ASP A 72 502.390 437.063 414.005 1.00 0.00 C +ATOM 73 CA TYR A 73 503.502 439.908 411.728 1.00 0.00 C +ATOM 74 CA ARG A 74 500.609 442.382 411.560 1.00 0.00 C +ATOM 75 CA ARG A 75 498.074 442.192 414.398 1.00 0.00 C +ATOM 76 CA ASP A 76 498.619 443.233 418.023 1.00 0.00 C +ATOM 77 CA ASP A 77 501.929 443.867 419.800 1.00 0.00 C +ATOM 78 CA ARG A 78 502.883 447.499 419.154 1.00 0.00 C +ATOM 79 CA GLY A 79 502.317 448.327 415.478 1.00 0.00 C +ATOM 80 CA PRO A 80 501.736 451.205 413.050 1.00 0.00 C +ATOM 81 CA PRO A 81 500.050 449.843 409.916 1.00 0.00 C +ATOM 82 CA GLN A 82 496.427 449.276 408.882 1.00 0.00 C +ATOM 83 CA ARG A 83 492.804 448.699 407.855 1.00 0.00 C +ATOM 84 CA PRO A 84 490.238 451.088 409.346 1.00 0.00 C +ATOM 85 CA LYS A 85 487.529 451.514 406.701 1.00 0.00 C +ATOM 86 CA LEU A 86 484.950 449.974 404.358 1.00 0.00 C +ATOM 87 CA ASN A 87 483.297 447.987 401.559 1.00 0.00 C +ATOM 88 CA LEU A 88 485.597 447.280 398.605 1.00 0.00 C +ATOM 89 CA LYS A 89 488.401 448.318 396.244 1.00 0.00 C +ATOM 90 CA PRO A 90 489.107 452.020 396.806 1.00 0.00 C +ATOM 91 CA ARG A 91 492.666 452.242 398.149 1.00 0.00 C +ATOM 92 CA SER A 92 495.548 454.041 396.426 1.00 0.00 C +ATOM 93 CA THR A 93 495.408 453.365 392.679 1.00 0.00 C +ATOM 94 CA PRO A 94 495.443 456.811 391.054 1.00 0.00 C +ATOM 95 CA LYS A 95 495.903 460.450 390.023 1.00 0.00 C +ATOM 96 CA GLU A 96 494.809 462.730 392.872 1.00 0.00 C +ATOM 97 CA ASP A 97 493.755 463.989 396.311 1.00 0.00 C +ATOM 98 CA ASP A 98 494.546 467.336 397.951 1.00 0.00 C +ATOM 99 CA SER A 99 493.951 469.524 401.013 1.00 0.00 C +ATOM 100 CA SER A 100 495.853 471.846 403.360 1.00 0.00 C +ATOM 101 CA ALA A 101 496.914 470.565 406.788 1.00 0.00 C +ATOM 102 CA SER A 102 497.510 466.846 407.362 1.00 0.00 C +ATOM 103 CA THR A 103 500.466 464.576 406.574 1.00 0.00 C +ATOM 104 CA SER A 104 501.659 461.875 408.981 1.00 0.00 C +ATOM 105 CA GLN A 105 504.188 460.674 411.566 1.00 0.00 C +ATOM 106 CA SER A 106 507.183 462.763 412.653 1.00 0.00 C +ATOM 107 CA SER A 107 509.983 462.447 410.089 1.00 0.00 C +ATOM 108 CA ARG A 108 509.920 464.896 407.171 1.00 0.00 C +ATOM 109 CA ALA A 109 506.478 465.687 405.742 1.00 0.00 C +ATOM 110 CA ALA A 110 505.418 464.490 402.283 1.00 0.00 C +ATOM 111 CA SER A 111 503.151 461.428 402.204 1.00 0.00 C +ATOM 112 CA ILE A 112 502.002 459.367 399.213 1.00 0.00 C +ATOM 113 CA PHE A 113 503.981 456.122 399.482 1.00 0.00 C +ATOM 114 CA GLY A 114 507.132 454.127 400.256 1.00 0.00 C +ATOM 115 CA GLY A 115 506.296 451.452 402.837 1.00 0.00 C +ATOM 116 CA ALA A 116 506.271 447.713 402.104 1.00 0.00 C +ATOM 117 CA LYS A 117 507.838 444.671 400.430 1.00 0.00 C +ATOM 118 CA PRO A 118 505.566 443.000 397.868 1.00 0.00 C +ATOM 119 CA VAL A 119 505.185 444.908 394.592 1.00 0.00 C +ATOM 120 CA ASP A 120 502.860 444.570 391.592 1.00 0.00 C +ATOM 121 CA THR A 121 501.079 443.137 388.545 1.00 0.00 C +ATOM 122 CA ALA A 122 498.342 440.505 388.857 1.00 0.00 C +ATOM 123 CA ALA A 123 495.570 439.973 391.417 1.00 0.00 C +ATOM 124 CA ARG A 124 495.552 442.783 393.990 1.00 0.00 C +ATOM 125 CA GLU A 125 494.288 443.422 397.527 1.00 0.00 C +ATOM 126 CA ARG A 126 493.189 443.063 401.157 1.00 0.00 C +ATOM 127 CA GLU A 127 491.683 440.547 403.590 1.00 0.00 C +ATOM 128 CA VAL A 128 489.349 438.092 401.845 1.00 0.00 C +ATOM 129 CA GLU A 129 487.240 439.370 398.941 1.00 0.00 C +ATOM 130 CA GLU A 130 483.487 438.973 398.416 1.00 0.00 C +ATOM 131 CA ARG A 131 481.155 437.315 395.901 1.00 0.00 C +ATOM 132 CA LEU A 132 478.308 435.903 398.004 1.00 0.00 C +ATOM 133 CA GLN A 133 476.591 437.277 401.115 1.00 0.00 C +ATOM 134 CA LYS A 134 474.880 436.078 404.301 1.00 0.00 C +ATOM 135 CA GLU A 135 471.692 435.752 406.363 1.00 0.00 C +ATOM 136 CA GLN A 136 472.176 437.793 409.543 1.00 0.00 C +ATOM 137 CA GLU A 137 473.155 441.285 408.374 1.00 0.00 C +ATOM 138 CA LYS A 138 473.087 441.978 404.628 1.00 0.00 C +ATOM 139 CA LEU A 139 475.481 444.276 402.755 1.00 0.00 C +ATOM 140 CA GLN A 140 475.573 447.928 401.672 1.00 0.00 C +ATOM 141 CA ARG A 141 472.477 450.027 402.397 1.00 0.00 C +ATOM 142 CA GLN A 142 469.017 450.616 400.915 1.00 0.00 C +ATOM 143 CA LEU A 143 468.416 449.790 397.245 1.00 0.00 C +ATOM 144 CA ASP A 144 470.654 451.506 394.683 1.00 0.00 C +ATOM 145 CA GLU A 145 471.753 448.776 392.263 1.00 0.00 C +ATOM 146 CA PRO A 146 474.036 448.646 389.215 1.00 0.00 C +ATOM 147 CA LYS A 147 473.146 450.328 385.914 1.00 0.00 C +ATOM 148 CA LEU A 148 472.517 454.071 385.582 1.00 0.00 C +ATOM 149 CA GLU A 149 470.005 456.640 384.316 1.00 0.00 C +ATOM 150 CA ARG A 150 469.329 460.312 385.075 1.00 0.00 C +ATOM 151 CA ARG A 151 470.843 461.056 388.491 1.00 0.00 C +ATOM 152 CA PRO A 152 471.268 461.110 392.277 1.00 0.00 C +ATOM 153 CA ARG A 153 471.668 463.217 395.426 1.00 0.00 C +ATOM 154 CA GLU A 154 471.950 464.982 398.791 1.00 0.00 C +ATOM 155 CA ARG A 155 469.441 464.044 401.500 1.00 0.00 C +ATOM 156 CA HIS A 156 467.458 465.009 404.607 1.00 0.00 C +ATOM 157 CA PRO A 157 465.124 462.770 406.621 1.00 0.00 C +ATOM 158 CA SER A 158 463.495 460.138 408.842 1.00 0.00 C +ATOM 159 CA TRP A 159 462.520 459.981 412.522 1.00 0.00 C +ATOM 160 CA ARG A 160 463.498 460.146 416.200 1.00 0.00 C +ATOM 161 CA SER A 161 460.412 458.903 418.057 1.00 0.00 C +ATOM 162 CA GLU A 162 458.448 460.514 420.896 1.00 0.00 C +ATOM 163 CA GLU A 163 457.970 457.819 423.547 1.00 0.00 C +ATOM 164 CA THR A 164 455.020 455.580 424.442 1.00 0.00 C +ATOM 165 CA GLN A 165 452.015 456.926 426.359 1.00 0.00 C +ATOM 166 CA GLU A 166 452.464 459.770 428.853 1.00 0.00 C +ATOM 167 CA ARG A 167 452.100 462.188 431.775 1.00 0.00 C +ATOM 168 CA GLU A 168 453.560 462.178 435.294 1.00 0.00 C +ATOM 169 CA ARG A 169 451.095 460.297 437.508 1.00 0.00 C +ATOM 170 CA SER A 170 448.903 457.186 437.697 1.00 0.00 C +ATOM 171 CA ARG A 171 445.674 456.135 439.424 1.00 0.00 C +ATOM 172 CA THR A 172 446.366 453.942 442.462 1.00 0.00 C +ATOM 173 CA GLY A 173 445.482 450.427 443.634 1.00 0.00 C +ATOM 174 CA SER A 174 448.239 448.145 442.326 1.00 0.00 C +ATOM 175 CA GLU A 175 450.555 447.843 439.316 1.00 0.00 C +ATOM 176 CA SER A 176 452.732 450.969 439.239 1.00 0.00 C +ATOM 177 CA SER A 177 456.304 449.893 440.012 1.00 0.00 C +ATOM 178 CA GLN A 178 459.811 449.511 441.452 1.00 0.00 C +ATOM 179 CA THR A 179 463.029 451.532 441.728 1.00 0.00 C +ATOM 180 CA GLY A 180 465.903 453.418 440.084 1.00 0.00 C +ATOM 181 CA THR A 181 464.552 456.031 437.663 1.00 0.00 C +ATOM 182 CA SER A 182 461.922 454.490 435.377 1.00 0.00 C +ATOM 183 CA ALA A 183 460.384 452.375 432.606 1.00 0.00 C +ATOM 184 CA THR A 184 459.703 453.030 428.916 1.00 0.00 C +ATOM 185 CA SER A 185 461.209 450.180 426.884 1.00 0.00 C +ATOM 186 CA GLY A 186 459.960 450.514 423.299 1.00 0.00 C +ATOM 187 CA ARG A 187 457.359 450.861 420.538 1.00 0.00 C +ATOM 188 CA ASN A 188 457.073 451.069 416.744 1.00 0.00 C +ATOM 189 CA ALA A 189 455.959 454.628 415.966 1.00 0.00 C +ATOM 190 CA ARG A 190 453.970 457.878 416.010 1.00 0.00 C +ATOM 191 CA ARG A 191 451.217 460.360 416.892 1.00 0.00 C +ATOM 192 CA ARG A 192 448.684 460.341 419.738 1.00 0.00 C +ATOM 193 CA GLU A 193 445.407 462.146 420.460 1.00 0.00 C +ATOM 194 CA SER A 194 442.923 463.048 423.204 1.00 0.00 C +ATOM 195 CA GLU A 195 443.666 465.710 425.826 1.00 0.00 C +ATOM 196 CA LYS A 196 442.376 467.447 428.962 1.00 0.00 C +ATOM 197 CA SER A 197 439.789 466.878 431.700 1.00 0.00 C +ATOM 198 CA LEU A 198 440.537 463.752 433.746 1.00 0.00 C +ATOM 199 CA GLU A 199 441.106 463.368 437.494 1.00 0.00 C +ATOM 200 CA ASN A 200 441.837 461.766 440.872 1.00 0.00 C +ATOM 201 CA GLU A 201 441.533 458.729 443.154 1.00 0.00 C +ATOM 202 CA THR A 202 443.460 457.899 446.334 1.00 0.00 C +ATOM 203 CA LEU A 203 441.030 457.675 449.260 1.00 0.00 C +ATOM 204 CA ASN A 204 438.772 454.728 450.118 1.00 0.00 C +ATOM 205 CA LYS A 205 438.867 451.923 447.540 1.00 0.00 C +ATOM 206 CA GLU A 206 439.531 448.283 446.635 1.00 0.00 C +ATOM 207 CA GLU A 207 438.078 444.765 446.803 1.00 0.00 C +ATOM 208 CA ASP A 208 434.339 445.043 447.479 1.00 0.00 C +ATOM 209 CA CYS A 209 432.683 441.803 446.350 1.00 0.00 C +ATOM 210 CA HIS A 210 430.403 439.995 448.811 1.00 0.00 C +ATOM 211 CA SER A 211 431.546 440.346 452.428 1.00 0.00 C +ATOM 212 CA PRO A 212 430.764 443.262 454.752 1.00 0.00 C +ATOM 213 CA THR A 213 428.233 446.051 454.175 1.00 0.00 C +ATOM 214 CA SER A 214 425.175 448.062 453.117 1.00 0.00 C +ATOM 215 CA LYS A 215 424.936 451.028 455.496 1.00 0.00 C +ATOM 216 CA PRO A 216 426.233 451.730 459.010 1.00 0.00 C +ATOM 217 CA PRO A 217 427.355 453.621 462.121 1.00 0.00 C +ATOM 218 CA LYS A 218 426.604 457.270 462.916 1.00 0.00 C +ATOM 219 CA PRO A 219 425.517 459.525 465.789 1.00 0.00 C +ATOM 220 CA ASP A 220 428.596 460.921 467.544 1.00 0.00 C +ATOM 221 CA GLN A 221 430.836 463.974 467.119 1.00 0.00 C +ATOM 222 CA PRO A 222 432.863 466.562 465.192 1.00 0.00 C +ATOM 223 CA LEU A 223 436.227 466.473 463.405 1.00 0.00 C +ATOM 224 CA LYS A 224 435.934 468.496 460.189 1.00 0.00 C +ATOM 225 CA VAL A 225 433.684 470.620 457.967 1.00 0.00 C +ATOM 226 CA MET A 226 430.328 472.418 458.108 1.00 0.00 C +ATOM 227 CA PRO A 227 429.629 475.926 459.419 1.00 0.00 C +ATOM 228 CA ALA A 228 426.080 476.579 460.642 1.00 0.00 C +ATOM 229 CA PRO A 229 424.811 475.025 463.881 1.00 0.00 C +ATOM 230 CA PRO A 230 423.577 472.759 466.684 1.00 0.00 C +ATOM 231 CA PRO A 231 421.116 474.919 468.631 1.00 0.00 C +ATOM 232 CA LYS A 232 420.086 477.996 466.633 1.00 0.00 C +ATOM 233 CA GLU A 233 416.618 479.265 465.695 1.00 0.00 C +ATOM 234 CA ASN A 234 413.027 478.861 466.901 1.00 0.00 C +ATOM 235 CA ALA A 235 409.456 479.307 465.649 1.00 0.00 C +ATOM 236 CA TRP A 236 405.842 479.956 464.633 1.00 0.00 C +ATOM 237 CA VAL A 237 403.658 476.881 465.171 1.00 0.00 C +ATOM 238 CA LYS A 238 402.731 473.672 467.004 1.00 0.00 C +ATOM 239 CA ARG A 239 399.125 472.440 467.016 1.00 0.00 C +ATOM 240 CA SER A 240 397.393 469.167 466.122 1.00 0.00 C +ATOM 241 CA SER A 241 397.783 466.653 463.286 1.00 0.00 C +ATOM 242 CA ASN A 242 395.529 465.009 460.692 1.00 0.00 C +ATOM 243 CA PRO A 243 393.839 461.946 462.203 1.00 0.00 C +ATOM 244 CA PRO A 244 390.545 463.025 463.785 1.00 0.00 C +ATOM 245 CA ALA A 245 389.747 463.175 467.507 1.00 0.00 C +ATOM 246 CA ARG A 246 386.181 463.337 468.838 1.00 0.00 C +ATOM 247 CA SER A 247 382.473 464.092 468.397 1.00 0.00 C +ATOM 248 CA GLN A 248 379.718 466.706 468.711 1.00 0.00 C +ATOM 249 CA SER A 249 376.686 464.790 469.996 1.00 0.00 C +ATOM 250 CA SER A 250 375.090 462.088 467.836 1.00 0.00 C +ATOM 251 CA ASP A 251 371.697 463.093 466.424 1.00 0.00 C +ATOM 252 CA THR A 252 368.346 464.632 467.383 1.00 0.00 C +ATOM 253 CA GLU A 253 365.026 463.028 468.342 1.00 0.00 C +ATOM 254 CA GLN A 254 363.410 464.872 471.258 1.00 0.00 C +ATOM 255 CA GLN A 255 360.670 465.831 473.725 1.00 0.00 C +ATOM 256 CA SER A 256 360.987 465.683 477.519 1.00 0.00 C +ATOM 257 CA PRO A 257 363.107 467.068 480.365 1.00 0.00 C +ATOM 258 CA THR A 258 365.511 467.799 483.229 1.00 0.00 C +ATOM 259 CA SER A 259 367.841 468.400 486.183 1.00 0.00 C +ATOM 260 CA GLY A 260 369.059 467.280 489.615 1.00 0.00 C +ATOM 261 CA GLY A 261 369.777 463.546 489.850 1.00 0.00 C +ATOM 262 CA GLY A 262 370.451 460.232 488.095 1.00 0.00 C +ATOM 263 CA LYS A 263 372.266 458.926 485.011 1.00 0.00 C +ATOM 264 CA VAL A 264 374.239 457.976 481.892 1.00 0.00 C +ATOM 265 CA ALA A 265 375.358 454.334 481.843 1.00 0.00 C +ATOM 266 CA PRO A 266 374.107 451.061 483.339 1.00 0.00 C +ATOM 267 CA ALA A 267 376.229 448.467 485.151 1.00 0.00 C +ATOM 268 CA GLN A 268 376.227 445.514 487.559 1.00 0.00 C +ATOM 269 CA PRO A 269 375.360 446.257 491.194 1.00 0.00 C +ATOM 270 CA SER A 270 378.505 445.883 493.312 1.00 0.00 C +ATOM 271 CA GLU A 271 379.192 448.841 495.613 1.00 0.00 C +ATOM 272 CA GLU A 272 379.531 451.834 497.947 1.00 0.00 C +ATOM 273 CA GLY A 273 379.442 453.628 501.307 1.00 0.00 C +ATOM 274 CA PRO A 274 382.280 454.165 503.791 1.00 0.00 C +ATOM 275 CA ALA A 275 381.597 451.851 506.741 1.00 0.00 C +ATOM 276 CA ARG A 276 379.855 448.467 506.913 1.00 0.00 C +ATOM 277 CA LYS A 277 380.364 445.046 505.316 1.00 0.00 C +ATOM 278 CA ASP A 278 378.253 441.989 506.160 1.00 0.00 C +ATOM 279 CA GLU A 279 375.190 440.783 508.078 1.00 0.00 C +ATOM 280 CA ASN A 280 374.215 437.389 506.647 1.00 0.00 C +ATOM 281 CA LYS A 281 372.253 434.133 506.894 1.00 0.00 C +ATOM 282 CA VAL A 282 370.675 431.512 504.623 1.00 0.00 C +ATOM 283 CA ASP A 283 367.628 429.567 503.420 1.00 0.00 C +ATOM 284 CA GLY A 284 364.593 427.323 503.937 1.00 0.00 C +ATOM 285 CA MET A 285 361.134 427.664 502.377 1.00 0.00 C +ATOM 286 CA ASN A 286 359.724 425.815 499.359 1.00 0.00 C +ATOM 287 CA VAL A 287 356.123 424.713 498.782 1.00 0.00 C +ATOM 288 CA PRO A 288 353.415 427.381 499.042 1.00 0.00 C +ATOM 289 CA LYS A 289 350.093 427.143 500.892 1.00 0.00 C +ATOM 290 CA GLY A 290 346.702 428.881 500.845 1.00 0.00 C +ATOM 291 CA GLN A 291 347.313 432.639 500.708 1.00 0.00 C +ATOM 292 CA THR A 292 349.069 434.887 498.183 1.00 0.00 C +ATOM 293 CA GLY A 293 351.975 436.835 499.692 1.00 0.00 C +ATOM 294 CA THR A 294 352.543 435.236 503.104 1.00 0.00 C +ATOM 295 CA SER A 295 355.398 432.738 503.456 1.00 0.00 C +ATOM 296 CA SER A 296 358.289 432.912 505.930 1.00 0.00 C +ATOM 297 CA ARG A 297 359.477 435.511 508.451 1.00 0.00 C +ATOM 298 CA GLY A 298 361.853 437.382 510.769 1.00 0.00 C +ATOM 299 CA PRO A 299 363.805 439.436 513.315 1.00 0.00 C +ATOM 300 CA GLY A 300 367.032 438.794 515.236 1.00 0.00 C +ATOM 301 CA ASP A 301 369.068 436.259 513.251 1.00 0.00 C +ATOM 302 CA GLY A 302 368.321 433.024 511.382 1.00 0.00 C +ATOM 303 CA GLY A 303 370.004 429.743 510.422 1.00 0.00 C +ATOM 304 CA ASN A 304 368.657 426.307 511.369 1.00 0.00 C +ATOM 305 CA LYS A 305 367.470 422.896 510.154 1.00 0.00 C +ATOM 306 CA ASP A 306 369.480 421.074 507.480 1.00 0.00 C +ATOM 307 CA HIS A 307 368.463 417.540 506.482 1.00 0.00 C +ATOM 308 CA TRP A 308 366.354 414.888 504.739 1.00 0.00 C +ATOM 309 CA LYS A 309 367.669 411.885 502.798 1.00 0.00 C +ATOM 310 CA GLU A 310 365.076 409.103 502.562 1.00 0.00 C +ATOM 311 CA SER A 311 363.782 405.898 504.164 1.00 0.00 C +ATOM 312 CA ASP A 312 362.757 406.659 507.754 1.00 0.00 C +ATOM 313 CA ARG A 313 364.999 409.278 509.375 1.00 0.00 C +ATOM 314 CA LYS A 314 367.314 407.505 511.826 1.00 0.00 C +ATOM 315 CA ASP A 315 369.528 408.583 514.733 1.00 0.00 C +ATOM 316 CA GLY A 316 369.112 412.163 515.968 1.00 0.00 C +ATOM 317 CA LYS A 317 371.250 413.030 519.001 1.00 0.00 C +ATOM 318 CA LYS A 318 374.629 413.268 520.743 1.00 0.00 C +ATOM 319 CA ASP A 319 377.435 415.136 518.966 1.00 0.00 C +ATOM 320 CA GLN A 320 380.681 417.108 518.676 1.00 0.00 C +ATOM 321 CA ASP A 321 380.432 420.892 518.305 1.00 0.00 C +ATOM 322 CA SER A 322 380.955 421.542 514.588 1.00 0.00 C +ATOM 323 CA ARG A 323 377.615 420.739 512.940 1.00 0.00 C +ATOM 324 CA SER A 324 376.194 420.419 509.420 1.00 0.00 C +ATOM 325 CA ALA A 325 376.462 417.677 506.788 1.00 0.00 C +ATOM 326 CA PRO A 326 375.466 414.324 508.299 1.00 0.00 C +ATOM 327 CA GLU A 327 374.749 410.951 506.680 1.00 0.00 C +ATOM 328 CA PRO A 328 371.704 408.695 507.077 1.00 0.00 C +ATOM 329 CA LYS A 329 371.440 404.896 506.974 1.00 0.00 C +ATOM 330 CA LYS A 330 374.804 403.108 507.014 1.00 0.00 C +ATOM 331 CA PRO A 331 376.891 400.043 507.890 1.00 0.00 C +ATOM 332 CA GLU A 332 379.086 397.671 505.872 1.00 0.00 C +ATOM 333 CA GLU A 333 380.410 398.530 502.405 1.00 0.00 C +ATOM 334 CA ASN A 334 380.544 398.635 498.598 1.00 0.00 C +ATOM 335 CA PRO A 335 377.998 397.279 496.109 1.00 0.00 C +ATOM 336 CA ALA A 336 374.472 398.143 494.954 1.00 0.00 C +ATOM 337 CA SER A 337 371.724 397.305 492.450 1.00 0.00 C +ATOM 338 CA ARG A 338 371.836 395.501 489.096 1.00 0.00 C +ATOM 339 CA ALA A 339 372.983 392.691 486.793 1.00 0.00 C +ATOM 340 CA ASN A 340 372.697 391.456 483.201 1.00 0.00 C +ATOM 341 CA GLN A 341 374.112 394.201 480.970 1.00 0.00 C +ATOM 342 CA ASN A 342 377.231 396.017 479.749 1.00 0.00 C +ATOM 343 CA LEU A 343 377.182 398.115 476.569 1.00 0.00 C +ATOM 344 CA TYR A 344 376.738 401.547 474.976 1.00 0.00 C +ATOM 345 CA PRO A 345 379.810 403.689 475.681 1.00 0.00 C +ATOM 346 CA ASP A 346 381.914 406.864 475.588 1.00 0.00 C +ATOM 347 CA LYS A 347 382.499 410.041 473.569 1.00 0.00 C +ATOM 348 CA THR A 348 384.145 411.007 470.272 1.00 0.00 C +ATOM 349 CA LYS A 349 386.680 413.753 469.529 1.00 0.00 C +TER 350 LYS A 349 +END diff --git a/Mammals/Q4R982/Q4R982.dcd b/Mammals/Q4R982/Q4R982.dcd new file mode 100644 index 0000000000000000000000000000000000000000..89761422edb1b8d9eb046a60ae011a87260c79a4 --- /dev/null +++ b/Mammals/Q4R982/Q4R982.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:27c0f74fbbf9392844b35623ed4726fc6f441224705932ae3b7106fa254d30dc +size 18560276 diff --git a/Mammals/Q4R982/top.pdb b/Mammals/Q4R982/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..25134daa501720fab7c52198afe541a11b6982bc --- /dev/null +++ b/Mammals/Q4R982/top.pdb @@ -0,0 +1,152 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 243.240 239.599 321.579 1.00 0.00 C +ATOM 2 CA ALA A 2 242.883 240.924 325.133 1.00 0.00 C +ATOM 3 CA SER A 3 244.821 239.832 328.226 1.00 0.00 C +ATOM 4 CA PRO A 4 244.707 239.375 332.007 1.00 0.00 C +ATOM 5 CA ALA A 5 242.868 237.987 335.041 1.00 0.00 C +ATOM 6 CA ALA A 6 239.358 236.713 334.286 1.00 0.00 C +ATOM 7 CA GLY A 7 235.787 237.850 334.973 1.00 0.00 C +ATOM 8 CA CYS A 8 232.192 238.768 334.107 1.00 0.00 C +ATOM 9 CA GLY A 9 230.511 235.524 333.025 1.00 0.00 C +ATOM 10 CA LEU A 10 227.463 233.815 331.506 1.00 0.00 C +ATOM 11 CA ARG A 11 223.960 233.542 330.033 1.00 0.00 C +ATOM 12 CA ALA A 12 220.984 233.680 332.408 1.00 0.00 C +ATOM 13 CA SER A 13 219.328 230.852 334.353 1.00 0.00 C +ATOM 14 CA HIS A 14 215.608 230.854 333.532 1.00 0.00 C +ATOM 15 CA ARG A 15 212.977 231.583 330.874 1.00 0.00 C +ATOM 16 CA VAL A 16 212.785 233.784 327.770 1.00 0.00 C +ATOM 17 CA ALA A 17 214.395 232.834 324.451 1.00 0.00 C +ATOM 18 CA PRO A 18 212.086 232.907 321.421 1.00 0.00 C +ATOM 19 CA ARG A 19 212.769 233.575 317.732 1.00 0.00 C +ATOM 20 CA TRP A 20 210.822 231.374 315.307 1.00 0.00 C +ATOM 21 CA SER A 21 212.218 228.824 312.844 1.00 0.00 C +ATOM 22 CA ALA A 22 213.505 226.177 310.425 1.00 0.00 C +ATOM 23 CA GLU A 23 213.331 224.873 306.849 1.00 0.00 C +ATOM 24 CA THR A 24 213.608 222.318 304.037 1.00 0.00 C +ATOM 25 CA PRO A 25 210.627 220.520 302.488 1.00 0.00 C +ATOM 26 CA ARG A 26 211.258 217.470 300.292 1.00 0.00 C +ATOM 27 CA ARG A 27 213.321 218.664 297.320 1.00 0.00 C +ATOM 28 CA ILE A 28 214.733 221.020 294.679 1.00 0.00 C +ATOM 29 CA THR A 29 214.693 223.017 291.435 1.00 0.00 C +ATOM 30 CA THR A 30 213.308 226.502 290.759 1.00 0.00 C +ATOM 31 CA ARG A 31 210.757 227.626 288.162 1.00 0.00 C +ATOM 32 CA ALA A 32 208.642 229.159 285.389 1.00 0.00 C +ATOM 33 CA VAL A 33 208.572 229.397 281.587 1.00 0.00 C +ATOM 34 CA PRO A 34 211.461 229.669 279.117 1.00 0.00 C +ATOM 35 CA SER A 35 209.794 230.324 275.755 1.00 0.00 C +ATOM 36 CA PRO A 36 210.091 229.465 272.055 1.00 0.00 C +ATOM 37 CA PRO A 37 212.220 227.373 269.687 1.00 0.00 C +ATOM 38 CA THR A 38 215.384 227.818 267.612 1.00 0.00 C +ATOM 39 CA PRO A 39 217.600 230.895 267.988 1.00 0.00 C +ATOM 40 CA GLY A 40 217.825 231.770 271.689 1.00 0.00 C +ATOM 41 CA ALA A 41 215.743 232.368 274.823 1.00 0.00 C +ATOM 42 CA PRO A 42 215.514 234.713 277.818 1.00 0.00 C +ATOM 43 CA ARG A 43 218.382 237.219 277.717 1.00 0.00 C +ATOM 44 CA PRO A 44 219.117 240.402 279.677 1.00 0.00 C +ATOM 45 CA PRO A 45 222.488 241.704 278.470 1.00 0.00 C +ATOM 46 CA ALA A 46 224.881 243.744 280.621 1.00 0.00 C +ATOM 47 CA THR A 47 227.256 245.872 278.537 1.00 0.00 C +ATOM 48 CA PRO A 48 225.183 248.244 276.393 1.00 0.00 C +ATOM 49 CA SER A 49 225.313 247.106 272.759 1.00 0.00 C +ATOM 50 CA PRO A 50 223.189 249.335 270.515 1.00 0.00 C +ATOM 51 CA PRO A 51 219.432 249.969 270.512 1.00 0.00 C +ATOM 52 CA ARG A 52 217.986 253.391 271.359 1.00 0.00 C +ATOM 53 CA PRO A 53 214.430 253.329 269.993 1.00 0.00 C +ATOM 54 CA PRO A 54 212.710 250.496 271.872 1.00 0.00 C +ATOM 55 CA PRO A 55 212.483 246.861 270.756 1.00 0.00 C +ATOM 56 CA PRO A 56 215.440 245.733 268.635 1.00 0.00 C +ATOM 57 CA ARG A 57 217.020 246.841 265.350 1.00 0.00 C +ATOM 58 CA PRO A 58 216.997 249.617 262.740 1.00 0.00 C +ATOM 59 CA THR A 59 220.569 249.841 261.434 1.00 0.00 C +ATOM 60 CA THR A 60 223.525 248.668 263.532 1.00 0.00 C +ATOM 61 CA THR A 61 225.993 245.785 263.197 1.00 0.00 C +ATOM 62 CA MET A 62 229.803 245.768 263.272 1.00 0.00 C +ATOM 63 CA SER A 63 233.016 245.370 261.264 1.00 0.00 C +ATOM 64 CA LEU A 64 235.973 246.453 259.119 1.00 0.00 C +ATOM 65 CA PRO A 65 239.611 245.486 258.533 1.00 0.00 C +ATOM 66 CA PRO A 66 241.154 244.221 255.287 1.00 0.00 C +ATOM 67 CA ARG A 67 240.582 240.786 253.741 1.00 0.00 C +ATOM 68 CA GLY A 68 237.793 240.390 251.176 1.00 0.00 C +ATOM 69 CA ALA A 69 237.906 242.636 248.100 1.00 0.00 C +ATOM 70 CA ARG A 70 237.519 245.781 245.985 1.00 0.00 C +ATOM 71 CA ARG A 71 234.236 245.823 244.052 1.00 0.00 C +ATOM 72 CA ALA A 72 234.957 247.756 240.850 1.00 0.00 C +ATOM 73 CA ALA A 73 238.255 247.543 238.955 1.00 0.00 C +ATOM 74 CA ARG A 74 240.486 245.090 237.078 1.00 0.00 C +ATOM 75 CA ALA A 75 243.739 246.401 235.590 1.00 0.00 C +ATOM 76 CA ALA A 76 246.264 248.478 233.634 1.00 0.00 C +ATOM 77 CA ARG A 77 249.955 247.754 234.243 1.00 0.00 C +ATOM 78 CA GLY A 78 253.302 246.042 233.625 1.00 0.00 C +ATOM 79 CA ALA A 79 253.896 242.677 235.312 1.00 0.00 C +ATOM 80 CA SER A 80 253.817 240.820 238.638 1.00 0.00 C +ATOM 81 CA GLY A 81 256.158 237.820 238.817 1.00 0.00 C +ATOM 82 CA ALA A 82 259.605 237.030 240.235 1.00 0.00 C +ATOM 83 CA ALA A 83 261.943 239.973 239.610 1.00 0.00 C +ATOM 84 CA ARG A 84 263.228 242.153 236.762 1.00 0.00 C +ATOM 85 CA ALA A 85 264.085 242.444 233.061 1.00 0.00 C +ATOM 86 CA PRO A 86 265.955 243.386 229.878 1.00 0.00 C +ATOM 87 CA ALA A 87 266.238 241.508 226.576 1.00 0.00 C +ATOM 88 CA THR A 88 267.017 244.214 224.009 1.00 0.00 C +ATOM 89 CA ARG A 89 268.581 245.561 220.807 1.00 0.00 C +ATOM 90 CA ARG A 90 265.780 247.520 219.124 1.00 0.00 C +ATOM 91 CA ARG A 91 265.013 249.529 215.979 1.00 0.00 C +ATOM 92 CA MET A 92 267.816 251.463 214.270 1.00 0.00 C +ATOM 93 CA THR A 93 268.943 249.449 211.239 1.00 0.00 C +ATOM 94 CA GLY A 94 272.387 247.933 210.638 1.00 0.00 C +ATOM 95 CA SER A 95 273.684 245.166 208.363 1.00 0.00 C +ATOM 96 CA THR A 96 273.234 246.139 204.707 1.00 0.00 C +ATOM 97 CA ALA A 97 272.422 249.644 203.453 1.00 0.00 C +ATOM 98 CA ARG A 98 269.878 252.475 203.628 1.00 0.00 C +ATOM 99 CA ARG A 99 268.156 253.451 200.374 1.00 0.00 C +ATOM 100 CA SER A 100 265.307 255.884 201.068 1.00 0.00 C +ATOM 101 CA PRO A 101 263.538 258.951 199.660 1.00 0.00 C +ATOM 102 CA ARG A 102 261.403 261.710 201.191 1.00 0.00 C +ATOM 103 CA ILE A 103 257.890 260.730 202.292 1.00 0.00 C +ATOM 104 CA LEU A 104 254.941 258.317 202.275 1.00 0.00 C +ATOM 105 CA TRP A 105 252.851 259.172 205.344 1.00 0.00 C +ATOM 106 CA GLY A 106 251.031 259.458 208.679 1.00 0.00 C +ATOM 107 CA THR A 107 250.247 260.069 212.357 1.00 0.00 C +ATOM 108 CA ALA A 108 252.342 262.714 214.125 1.00 0.00 C +ATOM 109 CA GLY A 109 255.390 263.872 216.097 1.00 0.00 C +ATOM 110 CA MET A 110 257.625 266.957 216.119 1.00 0.00 C +ATOM 111 CA HIS A 111 258.229 269.022 212.974 1.00 0.00 C +ATOM 112 CA PRO A 112 259.977 271.374 210.540 1.00 0.00 C +ATOM 113 CA SER A 113 263.373 272.634 211.722 1.00 0.00 C +ATOM 114 CA THR A 114 266.499 270.458 211.650 1.00 0.00 C +ATOM 115 CA ARG A 115 267.491 269.341 208.145 1.00 0.00 C +ATOM 116 CA SER A 116 270.241 268.153 205.790 1.00 0.00 C +ATOM 117 CA ALA A 117 270.251 269.055 202.089 1.00 0.00 C +ATOM 118 CA SER A 118 272.917 268.465 199.431 1.00 0.00 C +ATOM 119 CA THR A 119 275.941 266.666 200.893 1.00 0.00 C +ATOM 120 CA SER A 120 279.584 266.032 199.977 1.00 0.00 C +ATOM 121 CA PRO A 121 282.191 268.591 198.894 1.00 0.00 C +ATOM 122 CA ARG A 122 282.430 271.879 200.804 1.00 0.00 C +ATOM 123 CA PRO A 123 279.314 272.724 202.826 1.00 0.00 C +ATOM 124 CA GLY A 124 277.764 271.686 206.148 1.00 0.00 C +ATOM 125 CA ARG A 125 279.427 273.240 209.203 1.00 0.00 C +ATOM 126 CA SER A 126 281.751 276.252 208.989 1.00 0.00 C +ATOM 127 CA PRO A 127 283.669 276.320 205.698 1.00 0.00 C +ATOM 128 CA ALA A 128 283.253 278.553 202.638 1.00 0.00 C +ATOM 129 CA THR A 129 284.065 282.117 201.563 1.00 0.00 C +ATOM 130 CA HIS A 130 285.596 282.844 198.151 1.00 0.00 C +ATOM 131 CA CYS A 131 289.054 281.265 197.897 1.00 0.00 C +ATOM 132 CA PRO A 132 290.226 279.720 201.177 1.00 0.00 C +ATOM 133 CA SER A 133 292.660 278.598 203.885 1.00 0.00 C +ATOM 134 CA LYS A 134 294.794 275.535 203.122 1.00 0.00 C +ATOM 135 CA ARG A 135 298.497 275.538 204.016 1.00 0.00 C +ATOM 136 CA ASP A 136 301.066 276.491 201.368 1.00 0.00 C +ATOM 137 CA ALA A 137 304.836 276.996 201.583 1.00 0.00 C +ATOM 138 CA PRO A 138 308.501 277.940 202.024 1.00 0.00 C +ATOM 139 CA LYS A 139 311.844 278.555 203.745 1.00 0.00 C +ATOM 140 CA SER A 140 314.922 277.856 205.879 1.00 0.00 C +ATOM 141 CA PRO A 141 318.481 276.536 206.208 1.00 0.00 C +ATOM 142 CA PRO A 142 319.977 275.596 209.583 1.00 0.00 C +ATOM 143 CA ARG A 143 321.895 274.759 212.767 1.00 0.00 C +ATOM 144 CA ALA A 144 324.971 272.518 212.597 1.00 0.00 C +ATOM 145 CA MET A 145 328.289 270.665 212.324 1.00 0.00 C +ATOM 146 CA THR A 146 331.751 271.943 213.272 1.00 0.00 C +ATOM 147 CA ARG A 147 332.459 275.667 212.888 1.00 0.00 C +ATOM 148 CA ARG A 148 330.720 278.957 213.705 1.00 0.00 C +TER 149 ARG A 148 +END diff --git a/Mammals/Q4TWA0/Q4TWA0.dcd b/Mammals/Q4TWA0/Q4TWA0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..aaa438eb6797b05d23bbd5a2817e47a9b5244f2a --- /dev/null +++ b/Mammals/Q4TWA0/Q4TWA0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d6576097e1dbb4a9f745622e41b2283e7a91106f00720832df65d08fd75e44e8 +size 9440276 diff --git a/Mammals/Q4TWA0/top.pdb b/Mammals/Q4TWA0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c3b20a7dfb931519808c4626538cb94a865ae09b --- /dev/null +++ b/Mammals/Q4TWA0/top.pdb @@ -0,0 +1,76 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ARG A 1 246.334 234.841 287.739 1.00 0.00 C +ATOM 2 CA ALA A 2 249.224 236.948 289.051 1.00 0.00 C +ATOM 3 CA ALA A 3 251.539 239.060 286.884 1.00 0.00 C +ATOM 4 CA PRO A 4 251.522 237.746 283.308 1.00 0.00 C +ATOM 5 CA TYR A 5 254.863 238.856 281.851 1.00 0.00 C +ATOM 6 CA ALA A 6 254.756 239.384 278.080 1.00 0.00 C +ATOM 7 CA MET A 7 254.728 238.503 274.373 1.00 0.00 C +ATOM 8 CA HIS A 8 253.581 235.084 273.144 1.00 0.00 C +ATOM 9 CA ARG A 9 255.608 231.876 272.795 1.00 0.00 C +ATOM 10 CA ARG A 10 257.449 229.242 270.749 1.00 0.00 C +ATOM 11 CA ARG A 11 256.023 226.828 268.169 1.00 0.00 C +ATOM 12 CA PRO A 12 252.238 226.763 267.739 1.00 0.00 C +ATOM 13 CA ARG A 13 249.734 223.897 267.553 1.00 0.00 C +ATOM 14 CA ARG A 14 246.400 223.303 269.299 1.00 0.00 C +ATOM 15 CA PRO A 15 243.376 224.931 267.648 1.00 0.00 C +ATOM 16 CA SER A 16 240.203 226.197 265.962 1.00 0.00 C +ATOM 17 CA GLY A 17 239.468 229.916 266.337 1.00 0.00 C +ATOM 18 CA PRO A 18 237.731 233.294 266.645 1.00 0.00 C +ATOM 19 CA GLY A 19 235.230 234.366 263.978 1.00 0.00 C +ATOM 20 CA PRO A 20 236.289 235.423 260.474 1.00 0.00 C +ATOM 21 CA PRO A 21 235.878 232.950 257.606 1.00 0.00 C +ATOM 22 CA PRO A 22 235.192 233.059 253.860 1.00 0.00 C +ATOM 23 CA PRO A 23 237.089 235.072 251.239 1.00 0.00 C +ATOM 24 CA GLU A 24 235.500 235.106 247.777 1.00 0.00 C +ATOM 25 CA ALA A 25 233.137 238.095 247.755 1.00 0.00 C +ATOM 26 CA VAL A 26 234.135 241.764 247.999 1.00 0.00 C +ATOM 27 CA GLU A 27 233.291 245.398 247.226 1.00 0.00 C +ATOM 28 CA THR A 28 231.650 248.624 246.034 1.00 0.00 C +ATOM 29 CA VAL A 29 234.524 250.755 244.725 1.00 0.00 C +ATOM 30 CA GLU A 30 233.761 254.095 243.059 1.00 0.00 C +ATOM 31 CA THR A 31 235.880 255.806 240.395 1.00 0.00 C +ATOM 32 CA PRO A 32 233.601 257.521 237.869 1.00 0.00 C +ATOM 33 CA GLU A 33 234.187 261.284 237.750 1.00 0.00 C +ATOM 34 CA ALA A 34 234.150 262.525 241.352 1.00 0.00 C +ATOM 35 CA PRO A 35 236.285 262.375 244.504 1.00 0.00 C +ATOM 36 CA GLU A 36 239.338 264.654 244.491 1.00 0.00 C +ATOM 37 CA ALA A 37 242.281 262.991 242.733 1.00 0.00 C +ATOM 38 CA ILE A 38 246.048 263.309 242.257 1.00 0.00 C +ATOM 39 CA PRO A 39 249.843 263.248 241.933 1.00 0.00 C +ATOM 40 CA THR A 40 251.740 260.203 240.649 1.00 0.00 C +ATOM 41 CA PRO A 41 255.466 259.615 241.183 1.00 0.00 C +ATOM 42 CA ASP A 42 257.938 262.450 240.579 1.00 0.00 C +ATOM 43 CA ALA A 43 260.783 261.472 238.240 1.00 0.00 C +ATOM 44 CA THR A 44 262.840 258.381 237.386 1.00 0.00 C +ATOM 45 CA PRO A 45 265.910 258.372 239.642 1.00 0.00 C +ATOM 46 CA ALA A 46 268.902 256.349 240.856 1.00 0.00 C +ATOM 47 CA GLU A 47 270.513 252.896 240.898 1.00 0.00 C +ATOM 48 CA PRO A 48 268.506 250.814 238.417 1.00 0.00 C +ATOM 49 CA ALA A 49 267.005 250.401 234.939 1.00 0.00 C +ATOM 50 CA LEU A 50 264.839 248.168 232.740 1.00 0.00 C +ATOM 51 CA PRO A 51 263.871 244.581 233.582 1.00 0.00 C +ATOM 52 CA ALA A 52 266.635 242.133 234.522 1.00 0.00 C +ATOM 53 CA SER A 53 267.006 240.435 237.913 1.00 0.00 C +ATOM 54 CA GLU A 54 265.807 242.919 240.541 1.00 0.00 C +ATOM 55 CA GLU A 55 263.366 245.621 241.663 1.00 0.00 C +ATOM 56 CA ARG A 56 262.883 249.126 243.076 1.00 0.00 C +ATOM 57 CA ARG A 57 259.473 249.682 244.681 1.00 0.00 C +ATOM 58 CA ALA A 58 257.663 253.034 244.754 1.00 0.00 C +ATOM 59 CA ARG A 59 256.001 255.996 246.481 1.00 0.00 C +ATOM 60 CA ILE A 60 256.245 259.353 248.267 1.00 0.00 C +ATOM 61 CA ALA A 61 254.591 262.513 246.926 1.00 0.00 C +ATOM 62 CA GLY A 62 253.005 265.430 248.794 1.00 0.00 C +ATOM 63 CA ARG A 63 253.905 269.115 248.437 1.00 0.00 C +ATOM 64 CA GLU A 64 252.978 270.053 244.862 1.00 0.00 C +ATOM 65 CA ARG A 65 252.774 272.302 241.794 1.00 0.00 C +ATOM 66 CA LYS A 66 252.996 274.752 238.884 1.00 0.00 C +ATOM 67 CA ALA A 67 252.717 276.579 235.553 1.00 0.00 C +ATOM 68 CA MET A 68 251.334 276.099 232.035 1.00 0.00 C +ATOM 69 CA ARG A 69 249.149 277.521 229.257 1.00 0.00 C +ATOM 70 CA VAL A 70 248.890 277.487 225.456 1.00 0.00 C +ATOM 71 CA LEU A 71 250.932 278.637 222.452 1.00 0.00 C +ATOM 72 CA PRO A 72 251.271 282.423 222.201 1.00 0.00 C +TER 73 PRO A 72 +END diff --git a/Mammals/Q4U106/Q4U106.dcd b/Mammals/Q4U106/Q4U106.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c3d0f1971bcd5b55963061a10629b48e986411bc --- /dev/null +++ b/Mammals/Q4U106/Q4U106.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ac4da0adc976dcefefd46306e57fe55c2c89c5610dc86dc1a1ef58ca11e65374 +size 5120276 diff --git a/Mammals/Q4U106/top.pdb b/Mammals/Q4U106/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8d3fab794481957dc74f90b833dacc8c16bea44a --- /dev/null +++ b/Mammals/Q4U106/top.pdb @@ -0,0 +1,40 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 271.069 239.668 261.926 1.00 0.00 C +ATOM 2 CA ASP A 2 269.522 236.222 261.426 1.00 0.00 C +ATOM 3 CA ASN A 3 266.897 233.508 260.916 1.00 0.00 C +ATOM 4 CA CYS A 4 266.898 231.475 257.694 1.00 0.00 C +ATOM 5 CA TYR A 5 266.454 233.312 254.385 1.00 0.00 C +ATOM 6 CA ASP A 6 263.424 235.044 252.858 1.00 0.00 C +ATOM 7 CA PRO A 7 260.698 237.603 252.125 1.00 0.00 C +ATOM 8 CA GLY A 8 257.669 239.860 251.626 1.00 0.00 C +ATOM 9 CA LEU A 9 258.844 243.484 251.634 1.00 0.00 C +ATOM 10 CA ASP A 10 257.563 246.458 253.641 1.00 0.00 C +ATOM 11 CA GLY A 11 254.927 246.105 256.369 1.00 0.00 C +ATOM 12 CA ILE A 12 253.782 246.420 259.990 1.00 0.00 C +ATOM 13 CA PRO A 13 252.720 244.390 263.034 1.00 0.00 C +ATOM 14 CA GLU A 14 250.257 241.844 264.436 1.00 0.00 C +ATOM 15 CA TYR A 15 247.468 239.766 262.879 1.00 0.00 C +ATOM 16 CA ASP A 16 245.266 240.792 259.944 1.00 0.00 C +ATOM 17 CA ASP A 17 246.909 240.945 256.510 1.00 0.00 C +ATOM 18 CA PHE A 18 249.250 242.476 253.923 1.00 0.00 C +ATOM 19 CA GLU A 19 249.435 246.146 252.920 1.00 0.00 C +ATOM 20 CA PHE A 20 248.005 247.363 249.604 1.00 0.00 C +ATOM 21 CA SER A 21 244.681 246.745 247.848 1.00 0.00 C +ATOM 22 CA PRO A 22 245.400 246.583 244.110 1.00 0.00 C +ATOM 23 CA SER A 23 244.327 249.756 242.294 1.00 0.00 C +ATOM 24 CA ILE A 24 242.099 252.271 244.090 1.00 0.00 C +ATOM 25 CA VAL A 25 241.298 252.376 247.814 1.00 0.00 C +ATOM 26 CA GLU A 26 239.594 255.742 248.342 1.00 0.00 C +ATOM 27 CA PRO A 27 241.250 259.045 249.272 1.00 0.00 C +ATOM 28 CA LYS A 28 240.678 262.544 247.876 1.00 0.00 C +ATOM 29 CA ASP A 29 242.675 263.137 244.686 1.00 0.00 C +ATOM 30 CA PRO A 30 241.428 265.623 242.082 1.00 0.00 C +ATOM 31 CA ALA A 31 238.617 267.284 240.119 1.00 0.00 C +ATOM 32 CA PRO A 32 238.840 270.774 238.608 1.00 0.00 C +ATOM 33 CA GLU A 33 241.310 272.207 236.085 1.00 0.00 C +ATOM 34 CA THR A 34 239.664 274.176 233.269 1.00 0.00 C +ATOM 35 CA GLY A 35 240.159 275.045 229.593 1.00 0.00 C +ATOM 36 CA GLN A 36 240.922 273.812 226.069 1.00 0.00 C +TER 37 GLN A 36 +END diff --git a/Mammals/Q4VB54/Q4VB54.dcd b/Mammals/Q4VB54/Q4VB54.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e60238da6cd2d009624245efbc78b09e4e7ec1ec --- /dev/null +++ b/Mammals/Q4VB54/Q4VB54.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ed69790eae408a9e7911821a58a659ef6d827aa5047934d76b2873d9cb2b25d4 +size 17360276 diff --git a/Mammals/Q4VB54/top.pdb b/Mammals/Q4VB54/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4219967f0c56b5dd2d6599f52c104e63ae94a0e4 --- /dev/null +++ b/Mammals/Q4VB54/top.pdb @@ -0,0 +1,142 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 240.025 198.464 219.973 1.00 0.00 C +ATOM 2 CA ASP A 2 243.745 198.323 219.161 1.00 0.00 C +ATOM 3 CA THR A 3 245.608 200.752 221.429 1.00 0.00 C +ATOM 4 CA GLN A 4 245.204 201.824 225.063 1.00 0.00 C +ATOM 5 CA THR A 5 246.071 200.989 228.678 1.00 0.00 C +ATOM 6 CA HIS A 6 249.147 201.277 230.908 1.00 0.00 C +ATOM 7 CA SER A 7 250.352 203.097 234.030 1.00 0.00 C +ATOM 8 CA LEU A 8 249.624 202.216 237.665 1.00 0.00 C +ATOM 9 CA PRO A 9 251.094 201.290 241.056 1.00 0.00 C +ATOM 10 CA ILE A 10 249.076 200.946 244.269 1.00 0.00 C +ATOM 11 CA THR A 11 250.299 201.010 247.877 1.00 0.00 C +ATOM 12 CA HIS A 12 251.517 203.652 250.338 1.00 0.00 C +ATOM 13 CA THR A 13 253.857 206.652 250.531 1.00 0.00 C +ATOM 14 CA GLN A 14 256.926 208.870 250.955 1.00 0.00 C +ATOM 15 CA LEU A 15 258.544 209.074 254.398 1.00 0.00 C +ATOM 16 CA HIS A 16 257.519 212.497 255.721 1.00 0.00 C +ATOM 17 CA SER A 17 256.810 212.391 259.463 1.00 0.00 C +ATOM 18 CA ASN A 18 257.176 208.771 260.594 1.00 0.00 C +ATOM 19 CA SER A 19 256.269 205.117 260.012 1.00 0.00 C +ATOM 20 CA GLN A 20 256.938 203.319 263.303 1.00 0.00 C +ATOM 21 CA PRO A 21 260.381 204.039 264.767 1.00 0.00 C +ATOM 22 CA GLN A 22 263.705 205.640 263.818 1.00 0.00 C +ATOM 23 CA SER A 23 264.612 205.597 260.118 1.00 0.00 C +ATOM 24 CA ARG A 24 264.164 207.906 257.120 1.00 0.00 C +ATOM 25 CA THR A 25 266.296 209.413 254.345 1.00 0.00 C +ATOM 26 CA CYS A 26 268.434 212.566 254.301 1.00 0.00 C +ATOM 27 CA THR A 27 266.309 215.170 252.507 1.00 0.00 C +ATOM 28 CA ARG A 28 263.027 217.084 252.221 1.00 0.00 C +ATOM 29 CA HIS A 29 260.846 220.203 252.386 1.00 0.00 C +ATOM 30 CA CYS A 30 257.046 220.054 252.628 1.00 0.00 C +ATOM 31 CA GLN A 31 254.179 219.729 250.140 1.00 0.00 C +ATOM 32 CA THR A 32 254.351 222.640 247.689 1.00 0.00 C +ATOM 33 CA PHE A 33 252.341 225.858 248.041 1.00 0.00 C +ATOM 34 CA SER A 34 252.510 229.622 248.607 1.00 0.00 C +ATOM 35 CA GLN A 35 251.343 233.070 249.731 1.00 0.00 C +ATOM 36 CA SER A 36 250.309 235.333 246.846 1.00 0.00 C +ATOM 37 CA CYS A 37 248.256 235.831 243.675 1.00 0.00 C +ATOM 38 CA ARG A 38 246.568 233.817 240.916 1.00 0.00 C +ATOM 39 CA HIS A 39 243.464 235.830 240.008 1.00 0.00 C +ATOM 40 CA SER A 40 241.308 238.935 239.527 1.00 0.00 C +ATOM 41 CA HIS A 41 239.436 241.854 237.949 1.00 0.00 C +ATOM 42 CA ARG A 42 238.641 243.393 234.556 1.00 0.00 C +ATOM 43 CA GLY A 43 241.263 244.348 231.962 1.00 0.00 C +ATOM 44 CA SER A 44 241.006 245.840 228.466 1.00 0.00 C +ATOM 45 CA ARG A 45 238.048 248.225 228.187 1.00 0.00 C +ATOM 46 CA SER A 46 235.797 251.143 227.219 1.00 0.00 C +ATOM 47 CA GLN A 47 232.143 250.122 227.565 1.00 0.00 C +ATOM 48 CA SER A 48 229.897 253.142 228.156 1.00 0.00 C +ATOM 49 CA SER A 49 226.832 255.400 227.989 1.00 0.00 C +ATOM 50 CA SER A 50 226.807 258.674 229.938 1.00 0.00 C +ATOM 51 CA GLN A 51 227.116 258.765 233.735 1.00 0.00 C +ATOM 52 CA SER A 52 229.866 257.041 235.731 1.00 0.00 C +ATOM 53 CA PRO A 53 229.176 254.469 238.455 1.00 0.00 C +ATOM 54 CA ALA A 54 227.572 251.042 238.904 1.00 0.00 C +ATOM 55 CA SER A 55 227.461 247.234 238.878 1.00 0.00 C +ATOM 56 CA HIS A 56 227.591 243.812 237.208 1.00 0.00 C +ATOM 57 CA ARG A 57 230.483 243.755 234.729 1.00 0.00 C +ATOM 58 CA ASN A 58 232.686 245.766 232.358 1.00 0.00 C +ATOM 59 CA PRO A 59 234.631 248.698 233.819 1.00 0.00 C +ATOM 60 CA THR A 60 234.276 250.212 237.298 1.00 0.00 C +ATOM 61 CA GLY A 61 237.332 252.445 237.733 1.00 0.00 C +ATOM 62 CA ALA A 62 239.503 255.535 238.239 1.00 0.00 C +ATOM 63 CA HIS A 63 238.498 259.190 238.621 1.00 0.00 C +ATOM 64 CA SER A 64 239.295 262.273 240.713 1.00 0.00 C +ATOM 65 CA SER A 65 242.617 264.038 240.106 1.00 0.00 C +ATOM 66 CA SER A 66 245.918 263.422 238.305 1.00 0.00 C +ATOM 67 CA GLY A 67 248.231 260.402 238.515 1.00 0.00 C +ATOM 68 CA HIS A 68 251.323 260.555 240.736 1.00 0.00 C +ATOM 69 CA GLN A 69 253.057 257.891 242.836 1.00 0.00 C +ATOM 70 CA SER A 70 255.843 256.048 244.668 1.00 0.00 C +ATOM 71 CA GLN A 71 256.487 253.540 247.463 1.00 0.00 C +ATOM 72 CA SER A 72 255.380 252.223 250.863 1.00 0.00 C +ATOM 73 CA PRO A 73 257.090 250.685 253.900 1.00 0.00 C +ATOM 74 CA ASN A 74 259.999 248.543 252.689 1.00 0.00 C +ATOM 75 CA THR A 75 263.135 250.704 252.558 1.00 0.00 C +ATOM 76 CA SER A 76 265.959 250.068 255.035 1.00 0.00 C +ATOM 77 CA PRO A 77 266.388 250.959 258.715 1.00 0.00 C +ATOM 78 CA PRO A 78 267.262 254.218 260.485 1.00 0.00 C +ATOM 79 CA PRO A 79 264.722 256.947 259.700 1.00 0.00 C +ATOM 80 CA LYS A 80 262.220 259.799 259.360 1.00 0.00 C +ATOM 81 CA ARG A 81 258.787 258.389 258.497 1.00 0.00 C +ATOM 82 CA HIS A 82 256.634 260.789 256.467 1.00 0.00 C +ATOM 83 CA LYS A 83 255.142 261.559 253.047 1.00 0.00 C +ATOM 84 CA LYS A 84 255.520 265.032 251.525 1.00 0.00 C +ATOM 85 CA THR A 85 257.079 267.973 249.673 1.00 0.00 C +ATOM 86 CA MET A 86 255.760 268.974 246.241 1.00 0.00 C +ATOM 87 CA ASN A 87 258.072 268.863 243.215 1.00 0.00 C +ATOM 88 CA SER A 88 260.205 271.146 241.035 1.00 0.00 C +ATOM 89 CA HIS A 89 262.081 273.666 243.192 1.00 0.00 C +ATOM 90 CA HIS A 90 263.058 276.863 241.366 1.00 0.00 C +ATOM 91 CA SER A 91 260.834 279.687 240.105 1.00 0.00 C +ATOM 92 CA PRO A 92 259.278 282.847 241.559 1.00 0.00 C +ATOM 93 CA MET A 93 256.935 284.548 239.082 1.00 0.00 C +ATOM 94 CA ARG A 94 254.450 282.834 236.758 1.00 0.00 C +ATOM 95 CA PRO A 95 255.873 279.628 235.270 1.00 0.00 C +ATOM 96 CA THR A 96 256.317 277.719 232.003 1.00 0.00 C +ATOM 97 CA ILE A 97 254.383 276.627 228.908 1.00 0.00 C +ATOM 98 CA LEU A 98 254.507 278.760 225.754 1.00 0.00 C +ATOM 99 CA HIS A 99 254.528 276.528 222.667 1.00 0.00 C +ATOM 100 CA CYS A 100 253.440 272.943 223.360 1.00 0.00 C +ATOM 101 CA ARG A 101 249.853 272.891 224.644 1.00 0.00 C +ATOM 102 CA CYS A 102 246.624 273.936 226.375 1.00 0.00 C +ATOM 103 CA PRO A 103 244.646 273.091 229.520 1.00 0.00 C +ATOM 104 CA LYS A 104 241.389 273.875 231.334 1.00 0.00 C +ATOM 105 CA ASN A 105 240.907 277.108 233.292 1.00 0.00 C +ATOM 106 CA ARG A 106 243.390 278.611 235.760 1.00 0.00 C +ATOM 107 CA LYS A 107 244.352 276.418 238.723 1.00 0.00 C +ATOM 108 CA ASN A 108 245.437 274.188 241.616 1.00 0.00 C +ATOM 109 CA LEU A 109 247.270 274.641 244.925 1.00 0.00 C +ATOM 110 CA GLU A 110 250.917 273.851 245.696 1.00 0.00 C +ATOM 111 CA GLY A 111 252.740 275.873 248.361 1.00 0.00 C +ATOM 112 CA LYS A 112 253.978 274.080 251.487 1.00 0.00 C +ATOM 113 CA LEU A 113 256.374 276.139 253.615 1.00 0.00 C +ATOM 114 CA LYS A 114 254.877 277.569 256.813 1.00 0.00 C +ATOM 115 CA LYS A 115 254.838 275.052 259.674 1.00 0.00 C +ATOM 116 CA LYS A 116 251.966 274.436 262.099 1.00 0.00 C +ATOM 117 CA LYS A 117 252.306 271.222 264.117 1.00 0.00 C +ATOM 118 CA MET A 118 250.313 270.932 267.351 1.00 0.00 C +ATOM 119 CA ALA A 119 249.916 267.458 268.864 1.00 0.00 C +ATOM 120 CA LYS A 120 249.333 264.334 270.965 1.00 0.00 C +ATOM 121 CA ARG A 121 247.241 264.846 274.108 1.00 0.00 C +ATOM 122 CA ILE A 122 247.046 265.448 277.865 1.00 0.00 C +ATOM 123 CA GLN A 123 250.094 265.596 280.147 1.00 0.00 C +ATOM 124 CA GLN A 124 249.163 264.857 283.767 1.00 0.00 C +ATOM 125 CA VAL A 125 249.657 265.927 287.390 1.00 0.00 C +ATOM 126 CA TYR A 126 249.372 269.279 289.179 1.00 0.00 C +ATOM 127 CA LYS A 127 250.809 272.805 289.311 1.00 0.00 C +ATOM 128 CA THR A 128 250.507 276.404 290.523 1.00 0.00 C +ATOM 129 CA LYS A 129 247.744 277.983 292.619 1.00 0.00 C +ATOM 130 CA THR A 130 247.476 281.199 294.643 1.00 0.00 C +ATOM 131 CA ARG A 131 250.242 283.595 293.583 1.00 0.00 C +ATOM 132 CA SER A 132 251.909 285.249 296.583 1.00 0.00 C +ATOM 133 CA SER A 133 254.622 284.299 299.084 1.00 0.00 C +ATOM 134 CA GLY A 134 253.598 281.347 301.264 1.00 0.00 C +ATOM 135 CA TRP A 135 250.903 278.933 300.069 1.00 0.00 C +ATOM 136 CA LYS A 136 248.465 276.086 300.755 1.00 0.00 C +ATOM 137 CA SER A 137 249.241 273.149 298.455 1.00 0.00 C +ATOM 138 CA ASN A 138 251.370 270.636 296.541 1.00 0.00 C +TER 139 ASN A 138 +END diff --git a/Mammals/Q4VS15/Q4VS15.dcd b/Mammals/Q4VS15/Q4VS15.dcd new file mode 100644 index 0000000000000000000000000000000000000000..5c172ebf59e0241af1eb83b2c71efc0273b9b742 --- /dev/null +++ b/Mammals/Q4VS15/Q4VS15.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a50ffc6e8e1dffd64f6ebea87ced7d5f615f7031490c4c44cc0b960139e50602 +size 5600276 diff --git a/Mammals/Q4VS15/top.pdb b/Mammals/Q4VS15/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ee4a062ae30a77028deeef0bcc83d6673e930b83 --- /dev/null +++ b/Mammals/Q4VS15/top.pdb @@ -0,0 +1,44 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA TRP A 1 281.248 246.429 232.514 1.00 0.00 C +ATOM 2 CA PRO A 2 279.326 245.680 229.310 1.00 0.00 C +ATOM 3 CA ALA A 3 275.959 247.450 229.527 1.00 0.00 C +ATOM 4 CA SER A 4 275.965 251.255 229.715 1.00 0.00 C +ATOM 5 CA THR A 5 272.814 252.153 231.659 1.00 0.00 C +ATOM 6 CA PRO A 6 269.479 251.695 233.443 1.00 0.00 C +ATOM 7 CA GLY A 7 266.563 251.809 235.893 1.00 0.00 C +ATOM 8 CA THR A 8 262.880 251.060 235.270 1.00 0.00 C +ATOM 9 CA ASN A 9 261.067 248.807 237.751 1.00 0.00 C +ATOM 10 CA PHE A 10 257.802 249.393 239.626 1.00 0.00 C +ATOM 11 CA SER A 11 254.703 247.313 240.393 1.00 0.00 C +ATOM 12 CA ARG A 12 252.046 245.316 242.254 1.00 0.00 C +ATOM 13 CA SER A 13 248.391 244.845 243.222 1.00 0.00 C +ATOM 14 CA ARG A 14 245.386 246.058 241.217 1.00 0.00 C +ATOM 15 CA SER A 15 241.583 246.221 241.362 1.00 0.00 C +ATOM 16 CA GLN A 16 239.710 248.479 243.793 1.00 0.00 C +ATOM 17 CA PRO A 17 239.463 250.381 247.085 1.00 0.00 C +ATOM 18 CA SER A 18 235.974 249.748 248.479 1.00 0.00 C +ATOM 19 CA ASP A 19 232.257 250.308 247.856 1.00 0.00 C +ATOM 20 CA PRO A 20 229.793 248.575 250.188 1.00 0.00 C +ATOM 21 CA ASN A 21 230.096 247.767 253.899 1.00 0.00 C +ATOM 22 CA LEU A 22 231.612 249.975 256.609 1.00 0.00 C +ATOM 23 CA SER A 23 234.148 252.756 256.021 1.00 0.00 C +ATOM 24 CA ARG A 24 236.393 254.355 253.391 1.00 0.00 C +ATOM 25 CA VAL A 25 237.181 257.913 252.276 1.00 0.00 C +ATOM 26 CA ALA A 26 239.018 258.073 248.942 1.00 0.00 C +ATOM 27 CA PHE A 27 242.697 257.637 249.830 1.00 0.00 C +ATOM 28 CA ALA A 28 244.353 255.320 252.361 1.00 0.00 C +ATOM 29 CA GLY A 29 245.537 251.712 252.063 1.00 0.00 C +ATOM 30 CA SER A 30 247.659 250.258 254.874 1.00 0.00 C +ATOM 31 CA ARG A 31 246.844 250.424 258.592 1.00 0.00 C +ATOM 32 CA PRO A 32 245.424 247.331 260.304 1.00 0.00 C +ATOM 33 CA ARG A 33 244.632 247.001 264.017 1.00 0.00 C +ATOM 34 CA ARG A 34 244.606 248.836 267.356 1.00 0.00 C +ATOM 35 CA ALA A 35 244.599 246.539 270.395 1.00 0.00 C +ATOM 36 CA CYS A 36 247.994 246.436 272.120 1.00 0.00 C +ATOM 37 CA THR A 37 249.796 249.777 271.796 1.00 0.00 C +ATOM 38 CA SER A 38 251.819 250.556 274.930 1.00 0.00 C +ATOM 39 CA ARG A 39 255.619 250.552 274.653 1.00 0.00 C +ATOM 40 CA ALA A 40 257.566 253.806 275.015 1.00 0.00 C +TER 41 ALA A 40 +END diff --git a/Mammals/Q4VXN2/Q4VXN2.dcd b/Mammals/Q4VXN2/Q4VXN2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..6f9a0b9b5fe54eb3832674dd1e7a281abbce15a1 --- /dev/null +++ b/Mammals/Q4VXN2/Q4VXN2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:91392bf680ab94b36a1db48921897dc8bc121d8a4a901f3a2de016a4facc2cde +size 5240276 diff --git a/Mammals/Q4VXN2/top.pdb b/Mammals/Q4VXN2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4e4f0359f4655df295dbd9f85f6feb9e8f2db2c8 --- /dev/null +++ b/Mammals/Q4VXN2/top.pdb @@ -0,0 +1,41 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 221.103 260.470 238.529 1.00 0.00 C +ATOM 2 CA GLU A 2 223.541 263.394 238.670 1.00 0.00 C +ATOM 3 CA GLU A 3 226.373 264.598 240.916 1.00 0.00 C +ATOM 4 CA LYS A 4 225.996 265.754 244.527 1.00 0.00 C +ATOM 5 CA ASP A 5 228.162 265.404 247.642 1.00 0.00 C +ATOM 6 CA TYR A 6 231.512 263.621 247.975 1.00 0.00 C +ATOM 7 CA SER A 7 234.777 263.958 249.910 1.00 0.00 C +ATOM 8 CA GLU A 8 238.558 263.853 250.365 1.00 0.00 C +ATOM 9 CA ALA A 9 240.502 262.702 253.433 1.00 0.00 C +ATOM 10 CA ASP A 10 243.582 261.646 255.412 1.00 0.00 C +ATOM 11 CA GLY A 11 245.735 260.498 258.339 1.00 0.00 C +ATOM 12 CA LEU A 12 248.945 258.930 259.662 1.00 0.00 C +ATOM 13 CA SER A 13 251.632 261.617 259.928 1.00 0.00 C +ATOM 14 CA GLU A 14 254.594 263.135 258.072 1.00 0.00 C +ATOM 15 CA ARG A 15 255.514 262.712 254.399 1.00 0.00 C +ATOM 16 CA THR A 16 255.026 260.663 251.224 1.00 0.00 C +ATOM 17 CA THR A 17 254.131 257.211 249.883 1.00 0.00 C +ATOM 18 CA PRO A 18 257.205 255.378 248.578 1.00 0.00 C +ATOM 19 CA SER A 19 259.005 252.164 249.549 1.00 0.00 C +ATOM 20 CA LYS A 20 260.123 251.425 253.116 1.00 0.00 C +ATOM 21 CA ALA A 21 262.199 249.658 255.778 1.00 0.00 C +ATOM 22 CA GLN A 22 263.104 246.883 258.226 1.00 0.00 C +ATOM 23 CA LYS A 23 265.802 244.825 259.959 1.00 0.00 C +ATOM 24 CA SER A 24 266.828 241.483 258.445 1.00 0.00 C +ATOM 25 CA PRO A 25 266.708 241.789 254.649 1.00 0.00 C +ATOM 26 CA GLN A 26 264.289 239.045 253.584 1.00 0.00 C +ATOM 27 CA LYS A 27 261.441 240.309 251.392 1.00 0.00 C +ATOM 28 CA ILE A 28 258.112 242.159 251.288 1.00 0.00 C +ATOM 29 CA ALA A 29 255.456 239.525 250.560 1.00 0.00 C +ATOM 30 CA LYS A 30 253.857 240.692 247.304 1.00 0.00 C +ATOM 31 CA LYS A 31 254.079 239.414 243.722 1.00 0.00 C +ATOM 32 CA TYR A 32 254.719 235.754 242.879 1.00 0.00 C +ATOM 33 CA LYS A 33 254.679 232.019 243.635 1.00 0.00 C +ATOM 34 CA SER A 34 255.566 228.545 242.346 1.00 0.00 C +ATOM 35 CA ALA A 35 255.424 224.773 242.861 1.00 0.00 C +ATOM 36 CA ILE A 36 251.898 223.440 242.308 1.00 0.00 C +ATOM 37 CA CYS A 37 249.825 220.553 240.935 1.00 0.00 C +TER 38 CYS A 37 +END diff --git a/Mammals/Q4VXN8/Q4VXN8.dcd b/Mammals/Q4VXN8/Q4VXN8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..db15d755eaa252cd7eda5e9750854faa4618a8f3 --- /dev/null +++ b/Mammals/Q4VXN8/Q4VXN8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a35a44c1a7521f38adcc90946633cebb83a0093172e32d2b1c65f9e3cd2a0755 +size 7880276 diff --git a/Mammals/Q4VXN8/top.pdb b/Mammals/Q4VXN8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f301c6fedec5f2b3c06f19011954549ecefc1532 --- /dev/null +++ b/Mammals/Q4VXN8/top.pdb @@ -0,0 +1,63 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 307.639 239.226 227.553 1.00 0.00 C +ATOM 2 CA THR A 2 306.511 240.126 231.079 1.00 0.00 C +ATOM 3 CA THR A 3 303.026 238.686 231.627 1.00 0.00 C +ATOM 4 CA GLU A 4 299.355 239.478 230.983 1.00 0.00 C +ATOM 5 CA THR A 5 296.707 241.989 232.078 1.00 0.00 C +ATOM 6 CA GLY A 6 293.138 243.079 231.310 1.00 0.00 C +ATOM 7 CA PRO A 7 292.187 245.385 234.190 1.00 0.00 C +ATOM 8 CA ASP A 8 290.937 248.714 235.559 1.00 0.00 C +ATOM 9 CA SER A 9 289.905 252.357 235.978 1.00 0.00 C +ATOM 10 CA GLU A 10 287.303 255.122 235.659 1.00 0.00 C +ATOM 11 CA VAL A 11 284.002 254.968 237.556 1.00 0.00 C +ATOM 12 CA LYS A 12 281.236 255.950 239.985 1.00 0.00 C +ATOM 13 CA LYS A 13 278.973 257.688 242.509 1.00 0.00 C +ATOM 14 CA ALA A 14 276.045 256.378 244.566 1.00 0.00 C +ATOM 15 CA GLN A 15 276.463 254.264 247.708 1.00 0.00 C +ATOM 16 CA GLU A 16 273.930 251.498 248.376 1.00 0.00 C +ATOM 17 CA GLU A 17 270.759 253.314 249.455 1.00 0.00 C +ATOM 18 CA ALA A 18 267.359 254.507 248.218 1.00 0.00 C +ATOM 19 CA PRO A 19 264.625 251.976 249.017 1.00 0.00 C +ATOM 20 CA GLN A 20 260.851 251.840 249.516 1.00 0.00 C +ATOM 21 CA GLN A 21 257.093 251.868 250.143 1.00 0.00 C +ATOM 22 CA PRO A 22 254.663 250.643 252.811 1.00 0.00 C +ATOM 23 CA GLU A 23 255.162 246.908 253.377 1.00 0.00 C +ATOM 24 CA ALA A 24 251.996 244.790 253.302 1.00 0.00 C +ATOM 25 CA ALA A 25 251.141 241.989 255.740 1.00 0.00 C +ATOM 26 CA ALA A 26 251.805 241.897 259.491 1.00 0.00 C +ATOM 27 CA ALA A 27 250.744 239.077 261.822 1.00 0.00 C +ATOM 28 CA VAL A 28 247.947 236.587 261.120 1.00 0.00 C +ATOM 29 CA THR A 29 246.134 238.021 258.091 1.00 0.00 C +ATOM 30 CA THR A 30 244.751 241.482 258.879 1.00 0.00 C +ATOM 31 CA PRO A 31 241.260 242.977 258.566 1.00 0.00 C +ATOM 32 CA VAL A 32 240.258 246.587 257.874 1.00 0.00 C +ATOM 33 CA THR A 33 238.883 248.519 260.856 1.00 0.00 C +ATOM 34 CA PRO A 34 236.160 251.183 260.771 1.00 0.00 C +ATOM 35 CA ALA A 35 235.060 253.977 263.115 1.00 0.00 C +ATOM 36 CA GLY A 36 234.260 257.692 262.836 1.00 0.00 C +ATOM 37 CA HIS A 37 231.056 259.554 261.951 1.00 0.00 C +ATOM 38 CA GLY A 38 230.044 258.655 258.390 1.00 0.00 C +ATOM 39 CA HIS A 39 226.353 259.303 257.701 1.00 0.00 C +ATOM 40 CA PRO A 40 224.150 262.167 256.492 1.00 0.00 C +ATOM 41 CA GLU A 41 224.093 262.099 252.683 1.00 0.00 C +ATOM 42 CA ALA A 42 223.919 262.639 248.916 1.00 0.00 C +ATOM 43 CA ASN A 43 223.378 262.772 245.147 1.00 0.00 C +ATOM 44 CA SER A 44 220.958 260.748 243.011 1.00 0.00 C +ATOM 45 CA ASN A 45 221.785 258.406 240.121 1.00 0.00 C +ATOM 46 CA GLU A 46 221.372 255.258 238.015 1.00 0.00 C +ATOM 47 CA LYS A 47 222.924 251.944 239.076 1.00 0.00 C +ATOM 48 CA HIS A 48 221.834 248.766 240.873 1.00 0.00 C +ATOM 49 CA PRO A 49 222.025 247.640 244.508 1.00 0.00 C +ATOM 50 CA SER A 50 220.781 247.170 248.079 1.00 0.00 C +ATOM 51 CA GLN A 51 219.026 248.039 251.347 1.00 0.00 C +ATOM 52 CA GLN A 52 216.678 247.694 254.327 1.00 0.00 C +ATOM 53 CA ASP A 53 214.853 249.342 257.237 1.00 0.00 C +ATOM 54 CA THR A 54 216.685 250.041 260.504 1.00 0.00 C +ATOM 55 CA ARG A 55 220.109 250.077 262.175 1.00 0.00 C +ATOM 56 CA PRO A 56 220.622 250.033 265.950 1.00 0.00 C +ATOM 57 CA ALA A 57 221.441 246.829 267.841 1.00 0.00 C +ATOM 58 CA GLU A 58 222.365 246.171 271.479 1.00 0.00 C +ATOM 59 CA GLN A 59 225.275 243.916 272.460 1.00 0.00 C +TER 60 GLN A 59 +END diff --git a/Mammals/Q4VXW1/Q4VXW1.dcd b/Mammals/Q4VXW1/Q4VXW1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..9af20970eaad9b6936c3a9ed0ab6b2956206af1c --- /dev/null +++ b/Mammals/Q4VXW1/Q4VXW1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bd69508672b885c7282b785cc91c22e1ec4ee3af7086b1cf19c0b1fa08bc247a +size 23720276 diff --git a/Mammals/Q4VXW1/top.pdb b/Mammals/Q4VXW1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2ca5b2c8b9a6de949f2186e6d0798c1282c7ff5e --- /dev/null +++ b/Mammals/Q4VXW1/top.pdb @@ -0,0 +1,195 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 187.435 258.288 241.817 1.00 0.00 C +ATOM 2 CA TRP A 2 190.527 256.230 240.971 1.00 0.00 C +ATOM 3 CA TRP A 3 194.184 256.802 241.874 1.00 0.00 C +ATOM 4 CA SER A 4 196.212 256.681 238.651 1.00 0.00 C +ATOM 5 CA SER A 5 199.919 257.464 239.052 1.00 0.00 C +ATOM 6 CA THR A 6 203.392 258.429 240.286 1.00 0.00 C +ATOM 7 CA GLN A 7 206.999 259.546 240.794 1.00 0.00 C +ATOM 8 CA ASN A 8 209.012 258.263 243.764 1.00 0.00 C +ATOM 9 CA ALA A 9 206.734 257.903 246.797 1.00 0.00 C +ATOM 10 CA GLY A 10 203.359 256.274 247.483 1.00 0.00 C +ATOM 11 CA THR A 11 199.662 255.632 246.826 1.00 0.00 C +ATOM 12 CA GLU A 12 196.350 254.205 248.055 1.00 0.00 C +ATOM 13 CA GLY A 13 195.428 252.287 251.216 1.00 0.00 C +ATOM 14 CA GLU A 14 195.692 250.631 254.637 1.00 0.00 C +ATOM 15 CA ALA A 15 196.145 253.165 257.446 1.00 0.00 C +ATOM 16 CA GLY A 16 195.363 255.615 260.257 1.00 0.00 C +ATOM 17 CA PRO A 17 195.873 259.079 258.754 1.00 0.00 C +ATOM 18 CA PRO A 18 198.350 261.973 258.812 1.00 0.00 C +ATOM 19 CA GLY A 19 201.924 260.714 258.417 1.00 0.00 C +ATOM 20 CA LEU A 20 203.262 257.374 259.669 1.00 0.00 C +ATOM 21 CA PRO A 21 206.161 256.027 257.597 1.00 0.00 C +ATOM 22 CA GLY A 22 206.829 258.743 255.009 1.00 0.00 C +ATOM 23 CA PRO A 23 207.573 262.410 255.727 1.00 0.00 C +ATOM 24 CA PRO A 24 210.523 263.588 253.624 1.00 0.00 C +ATOM 25 CA GLY A 25 211.385 260.826 251.145 1.00 0.00 C +ATOM 26 CA PRO A 26 213.143 258.128 249.108 1.00 0.00 C +ATOM 27 CA LYS A 27 215.326 256.995 246.199 1.00 0.00 C +ATOM 28 CA GLY A 28 215.476 253.189 246.287 1.00 0.00 C +ATOM 29 CA ALA A 29 213.993 249.821 245.299 1.00 0.00 C +ATOM 30 CA PRO A 30 210.213 250.265 245.125 1.00 0.00 C +ATOM 31 CA GLY A 31 206.539 249.259 245.050 1.00 0.00 C +ATOM 32 CA LYS A 32 204.454 251.122 242.462 1.00 0.00 C +ATOM 33 CA PRO A 33 201.796 250.717 239.763 1.00 0.00 C +ATOM 34 CA GLY A 34 200.361 247.806 237.767 1.00 0.00 C +ATOM 35 CA LYS A 35 201.008 248.085 234.023 1.00 0.00 C +ATOM 36 CA PRO A 36 203.137 246.084 231.578 1.00 0.00 C +ATOM 37 CA GLY A 37 206.920 246.260 232.001 1.00 0.00 C +ATOM 38 CA GLU A 38 209.642 247.987 234.032 1.00 0.00 C +ATOM 39 CA ALA A 39 207.863 249.903 236.803 1.00 0.00 C +ATOM 40 CA GLY A 40 207.635 253.658 236.200 1.00 0.00 C +ATOM 41 CA LEU A 41 208.810 255.018 232.840 1.00 0.00 C +ATOM 42 CA PRO A 42 209.688 255.904 229.240 1.00 0.00 C +ATOM 43 CA GLY A 43 210.591 253.695 226.270 1.00 0.00 C +ATOM 44 CA LEU A 44 211.888 251.869 223.188 1.00 0.00 C +ATOM 45 CA PRO A 45 212.811 253.814 220.045 1.00 0.00 C +ATOM 46 CA GLY A 46 212.433 251.625 216.950 1.00 0.00 C +ATOM 47 CA VAL A 47 211.378 251.313 213.302 1.00 0.00 C +ATOM 48 CA ASP A 48 210.399 248.789 210.621 1.00 0.00 C +ATOM 49 CA GLY A 49 211.324 246.384 207.815 1.00 0.00 C +ATOM 50 CA LEU A 50 212.560 242.840 207.160 1.00 0.00 C +ATOM 51 CA THR A 51 210.508 239.673 206.636 1.00 0.00 C +ATOM 52 CA GLY A 52 210.547 238.486 203.016 1.00 0.00 C +ATOM 53 CA ARG A 53 213.895 239.038 201.283 1.00 0.00 C +ATOM 54 CA ASP A 54 216.331 240.126 198.564 1.00 0.00 C +ATOM 55 CA GLY A 55 219.695 241.851 199.036 1.00 0.00 C +ATOM 56 CA PRO A 56 221.340 242.137 195.611 1.00 0.00 C +ATOM 57 CA PRO A 57 221.148 242.959 191.896 1.00 0.00 C +ATOM 58 CA GLY A 58 223.912 244.842 190.071 1.00 0.00 C +ATOM 59 CA PRO A 59 223.840 248.629 189.659 1.00 0.00 C +ATOM 60 CA LYS A 60 225.871 250.136 192.509 1.00 0.00 C +ATOM 61 CA GLY A 61 224.735 248.558 195.785 1.00 0.00 C +ATOM 62 CA ALA A 62 224.684 248.718 199.591 1.00 0.00 C +ATOM 63 CA PRO A 63 228.258 249.627 200.547 1.00 0.00 C +ATOM 64 CA GLY A 64 231.542 247.724 200.878 1.00 0.00 C +ATOM 65 CA GLU A 65 234.401 248.269 198.419 1.00 0.00 C +ATOM 66 CA ARG A 66 235.764 245.755 195.902 1.00 0.00 C +ATOM 67 CA GLY A 67 235.268 242.263 197.344 1.00 0.00 C +ATOM 68 CA SER A 68 236.499 238.749 196.537 1.00 0.00 C +ATOM 69 CA LEU A 69 237.899 235.349 197.536 1.00 0.00 C +ATOM 70 CA GLY A 70 241.134 235.871 199.479 1.00 0.00 C +ATOM 71 CA PRO A 71 242.323 233.916 202.525 1.00 0.00 C +ATOM 72 CA PRO A 72 245.876 232.569 202.237 1.00 0.00 C +ATOM 73 CA GLY A 73 249.240 231.413 203.601 1.00 0.00 C +ATOM 74 CA PRO A 74 251.225 229.590 206.294 1.00 0.00 C +ATOM 75 CA PRO A 75 249.239 226.703 207.791 1.00 0.00 C +ATOM 76 CA GLY A 76 247.393 223.820 209.463 1.00 0.00 C +ATOM 77 CA LEU A 77 247.509 223.615 213.265 1.00 0.00 C +ATOM 78 CA GLY A 78 244.905 223.573 216.046 1.00 0.00 C +ATOM 79 CA GLY A 79 244.009 227.092 217.201 1.00 0.00 C +ATOM 80 CA LYS A 80 246.787 228.845 219.131 1.00 0.00 C +ATOM 81 CA GLY A 81 248.832 229.738 222.220 1.00 0.00 C +ATOM 82 CA LEU A 82 252.412 228.917 223.231 1.00 0.00 C +ATOM 83 CA PRO A 83 255.300 231.349 223.744 1.00 0.00 C +ATOM 84 CA GLY A 84 256.480 232.713 227.100 1.00 0.00 C +ATOM 85 CA PRO A 85 257.239 229.662 229.252 1.00 0.00 C +ATOM 86 CA PRO A 86 256.768 226.417 231.192 1.00 0.00 C +ATOM 87 CA GLY A 87 256.426 223.390 233.481 1.00 0.00 C +ATOM 88 CA GLU A 88 256.391 222.577 237.203 1.00 0.00 C +ATOM 89 CA ALA A 89 258.485 225.088 239.159 1.00 0.00 C +ATOM 90 CA GLY A 90 258.251 228.759 240.153 1.00 0.00 C +ATOM 91 CA VAL A 91 257.090 230.809 237.159 1.00 0.00 C +ATOM 92 CA SER A 92 254.734 233.412 238.637 1.00 0.00 C +ATOM 93 CA GLY A 93 256.677 236.366 240.055 1.00 0.00 C +ATOM 94 CA PRO A 94 259.491 237.539 242.341 1.00 0.00 C +ATOM 95 CA PRO A 95 259.105 236.817 246.063 1.00 0.00 C +ATOM 96 CA GLY A 96 260.836 234.344 248.386 1.00 0.00 C +ATOM 97 CA GLY A 97 260.555 235.756 251.914 1.00 0.00 C +ATOM 98 CA ILE A 98 257.568 237.025 253.910 1.00 0.00 C +ATOM 99 CA GLY A 99 254.082 236.495 252.468 1.00 0.00 C +ATOM 100 CA LEU A 100 252.337 237.278 249.173 1.00 0.00 C +ATOM 101 CA ARG A 101 249.435 234.844 248.751 1.00 0.00 C +ATOM 102 CA GLY A 102 248.652 233.379 245.322 1.00 0.00 C +ATOM 103 CA PRO A 103 246.295 234.851 242.715 1.00 0.00 C +ATOM 104 CA PRO A 104 244.181 238.019 242.620 1.00 0.00 C +ATOM 105 CA GLY A 105 242.119 239.240 245.582 1.00 0.00 C +ATOM 106 CA PRO A 106 243.470 242.295 247.413 1.00 0.00 C +ATOM 107 CA SER A 107 246.216 244.277 249.159 1.00 0.00 C +ATOM 108 CA GLY A 108 249.567 245.841 250.075 1.00 0.00 C +ATOM 109 CA LEU A 109 252.426 243.358 249.648 1.00 0.00 C +ATOM 110 CA PRO A 110 256.141 242.527 249.509 1.00 0.00 C +ATOM 111 CA GLY A 111 258.360 244.407 251.970 1.00 0.00 C +ATOM 112 CA LEU A 112 259.624 247.963 251.444 1.00 0.00 C +ATOM 113 CA PRO A 113 258.109 250.836 249.453 1.00 0.00 C +ATOM 114 CA GLY A 114 260.182 253.925 248.631 1.00 0.00 C +ATOM 115 CA PRO A 115 258.364 257.217 249.244 1.00 0.00 C +ATOM 116 CA PRO A 116 257.713 258.361 252.819 1.00 0.00 C +ATOM 117 CA GLY A 117 255.832 261.022 254.793 1.00 0.00 C +ATOM 118 CA PRO A 118 258.265 262.244 257.458 1.00 0.00 C +ATOM 119 CA PRO A 119 256.728 261.348 260.827 1.00 0.00 C +ATOM 120 CA GLY A 120 253.345 260.063 262.018 1.00 0.00 C +ATOM 121 CA PRO A 121 251.278 257.301 263.637 1.00 0.00 C +ATOM 122 CA PRO A 122 253.572 255.006 265.634 1.00 0.00 C +ATOM 123 CA GLY A 123 257.217 254.104 264.986 1.00 0.00 C +ATOM 124 CA HIS A 124 257.309 251.538 262.171 1.00 0.00 C +ATOM 125 CA PRO A 125 254.950 248.551 262.005 1.00 0.00 C +ATOM 126 CA GLY A 126 253.407 247.849 265.417 1.00 0.00 C +ATOM 127 CA VAL A 127 253.764 247.443 269.189 1.00 0.00 C +ATOM 128 CA LEU A 128 250.515 247.732 271.157 1.00 0.00 C +ATOM 129 CA PRO A 129 251.513 246.852 274.727 1.00 0.00 C +ATOM 130 CA GLU A 130 254.726 244.811 274.911 1.00 0.00 C +ATOM 131 CA GLY A 131 255.323 242.559 277.925 1.00 0.00 C +ATOM 132 CA ALA A 132 256.331 238.900 278.257 1.00 0.00 C +ATOM 133 CA THR A 133 258.130 235.557 278.586 1.00 0.00 C +ATOM 134 CA ASP A 134 261.587 234.150 277.819 1.00 0.00 C +ATOM 135 CA LEU A 135 265.394 234.231 277.712 1.00 0.00 C +ATOM 136 CA GLN A 136 269.134 233.550 277.452 1.00 0.00 C +ATOM 137 CA CYS A 137 272.283 233.408 279.592 1.00 0.00 C +ATOM 138 CA PRO A 138 274.080 235.776 281.976 1.00 0.00 C +ATOM 139 CA SER A 139 271.864 238.671 283.085 1.00 0.00 C +ATOM 140 CA ILE A 140 270.189 240.462 280.170 1.00 0.00 C +ATOM 141 CA CYS A 141 268.253 242.764 277.831 1.00 0.00 C +ATOM 142 CA PRO A 142 266.671 245.667 275.937 1.00 0.00 C +ATOM 143 CA PRO A 143 262.903 245.199 276.257 1.00 0.00 C +ATOM 144 CA GLY A 144 262.015 242.385 278.667 1.00 0.00 C +ATOM 145 CA PRO A 145 260.792 243.456 282.113 1.00 0.00 C +ATOM 146 CA PRO A 146 261.374 243.724 285.869 1.00 0.00 C +ATOM 147 CA GLY A 147 261.924 244.971 289.427 1.00 0.00 C +ATOM 148 CA PRO A 148 263.667 248.337 289.818 1.00 0.00 C +ATOM 149 CA PRO A 149 267.122 249.940 289.759 1.00 0.00 C +ATOM 150 CA GLY A 150 269.703 250.362 286.988 1.00 0.00 C +ATOM 151 CA MET A 151 269.241 252.238 283.704 1.00 0.00 C +ATOM 152 CA PRO A 152 271.003 255.122 281.945 1.00 0.00 C +ATOM 153 CA GLY A 153 273.318 256.701 279.364 1.00 0.00 C +ATOM 154 CA PHE A 154 272.980 259.900 277.322 1.00 0.00 C +ATOM 155 CA LYS A 155 274.176 262.965 279.243 1.00 0.00 C +ATOM 156 CA GLY A 156 277.036 265.296 280.193 1.00 0.00 C +ATOM 157 CA PRO A 157 278.913 268.563 279.623 1.00 0.00 C +ATOM 158 CA THR A 158 282.304 267.828 278.050 1.00 0.00 C +ATOM 159 CA GLY A 159 284.317 266.015 280.730 1.00 0.00 C +ATOM 160 CA TYR A 160 286.067 262.911 279.382 1.00 0.00 C +ATOM 161 CA LYS A 161 289.027 260.514 279.481 1.00 0.00 C +ATOM 162 CA GLY A 162 290.610 259.964 282.903 1.00 0.00 C +ATOM 163 CA GLU A 163 293.705 261.489 284.519 1.00 0.00 C +ATOM 164 CA GLN A 164 296.620 261.927 282.106 1.00 0.00 C +ATOM 165 CA GLY A 165 298.299 259.672 279.534 1.00 0.00 C +ATOM 166 CA GLU A 166 300.586 256.885 278.301 1.00 0.00 C +ATOM 167 CA VAL A 167 300.448 256.224 274.552 1.00 0.00 C +ATOM 168 CA GLY A 168 303.588 256.875 272.494 1.00 0.00 C +ATOM 169 CA LYS A 169 307.171 258.159 272.658 1.00 0.00 C +ATOM 170 CA ASP A 170 307.061 260.953 275.246 1.00 0.00 C +ATOM 171 CA GLY A 171 308.171 264.402 276.422 1.00 0.00 C +ATOM 172 CA GLU A 172 311.246 265.687 278.268 1.00 0.00 C +ATOM 173 CA LYS A 173 313.405 268.802 277.885 1.00 0.00 C +ATOM 174 CA GLY A 174 316.016 271.557 278.221 1.00 0.00 C +ATOM 175 CA ASP A 175 319.381 269.929 277.487 1.00 0.00 C +ATOM 176 CA PRO A 176 322.667 271.487 276.352 1.00 0.00 C +ATOM 177 CA GLY A 177 323.075 275.266 276.611 1.00 0.00 C +ATOM 178 CA PRO A 178 324.091 276.252 280.148 1.00 0.00 C +ATOM 179 CA PRO A 179 321.825 278.379 282.351 1.00 0.00 C +ATOM 180 CA GLY A 180 323.527 279.553 285.552 1.00 0.00 C +ATOM 181 CA PRO A 181 321.332 281.286 288.139 1.00 0.00 C +ATOM 182 CA ALA A 182 323.396 284.204 289.457 1.00 0.00 C +ATOM 183 CA GLY A 183 322.407 284.790 293.089 1.00 0.00 C +ATOM 184 CA LEU A 184 324.215 282.228 295.253 1.00 0.00 C +ATOM 185 CA PRO A 185 327.536 280.360 295.271 1.00 0.00 C +ATOM 186 CA GLY A 186 328.309 277.453 292.933 1.00 0.00 C +ATOM 187 CA SER A 187 324.946 276.324 291.544 1.00 0.00 C +ATOM 188 CA VAL A 188 322.561 273.444 290.814 1.00 0.00 C +ATOM 189 CA GLY A 189 319.816 271.452 292.550 1.00 0.00 C +ATOM 190 CA LEU A 190 320.056 268.160 294.453 1.00 0.00 C +ATOM 191 CA GLN A 191 321.013 264.491 294.828 1.00 0.00 C +TER 192 GLN A 191 +END diff --git a/Mammals/Q4W1I7/Q4W1I7.dcd b/Mammals/Q4W1I7/Q4W1I7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b18f796ab280b5f0b042642f48c651d479c5451a --- /dev/null +++ b/Mammals/Q4W1I7/Q4W1I7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b09575df0e6eb324e8ba7419b2c41b173d48bd0676e5e95e4b4a9aba8392fb77 +size 6560276 diff --git a/Mammals/Q4W1I7/top.pdb b/Mammals/Q4W1I7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3e2bdd47a3372c415be12c8100d278d2413910db --- /dev/null +++ b/Mammals/Q4W1I7/top.pdb @@ -0,0 +1,52 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ARG A 1 266.352 261.243 278.595 1.00 0.00 C +ATOM 2 CA SER A 2 269.473 261.264 276.410 1.00 0.00 C +ATOM 3 CA CYS A 3 268.227 260.604 272.870 1.00 0.00 C +ATOM 4 CA SER A 4 266.876 262.808 270.071 1.00 0.00 C +ATOM 5 CA ARG A 5 269.648 264.374 267.979 1.00 0.00 C +ATOM 6 CA PRO A 6 272.107 262.339 265.898 1.00 0.00 C +ATOM 7 CA THR A 7 273.832 259.627 263.852 1.00 0.00 C +ATOM 8 CA ARG A 8 275.480 257.776 260.958 1.00 0.00 C +ATOM 9 CA GLY A 9 274.467 259.065 257.519 1.00 0.00 C +ATOM 10 CA ARG A 10 273.724 258.420 253.838 1.00 0.00 C +ATOM 11 CA ARG A 11 269.935 258.557 253.455 1.00 0.00 C +ATOM 12 CA THR A 12 266.787 260.686 253.194 1.00 0.00 C +ATOM 13 CA PRO A 13 266.451 263.206 250.356 1.00 0.00 C +ATOM 14 CA ALA A 14 267.192 266.800 249.330 1.00 0.00 C +ATOM 15 CA ARG A 15 264.941 269.719 250.293 1.00 0.00 C +ATOM 16 CA ARG A 16 262.025 271.868 251.474 1.00 0.00 C +ATOM 17 CA SER A 17 258.253 271.769 252.006 1.00 0.00 C +ATOM 18 CA GLY A 18 255.417 269.249 252.355 1.00 0.00 C +ATOM 19 CA ARG A 19 252.183 267.950 250.817 1.00 0.00 C +ATOM 20 CA ARG A 20 250.169 265.621 253.061 1.00 0.00 C +ATOM 21 CA TRP A 21 251.738 263.164 255.514 1.00 0.00 C +ATOM 22 CA TRP A 22 250.846 259.695 254.215 1.00 0.00 C +ATOM 23 CA ARG A 23 247.188 259.727 253.149 1.00 0.00 C +ATOM 24 CA SER A 24 244.173 260.869 251.119 1.00 0.00 C +ATOM 25 CA ALA A 25 241.701 259.134 248.796 1.00 0.00 C +ATOM 26 CA THR A 26 240.118 257.865 245.571 1.00 0.00 C +ATOM 27 CA GLY A 27 241.310 254.311 244.892 1.00 0.00 C +ATOM 28 CA ARG A 28 240.195 250.668 244.957 1.00 0.00 C +ATOM 29 CA SER A 29 239.181 247.520 246.848 1.00 0.00 C +ATOM 30 CA ALA A 30 235.630 246.271 247.440 1.00 0.00 C +ATOM 31 CA SER A 31 234.445 242.744 248.261 1.00 0.00 C +ATOM 32 CA ARG A 32 233.883 239.811 245.895 1.00 0.00 C +ATOM 33 CA GLY A 33 235.741 240.728 242.698 1.00 0.00 C +ATOM 34 CA GLY A 34 235.996 240.832 238.898 1.00 0.00 C +ATOM 35 CA CYS A 35 232.913 242.782 237.801 1.00 0.00 C +ATOM 36 CA HIS A 36 229.713 240.715 237.739 1.00 0.00 C +ATOM 37 CA HIS A 37 229.155 238.028 240.383 1.00 0.00 C +ATOM 38 CA HIS A 38 226.949 235.743 242.487 1.00 0.00 C +ATOM 39 CA ARG A 39 226.494 232.050 241.669 1.00 0.00 C +ATOM 40 CA HIS A 40 229.113 229.579 242.915 1.00 0.00 C +ATOM 41 CA ARG A 41 231.055 226.392 242.147 1.00 0.00 C +ATOM 42 CA GLY A 42 234.719 225.731 242.956 1.00 0.00 C +ATOM 43 CA TRP A 43 237.189 225.725 240.056 1.00 0.00 C +ATOM 44 CA ALA A 44 240.340 226.122 237.951 1.00 0.00 C +ATOM 45 CA PRO A 45 242.759 223.324 237.038 1.00 0.00 C +ATOM 46 CA THR A 46 245.593 221.117 235.767 1.00 0.00 C +ATOM 47 CA LEU A 47 247.580 217.905 235.271 1.00 0.00 C +ATOM 48 CA SER A 48 250.744 218.505 233.235 1.00 0.00 C +TER 49 SER A 48 +END diff --git a/Mammals/Q4ZG82/Q4ZG82.dcd b/Mammals/Q4ZG82/Q4ZG82.dcd new file mode 100644 index 0000000000000000000000000000000000000000..2b123a2af1179b7cc77d493dca2fb058cc574312 --- /dev/null +++ b/Mammals/Q4ZG82/Q4ZG82.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a4e482e6a867f455367a248fd1fd40cd187ec176a05c8c7129260d8c1add5387 +size 7400276 diff --git a/Mammals/Q4ZG82/top.pdb b/Mammals/Q4ZG82/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..08fcbe20750fe352800cfdb593daf3c4142b06f4 --- /dev/null +++ b/Mammals/Q4ZG82/top.pdb @@ -0,0 +1,59 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 235.374 261.511 248.360 1.00 0.00 C +ATOM 2 CA SER A 2 235.817 262.793 251.921 1.00 0.00 C +ATOM 3 CA THR A 3 239.134 261.805 253.513 1.00 0.00 C +ATOM 4 CA SER A 4 241.973 261.380 256.019 1.00 0.00 C +ATOM 5 CA ARG A 5 242.826 259.849 259.402 1.00 0.00 C +ATOM 6 CA LYS A 6 241.245 257.376 261.831 1.00 0.00 C +ATOM 7 CA LEU A 7 240.748 253.861 260.449 1.00 0.00 C +ATOM 8 CA LYS A 8 243.344 252.793 257.874 1.00 0.00 C +ATOM 9 CA SER A 9 244.268 255.537 255.397 1.00 0.00 C +ATOM 10 CA HIS A 10 243.360 254.063 252.003 1.00 0.00 C +ATOM 11 CA GLY A 11 244.785 250.531 252.107 1.00 0.00 C +ATOM 12 CA MET A 12 243.310 248.609 249.167 1.00 0.00 C +ATOM 13 CA ARG A 13 240.010 250.066 247.941 1.00 0.00 C +ATOM 14 CA ARG A 14 237.536 252.152 245.930 1.00 0.00 C +ATOM 15 CA SER A 15 238.901 253.960 242.867 1.00 0.00 C +ATOM 16 CA LYS A 16 237.186 253.246 239.541 1.00 0.00 C +ATOM 17 CA SER A 17 233.804 251.495 239.436 1.00 0.00 C +ATOM 18 CA ARG A 18 232.302 248.004 239.720 1.00 0.00 C +ATOM 19 CA SER A 19 233.869 245.782 242.389 1.00 0.00 C +ATOM 20 CA PRO A 20 235.639 244.844 245.630 1.00 0.00 C +ATOM 21 CA HIS A 21 233.141 242.904 247.754 1.00 0.00 C +ATOM 22 CA LYS A 22 233.654 239.200 247.025 1.00 0.00 C +ATOM 23 CA GLY A 23 231.051 236.552 246.171 1.00 0.00 C +ATOM 24 CA VAL A 24 228.519 236.768 249.009 1.00 0.00 C +ATOM 25 CA LYS A 25 230.137 236.785 252.458 1.00 0.00 C +ATOM 26 CA ARG A 26 232.900 238.857 254.068 1.00 0.00 C +ATOM 27 CA GLY A 27 234.296 242.357 254.627 1.00 0.00 C +ATOM 28 CA GLY A 28 236.653 244.946 256.131 1.00 0.00 C +ATOM 29 CA SER A 29 236.994 247.612 258.831 1.00 0.00 C +ATOM 30 CA LYS A 30 238.911 248.270 262.057 1.00 0.00 C +ATOM 31 CA ARG A 31 242.539 247.203 261.593 1.00 0.00 C +ATOM 32 CA LYS A 32 245.483 246.345 259.332 1.00 0.00 C +ATOM 33 CA TYR A 33 247.875 245.297 256.558 1.00 0.00 C +ATOM 34 CA ARG A 34 250.828 243.170 257.685 1.00 0.00 C +ATOM 35 CA LYS A 35 253.369 245.483 259.330 1.00 0.00 C +ATOM 36 CA GLY A 36 253.054 249.032 257.979 1.00 0.00 C +ATOM 37 CA ASN A 37 256.326 250.969 257.739 1.00 0.00 C +ATOM 38 CA LEU A 38 256.234 253.175 254.634 1.00 0.00 C +ATOM 39 CA LYS A 39 256.897 254.364 251.076 1.00 0.00 C +ATOM 40 CA SER A 40 256.850 251.191 248.967 1.00 0.00 C +ATOM 41 CA ARG A 41 257.903 249.913 245.535 1.00 0.00 C +ATOM 42 CA LYS A 42 257.372 251.438 242.084 1.00 0.00 C +ATOM 43 CA ARG A 43 260.191 253.938 241.526 1.00 0.00 C +ATOM 44 CA GLY A 44 263.356 254.497 239.480 1.00 0.00 C +ATOM 45 CA ASP A 45 266.793 255.619 240.683 1.00 0.00 C +ATOM 46 CA ASP A 46 270.070 253.868 241.524 1.00 0.00 C +ATOM 47 CA ALA A 47 272.349 256.566 242.953 1.00 0.00 C +ATOM 48 CA ASN A 48 275.009 254.721 244.962 1.00 0.00 C +ATOM 49 CA ARG A 49 277.786 253.693 242.565 1.00 0.00 C +ATOM 50 CA ASN A 50 278.899 250.053 242.744 1.00 0.00 C +ATOM 51 CA TYR A 51 282.435 250.015 241.327 1.00 0.00 C +ATOM 52 CA ARG A 52 284.163 247.163 243.171 1.00 0.00 C +ATOM 53 CA SER A 53 284.903 247.237 246.907 1.00 0.00 C +ATOM 54 CA HIS A 54 288.224 245.917 248.230 1.00 0.00 C +ATOM 55 CA LEU A 55 289.403 245.224 251.786 1.00 0.00 C +TER 56 LEU A 55 +END diff --git a/Mammals/Q52KI5/Q52KI5.dcd b/Mammals/Q52KI5/Q52KI5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..2372d22610cad6f5e414364a69d7109dff08444f --- /dev/null +++ b/Mammals/Q52KI5/Q52KI5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:227ecd3078736b9277738b7cd023c5583a7602fbbfce846f211c5a651a2c2ed3 +size 49080276 diff --git a/Mammals/Q52KI5/top.pdb b/Mammals/Q52KI5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1a0ea8cbbfa2cb0ef28bb65776b7bb41037bb530 --- /dev/null +++ b/Mammals/Q52KI5/top.pdb @@ -0,0 +1,270 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 210.070 281.431 352.375 1.00 0.00 C +ATOM 2 CA VAL A 2 213.535 282.998 352.149 1.00 0.00 C +ATOM 3 CA GLN A 3 215.065 282.362 348.718 1.00 0.00 C +ATOM 4 CA LYS A 4 216.035 280.071 345.832 1.00 0.00 C +ATOM 5 CA LYS A 5 216.379 278.763 342.271 1.00 0.00 C +ATOM 6 CA GLU A 6 214.381 278.653 339.029 1.00 0.00 C +ATOM 7 CA PRO A 7 213.620 275.748 336.684 1.00 0.00 C +ATOM 8 CA GLY A 8 216.081 272.854 336.972 1.00 0.00 C +ATOM 9 CA ALA A 9 218.926 272.796 339.506 1.00 0.00 C +ATOM 10 CA LYS A 10 219.446 270.054 342.100 1.00 0.00 C +ATOM 11 CA LYS A 11 219.799 270.939 345.789 1.00 0.00 C +ATOM 12 CA GLN A 12 216.318 271.510 347.227 1.00 0.00 C +ATOM 13 CA THR A 13 212.558 271.754 346.660 1.00 0.00 C +ATOM 14 CA THR A 14 210.171 270.623 349.406 1.00 0.00 C +ATOM 15 CA LEU A 15 210.095 271.371 353.141 1.00 0.00 C +ATOM 16 CA PRO A 16 210.216 270.662 356.883 1.00 0.00 C +ATOM 17 CA PHE A 17 213.029 268.817 358.672 1.00 0.00 C +ATOM 18 CA LYS A 18 215.716 267.360 360.946 1.00 0.00 C +ATOM 19 CA PRO A 19 215.438 267.895 364.708 1.00 0.00 C +ATOM 20 CA VAL A 20 216.502 270.817 366.911 1.00 0.00 C +ATOM 21 CA LYS A 21 217.618 269.732 370.388 1.00 0.00 C +ATOM 22 CA LYS A 22 218.329 265.993 370.218 1.00 0.00 C +ATOM 23 CA GLY A 23 221.300 265.392 372.527 1.00 0.00 C +ATOM 24 CA ARG A 24 224.367 267.373 371.440 1.00 0.00 C +ATOM 25 CA LYS A 25 227.904 268.659 370.843 1.00 0.00 C +ATOM 26 CA LYS A 26 231.316 268.626 372.538 1.00 0.00 C +ATOM 27 CA ASN A 27 232.891 271.151 374.917 1.00 0.00 C +ATOM 28 CA PRO A 28 231.635 273.136 377.917 1.00 0.00 C +ATOM 29 CA TRP A 29 228.746 275.606 377.654 1.00 0.00 C +ATOM 30 CA SER A 30 227.807 276.408 374.049 1.00 0.00 C +ATOM 31 CA ASP A 31 227.307 279.014 371.316 1.00 0.00 C +ATOM 32 CA SER A 32 225.771 282.282 372.531 1.00 0.00 C +ATOM 33 CA GLU A 33 227.524 283.210 375.784 1.00 0.00 C +ATOM 34 CA SER A 34 226.263 284.129 379.260 1.00 0.00 C +ATOM 35 CA ASP A 35 225.541 287.852 379.622 1.00 0.00 C +ATOM 36 CA VAL A 36 225.952 291.594 380.214 1.00 0.00 C +ATOM 37 CA SER A 37 227.915 294.096 378.118 1.00 0.00 C +ATOM 38 CA SER A 38 227.283 295.748 374.743 1.00 0.00 C +ATOM 39 CA ASN A 39 229.406 298.912 374.719 1.00 0.00 C +ATOM 40 CA GLU A 40 232.905 300.289 374.111 1.00 0.00 C +ATOM 41 CA SER A 41 235.917 297.964 374.309 1.00 0.00 C +ATOM 42 CA ASN A 42 238.659 295.607 375.508 1.00 0.00 C +ATOM 43 CA VAL A 43 239.304 293.397 378.544 1.00 0.00 C +ATOM 44 CA ASP A 44 240.976 290.299 380.002 1.00 0.00 C +ATOM 45 CA VAL A 45 243.480 287.591 380.957 1.00 0.00 C +ATOM 46 CA PRO A 46 245.894 285.754 378.652 1.00 0.00 C +ATOM 47 CA PRO A 47 247.520 285.019 375.286 1.00 0.00 C +ATOM 48 CA ARG A 48 247.163 286.614 371.844 1.00 0.00 C +ATOM 49 CA GLN A 49 248.905 288.617 369.111 1.00 0.00 C +ATOM 50 CA LYS A 50 251.229 289.106 366.132 1.00 0.00 C +ATOM 51 CA GLU A 51 253.557 292.078 366.648 1.00 0.00 C +ATOM 52 CA GLN A 52 252.734 295.593 365.432 1.00 0.00 C +ATOM 53 CA ARG A 53 251.832 298.976 363.929 1.00 0.00 C +ATOM 54 CA SER A 54 249.037 298.939 361.339 1.00 0.00 C +ATOM 55 CA ALA A 55 249.557 300.265 357.806 1.00 0.00 C +ATOM 56 CA ALA A 56 250.946 298.961 354.506 1.00 0.00 C +ATOM 57 CA ALA A 57 251.890 295.309 353.971 1.00 0.00 C +ATOM 58 CA LYS A 58 253.408 293.769 350.834 1.00 0.00 C +ATOM 59 CA ALA A 59 256.299 293.337 348.389 1.00 0.00 C +ATOM 60 CA LYS A 60 257.606 293.609 344.821 1.00 0.00 C +ATOM 61 CA PHE A 61 256.992 291.441 341.748 1.00 0.00 C +ATOM 62 CA THR A 62 257.793 289.741 338.434 1.00 0.00 C +ATOM 63 CA VAL A 63 260.343 286.940 338.023 1.00 0.00 C +ATOM 64 CA ASP A 64 261.717 284.477 335.462 1.00 0.00 C +ATOM 65 CA LEU A 65 260.485 284.994 331.894 1.00 0.00 C +ATOM 66 CA ASP A 66 262.015 288.241 330.618 1.00 0.00 C +ATOM 67 CA SER A 67 261.334 289.514 327.092 1.00 0.00 C +ATOM 68 CA ASP A 68 257.750 289.428 325.801 1.00 0.00 C +ATOM 69 CA GLU A 69 256.143 292.089 323.599 1.00 0.00 C +ATOM 70 CA ASP A 70 256.054 292.770 319.852 1.00 0.00 C +ATOM 71 CA PHE A 71 258.522 292.099 317.027 1.00 0.00 C +ATOM 72 CA SER A 72 260.560 294.208 314.595 1.00 0.00 C +ATOM 73 CA GLY A 73 261.438 293.455 310.965 1.00 0.00 C +ATOM 74 CA LEU A 74 260.439 294.576 307.464 1.00 0.00 C +ATOM 75 CA ASP A 75 260.060 292.605 304.225 1.00 0.00 C +ATOM 76 CA GLU A 76 256.583 291.573 303.060 1.00 0.00 C +ATOM 77 CA LYS A 77 256.675 288.027 301.668 1.00 0.00 C +ATOM 78 CA ASP A 78 258.949 285.214 300.472 1.00 0.00 C +ATOM 79 CA GLU A 79 260.584 283.468 303.437 1.00 0.00 C +ATOM 80 CA ASP A 80 263.087 280.603 303.235 1.00 0.00 C +ATOM 81 CA GLU A 81 265.651 281.278 300.499 1.00 0.00 C +ATOM 82 CA ASP A 82 266.308 280.288 296.879 1.00 0.00 C +ATOM 83 CA PHE A 83 263.363 281.175 294.631 1.00 0.00 C +ATOM 84 CA LEU A 84 261.997 281.726 291.117 1.00 0.00 C +ATOM 85 CA PRO A 85 263.405 282.177 287.605 1.00 0.00 C +ATOM 86 CA LEU A 86 264.738 282.224 284.037 1.00 0.00 C +ATOM 87 CA ASP A 87 262.597 282.707 280.923 1.00 0.00 C +ATOM 88 CA ALA A 88 261.383 282.102 277.363 1.00 0.00 C +ATOM 89 CA THR A 89 263.579 280.408 274.750 1.00 0.00 C +ATOM 90 CA PRO A 90 265.484 280.562 271.454 1.00 0.00 C +ATOM 91 CA PRO A 91 267.970 278.924 269.076 1.00 0.00 C +ATOM 92 CA LYS A 92 269.134 281.780 266.838 1.00 0.00 C +ATOM 93 CA ALA A 93 271.518 284.748 266.991 1.00 0.00 C +ATOM 94 CA LYS A 94 272.418 287.867 268.985 1.00 0.00 C +ATOM 95 CA ILE A 95 269.545 290.319 268.486 1.00 0.00 C +ATOM 96 CA PRO A 96 266.445 288.714 266.958 1.00 0.00 C +ATOM 97 CA PRO A 97 264.078 289.717 264.146 1.00 0.00 C +ATOM 98 CA LYS A 98 263.581 286.973 261.550 1.00 0.00 C +ATOM 99 CA ASN A 99 264.452 283.380 260.632 1.00 0.00 C +ATOM 100 CA THR A 100 267.761 281.512 260.911 1.00 0.00 C +ATOM 101 CA LYS A 101 268.726 279.147 258.084 1.00 0.00 C +ATOM 102 CA LYS A 102 271.896 280.471 256.437 1.00 0.00 C +ATOM 103 CA ALA A 103 275.012 281.255 254.390 1.00 0.00 C +ATOM 104 CA LEU A 104 275.140 281.613 250.598 1.00 0.00 C +ATOM 105 CA LYS A 105 276.376 283.312 247.420 1.00 0.00 C +ATOM 106 CA THR A 106 275.926 281.332 244.196 1.00 0.00 C +ATOM 107 CA GLN A 107 276.443 282.156 240.513 1.00 0.00 C +ATOM 108 CA GLY A 108 276.243 282.122 236.708 1.00 0.00 C +ATOM 109 CA SER A 109 276.583 283.752 233.281 1.00 0.00 C +ATOM 110 CA SER A 110 273.780 282.965 230.823 1.00 0.00 C +ATOM 111 CA MET A 111 272.698 282.346 227.223 1.00 0.00 C +ATOM 112 CA SER A 112 273.681 279.934 224.442 1.00 0.00 C +ATOM 113 CA VAL A 113 272.046 276.508 224.119 1.00 0.00 C +ATOM 114 CA ASP A 114 272.778 272.807 223.587 1.00 0.00 C +ATOM 115 CA LEU A 115 275.791 272.783 221.255 1.00 0.00 C +ATOM 116 CA GLU A 116 276.826 275.190 218.488 1.00 0.00 C +ATOM 117 CA SER A 117 276.407 276.436 214.912 1.00 0.00 C +ATOM 118 CA ASP A 118 279.514 278.050 213.409 1.00 0.00 C +ATOM 119 CA VAL A 119 280.613 275.933 210.438 1.00 0.00 C +ATOM 120 CA LYS A 120 279.140 272.419 210.453 1.00 0.00 C +ATOM 121 CA ASP A 121 276.195 270.418 209.095 1.00 0.00 C +ATOM 122 CA SER A 122 275.020 269.354 205.631 1.00 0.00 C +ATOM 123 CA VAL A 123 274.072 266.862 202.909 1.00 0.00 C +ATOM 124 CA PRO A 124 271.719 267.301 199.945 1.00 0.00 C +ATOM 125 CA ALA A 125 268.551 269.416 200.006 1.00 0.00 C +ATOM 126 CA SER A 126 265.187 268.501 198.471 1.00 0.00 C +ATOM 127 CA PRO A 127 263.115 270.954 196.421 1.00 0.00 C +ATOM 128 CA GLY A 128 262.755 271.820 192.729 1.00 0.00 C +ATOM 129 CA VAL A 129 261.241 271.741 189.233 1.00 0.00 C +ATOM 130 CA PRO A 130 261.607 275.257 187.811 1.00 0.00 C +ATOM 131 CA ALA A 131 262.433 278.372 189.842 1.00 0.00 C +ATOM 132 CA ALA A 132 260.891 281.693 190.894 1.00 0.00 C +ATOM 133 CA ASP A 133 260.505 284.732 193.160 1.00 0.00 C +ATOM 134 CA PHE A 134 258.117 284.512 196.120 1.00 0.00 C +ATOM 135 CA PRO A 135 255.739 287.468 195.770 1.00 0.00 C +ATOM 136 CA ALA A 136 252.693 289.674 195.158 1.00 0.00 C +ATOM 137 CA GLU A 137 249.282 289.135 196.768 1.00 0.00 C +ATOM 138 CA THR A 138 246.298 291.025 195.340 1.00 0.00 C +ATOM 139 CA GLU A 139 243.517 289.924 192.980 1.00 0.00 C +ATOM 140 CA GLN A 140 244.286 291.612 189.652 1.00 0.00 C +ATOM 141 CA SER A 141 243.408 289.140 186.889 1.00 0.00 C +ATOM 142 CA LYS A 142 245.922 289.608 184.065 1.00 0.00 C +ATOM 143 CA PRO A 143 244.413 290.106 180.602 1.00 0.00 C +ATOM 144 CA SER A 144 240.739 290.865 179.934 1.00 0.00 C +ATOM 145 CA LYS A 145 237.090 291.415 178.987 1.00 0.00 C +ATOM 146 CA LYS A 146 234.692 288.563 178.191 1.00 0.00 C +ATOM 147 CA THR A 147 232.002 287.183 175.872 1.00 0.00 C +ATOM 148 CA VAL A 148 230.539 284.265 173.907 1.00 0.00 C +ATOM 149 CA GLY A 149 228.465 281.402 172.486 1.00 0.00 C +ATOM 150 CA VAL A 150 227.658 278.224 174.427 1.00 0.00 C +ATOM 151 CA LYS A 151 228.411 274.826 172.877 1.00 0.00 C +ATOM 152 CA LYS A 152 225.675 274.229 170.293 1.00 0.00 C +ATOM 153 CA THR A 153 224.626 271.228 168.194 1.00 0.00 C +ATOM 154 CA ALA A 154 223.969 270.328 164.551 1.00 0.00 C +ATOM 155 CA THR A 155 226.466 268.795 162.115 1.00 0.00 C +ATOM 156 CA LYS A 156 227.781 266.350 159.506 1.00 0.00 C +ATOM 157 CA SER A 157 226.356 262.854 158.992 1.00 0.00 C +ATOM 158 CA GLN A 158 223.186 261.100 160.172 1.00 0.00 C +ATOM 159 CA SER A 159 220.565 259.516 162.438 1.00 0.00 C +ATOM 160 CA SER A 160 221.482 256.133 163.931 1.00 0.00 C +ATOM 161 CA VAL A 161 223.825 254.471 166.434 1.00 0.00 C +ATOM 162 CA SER A 162 226.851 254.162 168.728 1.00 0.00 C +ATOM 163 CA THR A 163 228.629 256.187 171.422 1.00 0.00 C +ATOM 164 CA ALA A 164 231.781 257.643 172.991 1.00 0.00 C +ATOM 165 CA GLY A 165 235.013 259.620 172.588 1.00 0.00 C +ATOM 166 CA THR A 166 238.649 260.071 171.546 1.00 0.00 C +ATOM 167 CA LYS A 167 238.710 262.476 168.591 1.00 0.00 C +ATOM 168 CA LYS A 168 239.547 261.171 165.111 1.00 0.00 C +ATOM 169 CA ARG A 169 238.324 257.562 165.142 1.00 0.00 C +ATOM 170 CA ALA A 170 239.115 253.888 165.765 1.00 0.00 C +ATOM 171 CA ALA A 171 241.665 251.198 166.651 1.00 0.00 C +ATOM 172 CA PRO A 172 241.540 248.240 169.048 1.00 0.00 C +ATOM 173 CA LYS A 173 240.465 246.330 172.165 1.00 0.00 C +ATOM 174 CA GLY A 174 242.065 247.473 175.428 1.00 0.00 C +ATOM 175 CA THR A 175 243.729 244.667 177.395 1.00 0.00 C +ATOM 176 CA LYS A 176 247.051 243.247 176.186 1.00 0.00 C +ATOM 177 CA SER A 177 247.569 239.807 174.632 1.00 0.00 C +ATOM 178 CA ASP A 178 246.994 236.270 175.926 1.00 0.00 C +ATOM 179 CA SER A 179 244.466 234.506 178.165 1.00 0.00 C +ATOM 180 CA ALA A 180 241.271 232.549 178.857 1.00 0.00 C +ATOM 181 CA LEU A 181 241.228 230.684 182.179 1.00 0.00 C +ATOM 182 CA SER A 182 240.300 228.580 185.217 1.00 0.00 C +ATOM 183 CA ALA A 183 239.419 225.023 184.175 1.00 0.00 C +ATOM 184 CA ARG A 184 236.974 222.112 184.425 1.00 0.00 C +ATOM 185 CA VAL A 185 234.762 219.510 182.736 1.00 0.00 C +ATOM 186 CA SER A 186 236.016 216.065 183.773 1.00 0.00 C +ATOM 187 CA GLU A 187 234.542 212.623 183.067 1.00 0.00 C +ATOM 188 CA LYS A 188 230.795 212.370 183.705 1.00 0.00 C +ATOM 189 CA PRO A 189 228.085 209.718 183.328 1.00 0.00 C +ATOM 190 CA ALA A 190 224.815 211.059 181.905 1.00 0.00 C +ATOM 191 CA PRO A 191 225.031 214.525 180.338 1.00 0.00 C +ATOM 192 CA ALA A 192 224.635 218.231 181.128 1.00 0.00 C +ATOM 193 CA LYS A 193 221.882 220.271 179.461 1.00 0.00 C +ATOM 194 CA ALA A 194 220.951 219.439 175.862 1.00 0.00 C +ATOM 195 CA LYS A 195 223.562 217.830 173.601 1.00 0.00 C +ATOM 196 CA ASN A 196 227.043 219.218 174.287 1.00 0.00 C +ATOM 197 CA SER A 197 230.527 219.114 172.748 1.00 0.00 C +ATOM 198 CA ARG A 198 231.074 220.007 169.085 1.00 0.00 C +ATOM 199 CA LYS A 199 231.004 217.379 166.327 1.00 0.00 C +ATOM 200 CA ARG A 200 228.614 214.449 166.797 1.00 0.00 C +ATOM 201 CA LYS A 201 228.895 211.662 169.379 1.00 0.00 C +ATOM 202 CA PRO A 202 229.645 209.277 172.254 1.00 0.00 C +ATOM 203 CA SER A 203 226.483 207.584 173.540 1.00 0.00 C +ATOM 204 CA SER A 204 224.551 205.300 175.900 1.00 0.00 C +ATOM 205 CA SER A 205 222.526 202.461 177.434 1.00 0.00 C +ATOM 206 CA ASP A 206 224.062 200.301 180.170 1.00 0.00 C +ATOM 207 CA SER A 207 224.511 198.654 183.577 1.00 0.00 C +ATOM 208 CA SER A 208 227.217 200.498 185.525 1.00 0.00 C +ATOM 209 CA ASP A 209 227.674 200.406 189.307 1.00 0.00 C +ATOM 210 CA SER A 210 229.905 199.840 192.343 1.00 0.00 C +ATOM 211 CA ASP A 211 232.978 197.654 191.801 1.00 0.00 C +ATOM 212 CA PHE A 212 232.942 194.727 194.240 1.00 0.00 C +ATOM 213 CA GLU A 213 235.277 194.653 197.250 1.00 0.00 C +ATOM 214 CA ARG A 214 236.019 195.539 200.880 1.00 0.00 C +ATOM 215 CA ALA A 215 237.632 196.938 204.035 1.00 0.00 C +ATOM 216 CA ILE A 216 240.859 195.630 205.583 1.00 0.00 C +ATOM 217 CA SER A 217 241.833 192.196 206.913 1.00 0.00 C +ATOM 218 CA LYS A 218 239.809 190.594 209.716 1.00 0.00 C +ATOM 219 CA GLY A 219 239.872 187.094 211.221 1.00 0.00 C +ATOM 220 CA ALA A 220 240.783 183.402 211.449 1.00 0.00 C +ATOM 221 CA THR A 221 244.169 182.359 212.850 1.00 0.00 C +ATOM 222 CA SER A 222 247.926 182.653 212.288 1.00 0.00 C +ATOM 223 CA LYS A 223 250.943 180.801 210.880 1.00 0.00 C +ATOM 224 CA LYS A 224 254.386 181.619 212.291 1.00 0.00 C +ATOM 225 CA ALA A 225 257.553 183.515 213.239 1.00 0.00 C +ATOM 226 CA LYS A 226 258.667 186.496 211.145 1.00 0.00 C +ATOM 227 CA GLY A 227 262.367 186.091 210.330 1.00 0.00 C +ATOM 228 CA GLU A 228 263.922 185.198 206.968 1.00 0.00 C +ATOM 229 CA GLU A 229 267.483 183.845 206.867 1.00 0.00 C +ATOM 230 CA GLN A 230 269.374 182.856 210.023 1.00 0.00 C +ATOM 231 CA ASP A 231 272.403 184.911 211.082 1.00 0.00 C +ATOM 232 CA PHE A 232 274.263 186.763 208.321 1.00 0.00 C +ATOM 233 CA PRO A 233 274.546 190.536 207.873 1.00 0.00 C +ATOM 234 CA VAL A 234 276.833 193.435 208.812 1.00 0.00 C +ATOM 235 CA ASP A 235 275.294 196.565 210.345 1.00 0.00 C +ATOM 236 CA LEU A 236 271.891 196.916 212.022 1.00 0.00 C +ATOM 237 CA GLU A 237 271.079 193.425 213.312 1.00 0.00 C +ATOM 238 CA ASP A 238 271.584 190.953 216.167 1.00 0.00 C +ATOM 239 CA THR A 239 274.220 189.257 218.334 1.00 0.00 C +ATOM 240 CA ILE A 240 276.620 188.483 221.190 1.00 0.00 C +ATOM 241 CA ALA A 241 279.954 189.188 222.892 1.00 0.00 C +ATOM 242 CA PRO A 242 282.290 186.188 223.142 1.00 0.00 C +ATOM 243 CA ARG A 243 284.249 183.141 224.323 1.00 0.00 C +ATOM 244 CA ALA A 244 286.279 180.117 225.440 1.00 0.00 C +ATOM 245 CA LYS A 245 288.890 177.710 224.058 1.00 0.00 C +ATOM 246 CA SER A 246 291.552 177.257 226.746 1.00 0.00 C +ATOM 247 CA ASP A 247 292.750 173.641 226.684 1.00 0.00 C +ATOM 248 CA ARG A 248 293.332 171.381 229.695 1.00 0.00 C +ATOM 249 CA ALA A 249 295.534 168.344 229.029 1.00 0.00 C +ATOM 250 CA ARG A 250 296.293 164.950 227.474 1.00 0.00 C +ATOM 251 CA LYS A 251 298.642 162.438 225.835 1.00 0.00 C +ATOM 252 CA PRO A 252 301.281 164.314 223.826 1.00 0.00 C +ATOM 253 CA ILE A 253 300.810 163.039 220.267 1.00 0.00 C +ATOM 254 CA LYS A 254 298.499 164.655 217.704 1.00 0.00 C +ATOM 255 CA TYR A 255 295.718 166.894 216.374 1.00 0.00 C +ATOM 256 CA LEU A 256 291.932 166.598 216.672 1.00 0.00 C +ATOM 257 CA GLU A 257 289.215 164.683 214.809 1.00 0.00 C +ATOM 258 CA GLU A 258 286.768 161.838 215.468 1.00 0.00 C +ATOM 259 CA SER A 259 283.009 162.382 215.770 1.00 0.00 C +ATOM 260 CA ASP A 260 281.743 162.042 219.347 1.00 0.00 C +ATOM 261 CA ASP A 261 280.612 159.411 221.860 1.00 0.00 C +ATOM 262 CA ASP A 262 280.416 155.668 221.177 1.00 0.00 C +ATOM 263 CA ASP A 263 283.069 153.491 219.522 1.00 0.00 C +ATOM 264 CA ASP A 264 285.735 152.312 217.069 1.00 0.00 C +ATOM 265 CA LEU A 265 285.605 153.244 213.377 1.00 0.00 C +ATOM 266 CA PHE A 266 286.019 156.282 211.115 1.00 0.00 C +TER 267 PHE A 266 +END diff --git a/Mammals/Q52T71/Q52T71.dcd b/Mammals/Q52T71/Q52T71.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e1da935184252c218112437ac4279812c55a2b7f --- /dev/null +++ b/Mammals/Q52T71/Q52T71.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7542e6a65e2fffa167f3967bf975b7fbd431aaeb9ffb7b713312556ac63d2b10 +size 9560276 diff --git a/Mammals/Q52T71/top.pdb b/Mammals/Q52T71/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d00acd01a956db9fc4764d1f62887fa98e1e626a --- /dev/null +++ b/Mammals/Q52T71/top.pdb @@ -0,0 +1,77 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LYS A 1 254.610 225.004 220.282 1.00 0.00 C +ATOM 2 CA GLY A 2 253.963 223.160 223.553 1.00 0.00 C +ATOM 3 CA GLU A 3 250.967 221.499 225.220 1.00 0.00 C +ATOM 4 CA LYS A 4 248.172 221.438 227.809 1.00 0.00 C +ATOM 5 CA LEU A 5 245.176 219.344 226.734 1.00 0.00 C +ATOM 6 CA VAL A 6 241.532 219.922 225.781 1.00 0.00 C +ATOM 7 CA SER A 7 238.687 218.633 227.961 1.00 0.00 C +ATOM 8 CA ARG A 8 235.962 220.350 229.997 1.00 0.00 C +ATOM 9 CA ALA A 9 235.483 222.132 233.331 1.00 0.00 C +ATOM 10 CA ALA A 10 233.612 223.890 236.146 1.00 0.00 C +ATOM 11 CA ALA A 11 235.637 225.946 238.633 1.00 0.00 C +ATOM 12 CA MET A 12 236.598 223.784 241.620 1.00 0.00 C +ATOM 13 CA PRO A 13 233.467 222.120 243.014 1.00 0.00 C +ATOM 14 CA THR A 14 232.134 220.983 246.398 1.00 0.00 C +ATOM 15 CA PRO A 15 231.914 221.249 250.192 1.00 0.00 C +ATOM 16 CA ALA A 16 234.616 221.301 252.878 1.00 0.00 C +ATOM 17 CA GLY A 17 236.755 224.445 252.656 1.00 0.00 C +ATOM 18 CA LYS A 18 238.059 227.304 250.501 1.00 0.00 C +ATOM 19 CA ARG A 19 239.116 227.076 246.848 1.00 0.00 C +ATOM 20 CA ASP A 20 241.908 226.999 244.257 1.00 0.00 C +ATOM 21 CA CYS A 21 244.963 225.725 246.144 1.00 0.00 C +ATOM 22 CA GLY A 22 247.286 228.399 247.547 1.00 0.00 C +ATOM 23 CA LYS A 23 250.039 230.620 248.960 1.00 0.00 C +ATOM 24 CA GLY A 24 252.969 232.872 248.030 1.00 0.00 C +ATOM 25 CA SER A 25 255.550 234.756 245.956 1.00 0.00 C +ATOM 26 CA THR A 26 258.479 236.722 247.395 1.00 0.00 C +ATOM 27 CA ALA A 27 257.059 240.055 248.573 1.00 0.00 C +ATOM 28 CA PRO A 28 255.207 241.906 251.341 1.00 0.00 C +ATOM 29 CA GLY A 29 252.703 241.680 254.203 1.00 0.00 C +ATOM 30 CA GLN A 30 250.935 239.458 256.744 1.00 0.00 C +ATOM 31 CA GLU A 31 247.812 241.093 258.190 1.00 0.00 C +ATOM 32 CA GLY A 32 248.884 244.468 259.595 1.00 0.00 C +ATOM 33 CA HIS A 33 247.034 247.763 259.110 1.00 0.00 C +ATOM 34 CA PRO A 34 248.588 251.242 259.141 1.00 0.00 C +ATOM 35 CA THR A 35 250.180 251.802 255.725 1.00 0.00 C +ATOM 36 CA SER A 36 253.568 253.365 256.497 1.00 0.00 C +ATOM 37 CA GLY A 37 254.175 256.697 258.242 1.00 0.00 C +ATOM 38 CA GLU A 38 254.665 259.628 260.625 1.00 0.00 C +ATOM 39 CA ALA A 39 257.224 260.122 263.404 1.00 0.00 C +ATOM 40 CA ARG A 40 256.930 261.177 267.053 1.00 0.00 C +ATOM 41 CA LYS A 41 257.904 259.808 270.473 1.00 0.00 C +ATOM 42 CA THR A 42 256.849 261.910 273.470 1.00 0.00 C +ATOM 43 CA ALA A 43 256.632 265.695 273.850 1.00 0.00 C +ATOM 44 CA ALA A 44 253.648 267.004 271.875 1.00 0.00 C +ATOM 45 CA LEU A 45 251.160 269.139 273.817 1.00 0.00 C +ATOM 46 CA SER A 46 248.584 266.756 275.300 1.00 0.00 C +ATOM 47 CA GLU A 47 245.419 265.898 273.360 1.00 0.00 C +ATOM 48 CA MET A 48 246.442 264.027 270.203 1.00 0.00 C +ATOM 49 CA SER A 49 243.942 263.967 267.328 1.00 0.00 C +ATOM 50 CA THR A 50 241.534 261.638 265.514 1.00 0.00 C +ATOM 51 CA GLY A 51 238.887 263.536 263.537 1.00 0.00 C +ATOM 52 CA GLU A 52 236.413 264.259 260.731 1.00 0.00 C +ATOM 53 CA GLU A 53 237.438 265.646 257.334 1.00 0.00 C +ATOM 54 CA ASN A 54 241.109 266.521 256.810 1.00 0.00 C +ATOM 55 CA SER A 55 243.690 269.323 256.856 1.00 0.00 C +ATOM 56 CA SER A 56 246.807 271.437 257.434 1.00 0.00 C +ATOM 57 CA SER A 57 247.703 273.214 254.186 1.00 0.00 C +ATOM 58 CA ASP A 58 251.501 273.312 253.897 1.00 0.00 C +ATOM 59 CA SER A 59 255.022 274.766 253.975 1.00 0.00 C +ATOM 60 CA ASP A 60 257.764 275.715 251.506 1.00 0.00 C +ATOM 61 CA PRO A 61 258.590 273.539 248.489 1.00 0.00 C +ATOM 62 CA ASP A 62 260.609 270.484 249.542 1.00 0.00 C +ATOM 63 CA SER A 63 263.711 268.479 250.474 1.00 0.00 C +ATOM 64 CA ALA A 64 266.503 268.072 247.914 1.00 0.00 C +ATOM 65 CA SER A 65 266.629 268.817 244.179 1.00 0.00 C +ATOM 66 CA LEU A 66 263.341 270.565 243.371 1.00 0.00 C +ATOM 67 CA PRO A 67 263.576 274.064 241.883 1.00 0.00 C +ATOM 68 CA SER A 68 263.695 277.860 241.572 1.00 0.00 C +ATOM 69 CA ALA A 69 265.743 280.083 239.253 1.00 0.00 C +ATOM 70 CA GLY A 70 266.660 281.412 235.802 1.00 0.00 C +ATOM 71 CA GLN A 71 269.142 281.111 232.927 1.00 0.00 C +ATOM 72 CA ASN A 72 269.913 278.651 230.121 1.00 0.00 C +ATOM 73 CA LEU A 73 270.827 277.164 226.734 1.00 0.00 C +TER 74 LEU A 73 +END diff --git a/Mammals/Q52ZH3/Q52ZH3.dcd b/Mammals/Q52ZH3/Q52ZH3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f70ba610aba622ebc7b63ee4fd121349605a87f4 --- /dev/null +++ b/Mammals/Q52ZH3/Q52ZH3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b46042ffd4f81482f58ab249ed874b9602eca55bba728a848bf91a7a02c57192 +size 41340276 diff --git a/Mammals/Q52ZH3/top.pdb b/Mammals/Q52ZH3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2bd4ea0c051ebe80d95b9744bedda2315d601649 --- /dev/null +++ b/Mammals/Q52ZH3/top.pdb @@ -0,0 +1,227 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 292.975 291.951 277.767 1.00 0.00 C +ATOM 2 CA SER A 2 290.882 291.653 280.937 1.00 0.00 C +ATOM 3 CA GLN A 3 288.658 290.802 283.911 1.00 0.00 C +ATOM 4 CA PRO A 4 284.984 290.292 283.039 1.00 0.00 C +ATOM 5 CA GLY A 5 281.824 291.818 284.520 1.00 0.00 C +ATOM 6 CA PRO A 6 278.664 290.330 286.043 1.00 0.00 C +ATOM 7 CA LYS A 7 276.445 287.292 286.646 1.00 0.00 C +ATOM 8 CA PRO A 8 277.138 283.679 287.636 1.00 0.00 C +ATOM 9 CA ALA A 9 277.628 280.127 286.348 1.00 0.00 C +ATOM 10 CA ALA A 10 279.003 280.278 282.798 1.00 0.00 C +ATOM 11 CA SER A 11 278.585 283.526 280.849 1.00 0.00 C +ATOM 12 CA PRO A 12 278.412 286.524 278.505 1.00 0.00 C +ATOM 13 CA ARG A 13 279.118 287.958 275.046 1.00 0.00 C +ATOM 14 CA PRO A 14 278.765 288.287 271.267 1.00 0.00 C +ATOM 15 CA ARG A 15 279.323 291.944 270.357 1.00 0.00 C +ATOM 16 CA ARG A 16 278.725 295.611 269.511 1.00 0.00 C +ATOM 17 CA ALA A 17 276.387 295.733 266.505 1.00 0.00 C +ATOM 18 CA ALA A 18 278.204 295.309 263.184 1.00 0.00 C +ATOM 19 CA ARG A 19 277.360 298.056 260.683 1.00 0.00 C +ATOM 20 CA HIS A 20 280.238 300.549 260.547 1.00 0.00 C +ATOM 21 CA THR A 21 281.556 302.214 257.384 1.00 0.00 C +ATOM 22 CA GLN A 22 278.492 303.560 255.563 1.00 0.00 C +ATOM 23 CA GLU A 23 276.352 306.356 257.019 1.00 0.00 C +ATOM 24 CA HIS A 24 273.289 306.868 254.811 1.00 0.00 C +ATOM 25 CA VAL A 25 270.200 307.473 252.665 1.00 0.00 C +ATOM 26 CA SER A 26 269.400 310.936 251.293 1.00 0.00 C +ATOM 27 CA ARG A 27 267.086 310.458 248.303 1.00 0.00 C +ATOM 28 CA LYS A 28 264.828 308.066 246.381 1.00 0.00 C +ATOM 29 CA THR A 29 263.592 309.427 243.044 1.00 0.00 C +ATOM 30 CA SER A 30 263.885 307.089 240.050 1.00 0.00 C +ATOM 31 CA GLY A 31 263.803 303.347 239.334 1.00 0.00 C +ATOM 32 CA SER A 32 264.493 300.085 237.491 1.00 0.00 C +ATOM 33 CA PRO A 33 261.997 297.688 235.897 1.00 0.00 C +ATOM 34 CA SER A 34 261.936 293.923 235.317 1.00 0.00 C +ATOM 35 CA LYS A 35 260.851 291.298 237.855 1.00 0.00 C +ATOM 36 CA SER A 36 263.363 289.801 240.297 1.00 0.00 C +ATOM 37 CA GLY A 37 263.784 286.444 242.049 1.00 0.00 C +ATOM 38 CA GLU A 38 264.798 282.783 242.339 1.00 0.00 C +ATOM 39 CA LYS A 39 263.494 280.357 239.707 1.00 0.00 C +ATOM 40 CA LYS A 40 262.129 281.508 236.341 1.00 0.00 C +ATOM 41 CA GLY A 41 262.525 282.217 232.618 1.00 0.00 C +ATOM 42 CA SER A 42 259.638 281.789 230.169 1.00 0.00 C +ATOM 43 CA ASP A 43 257.196 280.630 227.484 1.00 0.00 C +ATOM 44 CA GLU A 44 254.742 283.512 227.048 1.00 0.00 C +ATOM 45 CA LYS A 45 252.496 286.580 226.821 1.00 0.00 C +ATOM 46 CA LYS A 46 252.411 287.927 230.384 1.00 0.00 C +ATOM 47 CA ALA A 47 254.739 287.950 233.400 1.00 0.00 C +ATOM 48 CA THR A 48 253.808 285.388 236.062 1.00 0.00 C +ATOM 49 CA SER A 49 251.967 284.166 239.166 1.00 0.00 C +ATOM 50 CA LEU A 50 251.049 284.956 242.779 1.00 0.00 C +ATOM 51 CA GLY A 51 253.998 284.274 245.093 1.00 0.00 C +ATOM 52 CA SER A 52 257.697 284.274 244.178 1.00 0.00 C +ATOM 53 CA SER A 53 259.510 284.516 247.520 1.00 0.00 C +ATOM 54 CA GLN A 54 257.090 284.970 250.428 1.00 0.00 C +ATOM 55 CA LEU A 55 257.215 283.100 253.745 1.00 0.00 C +ATOM 56 CA SER A 56 257.949 279.417 254.390 1.00 0.00 C +ATOM 57 CA ARG A 57 257.482 277.778 257.797 1.00 0.00 C +ATOM 58 CA THR A 58 255.289 274.668 257.981 1.00 0.00 C +ATOM 59 CA GLN A 59 253.141 273.909 254.927 1.00 0.00 C +ATOM 60 CA ALA A 60 250.025 275.726 253.704 1.00 0.00 C +ATOM 61 CA ASP A 61 246.283 276.227 254.222 1.00 0.00 C +ATOM 62 CA GLU A 62 242.509 276.643 254.539 1.00 0.00 C +ATOM 63 CA LYS A 63 240.574 278.101 257.480 1.00 0.00 C +ATOM 64 CA ALA A 64 242.475 280.462 259.788 1.00 0.00 C +ATOM 65 CA LEU A 65 245.324 280.924 262.275 1.00 0.00 C +ATOM 66 CA VAL A 66 248.916 280.447 263.453 1.00 0.00 C +ATOM 67 CA PRO A 67 252.220 280.684 261.571 1.00 0.00 C +ATOM 68 CA LYS A 68 254.573 283.346 260.195 1.00 0.00 C +ATOM 69 CA VAL A 69 255.079 287.064 260.854 1.00 0.00 C +ATOM 70 CA THR A 70 257.289 288.109 263.777 1.00 0.00 C +ATOM 71 CA THR A 71 259.136 289.309 266.885 1.00 0.00 C +ATOM 72 CA SER A 72 256.643 289.764 269.730 1.00 0.00 C +ATOM 73 CA SER A 73 253.020 288.585 269.707 1.00 0.00 C +ATOM 74 CA ALA A 74 250.080 286.213 270.207 1.00 0.00 C +ATOM 75 CA SER A 75 250.570 283.638 272.971 1.00 0.00 C +ATOM 76 CA ALA A 76 250.999 281.997 276.383 1.00 0.00 C +ATOM 77 CA SER A 77 251.469 282.842 280.068 1.00 0.00 C +ATOM 78 CA LYS A 78 253.486 284.754 282.675 1.00 0.00 C +ATOM 79 CA SER A 79 257.163 285.343 281.872 1.00 0.00 C +ATOM 80 CA SER A 80 260.194 283.047 281.633 1.00 0.00 C +ATOM 81 CA SER A 81 262.278 283.574 278.487 1.00 0.00 C +ATOM 82 CA MET A 82 265.251 285.232 276.777 1.00 0.00 C +ATOM 83 CA ASN A 83 265.557 287.140 273.493 1.00 0.00 C +ATOM 84 CA PRO A 84 267.761 285.727 270.724 1.00 0.00 C +ATOM 85 CA THR A 85 271.154 284.000 270.858 1.00 0.00 C +ATOM 86 CA GLU A 86 271.631 280.685 269.041 1.00 0.00 C +ATOM 87 CA ALA A 87 273.682 277.508 268.580 1.00 0.00 C +ATOM 88 CA LYS A 88 276.551 275.664 270.278 1.00 0.00 C +ATOM 89 CA ALA A 89 277.115 272.502 268.228 1.00 0.00 C +ATOM 90 CA ILE A 90 274.352 272.218 265.620 1.00 0.00 C +ATOM 91 CA PRO A 91 273.601 269.586 262.970 1.00 0.00 C +ATOM 92 CA GLY A 92 272.680 265.986 262.129 1.00 0.00 C +ATOM 93 CA SER A 93 275.534 263.466 261.991 1.00 0.00 C +ATOM 94 CA LYS A 94 275.681 261.287 258.869 1.00 0.00 C +ATOM 95 CA GLN A 95 277.344 260.369 255.567 1.00 0.00 C +ATOM 96 CA LEU A 96 280.901 260.641 254.230 1.00 0.00 C +ATOM 97 CA GLU A 97 283.154 259.467 257.069 1.00 0.00 C +ATOM 98 CA GLY A 98 282.213 255.820 257.642 1.00 0.00 C +ATOM 99 CA PRO A 99 279.862 253.281 256.049 1.00 0.00 C +ATOM 100 CA HIS A 100 278.975 254.474 252.541 1.00 0.00 C +ATOM 101 CA SER A 101 275.397 255.727 252.159 1.00 0.00 C +ATOM 102 CA PRO A 102 272.336 256.779 254.167 1.00 0.00 C +ATOM 103 CA ASN A 103 269.110 256.447 252.168 1.00 0.00 C +ATOM 104 CA LYS A 104 266.922 253.700 250.690 1.00 0.00 C +ATOM 105 CA LYS A 105 263.257 254.690 250.374 1.00 0.00 C +ATOM 106 CA ARG A 106 261.380 251.497 249.484 1.00 0.00 C +ATOM 107 CA HIS A 107 263.115 248.433 248.027 1.00 0.00 C +ATOM 108 CA LYS A 108 265.867 246.550 249.870 1.00 0.00 C +ATOM 109 CA LYS A 109 267.496 243.194 250.647 1.00 0.00 C +ATOM 110 CA GLN A 110 269.059 243.357 254.117 1.00 0.00 C +ATOM 111 CA ALA A 111 267.242 244.091 257.384 1.00 0.00 C +ATOM 112 CA VAL A 112 263.819 244.341 259.038 1.00 0.00 C +ATOM 113 CA LYS A 113 261.549 241.486 257.938 1.00 0.00 C +ATOM 114 CA THR A 114 261.497 237.735 257.273 1.00 0.00 C +ATOM 115 CA GLU A 115 261.902 237.452 253.495 1.00 0.00 C +ATOM 116 CA PRO A 116 260.404 240.396 251.597 1.00 0.00 C +ATOM 117 CA GLU A 117 257.151 241.620 250.036 1.00 0.00 C +ATOM 118 CA LYS A 118 254.882 244.542 249.123 1.00 0.00 C +ATOM 119 CA LYS A 119 253.145 247.526 247.512 1.00 0.00 C +ATOM 120 CA PRO A 120 256.005 249.786 246.405 1.00 0.00 C +ATOM 121 CA GLN A 121 258.029 252.377 244.480 1.00 0.00 C +ATOM 122 CA SER A 122 258.326 253.711 240.923 1.00 0.00 C +ATOM 123 CA SER A 123 261.559 252.852 239.099 1.00 0.00 C +ATOM 124 CA LYS A 124 261.308 249.774 236.869 1.00 0.00 C +ATOM 125 CA PRO A 125 263.585 247.040 235.506 1.00 0.00 C +ATOM 126 CA SER A 126 266.469 246.308 237.884 1.00 0.00 C +ATOM 127 CA VAL A 127 265.836 245.316 241.508 1.00 0.00 C +ATOM 128 CA VAL A 128 265.311 242.880 244.390 1.00 0.00 C +ATOM 129 CA HIS A 129 261.671 242.246 245.318 1.00 0.00 C +ATOM 130 CA GLU A 130 259.516 243.362 242.381 1.00 0.00 C +ATOM 131 CA LYS A 131 256.027 242.157 241.437 1.00 0.00 C +ATOM 132 CA LYS A 132 253.330 240.367 243.446 1.00 0.00 C +ATOM 133 CA THR A 133 251.247 239.277 246.445 1.00 0.00 C +ATOM 134 CA GLN A 134 249.504 236.085 247.580 1.00 0.00 C +ATOM 135 CA GLU A 135 250.192 233.580 244.793 1.00 0.00 C +ATOM 136 CA VAL A 136 247.804 232.658 241.971 1.00 0.00 C +ATOM 137 CA LYS A 137 245.398 230.308 240.181 1.00 0.00 C +ATOM 138 CA PRO A 138 242.693 231.444 237.749 1.00 0.00 C +ATOM 139 CA LYS A 139 241.311 234.196 235.506 1.00 0.00 C +ATOM 140 CA GLU A 140 237.649 234.763 236.395 1.00 0.00 C +ATOM 141 CA HIS A 141 235.443 233.961 239.396 1.00 0.00 C +ATOM 142 CA THR A 142 232.619 233.936 241.953 1.00 0.00 C +ATOM 143 CA GLU A 143 232.231 232.202 245.324 1.00 0.00 C +ATOM 144 CA PRO A 144 234.740 230.247 247.422 1.00 0.00 C +ATOM 145 CA LYS A 145 236.553 227.083 248.523 1.00 0.00 C +ATOM 146 CA SER A 146 237.582 223.478 249.204 1.00 0.00 C +ATOM 147 CA LEU A 147 234.768 221.291 247.857 1.00 0.00 C +ATOM 148 CA PRO A 148 231.766 220.604 250.101 1.00 0.00 C +ATOM 149 CA LYS A 149 228.446 220.827 248.246 1.00 0.00 C +ATOM 150 CA HIS A 150 225.956 222.800 250.350 1.00 0.00 C +ATOM 151 CA SER A 151 223.815 225.867 251.073 1.00 0.00 C +ATOM 152 CA SER A 152 222.299 228.113 253.751 1.00 0.00 C +ATOM 153 CA ASP A 153 219.353 230.517 253.986 1.00 0.00 C +ATOM 154 CA THR A 154 215.821 230.426 255.412 1.00 0.00 C +ATOM 155 CA GLY A 155 212.874 230.003 257.790 1.00 0.00 C +ATOM 156 CA SER A 156 209.209 231.034 257.922 1.00 0.00 C +ATOM 157 CA LYS A 157 206.513 232.960 256.042 1.00 0.00 C +ATOM 158 CA HIS A 158 204.971 230.841 253.276 1.00 0.00 C +ATOM 159 CA ALA A 159 203.867 227.656 255.051 1.00 0.00 C +ATOM 160 CA PRO A 160 202.995 224.725 257.324 1.00 0.00 C +ATOM 161 CA LYS A 161 205.832 222.214 257.725 1.00 0.00 C +ATOM 162 CA GLU A 162 204.468 218.669 258.032 1.00 0.00 C +ATOM 163 CA LYS A 163 205.012 216.394 255.025 1.00 0.00 C +ATOM 164 CA ALA A 164 204.263 216.487 251.290 1.00 0.00 C +ATOM 165 CA VAL A 165 204.096 213.297 249.214 1.00 0.00 C +ATOM 166 CA SER A 166 203.944 209.495 249.414 1.00 0.00 C +ATOM 167 CA LYS A 167 207.209 207.553 249.706 1.00 0.00 C +ATOM 168 CA SER A 168 209.967 208.242 247.169 1.00 0.00 C +ATOM 169 CA SER A 169 213.355 207.176 248.548 1.00 0.00 C +ATOM 170 CA GLU A 170 217.116 206.569 248.545 1.00 0.00 C +ATOM 171 CA GLN A 171 220.916 206.826 248.432 1.00 0.00 C +ATOM 172 CA PRO A 172 224.207 207.588 250.194 1.00 0.00 C +ATOM 173 CA PRO A 173 226.209 210.823 250.398 1.00 0.00 C +ATOM 174 CA SER A 174 229.987 211.024 249.949 1.00 0.00 C +ATOM 175 CA GLU A 175 232.033 213.987 251.195 1.00 0.00 C +ATOM 176 CA LYS A 176 235.690 214.645 252.035 1.00 0.00 C +ATOM 177 CA SER A 177 238.152 211.739 252.150 1.00 0.00 C +ATOM 178 CA THR A 178 241.786 212.544 251.339 1.00 0.00 C +ATOM 179 CA LYS A 179 243.663 210.159 249.035 1.00 0.00 C +ATOM 180 CA PRO A 180 243.643 209.333 245.316 1.00 0.00 C +ATOM 181 CA LYS A 181 246.634 208.070 243.322 1.00 0.00 C +ATOM 182 CA THR A 182 249.732 210.248 243.741 1.00 0.00 C +ATOM 183 CA LYS A 183 252.871 210.903 241.684 1.00 0.00 C +ATOM 184 CA SER A 184 252.689 212.139 238.084 1.00 0.00 C +ATOM 185 CA GLN A 185 250.311 210.294 235.747 1.00 0.00 C +ATOM 186 CA ASP A 186 248.651 209.721 232.366 1.00 0.00 C +ATOM 187 CA LYS A 187 246.532 206.555 232.419 1.00 0.00 C +ATOM 188 CA ILE A 188 243.194 205.091 233.527 1.00 0.00 C +ATOM 189 CA SER A 189 241.361 204.810 236.855 1.00 0.00 C +ATOM 190 CA GLY A 190 238.973 201.842 236.939 1.00 0.00 C +ATOM 191 CA GLY A 191 236.391 201.510 234.157 1.00 0.00 C +ATOM 192 CA GLY A 192 233.078 199.682 233.710 1.00 0.00 C +ATOM 193 CA LYS A 193 231.977 196.866 236.028 1.00 0.00 C +ATOM 194 CA SER A 194 231.342 196.780 239.784 1.00 0.00 C +ATOM 195 CA THR A 195 228.131 198.758 240.328 1.00 0.00 C +ATOM 196 CA VAL A 196 226.964 200.047 236.938 1.00 0.00 C +ATOM 197 CA PRO A 197 226.380 200.205 233.176 1.00 0.00 C +ATOM 198 CA ALA A 198 225.252 196.710 232.162 1.00 0.00 C +ATOM 199 CA ALA A 199 223.280 194.255 230.016 1.00 0.00 C +ATOM 200 CA ALA A 200 222.833 190.547 230.769 1.00 0.00 C +ATOM 201 CA ALA A 201 223.468 186.897 229.877 1.00 0.00 C +ATOM 202 CA ALA A 202 226.913 186.403 228.327 1.00 0.00 C +ATOM 203 CA ALA A 203 229.972 186.218 226.064 1.00 0.00 C +ATOM 204 CA SER A 204 231.884 189.440 225.370 1.00 0.00 C +ATOM 205 CA ALA A 205 232.383 190.768 221.834 1.00 0.00 C +ATOM 206 CA GLU A 206 232.131 194.566 222.008 1.00 0.00 C +ATOM 207 CA PRO A 207 233.403 198.153 222.174 1.00 0.00 C +ATOM 208 CA ALA A 208 234.772 201.684 222.597 1.00 0.00 C +ATOM 209 CA ASP A 209 234.223 203.109 226.088 1.00 0.00 C +ATOM 210 CA LYS A 210 231.799 204.898 228.421 1.00 0.00 C +ATOM 211 CA ASN A 211 228.088 205.574 227.884 1.00 0.00 C +ATOM 212 CA LYS A 212 227.939 208.325 225.253 1.00 0.00 C +ATOM 213 CA GLU A 213 226.908 211.013 222.757 1.00 0.00 C +ATOM 214 CA ASN A 214 223.346 212.025 221.864 1.00 0.00 C +ATOM 215 CA LYS A 215 221.066 210.695 224.611 1.00 0.00 C +ATOM 216 CA LEU A 216 218.987 209.694 227.643 1.00 0.00 C +ATOM 217 CA LEU A 217 219.611 208.931 231.323 1.00 0.00 C +ATOM 218 CA THR A 218 218.149 206.999 234.264 1.00 0.00 C +ATOM 219 CA SER A 219 215.133 204.922 233.211 1.00 0.00 C +ATOM 220 CA ALA A 220 214.818 202.325 230.442 1.00 0.00 C +ATOM 221 CA VAL A 221 217.657 202.702 227.929 1.00 0.00 C +ATOM 222 CA PRO A 222 221.255 201.527 227.487 1.00 0.00 C +ATOM 223 CA ALA A 223 221.958 199.444 224.375 1.00 0.00 C +TER 224 ALA A 223 +END diff --git a/Mammals/Q53R94/Q53R94.dcd b/Mammals/Q53R94/Q53R94.dcd new file mode 100644 index 0000000000000000000000000000000000000000..73e08c1d21578ce2da479527759b26e1c65e2694 --- /dev/null +++ b/Mammals/Q53R94/Q53R94.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fb7d3af3aa8f578932890be1ab86ae15aeb4324543e09d9c26cdedb4675c7bda +size 23000276 diff --git a/Mammals/Q53R94/top.pdb b/Mammals/Q53R94/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8e35a89134f7e5ed23d1a913cea21882cd881be9 --- /dev/null +++ b/Mammals/Q53R94/top.pdb @@ -0,0 +1,189 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 214.726 169.122 246.100 1.00 0.00 C +ATOM 2 CA GLU A 2 214.444 165.607 247.543 1.00 0.00 C +ATOM 3 CA ASP A 3 217.832 164.711 249.039 1.00 0.00 C +ATOM 4 CA LEU A 4 219.671 165.249 252.332 1.00 0.00 C +ATOM 5 CA ASP A 5 218.419 162.835 255.000 1.00 0.00 C +ATOM 6 CA GLN A 6 216.440 160.081 253.264 1.00 0.00 C +ATOM 7 CA SER A 7 215.208 156.732 254.597 1.00 0.00 C +ATOM 8 CA PRO A 8 215.994 153.107 253.725 1.00 0.00 C +ATOM 9 CA LEU A 9 218.066 153.024 250.529 1.00 0.00 C +ATOM 10 CA VAL A 10 220.905 152.986 247.989 1.00 0.00 C +ATOM 11 CA SER A 11 224.420 154.363 248.503 1.00 0.00 C +ATOM 12 CA SER A 12 226.787 152.515 246.158 1.00 0.00 C +ATOM 13 CA SER A 13 226.371 154.210 242.772 1.00 0.00 C +ATOM 14 CA ASP A 14 224.929 157.602 241.807 1.00 0.00 C +ATOM 15 CA SER A 15 222.865 156.982 238.665 1.00 0.00 C +ATOM 16 CA PRO A 16 222.484 159.839 236.174 1.00 0.00 C +ATOM 17 CA PRO A 17 222.966 163.617 236.086 1.00 0.00 C +ATOM 18 CA ARG A 18 223.898 165.387 232.843 1.00 0.00 C +ATOM 19 CA PRO A 19 226.121 167.067 230.245 1.00 0.00 C +ATOM 20 CA GLN A 20 227.576 167.432 226.743 1.00 0.00 C +ATOM 21 CA PRO A 21 227.275 169.054 223.308 1.00 0.00 C +ATOM 22 CA ALA A 22 224.406 169.107 220.802 1.00 0.00 C +ATOM 23 CA PHE A 23 221.473 171.238 221.973 1.00 0.00 C +ATOM 24 CA LYS A 24 221.129 174.843 220.792 1.00 0.00 C +ATOM 25 CA TYR A 25 223.954 175.924 218.475 1.00 0.00 C +ATOM 26 CA GLN A 26 226.778 173.551 217.523 1.00 0.00 C +ATOM 27 CA PHE A 27 229.632 171.907 215.608 1.00 0.00 C +ATOM 28 CA VAL A 28 232.301 172.655 212.993 1.00 0.00 C +ATOM 29 CA ARG A 29 232.449 171.634 209.326 1.00 0.00 C +ATOM 30 CA GLU A 30 235.983 171.431 207.916 1.00 0.00 C +ATOM 31 CA PRO A 31 238.825 173.703 206.785 1.00 0.00 C +ATOM 32 CA GLU A 32 241.418 175.704 208.731 1.00 0.00 C +ATOM 33 CA ASP A 33 240.614 178.138 211.550 1.00 0.00 C +ATOM 34 CA GLU A 34 239.071 177.359 214.945 1.00 0.00 C +ATOM 35 CA GLU A 35 240.014 174.437 217.201 1.00 0.00 C +ATOM 36 CA GLU A 36 239.867 170.795 216.092 1.00 0.00 C +ATOM 37 CA GLU A 37 236.537 168.978 215.742 1.00 0.00 C +ATOM 38 CA GLU A 38 234.821 167.053 218.547 1.00 0.00 C +ATOM 39 CA GLU A 39 234.055 168.619 221.934 1.00 0.00 C +ATOM 40 CA GLU A 40 235.589 171.692 223.583 1.00 0.00 C +ATOM 41 CA GLU A 41 238.436 173.412 225.440 1.00 0.00 C +ATOM 42 CA GLU A 42 238.903 176.899 226.902 1.00 0.00 C +ATOM 43 CA GLU A 43 240.196 180.361 227.830 1.00 0.00 C +ATOM 44 CA ASP A 44 240.641 183.630 229.736 1.00 0.00 C +ATOM 45 CA GLU A 45 240.933 186.302 232.436 1.00 0.00 C +ATOM 46 CA ASP A 46 241.261 189.672 230.689 1.00 0.00 C +ATOM 47 CA GLU A 47 241.386 193.474 230.905 1.00 0.00 C +ATOM 48 CA ASP A 48 239.011 196.307 231.823 1.00 0.00 C +ATOM 49 CA LEU A 49 236.936 199.446 232.426 1.00 0.00 C +ATOM 50 CA GLU A 50 233.509 200.165 230.923 1.00 0.00 C +ATOM 51 CA GLU A 51 232.083 201.838 227.811 1.00 0.00 C +ATOM 52 CA LEU A 52 232.420 203.016 224.204 1.00 0.00 C +ATOM 53 CA GLU A 53 232.205 206.617 222.981 1.00 0.00 C +ATOM 54 CA VAL A 54 229.757 209.427 222.187 1.00 0.00 C +ATOM 55 CA LEU A 55 229.519 213.031 220.973 1.00 0.00 C +ATOM 56 CA GLU A 56 229.837 216.711 220.039 1.00 0.00 C +ATOM 57 CA ARG A 57 227.342 219.454 219.165 1.00 0.00 C +ATOM 58 CA LYS A 58 224.945 220.046 222.067 1.00 0.00 C +ATOM 59 CA PRO A 59 221.836 221.970 223.139 1.00 0.00 C +ATOM 60 CA ALA A 60 218.627 221.501 221.139 1.00 0.00 C +ATOM 61 CA ALA A 61 217.854 219.126 218.261 1.00 0.00 C +ATOM 62 CA GLY A 62 215.883 215.867 218.178 1.00 0.00 C +ATOM 63 CA LEU A 63 212.219 216.826 218.591 1.00 0.00 C +ATOM 64 CA SER A 64 211.506 220.493 217.840 1.00 0.00 C +ATOM 65 CA ALA A 65 208.875 222.714 219.471 1.00 0.00 C +ATOM 66 CA ALA A 66 208.952 225.533 222.032 1.00 0.00 C +ATOM 67 CA PRO A 67 209.896 229.193 221.548 1.00 0.00 C +ATOM 68 CA VAL A 68 213.324 229.610 219.939 1.00 0.00 C +ATOM 69 CA PRO A 69 215.917 227.465 218.153 1.00 0.00 C +ATOM 70 CA THR A 70 219.459 228.141 216.922 1.00 0.00 C +ATOM 71 CA ALA A 71 221.813 226.365 214.510 1.00 0.00 C +ATOM 72 CA PRO A 72 225.167 224.906 215.576 1.00 0.00 C +ATOM 73 CA ALA A 73 226.645 226.757 218.560 1.00 0.00 C +ATOM 74 CA ALA A 74 228.995 228.809 220.747 1.00 0.00 C +ATOM 75 CA GLY A 75 232.206 229.537 218.830 1.00 0.00 C +ATOM 76 CA ALA A 76 235.670 230.491 217.562 1.00 0.00 C +ATOM 77 CA PRO A 77 239.270 229.737 216.566 1.00 0.00 C +ATOM 78 CA LEU A 78 241.837 231.901 214.765 1.00 0.00 C +ATOM 79 CA MET A 79 244.979 233.371 216.340 1.00 0.00 C +ATOM 80 CA ASP A 80 247.070 235.198 218.949 1.00 0.00 C +ATOM 81 CA PHE A 81 250.358 237.096 219.273 1.00 0.00 C +ATOM 82 CA GLY A 82 250.837 240.597 220.697 1.00 0.00 C +ATOM 83 CA ASN A 83 249.874 241.354 224.305 1.00 0.00 C +ATOM 84 CA ASP A 84 249.076 242.662 227.793 1.00 0.00 C +ATOM 85 CA PHE A 85 248.181 241.195 231.194 1.00 0.00 C +ATOM 86 CA VAL A 86 250.471 241.748 234.188 1.00 0.00 C +ATOM 87 CA PRO A 87 252.510 244.962 234.033 1.00 0.00 C +ATOM 88 CA PRO A 88 251.175 247.162 236.843 1.00 0.00 C +ATOM 89 CA ALA A 89 252.379 248.564 240.175 1.00 0.00 C +ATOM 90 CA PRO A 90 255.562 250.095 241.603 1.00 0.00 C +ATOM 91 CA ARG A 91 259.364 250.342 241.656 1.00 0.00 C +ATOM 92 CA GLY A 92 260.457 253.653 240.120 1.00 0.00 C +ATOM 93 CA PRO A 93 262.463 256.170 238.081 1.00 0.00 C +ATOM 94 CA LEU A 94 266.208 256.440 237.435 1.00 0.00 C +ATOM 95 CA PRO A 95 268.127 257.708 234.397 1.00 0.00 C +ATOM 96 CA ALA A 96 270.895 260.281 233.917 1.00 0.00 C +ATOM 97 CA ALA A 97 274.029 262.049 232.665 1.00 0.00 C +ATOM 98 CA PRO A 98 277.480 262.970 231.340 1.00 0.00 C +ATOM 99 CA PRO A 99 279.802 263.339 228.341 1.00 0.00 C +ATOM 100 CA VAL A 100 281.216 266.741 227.368 1.00 0.00 C +ATOM 101 CA ALA A 101 282.117 270.234 228.592 1.00 0.00 C +ATOM 102 CA PRO A 102 280.671 271.401 231.919 1.00 0.00 C +ATOM 103 CA GLU A 103 277.791 270.160 234.081 1.00 0.00 C +ATOM 104 CA ARG A 104 274.026 270.340 233.526 1.00 0.00 C +ATOM 105 CA GLN A 105 271.081 267.950 233.164 1.00 0.00 C +ATOM 106 CA PRO A 106 268.395 269.951 231.348 1.00 0.00 C +ATOM 107 CA SER A 107 265.821 271.249 233.839 1.00 0.00 C +ATOM 108 CA TRP A 108 262.737 273.486 233.864 1.00 0.00 C +ATOM 109 CA ASP A 109 259.036 273.651 232.975 1.00 0.00 C +ATOM 110 CA PRO A 110 257.390 276.831 234.277 1.00 0.00 C +ATOM 111 CA SER A 111 259.402 279.237 236.440 1.00 0.00 C +ATOM 112 CA PRO A 112 260.880 281.943 238.678 1.00 0.00 C +ATOM 113 CA VAL A 113 262.081 280.101 241.790 1.00 0.00 C +ATOM 114 CA SER A 114 260.988 279.050 245.285 1.00 0.00 C +ATOM 115 CA SER A 115 258.375 281.525 246.536 1.00 0.00 C +ATOM 116 CA THR A 116 254.773 282.142 247.613 1.00 0.00 C +ATOM 117 CA VAL A 117 252.029 284.603 246.647 1.00 0.00 C +ATOM 118 CA PRO A 118 252.539 287.993 248.310 1.00 0.00 C +ATOM 119 CA ALA A 119 251.166 287.856 251.861 1.00 0.00 C +ATOM 120 CA PRO A 120 248.789 289.093 254.569 1.00 0.00 C +ATOM 121 CA SER A 121 245.247 289.838 255.758 1.00 0.00 C +ATOM 122 CA PRO A 122 244.099 286.638 257.478 1.00 0.00 C +ATOM 123 CA LEU A 123 244.338 282.869 257.983 1.00 0.00 C +ATOM 124 CA SER A 124 246.267 282.218 261.204 1.00 0.00 C +ATOM 125 CA ALA A 125 246.273 282.660 264.988 1.00 0.00 C +ATOM 126 CA ALA A 126 248.748 283.621 267.721 1.00 0.00 C +ATOM 127 CA ALA A 127 248.724 287.229 268.943 1.00 0.00 C +ATOM 128 CA VAL A 128 247.109 290.215 270.673 1.00 0.00 C +ATOM 129 CA SER A 129 245.802 291.054 274.153 1.00 0.00 C +ATOM 130 CA PRO A 130 245.969 293.878 276.704 1.00 0.00 C +ATOM 131 CA SER A 131 249.502 295.040 277.533 1.00 0.00 C +ATOM 132 CA LYS A 132 250.686 298.435 278.794 1.00 0.00 C +ATOM 133 CA LEU A 133 253.911 300.037 277.549 1.00 0.00 C +ATOM 134 CA PRO A 134 256.431 301.167 280.174 1.00 0.00 C +ATOM 135 CA GLU A 135 259.307 300.018 282.394 1.00 0.00 C +ATOM 136 CA ASP A 136 262.153 301.289 284.586 1.00 0.00 C +ATOM 137 CA ASP A 137 265.534 303.036 284.408 1.00 0.00 C +ATOM 138 CA GLU A 138 268.142 305.456 285.773 1.00 0.00 C +ATOM 139 CA PRO A 139 268.519 307.602 288.898 1.00 0.00 C +ATOM 140 CA PRO A 140 266.255 306.276 291.660 1.00 0.00 C +ATOM 141 CA ALA A 141 268.270 304.880 294.576 1.00 0.00 C +ATOM 142 CA ARG A 142 270.380 305.176 297.735 1.00 0.00 C +ATOM 143 CA PRO A 143 272.432 303.607 300.536 1.00 0.00 C +ATOM 144 CA PRO A 144 275.100 303.514 303.254 1.00 0.00 C +ATOM 145 CA PRO A 145 278.710 304.071 304.337 1.00 0.00 C +ATOM 146 CA PRO A 146 278.770 307.229 306.468 1.00 0.00 C +ATOM 147 CA PRO A 147 280.150 310.769 306.751 1.00 0.00 C +ATOM 148 CA PRO A 148 282.978 311.109 304.221 1.00 0.00 C +ATOM 149 CA ALA A 149 281.889 309.468 300.960 1.00 0.00 C +ATOM 150 CA SER A 150 281.285 311.285 297.666 1.00 0.00 C +ATOM 151 CA VAL A 151 281.233 313.008 294.268 1.00 0.00 C +ATOM 152 CA SER A 152 278.474 315.305 292.992 1.00 0.00 C +ATOM 153 CA PRO A 153 275.679 312.915 291.998 1.00 0.00 C +ATOM 154 CA GLN A 154 275.151 309.154 292.303 1.00 0.00 C +ATOM 155 CA ALA A 155 276.504 306.877 289.564 1.00 0.00 C +ATOM 156 CA GLU A 156 278.303 303.873 288.061 1.00 0.00 C +ATOM 157 CA PRO A 157 276.308 302.751 285.015 1.00 0.00 C +ATOM 158 CA VAL A 158 275.749 304.323 281.589 1.00 0.00 C +ATOM 159 CA TRP A 159 275.802 308.044 280.775 1.00 0.00 C +ATOM 160 CA THR A 160 275.990 310.136 283.954 1.00 0.00 C +ATOM 161 CA PRO A 161 273.564 313.071 283.807 1.00 0.00 C +ATOM 162 CA PRO A 162 274.495 315.992 281.546 1.00 0.00 C +ATOM 163 CA ALA A 163 274.800 319.000 279.227 1.00 0.00 C +ATOM 164 CA PRO A 164 275.385 322.002 281.498 1.00 0.00 C +ATOM 165 CA ALA A 165 274.887 325.678 280.631 1.00 0.00 C +ATOM 166 CA PRO A 166 277.828 327.607 279.164 1.00 0.00 C +ATOM 167 CA ALA A 167 280.952 329.586 278.251 1.00 0.00 C +ATOM 168 CA ALA A 168 279.980 333.266 278.413 1.00 0.00 C +ATOM 169 CA PRO A 169 280.800 334.631 281.875 1.00 0.00 C +ATOM 170 CA PRO A 170 281.626 336.061 285.308 1.00 0.00 C +ATOM 171 CA SER A 171 280.497 339.002 287.451 1.00 0.00 C +ATOM 172 CA THR A 172 277.590 338.371 289.832 1.00 0.00 C +ATOM 173 CA PRO A 173 274.021 339.127 288.735 1.00 0.00 C +ATOM 174 CA ALA A 174 272.628 342.541 289.696 1.00 0.00 C +ATOM 175 CA ALA A 175 273.606 345.949 291.090 1.00 0.00 C +ATOM 176 CA PRO A 176 274.032 347.167 294.675 1.00 0.00 C +ATOM 177 CA LYS A 177 276.857 348.713 296.711 1.00 0.00 C +ATOM 178 CA ARG A 178 276.314 348.125 300.436 1.00 0.00 C +ATOM 179 CA ARG A 179 277.843 346.201 303.347 1.00 0.00 C +ATOM 180 CA GLY A 180 277.922 344.668 306.834 1.00 0.00 C +ATOM 181 CA SER A 181 279.063 345.694 310.322 1.00 0.00 C +ATOM 182 CA SER A 182 280.587 345.036 313.751 1.00 0.00 C +ATOM 183 CA GLY A 183 283.438 346.826 315.537 1.00 0.00 C +ATOM 184 CA SER A 184 286.501 348.704 314.269 1.00 0.00 C +ATOM 185 CA VAL A 185 288.433 351.376 312.360 1.00 0.00 C +TER 186 VAL A 185 +END diff --git a/Mammals/Q53RS6/Q53RS6.dcd b/Mammals/Q53RS6/Q53RS6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..2cdbb83794b42f3cb7b7066612dd0631f5093425 --- /dev/null +++ b/Mammals/Q53RS6/Q53RS6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2cf57bc12651e7f2d75ee30f530055425c1064d9c8dc9c3703baf277f0b03a9a +size 4400276 diff --git a/Mammals/Q53RS6/top.pdb b/Mammals/Q53RS6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4d4608d484dd4f0151f663fc60ee325c778ffba5 --- /dev/null +++ b/Mammals/Q53RS6/top.pdb @@ -0,0 +1,34 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 262.317 239.295 227.988 1.00 0.00 C +ATOM 2 CA SER A 2 264.491 242.089 229.396 1.00 0.00 C +ATOM 3 CA GLN A 3 264.238 245.803 230.203 1.00 0.00 C +ATOM 4 CA SER A 4 261.251 246.828 232.336 1.00 0.00 C +ATOM 5 CA GLN A 5 257.531 246.112 232.743 1.00 0.00 C +ATOM 6 CA ASN A 6 253.825 246.055 231.861 1.00 0.00 C +ATOM 7 CA ALA A 7 250.788 248.003 233.083 1.00 0.00 C +ATOM 8 CA ILE A 8 249.210 250.136 235.817 1.00 0.00 C +ATOM 9 CA PHE A 9 247.242 253.359 235.310 1.00 0.00 C +ATOM 10 CA THR A 10 244.930 253.529 238.333 1.00 0.00 C +ATOM 11 CA SER A 11 241.924 254.205 240.574 1.00 0.00 C +ATOM 12 CA PRO A 12 240.142 250.843 240.767 1.00 0.00 C +ATOM 13 CA THR A 13 240.658 247.991 243.240 1.00 0.00 C +ATOM 14 CA GLY A 14 241.752 248.729 246.814 1.00 0.00 C +ATOM 15 CA GLU A 15 245.058 250.227 247.973 1.00 0.00 C +ATOM 16 CA GLU A 16 247.707 247.527 248.425 1.00 0.00 C +ATOM 17 CA ASN A 17 249.077 247.090 251.953 1.00 0.00 C +ATOM 18 CA LEU A 18 250.969 244.132 253.434 1.00 0.00 C +ATOM 19 CA MET A 19 252.897 242.157 256.059 1.00 0.00 C +ATOM 20 CA ASN A 20 255.034 244.012 258.611 1.00 0.00 C +ATOM 21 CA SER A 21 253.432 247.384 259.369 1.00 0.00 C +ATOM 22 CA ASN A 22 250.293 249.543 259.305 1.00 0.00 C +ATOM 23 CA HIS A 23 248.073 249.742 262.395 1.00 0.00 C +ATOM 24 CA ARG A 24 245.678 250.611 265.228 1.00 0.00 C +ATOM 25 CA ASP A 25 245.454 253.835 267.247 1.00 0.00 C +ATOM 26 CA SER A 26 246.954 254.740 270.630 1.00 0.00 C +ATOM 27 CA GLU A 27 246.717 257.880 272.775 1.00 0.00 C +ATOM 28 CA SER A 28 249.053 260.527 274.207 1.00 0.00 C +ATOM 29 CA ILE A 29 246.908 263.549 275.091 1.00 0.00 C +ATOM 30 CA THR A 30 246.397 264.067 278.831 1.00 0.00 C +TER 31 THR A 30 +END diff --git a/Mammals/Q53RV5/Q53RV5.dcd b/Mammals/Q53RV5/Q53RV5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..6a0af15789db419d1eaebda6a18cea51413fe330 --- /dev/null +++ b/Mammals/Q53RV5/Q53RV5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:86c59347a4165f4a9c2bf956d2a04d8eac57c58570102eefb866207c0d1fd8e5 +size 6320276 diff --git a/Mammals/Q53RV5/top.pdb b/Mammals/Q53RV5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..6d69cfbd1b4bba733cf3bfc8f5bb51fb1eeea384 --- /dev/null +++ b/Mammals/Q53RV5/top.pdb @@ -0,0 +1,50 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 265.115 230.220 215.784 1.00 0.00 C +ATOM 2 CA GLU A 2 264.359 233.903 216.402 1.00 0.00 C +ATOM 3 CA THR A 3 262.991 235.904 219.342 1.00 0.00 C +ATOM 4 CA GLU A 4 263.725 237.720 222.610 1.00 0.00 C +ATOM 5 CA ALA A 5 260.448 238.369 224.442 1.00 0.00 C +ATOM 6 CA ILE A 6 259.655 238.332 228.168 1.00 0.00 C +ATOM 7 CA ASP A 7 258.998 236.118 231.199 1.00 0.00 C +ATOM 8 CA GLY A 8 260.355 237.002 234.647 1.00 0.00 C +ATOM 9 CA TYR A 9 262.217 238.698 237.506 1.00 0.00 C +ATOM 10 CA ILE A 10 261.320 239.124 241.184 1.00 0.00 C +ATOM 11 CA THR A 11 264.382 240.350 243.093 1.00 0.00 C +ATOM 12 CA CYS A 12 263.676 239.456 246.729 1.00 0.00 C +ATOM 13 CA ASP A 13 261.449 238.979 249.783 1.00 0.00 C +ATOM 14 CA ASN A 14 258.522 236.758 248.773 1.00 0.00 C +ATOM 15 CA GLU A 15 256.243 237.127 245.743 1.00 0.00 C +ATOM 16 CA LEU A 16 254.309 240.150 244.462 1.00 0.00 C +ATOM 17 CA SER A 17 253.705 243.883 244.924 1.00 0.00 C +ATOM 18 CA PRO A 18 251.795 246.661 243.149 1.00 0.00 C +ATOM 19 CA GLU A 19 248.046 246.428 243.787 1.00 0.00 C +ATOM 20 CA ARG A 20 246.112 243.196 244.361 1.00 0.00 C +ATOM 21 CA GLU A 21 242.580 244.037 245.516 1.00 0.00 C +ATOM 22 CA HIS A 22 240.382 244.287 248.618 1.00 0.00 C +ATOM 23 CA SER A 23 237.498 246.105 250.319 1.00 0.00 C +ATOM 24 CA ASN A 24 233.801 246.570 251.113 1.00 0.00 C +ATOM 25 CA MET A 25 232.546 249.114 253.657 1.00 0.00 C +ATOM 26 CA ALA A 26 232.022 251.897 256.205 1.00 0.00 C +ATOM 27 CA ILE A 27 234.229 254.990 256.494 1.00 0.00 C +ATOM 28 CA ASP A 28 237.227 255.161 258.838 1.00 0.00 C +ATOM 29 CA LEU A 29 237.320 251.842 260.706 1.00 0.00 C +ATOM 30 CA THR A 30 240.688 250.198 261.392 1.00 0.00 C +ATOM 31 CA SER A 31 243.562 252.197 262.897 1.00 0.00 C +ATOM 32 CA SER A 32 246.038 252.730 265.743 1.00 0.00 C +ATOM 33 CA THR A 33 245.003 255.483 268.165 1.00 0.00 C +ATOM 34 CA PRO A 34 246.878 256.155 271.413 1.00 0.00 C +ATOM 35 CA ASN A 35 246.471 259.898 271.995 1.00 0.00 C +ATOM 36 CA GLY A 36 244.528 262.683 270.267 1.00 0.00 C +ATOM 37 CA GLN A 37 241.563 261.901 268.005 1.00 0.00 C +ATOM 38 CA HIS A 38 242.735 262.173 264.390 1.00 0.00 C +ATOM 39 CA ALA A 39 240.494 264.305 262.165 1.00 0.00 C +ATOM 40 CA SER A 40 242.821 265.985 259.659 1.00 0.00 C +ATOM 41 CA PRO A 41 246.215 266.386 261.343 1.00 0.00 C +ATOM 42 CA SER A 42 248.168 269.644 261.636 1.00 0.00 C +ATOM 43 CA HIS A 43 251.535 270.343 259.995 1.00 0.00 C +ATOM 44 CA MET A 44 253.321 273.707 259.908 1.00 0.00 C +ATOM 45 CA THR A 45 255.842 275.943 261.685 1.00 0.00 C +ATOM 46 CA SER A 46 259.116 277.889 261.789 1.00 0.00 C +TER 47 SER A 46 +END diff --git a/Mammals/Q53S20/Q53S20.dcd b/Mammals/Q53S20/Q53S20.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a7919536decc2570f038d14805872775b84e4275 --- /dev/null +++ b/Mammals/Q53S20/Q53S20.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:48055b54bf66ad48c453c8b3c588712cebbedab6d71b440c806742c2183e4bdb +size 4880276 diff --git a/Mammals/Q53S20/top.pdb b/Mammals/Q53S20/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b37ef4b99b3f7aa898e1f38488b950ac90c3ddca --- /dev/null +++ b/Mammals/Q53S20/top.pdb @@ -0,0 +1,38 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 242.206 242.174 245.835 1.00 0.00 C +ATOM 2 CA ALA A 2 238.891 241.373 244.136 1.00 0.00 C +ATOM 3 CA PRO A 3 235.679 243.369 243.678 1.00 0.00 C +ATOM 4 CA SER A 4 233.480 242.314 240.751 1.00 0.00 C +ATOM 5 CA PRO A 5 235.571 240.844 237.925 1.00 0.00 C +ATOM 6 CA GLN A 6 239.381 240.895 237.962 1.00 0.00 C +ATOM 7 CA ARG A 7 241.637 243.667 236.641 1.00 0.00 C +ATOM 8 CA GLY A 8 244.970 242.001 235.851 1.00 0.00 C +ATOM 9 CA PHE A 9 246.135 238.998 237.885 1.00 0.00 C +ATOM 10 CA ALA A 10 247.104 238.794 241.564 1.00 0.00 C +ATOM 11 CA GLU A 11 247.773 238.732 245.314 1.00 0.00 C +ATOM 12 CA LEU A 12 249.713 240.917 247.759 1.00 0.00 C +ATOM 13 CA SER A 13 252.505 243.198 246.527 1.00 0.00 C +ATOM 14 CA THR A 14 256.052 243.930 245.345 1.00 0.00 C +ATOM 15 CA GLN A 15 259.795 244.606 245.124 1.00 0.00 C +ATOM 16 CA SER A 16 262.701 243.474 247.313 1.00 0.00 C +ATOM 17 CA PRO A 17 263.007 240.878 250.085 1.00 0.00 C +ATOM 18 CA GLY A 18 263.360 242.755 253.381 1.00 0.00 C +ATOM 19 CA GLY A 19 263.231 246.553 253.653 1.00 0.00 C +ATOM 20 CA GLU A 20 265.735 248.828 251.901 1.00 0.00 C +ATOM 21 CA GLU A 21 265.548 252.221 253.624 1.00 0.00 C +ATOM 22 CA ALA A 22 262.438 252.597 255.792 1.00 0.00 C +ATOM 23 CA ARG A 23 262.083 254.801 258.879 1.00 0.00 C +ATOM 24 CA SER A 24 259.386 257.471 258.547 1.00 0.00 C +ATOM 25 CA ALA A 25 256.077 257.492 256.658 1.00 0.00 C +ATOM 26 CA GLY A 26 254.039 259.473 254.120 1.00 0.00 C +ATOM 27 CA ARG A 27 250.417 259.963 255.194 1.00 0.00 C +ATOM 28 CA HIS A 28 248.573 259.109 258.417 1.00 0.00 C +ATOM 29 CA SER A 29 247.337 262.423 259.834 1.00 0.00 C +ATOM 30 CA VAL A 30 246.434 265.191 262.291 1.00 0.00 C +ATOM 31 CA SER A 31 243.990 268.107 262.096 1.00 0.00 C +ATOM 32 CA SER A 32 240.442 267.223 261.027 1.00 0.00 C +ATOM 33 CA THR A 33 239.035 267.520 257.498 1.00 0.00 C +ATOM 34 CA ARG A 34 235.272 268.108 257.392 1.00 0.00 C +TER 35 ARG A 34 +END diff --git a/Mammals/Q53S31/Q53S31.dcd b/Mammals/Q53S31/Q53S31.dcd new file mode 100644 index 0000000000000000000000000000000000000000..80bfc5b93e66e9eca909f48b99bba20e31cd9a68 --- /dev/null +++ b/Mammals/Q53S31/Q53S31.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ca06afaa86efaf143057975d4bf31ddb10b2e87511010aa1d237688ac01ec1e0 +size 4520276 diff --git a/Mammals/Q53S31/top.pdb b/Mammals/Q53S31/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..edc359b469814894d558e8e398449a9f75607e80 --- /dev/null +++ b/Mammals/Q53S31/top.pdb @@ -0,0 +1,35 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 246.603 259.711 229.222 1.00 0.00 C +ATOM 2 CA SER A 2 245.144 259.968 232.733 1.00 0.00 C +ATOM 3 CA GLU A 3 244.755 259.215 236.447 1.00 0.00 C +ATOM 4 CA LYS A 4 241.939 258.361 238.868 1.00 0.00 C +ATOM 5 CA THR A 5 238.979 256.765 240.658 1.00 0.00 C +ATOM 6 CA GLY A 6 239.969 254.857 243.803 1.00 0.00 C +ATOM 7 CA GLU A 7 242.356 252.691 245.835 1.00 0.00 C +ATOM 8 CA PRO A 8 245.405 250.635 246.830 1.00 0.00 C +ATOM 9 CA ALA A 9 245.928 247.173 248.332 1.00 0.00 C +ATOM 10 CA ALA A 10 246.370 243.389 248.254 1.00 0.00 C +ATOM 11 CA GLU A 11 249.331 241.075 248.880 1.00 0.00 C +ATOM 12 CA ASN A 12 251.893 243.102 250.841 1.00 0.00 C +ATOM 13 CA ARG A 13 254.381 241.536 253.265 1.00 0.00 C +ATOM 14 CA ASP A 14 257.181 238.957 253.425 1.00 0.00 C +ATOM 15 CA LYS A 15 260.451 240.800 252.774 1.00 0.00 C +ATOM 16 CA GLU A 16 263.796 239.921 254.373 1.00 0.00 C +ATOM 17 CA ALA A 17 266.600 240.174 256.940 1.00 0.00 C +ATOM 18 CA SER A 18 265.669 242.483 259.824 1.00 0.00 C +ATOM 19 CA VAL A 19 264.052 245.917 260.146 1.00 0.00 C +ATOM 20 CA ALA A 20 261.917 248.975 259.366 1.00 0.00 C +ATOM 21 CA GLY A 21 258.830 248.979 257.133 1.00 0.00 C +ATOM 22 CA ALA A 22 256.731 252.057 257.929 1.00 0.00 C +ATOM 23 CA GLN A 23 256.236 255.425 256.217 1.00 0.00 C +ATOM 24 CA ILE A 24 252.482 255.975 255.867 1.00 0.00 C +ATOM 25 CA THR A 25 249.789 255.785 253.179 1.00 0.00 C +ATOM 26 CA LEU A 26 247.121 253.368 251.930 1.00 0.00 C +ATOM 27 CA GLN A 27 243.612 252.326 252.986 1.00 0.00 C +ATOM 28 CA THR A 28 241.469 255.448 252.569 1.00 0.00 C +ATOM 29 CA GLN A 29 237.738 254.674 252.522 1.00 0.00 C +ATOM 30 CA THR A 30 236.798 251.913 250.072 1.00 0.00 C +ATOM 31 CA PRO A 31 236.475 248.343 248.780 1.00 0.00 C +TER 32 PRO A 31 +END diff --git a/Mammals/Q53SA3/Q53SA3.dcd b/Mammals/Q53SA3/Q53SA3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8e90f4ecf7d5698b710fb4cd1d2cda189642d03b --- /dev/null +++ b/Mammals/Q53SA3/Q53SA3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:62dba416145914b987b63604cb65493ffbc7288a7eab5a1357af5945d6e657d7 +size 4640276 diff --git a/Mammals/Q53SA3/top.pdb b/Mammals/Q53SA3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f0f8623ffdff6ae60e5b5bb60ade91be237f7221 --- /dev/null +++ b/Mammals/Q53SA3/top.pdb @@ -0,0 +1,36 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ILE A 1 269.562 272.321 251.972 1.00 0.00 C +ATOM 2 CA ASP A 2 267.311 273.247 249.041 1.00 0.00 C +ATOM 3 CA ASP A 3 265.628 270.160 247.571 1.00 0.00 C +ATOM 4 CA LYS A 4 264.296 267.492 245.200 1.00 0.00 C +ATOM 5 CA ARG A 5 261.600 268.733 242.811 1.00 0.00 C +ATOM 6 CA GLY A 6 258.986 268.777 240.039 1.00 0.00 C +ATOM 7 CA PRO A 7 255.305 269.550 239.437 1.00 0.00 C +ATOM 8 CA ASN A 8 252.720 271.006 241.829 1.00 0.00 C +ATOM 9 CA THR A 9 250.476 269.381 244.444 1.00 0.00 C +ATOM 10 CA GLN A 10 248.993 266.695 246.704 1.00 0.00 C +ATOM 11 CA GLY A 11 246.714 265.207 249.369 1.00 0.00 C +ATOM 12 CA GLU A 12 246.817 263.408 252.726 1.00 0.00 C +ATOM 13 CA LEU A 13 243.852 262.908 255.066 1.00 0.00 C +ATOM 14 CA GLN A 14 245.076 260.401 257.661 1.00 0.00 C +ATOM 15 CA ASN A 15 247.891 257.867 258.075 1.00 0.00 C +ATOM 16 CA ALA A 16 249.151 255.078 255.806 1.00 0.00 C +ATOM 17 CA SER A 17 249.539 251.349 255.128 1.00 0.00 C +ATOM 18 CA PRO A 18 248.922 249.421 251.900 1.00 0.00 C +ATOM 19 CA LYS A 19 249.035 245.861 250.546 1.00 0.00 C +ATOM 20 CA GLN A 20 247.381 245.245 247.169 1.00 0.00 C +ATOM 21 CA ARG A 21 245.586 242.231 245.684 1.00 0.00 C +ATOM 22 CA LYS A 22 246.253 239.004 247.596 1.00 0.00 C +ATOM 23 CA GLN A 23 247.017 235.627 249.186 1.00 0.00 C +ATOM 24 CA SER A 24 246.701 232.591 251.466 1.00 0.00 C +ATOM 25 CA VAL A 25 244.025 230.983 253.650 1.00 0.00 C +ATOM 26 CA TYR A 26 241.582 228.071 253.912 1.00 0.00 C +ATOM 27 CA THR A 27 238.822 226.409 251.878 1.00 0.00 C +ATOM 28 CA PRO A 28 239.677 222.735 251.342 1.00 0.00 C +ATOM 29 CA PRO A 29 242.828 221.281 249.769 1.00 0.00 C +ATOM 30 CA THR A 30 246.323 222.133 251.026 1.00 0.00 C +ATOM 31 CA ILE A 31 247.011 223.205 254.617 1.00 0.00 C +ATOM 32 CA LYS A 32 244.921 221.622 257.381 1.00 0.00 C +TER 33 LYS A 32 +END diff --git a/Mammals/Q53SA6/Q53SA6.dcd b/Mammals/Q53SA6/Q53SA6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..47d93f51fa32a212c3e9e24f8e0f9333cfed6d28 --- /dev/null +++ b/Mammals/Q53SA6/Q53SA6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:78602de8df51bd177c1085369de845b0aadaa49fa727934630c5e26cd22a5088 +size 9800276 diff --git a/Mammals/Q53SA6/top.pdb b/Mammals/Q53SA6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..70e3c2096384f94632eaf57301e9f21f1aa5bdec --- /dev/null +++ b/Mammals/Q53SA6/top.pdb @@ -0,0 +1,79 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 216.965 257.576 256.127 1.00 0.00 C +ATOM 2 CA SER A 2 216.779 257.718 252.324 1.00 0.00 C +ATOM 3 CA ASP A 3 215.576 260.619 250.167 1.00 0.00 C +ATOM 4 CA LYS A 4 216.209 264.304 250.901 1.00 0.00 C +ATOM 5 CA SER A 5 219.861 265.352 250.624 1.00 0.00 C +ATOM 6 CA GLU A 6 221.022 266.812 247.302 1.00 0.00 C +ATOM 7 CA LEU A 7 223.754 264.530 245.945 1.00 0.00 C +ATOM 8 CA LYS A 8 225.549 262.510 248.630 1.00 0.00 C +ATOM 9 CA ALA A 9 225.439 258.762 247.953 1.00 0.00 C +ATOM 10 CA GLU A 10 225.314 258.248 244.180 1.00 0.00 C +ATOM 11 CA LEU A 11 223.306 257.168 241.127 1.00 0.00 C +ATOM 12 CA GLU A 12 221.064 256.380 238.149 1.00 0.00 C +ATOM 13 CA ARG A 13 217.680 255.334 236.748 1.00 0.00 C +ATOM 14 CA LYS A 14 217.447 251.531 236.707 1.00 0.00 C +ATOM 15 CA LYS A 15 216.831 247.775 236.870 1.00 0.00 C +ATOM 16 CA GLN A 16 217.163 245.030 234.248 1.00 0.00 C +ATOM 17 CA ARG A 17 220.476 245.799 232.530 1.00 0.00 C +ATOM 18 CA LEU A 18 223.193 248.192 233.716 1.00 0.00 C +ATOM 19 CA ALA A 19 223.669 251.879 232.886 1.00 0.00 C +ATOM 20 CA GLN A 20 226.276 253.875 234.819 1.00 0.00 C +ATOM 21 CA ILE A 21 227.967 256.729 236.693 1.00 0.00 C +ATOM 22 CA ARG A 22 230.838 256.257 239.154 1.00 0.00 C +ATOM 23 CA GLU A 23 233.877 253.966 239.315 1.00 0.00 C +ATOM 24 CA GLU A 24 236.065 251.868 241.623 1.00 0.00 C +ATOM 25 CA LYS A 25 237.891 251.570 244.954 1.00 0.00 C +ATOM 26 CA LYS A 26 236.176 253.753 247.563 1.00 0.00 C +ATOM 27 CA ARG A 27 237.825 256.319 249.847 1.00 0.00 C +ATOM 28 CA LYS A 28 237.793 259.903 251.139 1.00 0.00 C +ATOM 29 CA GLU A 29 238.538 263.526 250.227 1.00 0.00 C +ATOM 30 CA GLU A 30 240.362 266.348 248.429 1.00 0.00 C +ATOM 31 CA GLU A 31 243.465 265.817 246.283 1.00 0.00 C +ATOM 32 CA ARG A 32 244.581 262.191 246.636 1.00 0.00 C +ATOM 33 CA LYS A 33 242.758 258.847 246.729 1.00 0.00 C +ATOM 34 CA LYS A 34 240.298 258.672 243.825 1.00 0.00 C +ATOM 35 CA LYS A 35 240.134 261.693 241.509 1.00 0.00 C +ATOM 36 CA GLU A 36 241.058 260.554 237.993 1.00 0.00 C +ATOM 37 CA THR A 37 239.332 257.353 236.857 1.00 0.00 C +ATOM 38 CA ASP A 38 241.191 254.346 238.279 1.00 0.00 C +ATOM 39 CA GLN A 39 244.601 255.676 239.337 1.00 0.00 C +ATOM 40 CA LYS A 40 248.105 254.398 238.560 1.00 0.00 C +ATOM 41 CA LYS A 41 250.553 251.744 239.778 1.00 0.00 C +ATOM 42 CA GLU A 42 254.037 253.271 240.006 1.00 0.00 C +ATOM 43 CA ALA A 43 257.378 254.376 241.465 1.00 0.00 C +ATOM 44 CA VAL A 44 259.496 251.697 243.155 1.00 0.00 C +ATOM 45 CA ALA A 45 261.020 251.013 246.579 1.00 0.00 C +ATOM 46 CA PRO A 46 260.775 252.060 250.234 1.00 0.00 C +ATOM 47 CA VAL A 47 258.051 252.606 252.841 1.00 0.00 C +ATOM 48 CA GLN A 48 254.283 252.097 252.596 1.00 0.00 C +ATOM 49 CA GLU A 49 252.603 250.015 255.308 1.00 0.00 C +ATOM 50 CA GLU A 50 254.131 246.927 256.936 1.00 0.00 C +ATOM 51 CA SER A 51 257.906 247.269 257.330 1.00 0.00 C +ATOM 52 CA ASP A 52 259.392 243.851 258.118 1.00 0.00 C +ATOM 53 CA LEU A 53 259.231 242.935 261.813 1.00 0.00 C +ATOM 54 CA GLU A 54 260.159 240.210 264.309 1.00 0.00 C +ATOM 55 CA LYS A 55 261.383 237.150 266.221 1.00 0.00 C +ATOM 56 CA LYS A 56 264.742 236.149 267.715 1.00 0.00 C +ATOM 57 CA ARG A 57 265.717 237.905 270.952 1.00 0.00 C +ATOM 58 CA ARG A 58 268.756 237.215 273.144 1.00 0.00 C +ATOM 59 CA GLU A 59 271.408 239.055 275.169 1.00 0.00 C +ATOM 60 CA ALA A 60 274.362 241.425 274.754 1.00 0.00 C +ATOM 61 CA GLU A 61 276.788 242.604 272.064 1.00 0.00 C +ATOM 62 CA ALA A 62 277.027 242.604 268.261 1.00 0.00 C +ATOM 63 CA LEU A 63 279.461 242.072 265.379 1.00 0.00 C +ATOM 64 CA LEU A 64 283.198 241.446 264.984 1.00 0.00 C +ATOM 65 CA GLN A 65 286.724 240.349 264.044 1.00 0.00 C +ATOM 66 CA SER A 66 289.497 242.553 262.642 1.00 0.00 C +ATOM 67 CA MET A 67 292.427 240.779 260.973 1.00 0.00 C +ATOM 68 CA GLY A 68 293.528 239.836 257.450 1.00 0.00 C +ATOM 69 CA LEU A 69 293.631 236.191 256.343 1.00 0.00 C +ATOM 70 CA THR A 70 296.650 233.896 255.982 1.00 0.00 C +ATOM 71 CA PRO A 71 298.421 233.674 252.616 1.00 0.00 C +ATOM 72 CA GLU A 72 298.112 230.267 250.938 1.00 0.00 C +ATOM 73 CA SER A 73 294.650 228.677 250.950 1.00 0.00 C +ATOM 74 CA PRO A 74 293.496 225.111 250.263 1.00 0.00 C +ATOM 75 CA ILE A 75 294.578 221.790 251.785 1.00 0.00 C +TER 76 ILE A 75 +END diff --git a/Mammals/Q53SB4/Q53SB4.dcd b/Mammals/Q53SB4/Q53SB4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..aefe7bbe428369c6e30bff53102c612ce7f67666 --- /dev/null +++ b/Mammals/Q53SB4/Q53SB4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:feccb98ad71b98a2a43d7d67e81e2c6ee834f15ffd4fdc3aaac72b69c843ad8f +size 4520276 diff --git a/Mammals/Q53SB4/top.pdb b/Mammals/Q53SB4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..18bb7dca4de53e62ceb589a9569235f03eb2e42b --- /dev/null +++ b/Mammals/Q53SB4/top.pdb @@ -0,0 +1,35 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 248.435 268.064 270.513 1.00 0.00 C +ATOM 2 CA SER A 2 248.663 264.289 270.055 1.00 0.00 C +ATOM 3 CA SER A 3 245.572 262.936 268.285 1.00 0.00 C +ATOM 4 CA GLN A 4 245.356 263.198 264.490 1.00 0.00 C +ATOM 5 CA SER A 5 246.594 262.678 260.924 1.00 0.00 C +ATOM 6 CA HIS A 6 249.372 260.071 260.895 1.00 0.00 C +ATOM 7 CA PRO A 7 248.773 257.562 263.700 1.00 0.00 C +ATOM 8 CA ASP A 8 248.338 254.090 262.194 1.00 0.00 C +ATOM 9 CA GLY A 9 245.301 254.213 259.896 1.00 0.00 C +ATOM 10 CA LEU A 10 243.569 251.456 257.917 1.00 0.00 C +ATOM 11 CA SER A 11 240.362 249.559 257.119 1.00 0.00 C +ATOM 12 CA GLY A 12 238.407 248.769 253.946 1.00 0.00 C +ATOM 13 CA ARG A 13 237.405 246.759 250.868 1.00 0.00 C +ATOM 14 CA ASP A 14 233.959 245.708 249.630 1.00 0.00 C +ATOM 15 CA GLN A 15 232.683 247.013 246.285 1.00 0.00 C +ATOM 16 CA PRO A 16 234.730 246.345 243.142 1.00 0.00 C +ATOM 17 CA VAL A 17 237.578 248.828 242.652 1.00 0.00 C +ATOM 18 CA GLU A 18 240.015 251.755 242.545 1.00 0.00 C +ATOM 19 CA LEU A 19 243.783 251.821 243.103 1.00 0.00 C +ATOM 20 CA LEU A 20 247.587 251.834 243.321 1.00 0.00 C +ATOM 21 CA ASN A 21 250.369 251.899 240.718 1.00 0.00 C +ATOM 22 CA PRO A 22 253.892 250.791 239.780 1.00 0.00 C +ATOM 23 CA ALA A 23 255.534 247.405 239.186 1.00 0.00 C +ATOM 24 CA ARG A 24 258.787 245.458 238.812 1.00 0.00 C +ATOM 25 CA VAL A 25 261.090 242.476 238.246 1.00 0.00 C +ATOM 26 CA ASN A 26 264.321 242.169 240.242 1.00 0.00 C +ATOM 27 CA HIS A 27 268.044 242.656 239.595 1.00 0.00 C +ATOM 28 CA MET A 28 270.985 240.600 240.876 1.00 0.00 C +ATOM 29 CA PRO A 29 270.369 236.855 241.216 1.00 0.00 C +ATOM 30 CA SER A 30 270.448 233.235 240.031 1.00 0.00 C +ATOM 31 CA THR A 31 269.677 229.510 239.817 1.00 0.00 C +TER 32 THR A 31 +END diff --git a/Mammals/Q53TG3/Q53TG3.dcd b/Mammals/Q53TG3/Q53TG3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c05331975ed21a20aa3b9c3fd5c7bfaac9f50f33 --- /dev/null +++ b/Mammals/Q53TG3/Q53TG3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:195517a747a56ac42ad23278a3f73911b7d27c29130d3794f6a7c569d24c3dad +size 5120276 diff --git a/Mammals/Q53TG3/top.pdb b/Mammals/Q53TG3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a9aef9edd2d9dceaabb17b3c7a70d352c35f0007 --- /dev/null +++ b/Mammals/Q53TG3/top.pdb @@ -0,0 +1,40 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 215.761 264.094 235.168 1.00 0.00 C +ATOM 2 CA GLY A 2 218.283 263.557 237.972 1.00 0.00 C +ATOM 3 CA GLN A 3 221.181 261.727 236.309 1.00 0.00 C +ATOM 4 CA THR A 4 223.652 258.828 236.232 1.00 0.00 C +ATOM 5 CA LYS A 5 223.534 256.063 238.850 1.00 0.00 C +ATOM 6 CA SER A 6 226.887 254.399 239.563 1.00 0.00 C +ATOM 7 CA THR A 7 230.677 254.629 239.875 1.00 0.00 C +ATOM 8 CA SER A 8 232.731 253.619 236.829 1.00 0.00 C +ATOM 9 CA SER A 9 235.913 255.674 236.423 1.00 0.00 C +ATOM 10 CA GLY A 10 239.268 254.516 237.807 1.00 0.00 C +ATOM 11 CA GLY A 11 242.845 254.695 236.508 1.00 0.00 C +ATOM 12 CA GLY A 12 246.619 254.310 236.864 1.00 0.00 C +ATOM 13 CA ASN A 13 249.859 252.489 236.029 1.00 0.00 C +ATOM 14 CA ARG A 14 251.805 250.959 238.925 1.00 0.00 C +ATOM 15 CA LYS A 15 253.357 250.779 242.400 1.00 0.00 C +ATOM 16 CA CYS A 16 254.621 251.122 245.978 1.00 0.00 C +ATOM 17 CA ASN A 17 257.280 253.625 247.064 1.00 0.00 C +ATOM 18 CA GLN A 18 258.145 257.287 246.461 1.00 0.00 C +ATOM 19 CA GLU A 19 260.793 259.924 247.202 1.00 0.00 C +ATOM 20 CA GLN A 20 261.517 260.538 250.892 1.00 0.00 C +ATOM 21 CA SER A 21 260.390 260.395 254.529 1.00 0.00 C +ATOM 22 CA LYS A 22 258.938 258.283 257.348 1.00 0.00 C +ATOM 23 CA ASN A 23 259.552 255.182 259.474 1.00 0.00 C +ATOM 24 CA GLN A 24 262.198 253.042 261.188 1.00 0.00 C +ATOM 25 CA PRO A 25 263.347 249.491 261.951 1.00 0.00 C +ATOM 26 CA LEU A 26 261.519 246.340 263.066 1.00 0.00 C +ATOM 27 CA ASP A 27 260.926 243.573 265.618 1.00 0.00 C +ATOM 28 CA ALA A 28 264.006 241.349 265.904 1.00 0.00 C +ATOM 29 CA ARG A 29 263.772 237.582 265.385 1.00 0.00 C +ATOM 30 CA VAL A 30 262.104 234.814 267.403 1.00 0.00 C +ATOM 31 CA ASP A 31 261.532 231.066 267.022 1.00 0.00 C +ATOM 32 CA LYS A 32 264.488 229.384 265.305 1.00 0.00 C +ATOM 33 CA ILE A 33 265.609 230.630 261.883 1.00 0.00 C +ATOM 34 CA LYS A 34 265.430 234.080 260.276 1.00 0.00 C +ATOM 35 CA ASP A 35 261.786 234.634 259.310 1.00 0.00 C +ATOM 36 CA LYS A 36 259.672 237.323 260.987 1.00 0.00 C +TER 37 LYS A 36 +END diff --git a/Mammals/Q568Z5/Q568Z5.dcd b/Mammals/Q568Z5/Q568Z5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..66ddebaad014f18187c0bc6b763745bb253ed1f2 --- /dev/null +++ b/Mammals/Q568Z5/Q568Z5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b2a780855d027c750781117043036677103779eec6a12c17b46001023aa089ad +size 56280276 diff --git a/Mammals/Q568Z5/top.pdb b/Mammals/Q568Z5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e6d0e3bf89bc995c8089922068ff9959cb3625b6 --- /dev/null +++ b/Mammals/Q568Z5/top.pdb @@ -0,0 +1,310 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 810.000 810.000 810.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 366.088 471.542 306.086 1.00 0.00 C +ATOM 2 CA SER A 2 369.299 471.602 308.135 1.00 0.00 C +ATOM 3 CA ASN A 3 372.580 469.667 308.217 1.00 0.00 C +ATOM 4 CA ASN A 4 376.237 468.750 308.768 1.00 0.00 C +ATOM 5 CA PHE A 5 379.459 468.488 310.784 1.00 0.00 C +ATOM 6 CA SER A 6 378.786 467.366 314.362 1.00 0.00 C +ATOM 7 CA SER A 7 377.826 464.569 316.765 1.00 0.00 C +ATOM 8 CA ARG A 8 374.537 463.025 315.619 1.00 0.00 C +ATOM 9 CA ARG A 9 371.508 462.182 317.772 1.00 0.00 C +ATOM 10 CA ASP A 10 368.140 460.792 316.658 1.00 0.00 C +ATOM 11 CA ASP A 11 368.046 457.002 316.279 1.00 0.00 C +ATOM 12 CA PRO A 12 367.789 453.320 317.223 1.00 0.00 C +ATOM 13 CA TYR A 13 369.614 450.254 315.886 1.00 0.00 C +ATOM 14 CA TRP A 14 373.221 449.841 317.041 1.00 0.00 C +ATOM 15 CA SER A 15 376.553 451.266 318.217 1.00 0.00 C +ATOM 16 CA GLU A 16 377.329 452.310 321.798 1.00 0.00 C +ATOM 17 CA ASN A 17 376.454 455.789 323.080 1.00 0.00 C +ATOM 18 CA LYS A 18 377.749 457.702 326.110 1.00 0.00 C +ATOM 19 CA LYS A 19 378.653 455.900 329.343 1.00 0.00 C +ATOM 20 CA LEU A 20 376.901 452.659 330.313 1.00 0.00 C +ATOM 21 CA SER A 21 374.423 450.138 328.892 1.00 0.00 C +ATOM 22 CA LEU A 22 371.411 452.027 327.523 1.00 0.00 C +ATOM 23 CA ASP A 23 368.616 449.599 326.627 1.00 0.00 C +ATOM 24 CA THR A 24 365.760 450.302 324.205 1.00 0.00 C +ATOM 25 CA ASP A 25 362.419 449.502 325.854 1.00 0.00 C +ATOM 26 CA ALA A 26 361.754 449.685 329.601 1.00 0.00 C +ATOM 27 CA ARG A 27 360.324 448.123 332.768 1.00 0.00 C +ATOM 28 CA PHE A 28 357.055 448.618 334.662 1.00 0.00 C +ATOM 29 CA GLY A 29 353.260 448.856 334.419 1.00 0.00 C +ATOM 30 CA HIS A 30 350.558 449.214 337.081 1.00 0.00 C +ATOM 31 CA GLY A 31 350.368 450.362 340.709 1.00 0.00 C +ATOM 32 CA SER A 32 348.338 450.669 343.918 1.00 0.00 C +ATOM 33 CA ASP A 33 347.249 454.146 345.032 1.00 0.00 C +ATOM 34 CA TYR A 34 345.220 457.001 346.531 1.00 0.00 C +ATOM 35 CA ARG A 35 342.411 459.233 345.248 1.00 0.00 C +ATOM 36 CA GLN A 36 344.055 462.618 344.649 1.00 0.00 C +ATOM 37 CA GLN A 37 342.479 466.033 345.259 1.00 0.00 C +ATOM 38 CA SER A 38 342.155 467.059 348.914 1.00 0.00 C +ATOM 39 CA ARG A 39 340.157 469.996 350.290 1.00 0.00 C +ATOM 40 CA PHE A 40 339.179 472.545 347.633 1.00 0.00 C +ATOM 41 CA LEU A 41 342.221 474.788 347.151 1.00 0.00 C +ATOM 42 CA ASP A 42 345.819 473.698 346.534 1.00 0.00 C +ATOM 43 CA PHE A 43 348.730 473.549 344.079 1.00 0.00 C +ATOM 44 CA SER A 44 348.787 473.334 340.276 1.00 0.00 C +ATOM 45 CA HIS A 45 351.161 474.210 337.428 1.00 0.00 C +ATOM 46 CA ARG A 46 350.156 477.000 335.037 1.00 0.00 C +ATOM 47 CA GLU A 47 347.296 479.380 335.858 1.00 0.00 C +ATOM 48 CA ARG A 48 346.573 482.559 337.829 1.00 0.00 C +ATOM 49 CA ALA A 49 345.460 485.691 339.693 1.00 0.00 C +ATOM 50 CA ARG A 50 342.705 486.672 342.134 1.00 0.00 C +ATOM 51 CA PHE A 51 342.101 487.081 345.874 1.00 0.00 C +ATOM 52 CA PRO A 52 341.968 483.981 348.085 1.00 0.00 C +ATOM 53 CA ASP A 53 343.223 480.563 349.206 1.00 0.00 C +ATOM 54 CA THR A 54 346.407 478.862 350.424 1.00 0.00 C +ATOM 55 CA THR A 55 350.098 478.485 351.289 1.00 0.00 C +ATOM 56 CA SER A 56 352.890 479.675 353.593 1.00 0.00 C +ATOM 57 CA VAL A 57 355.285 479.868 356.550 1.00 0.00 C +ATOM 58 CA GLN A 58 356.457 479.012 360.073 1.00 0.00 C +ATOM 59 CA SER A 59 359.071 476.242 360.192 1.00 0.00 C +ATOM 60 CA SER A 60 362.215 474.097 360.353 1.00 0.00 C +ATOM 61 CA SER A 61 363.844 472.641 363.474 1.00 0.00 C +ATOM 62 CA PHE A 62 365.552 474.054 366.573 1.00 0.00 C +ATOM 63 CA GLU A 63 367.021 471.972 369.405 1.00 0.00 C +ATOM 64 CA ARG A 64 368.268 468.504 368.439 1.00 0.00 C +ATOM 65 CA ARG A 65 371.670 467.404 367.122 1.00 0.00 C +ATOM 66 CA GLU A 66 374.571 465.565 365.472 1.00 0.00 C +ATOM 67 CA ARG A 67 377.379 463.105 364.712 1.00 0.00 C +ATOM 68 CA PHE A 68 375.978 459.833 363.353 1.00 0.00 C +ATOM 69 CA VAL A 69 378.079 458.730 360.372 1.00 0.00 C +ATOM 70 CA GLY A 70 377.804 454.998 359.655 1.00 0.00 C +ATOM 71 CA GLN A 71 378.551 451.306 359.084 1.00 0.00 C +ATOM 72 CA SER A 72 379.642 449.347 362.164 1.00 0.00 C +ATOM 73 CA GLU A 73 378.136 446.531 364.241 1.00 0.00 C +ATOM 74 CA GLY A 74 377.419 442.886 365.089 1.00 0.00 C +ATOM 75 CA LYS A 75 377.812 439.476 363.435 1.00 0.00 C +ATOM 76 CA LYS A 76 381.405 438.434 364.160 1.00 0.00 C +ATOM 77 CA PRO A 77 384.943 439.692 364.805 1.00 0.00 C +ATOM 78 CA ARG A 78 387.827 437.206 364.926 1.00 0.00 C +ATOM 79 CA PRO A 79 390.843 437.078 367.250 1.00 0.00 C +ATOM 80 CA ALA A 80 394.296 435.486 367.490 1.00 0.00 C +ATOM 81 CA THR A 81 394.194 433.299 370.609 1.00 0.00 C +ATOM 82 CA ARG A 82 390.741 432.685 372.097 1.00 0.00 C +ATOM 83 CA ARG A 83 387.968 431.402 369.820 1.00 0.00 C +ATOM 84 CA GLU A 84 389.250 428.299 368.019 1.00 0.00 C +ATOM 85 CA GLU A 85 388.572 424.551 368.144 1.00 0.00 C +ATOM 86 CA PRO A 86 387.162 423.475 364.772 1.00 0.00 C +ATOM 87 CA SER A 87 387.775 425.433 361.562 1.00 0.00 C +ATOM 88 CA PHE A 88 389.504 428.730 360.750 1.00 0.00 C +ATOM 89 CA GLU A 89 388.774 432.141 359.218 1.00 0.00 C +ATOM 90 CA ARG A 90 390.666 435.396 358.634 1.00 0.00 C +ATOM 91 CA TYR A 91 391.657 436.747 355.212 1.00 0.00 C +ATOM 92 CA PRO A 92 393.747 439.911 355.583 1.00 0.00 C +ATOM 93 CA LYS A 93 391.583 442.433 357.447 1.00 0.00 C +ATOM 94 CA ASN A 94 392.965 445.558 359.132 1.00 0.00 C +ATOM 95 CA PHE A 95 395.108 445.566 362.282 1.00 0.00 C +ATOM 96 CA SER A 96 397.035 448.362 364.009 1.00 0.00 C +ATOM 97 CA ASP A 97 397.277 452.141 363.585 1.00 0.00 C +ATOM 98 CA SER A 98 394.979 454.459 365.551 1.00 0.00 C +ATOM 99 CA ARG A 99 396.570 455.920 368.689 1.00 0.00 C +ATOM 100 CA ARG A 100 394.130 458.049 370.698 1.00 0.00 C +ATOM 101 CA ASN A 101 392.714 458.678 374.178 1.00 0.00 C +ATOM 102 CA GLU A 102 389.578 457.514 376.002 1.00 0.00 C +ATOM 103 CA PRO A 103 386.603 455.134 376.002 1.00 0.00 C +ATOM 104 CA PRO A 104 387.471 451.988 374.037 1.00 0.00 C +ATOM 105 CA PRO A 105 389.421 451.045 370.902 1.00 0.00 C +ATOM 106 CA PRO A 106 389.417 447.445 369.655 1.00 0.00 C +ATOM 107 CA ARG A 107 391.060 444.084 370.374 1.00 0.00 C +ATOM 108 CA ASN A 108 393.979 441.703 369.803 1.00 0.00 C +ATOM 109 CA GLU A 109 397.227 443.665 370.145 1.00 0.00 C +ATOM 110 CA LEU A 110 399.161 446.728 371.325 1.00 0.00 C +ATOM 111 CA ARG A 111 402.771 447.941 371.216 1.00 0.00 C +ATOM 112 CA GLU A 112 403.112 451.693 371.782 1.00 0.00 C +ATOM 113 CA THR A 113 403.093 455.498 371.579 1.00 0.00 C +ATOM 114 CA ASP A 114 404.142 457.518 374.634 1.00 0.00 C +ATOM 115 CA ARG A 115 407.276 457.168 376.772 1.00 0.00 C +ATOM 116 CA ARG A 116 409.234 455.076 379.283 1.00 0.00 C +ATOM 117 CA GLU A 117 407.386 451.769 379.689 1.00 0.00 C +ATOM 118 CA VAL A 118 406.952 450.707 383.322 1.00 0.00 C +ATOM 119 CA ARG A 119 406.884 449.037 386.746 1.00 0.00 C +ATOM 120 CA GLY A 120 408.803 450.917 389.448 1.00 0.00 C +ATOM 121 CA GLU A 121 411.873 453.157 389.185 1.00 0.00 C +ATOM 122 CA ARG A 122 414.730 451.383 387.393 1.00 0.00 C +ATOM 123 CA ASP A 123 417.926 453.457 387.395 1.00 0.00 C +ATOM 124 CA GLU A 124 419.698 456.216 385.455 1.00 0.00 C +ATOM 125 CA ARG A 125 421.270 458.457 388.105 1.00 0.00 C +ATOM 126 CA ARG A 126 420.035 462.026 387.608 1.00 0.00 C +ATOM 127 CA THR A 127 416.851 464.077 387.190 1.00 0.00 C +ATOM 128 CA VAL A 128 413.507 464.542 388.955 1.00 0.00 C +ATOM 129 CA ILE A 129 411.586 461.338 388.205 1.00 0.00 C +ATOM 130 CA LEU A 130 408.985 459.554 390.342 1.00 0.00 C +ATOM 131 CA HIS A 131 409.315 460.493 394.019 1.00 0.00 C +ATOM 132 CA ASP A 132 412.789 460.644 395.577 1.00 0.00 C +ATOM 133 CA ARG A 133 416.319 461.063 396.948 1.00 0.00 C +ATOM 134 CA PRO A 134 419.214 458.713 397.728 1.00 0.00 C +ATOM 135 CA GLU A 135 420.564 455.903 399.918 1.00 0.00 C +ATOM 136 CA VAL A 136 420.681 454.271 403.359 1.00 0.00 C +ATOM 137 CA ALA A 137 418.697 454.752 406.576 1.00 0.00 C +ATOM 138 CA HIS A 138 418.481 451.462 408.485 1.00 0.00 C +ATOM 139 CA PRO A 139 421.345 450.656 410.865 1.00 0.00 C +ATOM 140 CA ARG A 140 423.282 447.380 410.682 1.00 0.00 C +ATOM 141 CA HIS A 141 424.769 444.135 412.013 1.00 0.00 C +ATOM 142 CA PRO A 142 427.165 441.240 411.384 1.00 0.00 C +ATOM 143 CA ARG A 143 424.981 438.392 410.106 1.00 0.00 C +ATOM 144 CA GLU A 144 424.065 435.003 411.586 1.00 0.00 C +ATOM 145 CA THR A 145 426.062 431.795 411.098 1.00 0.00 C +ATOM 146 CA VAL A 146 426.804 428.235 409.961 1.00 0.00 C +ATOM 147 CA PRO A 147 424.394 425.317 410.396 1.00 0.00 C +ATOM 148 CA ASN A 148 426.092 423.103 412.991 1.00 0.00 C +ATOM 149 CA PRO A 149 428.867 422.053 415.381 1.00 0.00 C +ATOM 150 CA SER A 150 430.614 418.933 414.066 1.00 0.00 C +ATOM 151 CA ARG A 151 428.957 415.694 412.934 1.00 0.00 C +ATOM 152 CA PRO A 152 427.605 412.156 413.348 1.00 0.00 C +ATOM 153 CA THR A 153 429.006 409.726 415.926 1.00 0.00 C +ATOM 154 CA SER A 154 430.608 406.360 416.713 1.00 0.00 C +ATOM 155 CA TRP A 155 431.615 402.688 416.577 1.00 0.00 C +ATOM 156 CA LYS A 156 434.535 400.648 415.224 1.00 0.00 C +ATOM 157 CA SER A 157 435.235 401.947 411.712 1.00 0.00 C +ATOM 158 CA GLU A 158 432.816 402.440 408.810 1.00 0.00 C +ATOM 159 CA ALA A 159 429.819 402.225 406.467 1.00 0.00 C +ATOM 160 CA ASN A 160 428.036 398.880 406.086 1.00 0.00 C +ATOM 161 CA MET A 161 427.746 395.082 406.015 1.00 0.00 C +ATOM 162 CA SER A 162 428.250 392.154 403.630 1.00 0.00 C +ATOM 163 CA THR A 163 425.561 390.323 401.647 1.00 0.00 C +ATOM 164 CA GLU A 164 424.894 388.458 398.393 1.00 0.00 C +ATOM 165 CA LYS A 165 425.545 384.886 397.238 1.00 0.00 C +ATOM 166 CA ARG A 166 427.633 382.065 398.722 1.00 0.00 C +ATOM 167 CA GLU A 167 430.529 379.646 398.197 1.00 0.00 C +ATOM 168 CA SER A 168 433.404 379.297 400.672 1.00 0.00 C +ATOM 169 CA ARG A 169 436.544 379.197 402.828 1.00 0.00 C +ATOM 170 CA VAL A 170 437.903 375.734 403.650 1.00 0.00 C +ATOM 171 CA GLU A 171 435.653 373.264 401.819 1.00 0.00 C +ATOM 172 CA ARG A 172 436.091 370.237 399.547 1.00 0.00 C +ATOM 173 CA PRO A 173 434.889 366.827 398.344 1.00 0.00 C +ATOM 174 CA GLU A 174 432.734 364.882 400.811 1.00 0.00 C +ATOM 175 CA ARG A 175 429.094 366.008 400.791 1.00 0.00 C +ATOM 176 CA SER A 176 426.463 365.716 403.531 1.00 0.00 C +ATOM 177 CA GLY A 177 426.602 363.246 406.429 1.00 0.00 C +ATOM 178 CA ARG A 178 424.896 360.471 408.405 1.00 0.00 C +ATOM 179 CA GLU A 179 424.709 357.325 406.264 1.00 0.00 C +ATOM 180 CA VAL A 180 427.832 355.216 405.706 1.00 0.00 C +ATOM 181 CA SER A 181 428.038 351.429 406.074 1.00 0.00 C +ATOM 182 CA GLY A 182 427.735 348.321 408.256 1.00 0.00 C +ATOM 183 CA HIS A 183 425.670 345.178 408.866 1.00 0.00 C +ATOM 184 CA THR A 184 425.729 341.851 410.722 1.00 0.00 C +ATOM 185 CA VAL A 185 426.309 340.267 414.138 1.00 0.00 C +ATOM 186 CA ARG A 186 424.678 342.013 417.105 1.00 0.00 C +ATOM 187 CA GLY A 187 424.057 341.544 420.835 1.00 0.00 C +ATOM 188 CA ALA A 188 423.901 338.736 423.405 1.00 0.00 C +ATOM 189 CA PRO A 189 426.307 335.959 424.410 1.00 0.00 C +ATOM 190 CA PRO A 190 424.938 333.065 426.476 1.00 0.00 C +ATOM 191 CA GLY A 191 426.970 333.038 429.699 1.00 0.00 C +ATOM 192 CA ASN A 192 427.821 330.455 432.366 1.00 0.00 C +ATOM 193 CA ARG A 193 426.368 327.912 434.804 1.00 0.00 C +ATOM 194 CA SER A 194 423.224 327.352 436.880 1.00 0.00 C +ATOM 195 CA SER A 195 420.073 325.415 437.794 1.00 0.00 C +ATOM 196 CA ALA A 196 416.514 324.846 436.558 1.00 0.00 C +ATOM 197 CA SER A 197 412.849 324.805 435.519 1.00 0.00 C +ATOM 198 CA GLY A 198 410.197 325.590 432.898 1.00 0.00 C +ATOM 199 CA TYR A 199 406.534 326.554 433.307 1.00 0.00 C +ATOM 200 CA GLY A 200 403.922 327.111 436.024 1.00 0.00 C +ATOM 201 CA ASN A 201 404.283 327.777 439.758 1.00 0.00 C +ATOM 202 CA ARG A 202 404.134 331.408 440.905 1.00 0.00 C +ATOM 203 CA GLU A 203 407.409 333.246 441.547 1.00 0.00 C +ATOM 204 CA GLY A 204 410.378 331.895 439.579 1.00 0.00 C +ATOM 205 CA ASP A 205 412.297 333.904 436.972 1.00 0.00 C +ATOM 206 CA ARG A 206 412.062 332.358 433.498 1.00 0.00 C +ATOM 207 CA GLY A 207 411.636 334.494 430.372 1.00 0.00 C +ATOM 208 CA VAL A 208 408.220 334.861 428.724 1.00 0.00 C +ATOM 209 CA ILE A 209 408.201 338.414 427.348 1.00 0.00 C +ATOM 210 CA SER A 210 408.767 341.155 429.933 1.00 0.00 C +ATOM 211 CA ASP A 211 410.709 341.592 433.182 1.00 0.00 C +ATOM 212 CA ARG A 212 414.471 342.181 433.060 1.00 0.00 C +ATOM 213 CA GLY A 213 417.122 343.441 435.489 1.00 0.00 C +ATOM 214 CA SER A 214 420.752 342.661 434.635 1.00 0.00 C +ATOM 215 CA GLY A 215 423.522 340.105 434.078 1.00 0.00 C +ATOM 216 CA ALA A 216 426.632 338.041 434.843 1.00 0.00 C +ATOM 217 CA GLN A 217 428.533 336.874 437.932 1.00 0.00 C +ATOM 218 CA HIS A 218 426.682 335.801 441.084 1.00 0.00 C +ATOM 219 CA TYR A 219 427.799 333.522 443.927 1.00 0.00 C +ATOM 220 CA PRO A 220 426.298 334.172 447.368 1.00 0.00 C +ATOM 221 CA GLU A 221 427.044 335.557 450.838 1.00 0.00 C +ATOM 222 CA GLU A 222 429.173 338.710 450.636 1.00 0.00 C +ATOM 223 CA ARG A 223 430.434 340.347 447.435 1.00 0.00 C +ATOM 224 CA HIS A 224 434.087 341.313 446.953 1.00 0.00 C +ATOM 225 CA VAL A 225 437.487 340.467 445.456 1.00 0.00 C +ATOM 226 CA VAL A 226 439.777 337.545 446.316 1.00 0.00 C +ATOM 227 CA GLU A 227 443.502 337.913 447.023 1.00 0.00 C +ATOM 228 CA ARG A 228 445.520 337.870 450.254 1.00 0.00 C +ATOM 229 CA HIS A 229 445.480 335.628 453.335 1.00 0.00 C +ATOM 230 CA GLY A 230 442.274 336.414 455.238 1.00 0.00 C +ATOM 231 CA ARG A 231 439.324 337.196 457.518 1.00 0.00 C +ATOM 232 CA ASP A 232 439.767 340.752 458.812 1.00 0.00 C +ATOM 233 CA THR A 233 443.293 342.192 458.889 1.00 0.00 C +ATOM 234 CA SER A 234 444.533 342.383 455.292 1.00 0.00 C +ATOM 235 CA GLY A 235 448.307 342.797 455.613 1.00 0.00 C +ATOM 236 CA PRO A 236 450.300 345.975 454.944 1.00 0.00 C +ATOM 237 CA ARG A 237 453.947 346.205 453.868 1.00 0.00 C +ATOM 238 CA LYS A 238 457.068 347.545 455.596 1.00 0.00 C +ATOM 239 CA GLU A 239 460.025 349.944 455.477 1.00 0.00 C +ATOM 240 CA TRP A 240 462.128 351.885 452.962 1.00 0.00 C +ATOM 241 CA HIS A 241 463.528 355.142 451.568 1.00 0.00 C +ATOM 242 CA GLY A 242 460.495 357.352 450.911 1.00 0.00 C +ATOM 243 CA PRO A 243 456.733 356.776 451.094 1.00 0.00 C +ATOM 244 CA PRO A 244 454.705 354.954 448.433 1.00 0.00 C +ATOM 245 CA SER A 245 451.562 352.911 449.115 1.00 0.00 C +ATOM 246 CA GLN A 246 449.656 352.353 452.366 1.00 0.00 C +ATOM 247 CA GLY A 247 447.319 351.581 455.274 1.00 0.00 C +ATOM 248 CA PRO A 248 444.588 351.401 457.925 1.00 0.00 C +ATOM 249 CA SER A 249 441.673 349.392 459.333 1.00 0.00 C +ATOM 250 CA TYR A 250 438.396 347.656 460.207 1.00 0.00 C +ATOM 251 CA HIS A 251 436.222 346.017 462.873 1.00 0.00 C +ATOM 252 CA ASP A 252 436.844 345.855 466.628 1.00 0.00 C +ATOM 253 CA THR A 253 433.853 346.090 468.976 1.00 0.00 C +ATOM 254 CA ARG A 254 430.154 346.770 468.365 1.00 0.00 C +ATOM 255 CA ARG A 255 427.842 343.755 468.650 1.00 0.00 C +ATOM 256 CA MET A 256 425.582 343.586 471.712 1.00 0.00 C +ATOM 257 CA GLY A 257 424.889 344.449 475.358 1.00 0.00 C +ATOM 258 CA ASP A 258 424.698 344.554 479.162 1.00 0.00 C +ATOM 259 CA GLY A 259 424.568 347.803 481.147 1.00 0.00 C +ATOM 260 CA ARG A 260 427.410 350.063 479.994 1.00 0.00 C +ATOM 261 CA THR A 261 428.978 353.347 481.124 1.00 0.00 C +ATOM 262 CA GLY A 262 432.706 354.015 481.538 1.00 0.00 C +ATOM 263 CA ALA A 263 433.568 357.663 482.214 1.00 0.00 C +ATOM 264 CA GLY A 264 432.668 359.444 478.969 1.00 0.00 C +ATOM 265 CA MET A 265 433.530 362.837 477.466 1.00 0.00 C +ATOM 266 CA ILE A 266 432.169 366.395 477.568 1.00 0.00 C +ATOM 267 CA THR A 267 431.966 370.196 477.414 1.00 0.00 C +ATOM 268 CA GLN A 268 429.869 373.188 476.335 1.00 0.00 C +ATOM 269 CA HIS A 269 430.413 376.711 474.989 1.00 0.00 C +ATOM 270 CA SER A 270 429.517 376.888 471.290 1.00 0.00 C +ATOM 271 CA SER A 271 430.602 375.075 468.120 1.00 0.00 C +ATOM 272 CA THR A 272 428.110 372.317 467.282 1.00 0.00 C +ATOM 273 CA ALA A 273 425.619 370.519 469.535 1.00 0.00 C +ATOM 274 CA SER A 274 424.008 367.801 471.664 1.00 0.00 C +ATOM 275 CA PRO A 275 421.216 368.306 474.206 1.00 0.00 C +ATOM 276 CA VAL A 276 418.136 368.841 476.385 1.00 0.00 C +ATOM 277 CA ASN A 277 415.121 366.890 475.112 1.00 0.00 C +ATOM 278 CA ARG A 278 413.887 364.925 478.134 1.00 0.00 C +ATOM 279 CA ILE A 279 411.447 362.209 479.223 1.00 0.00 C +ATOM 280 CA ALA A 280 408.074 360.957 477.969 1.00 0.00 C +ATOM 281 CA GLN A 281 407.518 357.226 478.505 1.00 0.00 C +ATOM 282 CA MET A 282 408.699 353.618 478.828 1.00 0.00 C +ATOM 283 CA SER A 283 412.437 353.626 478.087 1.00 0.00 C +ATOM 284 CA GLY A 284 415.577 355.495 477.009 1.00 0.00 C +ATOM 285 CA ASN A 285 418.680 353.313 477.366 1.00 0.00 C +ATOM 286 CA THR A 286 421.523 353.018 479.885 1.00 0.00 C +ATOM 287 CA MET A 287 423.612 356.199 479.692 1.00 0.00 C +ATOM 288 CA PRO A 288 425.313 358.832 481.857 1.00 0.00 C +ATOM 289 CA ARG A 289 425.138 362.170 483.686 1.00 0.00 C +ATOM 290 CA GLY A 290 425.186 365.802 484.834 1.00 0.00 C +ATOM 291 CA SER A 291 423.026 368.319 482.959 1.00 0.00 C +ATOM 292 CA SER A 292 420.049 369.194 485.168 1.00 0.00 C +ATOM 293 CA SER A 293 416.433 370.134 485.915 1.00 0.00 C +ATOM 294 CA GLY A 294 414.904 372.683 483.532 1.00 0.00 C +ATOM 295 CA PHE A 295 411.273 373.516 482.733 1.00 0.00 C +ATOM 296 CA LYS A 296 407.636 372.540 483.309 1.00 0.00 C +ATOM 297 CA PRO A 297 403.979 371.904 484.167 1.00 0.00 C +ATOM 298 CA PHE A 298 400.257 372.600 484.590 1.00 0.00 C +ATOM 299 CA LYS A 299 399.340 375.614 486.733 1.00 0.00 C +ATOM 300 CA SER A 300 395.782 376.831 486.122 1.00 0.00 C +ATOM 301 CA GLY A 301 392.940 379.354 486.394 1.00 0.00 C +ATOM 302 CA PRO A 302 390.440 381.952 487.626 1.00 0.00 C +ATOM 303 CA PRO A 303 389.522 385.516 486.640 1.00 0.00 C +ATOM 304 CA ARG A 304 386.813 388.051 485.774 1.00 0.00 C +ATOM 305 CA ARG A 305 384.785 390.418 487.965 1.00 0.00 C +ATOM 306 CA PHE A 306 385.874 393.947 488.903 1.00 0.00 C +TER 307 PHE A 306 +END diff --git a/Mammals/Q56JY5/Q56JY5.dcd b/Mammals/Q56JY5/Q56JY5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..5bda4706f21cfc08987c4429422c2ea283263a40 --- /dev/null +++ b/Mammals/Q56JY5/Q56JY5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d1831b2b06e436a49451ddd90b892874b400455b7db4541c629ea38cce7e0538 +size 5120276 diff --git a/Mammals/Q56JY5/top.pdb b/Mammals/Q56JY5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b70e3d37559d0f0608266422ae775121e0090ff5 --- /dev/null +++ b/Mammals/Q56JY5/top.pdb @@ -0,0 +1,40 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 254.534 232.929 249.625 1.00 0.00 C +ATOM 2 CA THR A 2 256.959 231.644 252.267 1.00 0.00 C +ATOM 3 CA SER A 3 257.570 233.509 255.533 1.00 0.00 C +ATOM 4 CA PRO A 4 259.989 236.224 256.671 1.00 0.00 C +ATOM 5 CA GLY A 5 263.518 236.911 257.932 1.00 0.00 C +ATOM 6 CA HIS A 6 265.400 240.219 257.763 1.00 0.00 C +ATOM 7 CA LEU A 7 267.694 243.136 256.897 1.00 0.00 C +ATOM 8 CA VAL A 8 268.603 245.681 254.212 1.00 0.00 C +ATOM 9 CA SER A 9 270.300 249.004 254.985 1.00 0.00 C +ATOM 10 CA GLN A 10 267.893 251.760 256.047 1.00 0.00 C +ATOM 11 CA SER A 11 264.194 251.083 255.433 1.00 0.00 C +ATOM 12 CA HIS A 12 263.930 249.193 252.135 1.00 0.00 C +ATOM 13 CA ASN A 13 262.545 245.776 253.092 1.00 0.00 C +ATOM 14 CA GLN A 14 259.211 245.501 254.917 1.00 0.00 C +ATOM 15 CA GLU A 15 255.844 244.226 253.671 1.00 0.00 C +ATOM 16 CA THR A 16 255.810 240.503 252.862 1.00 0.00 C +ATOM 17 CA LYS A 17 255.484 240.197 249.078 1.00 0.00 C +ATOM 18 CA PRO A 18 254.280 241.371 245.659 1.00 0.00 C +ATOM 19 CA SER A 19 253.256 245.024 245.310 1.00 0.00 C +ATOM 20 CA PHE A 20 253.354 248.819 245.632 1.00 0.00 C +ATOM 21 CA THR A 21 250.878 251.688 245.236 1.00 0.00 C +ATOM 22 CA ASP A 22 247.097 251.942 244.838 1.00 0.00 C +ATOM 23 CA GLY A 23 243.846 252.676 246.683 1.00 0.00 C +ATOM 24 CA TYR A 24 243.474 254.736 249.866 1.00 0.00 C +ATOM 25 CA VAL A 25 240.805 254.013 252.488 1.00 0.00 C +ATOM 26 CA PRO A 26 237.369 255.637 252.218 1.00 0.00 C +ATOM 27 CA GLN A 27 234.611 254.033 250.136 1.00 0.00 C +ATOM 28 CA ALA A 28 234.063 253.847 246.370 1.00 0.00 C +ATOM 29 CA GLN A 29 230.826 255.359 245.046 1.00 0.00 C +ATOM 30 CA PRO A 30 230.161 258.881 243.754 1.00 0.00 C +ATOM 31 CA TYR A 31 228.872 261.972 241.938 1.00 0.00 C +ATOM 32 CA PHE A 32 228.458 264.960 244.265 1.00 0.00 C +ATOM 33 CA GLY A 33 231.251 267.412 245.103 1.00 0.00 C +ATOM 34 CA THR A 34 234.817 267.144 243.790 1.00 0.00 C +ATOM 35 CA LEU A 35 236.645 270.328 242.771 1.00 0.00 C +ATOM 36 CA GLN A 36 236.458 272.664 245.775 1.00 0.00 C +TER 37 GLN A 36 +END diff --git a/Mammals/Q588F7/Q588F7.dcd b/Mammals/Q588F7/Q588F7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c29fefa547e945ecfc26388a0b7f0c07e95cb1e7 --- /dev/null +++ b/Mammals/Q588F7/Q588F7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0df3a9675a62a5fdaa0dd306792130981ce3f261f517e915e10f9042525c71d9 +size 5600276 diff --git a/Mammals/Q588F7/top.pdb b/Mammals/Q588F7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..975412ad7766f75efe6c79fe872b69075735666c --- /dev/null +++ b/Mammals/Q588F7/top.pdb @@ -0,0 +1,44 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 240.460 237.820 259.565 1.00 0.00 C +ATOM 2 CA SER A 2 242.054 240.765 261.380 1.00 0.00 C +ATOM 3 CA GLU A 3 245.852 240.774 261.069 1.00 0.00 C +ATOM 4 CA GLN A 4 247.786 243.949 260.234 1.00 0.00 C +ATOM 5 CA GLU A 5 251.426 243.078 260.943 1.00 0.00 C +ATOM 6 CA VAL A 6 254.950 243.303 259.512 1.00 0.00 C +ATOM 7 CA THR A 7 258.039 245.354 258.637 1.00 0.00 C +ATOM 8 CA TYR A 8 260.905 245.733 256.155 1.00 0.00 C +ATOM 9 CA SER A 9 259.967 244.910 252.555 1.00 0.00 C +ATOM 10 CA THR A 10 256.746 246.526 251.316 1.00 0.00 C +ATOM 11 CA VAL A 11 255.398 250.055 250.820 1.00 0.00 C +ATOM 12 CA ARG A 12 256.905 251.877 247.833 1.00 0.00 C +ATOM 13 CA PHE A 13 256.317 255.554 247.028 1.00 0.00 C +ATOM 14 CA HIS A 14 254.384 258.665 248.077 1.00 0.00 C +ATOM 15 CA LYS A 15 252.567 261.484 249.885 1.00 0.00 C +ATOM 16 CA SER A 16 253.078 262.357 253.559 1.00 0.00 C +ATOM 17 CA SER A 17 254.605 261.214 256.857 1.00 0.00 C +ATOM 18 CA GLY A 18 251.729 260.791 259.320 1.00 0.00 C +ATOM 19 CA LEU A 19 248.307 261.352 260.900 1.00 0.00 C +ATOM 20 CA GLN A 20 245.333 262.563 258.849 1.00 0.00 C +ATOM 21 CA ASN A 21 245.721 262.114 255.086 1.00 0.00 C +ATOM 22 CA GLN A 22 244.581 259.434 252.629 1.00 0.00 C +ATOM 23 CA VAL A 23 246.651 257.861 249.844 1.00 0.00 C +ATOM 24 CA ARG A 24 244.287 257.101 246.954 1.00 0.00 C +ATOM 25 CA PRO A 25 243.889 254.915 243.860 1.00 0.00 C +ATOM 26 CA GLU A 26 242.569 251.376 243.355 1.00 0.00 C +ATOM 27 CA ASP A 27 241.450 248.198 241.577 1.00 0.00 C +ATOM 28 CA ASN A 28 243.977 245.787 240.055 1.00 0.00 C +ATOM 29 CA GLN A 29 247.265 244.023 240.827 1.00 0.00 C +ATOM 30 CA GLY A 30 250.192 241.591 240.642 1.00 0.00 C +ATOM 31 CA SER A 31 252.730 239.555 242.625 1.00 0.00 C +ATOM 32 CA ARG A 32 251.884 238.709 246.242 1.00 0.00 C +ATOM 33 CA GLU A 33 252.443 241.183 249.085 1.00 0.00 C +ATOM 34 CA ALA A 34 250.738 244.531 249.719 1.00 0.00 C +ATOM 35 CA GLY A 35 250.203 247.334 247.194 1.00 0.00 C +ATOM 36 CA HIS A 36 252.561 247.528 244.208 1.00 0.00 C +ATOM 37 CA LYS A 37 251.473 250.273 241.801 1.00 0.00 C +ATOM 38 CA VAL A 38 250.142 250.006 238.241 1.00 0.00 C +ATOM 39 CA THR A 39 247.109 250.007 235.935 1.00 0.00 C +ATOM 40 CA LEU A 40 243.327 250.355 235.629 1.00 0.00 C +TER 41 LEU A 40 +END diff --git a/Mammals/Q59EW7/Q59EW7.dcd b/Mammals/Q59EW7/Q59EW7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..2f6af97f3392019b5694a9ab6f499a7e78e44337 --- /dev/null +++ b/Mammals/Q59EW7/Q59EW7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dd2cac908aa8b7b9c73c43dc1c863973a56585fae64e502d4db3267479d88c3f +size 38280276 diff --git a/Mammals/Q59EW7/top.pdb b/Mammals/Q59EW7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8ec2b0232df4bdd127af8f6f4e20cc388feb85a4 --- /dev/null +++ b/Mammals/Q59EW7/top.pdb @@ -0,0 +1,210 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA TYR A 1 196.143 182.365 211.271 1.00 0.00 C +ATOM 2 CA SER A 2 193.410 179.968 210.132 1.00 0.00 C +ATOM 3 CA ASN A 3 195.128 176.567 210.072 1.00 0.00 C +ATOM 4 CA ASN A 4 193.702 173.114 209.323 1.00 0.00 C +ATOM 5 CA PHE A 5 194.851 169.680 210.507 1.00 0.00 C +ATOM 6 CA PHE A 6 196.734 166.836 212.205 1.00 0.00 C +ATOM 7 CA PHE A 7 196.081 164.372 215.036 1.00 0.00 C +ATOM 8 CA PHE A 8 193.691 166.191 217.381 1.00 0.00 C +ATOM 9 CA ARG A 9 193.289 168.934 219.994 1.00 0.00 C +ATOM 10 CA SER A 10 196.371 171.103 220.549 1.00 0.00 C +ATOM 11 CA ARG A 11 198.668 172.760 218.001 1.00 0.00 C +ATOM 12 CA SER A 12 201.359 172.084 215.390 1.00 0.00 C +ATOM 13 CA HIS A 13 204.814 170.491 215.603 1.00 0.00 C +ATOM 14 CA ASN A 14 206.904 171.316 212.526 1.00 0.00 C +ATOM 15 CA ARG A 15 209.549 171.923 209.852 1.00 0.00 C +ATOM 16 CA SER A 16 212.163 174.089 211.583 1.00 0.00 C +ATOM 17 CA ARG A 17 213.667 175.411 214.824 1.00 0.00 C +ATOM 18 CA SER A 18 216.299 178.145 215.167 1.00 0.00 C +ATOM 19 CA ARG A 19 219.599 179.807 216.094 1.00 0.00 C +ATOM 20 CA GLN A 20 220.395 183.406 215.128 1.00 0.00 C +ATOM 21 CA LYS A 21 221.944 186.241 217.147 1.00 0.00 C +ATOM 22 CA ASP A 22 220.059 186.926 220.387 1.00 0.00 C +ATOM 23 CA ARG A 23 220.916 187.948 223.955 1.00 0.00 C +ATOM 24 CA ARG A 24 224.395 187.518 225.450 1.00 0.00 C +ATOM 25 CA ARG A 25 227.446 188.744 227.374 1.00 0.00 C +ATOM 26 CA SER A 26 228.645 192.361 227.361 1.00 0.00 C +ATOM 27 CA LYS A 27 226.794 195.690 227.456 1.00 0.00 C +ATOM 28 CA SER A 28 227.450 199.392 226.839 1.00 0.00 C +ATOM 29 CA PRO A 29 227.684 202.950 228.180 1.00 0.00 C +ATOM 30 CA HIS A 30 224.990 203.594 230.795 1.00 0.00 C +ATOM 31 CA LYS A 31 221.940 203.157 233.037 1.00 0.00 C +ATOM 32 CA LYS A 32 222.283 202.303 236.734 1.00 0.00 C +ATOM 33 CA ARG A 33 223.211 204.695 239.551 1.00 0.00 C +ATOM 34 CA SER A 34 224.945 204.641 242.943 1.00 0.00 C +ATOM 35 CA LYS A 35 228.741 204.527 242.643 1.00 0.00 C +ATOM 36 CA SER A 36 232.481 205.208 242.895 1.00 0.00 C +ATOM 37 CA ARG A 37 234.606 208.146 244.064 1.00 0.00 C +ATOM 38 CA GLU A 38 236.304 211.034 245.879 1.00 0.00 C +ATOM 39 CA ARG A 39 239.407 212.188 243.993 1.00 0.00 C +ATOM 40 CA ARG A 40 242.869 212.060 242.408 1.00 0.00 C +ATOM 41 CA LYS A 41 245.480 214.828 242.197 1.00 0.00 C +ATOM 42 CA SER A 42 247.985 217.432 243.404 1.00 0.00 C +ATOM 43 CA ARG A 43 248.027 220.528 245.623 1.00 0.00 C +ATOM 44 CA SER A 44 247.918 223.943 247.310 1.00 0.00 C +ATOM 45 CA ARG A 45 247.589 224.695 251.030 1.00 0.00 C +ATOM 46 CA SER A 46 249.403 223.299 254.076 1.00 0.00 C +ATOM 47 CA HIS A 47 247.782 222.560 257.444 1.00 0.00 C +ATOM 48 CA SER A 48 248.024 219.225 259.269 1.00 0.00 C +ATOM 49 CA ARG A 49 245.895 217.431 261.871 1.00 0.00 C +ATOM 50 CA ASP A 50 247.388 213.931 262.070 1.00 0.00 C +ATOM 51 CA LYS A 51 250.289 212.750 259.901 1.00 0.00 C +ATOM 52 CA ARG A 52 251.230 209.158 259.047 1.00 0.00 C +ATOM 53 CA LYS A 53 250.890 208.045 255.419 1.00 0.00 C +ATOM 54 CA ASP A 54 252.640 210.186 252.798 1.00 0.00 C +ATOM 55 CA THR A 55 256.347 210.565 253.593 1.00 0.00 C +ATOM 56 CA ARG A 56 257.707 212.361 256.666 1.00 0.00 C +ATOM 57 CA GLU A 57 256.431 215.925 257.098 1.00 0.00 C +ATOM 58 CA LYS A 58 254.890 219.279 256.156 1.00 0.00 C +ATOM 59 CA ILE A 59 255.926 222.186 258.390 1.00 0.00 C +ATOM 60 CA LYS A 60 255.996 220.773 261.927 1.00 0.00 C +ATOM 61 CA GLU A 61 259.013 221.041 264.238 1.00 0.00 C +ATOM 62 CA LYS A 62 261.109 219.920 267.216 1.00 0.00 C +ATOM 63 CA GLU A 63 263.680 219.169 269.925 1.00 0.00 C +ATOM 64 CA ARG A 64 262.987 220.857 273.270 1.00 0.00 C +ATOM 65 CA VAL A 65 262.726 218.618 276.341 1.00 0.00 C +ATOM 66 CA LYS A 66 259.157 217.954 277.497 1.00 0.00 C +ATOM 67 CA GLU A 67 257.435 219.966 280.236 1.00 0.00 C +ATOM 68 CA LYS A 68 256.673 223.622 279.482 1.00 0.00 C +ATOM 69 CA ASP A 69 255.586 225.148 282.799 1.00 0.00 C +ATOM 70 CA ARG A 70 258.745 226.506 284.440 1.00 0.00 C +ATOM 71 CA GLU A 71 260.746 229.605 285.393 1.00 0.00 C +ATOM 72 CA LYS A 72 261.456 232.988 286.996 1.00 0.00 C +ATOM 73 CA GLU A 73 264.267 234.738 285.111 1.00 0.00 C +ATOM 74 CA ARG A 74 267.840 234.420 283.825 1.00 0.00 C +ATOM 75 CA GLU A 75 269.860 232.350 281.346 1.00 0.00 C +ATOM 76 CA ARG A 76 273.100 234.257 280.728 1.00 0.00 C +ATOM 77 CA GLU A 77 276.265 236.361 280.459 1.00 0.00 C +ATOM 78 CA LYS A 78 278.302 236.997 277.302 1.00 0.00 C +ATOM 79 CA GLU A 79 279.141 239.985 275.093 1.00 0.00 C +ATOM 80 CA ARG A 80 276.434 241.896 273.213 1.00 0.00 C +ATOM 81 CA GLU A 81 277.510 245.148 271.544 1.00 0.00 C +ATOM 82 CA LYS A 82 277.162 248.496 273.329 1.00 0.00 C +ATOM 83 CA GLU A 83 277.045 252.276 272.874 1.00 0.00 C +ATOM 84 CA LYS A 84 277.902 255.288 270.703 1.00 0.00 C +ATOM 85 CA GLU A 85 276.497 257.207 267.726 1.00 0.00 C +ATOM 86 CA ARG A 86 275.374 259.239 264.706 1.00 0.00 C +ATOM 87 CA GLY A 87 277.120 258.677 261.367 1.00 0.00 C +ATOM 88 CA LYS A 88 280.095 261.058 261.357 1.00 0.00 C +ATOM 89 CA ASN A 89 283.378 262.185 259.788 1.00 0.00 C +ATOM 90 CA LYS A 90 284.431 264.902 257.333 1.00 0.00 C +ATOM 91 CA ASP A 91 284.383 265.592 253.586 1.00 0.00 C +ATOM 92 CA ARG A 92 283.942 262.162 251.989 1.00 0.00 C +ATOM 93 CA ASP A 93 280.403 261.428 250.784 1.00 0.00 C +ATOM 94 CA LYS A 94 278.654 264.689 249.878 1.00 0.00 C +ATOM 95 CA GLU A 95 278.472 264.978 246.083 1.00 0.00 C +ATOM 96 CA ARG A 96 276.534 268.158 245.280 1.00 0.00 C +ATOM 97 CA GLU A 97 277.976 269.558 242.043 1.00 0.00 C +ATOM 98 CA LYS A 98 278.227 273.360 242.080 1.00 0.00 C +ATOM 99 CA ASP A 99 278.792 276.575 244.043 1.00 0.00 C +ATOM 100 CA ARG A 100 275.773 278.320 245.580 1.00 0.00 C +ATOM 101 CA GLU A 101 274.232 280.578 242.926 1.00 0.00 C +ATOM 102 CA LYS A 102 274.002 284.336 242.348 1.00 0.00 C +ATOM 103 CA ASP A 103 276.222 286.752 244.285 1.00 0.00 C +ATOM 104 CA LYS A 104 278.305 287.701 247.331 1.00 0.00 C +ATOM 105 CA GLU A 105 281.775 288.946 248.293 1.00 0.00 C +ATOM 106 CA LYS A 106 281.832 289.897 251.982 1.00 0.00 C +ATOM 107 CA ASP A 107 282.744 290.204 255.668 1.00 0.00 C +ATOM 108 CA ARG A 108 284.161 287.114 257.389 1.00 0.00 C +ATOM 109 CA GLU A 109 284.418 283.686 259.031 1.00 0.00 C +ATOM 110 CA ARG A 110 286.932 280.828 259.210 1.00 0.00 C +ATOM 111 CA GLU A 111 290.506 280.920 257.894 1.00 0.00 C +ATOM 112 CA ARG A 112 293.589 278.687 258.058 1.00 0.00 C +ATOM 113 CA GLU A 113 292.287 275.225 257.142 1.00 0.00 C +ATOM 114 CA LYS A 114 291.357 271.711 258.283 1.00 0.00 C +ATOM 115 CA GLU A 115 288.717 269.347 259.682 1.00 0.00 C +ATOM 116 CA HIS A 116 285.842 270.871 261.664 1.00 0.00 C +ATOM 117 CA GLU A 117 285.411 274.526 260.677 1.00 0.00 C +ATOM 118 CA LYS A 118 284.300 274.482 257.033 1.00 0.00 C +ATOM 119 CA ASP A 119 281.364 272.298 255.972 1.00 0.00 C +ATOM 120 CA ARG A 120 277.989 270.675 255.270 1.00 0.00 C +ATOM 121 CA ASP A 121 274.683 270.879 253.387 1.00 0.00 C +ATOM 122 CA LYS A 122 274.291 273.243 250.426 1.00 0.00 C +ATOM 123 CA GLU A 123 272.385 276.244 251.797 1.00 0.00 C +ATOM 124 CA LYS A 124 268.582 276.327 252.002 1.00 0.00 C +ATOM 125 CA GLU A 125 267.206 275.799 248.489 1.00 0.00 C +ATOM 126 CA LYS A 126 265.115 277.061 245.565 1.00 0.00 C +ATOM 127 CA GLU A 127 262.426 276.359 242.959 1.00 0.00 C +ATOM 128 CA GLN A 128 259.026 274.712 243.456 1.00 0.00 C +ATOM 129 CA ASP A 129 255.299 275.485 243.611 1.00 0.00 C +ATOM 130 CA LYS A 130 253.443 278.535 242.280 1.00 0.00 C +ATOM 131 CA GLU A 131 252.710 282.025 240.939 1.00 0.00 C +ATOM 132 CA LYS A 132 255.367 282.768 238.310 1.00 0.00 C +ATOM 133 CA GLU A 133 257.185 280.229 236.128 1.00 0.00 C +ATOM 134 CA ARG A 134 256.845 276.512 235.363 1.00 0.00 C +ATOM 135 CA GLU A 135 257.876 272.957 236.267 1.00 0.00 C +ATOM 136 CA LYS A 136 260.401 270.893 234.298 1.00 0.00 C +ATOM 137 CA ASP A 137 259.723 269.072 231.021 1.00 0.00 C +ATOM 138 CA ARG A 138 258.730 266.388 228.506 1.00 0.00 C +ATOM 139 CA SER A 139 255.529 266.862 226.494 1.00 0.00 C +ATOM 140 CA LYS A 140 252.503 265.885 224.395 1.00 0.00 C +ATOM 141 CA GLU A 141 252.802 262.178 223.571 1.00 0.00 C +ATOM 142 CA ILE A 142 255.069 260.778 226.295 1.00 0.00 C +ATOM 143 CA ASP A 143 258.396 259.321 225.146 1.00 0.00 C +ATOM 144 CA GLU A 144 261.924 259.006 226.551 1.00 0.00 C +ATOM 145 CA LYS A 145 262.969 260.312 229.974 1.00 0.00 C +ATOM 146 CA ARG A 146 264.348 261.162 233.423 1.00 0.00 C +ATOM 147 CA LYS A 147 267.031 261.946 236.012 1.00 0.00 C +ATOM 148 CA LYS A 148 270.527 260.791 236.989 1.00 0.00 C +ATOM 149 CA ASP A 149 273.323 260.358 239.541 1.00 0.00 C +ATOM 150 CA LYS A 150 273.175 261.065 243.282 1.00 0.00 C +ATOM 151 CA LYS A 151 269.798 260.538 244.966 1.00 0.00 C +ATOM 152 CA SER A 152 266.108 261.467 244.779 1.00 0.00 C +ATOM 153 CA ARG A 153 262.303 261.268 244.802 1.00 0.00 C +ATOM 154 CA THR A 154 259.217 259.034 244.792 1.00 0.00 C +ATOM 155 CA PRO A 155 256.071 261.181 244.680 1.00 0.00 C +ATOM 156 CA PRO A 156 252.506 260.426 243.568 1.00 0.00 C +ATOM 157 CA ARG A 157 251.190 256.859 243.819 1.00 0.00 C +ATOM 158 CA SER A 158 251.032 255.748 247.460 1.00 0.00 C +ATOM 159 CA TYR A 159 250.660 255.209 251.213 1.00 0.00 C +ATOM 160 CA ASN A 160 251.525 256.430 254.717 1.00 0.00 C +ATOM 161 CA ALA A 161 252.740 260.040 254.669 1.00 0.00 C +ATOM 162 CA SER A 162 251.561 263.234 256.380 1.00 0.00 C +ATOM 163 CA ARG A 163 250.228 266.017 258.614 1.00 0.00 C +ATOM 164 CA ARG A 164 248.893 268.104 261.509 1.00 0.00 C +ATOM 165 CA SER A 165 247.336 271.217 263.058 1.00 0.00 C +ATOM 166 CA ARG A 166 247.300 274.769 264.437 1.00 0.00 C +ATOM 167 CA SER A 167 245.016 276.683 262.063 1.00 0.00 C +ATOM 168 CA SER A 168 242.149 274.767 260.442 1.00 0.00 C +ATOM 169 CA SER A 169 239.119 273.583 258.459 1.00 0.00 C +ATOM 170 CA ARG A 170 235.883 275.018 259.865 1.00 0.00 C +ATOM 171 CA GLU A 171 232.937 272.828 258.845 1.00 0.00 C +ATOM 172 CA ARG A 172 229.950 272.877 261.210 1.00 0.00 C +ATOM 173 CA ARG A 173 226.837 274.549 259.787 1.00 0.00 C +ATOM 174 CA ARG A 174 224.609 276.658 262.047 1.00 0.00 C +ATOM 175 CA ARG A 175 222.645 278.281 264.879 1.00 0.00 C +ATOM 176 CA ARG A 176 222.916 282.013 265.595 1.00 0.00 C +ATOM 177 CA SER A 177 222.570 285.788 265.981 1.00 0.00 C +ATOM 178 CA ARG A 178 224.430 288.671 267.636 1.00 0.00 C +ATOM 179 CA SER A 179 227.202 290.964 268.892 1.00 0.00 C +ATOM 180 CA SER A 180 227.465 291.265 272.681 1.00 0.00 C +ATOM 181 CA SER A 181 227.728 294.082 275.233 1.00 0.00 C +ATOM 182 CA ARG A 182 230.583 296.241 276.539 1.00 0.00 C +ATOM 183 CA SER A 183 233.478 297.866 278.408 1.00 0.00 C +ATOM 184 CA PRO A 184 236.726 299.700 277.633 1.00 0.00 C +ATOM 185 CA ARG A 185 239.276 301.185 275.223 1.00 0.00 C +ATOM 186 CA THR A 186 242.811 302.376 276.001 1.00 0.00 C +ATOM 187 CA SER A 187 245.746 302.244 273.575 1.00 0.00 C +ATOM 188 CA LYS A 188 246.825 301.367 270.028 1.00 0.00 C +ATOM 189 CA THR A 189 244.874 301.651 266.768 1.00 0.00 C +ATOM 190 CA ILE A 190 243.194 305.065 266.581 1.00 0.00 C +ATOM 191 CA LYS A 191 243.876 307.728 263.943 1.00 0.00 C +ATOM 192 CA ARG A 192 244.493 309.803 260.808 1.00 0.00 C +ATOM 193 CA LYS A 193 247.094 310.410 258.091 1.00 0.00 C +ATOM 194 CA SER A 194 245.984 311.281 254.552 1.00 0.00 C +ATOM 195 CA SER A 195 244.448 314.106 252.508 1.00 0.00 C +ATOM 196 CA ARG A 196 241.446 315.285 254.536 1.00 0.00 C +ATOM 197 CA SER A 197 238.165 316.796 253.326 1.00 0.00 C +ATOM 198 CA PRO A 198 234.535 315.707 253.720 1.00 0.00 C +ATOM 199 CA SER A 199 231.777 317.915 252.294 1.00 0.00 C +ATOM 200 CA PRO A 200 228.423 317.397 250.562 1.00 0.00 C +ATOM 201 CA ARG A 201 226.490 320.607 249.871 1.00 0.00 C +ATOM 202 CA SER A 202 225.118 321.622 253.277 1.00 0.00 C +ATOM 203 CA ARG A 203 225.568 324.770 255.376 1.00 0.00 C +ATOM 204 CA ASN A 204 227.880 325.282 258.360 1.00 0.00 C +ATOM 205 CA LYS A 205 230.443 324.386 261.033 1.00 0.00 C +ATOM 206 CA LYS A 206 233.994 323.027 261.292 1.00 0.00 C +TER 207 LYS A 206 +END diff --git a/Mammals/Q59FU5/Q59FU5.dcd b/Mammals/Q59FU5/Q59FU5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..98f977ffd3767757295e9f3835228ad785dc08b3 --- /dev/null +++ b/Mammals/Q59FU5/Q59FU5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2bd8df1ec70dd0623cf331f4b6ddaa282ca094bfb70fff991533650ca8c1958e +size 13520276 diff --git a/Mammals/Q59FU5/top.pdb b/Mammals/Q59FU5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..220bcdcdedb13725041a01e2aed6424e97c42719 --- /dev/null +++ b/Mammals/Q59FU5/top.pdb @@ -0,0 +1,110 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ASP A 1 225.770 220.663 233.253 1.00 0.00 C +ATOM 2 CA PHE A 2 226.468 224.153 231.893 1.00 0.00 C +ATOM 3 CA SER A 3 229.678 226.158 232.334 1.00 0.00 C +ATOM 4 CA ARG A 4 232.532 225.813 229.833 1.00 0.00 C +ATOM 5 CA ARG A 5 234.678 227.664 227.287 1.00 0.00 C +ATOM 6 CA SER A 6 235.817 231.264 226.773 1.00 0.00 C +ATOM 7 CA GLY A 7 239.560 231.959 226.938 1.00 0.00 C +ATOM 8 CA ASN A 8 241.157 228.715 225.736 1.00 0.00 C +ATOM 9 CA LYS A 9 242.439 229.493 222.233 1.00 0.00 C +ATOM 10 CA SER A 10 245.815 228.249 220.979 1.00 0.00 C +ATOM 11 CA SER A 11 248.517 230.870 220.395 1.00 0.00 C +ATOM 12 CA PRO A 12 247.834 234.570 219.790 1.00 0.00 C +ATOM 13 CA PRO A 13 246.386 237.849 218.499 1.00 0.00 C +ATOM 14 CA SER A 14 243.111 238.727 220.237 1.00 0.00 C +ATOM 15 CA ILE A 15 242.855 236.388 223.234 1.00 0.00 C +ATOM 16 CA ALA A 16 243.758 237.467 226.775 1.00 0.00 C +ATOM 17 CA PRO A 17 244.188 240.535 228.992 1.00 0.00 C +ATOM 18 CA LEU A 18 245.700 243.825 230.178 1.00 0.00 C +ATOM 19 CA ALA A 19 249.416 243.557 230.976 1.00 0.00 C +ATOM 20 CA LEU A 20 251.452 244.913 233.897 1.00 0.00 C +ATOM 21 CA ASP A 21 254.105 246.394 236.196 1.00 0.00 C +ATOM 22 CA SER A 22 254.592 247.224 239.882 1.00 0.00 C +ATOM 23 CA ALA A 23 254.162 247.054 243.664 1.00 0.00 C +ATOM 24 CA ASP A 24 251.969 246.781 246.768 1.00 0.00 C +ATOM 25 CA LEU A 25 253.272 244.970 249.857 1.00 0.00 C +ATOM 26 CA SER A 26 253.391 247.603 252.609 1.00 0.00 C +ATOM 27 CA GLU A 27 254.786 245.999 255.770 1.00 0.00 C +ATOM 28 CA GLU A 28 257.963 246.783 257.722 1.00 0.00 C +ATOM 29 CA LYS A 29 260.946 248.771 256.432 1.00 0.00 C +ATOM 30 CA GLY A 30 263.779 246.834 254.777 1.00 0.00 C +ATOM 31 CA SER A 31 264.313 247.687 251.102 1.00 0.00 C +ATOM 32 CA VAL A 32 262.553 248.651 247.864 1.00 0.00 C +ATOM 33 CA GLN A 33 265.296 250.091 245.645 1.00 0.00 C +ATOM 34 CA MET A 34 264.832 252.536 242.760 1.00 0.00 C +ATOM 35 CA ASP A 35 265.704 255.781 240.965 1.00 0.00 C +ATOM 36 CA SER A 36 264.149 258.855 242.593 1.00 0.00 C +ATOM 37 CA THR A 37 262.164 260.089 245.602 1.00 0.00 C +ATOM 38 CA LEU A 38 259.413 262.568 246.496 1.00 0.00 C +ATOM 39 CA GLN A 39 257.913 265.931 247.473 1.00 0.00 C +ATOM 40 CA GLY A 40 254.819 268.049 248.146 1.00 0.00 C +ATOM 41 CA ASP A 41 253.008 267.283 251.409 1.00 0.00 C +ATOM 42 CA MET A 42 251.799 264.831 254.063 1.00 0.00 C +ATOM 43 CA ARG A 43 253.944 264.929 257.210 1.00 0.00 C +ATOM 44 CA HIS A 44 254.198 262.388 260.037 1.00 0.00 C +ATOM 45 CA MET A 45 256.403 262.669 263.132 1.00 0.00 C +ATOM 46 CA THR A 46 258.045 262.975 266.556 1.00 0.00 C +ATOM 47 CA LEU A 47 259.538 266.359 267.471 1.00 0.00 C +ATOM 48 CA GLU A 48 260.701 269.928 268.122 1.00 0.00 C +ATOM 49 CA GLY A 49 262.975 272.478 266.435 1.00 0.00 C +ATOM 50 CA GLU A 50 260.758 275.421 265.464 1.00 0.00 C +ATOM 51 CA GLU A 51 259.254 274.534 262.078 1.00 0.00 C +ATOM 52 CA GLU A 52 256.038 272.688 262.952 1.00 0.00 C +ATOM 53 CA ASN A 53 255.230 272.634 266.675 1.00 0.00 C +ATOM 54 CA GLY A 54 253.141 275.763 267.281 1.00 0.00 C +ATOM 55 CA GLU A 55 250.208 278.008 268.214 1.00 0.00 C +ATOM 56 CA VAL A 56 247.445 279.936 269.993 1.00 0.00 C +ATOM 57 CA HIS A 57 244.565 282.105 268.762 1.00 0.00 C +ATOM 58 CA GLN A 58 242.253 282.580 271.753 1.00 0.00 C +ATOM 59 CA ALA A 59 238.539 283.196 272.342 1.00 0.00 C +ATOM 60 CA ARG A 60 236.298 280.557 273.932 1.00 0.00 C +ATOM 61 CA GLU A 61 237.737 277.320 275.333 1.00 0.00 C +ATOM 62 CA ASP A 62 236.296 273.986 274.182 1.00 0.00 C +ATOM 63 CA LYS A 63 233.991 272.915 271.344 1.00 0.00 C +ATOM 64 CA SER A 64 231.376 270.200 270.793 1.00 0.00 C +ATOM 65 CA LEU A 65 229.688 271.182 267.522 1.00 0.00 C +ATOM 66 CA SER A 66 227.492 268.296 266.353 1.00 0.00 C +ATOM 67 CA GLU A 67 228.851 264.738 266.228 1.00 0.00 C +ATOM 68 CA ALA A 68 232.585 265.024 266.931 1.00 0.00 C +ATOM 69 CA PRO A 69 234.231 262.666 264.431 1.00 0.00 C +ATOM 70 CA GLU A 70 232.995 262.746 260.828 1.00 0.00 C +ATOM 71 CA ASP A 71 231.529 261.491 257.543 1.00 0.00 C +ATOM 72 CA THR A 72 228.698 259.445 256.021 1.00 0.00 C +ATOM 73 CA SER A 73 229.864 256.207 254.388 1.00 0.00 C +ATOM 74 CA THR A 74 228.033 252.877 254.110 1.00 0.00 C +ATOM 75 CA ARG A 75 229.744 250.428 251.746 1.00 0.00 C +ATOM 76 CA GLY A 76 233.473 251.200 251.639 1.00 0.00 C +ATOM 77 CA LEU A 77 237.276 251.390 251.760 1.00 0.00 C +ATOM 78 CA ASN A 78 240.910 251.000 252.838 1.00 0.00 C +ATOM 79 CA GLN A 79 243.499 248.383 253.820 1.00 0.00 C +ATOM 80 CA ASP A 80 246.400 246.623 255.553 1.00 0.00 C +ATOM 81 CA SER A 81 248.635 243.751 254.423 1.00 0.00 C +ATOM 82 CA THR A 82 246.300 241.063 253.067 1.00 0.00 C +ATOM 83 CA ASP A 83 246.480 238.630 250.141 1.00 0.00 C +ATOM 84 CA SER A 84 249.937 237.069 249.780 1.00 0.00 C +ATOM 85 CA LYS A 85 251.715 234.067 248.249 1.00 0.00 C +ATOM 86 CA THR A 86 253.978 231.676 250.167 1.00 0.00 C +ATOM 87 CA LEU A 87 256.331 230.190 247.565 1.00 0.00 C +ATOM 88 CA GLN A 88 259.932 229.227 248.350 1.00 0.00 C +ATOM 89 CA GLY A 89 262.609 228.824 251.032 1.00 0.00 C +ATOM 90 CA ILE A 90 263.638 230.420 254.335 1.00 0.00 C +ATOM 91 CA THR A 91 261.922 231.274 257.628 1.00 0.00 C +ATOM 92 CA LEU A 92 262.456 234.619 259.372 1.00 0.00 C +ATOM 93 CA GLY A 93 260.454 237.483 257.852 1.00 0.00 C +ATOM 94 CA GLY A 94 261.290 240.808 256.192 1.00 0.00 C +ATOM 95 CA GLU A 95 261.161 240.827 252.384 1.00 0.00 C +ATOM 96 CA GLU A 96 259.043 240.342 249.254 1.00 0.00 C +ATOM 97 CA PRO A 97 256.393 240.336 246.516 1.00 0.00 C +ATOM 98 CA ILE A 98 257.510 242.071 243.313 1.00 0.00 C +ATOM 99 CA SER A 99 261.288 242.562 243.359 1.00 0.00 C +ATOM 100 CA PRO A 100 263.400 240.189 241.255 1.00 0.00 C +ATOM 101 CA PRO A 101 265.260 237.881 243.648 1.00 0.00 C +ATOM 102 CA LEU A 102 268.026 235.277 243.351 1.00 0.00 C +ATOM 103 CA ASN A 103 269.142 232.786 246.008 1.00 0.00 C +ATOM 104 CA LEU A 104 272.609 231.291 246.518 1.00 0.00 C +ATOM 105 CA GLY A 105 275.585 229.302 247.824 1.00 0.00 C +ATOM 106 CA ALA A 106 278.642 227.170 248.613 1.00 0.00 C +TER 107 ALA A 106 +END diff --git a/Mammals/Q59FZ2/Q59FZ2.dcd b/Mammals/Q59FZ2/Q59FZ2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..3d3a8be3e1f7f3a28a316fd5d96cdf3d68732252 --- /dev/null +++ b/Mammals/Q59FZ2/Q59FZ2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4e7ac3699bbdafe0ffb14362b8db4db5db369f5e36511442813b1f0c7d40120c +size 172480276 diff --git a/Mammals/Q59FZ2/top.pdb b/Mammals/Q59FZ2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a4db2d0bdf46302ea1d3bb2224139dd68528f490 --- /dev/null +++ b/Mammals/Q59FZ2/top.pdb @@ -0,0 +1,716 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 1620.000 1620.000 1620.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ALA A 1 752.147 757.596 799.817 1.00 0.00 C +ATOM 2 CA GLN A 2 753.538 756.883 803.292 1.00 0.00 C +ATOM 3 CA ALA A 3 756.485 756.117 805.582 1.00 0.00 C +ATOM 4 CA GLY A 4 759.309 754.538 803.571 1.00 0.00 C +ATOM 5 CA LYS A 5 759.943 750.812 804.051 1.00 0.00 C +ATOM 6 CA ARG A 6 763.099 749.069 805.283 1.00 0.00 C +ATOM 7 CA GLU A 7 766.256 747.598 806.829 1.00 0.00 C +ATOM 8 CA GLU A 8 768.733 746.705 809.582 1.00 0.00 C +ATOM 9 CA ASP A 9 772.512 746.934 810.012 1.00 0.00 C +ATOM 10 CA SER A 10 774.521 749.418 812.088 1.00 0.00 C +ATOM 11 CA GLN A 11 778.128 750.601 811.762 1.00 0.00 C +ATOM 12 CA SER A 12 781.076 749.519 809.605 1.00 0.00 C +ATOM 13 CA SER A 13 784.255 747.645 810.552 1.00 0.00 C +ATOM 14 CA SER A 14 787.610 749.390 811.016 1.00 0.00 C +ATOM 15 CA GLU A 15 790.482 751.806 811.669 1.00 0.00 C +ATOM 16 CA GLU A 16 789.527 755.452 811.114 1.00 0.00 C +ATOM 17 CA SER A 17 792.260 757.796 809.865 1.00 0.00 C +ATOM 18 CA ASP A 18 792.406 758.120 806.072 1.00 0.00 C +ATOM 19 CA SER A 19 792.665 758.640 802.306 1.00 0.00 C +ATOM 20 CA GLU A 20 795.986 760.298 801.445 1.00 0.00 C +ATOM 21 CA GLU A 21 795.614 761.467 797.837 1.00 0.00 C +ATOM 22 CA GLU A 22 793.506 764.403 796.634 1.00 0.00 C +ATOM 23 CA ALA A 23 790.016 764.442 798.161 1.00 0.00 C +ATOM 24 CA PRO A 24 786.963 766.392 796.979 1.00 0.00 C +ATOM 25 CA ALA A 25 786.017 770.015 796.272 1.00 0.00 C +ATOM 26 CA GLN A 26 784.810 772.735 798.651 1.00 0.00 C +ATOM 27 CA ALA A 27 781.502 773.580 800.342 1.00 0.00 C +ATOM 28 CA LYS A 28 781.779 776.360 802.932 1.00 0.00 C +ATOM 29 CA PRO A 29 784.844 776.383 805.195 1.00 0.00 C +ATOM 30 CA SER A 30 788.120 774.934 806.493 1.00 0.00 C +ATOM 31 CA GLY A 31 791.120 777.179 805.801 1.00 0.00 C +ATOM 32 CA LYS A 32 793.241 780.188 804.820 1.00 0.00 C +ATOM 33 CA ALA A 33 796.322 780.144 802.579 1.00 0.00 C +ATOM 34 CA PRO A 34 798.073 776.792 802.114 1.00 0.00 C +ATOM 35 CA GLN A 35 799.443 774.314 799.565 1.00 0.00 C +ATOM 36 CA VAL A 36 801.808 771.484 800.520 1.00 0.00 C +ATOM 37 CA ARG A 37 805.515 770.909 799.852 1.00 0.00 C +ATOM 38 CA ALA A 38 806.987 768.058 797.797 1.00 0.00 C +ATOM 39 CA ALA A 39 807.295 768.976 794.112 1.00 0.00 C +ATOM 40 CA SER A 40 808.067 771.566 791.427 1.00 0.00 C +ATOM 41 CA ALA A 41 804.842 773.353 790.466 1.00 0.00 C +ATOM 42 CA PRO A 42 804.375 774.055 786.751 1.00 0.00 C +ATOM 43 CA ALA A 43 800.742 775.105 786.290 1.00 0.00 C +ATOM 44 CA LYS A 44 798.825 778.047 787.767 1.00 0.00 C +ATOM 45 CA GLU A 45 797.974 780.669 785.137 1.00 0.00 C +ATOM 46 CA SER A 46 797.146 779.866 781.506 1.00 0.00 C +ATOM 47 CA PRO A 47 796.596 776.455 779.901 1.00 0.00 C +ATOM 48 CA ARG A 48 796.623 772.821 778.758 1.00 0.00 C +ATOM 49 CA LYS A 49 798.658 769.688 778.007 1.00 0.00 C +ATOM 50 CA GLY A 50 800.261 766.513 776.644 1.00 0.00 C +ATOM 51 CA ALA A 51 799.904 762.834 777.567 1.00 0.00 C +ATOM 52 CA ALA A 52 797.756 760.133 775.953 1.00 0.00 C +ATOM 53 CA PRO A 53 794.447 760.338 777.831 1.00 0.00 C +ATOM 54 CA ALA A 54 795.224 758.846 781.250 1.00 0.00 C +ATOM 55 CA PRO A 55 794.621 756.230 783.953 1.00 0.00 C +ATOM 56 CA PRO A 56 792.817 757.595 787.019 1.00 0.00 C +ATOM 57 CA ARG A 57 790.630 760.108 788.868 1.00 0.00 C +ATOM 58 CA LYS A 58 788.814 762.521 786.545 1.00 0.00 C +ATOM 59 CA THR A 59 789.695 766.164 785.860 1.00 0.00 C +ATOM 60 CA GLY A 60 791.631 769.239 784.713 1.00 0.00 C +ATOM 61 CA PRO A 61 788.989 771.797 783.714 1.00 0.00 C +ATOM 62 CA ALA A 62 785.533 773.071 784.687 1.00 0.00 C +ATOM 63 CA ALA A 63 782.090 771.778 783.694 1.00 0.00 C +ATOM 64 CA ALA A 64 780.103 771.221 786.897 1.00 0.00 C +ATOM 65 CA GLN A 65 776.883 771.929 788.807 1.00 0.00 C +ATOM 66 CA VAL A 66 775.957 768.650 790.514 1.00 0.00 C +ATOM 67 CA GLN A 67 772.614 766.867 790.914 1.00 0.00 C +ATOM 68 CA VAL A 68 769.045 765.656 790.359 1.00 0.00 C +ATOM 69 CA GLY A 69 766.985 768.731 789.454 1.00 0.00 C +ATOM 70 CA LYS A 70 768.274 769.789 786.028 1.00 0.00 C +ATOM 71 CA GLN A 71 766.077 769.632 782.920 1.00 0.00 C +ATOM 72 CA GLU A 72 763.905 768.036 780.227 1.00 0.00 C +ATOM 73 CA GLU A 73 761.890 764.811 779.995 1.00 0.00 C +ATOM 74 CA ASP A 74 758.742 762.861 780.892 1.00 0.00 C +ATOM 75 CA SER A 75 755.820 760.521 781.603 1.00 0.00 C +ATOM 76 CA ARG A 76 752.261 761.869 781.424 1.00 0.00 C +ATOM 77 CA SER A 77 748.665 760.866 780.667 1.00 0.00 C +ATOM 78 CA SER A 78 745.296 759.293 779.832 1.00 0.00 C +ATOM 79 CA SER A 79 741.838 759.958 781.286 1.00 0.00 C +ATOM 80 CA GLU A 80 738.924 760.721 778.953 1.00 0.00 C +ATOM 81 CA GLU A 81 735.493 759.119 778.530 1.00 0.00 C +ATOM 82 CA SER A 82 733.686 757.504 781.469 1.00 0.00 C +ATOM 83 CA ASP A 83 731.001 756.467 783.966 1.00 0.00 C +ATOM 84 CA SER A 84 732.078 753.299 785.788 1.00 0.00 C +ATOM 85 CA ASP A 85 732.077 749.493 785.951 1.00 0.00 C +ATOM 86 CA ARG A 86 731.962 746.585 788.411 1.00 0.00 C +ATOM 87 CA GLU A 87 730.268 743.184 788.686 1.00 0.00 C +ATOM 88 CA ALA A 88 727.564 740.723 789.759 1.00 0.00 C +ATOM 89 CA LEU A 89 725.303 742.020 792.538 1.00 0.00 C +ATOM 90 CA ALA A 90 724.648 741.570 796.264 1.00 0.00 C +ATOM 91 CA ALA A 91 725.129 738.433 798.372 1.00 0.00 C +ATOM 92 CA MET A 92 723.732 735.058 799.456 1.00 0.00 C +ATOM 93 CA ASN A 93 726.279 733.610 801.892 1.00 0.00 C +ATOM 94 CA ALA A 94 727.992 731.956 804.866 1.00 0.00 C +ATOM 95 CA ALA A 95 726.846 728.415 805.680 1.00 0.00 C +ATOM 96 CA GLN A 96 724.007 728.641 808.211 1.00 0.00 C +ATOM 97 CA VAL A 97 722.270 732.020 807.929 1.00 0.00 C +ATOM 98 CA LYS A 98 721.721 735.791 807.953 1.00 0.00 C +ATOM 99 CA PRO A 99 719.302 738.490 806.779 1.00 0.00 C +ATOM 100 CA LEU A 100 718.184 741.883 808.105 1.00 0.00 C +ATOM 101 CA GLY A 101 719.878 743.273 811.221 1.00 0.00 C +ATOM 102 CA LYS A 102 721.387 746.591 812.332 1.00 0.00 C +ATOM 103 CA SER A 103 724.496 748.533 813.371 1.00 0.00 C +ATOM 104 CA PRO A 104 727.926 748.618 815.027 1.00 0.00 C +ATOM 105 CA GLN A 105 729.930 745.827 813.382 1.00 0.00 C +ATOM 106 CA VAL A 106 731.688 744.731 810.184 1.00 0.00 C +ATOM 107 CA LYS A 107 734.334 747.169 808.931 1.00 0.00 C +ATOM 108 CA PRO A 108 736.508 749.015 806.405 1.00 0.00 C +ATOM 109 CA ALA A 109 735.522 751.296 803.517 1.00 0.00 C +ATOM 110 CA SER A 110 732.085 752.941 803.520 1.00 0.00 C +ATOM 111 CA THR A 111 731.333 756.660 803.864 1.00 0.00 C +ATOM 112 CA MET A 112 730.140 759.405 801.506 1.00 0.00 C +ATOM 113 CA GLY A 113 727.319 761.279 803.253 1.00 0.00 C +ATOM 114 CA MET A 114 726.604 764.556 801.446 1.00 0.00 C +ATOM 115 CA GLY A 115 726.377 766.274 798.053 1.00 0.00 C +ATOM 116 CA PRO A 116 727.934 764.747 794.929 1.00 0.00 C +ATOM 117 CA LEU A 117 729.360 763.934 791.491 1.00 0.00 C +ATOM 118 CA GLY A 118 731.058 765.678 788.559 1.00 0.00 C +ATOM 119 CA LYS A 119 728.406 767.709 786.727 1.00 0.00 C +ATOM 120 CA GLY A 120 727.941 769.438 783.364 1.00 0.00 C +ATOM 121 CA ALA A 121 724.789 770.817 781.727 1.00 0.00 C +ATOM 122 CA GLY A 122 721.336 770.795 783.336 1.00 0.00 C +ATOM 123 CA PRO A 123 717.662 771.701 782.890 1.00 0.00 C +ATOM 124 CA VAL A 124 715.068 771.293 785.650 1.00 0.00 C +ATOM 125 CA PRO A 125 716.061 773.677 788.452 1.00 0.00 C +ATOM 126 CA PRO A 126 714.973 772.973 792.035 1.00 0.00 C +ATOM 127 CA GLY A 127 715.809 770.915 795.131 1.00 0.00 C +ATOM 128 CA LYS A 128 713.154 768.407 796.214 1.00 0.00 C +ATOM 129 CA VAL A 129 709.956 770.452 796.537 1.00 0.00 C +ATOM 130 CA GLY A 130 707.489 771.598 793.869 1.00 0.00 C +ATOM 131 CA PRO A 131 704.185 773.352 793.145 1.00 0.00 C +ATOM 132 CA ALA A 132 704.924 776.249 790.782 1.00 0.00 C +ATOM 133 CA THR A 133 706.041 779.783 791.664 1.00 0.00 C +ATOM 134 CA PRO A 134 707.391 781.742 788.689 1.00 0.00 C +ATOM 135 CA SER A 135 705.031 781.051 785.779 1.00 0.00 C +ATOM 136 CA ALA A 136 704.514 777.631 784.181 1.00 0.00 C +ATOM 137 CA GLN A 137 701.858 776.378 781.753 1.00 0.00 C +ATOM 138 CA VAL A 138 702.842 775.545 778.168 1.00 0.00 C +ATOM 139 CA GLY A 139 701.742 776.571 774.667 1.00 0.00 C +ATOM 140 CA LYS A 140 701.593 779.123 771.842 1.00 0.00 C +ATOM 141 CA TRP A 141 701.342 781.804 769.146 1.00 0.00 C +ATOM 142 CA GLU A 142 703.963 784.442 769.973 1.00 0.00 C +ATOM 143 CA GLU A 143 705.665 787.851 770.009 1.00 0.00 C +ATOM 144 CA ASP A 144 706.686 789.897 766.962 1.00 0.00 C +ATOM 145 CA SER A 145 708.078 788.345 763.773 1.00 0.00 C +ATOM 146 CA GLU A 146 711.813 787.834 764.323 1.00 0.00 C +ATOM 147 CA SER A 147 714.989 785.753 764.004 1.00 0.00 C +ATOM 148 CA SER A 148 715.649 785.108 760.307 1.00 0.00 C +ATOM 149 CA SER A 149 715.741 782.185 757.865 1.00 0.00 C +ATOM 150 CA GLU A 150 714.010 779.396 755.932 1.00 0.00 C +ATOM 151 CA GLU A 151 710.539 778.082 755.072 1.00 0.00 C +ATOM 152 CA SER A 152 709.464 774.638 756.296 1.00 0.00 C +ATOM 153 CA SER A 153 709.412 771.825 753.727 1.00 0.00 C +ATOM 154 CA ASP A 154 706.907 769.827 751.665 1.00 0.00 C +ATOM 155 CA SER A 155 707.193 770.648 747.956 1.00 0.00 C +ATOM 156 CA SER A 156 705.491 772.696 745.231 1.00 0.00 C +ATOM 157 CA ASP A 157 707.569 775.192 743.240 1.00 0.00 C +ATOM 158 CA GLY A 158 706.160 777.783 740.827 1.00 0.00 C +ATOM 159 CA GLU A 159 705.275 781.468 740.439 1.00 0.00 C +ATOM 160 CA VAL A 160 705.779 784.612 742.531 1.00 0.00 C +ATOM 161 CA PRO A 161 708.171 787.190 743.997 1.00 0.00 C +ATOM 162 CA THR A 162 711.298 788.110 745.969 1.00 0.00 C +ATOM 163 CA ALA A 163 711.817 791.884 746.057 1.00 0.00 C +ATOM 164 CA VAL A 164 713.842 793.410 743.213 1.00 0.00 C +ATOM 165 CA ALA A 165 717.310 794.903 743.726 1.00 0.00 C +ATOM 166 CA PRO A 166 719.316 797.058 741.307 1.00 0.00 C +ATOM 167 CA ALA A 167 721.202 798.286 738.233 1.00 0.00 C +ATOM 168 CA GLN A 168 720.915 798.206 734.435 1.00 0.00 C +ATOM 169 CA GLU A 169 720.723 796.627 730.973 1.00 0.00 C +ATOM 170 CA LYS A 170 721.407 796.059 727.268 1.00 0.00 C +ATOM 171 CA SER A 171 723.153 797.818 724.375 1.00 0.00 C +ATOM 172 CA LEU A 172 720.748 799.682 722.083 1.00 0.00 C +ATOM 173 CA GLY A 173 720.432 803.305 720.945 1.00 0.00 C +ATOM 174 CA ASN A 174 722.994 806.011 721.739 1.00 0.00 C +ATOM 175 CA ILE A 175 724.976 808.912 720.266 1.00 0.00 C +ATOM 176 CA LEU A 176 726.821 811.822 721.892 1.00 0.00 C +ATOM 177 CA GLN A 177 727.371 810.924 725.553 1.00 0.00 C +ATOM 178 CA ALA A 178 729.029 807.612 726.448 1.00 0.00 C +ATOM 179 CA LYS A 179 732.579 806.752 727.533 1.00 0.00 C +ATOM 180 CA PRO A 180 736.011 805.794 728.882 1.00 0.00 C +ATOM 181 CA THR A 181 738.139 808.611 730.314 1.00 0.00 C +ATOM 182 CA SER A 182 737.400 811.410 732.791 1.00 0.00 C +ATOM 183 CA SER A 183 740.103 814.052 732.311 1.00 0.00 C +ATOM 184 CA PRO A 184 739.121 817.543 731.143 1.00 0.00 C +ATOM 185 CA ALA A 185 736.287 820.021 730.555 1.00 0.00 C +ATOM 186 CA LYS A 186 736.911 822.896 728.135 1.00 0.00 C +ATOM 187 CA GLY A 187 740.647 822.880 727.387 1.00 0.00 C +ATOM 188 CA PRO A 188 743.303 820.159 727.624 1.00 0.00 C +ATOM 189 CA PRO A 189 746.712 819.646 726.001 1.00 0.00 C +ATOM 190 CA GLN A 190 750.225 820.766 726.958 1.00 0.00 C +ATOM 191 CA LYS A 191 751.511 823.088 724.224 1.00 0.00 C +ATOM 192 CA ALA A 192 749.472 823.701 721.065 1.00 0.00 C +ATOM 193 CA GLY A 193 746.293 825.610 721.942 1.00 0.00 C +ATOM 194 CA PRO A 194 743.174 826.818 720.119 1.00 0.00 C +ATOM 195 CA VAL A 195 742.061 824.280 717.503 1.00 0.00 C +ATOM 196 CA ALA A 196 739.272 821.832 716.643 1.00 0.00 C +ATOM 197 CA VAL A 197 735.599 821.577 715.663 1.00 0.00 C +ATOM 198 CA GLN A 198 735.112 823.172 712.237 1.00 0.00 C +ATOM 199 CA VAL A 199 734.862 826.943 711.760 1.00 0.00 C +ATOM 200 CA LYS A 200 731.929 828.240 709.702 1.00 0.00 C +ATOM 201 CA ALA A 201 729.402 826.821 707.229 1.00 0.00 C +ATOM 202 CA GLU A 202 730.601 825.018 704.094 1.00 0.00 C +ATOM 203 CA LYS A 203 730.671 823.031 700.844 1.00 0.00 C +ATOM 204 CA PRO A 204 727.201 823.372 699.308 1.00 0.00 C +ATOM 205 CA MET A 205 724.939 821.465 696.908 1.00 0.00 C +ATOM 206 CA ASP A 206 722.123 823.467 695.302 1.00 0.00 C +ATOM 207 CA ASN A 207 722.452 822.821 691.561 1.00 0.00 C +ATOM 208 CA SER A 208 722.293 821.424 688.020 1.00 0.00 C +ATOM 209 CA GLU A 209 724.710 819.366 685.914 1.00 0.00 C +ATOM 210 CA SER A 210 727.832 818.232 687.781 1.00 0.00 C +ATOM 211 CA SER A 211 728.551 815.716 690.550 1.00 0.00 C +ATOM 212 CA GLU A 212 731.548 813.532 691.427 1.00 0.00 C +ATOM 213 CA GLU A 213 735.185 812.402 691.335 1.00 0.00 C +ATOM 214 CA SER A 214 737.880 813.921 693.559 1.00 0.00 C +ATOM 215 CA SER A 215 740.808 816.146 694.555 1.00 0.00 C +ATOM 216 CA ASP A 216 741.103 818.144 697.786 1.00 0.00 C +ATOM 217 CA SER A 217 744.435 817.479 699.511 1.00 0.00 C +ATOM 218 CA ALA A 218 745.733 813.898 699.447 1.00 0.00 C +ATOM 219 CA ASP A 219 744.443 811.189 697.099 1.00 0.00 C +ATOM 220 CA SER A 220 747.013 808.747 695.702 1.00 0.00 C +ATOM 221 CA GLU A 221 750.397 809.497 694.122 1.00 0.00 C +ATOM 222 CA GLU A 222 751.883 806.167 693.017 1.00 0.00 C +ATOM 223 CA ALA A 223 750.098 802.850 693.585 1.00 0.00 C +ATOM 224 CA PRO A 224 747.885 800.970 691.117 1.00 0.00 C +ATOM 225 CA ALA A 225 747.019 797.595 689.577 1.00 0.00 C +ATOM 226 CA ALA A 226 747.253 793.804 689.885 1.00 0.00 C +ATOM 227 CA MET A 227 748.612 790.309 690.560 1.00 0.00 C +ATOM 228 CA THR A 228 750.183 788.388 693.451 1.00 0.00 C +ATOM 229 CA ALA A 229 753.974 788.032 693.316 1.00 0.00 C +ATOM 230 CA ALA A 230 757.391 787.021 694.664 1.00 0.00 C +ATOM 231 CA GLN A 231 759.695 789.798 695.884 1.00 0.00 C +ATOM 232 CA ALA A 232 762.147 791.216 698.433 1.00 0.00 C +ATOM 233 CA LYS A 233 761.925 794.353 700.583 1.00 0.00 C +ATOM 234 CA PRO A 234 764.211 794.213 703.628 1.00 0.00 C +ATOM 235 CA ALA A 235 765.264 793.190 707.144 1.00 0.00 C +ATOM 236 CA LEU A 236 767.233 794.755 710.006 1.00 0.00 C +ATOM 237 CA LYS A 237 765.404 796.415 712.907 1.00 0.00 C +ATOM 238 CA ILE A 238 765.129 794.814 716.353 1.00 0.00 C +ATOM 239 CA PRO A 239 768.648 794.317 717.726 1.00 0.00 C +ATOM 240 CA GLN A 240 771.023 796.311 719.939 1.00 0.00 C +ATOM 241 CA THR A 241 772.270 799.813 720.773 1.00 0.00 C +ATOM 242 CA LYS A 242 771.868 803.403 719.562 1.00 0.00 C +ATOM 243 CA ALA A 243 775.145 804.781 718.191 1.00 0.00 C +ATOM 244 CA CYS A 244 774.790 805.370 714.443 1.00 0.00 C +ATOM 245 CA PRO A 245 774.598 802.325 712.162 1.00 0.00 C +ATOM 246 CA LYS A 246 776.562 799.528 713.846 1.00 0.00 C +ATOM 247 CA LYS A 247 776.409 797.104 716.781 1.00 0.00 C +ATOM 248 CA THR A 248 779.296 795.498 718.679 1.00 0.00 C +ATOM 249 CA ASN A 249 779.167 796.171 722.427 1.00 0.00 C +ATOM 250 CA THR A 250 778.956 799.030 724.936 1.00 0.00 C +ATOM 251 CA THR A 251 781.909 800.036 727.124 1.00 0.00 C +ATOM 252 CA ALA A 252 785.182 798.709 728.551 1.00 0.00 C +ATOM 253 CA SER A 253 786.181 795.077 727.974 1.00 0.00 C +ATOM 254 CA ALA A 254 789.335 792.965 728.292 1.00 0.00 C +ATOM 255 CA LYS A 255 789.643 789.249 729.077 1.00 0.00 C +ATOM 256 CA VAL A 256 792.145 786.716 727.721 1.00 0.00 C +ATOM 257 CA ALA A 257 793.573 784.672 730.602 1.00 0.00 C +ATOM 258 CA PRO A 258 792.926 781.557 732.698 1.00 0.00 C +ATOM 259 CA VAL A 259 791.767 782.506 736.201 1.00 0.00 C +ATOM 260 CA ARG A 260 791.214 786.152 737.159 1.00 0.00 C +ATOM 261 CA VAL A 261 793.242 789.205 736.121 1.00 0.00 C +ATOM 262 CA GLY A 262 796.609 789.860 734.461 1.00 0.00 C +ATOM 263 CA THR A 263 800.303 789.904 735.391 1.00 0.00 C +ATOM 264 CA GLN A 264 802.570 790.016 738.451 1.00 0.00 C +ATOM 265 CA ALA A 265 804.434 793.284 739.056 1.00 0.00 C +ATOM 266 CA PRO A 266 808.229 793.175 739.372 1.00 0.00 C +ATOM 267 CA ARG A 267 811.072 794.413 741.587 1.00 0.00 C +ATOM 268 CA LYS A 268 812.156 798.042 741.174 1.00 0.00 C +ATOM 269 CA ALA A 269 813.975 801.306 741.920 1.00 0.00 C +ATOM 270 CA GLY A 270 817.237 802.949 740.834 1.00 0.00 C +ATOM 271 CA THR A 271 819.385 800.339 739.077 1.00 0.00 C +ATOM 272 CA ALA A 272 819.128 797.085 741.042 1.00 0.00 C +ATOM 273 CA THR A 273 822.213 795.197 742.239 1.00 0.00 C +ATOM 274 CA SER A 274 822.516 795.642 746.011 1.00 0.00 C +ATOM 275 CA PRO A 275 819.335 794.934 747.985 1.00 0.00 C +ATOM 276 CA ALA A 276 817.049 792.032 748.916 1.00 0.00 C +ATOM 277 CA GLY A 277 816.819 790.251 752.276 1.00 0.00 C +ATOM 278 CA SER A 278 817.985 792.257 755.298 1.00 0.00 C +ATOM 279 CA SER A 279 820.526 795.056 754.826 1.00 0.00 C +ATOM 280 CA PRO A 280 820.125 798.685 753.735 1.00 0.00 C +ATOM 281 CA ALA A 281 822.492 801.670 753.765 1.00 0.00 C +ATOM 282 CA VAL A 282 821.490 804.914 755.493 1.00 0.00 C +ATOM 283 CA ALA A 283 823.411 806.095 758.564 1.00 0.00 C +ATOM 284 CA GLY A 284 827.027 807.154 759.127 1.00 0.00 C +ATOM 285 CA GLY A 285 829.852 807.086 761.684 1.00 0.00 C +ATOM 286 CA THR A 286 831.917 809.416 763.879 1.00 0.00 C +ATOM 287 CA GLN A 287 834.785 810.606 761.672 1.00 0.00 C +ATOM 288 CA ARG A 288 834.749 812.506 758.369 1.00 0.00 C +ATOM 289 CA PRO A 289 833.701 815.561 756.349 1.00 0.00 C +ATOM 290 CA ALA A 290 836.306 817.583 754.441 1.00 0.00 C +ATOM 291 CA GLU A 291 838.375 820.589 753.344 1.00 0.00 C +ATOM 292 CA ASP A 292 840.971 821.484 755.985 1.00 0.00 C +ATOM 293 CA SER A 293 844.258 819.870 754.934 1.00 0.00 C +ATOM 294 CA SER A 294 847.321 821.584 756.416 1.00 0.00 C +ATOM 295 CA SER A 295 848.769 824.149 758.833 1.00 0.00 C +ATOM 296 CA SER A 296 846.978 823.842 762.182 1.00 0.00 C +ATOM 297 CA GLU A 297 844.583 821.067 763.221 1.00 0.00 C +ATOM 298 CA GLU A 298 843.780 817.428 762.425 1.00 0.00 C +ATOM 299 CA SER A 299 846.160 814.775 761.079 1.00 0.00 C +ATOM 300 CA ASP A 300 849.614 813.680 762.258 1.00 0.00 C +ATOM 301 CA SER A 301 852.808 811.685 761.684 1.00 0.00 C +ATOM 302 CA GLU A 302 854.438 808.242 761.624 1.00 0.00 C +ATOM 303 CA GLU A 303 853.652 804.579 762.320 1.00 0.00 C +ATOM 304 CA GLU A 304 851.993 802.597 765.119 1.00 0.00 C +ATOM 305 CA LYS A 305 854.535 801.125 767.545 1.00 0.00 C +ATOM 306 CA THR A 306 856.901 798.696 765.807 1.00 0.00 C +ATOM 307 CA GLY A 307 856.773 797.674 762.139 1.00 0.00 C +ATOM 308 CA LEU A 308 857.949 798.487 758.607 1.00 0.00 C +ATOM 309 CA ALA A 309 859.564 795.939 756.280 1.00 0.00 C +ATOM 310 CA VAL A 310 861.640 792.847 757.081 1.00 0.00 C +ATOM 311 CA THR A 311 863.340 789.575 756.121 1.00 0.00 C +ATOM 312 CA VAL A 312 866.056 787.467 754.478 1.00 0.00 C +ATOM 313 CA GLY A 313 869.596 788.804 754.920 1.00 0.00 C +ATOM 314 CA GLN A 314 871.215 787.350 758.047 1.00 0.00 C +ATOM 315 CA ALA A 315 874.591 785.660 757.534 1.00 0.00 C +ATOM 316 CA LYS A 316 877.587 783.979 759.181 1.00 0.00 C +ATOM 317 CA SER A 317 879.817 780.995 759.980 1.00 0.00 C +ATOM 318 CA VAL A 318 880.651 778.884 763.040 1.00 0.00 C +ATOM 319 CA GLY A 319 884.057 780.140 764.197 1.00 0.00 C +ATOM 320 CA LYS A 320 884.010 779.800 767.992 1.00 0.00 C +ATOM 321 CA GLY A 321 881.592 781.986 769.963 1.00 0.00 C +ATOM 322 CA LEU A 322 879.718 783.018 773.116 1.00 0.00 C +ATOM 323 CA GLN A 323 881.486 785.558 775.338 1.00 0.00 C +ATOM 324 CA VAL A 324 885.253 785.949 775.755 1.00 0.00 C +ATOM 325 CA LYS A 325 887.593 783.366 777.295 1.00 0.00 C +ATOM 326 CA ALA A 326 887.482 780.589 779.901 1.00 0.00 C +ATOM 327 CA ALA A 327 884.712 780.006 782.452 1.00 0.00 C +ATOM 328 CA SER A 328 882.666 777.088 783.798 1.00 0.00 C +ATOM 329 CA VAL A 329 882.182 773.746 782.034 1.00 0.00 C +ATOM 330 CA PRO A 330 884.232 770.738 783.160 1.00 0.00 C +ATOM 331 CA VAL A 331 885.095 767.027 783.200 1.00 0.00 C +ATOM 332 CA LYS A 332 882.305 764.928 781.674 1.00 0.00 C +ATOM 333 CA GLY A 333 880.711 765.659 778.292 1.00 0.00 C +ATOM 334 CA SER A 334 877.436 764.804 776.543 1.00 0.00 C +ATOM 335 CA LEU A 335 874.031 766.412 777.126 1.00 0.00 C +ATOM 336 CA GLY A 336 870.739 767.373 778.784 1.00 0.00 C +ATOM 337 CA GLN A 337 868.673 769.565 781.118 1.00 0.00 C +ATOM 338 CA GLY A 338 865.647 771.624 780.061 1.00 0.00 C +ATOM 339 CA THR A 339 865.945 773.693 776.876 1.00 0.00 C +ATOM 340 CA ALA A 340 869.018 773.294 774.660 1.00 0.00 C +ATOM 341 CA PRO A 341 870.519 776.299 772.861 1.00 0.00 C +ATOM 342 CA VAL A 342 868.370 779.316 771.969 1.00 0.00 C +ATOM 343 CA LEU A 343 868.061 783.004 772.874 1.00 0.00 C +ATOM 344 CA PRO A 344 868.787 785.355 775.782 1.00 0.00 C +ATOM 345 CA GLY A 345 867.315 788.581 777.175 1.00 0.00 C +ATOM 346 CA LYS A 346 866.248 790.993 774.426 1.00 0.00 C +ATOM 347 CA THR A 347 867.978 794.387 774.445 1.00 0.00 C +ATOM 348 CA GLY A 348 869.783 796.970 776.588 1.00 0.00 C +ATOM 349 CA PRO A 349 873.287 796.778 778.071 1.00 0.00 C +ATOM 350 CA THR A 350 874.703 795.459 781.353 1.00 0.00 C +ATOM 351 CA VAL A 351 873.393 794.830 784.875 1.00 0.00 C +ATOM 352 CA THR A 352 873.177 793.300 788.358 1.00 0.00 C +ATOM 353 CA GLN A 353 872.302 790.489 790.776 1.00 0.00 C +ATOM 354 CA VAL A 354 871.121 786.872 790.566 1.00 0.00 C +ATOM 355 CA LYS A 355 868.791 785.545 787.860 1.00 0.00 C +ATOM 356 CA ALA A 356 865.956 787.531 786.267 1.00 0.00 C +ATOM 357 CA GLU A 357 863.002 789.936 786.198 1.00 0.00 C +ATOM 358 CA LYS A 358 861.457 793.393 785.770 1.00 0.00 C +ATOM 359 CA GLN A 359 863.115 796.547 784.422 1.00 0.00 C +ATOM 360 CA GLU A 360 864.962 799.020 786.655 1.00 0.00 C +ATOM 361 CA ASP A 361 868.380 800.219 787.837 1.00 0.00 C +ATOM 362 CA SER A 362 870.746 803.010 788.901 1.00 0.00 C +ATOM 363 CA GLU A 363 872.335 803.124 792.362 1.00 0.00 C +ATOM 364 CA SER A 364 875.658 804.845 793.076 1.00 0.00 C +ATOM 365 CA SER A 365 877.584 806.261 796.043 1.00 0.00 C +ATOM 366 CA GLU A 366 877.896 805.255 799.705 1.00 0.00 C +ATOM 367 CA GLU A 367 879.318 804.518 803.162 1.00 0.00 C +ATOM 368 CA GLU A 368 882.384 806.384 804.438 1.00 0.00 C +ATOM 369 CA SER A 369 884.209 808.000 807.367 1.00 0.00 C +ATOM 370 CA ASP A 370 885.568 811.560 807.375 1.00 0.00 C +ATOM 371 CA SER A 371 885.410 814.549 805.018 1.00 0.00 C +ATOM 372 CA GLU A 372 886.840 815.074 801.526 1.00 0.00 C +ATOM 373 CA GLU A 373 889.011 815.505 798.424 1.00 0.00 C +ATOM 374 CA ALA A 374 891.751 817.987 799.344 1.00 0.00 C +ATOM 375 CA ALA A 375 891.806 821.634 798.241 1.00 0.00 C +ATOM 376 CA ALA A 376 895.257 822.956 799.169 1.00 0.00 C +ATOM 377 CA SER A 377 898.572 822.481 800.986 1.00 0.00 C +ATOM 378 CA PRO A 378 898.174 819.767 803.630 1.00 0.00 C +ATOM 379 CA ALA A 379 898.861 820.680 807.264 1.00 0.00 C +ATOM 380 CA GLN A 380 898.971 823.844 809.384 1.00 0.00 C +ATOM 381 CA VAL A 381 895.880 824.800 811.397 1.00 0.00 C +ATOM 382 CA LYS A 382 893.876 827.943 812.182 1.00 0.00 C +ATOM 383 CA THR A 383 890.799 827.969 814.429 1.00 0.00 C +ATOM 384 CA SER A 384 889.007 825.954 817.120 1.00 0.00 C +ATOM 385 CA VAL A 385 887.066 822.675 817.098 1.00 0.00 C +ATOM 386 CA LYS A 386 886.725 820.853 820.426 1.00 0.00 C +ATOM 387 CA LYS A 387 887.022 821.151 824.213 1.00 0.00 C +ATOM 388 CA THR A 388 887.814 821.150 827.940 1.00 0.00 C +ATOM 389 CA GLN A 389 891.579 820.897 828.465 1.00 0.00 C +ATOM 390 CA ALA A 390 892.710 818.248 825.971 1.00 0.00 C +ATOM 391 CA LYS A 391 891.537 814.798 827.083 1.00 0.00 C +ATOM 392 CA ALA A 392 888.586 812.500 826.358 1.00 0.00 C +ATOM 393 CA ASN A 393 885.374 813.727 828.000 1.00 0.00 C +ATOM 394 CA PRO A 394 884.505 811.916 831.237 1.00 0.00 C +ATOM 395 CA ALA A 395 884.603 810.283 834.678 1.00 0.00 C +ATOM 396 CA ALA A 396 882.230 812.178 836.979 1.00 0.00 C +ATOM 397 CA ALA A 397 879.878 814.987 838.023 1.00 0.00 C +ATOM 398 CA ARG A 398 876.644 816.610 839.217 1.00 0.00 C +ATOM 399 CA ALA A 399 873.659 817.247 836.937 1.00 0.00 C +ATOM 400 CA PRO A 400 870.432 818.506 835.350 1.00 0.00 C +ATOM 401 CA SER A 401 868.044 815.540 835.455 1.00 0.00 C +ATOM 402 CA ALA A 402 864.882 816.176 833.427 1.00 0.00 C +ATOM 403 CA LYS A 403 862.129 818.790 833.110 1.00 0.00 C +ATOM 404 CA GLY A 404 858.869 819.207 831.182 1.00 0.00 C +ATOM 405 CA THR A 405 855.407 819.589 829.638 1.00 0.00 C +ATOM 406 CA ILE A 406 852.619 818.379 827.340 1.00 0.00 C +ATOM 407 CA SER A 407 852.918 817.918 823.570 1.00 0.00 C +ATOM 408 CA ALA A 408 850.471 820.463 822.137 1.00 0.00 C +ATOM 409 CA PRO A 409 851.833 823.957 821.461 1.00 0.00 C +ATOM 410 CA GLY A 410 855.270 823.887 819.819 1.00 0.00 C +ATOM 411 CA LYS A 411 856.886 827.069 818.484 1.00 0.00 C +ATOM 412 CA VAL A 412 855.318 830.505 817.987 1.00 0.00 C +ATOM 413 CA VAL A 413 852.817 832.161 820.336 1.00 0.00 C +ATOM 414 CA THR A 414 850.075 832.099 822.981 1.00 0.00 C +ATOM 415 CA ALA A 415 848.150 835.356 823.428 1.00 0.00 C +ATOM 416 CA ALA A 416 845.441 837.010 821.319 1.00 0.00 C +ATOM 417 CA ALA A 417 842.017 838.680 821.343 1.00 0.00 C +ATOM 418 CA GLN A 418 839.610 841.127 819.690 1.00 0.00 C +ATOM 419 CA ALA A 419 838.184 843.936 821.834 1.00 0.00 C +ATOM 420 CA LYS A 420 835.561 845.034 824.370 1.00 0.00 C +ATOM 421 CA GLN A 421 837.409 845.830 827.606 1.00 0.00 C +ATOM 422 CA ARG A 422 837.793 847.313 831.094 1.00 0.00 C +ATOM 423 CA SER A 423 837.821 851.118 831.286 1.00 0.00 C +ATOM 424 CA PRO A 424 841.111 852.728 830.236 1.00 0.00 C +ATOM 425 CA SER A 425 844.826 851.954 829.891 1.00 0.00 C +ATOM 426 CA LYS A 426 846.221 850.949 833.291 1.00 0.00 C +ATOM 427 CA VAL A 427 845.678 853.565 836.008 1.00 0.00 C +ATOM 428 CA LYS A 428 847.185 857.024 835.481 1.00 0.00 C +ATOM 429 CA PRO A 429 848.824 859.344 832.942 1.00 0.00 C +ATOM 430 CA PRO A 430 847.301 862.580 831.627 1.00 0.00 C +ATOM 431 CA VAL A 431 849.097 865.262 829.603 1.00 0.00 C +ATOM 432 CA ARG A 432 850.119 866.977 826.358 1.00 0.00 C +ATOM 433 CA ASN A 433 850.158 867.375 822.569 1.00 0.00 C +ATOM 434 CA PRO A 434 852.977 869.526 821.177 1.00 0.00 C +ATOM 435 CA GLN A 435 856.009 871.834 821.177 1.00 0.00 C +ATOM 436 CA ASN A 436 858.220 874.659 819.892 1.00 0.00 C +ATOM 437 CA SER A 437 862.007 874.326 820.142 1.00 0.00 C +ATOM 438 CA THR A 438 864.165 876.987 821.810 1.00 0.00 C +ATOM 439 CA VAL A 439 866.643 875.741 824.422 1.00 0.00 C +ATOM 440 CA LEU A 440 869.000 877.328 826.960 1.00 0.00 C +ATOM 441 CA ALA A 441 872.449 875.829 826.352 1.00 0.00 C +ATOM 442 CA ARG A 442 874.444 874.459 823.409 1.00 0.00 C +ATOM 443 CA GLY A 443 875.764 876.103 820.236 1.00 0.00 C +ATOM 444 CA PRO A 444 874.297 874.570 817.072 1.00 0.00 C +ATOM 445 CA ALA A 445 871.310 876.584 815.833 1.00 0.00 C +ATOM 446 CA SER A 446 867.757 877.785 816.508 1.00 0.00 C +ATOM 447 CA VAL A 447 865.550 880.846 815.987 1.00 0.00 C +ATOM 448 CA PRO A 448 865.266 883.962 818.161 1.00 0.00 C +ATOM 449 CA SER A 449 865.430 886.040 821.350 1.00 0.00 C +ATOM 450 CA VAL A 450 867.476 885.522 824.522 1.00 0.00 C +ATOM 451 CA GLY A 451 870.836 883.813 825.078 1.00 0.00 C +ATOM 452 CA LYS A 452 874.478 884.879 825.413 1.00 0.00 C +ATOM 453 CA ALA A 453 875.738 885.133 829.000 1.00 0.00 C +ATOM 454 CA VAL A 454 873.459 884.683 832.019 1.00 0.00 C +ATOM 455 CA ALA A 455 875.063 885.327 835.414 1.00 0.00 C +ATOM 456 CA THR A 456 878.321 885.871 837.314 1.00 0.00 C +ATOM 457 CA ALA A 457 879.705 883.210 839.664 1.00 0.00 C +ATOM 458 CA ALA A 458 880.003 883.148 843.461 1.00 0.00 C +ATOM 459 CA GLN A 459 880.756 880.252 845.820 1.00 0.00 C +ATOM 460 CA ALA A 460 881.257 880.489 849.590 1.00 0.00 C +ATOM 461 CA GLN A 461 880.980 877.349 851.730 1.00 0.00 C +ATOM 462 CA THR A 462 880.597 873.574 851.382 1.00 0.00 C +ATOM 463 CA GLY A 463 880.233 869.812 851.864 1.00 0.00 C +ATOM 464 CA PRO A 464 877.879 868.464 849.189 1.00 0.00 C +ATOM 465 CA GLU A 465 878.825 864.829 848.553 1.00 0.00 C +ATOM 466 CA GLU A 466 878.257 861.349 847.108 1.00 0.00 C +ATOM 467 CA ASP A 467 878.178 858.100 845.120 1.00 0.00 C +ATOM 468 CA SER A 468 880.423 855.027 845.301 1.00 0.00 C +ATOM 469 CA GLY A 469 883.247 855.824 847.731 1.00 0.00 C +ATOM 470 CA SER A 470 886.751 856.570 849.027 1.00 0.00 C +ATOM 471 CA SER A 471 889.557 857.043 851.560 1.00 0.00 C +ATOM 472 CA GLU A 472 892.720 855.622 853.140 1.00 0.00 C +ATOM 473 CA GLU A 473 893.980 855.121 856.700 1.00 0.00 C +ATOM 474 CA GLU A 474 895.455 853.528 859.831 1.00 0.00 C +ATOM 475 CA SER A 475 897.234 855.962 862.161 1.00 0.00 C +ATOM 476 CA ASP A 476 899.149 854.020 864.821 1.00 0.00 C +ATOM 477 CA SER A 477 902.632 854.188 866.356 1.00 0.00 C +ATOM 478 CA GLU A 478 906.072 852.551 866.400 1.00 0.00 C +ATOM 479 CA GLU A 479 909.762 851.612 866.270 1.00 0.00 C +ATOM 480 CA GLU A 480 911.078 848.393 864.713 1.00 0.00 C +ATOM 481 CA ALA A 481 908.550 845.542 864.687 1.00 0.00 C +ATOM 482 CA GLU A 482 904.890 846.440 865.254 1.00 0.00 C +ATOM 483 CA THR A 483 902.725 845.925 868.346 1.00 0.00 C +ATOM 484 CA LEU A 484 899.206 845.108 869.556 1.00 0.00 C +ATOM 485 CA ALA A 485 895.458 844.427 869.581 1.00 0.00 C +ATOM 486 CA GLN A 486 891.878 844.674 868.299 1.00 0.00 C +ATOM 487 CA VAL A 487 890.071 842.003 866.270 1.00 0.00 C +ATOM 488 CA LYS A 488 886.471 842.962 865.472 1.00 0.00 C +ATOM 489 CA PRO A 489 884.298 841.578 868.278 1.00 0.00 C +ATOM 490 CA SER A 490 881.734 839.306 869.946 1.00 0.00 C +ATOM 491 CA GLY A 491 877.945 839.129 870.299 1.00 0.00 C +ATOM 492 CA LYS A 492 875.848 836.198 869.063 1.00 0.00 C +ATOM 493 CA THR A 493 872.948 833.986 870.165 1.00 0.00 C +ATOM 494 CA HIS A 494 872.192 834.385 873.878 1.00 0.00 C +ATOM 495 CA GLN A 495 869.904 835.508 876.709 1.00 0.00 C +ATOM 496 CA ILE A 496 866.647 836.776 875.191 1.00 0.00 C +ATOM 497 CA ARG A 497 863.355 837.812 876.806 1.00 0.00 C +ATOM 498 CA ALA A 498 860.525 837.024 874.380 1.00 0.00 C +ATOM 499 CA ALA A 499 857.309 836.628 876.384 1.00 0.00 C +ATOM 500 CA LEU A 500 853.592 836.937 877.163 1.00 0.00 C +ATOM 501 CA ALA A 501 850.102 838.465 877.223 1.00 0.00 C +ATOM 502 CA PRO A 502 846.511 839.559 876.576 1.00 0.00 C +ATOM 503 CA ALA A 503 843.774 839.310 879.215 1.00 0.00 C +ATOM 504 CA LYS A 504 842.213 837.898 882.391 1.00 0.00 C +ATOM 505 CA GLU A 505 842.524 834.114 882.066 1.00 0.00 C +ATOM 506 CA SER A 506 845.698 833.296 880.125 1.00 0.00 C +ATOM 507 CA PRO A 507 848.732 831.040 879.649 1.00 0.00 C +ATOM 508 CA ARG A 508 849.625 829.348 876.354 1.00 0.00 C +ATOM 509 CA LYS A 509 849.209 828.987 872.584 1.00 0.00 C +ATOM 510 CA GLY A 510 850.488 828.367 869.049 1.00 0.00 C +ATOM 511 CA ALA A 511 853.510 827.579 866.867 1.00 0.00 C +ATOM 512 CA ALA A 512 856.582 825.798 865.487 1.00 0.00 C +ATOM 513 CA PRO A 513 858.119 822.927 867.466 1.00 0.00 C +ATOM 514 CA THR A 514 856.133 822.466 870.684 1.00 0.00 C +ATOM 515 CA PRO A 515 858.392 823.427 873.598 1.00 0.00 C +ATOM 516 CA PRO A 516 857.399 825.216 876.811 1.00 0.00 C +ATOM 517 CA GLY A 517 858.458 823.062 879.770 1.00 0.00 C +ATOM 518 CA LYS A 518 862.084 822.166 880.525 1.00 0.00 C +ATOM 519 CA THR A 519 863.433 822.058 884.086 1.00 0.00 C +ATOM 520 CA GLY A 520 865.071 825.346 885.098 1.00 0.00 C +ATOM 521 CA PRO A 521 866.793 825.255 888.496 1.00 0.00 C +ATOM 522 CA SER A 522 865.876 823.428 891.711 1.00 0.00 C +ATOM 523 CA ALA A 523 862.692 821.638 892.794 1.00 0.00 C +ATOM 524 CA ALA A 524 861.328 818.344 891.449 1.00 0.00 C +ATOM 525 CA GLN A 525 860.710 814.895 889.955 1.00 0.00 C +ATOM 526 CA ALA A 526 858.190 814.023 887.233 1.00 0.00 C +ATOM 527 CA GLY A 527 858.512 815.643 883.799 1.00 0.00 C +ATOM 528 CA LYS A 528 861.065 814.175 881.381 1.00 0.00 C +ATOM 529 CA GLN A 529 860.830 811.531 878.649 1.00 0.00 C +ATOM 530 CA ASP A 530 861.529 808.660 876.243 1.00 0.00 C +ATOM 531 CA ASP A 531 862.047 805.424 874.300 1.00 0.00 C +ATOM 532 CA SER A 532 864.906 804.662 871.900 1.00 0.00 C +ATOM 533 CA GLY A 533 864.448 802.185 869.042 1.00 0.00 C +ATOM 534 CA SER A 534 862.536 802.955 865.837 1.00 0.00 C +ATOM 535 CA SER A 535 863.842 801.207 862.713 1.00 0.00 C +ATOM 536 CA SER A 536 861.647 801.789 859.654 1.00 0.00 C +ATOM 537 CA GLU A 537 857.885 802.349 859.877 1.00 0.00 C +ATOM 538 CA GLU A 538 856.223 804.714 862.360 1.00 0.00 C +ATOM 539 CA SER A 539 856.023 808.287 863.667 1.00 0.00 C +ATOM 540 CA ASP A 540 854.681 811.747 862.803 1.00 0.00 C +ATOM 541 CA SER A 541 852.101 813.936 861.051 1.00 0.00 C +ATOM 542 CA ASP A 542 848.794 812.972 862.677 1.00 0.00 C +ATOM 543 CA GLY A 543 846.213 815.722 862.133 1.00 0.00 C +ATOM 544 CA GLU A 544 842.518 816.152 862.955 1.00 0.00 C +ATOM 545 CA ALA A 545 839.617 815.923 865.414 1.00 0.00 C +ATOM 546 CA PRO A 546 837.132 815.904 868.303 1.00 0.00 C +ATOM 547 CA ALA A 547 834.509 817.668 870.429 1.00 0.00 C +ATOM 548 CA ALA A 548 832.215 816.541 873.254 1.00 0.00 C +ATOM 549 CA VAL A 549 832.526 818.488 876.515 1.00 0.00 C +ATOM 550 CA THR A 550 831.733 819.386 880.132 1.00 0.00 C +ATOM 551 CA SER A 551 834.141 818.485 882.944 1.00 0.00 C +ATOM 552 CA ALA A 552 837.158 820.375 884.301 1.00 0.00 C +ATOM 553 CA GLN A 553 839.265 822.697 882.138 1.00 0.00 C +ATOM 554 CA VAL A 554 839.079 821.547 878.510 1.00 0.00 C +ATOM 555 CA ILE A 555 840.702 819.353 875.851 1.00 0.00 C +ATOM 556 CA LYS A 556 839.888 815.631 875.849 1.00 0.00 C +ATOM 557 CA PRO A 557 839.459 813.566 879.022 1.00 0.00 C +ATOM 558 CA PRO A 558 839.930 814.705 882.627 1.00 0.00 C +ATOM 559 CA LEU A 559 840.348 814.336 886.396 1.00 0.00 C +ATOM 560 CA ILE A 560 841.402 811.024 887.958 1.00 0.00 C +ATOM 561 CA PHE A 561 840.372 808.464 890.585 1.00 0.00 C +ATOM 562 CA VAL A 562 838.571 805.153 890.025 1.00 0.00 C +ATOM 563 CA ASP A 563 835.855 804.731 887.386 1.00 0.00 C +ATOM 564 CA PRO A 564 834.572 803.724 883.943 1.00 0.00 C +ATOM 565 CA ASN A 565 830.881 804.629 883.680 1.00 0.00 C +ATOM 566 CA ARG A 566 830.304 806.203 880.259 1.00 0.00 C +ATOM 567 CA SER A 567 829.348 809.888 880.116 1.00 0.00 C +ATOM 568 CA PRO A 568 825.879 811.464 880.080 1.00 0.00 C +ATOM 569 CA ALA A 569 826.216 815.193 880.788 1.00 0.00 C +ATOM 570 CA GLY A 570 825.183 817.311 877.794 1.00 0.00 C +ATOM 571 CA PRO A 571 823.079 820.448 877.294 1.00 0.00 C +ATOM 572 CA ALA A 572 822.335 822.183 873.984 1.00 0.00 C +ATOM 573 CA ALA A 573 820.699 822.375 870.549 1.00 0.00 C +ATOM 574 CA THR A 574 819.608 825.911 869.642 1.00 0.00 C +ATOM 575 CA PRO A 575 822.214 828.225 871.181 1.00 0.00 C +ATOM 576 CA ALA A 576 825.696 827.333 869.916 1.00 0.00 C +ATOM 577 CA GLN A 577 828.417 825.781 872.083 1.00 0.00 C +ATOM 578 CA ALA A 578 831.111 823.097 871.847 1.00 0.00 C +ATOM 579 CA GLN A 579 833.896 824.512 869.665 1.00 0.00 C +ATOM 580 CA ALA A 580 835.583 823.216 866.505 1.00 0.00 C +ATOM 581 CA ALA A 581 837.771 823.901 863.462 1.00 0.00 C +ATOM 582 CA SER A 582 839.255 822.034 860.490 1.00 0.00 C +ATOM 583 CA THR A 583 841.752 820.942 857.828 1.00 0.00 C +ATOM 584 CA PRO A 584 842.642 820.005 854.244 1.00 0.00 C +ATOM 585 CA ARG A 585 841.347 816.441 853.874 1.00 0.00 C +ATOM 586 CA LYS A 586 838.670 815.471 856.406 1.00 0.00 C +ATOM 587 CA ALA A 587 836.318 812.712 855.234 1.00 0.00 C +ATOM 588 CA ARG A 588 833.676 812.582 852.492 1.00 0.00 C +ATOM 589 CA ALA A 589 830.426 811.470 854.139 1.00 0.00 C +ATOM 590 CA SER A 590 830.850 810.265 857.728 1.00 0.00 C +ATOM 591 CA GLU A 591 830.776 806.456 857.799 1.00 0.00 C +ATOM 592 CA SER A 592 828.582 803.698 856.353 1.00 0.00 C +ATOM 593 CA THR A 593 826.151 800.889 857.201 1.00 0.00 C +ATOM 594 CA ALA A 594 824.851 797.383 856.472 1.00 0.00 C +ATOM 595 CA ARG A 595 823.660 794.072 855.011 1.00 0.00 C +ATOM 596 CA SER A 596 820.911 792.497 857.127 1.00 0.00 C +ATOM 597 CA SER A 597 818.404 795.238 857.974 1.00 0.00 C +ATOM 598 CA SER A 598 818.682 797.560 860.982 1.00 0.00 C +ATOM 599 CA SER A 599 816.240 800.110 862.414 1.00 0.00 C +ATOM 600 CA GLU A 600 817.204 801.525 865.817 1.00 0.00 C +ATOM 601 CA SER A 601 814.735 801.823 868.704 1.00 0.00 C +ATOM 602 CA GLU A 602 810.934 802.046 868.839 1.00 0.00 C +ATOM 603 CA ASP A 603 807.354 802.972 869.756 1.00 0.00 C +ATOM 604 CA GLU A 604 806.001 803.559 873.269 1.00 0.00 C +ATOM 605 CA ASP A 605 803.605 806.512 873.030 1.00 0.00 C +ATOM 606 CA VAL A 606 803.143 808.798 870.017 1.00 0.00 C +ATOM 607 CA ILE A 607 803.650 812.469 870.903 1.00 0.00 C +ATOM 608 CA PRO A 608 806.064 814.012 873.414 1.00 0.00 C +ATOM 609 CA ALA A 609 809.833 814.392 873.823 1.00 0.00 C +ATOM 610 CA THR A 610 813.288 815.996 873.748 1.00 0.00 C +ATOM 611 CA GLN A 611 813.854 819.356 875.453 1.00 0.00 C +ATOM 612 CA CYS A 612 814.975 821.056 878.674 1.00 0.00 C +ATOM 613 CA LEU A 613 817.337 821.026 881.664 1.00 0.00 C +ATOM 614 CA THR A 614 817.805 821.741 885.376 1.00 0.00 C +ATOM 615 CA PRO A 615 817.075 818.504 887.248 1.00 0.00 C +ATOM 616 CA GLY A 616 815.121 815.549 885.844 1.00 0.00 C +ATOM 617 CA ILE A 617 813.142 813.726 888.542 1.00 0.00 C +ATOM 618 CA ARG A 618 810.149 815.576 890.001 1.00 0.00 C +ATOM 619 CA THR A 619 809.041 816.045 893.616 1.00 0.00 C +ATOM 620 CA ASN A 620 806.113 817.240 895.740 1.00 0.00 C +ATOM 621 CA VAL A 621 803.185 819.455 896.759 1.00 0.00 C +ATOM 622 CA VAL A 622 801.974 821.135 899.958 1.00 0.00 C +ATOM 623 CA THR A 623 798.405 822.456 899.784 1.00 0.00 C +ATOM 624 CA MET A 624 796.006 821.677 896.929 1.00 0.00 C +ATOM 625 CA PRO A 625 796.358 820.535 893.311 1.00 0.00 C +ATOM 626 CA THR A 626 794.633 818.003 891.046 1.00 0.00 C +ATOM 627 CA ALA A 627 793.857 819.473 887.618 1.00 0.00 C +ATOM 628 CA HIS A 628 790.199 820.521 887.822 1.00 0.00 C +ATOM 629 CA PRO A 629 787.393 821.783 885.575 1.00 0.00 C +ATOM 630 CA ARG A 630 783.619 822.289 885.692 1.00 0.00 C +ATOM 631 CA ILE A 631 782.153 818.822 886.283 1.00 0.00 C +ATOM 632 CA ALA A 632 783.688 816.861 889.167 1.00 0.00 C +ATOM 633 CA PRO A 633 782.307 813.334 888.758 1.00 0.00 C +ATOM 634 CA LYS A 634 778.503 813.251 888.950 1.00 0.00 C +ATOM 635 CA ALA A 635 776.793 813.782 885.587 1.00 0.00 C +ATOM 636 CA SER A 636 776.256 811.005 883.035 1.00 0.00 C +ATOM 637 CA MET A 637 776.123 812.556 879.558 1.00 0.00 C +ATOM 638 CA ALA A 638 774.915 815.767 877.900 1.00 0.00 C +ATOM 639 CA GLY A 639 774.646 819.566 878.000 1.00 0.00 C +ATOM 640 CA ALA A 640 776.613 822.823 877.808 1.00 0.00 C +ATOM 641 CA SER A 641 780.192 821.744 877.074 1.00 0.00 C +ATOM 642 CA SER A 642 783.000 823.936 875.723 1.00 0.00 C +ATOM 643 CA SER A 643 784.944 827.207 875.527 1.00 0.00 C +ATOM 644 CA LYS A 644 784.239 830.945 875.747 1.00 0.00 C +ATOM 645 CA GLU A 645 787.221 832.564 874.015 1.00 0.00 C +ATOM 646 CA SER A 646 788.615 835.678 872.319 1.00 0.00 C +ATOM 647 CA SER A 647 790.560 838.363 870.441 1.00 0.00 C +ATOM 648 CA ARG A 648 793.504 839.362 872.643 1.00 0.00 C +ATOM 649 CA ILE A 649 793.551 843.114 873.302 1.00 0.00 C +ATOM 650 CA SER A 650 796.986 844.000 874.693 1.00 0.00 C +ATOM 651 CA ASP A 651 797.631 847.747 874.443 1.00 0.00 C +ATOM 652 CA GLY A 652 800.359 850.382 874.797 1.00 0.00 C +ATOM 653 CA LYS A 653 804.042 851.265 874.381 1.00 0.00 C +ATOM 654 CA LYS A 654 807.802 850.817 874.803 1.00 0.00 C +ATOM 655 CA GLN A 655 810.513 848.183 875.287 1.00 0.00 C +ATOM 656 CA GLU A 656 812.645 846.363 877.867 1.00 0.00 C +ATOM 657 CA GLY A 657 811.403 845.303 881.309 1.00 0.00 C +ATOM 658 CA PRO A 658 809.722 848.301 882.954 1.00 0.00 C +ATOM 659 CA ALA A 659 812.101 851.223 882.387 1.00 0.00 C +ATOM 660 CA THR A 660 811.427 853.309 879.271 1.00 0.00 C +ATOM 661 CA GLN A 661 813.419 856.553 879.438 1.00 0.00 C +ATOM 662 CA VAL A 662 815.734 856.545 876.412 1.00 0.00 C +ATOM 663 CA SER A 663 815.112 856.975 872.678 1.00 0.00 C +ATOM 664 CA LYS A 664 818.390 857.513 870.812 1.00 0.00 C +ATOM 665 CA LYS A 665 817.925 856.318 867.225 1.00 0.00 C +ATOM 666 CA ASN A 666 814.582 856.831 865.469 1.00 0.00 C +ATOM 667 CA PRO A 667 812.792 860.164 865.025 1.00 0.00 C +ATOM 668 CA ALA A 668 814.041 862.135 862.013 1.00 0.00 C +ATOM 669 CA SER A 669 812.435 865.543 861.445 1.00 0.00 C +ATOM 670 CA LEU A 670 812.900 868.215 858.769 1.00 0.00 C +ATOM 671 CA PRO A 671 813.115 871.962 859.427 1.00 0.00 C +ATOM 672 CA LEU A 672 813.201 875.747 859.003 1.00 0.00 C +ATOM 673 CA THR A 673 814.005 879.438 859.496 1.00 0.00 C +ATOM 674 CA GLN A 674 814.956 882.303 861.820 1.00 0.00 C +ATOM 675 CA ALA A 675 812.493 884.096 864.108 1.00 0.00 C +ATOM 676 CA ALA A 676 809.503 885.979 862.685 1.00 0.00 C +ATOM 677 CA LEU A 677 806.372 887.946 861.764 1.00 0.00 C +ATOM 678 CA LYS A 678 805.003 890.050 864.630 1.00 0.00 C +ATOM 679 CA VAL A 679 802.555 892.887 863.937 1.00 0.00 C +ATOM 680 CA LEU A 680 803.331 896.512 864.816 1.00 0.00 C +ATOM 681 CA ALA A 681 801.194 899.399 866.087 1.00 0.00 C +ATOM 682 CA GLN A 682 799.097 899.529 869.265 1.00 0.00 C +ATOM 683 CA LYS A 683 799.946 899.010 872.943 1.00 0.00 C +ATOM 684 CA ALA A 684 803.185 898.554 874.897 1.00 0.00 C +ATOM 685 CA SER A 685 805.556 896.888 877.371 1.00 0.00 C +ATOM 686 CA GLU A 686 805.595 895.900 881.050 1.00 0.00 C +ATOM 687 CA ALA A 687 803.486 892.971 882.271 1.00 0.00 C +ATOM 688 CA GLN A 688 803.506 890.819 885.415 1.00 0.00 C +ATOM 689 CA PRO A 689 801.522 891.210 888.644 1.00 0.00 C +ATOM 690 CA PRO A 690 800.772 888.059 890.651 1.00 0.00 C +ATOM 691 CA VAL A 691 798.838 885.526 892.738 1.00 0.00 C +ATOM 692 CA ALA A 692 800.913 882.773 894.361 1.00 0.00 C +ATOM 693 CA ARG A 693 804.076 880.689 894.774 1.00 0.00 C +ATOM 694 CA THR A 694 804.436 878.529 891.656 1.00 0.00 C +ATOM 695 CA GLN A 695 805.521 874.878 891.766 1.00 0.00 C +ATOM 696 CA PRO A 696 804.995 873.368 895.224 1.00 0.00 C +ATOM 697 CA SER A 697 802.806 871.009 897.264 1.00 0.00 C +ATOM 698 CA SER A 698 801.767 867.382 897.790 1.00 0.00 C +ATOM 699 CA GLY A 699 802.383 863.713 896.967 1.00 0.00 C +ATOM 700 CA VAL A 700 804.807 861.174 895.486 1.00 0.00 C +ATOM 701 CA SER A 701 807.938 859.066 894.965 1.00 0.00 C +ATOM 702 CA LEU A 702 810.879 861.141 893.716 1.00 0.00 C +ATOM 703 CA GLY A 703 813.225 864.112 894.139 1.00 0.00 C +ATOM 704 CA SER A 704 816.973 863.423 894.149 1.00 0.00 C +ATOM 705 CA GLN A 705 817.732 860.758 891.535 1.00 0.00 C +ATOM 706 CA GLY A 706 818.216 857.097 890.598 1.00 0.00 C +ATOM 707 CA LYS A 707 818.730 854.596 887.770 1.00 0.00 C +ATOM 708 CA GLN A 708 819.725 854.144 884.121 1.00 0.00 C +ATOM 709 CA ALA A 709 823.194 855.703 883.894 1.00 0.00 C +ATOM 710 CA HIS A 710 823.187 858.549 881.361 1.00 0.00 C +ATOM 711 CA GLY A 711 825.902 861.220 881.262 1.00 0.00 C +ATOM 712 CA ALA A 712 826.256 863.819 884.025 1.00 0.00 C +TER 713 ALA A 712 +END diff --git a/Mammals/Q59GL4/Q59GL4.dcd b/Mammals/Q59GL4/Q59GL4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..84651a2e98dc91059a2c79b125f4782940d53d3e --- /dev/null +++ b/Mammals/Q59GL4/Q59GL4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5849bc1fa0a6f73f015977e1f255ad4ab85a4f69dc41118fe65791e617d8c3e6 +size 88000276 diff --git a/Mammals/Q59GL4/top.pdb b/Mammals/Q59GL4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..6060f26035308148af43b8bcd78f95b2c0d0a6a1 --- /dev/null +++ b/Mammals/Q59GL4/top.pdb @@ -0,0 +1,364 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 920.000 920.000 920.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 395.766 546.790 491.112 1.00 0.00 C +ATOM 2 CA SER A 2 393.283 548.559 493.397 1.00 0.00 C +ATOM 3 CA GLN A 3 394.517 551.956 494.604 1.00 0.00 C +ATOM 4 CA SER A 4 392.656 554.843 496.251 1.00 0.00 C +ATOM 5 CA ASP A 5 393.622 558.312 497.497 1.00 0.00 C +ATOM 6 CA ASP A 6 394.758 561.171 495.249 1.00 0.00 C +ATOM 7 CA ARG A 7 396.839 564.359 495.396 1.00 0.00 C +ATOM 8 CA ASP A 8 400.041 566.389 495.776 1.00 0.00 C +ATOM 9 CA SER A 9 401.058 567.877 499.132 1.00 0.00 C +ATOM 10 CA LYS A 10 402.826 568.644 502.419 1.00 0.00 C +ATOM 11 CA ARG A 11 401.887 570.954 505.300 1.00 0.00 C +ATOM 12 CA ASP A 12 404.348 572.975 507.392 1.00 0.00 C +ATOM 13 CA SER A 13 407.308 570.870 508.542 1.00 0.00 C +ATOM 14 CA LEU A 14 408.748 568.766 505.710 1.00 0.00 C +ATOM 15 CA GLU A 15 411.718 566.480 505.023 1.00 0.00 C +ATOM 16 CA GLU A 16 414.931 564.440 505.192 1.00 0.00 C +ATOM 17 CA GLY A 17 417.920 563.976 502.875 1.00 0.00 C +ATOM 18 CA GLU A 18 421.574 563.355 503.757 1.00 0.00 C +ATOM 19 CA LEU A 19 424.567 565.631 503.146 1.00 0.00 C +ATOM 20 CA ARG A 20 426.773 565.715 500.041 1.00 0.00 C +ATOM 21 CA ASP A 21 427.934 562.155 499.332 1.00 0.00 C +ATOM 22 CA HIS A 22 425.223 559.937 497.834 1.00 0.00 C +ATOM 23 CA CYS A 23 421.721 559.191 499.138 1.00 0.00 C +ATOM 24 CA MET A 24 420.889 556.854 502.029 1.00 0.00 C +ATOM 25 CA GLU A 25 422.623 553.572 502.891 1.00 0.00 C +ATOM 26 CA ILE A 26 420.046 550.797 503.308 1.00 0.00 C +ATOM 27 CA THR A 27 418.194 547.991 501.516 1.00 0.00 C +ATOM 28 CA ILE A 28 416.101 548.766 498.428 1.00 0.00 C +ATOM 29 CA ARG A 29 415.089 545.721 496.374 1.00 0.00 C +ATOM 30 CA ASN A 30 414.067 542.107 495.732 1.00 0.00 C +ATOM 31 CA SER A 31 410.724 540.866 494.390 1.00 0.00 C +ATOM 32 CA PRO A 32 406.935 540.688 494.747 1.00 0.00 C +ATOM 33 CA TYR A 33 404.703 537.610 494.996 1.00 0.00 C +ATOM 34 CA ARG A 34 403.469 534.008 495.128 1.00 0.00 C +ATOM 35 CA ARG A 35 404.021 530.253 494.792 1.00 0.00 C +ATOM 36 CA GLU A 36 401.072 528.053 495.780 1.00 0.00 C +ATOM 37 CA ASP A 37 398.133 525.876 496.848 1.00 0.00 C +ATOM 38 CA SER A 38 395.190 523.568 497.577 1.00 0.00 C +ATOM 39 CA MET A 39 395.291 520.231 499.413 1.00 0.00 C +ATOM 40 CA GLU A 40 394.215 519.982 503.059 1.00 0.00 C +ATOM 41 CA ASP A 41 393.761 516.693 504.928 1.00 0.00 C +ATOM 42 CA ARG A 42 395.296 516.524 508.412 1.00 0.00 C +ATOM 43 CA GLY A 43 395.677 519.494 510.767 1.00 0.00 C +ATOM 44 CA GLU A 44 396.725 518.316 514.236 1.00 0.00 C +ATOM 45 CA GLU A 45 399.553 516.416 515.941 1.00 0.00 C +ATOM 46 CA ASP A 46 403.069 517.033 517.274 1.00 0.00 C +ATOM 47 CA ASP A 47 405.263 514.388 518.920 1.00 0.00 C +ATOM 48 CA SER A 48 407.841 511.644 518.339 1.00 0.00 C +ATOM 49 CA LEU A 49 409.617 508.700 516.697 1.00 0.00 C +ATOM 50 CA ALA A 50 410.972 505.142 516.556 1.00 0.00 C +ATOM 51 CA ILE A 51 408.790 502.025 516.745 1.00 0.00 C +ATOM 52 CA LYS A 52 407.913 499.587 513.952 1.00 0.00 C +ATOM 53 CA PRO A 53 406.642 496.296 515.391 1.00 0.00 C +ATOM 54 CA PRO A 54 406.384 492.499 515.208 1.00 0.00 C +ATOM 55 CA GLN A 55 405.806 491.720 511.524 1.00 0.00 C +ATOM 56 CA GLN A 56 409.200 490.886 510.008 1.00 0.00 C +ATOM 57 CA MET A 57 413.010 490.857 510.011 1.00 0.00 C +ATOM 58 CA SER A 58 414.300 487.558 508.609 1.00 0.00 C +ATOM 59 CA TRP A 59 415.407 483.933 508.996 1.00 0.00 C +ATOM 60 CA LYS A 60 417.521 480.972 507.865 1.00 0.00 C +ATOM 61 CA GLU A 61 418.706 478.206 505.528 1.00 0.00 C +ATOM 62 CA LYS A 62 421.815 476.565 504.059 1.00 0.00 C +ATOM 63 CA VAL A 63 421.255 475.923 500.345 1.00 0.00 C +ATOM 64 CA HIS A 64 421.925 479.283 498.678 1.00 0.00 C +ATOM 65 CA HIS A 65 420.367 479.259 495.202 1.00 0.00 C +ATOM 66 CA ARG A 66 420.946 476.925 492.247 1.00 0.00 C +ATOM 67 CA LYS A 67 423.917 474.572 491.854 1.00 0.00 C +ATOM 68 CA ASP A 68 426.870 472.598 493.232 1.00 0.00 C +ATOM 69 CA GLU A 69 428.886 469.833 494.906 1.00 0.00 C +ATOM 70 CA LYS A 70 430.229 466.780 496.748 1.00 0.00 C +ATOM 71 CA ARG A 71 432.379 467.185 499.867 1.00 0.00 C +ATOM 72 CA LYS A 72 431.186 466.160 503.337 1.00 0.00 C +ATOM 73 CA GLU A 73 431.923 468.002 506.590 1.00 0.00 C +ATOM 74 CA LYS A 74 433.463 471.481 506.386 1.00 0.00 C +ATOM 75 CA TRP A 75 434.472 475.028 505.430 1.00 0.00 C +ATOM 76 CA LYS A 76 438.231 475.125 504.817 1.00 0.00 C +ATOM 77 CA HIS A 77 440.055 476.445 501.743 1.00 0.00 C +ATOM 78 CA ALA A 78 442.418 476.466 498.755 1.00 0.00 C +ATOM 79 CA ARG A 79 445.073 475.106 496.385 1.00 0.00 C +ATOM 80 CA VAL A 80 448.700 474.185 497.101 1.00 0.00 C +ATOM 81 CA LYS A 81 448.661 472.426 500.480 1.00 0.00 C +ATOM 82 CA GLU A 82 451.175 472.502 503.342 1.00 0.00 C +ATOM 83 CA ARG A 83 450.387 473.014 507.035 1.00 0.00 C +ATOM 84 CA GLU A 84 453.527 474.657 508.436 1.00 0.00 C +ATOM 85 CA HIS A 85 456.808 472.729 508.251 1.00 0.00 C +ATOM 86 CA GLU A 86 458.989 471.063 505.608 1.00 0.00 C +ATOM 87 CA ARG A 87 459.520 467.370 506.378 1.00 0.00 C +ATOM 88 CA ARG A 88 461.826 464.790 504.783 1.00 0.00 C +ATOM 89 CA LYS A 89 463.580 461.593 505.887 1.00 0.00 C +ATOM 90 CA ARG A 90 466.769 459.571 506.394 1.00 0.00 C +ATOM 91 CA HIS A 91 469.207 457.381 504.451 1.00 0.00 C +ATOM 92 CA ARG A 92 471.371 454.271 504.051 1.00 0.00 C +ATOM 93 CA GLU A 93 474.555 452.422 505.032 1.00 0.00 C +ATOM 94 CA GLU A 94 477.706 452.799 502.925 1.00 0.00 C +ATOM 95 CA GLN A 95 480.996 450.881 503.018 1.00 0.00 C +ATOM 96 CA ASP A 96 484.156 451.864 501.129 1.00 0.00 C +ATOM 97 CA LYS A 97 485.131 453.201 497.697 1.00 0.00 C +ATOM 98 CA ALA A 98 482.188 453.203 495.277 1.00 0.00 C +ATOM 99 CA ARG A 99 480.447 456.544 494.705 1.00 0.00 C +ATOM 100 CA ARG A 100 482.684 459.580 495.246 1.00 0.00 C +ATOM 101 CA GLU A 101 481.262 463.106 495.490 1.00 0.00 C +ATOM 102 CA TRP A 102 482.497 465.743 493.033 1.00 0.00 C +ATOM 103 CA GLU A 103 483.438 468.996 494.780 1.00 0.00 C +ATOM 104 CA ARG A 104 482.905 472.584 495.944 1.00 0.00 C +ATOM 105 CA GLN A 105 479.717 474.136 494.551 1.00 0.00 C +ATOM 106 CA LYS A 106 476.076 475.226 494.283 1.00 0.00 C +ATOM 107 CA ARG A 107 473.661 472.576 492.995 1.00 0.00 C +ATOM 108 CA ARG A 108 472.780 469.534 495.114 1.00 0.00 C +ATOM 109 CA GLU A 109 474.089 467.273 497.887 1.00 0.00 C +ATOM 110 CA MET A 110 473.401 463.663 496.882 1.00 0.00 C +ATOM 111 CA ALA A 111 470.270 461.719 497.847 1.00 0.00 C +ATOM 112 CA ARG A 112 466.579 462.498 498.379 1.00 0.00 C +ATOM 113 CA GLU A 113 462.784 462.482 498.035 1.00 0.00 C +ATOM 114 CA HIS A 114 461.829 458.852 497.386 1.00 0.00 C +ATOM 115 CA SER A 115 461.385 456.847 494.177 1.00 0.00 C +ATOM 116 CA ARG A 116 462.916 453.526 493.106 1.00 0.00 C +ATOM 117 CA ARG A 117 463.490 451.607 489.865 1.00 0.00 C +ATOM 118 CA GLU A 118 460.465 451.541 487.550 1.00 0.00 C +ATOM 119 CA ARG A 119 457.438 449.544 488.719 1.00 0.00 C +ATOM 120 CA ASP A 120 456.770 445.862 489.436 1.00 0.00 C +ATOM 121 CA ARG A 121 454.640 443.649 487.182 1.00 0.00 C +ATOM 122 CA LEU A 122 454.876 439.850 487.362 1.00 0.00 C +ATOM 123 CA GLU A 123 451.833 437.588 487.732 1.00 0.00 C +ATOM 124 CA GLN A 124 449.014 439.031 485.614 1.00 0.00 C +ATOM 125 CA LEU A 125 445.936 440.582 487.238 1.00 0.00 C +ATOM 126 CA GLU A 126 442.253 440.900 488.161 1.00 0.00 C +ATOM 127 CA ARG A 127 438.894 442.659 487.792 1.00 0.00 C +ATOM 128 CA LYS A 128 436.562 445.638 488.241 1.00 0.00 C +ATOM 129 CA ARG A 129 436.051 448.210 491.005 1.00 0.00 C +ATOM 130 CA GLU A 130 435.199 450.381 494.018 1.00 0.00 C +ATOM 131 CA ARG A 131 435.314 452.915 496.861 1.00 0.00 C +ATOM 132 CA GLU A 132 438.033 455.179 498.275 1.00 0.00 C +ATOM 133 CA ARG A 133 441.388 453.544 497.509 1.00 0.00 C +ATOM 134 CA LYS A 134 443.146 452.690 494.239 1.00 0.00 C +ATOM 135 CA MET A 135 440.691 452.922 491.335 1.00 0.00 C +ATOM 136 CA ARG A 136 438.313 454.333 488.714 1.00 0.00 C +ATOM 137 CA GLU A 137 439.892 455.389 485.411 1.00 0.00 C +ATOM 138 CA GLN A 138 442.587 458.023 485.971 1.00 0.00 C +ATOM 139 CA GLN A 139 446.114 458.765 484.736 1.00 0.00 C +ATOM 140 CA LYS A 140 446.314 461.115 481.743 1.00 0.00 C +ATOM 141 CA GLU A 141 447.036 460.474 478.058 1.00 0.00 C +ATOM 142 CA GLN A 142 444.574 458.520 475.904 1.00 0.00 C +ATOM 143 CA ARG A 143 441.664 457.182 477.967 1.00 0.00 C +ATOM 144 CA GLU A 144 437.900 456.737 477.575 1.00 0.00 C +ATOM 145 CA GLN A 145 435.044 457.594 475.205 1.00 0.00 C +ATOM 146 CA LYS A 146 432.667 457.526 472.228 1.00 0.00 C +ATOM 147 CA GLU A 147 432.418 454.361 470.121 1.00 0.00 C +ATOM 148 CA ARG A 148 430.970 451.751 467.753 1.00 0.00 C +ATOM 149 CA GLU A 149 431.396 452.708 464.090 1.00 0.00 C +ATOM 150 CA ARG A 150 432.524 450.973 460.891 1.00 0.00 C +ATOM 151 CA ARG A 151 434.716 447.914 461.485 1.00 0.00 C +ATOM 152 CA ALA A 152 436.844 444.754 461.536 1.00 0.00 C +ATOM 153 CA GLU A 153 437.258 441.503 459.592 1.00 0.00 C +ATOM 154 CA GLU A 154 435.267 438.588 458.161 1.00 0.00 C +ATOM 155 CA ARG A 155 437.155 435.305 458.575 1.00 0.00 C +ATOM 156 CA ARG A 156 435.851 432.994 461.308 1.00 0.00 C +ATOM 157 CA LYS A 157 438.361 431.880 463.949 1.00 0.00 C +ATOM 158 CA GLU A 158 439.035 430.848 467.554 1.00 0.00 C +ATOM 159 CA ARG A 159 439.342 427.154 468.437 1.00 0.00 C +ATOM 160 CA GLU A 160 439.159 424.174 466.071 1.00 0.00 C +ATOM 161 CA ALA A 161 437.727 421.318 468.147 1.00 0.00 C +ATOM 162 CA ARG A 162 435.198 418.672 469.206 1.00 0.00 C +ATOM 163 CA ARG A 163 431.447 418.865 468.569 1.00 0.00 C +ATOM 164 CA GLU A 164 428.105 420.695 468.593 1.00 0.00 C +ATOM 165 CA VAL A 165 425.158 418.811 467.081 1.00 0.00 C +ATOM 166 CA SER A 166 424.257 415.796 469.229 1.00 0.00 C +ATOM 167 CA ALA A 167 426.611 413.159 470.651 1.00 0.00 C +ATOM 168 CA HIS A 168 428.266 413.773 474.027 1.00 0.00 C +ATOM 169 CA HIS A 169 430.583 415.872 476.204 1.00 0.00 C +ATOM 170 CA ARG A 170 431.827 418.504 478.663 1.00 0.00 C +ATOM 171 CA THR A 171 433.241 420.512 481.576 1.00 0.00 C +ATOM 172 CA MET A 172 433.322 423.322 484.146 1.00 0.00 C +ATOM 173 CA ARG A 173 433.398 427.080 483.523 1.00 0.00 C +ATOM 174 CA GLU A 174 432.383 427.927 479.950 1.00 0.00 C +ATOM 175 CA ASP A 175 433.327 431.429 478.783 1.00 0.00 C +ATOM 176 CA TYR A 176 432.634 433.275 475.523 1.00 0.00 C +ATOM 177 CA SER A 177 433.931 432.804 471.972 1.00 0.00 C +ATOM 178 CA ASP A 178 435.288 435.796 470.042 1.00 0.00 C +ATOM 179 CA LYS A 179 434.008 438.782 468.053 1.00 0.00 C +ATOM 180 CA VAL A 180 430.630 437.787 466.598 1.00 0.00 C +ATOM 181 CA LYS A 181 429.888 434.933 464.186 1.00 0.00 C +ATOM 182 CA ALA A 182 427.964 432.423 462.062 1.00 0.00 C +ATOM 183 CA SER A 183 427.323 429.808 459.366 1.00 0.00 C +ATOM 184 CA HIS A 184 426.423 430.888 455.825 1.00 0.00 C +ATOM 185 CA TRP A 185 427.486 434.495 455.211 1.00 0.00 C +ATOM 186 CA SER A 186 430.635 435.953 453.640 1.00 0.00 C +ATOM 187 CA ARG A 187 432.092 435.774 450.123 1.00 0.00 C +ATOM 188 CA SER A 188 434.980 438.174 449.476 1.00 0.00 C +ATOM 189 CA PRO A 189 438.412 436.794 448.564 1.00 0.00 C +ATOM 190 CA PRO A 190 439.952 437.624 445.179 1.00 0.00 C +ATOM 191 CA ARG A 191 442.702 440.251 444.942 1.00 0.00 C +ATOM 192 CA PRO A 192 445.587 442.064 446.647 1.00 0.00 C +ATOM 193 CA PRO A 193 448.083 443.235 449.277 1.00 0.00 C +ATOM 194 CA ARG A 194 451.222 445.379 449.022 1.00 0.00 C +ATOM 195 CA GLU A 195 452.069 448.617 447.202 1.00 0.00 C +ATOM 196 CA ARG A 196 451.755 452.384 447.676 1.00 0.00 C +ATOM 197 CA PHE A 197 452.547 454.405 450.807 1.00 0.00 C +ATOM 198 CA GLU A 198 454.878 453.317 453.618 1.00 0.00 C +ATOM 199 CA LEU A 199 456.715 450.077 452.816 1.00 0.00 C +ATOM 200 CA GLY A 200 460.463 450.445 453.393 1.00 0.00 C +ATOM 201 CA ASP A 201 461.698 450.772 456.983 1.00 0.00 C +ATOM 202 CA GLY A 202 463.396 454.053 457.912 1.00 0.00 C +ATOM 203 CA ARG A 203 466.901 454.154 456.419 1.00 0.00 C +ATOM 204 CA LYS A 204 468.791 450.869 456.810 1.00 0.00 C +ATOM 205 CA PRO A 205 469.207 447.894 454.466 1.00 0.00 C +ATOM 206 CA VAL A 206 470.901 449.375 451.392 1.00 0.00 C +ATOM 207 CA LYS A 207 471.867 447.796 448.062 1.00 0.00 C +ATOM 208 CA GLU A 208 471.412 444.168 446.989 1.00 0.00 C +ATOM 209 CA GLU A 209 471.695 441.674 449.856 1.00 0.00 C +ATOM 210 CA LYS A 210 473.422 438.283 449.680 1.00 0.00 C +ATOM 211 CA MET A 211 475.187 434.919 449.979 1.00 0.00 C +ATOM 212 CA GLU A 212 476.490 431.751 448.311 1.00 0.00 C +ATOM 213 CA GLU A 213 478.248 428.438 448.978 1.00 0.00 C +ATOM 214 CA ARG A 214 481.571 426.821 449.905 1.00 0.00 C +ATOM 215 CA ASP A 215 484.401 427.756 452.279 1.00 0.00 C +ATOM 216 CA LEU A 216 484.525 426.257 455.779 1.00 0.00 C +ATOM 217 CA LEU A 217 481.440 424.888 457.546 1.00 0.00 C +ATOM 218 CA SER A 218 482.013 421.915 459.859 1.00 0.00 C +ATOM 219 CA ASP A 219 480.017 421.023 462.979 1.00 0.00 C +ATOM 220 CA LEU A 220 478.744 418.339 465.365 1.00 0.00 C +ATOM 221 CA GLN A 221 475.552 417.277 467.153 1.00 0.00 C +ATOM 222 CA ASP A 222 476.195 414.280 469.415 1.00 0.00 C +ATOM 223 CA ILE A 223 477.294 413.401 472.955 1.00 0.00 C +ATOM 224 CA SER A 224 480.452 412.535 474.903 1.00 0.00 C +ATOM 225 CA ASP A 225 482.155 413.540 478.160 1.00 0.00 C +ATOM 226 CA SER A 226 485.770 414.583 477.563 1.00 0.00 C +ATOM 227 CA GLU A 227 488.977 413.975 479.529 1.00 0.00 C +ATOM 228 CA ARG A 228 491.842 412.858 481.778 1.00 0.00 C +ATOM 229 CA LYS A 229 495.193 414.171 483.028 1.00 0.00 C +ATOM 230 CA THR A 230 497.748 415.384 485.581 1.00 0.00 C +ATOM 231 CA SER A 231 498.040 415.402 489.380 1.00 0.00 C +ATOM 232 CA SER A 232 497.406 419.031 490.350 1.00 0.00 C +ATOM 233 CA ALA A 233 500.432 420.961 491.629 1.00 0.00 C +ATOM 234 CA GLU A 234 502.932 423.427 490.150 1.00 0.00 C +ATOM 235 CA SER A 235 506.701 423.918 489.885 1.00 0.00 C +ATOM 236 CA SER A 236 509.078 422.265 487.408 1.00 0.00 C +ATOM 237 CA SER A 237 507.291 422.213 484.044 1.00 0.00 C +ATOM 238 CA ALA A 238 504.921 422.676 481.097 1.00 0.00 C +ATOM 239 CA GLU A 239 503.166 419.731 479.435 1.00 0.00 C +ATOM 240 CA SER A 240 504.474 417.459 476.670 1.00 0.00 C +ATOM 241 CA GLY A 241 504.617 417.743 472.873 1.00 0.00 C +ATOM 242 CA SER A 242 506.401 418.013 469.518 1.00 0.00 C +ATOM 243 CA GLY A 243 504.982 420.954 467.555 1.00 0.00 C +ATOM 244 CA SER A 244 502.491 421.219 464.684 1.00 0.00 C +ATOM 245 CA GLU A 245 498.900 421.503 463.442 1.00 0.00 C +ATOM 246 CA GLU A 246 498.890 421.932 459.657 1.00 0.00 C +ATOM 247 CA GLU A 247 498.669 421.123 455.940 1.00 0.00 C +ATOM 248 CA GLU A 248 498.919 421.685 452.180 1.00 0.00 C +ATOM 249 CA GLU A 249 501.427 421.489 449.318 1.00 0.00 C +ATOM 250 CA GLU A 250 499.273 421.654 446.180 1.00 0.00 C +ATOM 251 CA GLU A 251 499.272 424.666 443.847 1.00 0.00 C +ATOM 252 CA GLU A 252 498.918 425.875 440.251 1.00 0.00 C +ATOM 253 CA GLU A 253 495.342 425.152 439.151 1.00 0.00 C +ATOM 254 CA GLU A 254 491.893 426.118 437.851 1.00 0.00 C +ATOM 255 CA GLU A 255 488.101 426.477 437.929 1.00 0.00 C +ATOM 256 CA GLU A 256 485.691 424.669 435.597 1.00 0.00 C +ATOM 257 CA GLU A 257 483.194 424.974 432.735 1.00 0.00 C +ATOM 258 CA GLY A 258 484.909 424.622 429.352 1.00 0.00 C +ATOM 259 CA SER A 259 488.609 424.278 428.508 1.00 0.00 C +ATOM 260 CA THR A 260 491.716 426.287 429.415 1.00 0.00 C +ATOM 261 CA SER A 261 491.266 429.967 430.292 1.00 0.00 C +ATOM 262 CA GLU A 262 489.876 433.344 429.204 1.00 0.00 C +ATOM 263 CA GLU A 263 489.735 435.566 426.112 1.00 0.00 C +ATOM 264 CA SER A 264 490.762 438.647 424.120 1.00 0.00 C +ATOM 265 CA GLU A 265 489.314 438.142 420.633 1.00 0.00 C +ATOM 266 CA GLU A 266 486.622 437.884 417.948 1.00 0.00 C +ATOM 267 CA GLU A 267 487.315 438.855 414.330 1.00 0.00 C +ATOM 268 CA GLU A 268 487.365 435.588 412.370 1.00 0.00 C +ATOM 269 CA GLU A 269 487.797 436.488 408.693 1.00 0.00 C +ATOM 270 CA GLU A 270 486.430 433.455 406.837 1.00 0.00 C +ATOM 271 CA GLU A 271 485.909 429.904 405.557 1.00 0.00 C +ATOM 272 CA GLU A 272 485.772 428.657 401.959 1.00 0.00 C +ATOM 273 CA GLU A 273 487.738 430.778 399.478 1.00 0.00 C +ATOM 274 CA GLU A 274 489.672 431.725 396.336 1.00 0.00 C +ATOM 275 CA THR A 275 489.638 433.555 392.994 1.00 0.00 C +ATOM 276 CA GLY A 276 486.690 435.874 392.323 1.00 0.00 C +ATOM 277 CA SER A 277 483.380 434.876 393.923 1.00 0.00 C +ATOM 278 CA ASN A 278 480.873 437.637 393.142 1.00 0.00 C +ATOM 279 CA SER A 279 477.120 438.144 393.554 1.00 0.00 C +ATOM 280 CA GLU A 280 474.855 440.977 392.390 1.00 0.00 C +ATOM 281 CA GLU A 281 471.579 440.772 394.324 1.00 0.00 C +ATOM 282 CA ALA A 282 471.152 443.700 396.724 1.00 0.00 C +ATOM 283 CA SER A 283 469.776 442.362 400.015 1.00 0.00 C +ATOM 284 CA GLU A 284 466.006 442.892 399.878 1.00 0.00 C +ATOM 285 CA GLN A 285 465.033 443.461 396.239 1.00 0.00 C +ATOM 286 CA SER A 286 464.317 446.932 394.840 1.00 0.00 C +ATOM 287 CA ALA A 287 466.981 449.612 394.354 1.00 0.00 C +ATOM 288 CA GLU A 288 467.669 452.124 391.573 1.00 0.00 C +ATOM 289 CA GLU A 289 471.457 452.520 391.475 1.00 0.00 C +ATOM 290 CA VAL A 290 474.417 450.761 393.106 1.00 0.00 C +ATOM 291 CA SER A 291 477.280 452.005 395.291 1.00 0.00 C +ATOM 292 CA GLU A 292 480.431 449.864 395.323 1.00 0.00 C +ATOM 293 CA GLU A 293 480.229 446.885 392.957 1.00 0.00 C +ATOM 294 CA GLU A 294 480.429 446.917 389.153 1.00 0.00 C +ATOM 295 CA MET A 295 480.022 447.739 385.455 1.00 0.00 C +ATOM 296 CA SER A 296 480.808 448.361 381.779 1.00 0.00 C +ATOM 297 CA GLU A 297 479.522 451.534 380.109 1.00 0.00 C +ATOM 298 CA ASP A 298 478.045 454.317 382.253 1.00 0.00 C +ATOM 299 CA GLU A 299 478.556 457.287 384.583 1.00 0.00 C +ATOM 300 CA GLU A 300 481.008 459.112 386.858 1.00 0.00 C +ATOM 301 CA ARG A 301 483.011 460.777 389.639 1.00 0.00 C +ATOM 302 CA GLU A 302 482.476 464.502 390.232 1.00 0.00 C +ATOM 303 CA ASN A 303 484.125 467.928 389.986 1.00 0.00 C +ATOM 304 CA GLU A 304 487.596 469.333 389.281 1.00 0.00 C +ATOM 305 CA ASN A 305 487.997 473.017 388.398 1.00 0.00 C +ATOM 306 CA HIS A 306 486.527 476.116 386.738 1.00 0.00 C +ATOM 307 CA LEU A 307 488.850 479.007 387.612 1.00 0.00 C +ATOM 308 CA LEU A 308 490.257 482.060 389.404 1.00 0.00 C +ATOM 309 CA VAL A 309 494.027 482.298 388.900 1.00 0.00 C +ATOM 310 CA VAL A 310 497.174 481.306 390.804 1.00 0.00 C +ATOM 311 CA PRO A 311 500.366 482.323 392.619 1.00 0.00 C +ATOM 312 CA GLU A 312 503.335 480.839 394.489 1.00 0.00 C +ATOM 313 CA SER A 313 504.655 477.285 394.870 1.00 0.00 C +ATOM 314 CA ARG A 314 504.122 475.149 391.761 1.00 0.00 C +ATOM 315 CA PHE A 315 506.695 472.358 392.091 1.00 0.00 C +ATOM 316 CA ASP A 316 506.868 468.898 393.677 1.00 0.00 C +ATOM 317 CA ARG A 317 503.988 466.526 394.447 1.00 0.00 C +ATOM 318 CA ASP A 318 503.436 462.832 395.201 1.00 0.00 C +ATOM 319 CA SER A 319 501.818 459.476 394.405 1.00 0.00 C +ATOM 320 CA GLY A 320 504.172 456.703 395.537 1.00 0.00 C +ATOM 321 CA GLU A 321 503.468 454.356 398.455 1.00 0.00 C +ATOM 322 CA SER A 322 499.953 453.322 399.499 1.00 0.00 C +ATOM 323 CA GLU A 323 499.270 449.575 399.615 1.00 0.00 C +ATOM 324 CA GLU A 324 500.011 445.845 399.841 1.00 0.00 C +ATOM 325 CA ALA A 325 503.309 445.122 401.608 1.00 0.00 C +ATOM 326 CA GLU A 326 504.362 446.249 405.092 1.00 0.00 C +ATOM 327 CA GLU A 327 506.387 449.264 406.243 1.00 0.00 C +ATOM 328 CA GLU A 328 509.840 449.439 404.642 1.00 0.00 C +ATOM 329 CA VAL A 329 512.250 447.794 407.093 1.00 0.00 C +ATOM 330 CA GLY A 330 515.682 446.157 406.865 1.00 0.00 C +ATOM 331 CA LEU A 331 516.897 444.111 409.841 1.00 0.00 C +ATOM 332 CA PRO A 332 519.709 441.668 409.040 1.00 0.00 C +ATOM 333 CA GLU A 333 522.856 441.561 411.185 1.00 0.00 C +ATOM 334 CA ARG A 334 524.054 442.138 414.755 1.00 0.00 C +ATOM 335 CA ARG A 335 525.681 439.200 416.554 1.00 0.00 C +ATOM 336 CA GLY A 336 523.567 436.162 417.459 1.00 0.00 C +ATOM 337 CA VAL A 337 519.760 436.216 417.318 1.00 0.00 C +ATOM 338 CA PRO A 338 517.871 439.121 415.736 1.00 0.00 C +ATOM 339 CA VAL A 339 515.899 441.133 418.301 1.00 0.00 C +ATOM 340 CA PRO A 340 515.531 443.446 421.306 1.00 0.00 C +ATOM 341 CA GLU A 341 512.242 443.398 423.228 1.00 0.00 C +ATOM 342 CA GLN A 342 508.615 443.255 422.070 1.00 0.00 C +ATOM 343 CA ASP A 343 506.568 440.089 422.619 1.00 0.00 C +ATOM 344 CA ARG A 344 506.671 436.538 421.243 1.00 0.00 C +ATOM 345 CA GLY A 345 506.196 434.166 418.299 1.00 0.00 C +ATOM 346 CA GLY A 346 502.809 432.972 417.025 1.00 0.00 C +ATOM 347 CA HIS A 347 500.021 431.998 414.618 1.00 0.00 C +ATOM 348 CA LEU A 348 499.799 434.108 411.453 1.00 0.00 C +ATOM 349 CA TRP A 349 498.488 431.703 408.805 1.00 0.00 C +ATOM 350 CA SER A 350 497.465 433.949 405.902 1.00 0.00 C +ATOM 351 CA GLY A 351 497.551 437.225 403.959 1.00 0.00 C +ATOM 352 CA LEU A 352 499.494 438.900 401.142 1.00 0.00 C +ATOM 353 CA GLN A 353 502.937 437.270 401.048 1.00 0.00 C +ATOM 354 CA SER A 354 503.567 433.881 399.426 1.00 0.00 C +ATOM 355 CA LYS A 355 500.799 431.580 398.176 1.00 0.00 C +ATOM 356 CA ARG A 356 497.544 432.512 396.429 1.00 0.00 C +ATOM 357 CA GLN A 357 497.012 433.917 392.928 1.00 0.00 C +ATOM 358 CA GLU A 358 496.213 436.327 390.086 1.00 0.00 C +ATOM 359 CA ASN A 359 497.924 439.650 390.823 1.00 0.00 C +ATOM 360 CA ARG A 360 499.096 443.268 390.588 1.00 0.00 C +TER 361 ARG A 360 +END diff --git a/Mammals/Q59GZ3/Q59GZ3.dcd b/Mammals/Q59GZ3/Q59GZ3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..d36e326c4d051fc3f067632b541f147a3267f5a7 --- /dev/null +++ b/Mammals/Q59GZ3/Q59GZ3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0af51629621bf50213fd412711fd1c88a246dcddf3e20f8a5447034d034aa273 +size 11480276 diff --git a/Mammals/Q59GZ3/top.pdb b/Mammals/Q59GZ3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..6ab869aacf8220fc3aa1b392abb66d26816027b5 --- /dev/null +++ b/Mammals/Q59GZ3/top.pdb @@ -0,0 +1,93 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LEU A 1 274.446 258.135 261.775 1.00 0.00 C +ATOM 2 CA PRO A 2 277.066 258.044 264.540 1.00 0.00 C +ATOM 3 CA VAL A 3 276.250 254.905 266.539 1.00 0.00 C +ATOM 4 CA ARG A 4 273.830 254.775 269.479 1.00 0.00 C +ATOM 5 CA ALA A 5 275.512 256.893 272.163 1.00 0.00 C +ATOM 6 CA GLU A 6 277.431 256.989 275.453 1.00 0.00 C +ATOM 7 CA PRO A 7 280.086 257.307 278.167 1.00 0.00 C +ATOM 8 CA THR A 8 280.780 256.781 281.876 1.00 0.00 C +ATOM 9 CA ARG A 9 280.138 260.029 283.761 1.00 0.00 C +ATOM 10 CA ALA A 10 280.579 260.361 287.531 1.00 0.00 C +ATOM 11 CA ALA A 11 282.103 263.691 288.581 1.00 0.00 C +ATOM 12 CA ALA A 12 283.862 265.782 285.925 1.00 0.00 C +ATOM 13 CA MET A 13 281.849 267.604 283.252 1.00 0.00 C +ATOM 14 CA SER A 14 279.238 270.105 284.452 1.00 0.00 C +ATOM 15 CA GLY A 15 276.684 271.820 282.204 1.00 0.00 C +ATOM 16 CA ASP A 16 275.982 274.299 279.397 1.00 0.00 C +ATOM 17 CA GLU A 17 275.058 272.986 275.942 1.00 0.00 C +ATOM 18 CA MET A 18 271.300 272.906 275.319 1.00 0.00 C +ATOM 19 CA ILE A 19 268.791 274.551 272.971 1.00 0.00 C +ATOM 20 CA PHE A 20 269.025 276.195 269.542 1.00 0.00 C +ATOM 21 CA ASP A 21 270.311 278.718 266.993 1.00 0.00 C +ATOM 22 CA PRO A 22 272.748 281.423 265.869 1.00 0.00 C +ATOM 23 CA THR A 23 275.687 281.764 263.468 1.00 0.00 C +ATOM 24 CA MET A 24 275.655 278.957 260.892 1.00 0.00 C +ATOM 25 CA SER A 25 273.868 280.139 257.741 1.00 0.00 C +ATOM 26 CA LYS A 26 270.504 278.422 257.241 1.00 0.00 C +ATOM 27 CA LYS A 27 267.221 276.928 258.468 1.00 0.00 C +ATOM 28 CA LYS A 28 265.817 274.466 255.922 1.00 0.00 C +ATOM 29 CA LYS A 29 265.399 270.905 254.634 1.00 0.00 C +ATOM 30 CA LYS A 30 267.325 268.652 252.240 1.00 0.00 C +ATOM 31 CA LYS A 31 270.646 266.924 251.533 1.00 0.00 C +ATOM 32 CA LYS A 32 271.037 263.178 252.108 1.00 0.00 C +ATOM 33 CA LYS A 33 269.279 259.916 251.223 1.00 0.00 C +ATOM 34 CA PRO A 34 265.674 259.460 252.368 1.00 0.00 C +ATOM 35 CA PHE A 35 263.440 261.660 254.533 1.00 0.00 C +ATOM 36 CA MET A 36 259.867 260.414 254.977 1.00 0.00 C +ATOM 37 CA LEU A 37 256.354 260.423 253.501 1.00 0.00 C +ATOM 38 CA ASP A 38 252.632 259.956 254.163 1.00 0.00 C +ATOM 39 CA GLU A 39 249.742 259.880 251.681 1.00 0.00 C +ATOM 40 CA GLU A 40 249.137 262.991 249.567 1.00 0.00 C +ATOM 41 CA GLY A 41 247.440 262.662 246.172 1.00 0.00 C +ATOM 42 CA ASP A 42 248.764 264.125 242.913 1.00 0.00 C +ATOM 43 CA THR A 43 249.380 262.409 239.568 1.00 0.00 C +ATOM 44 CA GLN A 44 251.222 260.491 236.840 1.00 0.00 C +ATOM 45 CA THR A 45 254.025 258.374 238.316 1.00 0.00 C +ATOM 46 CA GLU A 46 253.946 255.251 240.496 1.00 0.00 C +ATOM 47 CA GLU A 47 254.400 252.227 238.222 1.00 0.00 C +ATOM 48 CA THR A 48 252.046 252.559 235.245 1.00 0.00 C +ATOM 49 CA GLN A 49 251.378 251.564 231.628 1.00 0.00 C +ATOM 50 CA PRO A 50 248.558 249.064 231.065 1.00 0.00 C +ATOM 51 CA SER A 51 244.858 249.870 231.482 1.00 0.00 C +ATOM 52 CA GLU A 52 242.508 252.692 232.496 1.00 0.00 C +ATOM 53 CA THR A 53 239.753 252.677 229.864 1.00 0.00 C +ATOM 54 CA LYS A 54 236.304 252.051 228.371 1.00 0.00 C +ATOM 55 CA GLU A 55 236.610 250.613 224.856 1.00 0.00 C +ATOM 56 CA VAL A 56 236.721 246.967 223.757 1.00 0.00 C +ATOM 57 CA GLU A 57 235.962 244.034 221.447 1.00 0.00 C +ATOM 58 CA PRO A 58 238.915 241.631 221.305 1.00 0.00 C +ATOM 59 CA GLU A 59 242.151 243.328 222.386 1.00 0.00 C +ATOM 60 CA PRO A 60 245.325 242.778 224.421 1.00 0.00 C +ATOM 61 CA THR A 61 244.845 243.114 228.186 1.00 0.00 C +ATOM 62 CA GLU A 62 241.804 241.153 229.377 1.00 0.00 C +ATOM 63 CA ASP A 63 242.201 239.107 232.567 1.00 0.00 C +ATOM 64 CA LYS A 64 240.757 236.863 235.285 1.00 0.00 C +ATOM 65 CA ASP A 65 240.802 233.078 235.721 1.00 0.00 C +ATOM 66 CA LEU A 66 237.223 231.772 235.791 1.00 0.00 C +ATOM 67 CA GLU A 67 234.809 228.863 235.314 1.00 0.00 C +ATOM 68 CA ALA A 68 236.727 225.690 234.438 1.00 0.00 C +ATOM 69 CA ASP A 69 235.052 222.644 232.878 1.00 0.00 C +ATOM 70 CA GLU A 70 233.564 219.231 232.072 1.00 0.00 C +ATOM 71 CA GLU A 71 230.763 219.830 229.560 1.00 0.00 C +ATOM 72 CA ASP A 72 229.597 222.554 227.164 1.00 0.00 C +ATOM 73 CA THR A 73 225.981 223.600 226.576 1.00 0.00 C +ATOM 74 CA ARG A 74 223.902 220.802 228.115 1.00 0.00 C +ATOM 75 CA LYS A 75 220.505 219.825 229.538 1.00 0.00 C +ATOM 76 CA LYS A 76 219.184 220.398 233.065 1.00 0.00 C +ATOM 77 CA ASP A 77 217.778 217.259 234.702 1.00 0.00 C +ATOM 78 CA ALA A 78 215.191 217.253 237.499 1.00 0.00 C +ATOM 79 CA SER A 79 215.019 216.368 241.201 1.00 0.00 C +ATOM 80 CA ASP A 80 215.643 215.680 244.896 1.00 0.00 C +ATOM 81 CA ASP A 81 217.463 216.710 248.081 1.00 0.00 C +ATOM 82 CA LEU A 82 215.675 219.333 250.189 1.00 0.00 C +ATOM 83 CA ASP A 83 215.853 221.692 253.176 1.00 0.00 C +ATOM 84 CA ASP A 84 213.105 223.680 254.913 1.00 0.00 C +ATOM 85 CA LEU A 85 209.380 224.437 255.172 1.00 0.00 C +ATOM 86 CA ASN A 86 206.231 225.260 257.152 1.00 0.00 C +ATOM 87 CA PHE A 87 204.440 228.038 259.047 1.00 0.00 C +ATOM 88 CA PHE A 88 202.528 230.145 256.513 1.00 0.00 C +ATOM 89 CA ASN A 89 201.357 230.921 252.971 1.00 0.00 C +TER 90 ASN A 89 +END diff --git a/Mammals/Q59H78/Q59H78.dcd b/Mammals/Q59H78/Q59H78.dcd new file mode 100644 index 0000000000000000000000000000000000000000..66ea188d495ddcf42b2f36325ef8ac1abdc2079e --- /dev/null +++ b/Mammals/Q59H78/Q59H78.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a3d4b3e9283ea21574d6fa12df47b52678cd3275828779d5840cb1d167fc4442 +size 141520276 diff --git a/Mammals/Q59H78/top.pdb b/Mammals/Q59H78/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a1c5bd94837fdc4ee8e0078194f4a540361ab14b --- /dev/null +++ b/Mammals/Q59H78/top.pdb @@ -0,0 +1,587 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 1360.000 1360.000 1360.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA SER A 1 640.045 626.440 737.117 1.00 0.00 C +ATOM 2 CA GLY A 2 640.904 623.457 739.327 1.00 0.00 C +ATOM 3 CA HIS A 3 637.918 621.100 739.532 1.00 0.00 C +ATOM 4 CA SER A 4 634.583 619.540 738.553 1.00 0.00 C +ATOM 5 CA GLY A 5 633.317 616.268 737.066 1.00 0.00 C +ATOM 6 CA SER A 6 632.816 613.112 734.991 1.00 0.00 C +ATOM 7 CA HIS A 7 633.411 609.609 733.616 1.00 0.00 C +ATOM 8 CA HIS A 8 636.374 608.661 731.417 1.00 0.00 C +ATOM 9 CA SER A 9 638.088 608.391 728.025 1.00 0.00 C +ATOM 10 CA HIS A 10 641.385 606.508 727.713 1.00 0.00 C +ATOM 11 CA THR A 11 643.450 605.405 730.719 1.00 0.00 C +ATOM 12 CA THR A 12 644.126 606.386 734.338 1.00 0.00 C +ATOM 13 CA SER A 13 647.793 606.245 735.364 1.00 0.00 C +ATOM 14 CA GLN A 14 651.398 605.198 736.013 1.00 0.00 C +ATOM 15 CA GLY A 15 653.389 606.940 733.271 1.00 0.00 C +ATOM 16 CA ARG A 16 655.006 607.835 729.939 1.00 0.00 C +ATOM 17 CA SER A 17 655.280 606.113 726.552 1.00 0.00 C +ATOM 18 CA ASP A 18 655.782 602.363 726.103 1.00 0.00 C +ATOM 19 CA ALA A 19 659.245 601.463 724.796 1.00 0.00 C +ATOM 20 CA SER A 20 661.160 604.590 723.761 1.00 0.00 C +ATOM 21 CA HIS A 21 663.623 607.475 724.116 1.00 0.00 C +ATOM 22 CA GLY A 22 664.279 609.922 726.962 1.00 0.00 C +ATOM 23 CA HIS A 23 661.938 609.786 729.965 1.00 0.00 C +ATOM 24 CA SER A 24 660.905 612.424 732.512 1.00 0.00 C +ATOM 25 CA GLY A 25 658.002 614.780 733.244 1.00 0.00 C +ATOM 26 CA SER A 26 654.761 615.430 735.138 1.00 0.00 C +ATOM 27 CA ARG A 27 652.275 616.819 732.607 1.00 0.00 C +ATOM 28 CA SER A 28 652.583 619.385 729.808 1.00 0.00 C +ATOM 29 CA ALA A 29 656.012 618.726 728.283 1.00 0.00 C +ATOM 30 CA SER A 30 655.670 618.856 724.490 1.00 0.00 C +ATOM 31 CA ARG A 31 653.724 621.513 722.574 1.00 0.00 C +ATOM 32 CA GLN A 32 652.955 625.238 722.340 1.00 0.00 C +ATOM 33 CA THR A 33 650.818 627.826 720.537 1.00 0.00 C +ATOM 34 CA ARG A 34 648.879 631.077 720.105 1.00 0.00 C +ATOM 35 CA ASN A 35 647.024 634.367 720.605 1.00 0.00 C +ATOM 36 CA ASP A 36 649.412 636.904 722.146 1.00 0.00 C +ATOM 37 CA GLU A 37 649.016 638.137 725.729 1.00 0.00 C +ATOM 38 CA GLN A 38 647.691 641.708 725.626 1.00 0.00 C +ATOM 39 CA SER A 39 649.934 644.561 724.465 1.00 0.00 C +ATOM 40 CA GLY A 40 651.942 647.798 724.501 1.00 0.00 C +ATOM 41 CA ASP A 41 655.420 648.582 723.157 1.00 0.00 C +ATOM 42 CA GLY A 42 657.229 646.907 720.252 1.00 0.00 C +ATOM 43 CA SER A 43 655.377 646.408 716.960 1.00 0.00 C +ATOM 44 CA ARG A 44 654.792 643.198 714.992 1.00 0.00 C +ATOM 45 CA HIS A 45 657.127 643.251 711.981 1.00 0.00 C +ATOM 46 CA SER A 46 660.686 641.984 711.486 1.00 0.00 C +ATOM 47 CA GLY A 47 664.400 642.622 712.049 1.00 0.00 C +ATOM 48 CA SER A 48 667.458 643.804 710.109 1.00 0.00 C +ATOM 49 CA ARG A 49 670.044 645.246 712.507 1.00 0.00 C +ATOM 50 CA HIS A 50 671.625 643.091 715.223 1.00 0.00 C +ATOM 51 CA HIS A 51 671.803 639.302 714.867 1.00 0.00 C +ATOM 52 CA GLU A 52 672.982 636.228 712.950 1.00 0.00 C +ATOM 53 CA ALA A 53 673.428 637.245 709.305 1.00 0.00 C +ATOM 54 CA SER A 54 674.259 640.922 708.753 1.00 0.00 C +ATOM 55 CA SER A 55 675.348 643.832 706.548 1.00 0.00 C +ATOM 56 CA ARG A 56 675.480 643.229 702.788 1.00 0.00 C +ATOM 57 CA ALA A 57 675.307 644.746 699.297 1.00 0.00 C +ATOM 58 CA ASP A 58 676.355 642.419 696.469 1.00 0.00 C +ATOM 59 CA SER A 59 677.942 639.692 694.334 1.00 0.00 C +ATOM 60 CA SER A 60 681.546 638.966 695.337 1.00 0.00 C +ATOM 61 CA GLY A 61 682.748 636.724 698.173 1.00 0.00 C +ATOM 62 CA HIS A 62 682.228 633.103 699.240 1.00 0.00 C +ATOM 63 CA SER A 63 679.152 631.816 701.082 1.00 0.00 C +ATOM 64 CA GLN A 64 675.702 630.242 701.459 1.00 0.00 C +ATOM 65 CA VAL A 65 673.576 627.160 702.165 1.00 0.00 C +ATOM 66 CA GLY A 66 672.602 623.806 700.642 1.00 0.00 C +ATOM 67 CA GLN A 67 668.959 623.379 699.612 1.00 0.00 C +ATOM 68 CA GLY A 68 666.127 620.832 699.701 1.00 0.00 C +ATOM 69 CA GLN A 69 667.164 617.620 701.468 1.00 0.00 C +ATOM 70 CA SER A 70 667.167 616.167 704.990 1.00 0.00 C +ATOM 71 CA GLU A 71 668.774 618.247 707.748 1.00 0.00 C +ATOM 72 CA GLY A 72 671.333 619.058 710.452 1.00 0.00 C +ATOM 73 CA PRO A 73 670.534 620.899 713.690 1.00 0.00 C +ATOM 74 CA ARG A 74 671.766 622.154 717.070 1.00 0.00 C +ATOM 75 CA THR A 75 670.554 623.365 720.473 1.00 0.00 C +ATOM 76 CA SER A 76 672.104 626.649 721.626 1.00 0.00 C +ATOM 77 CA ARG A 77 669.842 629.276 723.206 1.00 0.00 C +ATOM 78 CA ASN A 78 669.671 631.677 726.160 1.00 0.00 C +ATOM 79 CA TRP A 79 671.462 634.975 725.502 1.00 0.00 C +ATOM 80 CA GLY A 80 674.477 636.999 724.350 1.00 0.00 C +ATOM 81 CA SER A 81 677.880 635.329 724.731 1.00 0.00 C +ATOM 82 CA SER A 82 680.832 636.216 726.971 1.00 0.00 C +ATOM 83 CA PHE A 83 681.351 639.975 726.630 1.00 0.00 C +ATOM 84 CA SER A 84 682.315 641.889 723.480 1.00 0.00 C +ATOM 85 CA GLN A 85 684.791 640.487 720.945 1.00 0.00 C +ATOM 86 CA ASP A 86 683.921 639.757 717.309 1.00 0.00 C +ATOM 87 CA SER A 87 683.779 640.752 713.634 1.00 0.00 C +ATOM 88 CA ASP A 88 683.716 642.378 710.189 1.00 0.00 C +ATOM 89 CA SER A 89 684.561 644.983 707.539 1.00 0.00 C +ATOM 90 CA GLN A 90 682.988 648.344 706.677 1.00 0.00 C +ATOM 91 CA GLY A 91 684.026 651.351 704.581 1.00 0.00 C +ATOM 92 CA HIS A 92 687.282 651.135 702.615 1.00 0.00 C +ATOM 93 CA SER A 93 688.930 650.905 699.187 1.00 0.00 C +ATOM 94 CA GLU A 94 691.076 647.840 698.470 1.00 0.00 C +ATOM 95 CA ASP A 95 689.531 644.875 696.644 1.00 0.00 C +ATOM 96 CA SER A 96 692.137 642.227 695.799 1.00 0.00 C +ATOM 97 CA GLU A 97 695.830 642.519 694.906 1.00 0.00 C +ATOM 98 CA ARG A 98 696.898 641.715 691.339 1.00 0.00 C +ATOM 99 CA TRP A 99 699.195 644.520 690.167 1.00 0.00 C +ATOM 100 CA SER A 100 699.457 647.165 692.897 1.00 0.00 C +ATOM 101 CA GLY A 101 703.039 648.114 693.784 1.00 0.00 C +ATOM 102 CA SER A 102 706.691 647.053 694.012 1.00 0.00 C +ATOM 103 CA ALA A 103 708.598 643.755 694.018 1.00 0.00 C +ATOM 104 CA SER A 104 708.604 640.124 695.172 1.00 0.00 C +ATOM 105 CA ARG A 105 706.611 636.893 695.499 1.00 0.00 C +ATOM 106 CA ASN A 106 703.535 636.737 697.742 1.00 0.00 C +ATOM 107 CA HIS A 107 700.421 638.792 698.515 1.00 0.00 C +ATOM 108 CA HIS A 108 700.208 640.788 701.753 1.00 0.00 C +ATOM 109 CA GLY A 109 696.998 642.840 701.731 1.00 0.00 C +ATOM 110 CA SER A 110 693.335 642.794 702.776 1.00 0.00 C +ATOM 111 CA ALA A 111 692.193 644.367 706.053 1.00 0.00 C +ATOM 112 CA GLN A 112 693.110 642.749 709.379 1.00 0.00 C +ATOM 113 CA GLU A 113 690.141 642.246 711.712 1.00 0.00 C +ATOM 114 CA GLN A 114 689.198 644.639 714.523 1.00 0.00 C +ATOM 115 CA LEU A 115 689.094 648.424 714.941 1.00 0.00 C +ATOM 116 CA ARG A 116 692.352 650.382 715.199 1.00 0.00 C +ATOM 117 CA ASP A 117 693.767 653.465 716.935 1.00 0.00 C +ATOM 118 CA GLY A 118 697.554 653.051 716.918 1.00 0.00 C +ATOM 119 CA SER A 119 701.222 652.072 717.243 1.00 0.00 C +ATOM 120 CA ARG A 120 703.428 649.012 717.781 1.00 0.00 C +ATOM 121 CA HIS A 121 706.802 648.976 719.551 1.00 0.00 C +ATOM 122 CA PRO A 122 709.252 651.247 721.381 1.00 0.00 C +ATOM 123 CA ARG A 123 708.816 653.142 724.658 1.00 0.00 C +ATOM 124 CA SER A 124 710.050 656.723 725.069 1.00 0.00 C +ATOM 125 CA HIS A 125 711.394 660.088 723.893 1.00 0.00 C +ATOM 126 CA GLN A 126 711.540 663.844 724.517 1.00 0.00 C +ATOM 127 CA GLU A 127 709.576 666.720 726.062 1.00 0.00 C +ATOM 128 CA ASP A 128 708.004 665.612 729.352 1.00 0.00 C +ATOM 129 CA ARG A 129 708.672 667.085 732.801 1.00 0.00 C +ATOM 130 CA ALA A 130 705.609 666.193 734.885 1.00 0.00 C +ATOM 131 CA GLY A 131 704.303 663.125 736.728 1.00 0.00 C +ATOM 132 CA HIS A 132 706.070 662.896 740.095 1.00 0.00 C +ATOM 133 CA GLY A 133 707.184 662.093 743.649 1.00 0.00 C +ATOM 134 CA HIS A 134 707.881 659.727 746.553 1.00 0.00 C +ATOM 135 CA SER A 135 706.931 656.240 747.760 1.00 0.00 C +ATOM 136 CA ALA A 136 708.587 653.291 746.007 1.00 0.00 C +ATOM 137 CA ASP A 137 708.404 653.712 742.225 1.00 0.00 C +ATOM 138 CA SER A 138 708.827 656.603 739.778 1.00 0.00 C +ATOM 139 CA SER A 139 709.319 656.268 736.015 1.00 0.00 C +ATOM 140 CA ARG A 140 712.702 657.895 735.365 1.00 0.00 C +ATOM 141 CA GLN A 141 715.100 656.593 732.707 1.00 0.00 C +ATOM 142 CA SER A 142 717.234 658.795 730.445 1.00 0.00 C +ATOM 143 CA GLY A 143 720.478 660.773 730.161 1.00 0.00 C +ATOM 144 CA THR A 144 724.102 661.433 731.134 1.00 0.00 C +ATOM 145 CA ARG A 145 726.285 658.814 729.432 1.00 0.00 C +ATOM 146 CA HIS A 146 729.745 658.632 731.017 1.00 0.00 C +ATOM 147 CA THR A 147 732.496 661.268 730.989 1.00 0.00 C +ATOM 148 CA GLN A 148 731.477 664.932 731.230 1.00 0.00 C +ATOM 149 CA THR A 149 729.558 666.700 728.454 1.00 0.00 C +ATOM 150 CA SER A 150 731.311 668.330 725.489 1.00 0.00 C +ATOM 151 CA SER A 151 732.456 671.723 724.189 1.00 0.00 C +ATOM 152 CA GLY A 152 733.098 672.989 720.653 1.00 0.00 C +ATOM 153 CA GLY A 153 732.702 672.861 716.866 1.00 0.00 C +ATOM 154 CA GLN A 154 729.155 672.425 715.544 1.00 0.00 C +ATOM 155 CA ALA A 155 726.391 672.931 712.972 1.00 0.00 C +ATOM 156 CA ALA A 156 722.649 673.645 713.056 1.00 0.00 C +ATOM 157 CA SER A 157 719.385 673.644 711.091 1.00 0.00 C +ATOM 158 CA SER A 158 717.345 670.762 712.523 1.00 0.00 C +ATOM 159 CA HIS A 159 715.507 670.229 715.818 1.00 0.00 C +ATOM 160 CA GLU A 160 712.075 669.919 717.444 1.00 0.00 C +ATOM 161 CA GLN A 161 710.644 671.311 720.689 1.00 0.00 C +ATOM 162 CA ALA A 162 711.387 674.790 722.054 1.00 0.00 C +ATOM 163 CA ARG A 163 714.285 677.108 722.915 1.00 0.00 C +ATOM 164 CA SER A 164 717.049 677.951 725.398 1.00 0.00 C +ATOM 165 CA SER A 165 720.056 675.906 724.263 1.00 0.00 C +ATOM 166 CA ALA A 166 721.618 672.938 726.071 1.00 0.00 C +ATOM 167 CA GLY A 167 723.431 673.090 729.418 1.00 0.00 C +ATOM 168 CA GLU A 168 723.681 672.657 733.195 1.00 0.00 C +ATOM 169 CA ARG A 169 723.104 672.326 736.947 1.00 0.00 C +ATOM 170 CA HIS A 170 723.753 671.767 740.659 1.00 0.00 C +ATOM 171 CA GLY A 171 727.377 672.538 741.550 1.00 0.00 C +ATOM 172 CA SER A 172 729.578 670.956 738.873 1.00 0.00 C +ATOM 173 CA HIS A 173 730.254 672.468 735.442 1.00 0.00 C +ATOM 174 CA HIS A 174 731.569 674.122 732.272 1.00 0.00 C +ATOM 175 CA GLN A 175 731.775 677.393 730.328 1.00 0.00 C +ATOM 176 CA GLN A 176 732.462 681.077 731.012 1.00 0.00 C +ATOM 177 CA SER A 177 730.921 683.146 733.816 1.00 0.00 C +ATOM 178 CA ALA A 178 732.899 685.213 736.332 1.00 0.00 C +ATOM 179 CA ASP A 179 730.513 686.438 739.038 1.00 0.00 C +ATOM 180 CA SER A 180 726.714 686.363 739.321 1.00 0.00 C +ATOM 181 CA SER A 181 725.237 685.661 735.880 1.00 0.00 C +ATOM 182 CA ARG A 182 723.780 682.311 734.799 1.00 0.00 C +ATOM 183 CA HIS A 183 720.095 681.947 735.697 1.00 0.00 C +ATOM 184 CA SER A 184 716.956 683.758 734.524 1.00 0.00 C +ATOM 185 CA GLY A 185 714.126 685.548 732.706 1.00 0.00 C +ATOM 186 CA ILE A 186 712.324 687.856 730.268 1.00 0.00 C +ATOM 187 CA GLY A 187 713.351 686.991 726.702 1.00 0.00 C +ATOM 188 CA HIS A 188 715.800 685.415 724.245 1.00 0.00 C +ATOM 189 CA GLY A 189 719.337 686.800 724.534 1.00 0.00 C +ATOM 190 CA GLN A 190 721.089 686.107 721.222 1.00 0.00 C +ATOM 191 CA ALA A 191 724.695 684.921 720.902 1.00 0.00 C +ATOM 192 CA SER A 192 727.416 687.478 720.144 1.00 0.00 C +ATOM 193 CA SER A 193 730.274 689.773 721.187 1.00 0.00 C +ATOM 194 CA ALA A 194 730.845 692.361 718.450 1.00 0.00 C +ATOM 195 CA VAL A 195 728.318 694.361 716.417 1.00 0.00 C +ATOM 196 CA ARG A 196 728.633 695.132 712.700 1.00 0.00 C +ATOM 197 CA ASP A 197 730.614 695.025 709.447 1.00 0.00 C +ATOM 198 CA SER A 198 734.020 693.939 708.130 1.00 0.00 C +ATOM 199 CA GLY A 199 736.326 690.990 708.837 1.00 0.00 C +ATOM 200 CA HIS A 200 736.003 687.413 707.567 1.00 0.00 C +ATOM 201 CA ARG A 201 737.718 684.137 706.649 1.00 0.00 C +ATOM 202 CA GLY A 202 738.560 682.354 703.388 1.00 0.00 C +ATOM 203 CA TYR A 203 739.038 685.042 700.730 1.00 0.00 C +ATOM 204 CA SER A 204 740.219 683.421 697.491 1.00 0.00 C +ATOM 205 CA GLY A 205 740.247 680.029 695.756 1.00 0.00 C +ATOM 206 CA SER A 206 742.987 677.663 694.568 1.00 0.00 C +ATOM 207 CA GLN A 207 743.365 674.955 691.916 1.00 0.00 C +ATOM 208 CA ALA A 208 745.454 672.516 689.865 1.00 0.00 C +ATOM 209 CA SER A 209 745.341 668.765 689.206 1.00 0.00 C +ATOM 210 CA ASP A 210 744.277 666.535 686.306 1.00 0.00 C +ATOM 211 CA ASN A 211 744.114 668.176 682.872 1.00 0.00 C +ATOM 212 CA GLU A 212 744.084 671.986 682.829 1.00 0.00 C +ATOM 213 CA GLY A 213 745.561 675.376 681.913 1.00 0.00 C +ATOM 214 CA HIS A 214 747.831 678.238 680.829 1.00 0.00 C +ATOM 215 CA SER A 215 751.109 677.782 678.941 1.00 0.00 C +ATOM 216 CA GLU A 216 751.905 674.650 676.922 1.00 0.00 C +ATOM 217 CA ASP A 217 748.748 673.006 675.564 1.00 0.00 C +ATOM 218 CA SER A 218 749.457 669.362 674.705 1.00 0.00 C +ATOM 219 CA ASP A 219 752.374 668.441 672.433 1.00 0.00 C +ATOM 220 CA THR A 220 752.294 664.872 671.101 1.00 0.00 C +ATOM 221 CA GLN A 221 750.867 661.887 669.211 1.00 0.00 C +ATOM 222 CA SER A 222 753.568 660.553 666.878 1.00 0.00 C +ATOM 223 CA VAL A 223 756.413 659.040 668.910 1.00 0.00 C +ATOM 224 CA SER A 224 757.008 657.149 672.164 1.00 0.00 C +ATOM 225 CA ALA A 225 755.769 658.636 675.445 1.00 0.00 C +ATOM 226 CA HIS A 226 757.168 662.177 675.578 1.00 0.00 C +ATOM 227 CA GLY A 227 759.023 663.206 678.743 1.00 0.00 C +ATOM 228 CA GLN A 228 761.443 660.940 680.620 1.00 0.00 C +ATOM 229 CA ALA A 229 765.045 661.304 679.431 1.00 0.00 C +ATOM 230 CA GLY A 230 766.803 658.138 678.248 1.00 0.00 C +ATOM 231 CA SER A 231 764.470 655.134 678.017 1.00 0.00 C +ATOM 232 CA HIS A 232 765.062 652.850 681.009 1.00 0.00 C +ATOM 233 CA GLN A 233 766.494 651.203 684.131 1.00 0.00 C +ATOM 234 CA GLN A 234 766.834 648.045 686.236 1.00 0.00 C +ATOM 235 CA SER A 235 766.016 645.211 688.647 1.00 0.00 C +ATOM 236 CA HIS A 236 762.867 643.069 688.761 1.00 0.00 C +ATOM 237 CA GLN A 237 762.323 639.523 687.477 1.00 0.00 C +ATOM 238 CA GLU A 238 762.138 637.102 684.541 1.00 0.00 C +ATOM 239 CA SER A 239 761.458 639.097 681.367 1.00 0.00 C +ATOM 240 CA ALA A 240 759.641 641.089 678.676 1.00 0.00 C +ATOM 241 CA ARG A 241 756.875 638.847 677.320 1.00 0.00 C +ATOM 242 CA GLY A 242 755.198 635.426 677.373 1.00 0.00 C +ATOM 243 CA ARG A 243 756.582 631.988 678.256 1.00 0.00 C +ATOM 244 CA SER A 244 756.374 630.655 681.819 1.00 0.00 C +ATOM 245 CA GLY A 245 755.497 627.646 683.986 1.00 0.00 C +ATOM 246 CA GLU A 246 752.028 626.098 684.277 1.00 0.00 C +ATOM 247 CA THR A 247 752.193 622.447 683.203 1.00 0.00 C +ATOM 248 CA SER A 248 752.779 622.306 679.441 1.00 0.00 C +ATOM 249 CA GLY A 249 749.443 622.847 677.682 1.00 0.00 C +ATOM 250 CA HIS A 250 748.920 619.702 675.596 1.00 0.00 C +ATOM 251 CA SER A 251 752.265 618.009 674.916 1.00 0.00 C +ATOM 252 CA GLY A 252 756.029 617.702 675.418 1.00 0.00 C +ATOM 253 CA SER A 253 758.513 617.134 678.250 1.00 0.00 C +ATOM 254 CA PHE A 254 761.272 619.748 677.984 1.00 0.00 C +ATOM 255 CA LEU A 255 764.236 619.637 680.376 1.00 0.00 C +ATOM 256 CA TYR A 256 765.526 623.097 681.314 1.00 0.00 C +ATOM 257 CA GLN A 257 766.128 626.822 681.841 1.00 0.00 C +ATOM 258 CA VAL A 258 768.257 628.243 684.663 1.00 0.00 C +ATOM 259 CA SER A 259 766.227 629.943 687.402 1.00 0.00 C +ATOM 260 CA THR A 260 762.568 630.588 688.245 1.00 0.00 C +ATOM 261 CA HIS A 261 759.532 632.880 688.469 1.00 0.00 C +ATOM 262 CA GLU A 262 756.527 631.141 690.039 1.00 0.00 C +ATOM 263 CA GLN A 263 756.600 627.839 691.938 1.00 0.00 C +ATOM 264 CA SER A 264 753.306 626.289 693.062 1.00 0.00 C +ATOM 265 CA GLU A 265 749.920 626.435 694.802 1.00 0.00 C +ATOM 266 CA SER A 266 747.255 625.068 692.447 1.00 0.00 C +ATOM 267 CA SER A 267 745.354 624.773 689.159 1.00 0.00 C +ATOM 268 CA HIS A 268 742.903 626.978 687.249 1.00 0.00 C +ATOM 269 CA GLY A 269 742.953 630.766 686.839 1.00 0.00 C +ATOM 270 CA TRP A 270 741.771 631.638 683.323 1.00 0.00 C +ATOM 271 CA THR A 271 742.426 629.857 680.020 1.00 0.00 C +ATOM 272 CA GLY A 272 740.335 629.710 676.838 1.00 0.00 C +ATOM 273 CA PRO A 273 738.321 626.594 675.972 1.00 0.00 C +ATOM 274 CA SER A 274 738.069 623.092 677.451 1.00 0.00 C +ATOM 275 CA THR A 275 738.049 620.208 674.961 1.00 0.00 C +ATOM 276 CA ARG A 276 737.387 617.221 672.690 1.00 0.00 C +ATOM 277 CA GLY A 277 736.832 613.692 674.015 1.00 0.00 C +ATOM 278 CA ARG A 278 739.838 612.028 675.662 1.00 0.00 C +ATOM 279 CA GLN A 279 743.622 611.582 675.630 1.00 0.00 C +ATOM 280 CA GLY A 280 747.328 612.177 674.980 1.00 0.00 C +ATOM 281 CA SER A 281 749.036 613.372 678.169 1.00 0.00 C +ATOM 282 CA ARG A 282 748.870 615.930 680.988 1.00 0.00 C +ATOM 283 CA HIS A 283 745.700 616.204 683.084 1.00 0.00 C +ATOM 284 CA GLU A 284 744.744 616.799 686.723 1.00 0.00 C +ATOM 285 CA GLN A 285 742.921 614.744 689.364 1.00 0.00 C +ATOM 286 CA ALA A 286 742.774 613.714 693.029 1.00 0.00 C +ATOM 287 CA GLN A 287 739.701 614.735 695.036 1.00 0.00 C +ATOM 288 CA ASP A 288 739.564 617.064 698.048 1.00 0.00 C +ATOM 289 CA SER A 289 741.056 619.560 700.510 1.00 0.00 C +ATOM 290 CA SER A 290 744.586 620.196 699.225 1.00 0.00 C +ATOM 291 CA ARG A 291 744.474 619.821 695.435 1.00 0.00 C +ATOM 292 CA HIS A 292 741.339 621.371 693.922 1.00 0.00 C +ATOM 293 CA SER A 293 737.693 622.358 693.425 1.00 0.00 C +ATOM 294 CA ALA A 294 736.594 623.427 689.937 1.00 0.00 C +ATOM 295 CA SER A 295 733.950 623.549 687.196 1.00 0.00 C +ATOM 296 CA GLN A 296 731.450 621.901 684.840 1.00 0.00 C +ATOM 297 CA ASP A 297 728.361 624.038 684.203 1.00 0.00 C +ATOM 298 CA GLY A 298 725.359 621.742 683.726 1.00 0.00 C +ATOM 299 CA GLN A 299 723.075 621.713 686.776 1.00 0.00 C +ATOM 300 CA ASP A 300 724.170 622.723 690.283 1.00 0.00 C +ATOM 301 CA THR A 301 723.773 626.506 690.495 1.00 0.00 C +ATOM 302 CA ILE A 302 725.646 629.823 690.565 1.00 0.00 C +ATOM 303 CA ARG A 303 727.555 632.440 692.571 1.00 0.00 C +ATOM 304 CA GLY A 304 726.093 635.863 693.386 1.00 0.00 C +ATOM 305 CA HIS A 305 728.233 638.990 692.985 1.00 0.00 C +ATOM 306 CA PRO A 306 727.507 642.462 691.595 1.00 0.00 C +ATOM 307 CA GLY A 307 725.086 645.397 691.393 1.00 0.00 C +ATOM 308 CA SER A 308 723.079 646.741 688.446 1.00 0.00 C +ATOM 309 CA SER A 309 720.538 648.303 686.075 1.00 0.00 C +ATOM 310 CA ARG A 310 717.295 649.200 687.862 1.00 0.00 C +ATOM 311 CA GLY A 311 714.059 647.482 688.907 1.00 0.00 C +ATOM 312 CA GLY A 312 712.405 649.165 691.898 1.00 0.00 C +ATOM 313 CA ARG A 313 714.628 652.022 693.087 1.00 0.00 C +ATOM 314 CA GLN A 314 718.400 652.556 693.061 1.00 0.00 C +ATOM 315 CA GLY A 315 721.447 652.926 695.319 1.00 0.00 C +ATOM 316 CA TYR A 316 725.073 654.084 695.149 1.00 0.00 C +ATOM 317 CA HIS A 317 725.311 656.864 692.555 1.00 0.00 C +ATOM 318 CA HIS A 318 724.937 655.210 689.144 1.00 0.00 C +ATOM 319 CA GLU A 319 724.686 653.131 685.961 1.00 0.00 C +ATOM 320 CA HIS A 320 725.822 650.311 683.664 1.00 0.00 C +ATOM 321 CA SER A 321 728.225 647.541 684.699 1.00 0.00 C +ATOM 322 CA VAL A 322 731.899 647.643 683.696 1.00 0.00 C +ATOM 323 CA ASP A 323 734.460 645.043 684.790 1.00 0.00 C +ATOM 324 CA SER A 324 733.828 641.297 685.081 1.00 0.00 C +ATOM 325 CA SER A 325 731.609 638.347 686.024 1.00 0.00 C +ATOM 326 CA GLY A 326 728.016 639.132 685.029 1.00 0.00 C +ATOM 327 CA HIS A 327 725.533 640.902 682.745 1.00 0.00 C +ATOM 328 CA SER A 328 721.769 640.846 683.334 1.00 0.00 C +ATOM 329 CA GLY A 329 719.017 638.671 684.822 1.00 0.00 C +ATOM 330 CA SER A 330 720.693 635.345 685.626 1.00 0.00 C +ATOM 331 CA HIS A 331 723.507 633.246 684.145 1.00 0.00 C +ATOM 332 CA HIS A 332 725.754 630.257 683.413 1.00 0.00 C +ATOM 333 CA SER A 333 724.981 627.806 680.600 1.00 0.00 C +ATOM 334 CA HIS A 334 724.752 625.525 677.557 1.00 0.00 C +ATOM 335 CA THR A 335 723.163 623.870 674.515 1.00 0.00 C +ATOM 336 CA THR A 336 724.162 625.604 671.273 1.00 0.00 C +ATOM 337 CA SER A 337 722.565 623.674 668.402 1.00 0.00 C +ATOM 338 CA GLN A 338 720.434 626.020 666.288 1.00 0.00 C +ATOM 339 CA GLY A 339 718.842 629.476 666.493 1.00 0.00 C +ATOM 340 CA ARG A 340 718.823 632.135 669.221 1.00 0.00 C +ATOM 341 CA SER A 341 716.018 634.706 669.026 1.00 0.00 C +ATOM 342 CA ASP A 342 712.798 636.257 667.704 1.00 0.00 C +ATOM 343 CA ALA A 343 713.059 636.068 663.908 1.00 0.00 C +ATOM 344 CA SER A 344 714.669 637.096 660.611 1.00 0.00 C +ATOM 345 CA ARG A 345 713.627 635.647 657.245 1.00 0.00 C +ATOM 346 CA GLY A 346 711.903 636.677 654.007 1.00 0.00 C +ATOM 347 CA GLN A 347 711.495 640.285 652.852 1.00 0.00 C +ATOM 348 CA SER A 348 709.385 643.432 653.252 1.00 0.00 C +ATOM 349 CA GLY A 349 707.676 646.634 654.410 1.00 0.00 C +ATOM 350 CA SER A 350 704.316 648.220 655.255 1.00 0.00 C +ATOM 351 CA ARG A 351 702.069 649.441 652.431 1.00 0.00 C +ATOM 352 CA SER A 352 700.722 650.183 648.945 1.00 0.00 C +ATOM 353 CA ALA A 353 700.307 652.242 645.766 1.00 0.00 C +ATOM 354 CA SER A 354 696.625 652.486 644.819 1.00 0.00 C +ATOM 355 CA ARG A 355 694.905 654.954 642.480 1.00 0.00 C +ATOM 356 CA THR A 356 697.108 656.250 639.655 1.00 0.00 C +ATOM 357 CA THR A 357 695.547 655.767 636.213 1.00 0.00 C +ATOM 358 CA ARG A 358 695.878 657.451 632.811 1.00 0.00 C +ATOM 359 CA ASN A 359 693.008 656.218 630.630 1.00 0.00 C +ATOM 360 CA GLU A 360 690.531 654.008 632.499 1.00 0.00 C +ATOM 361 CA GLU A 361 687.657 653.473 630.055 1.00 0.00 C +ATOM 362 CA GLN A 362 684.273 655.187 629.699 1.00 0.00 C +ATOM 363 CA SER A 363 680.773 656.377 630.621 1.00 0.00 C +ATOM 364 CA GLY A 364 677.678 658.498 631.280 1.00 0.00 C +ATOM 365 CA ASP A 365 674.591 656.491 630.300 1.00 0.00 C +ATOM 366 CA GLY A 366 675.710 652.922 629.578 1.00 0.00 C +ATOM 367 CA SER A 367 673.777 650.098 627.904 1.00 0.00 C +ATOM 368 CA ARG A 368 670.334 649.712 626.319 1.00 0.00 C +ATOM 369 CA HIS A 369 667.569 651.668 624.574 1.00 0.00 C +ATOM 370 CA SER A 370 669.414 653.716 621.944 1.00 0.00 C +ATOM 371 CA GLY A 371 667.864 656.726 620.197 1.00 0.00 C +ATOM 372 CA SER A 372 665.438 658.493 617.849 1.00 0.00 C +ATOM 373 CA ARG A 373 661.779 658.160 616.843 1.00 0.00 C +ATOM 374 CA HIS A 374 659.374 660.310 618.871 1.00 0.00 C +ATOM 375 CA HIS A 375 660.925 663.764 619.297 1.00 0.00 C +ATOM 376 CA GLU A 376 659.464 665.694 622.239 1.00 0.00 C +ATOM 377 CA ALA A 377 657.479 668.302 624.181 1.00 0.00 C +ATOM 378 CA SER A 378 657.139 671.596 626.067 1.00 0.00 C +ATOM 379 CA THR A 379 657.138 674.879 624.133 1.00 0.00 C +ATOM 380 CA HIS A 380 657.770 673.902 620.505 1.00 0.00 C +ATOM 381 CA ALA A 381 659.963 672.966 617.534 1.00 0.00 C +ATOM 382 CA ASP A 382 662.307 671.624 614.847 1.00 0.00 C +ATOM 383 CA ILE A 383 666.065 671.987 615.357 1.00 0.00 C +ATOM 384 CA SER A 384 667.613 674.625 617.628 1.00 0.00 C +ATOM 385 CA ARG A 385 667.930 678.376 618.215 1.00 0.00 C +ATOM 386 CA HIS A 386 666.818 681.992 618.674 1.00 0.00 C +ATOM 387 CA SER A 387 663.891 683.266 620.753 1.00 0.00 C +ATOM 388 CA GLN A 388 661.773 681.041 623.006 1.00 0.00 C +ATOM 389 CA ALA A 389 658.858 682.896 624.613 1.00 0.00 C +ATOM 390 CA VAL A 390 655.647 683.078 626.656 1.00 0.00 C +ATOM 391 CA GLN A 391 655.486 681.745 630.222 1.00 0.00 C +ATOM 392 CA GLY A 392 655.395 681.748 634.031 1.00 0.00 C +ATOM 393 CA GLN A 393 653.755 682.270 637.430 1.00 0.00 C +ATOM 394 CA SER A 394 650.662 680.063 637.718 1.00 0.00 C +ATOM 395 CA GLU A 395 648.069 677.482 636.653 1.00 0.00 C +ATOM 396 CA GLY A 396 645.427 674.850 635.876 1.00 0.00 C +ATOM 397 CA SER A 397 643.056 674.898 632.894 1.00 0.00 C +ATOM 398 CA ARG A 398 639.328 675.183 633.629 1.00 0.00 C +ATOM 399 CA ARG A 399 636.489 676.374 631.384 1.00 0.00 C +ATOM 400 CA SER A 400 635.059 679.893 631.673 1.00 0.00 C +ATOM 401 CA ARG A 401 635.862 683.617 631.670 1.00 0.00 C +ATOM 402 CA ARG A 402 635.585 684.839 635.269 1.00 0.00 C +ATOM 403 CA GLN A 403 632.299 684.975 637.192 1.00 0.00 C +ATOM 404 CA GLY A 404 629.458 684.711 634.667 1.00 0.00 C +ATOM 405 CA SER A 405 626.306 686.581 633.626 1.00 0.00 C +ATOM 406 CA SER A 406 623.654 688.312 631.508 1.00 0.00 C +ATOM 407 CA VAL A 407 620.874 689.189 629.054 1.00 0.00 C +ATOM 408 CA SER A 408 618.693 686.683 627.189 1.00 0.00 C +ATOM 409 CA GLN A 409 616.284 687.522 624.360 1.00 0.00 C +ATOM 410 CA ASP A 410 614.450 689.808 621.924 1.00 0.00 C +ATOM 411 CA SER A 411 613.438 690.187 618.271 1.00 0.00 C +ATOM 412 CA ASP A 412 613.768 692.245 615.082 1.00 0.00 C +ATOM 413 CA SER A 413 615.919 692.270 611.938 1.00 0.00 C +ATOM 414 CA GLU A 414 616.730 693.977 608.629 1.00 0.00 C +ATOM 415 CA GLY A 415 617.806 697.549 609.401 1.00 0.00 C +ATOM 416 CA HIS A 416 616.347 700.589 611.175 1.00 0.00 C +ATOM 417 CA SER A 417 615.922 699.977 614.911 1.00 0.00 C +ATOM 418 CA GLU A 418 618.176 702.492 616.675 1.00 0.00 C +ATOM 419 CA ASP A 419 617.372 704.793 619.603 1.00 0.00 C +ATOM 420 CA SER A 420 618.545 703.388 622.945 1.00 0.00 C +ATOM 421 CA GLU A 421 622.278 702.634 623.072 1.00 0.00 C +ATOM 422 CA ARG A 422 625.515 704.011 624.533 1.00 0.00 C +ATOM 423 CA TRP A 423 627.047 707.272 623.295 1.00 0.00 C +ATOM 424 CA SER A 424 630.745 708.109 623.676 1.00 0.00 C +ATOM 425 CA GLY A 425 631.792 711.197 625.647 1.00 0.00 C +ATOM 426 CA SER A 426 631.189 711.118 629.408 1.00 0.00 C +ATOM 427 CA ALA A 427 631.097 708.869 632.481 1.00 0.00 C +ATOM 428 CA SER A 428 629.971 709.643 636.038 1.00 0.00 C +ATOM 429 CA ARG A 429 627.590 712.609 635.811 1.00 0.00 C +ATOM 430 CA ASN A 430 626.008 714.821 638.480 1.00 0.00 C +ATOM 431 CA HIS A 431 627.579 716.382 641.580 1.00 0.00 C +ATOM 432 CA HIS A 432 627.395 720.179 641.825 1.00 0.00 C +ATOM 433 CA GLY A 433 629.473 722.811 640.016 1.00 0.00 C +ATOM 434 CA SER A 434 631.292 725.962 641.146 1.00 0.00 C +ATOM 435 CA ALA A 435 628.986 727.730 643.610 1.00 0.00 C +ATOM 436 CA GLN A 436 630.164 730.319 646.145 1.00 0.00 C +ATOM 437 CA GLU A 437 629.776 730.776 649.908 1.00 0.00 C +ATOM 438 CA GLN A 438 629.923 734.015 651.909 1.00 0.00 C +ATOM 439 CA LEU A 439 627.469 734.651 654.753 1.00 0.00 C +ATOM 440 CA ARG A 440 628.590 735.614 658.265 1.00 0.00 C +ATOM 441 CA ASP A 441 626.677 737.742 660.781 1.00 0.00 C +ATOM 442 CA GLY A 442 623.681 739.314 659.030 1.00 0.00 C +ATOM 443 CA SER A 443 620.219 740.230 660.331 1.00 0.00 C +ATOM 444 CA ARG A 444 617.968 737.280 659.464 1.00 0.00 C +ATOM 445 CA HIS A 445 614.334 738.389 659.747 1.00 0.00 C +ATOM 446 CA PRO A 446 611.372 739.597 657.677 1.00 0.00 C +ATOM 447 CA ARG A 447 611.208 743.165 656.350 1.00 0.00 C +ATOM 448 CA SER A 448 610.899 746.325 658.455 1.00 0.00 C +ATOM 449 CA HIS A 449 610.209 749.407 660.586 1.00 0.00 C +ATOM 450 CA GLN A 450 607.846 752.169 659.442 1.00 0.00 C +ATOM 451 CA GLU A 451 604.042 751.980 659.355 1.00 0.00 C +ATOM 452 CA ASP A 452 600.441 752.953 658.580 1.00 0.00 C +ATOM 453 CA ARG A 453 598.391 756.130 659.050 1.00 0.00 C +ATOM 454 CA ALA A 454 595.377 756.422 656.738 1.00 0.00 C +ATOM 455 CA GLY A 455 594.563 757.631 653.218 1.00 0.00 C +ATOM 456 CA HIS A 456 597.523 757.686 650.819 1.00 0.00 C +ATOM 457 CA GLY A 457 598.262 761.247 649.685 1.00 0.00 C +ATOM 458 CA HIS A 458 599.672 760.982 646.155 1.00 0.00 C +ATOM 459 CA SER A 459 598.347 758.873 643.271 1.00 0.00 C +ATOM 460 CA ALA A 460 599.833 755.379 642.954 1.00 0.00 C +ATOM 461 CA ASP A 461 599.357 751.796 641.749 1.00 0.00 C +ATOM 462 CA SER A 462 596.283 750.470 639.929 1.00 0.00 C +ATOM 463 CA SER A 463 596.111 747.608 637.420 1.00 0.00 C +ATOM 464 CA ARG A 464 594.881 744.192 636.267 1.00 0.00 C +ATOM 465 CA GLN A 465 591.384 742.739 636.693 1.00 0.00 C +ATOM 466 CA SER A 466 590.894 740.119 639.415 1.00 0.00 C +ATOM 467 CA GLY A 467 589.295 738.264 642.334 1.00 0.00 C +ATOM 468 CA THR A 468 589.804 734.868 643.983 1.00 0.00 C +ATOM 469 CA ARG A 469 590.616 732.275 641.313 1.00 0.00 C +ATOM 470 CA HIS A 470 589.656 728.602 640.986 1.00 0.00 C +ATOM 471 CA THR A 471 592.017 725.721 641.784 1.00 0.00 C +ATOM 472 CA GLN A 472 594.507 725.600 644.666 1.00 0.00 C +ATOM 473 CA THR A 473 594.547 722.615 647.033 1.00 0.00 C +ATOM 474 CA SER A 474 592.307 719.597 647.655 1.00 0.00 C +ATOM 475 CA SER A 475 593.919 717.279 650.213 1.00 0.00 C +ATOM 476 CA GLY A 476 597.660 716.749 649.726 1.00 0.00 C +ATOM 477 CA GLY A 477 601.062 716.024 651.280 1.00 0.00 C +ATOM 478 CA GLN A 478 601.499 717.625 654.710 1.00 0.00 C +ATOM 479 CA ALA A 479 601.203 721.287 655.718 1.00 0.00 C +ATOM 480 CA ALA A 480 602.469 724.567 657.186 1.00 0.00 C +ATOM 481 CA SER A 481 601.148 728.065 657.919 1.00 0.00 C +ATOM 482 CA SER A 482 603.473 731.050 657.476 1.00 0.00 C +ATOM 483 CA HIS A 483 606.889 729.940 656.203 1.00 0.00 C +ATOM 484 CA GLU A 484 608.872 732.864 654.778 1.00 0.00 C +ATOM 485 CA GLN A 485 606.290 735.617 654.260 1.00 0.00 C +ATOM 486 CA ALA A 486 606.315 739.079 652.668 1.00 0.00 C +ATOM 487 CA ARG A 487 603.121 739.416 650.618 1.00 0.00 C +ATOM 488 CA SER A 488 601.256 742.705 651.084 1.00 0.00 C +ATOM 489 CA SER A 489 600.418 746.394 650.624 1.00 0.00 C +ATOM 490 CA ALA A 490 600.045 748.670 647.591 1.00 0.00 C +ATOM 491 CA GLY A 491 602.114 751.811 648.196 1.00 0.00 C +ATOM 492 CA ASP A 492 603.912 754.351 650.395 1.00 0.00 C +ATOM 493 CA ARG A 493 606.891 756.357 649.123 1.00 0.00 C +ATOM 494 CA HIS A 494 610.396 757.001 650.472 1.00 0.00 C +ATOM 495 CA GLY A 495 613.764 758.527 651.391 1.00 0.00 C +ATOM 496 CA SER A 496 613.193 762.213 652.168 1.00 0.00 C +ATOM 497 CA HIS A 497 615.214 763.612 655.079 1.00 0.00 C +ATOM 498 CA HIS A 498 617.411 761.970 657.724 1.00 0.00 C +ATOM 499 CA GLN A 499 619.238 762.056 661.066 1.00 0.00 C +ATOM 500 CA GLN A 500 619.980 765.632 662.150 1.00 0.00 C +ATOM 501 CA SER A 501 623.655 766.090 663.048 1.00 0.00 C +ATOM 502 CA ALA A 502 626.119 765.086 660.321 1.00 0.00 C +ATOM 503 CA ASP A 503 627.671 767.830 658.181 1.00 0.00 C +ATOM 504 CA SER A 504 627.518 769.199 654.629 1.00 0.00 C +ATOM 505 CA SER A 505 629.076 772.619 654.000 1.00 0.00 C +ATOM 506 CA ARG A 506 630.285 773.938 657.363 1.00 0.00 C +ATOM 507 CA HIS A 507 631.159 777.587 656.702 1.00 0.00 C +ATOM 508 CA SER A 508 631.461 778.124 652.942 1.00 0.00 C +ATOM 509 CA GLY A 509 631.232 780.355 649.862 1.00 0.00 C +ATOM 510 CA ILE A 510 634.100 782.560 648.668 1.00 0.00 C +ATOM 511 CA GLY A 511 637.607 781.163 649.184 1.00 0.00 C +ATOM 512 CA HIS A 512 641.187 781.345 650.475 1.00 0.00 C +ATOM 513 CA GLY A 513 644.348 779.272 649.994 1.00 0.00 C +ATOM 514 CA GLN A 514 644.120 775.538 649.273 1.00 0.00 C +ATOM 515 CA ALA A 515 641.119 773.190 649.294 1.00 0.00 C +ATOM 516 CA SER A 516 642.540 769.747 650.095 1.00 0.00 C +ATOM 517 CA SER A 517 643.974 766.415 648.931 1.00 0.00 C +ATOM 518 CA ALA A 518 646.502 764.350 646.965 1.00 0.00 C +ATOM 519 CA VAL A 519 644.855 761.769 644.697 1.00 0.00 C +ATOM 520 CA ARG A 520 641.090 762.107 645.172 1.00 0.00 C +ATOM 521 CA ASP A 521 637.559 763.355 644.475 1.00 0.00 C +ATOM 522 CA SER A 522 634.546 761.332 643.315 1.00 0.00 C +ATOM 523 CA GLY A 523 631.445 763.443 643.980 1.00 0.00 C +ATOM 524 CA HIS A 524 628.881 764.988 641.623 1.00 0.00 C +ATOM 525 CA ARG A 525 626.750 767.962 640.559 1.00 0.00 C +ATOM 526 CA GLY A 526 625.085 771.100 641.935 1.00 0.00 C +ATOM 527 CA TYR A 527 626.287 773.930 639.684 1.00 0.00 C +ATOM 528 CA SER A 528 627.135 772.615 636.210 1.00 0.00 C +ATOM 529 CA GLY A 529 630.792 771.558 636.067 1.00 0.00 C +ATOM 530 CA SER A 530 633.618 774.111 635.935 1.00 0.00 C +ATOM 531 CA GLN A 531 636.899 772.176 635.898 1.00 0.00 C +ATOM 532 CA ALA A 532 637.618 770.334 639.155 1.00 0.00 C +ATOM 533 CA SER A 533 639.535 771.587 642.200 1.00 0.00 C +ATOM 534 CA ASP A 534 642.924 769.902 642.635 1.00 0.00 C +ATOM 535 CA ASN A 535 646.332 771.570 642.974 1.00 0.00 C +ATOM 536 CA GLU A 536 648.978 772.782 640.514 1.00 0.00 C +ATOM 537 CA GLY A 537 647.327 774.849 637.773 1.00 0.00 C +ATOM 538 CA HIS A 538 644.309 776.727 639.144 1.00 0.00 C +ATOM 539 CA SER A 539 645.568 778.522 642.261 1.00 0.00 C +ATOM 540 CA GLU A 540 647.598 781.433 643.644 1.00 0.00 C +ATOM 541 CA ASP A 541 645.696 783.868 645.873 1.00 0.00 C +ATOM 542 CA SER A 542 645.340 787.232 647.627 1.00 0.00 C +ATOM 543 CA ASP A 543 646.325 789.748 650.313 1.00 0.00 C +ATOM 544 CA THR A 544 646.006 788.253 653.803 1.00 0.00 C +ATOM 545 CA GLN A 545 646.930 787.227 657.355 1.00 0.00 C +ATOM 546 CA SER A 546 647.059 785.851 660.905 1.00 0.00 C +ATOM 547 CA VAL A 547 645.048 782.845 662.104 1.00 0.00 C +ATOM 548 CA SER A 548 645.807 779.757 660.006 1.00 0.00 C +ATOM 549 CA ALA A 549 648.157 777.571 662.060 1.00 0.00 C +ATOM 550 CA HIS A 550 646.940 774.176 663.289 1.00 0.00 C +ATOM 551 CA GLY A 551 645.942 771.191 661.141 1.00 0.00 C +ATOM 552 CA GLN A 552 643.557 771.067 658.172 1.00 0.00 C +ATOM 553 CA ALA A 553 641.425 774.194 657.728 1.00 0.00 C +ATOM 554 CA GLY A 554 639.005 776.733 656.241 1.00 0.00 C +ATOM 555 CA SER A 555 637.775 780.333 656.456 1.00 0.00 C +ATOM 556 CA HIS A 556 639.365 783.231 658.349 1.00 0.00 C +ATOM 557 CA GLN A 557 637.040 786.218 657.916 1.00 0.00 C +ATOM 558 CA GLN A 558 636.010 789.553 659.443 1.00 0.00 C +ATOM 559 CA SER A 559 636.200 792.568 657.122 1.00 0.00 C +ATOM 560 CA HIS A 560 635.733 796.322 656.666 1.00 0.00 C +ATOM 561 CA GLN A 561 634.595 799.882 657.406 1.00 0.00 C +ATOM 562 CA GLU A 562 636.418 801.571 660.293 1.00 0.00 C +ATOM 563 CA SER A 563 634.463 804.609 661.506 1.00 0.00 C +ATOM 564 CA ALA A 564 630.751 805.458 661.619 1.00 0.00 C +ATOM 565 CA ARG A 565 628.236 804.801 664.405 1.00 0.00 C +ATOM 566 CA GLY A 566 628.054 802.136 667.122 1.00 0.00 C +ATOM 567 CA ARG A 567 630.735 799.494 666.535 1.00 0.00 C +ATOM 568 CA SER A 568 633.355 796.874 667.422 1.00 0.00 C +ATOM 569 CA GLY A 569 631.903 793.539 666.288 1.00 0.00 C +ATOM 570 CA GLU A 570 632.117 790.439 664.084 1.00 0.00 C +ATOM 571 CA THR A 571 628.625 789.040 663.481 1.00 0.00 C +ATOM 572 CA SER A 572 625.463 786.967 663.957 1.00 0.00 C +ATOM 573 CA GLY A 573 622.939 789.265 665.649 1.00 0.00 C +ATOM 574 CA HIS A 574 623.131 789.737 669.425 1.00 0.00 C +ATOM 575 CA SER A 575 621.162 792.628 670.935 1.00 0.00 C +ATOM 576 CA GLY A 576 617.747 791.418 672.113 1.00 0.00 C +ATOM 577 CA SER A 577 614.614 790.883 670.012 1.00 0.00 C +ATOM 578 CA PHE A 578 610.936 790.605 669.059 1.00 0.00 C +ATOM 579 CA LEU A 579 609.578 787.558 667.218 1.00 0.00 C +ATOM 580 CA TYR A 580 609.528 786.413 663.585 1.00 0.00 C +ATOM 581 CA GLN A 581 609.551 782.705 662.710 1.00 0.00 C +ATOM 582 CA VAL A 582 609.403 779.013 661.778 1.00 0.00 C +ATOM 583 CA SER A 583 607.309 776.094 663.048 1.00 0.00 C +TER 584 SER A 583 +END diff --git a/Mammals/Q5BJW4/Q5BJW4.dcd b/Mammals/Q5BJW4/Q5BJW4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..72d3d6e3000f67d6b19979f79cf7738a4d88f811 --- /dev/null +++ b/Mammals/Q5BJW4/Q5BJW4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c137408f18aa22262a03bd4fd8e6a8aecf724ec0683b437a9b8283db2b7393fb +size 107440276 diff --git a/Mammals/Q5BJW4/top.pdb b/Mammals/Q5BJW4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b2c73daf05b4c7bd4e1a29adaf4efe89ee43fbe0 --- /dev/null +++ b/Mammals/Q5BJW4/top.pdb @@ -0,0 +1,445 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 1080.000 1080.000 1080.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 480.653 556.570 631.803 1.00 0.00 C +ATOM 2 CA PHE A 2 479.078 553.665 633.701 1.00 0.00 C +ATOM 3 CA ALA A 3 475.746 552.124 634.718 1.00 0.00 C +ATOM 4 CA TYR A 4 472.010 552.436 635.398 1.00 0.00 C +ATOM 5 CA ASP A 5 471.017 555.854 634.038 1.00 0.00 C +ATOM 6 CA GLY A 6 468.378 556.196 631.312 1.00 0.00 C +ATOM 7 CA LEU A 7 465.961 557.582 628.713 1.00 0.00 C +ATOM 8 CA SER A 8 464.231 559.420 625.859 1.00 0.00 C +ATOM 9 CA PHE A 9 462.834 561.807 623.239 1.00 0.00 C +ATOM 10 CA MET A 10 461.494 565.364 622.979 1.00 0.00 C +ATOM 11 CA HIS A 11 459.522 566.228 626.123 1.00 0.00 C +ATOM 12 CA THR A 12 457.752 569.526 626.836 1.00 0.00 C +ATOM 13 CA GLY A 13 459.962 572.582 627.378 1.00 0.00 C +ATOM 14 CA GLY A 14 462.510 575.414 627.329 1.00 0.00 C +ATOM 15 CA LEU A 15 465.156 576.104 624.675 1.00 0.00 C +ATOM 16 CA GLY A 16 466.961 579.391 624.003 1.00 0.00 C +ATOM 17 CA GLY A 17 470.325 579.276 625.789 1.00 0.00 C +ATOM 18 CA TYR A 18 470.795 576.124 627.878 1.00 0.00 C +ATOM 19 CA GLY A 19 469.942 572.693 626.458 1.00 0.00 C +ATOM 20 CA SER A 20 468.780 569.088 626.044 1.00 0.00 C +ATOM 21 CA GLY A 21 468.732 565.363 625.247 1.00 0.00 C +ATOM 22 CA ASP A 22 468.918 563.607 628.623 1.00 0.00 C +ATOM 23 CA SER A 23 466.107 564.800 630.902 1.00 0.00 C +ATOM 24 CA GLU A 24 467.600 565.050 634.399 1.00 0.00 C +ATOM 25 CA ASP A 25 465.676 567.409 636.690 1.00 0.00 C +ATOM 26 CA GLU A 26 466.085 570.895 635.207 1.00 0.00 C +ATOM 27 CA ARG A 27 468.746 571.556 632.563 1.00 0.00 C +ATOM 28 CA SER A 28 472.213 572.934 633.337 1.00 0.00 C +ATOM 29 CA ASP A 29 474.326 572.175 636.415 1.00 0.00 C +ATOM 30 CA ARG A 30 477.351 569.974 637.137 1.00 0.00 C +ATOM 31 CA GLY A 31 480.762 571.573 637.706 1.00 0.00 C +ATOM 32 CA SER A 32 484.036 570.662 635.984 1.00 0.00 C +ATOM 33 CA GLU A 33 485.497 570.473 632.470 1.00 0.00 C +ATOM 34 CA SER A 34 487.551 572.417 629.918 1.00 0.00 C +ATOM 35 CA SER A 35 488.927 573.825 626.655 1.00 0.00 C +ATOM 36 CA ASP A 36 488.916 571.601 623.562 1.00 0.00 C +ATOM 37 CA THR A 37 490.190 568.041 623.092 1.00 0.00 C +ATOM 38 CA ASP A 38 488.365 564.980 621.744 1.00 0.00 C +ATOM 39 CA ASP A 39 486.498 562.628 624.089 1.00 0.00 C +ATOM 40 CA GLU A 40 486.419 562.037 627.852 1.00 0.00 C +ATOM 41 CA GLU A 41 487.186 558.379 628.587 1.00 0.00 C +ATOM 42 CA LEU A 42 489.280 556.655 625.911 1.00 0.00 C +ATOM 43 CA ARG A 43 491.193 553.405 626.459 1.00 0.00 C +ATOM 44 CA HIS A 44 491.306 550.865 623.622 1.00 0.00 C +ATOM 45 CA ARG A 45 493.830 548.206 624.659 1.00 0.00 C +ATOM 46 CA ILE A 46 493.045 544.479 624.545 1.00 0.00 C +ATOM 47 CA ARG A 47 491.929 543.188 621.139 1.00 0.00 C +ATOM 48 CA GLN A 48 488.639 542.735 619.271 1.00 0.00 C +ATOM 49 CA LYS A 49 489.300 542.500 615.526 1.00 0.00 C +ATOM 50 CA GLN A 50 492.726 543.078 613.961 1.00 0.00 C +ATOM 51 CA GLU A 51 493.585 546.035 611.718 1.00 0.00 C +ATOM 52 CA ALA A 52 491.594 545.630 608.495 1.00 0.00 C +ATOM 53 CA PHE A 53 493.686 545.709 605.312 1.00 0.00 C +ATOM 54 CA TRP A 54 494.825 546.361 601.736 1.00 0.00 C +ATOM 55 CA ARG A 55 495.277 548.996 599.022 1.00 0.00 C +ATOM 56 CA LYS A 56 496.698 547.311 595.915 1.00 0.00 C +ATOM 57 CA GLU A 57 496.866 545.776 592.431 1.00 0.00 C +ATOM 58 CA LYS A 58 494.826 542.930 590.930 1.00 0.00 C +ATOM 59 CA GLU A 59 495.487 539.215 590.401 1.00 0.00 C +ATOM 60 CA GLN A 60 497.588 536.081 589.874 1.00 0.00 C +ATOM 61 CA GLN A 61 500.736 534.845 588.119 1.00 0.00 C +ATOM 62 CA LEU A 62 500.399 531.313 586.732 1.00 0.00 C +ATOM 63 CA LEU A 63 503.065 530.278 584.215 1.00 0.00 C +ATOM 64 CA GLN A 64 504.853 527.586 582.196 1.00 0.00 C +ATOM 65 CA ASP A 65 505.727 523.905 581.751 1.00 0.00 C +ATOM 66 CA LYS A 66 507.844 522.684 578.828 1.00 0.00 C +ATOM 67 CA GLN A 67 508.879 520.498 575.885 1.00 0.00 C +ATOM 68 CA MET A 68 505.689 519.278 574.196 1.00 0.00 C +ATOM 69 CA GLU A 69 501.888 519.422 573.980 1.00 0.00 C +ATOM 70 CA GLU A 70 500.476 516.040 572.940 1.00 0.00 C +ATOM 71 CA GLU A 71 497.347 514.040 573.793 1.00 0.00 C +ATOM 72 CA LYS A 72 497.193 511.128 571.341 1.00 0.00 C +ATOM 73 CA GLN A 73 497.294 512.272 567.708 1.00 0.00 C +ATOM 74 CA GLN A 74 497.160 515.274 565.367 1.00 0.00 C +ATOM 75 CA THR A 75 495.226 515.247 562.084 1.00 0.00 C +ATOM 76 CA GLU A 76 495.639 517.693 559.192 1.00 0.00 C +ATOM 77 CA ARG A 77 498.353 518.759 556.740 1.00 0.00 C +ATOM 78 CA VAL A 78 501.212 516.310 556.157 1.00 0.00 C +ATOM 79 CA THR A 79 504.584 516.181 557.926 1.00 0.00 C +ATOM 80 CA LYS A 80 508.036 516.313 556.317 1.00 0.00 C +ATOM 81 CA GLU A 81 510.019 519.278 557.656 1.00 0.00 C +ATOM 82 CA MET A 82 513.321 518.858 559.511 1.00 0.00 C +ATOM 83 CA ASN A 83 516.683 520.464 558.716 1.00 0.00 C +ATOM 84 CA GLU A 84 518.582 520.440 562.019 1.00 0.00 C +ATOM 85 CA PHE A 85 521.469 518.061 562.742 1.00 0.00 C +ATOM 86 CA ILE A 86 523.782 517.714 565.750 1.00 0.00 C +ATOM 87 CA HIS A 87 522.767 514.671 567.805 1.00 0.00 C +ATOM 88 CA ARG A 88 521.086 511.436 568.912 1.00 0.00 C +ATOM 89 CA GLU A 89 519.418 509.611 566.013 1.00 0.00 C +ATOM 90 CA GLN A 90 520.204 508.824 562.369 1.00 0.00 C +ATOM 91 CA ASN A 91 521.407 505.313 561.507 1.00 0.00 C +ATOM 92 CA SER A 92 523.244 505.514 558.176 1.00 0.00 C +ATOM 93 CA LEU A 93 525.769 508.123 557.022 1.00 0.00 C +ATOM 94 CA SER A 94 529.324 508.391 558.367 1.00 0.00 C +ATOM 95 CA LEU A 95 532.672 507.494 559.946 1.00 0.00 C +ATOM 96 CA LEU A 96 534.105 507.263 563.469 1.00 0.00 C +ATOM 97 CA GLU A 97 536.664 506.609 566.215 1.00 0.00 C +ATOM 98 CA ALA A 98 539.857 506.180 568.249 1.00 0.00 C +ATOM 99 CA SER A 99 542.971 503.987 568.340 1.00 0.00 C +ATOM 100 CA GLU A 100 546.555 504.821 569.328 1.00 0.00 C +ATOM 101 CA ALA A 101 549.984 503.809 570.643 1.00 0.00 C +ATOM 102 CA ASP A 102 552.047 503.843 573.846 1.00 0.00 C +ATOM 103 CA GLY A 103 552.973 507.393 574.873 1.00 0.00 C +ATOM 104 CA ASP A 104 554.599 509.005 577.918 1.00 0.00 C +ATOM 105 CA THR A 105 555.436 508.391 581.584 1.00 0.00 C +ATOM 106 CA VAL A 106 555.884 507.127 585.150 1.00 0.00 C +ATOM 107 CA ASN A 107 556.291 510.189 587.380 1.00 0.00 C +ATOM 108 CA GLU A 108 558.261 511.370 590.420 1.00 0.00 C +ATOM 109 CA LYS A 109 561.990 510.920 589.783 1.00 0.00 C +ATOM 110 CA LYS A 110 565.534 510.733 591.170 1.00 0.00 C +ATOM 111 CA ARG A 111 566.790 514.329 591.248 1.00 0.00 C +ATOM 112 CA THR A 112 569.312 516.060 593.520 1.00 0.00 C +ATOM 113 CA PRO A 113 571.202 518.845 595.305 1.00 0.00 C +ATOM 114 CA ASN A 114 569.038 520.708 597.826 1.00 0.00 C +ATOM 115 CA GLU A 115 566.250 522.220 595.714 1.00 0.00 C +ATOM 116 CA ALA A 116 563.296 523.481 597.762 1.00 0.00 C +ATOM 117 CA PRO A 117 561.801 526.711 596.401 1.00 0.00 C +ATOM 118 CA SER A 118 561.558 530.357 597.480 1.00 0.00 C +ATOM 119 CA VAL A 119 560.111 531.838 600.678 1.00 0.00 C +ATOM 120 CA LEU A 120 559.684 535.603 600.274 1.00 0.00 C +ATOM 121 CA GLU A 121 562.294 537.626 602.175 1.00 0.00 C +ATOM 122 CA PRO A 122 565.006 540.298 602.316 1.00 0.00 C +ATOM 123 CA LYS A 123 565.030 543.907 603.537 1.00 0.00 C +ATOM 124 CA ARG A 124 562.822 546.562 605.147 1.00 0.00 C +ATOM 125 CA GLU A 125 562.831 547.986 608.681 1.00 0.00 C +ATOM 126 CA HIS A 126 564.268 545.340 611.015 1.00 0.00 C +ATOM 127 CA LYS A 127 567.200 543.643 609.271 1.00 0.00 C +ATOM 128 CA GLY A 128 570.509 541.966 610.138 1.00 0.00 C +ATOM 129 CA LYS A 129 574.032 541.244 608.880 1.00 0.00 C +ATOM 130 CA GLU A 130 576.526 539.974 611.465 1.00 0.00 C +ATOM 131 CA LYS A 131 576.998 539.768 615.240 1.00 0.00 C +ATOM 132 CA GLU A 132 575.669 542.872 617.005 1.00 0.00 C +ATOM 133 CA ARG A 133 575.053 546.348 615.572 1.00 0.00 C +ATOM 134 CA ARG A 134 571.752 546.764 613.717 1.00 0.00 C +ATOM 135 CA SER A 135 571.704 549.456 611.021 1.00 0.00 C +ATOM 136 CA ARG A 136 573.201 552.797 609.963 1.00 0.00 C +ATOM 137 CA SER A 137 576.133 555.170 610.494 1.00 0.00 C +ATOM 138 CA GLY A 138 574.865 558.492 611.863 1.00 0.00 C +ATOM 139 CA SER A 139 572.713 561.526 612.687 1.00 0.00 C +ATOM 140 CA SER A 140 569.339 561.862 614.425 1.00 0.00 C +ATOM 141 CA SER A 141 565.792 562.114 615.794 1.00 0.00 C +ATOM 142 CA SER A 142 562.942 564.512 616.598 1.00 0.00 C +ATOM 143 CA GLY A 143 561.330 567.835 615.663 1.00 0.00 C +ATOM 144 CA SER A 144 563.440 570.326 613.700 1.00 0.00 C +ATOM 145 CA SER A 145 563.698 574.113 613.373 1.00 0.00 C +ATOM 146 CA SER A 146 560.414 575.745 612.338 1.00 0.00 C +ATOM 147 CA SER A 147 558.712 576.463 609.006 1.00 0.00 C +ATOM 148 CA ASN A 148 555.363 576.135 607.219 1.00 0.00 C +ATOM 149 CA SER A 149 552.893 573.238 607.072 1.00 0.00 C +ATOM 150 CA ARG A 150 551.308 569.968 605.926 1.00 0.00 C +ATOM 151 CA SER A 151 548.982 569.080 603.042 1.00 0.00 C +ATOM 152 CA SER A 152 549.288 571.940 600.542 1.00 0.00 C +ATOM 153 CA SER A 153 548.331 575.497 599.570 1.00 0.00 C +ATOM 154 CA SER A 154 546.542 578.834 599.151 1.00 0.00 C +ATOM 155 CA SER A 155 546.778 581.570 596.510 1.00 0.00 C +ATOM 156 CA SER A 156 549.002 580.208 593.733 1.00 0.00 C +ATOM 157 CA SER A 157 549.449 577.100 591.575 1.00 0.00 C +ATOM 158 CA VAL A 158 545.981 575.786 590.702 1.00 0.00 C +ATOM 159 CA SER A 159 542.859 576.375 588.599 1.00 0.00 C +ATOM 160 CA SER A 160 540.435 579.008 587.293 1.00 0.00 C +ATOM 161 CA SER A 161 537.442 581.037 588.494 1.00 0.00 C +ATOM 162 CA SER A 162 533.964 579.765 587.597 1.00 0.00 C +ATOM 163 CA TYR A 163 531.312 582.033 586.068 1.00 0.00 C +ATOM 164 CA SER A 164 529.690 583.888 588.973 1.00 0.00 C +ATOM 165 CA SER A 165 530.920 586.953 590.872 1.00 0.00 C +ATOM 166 CA SER A 166 532.882 589.963 589.604 1.00 0.00 C +ATOM 167 CA SER A 167 536.240 591.069 588.182 1.00 0.00 C +ATOM 168 CA GLY A 168 535.952 594.175 585.995 1.00 0.00 C +ATOM 169 CA SER A 169 535.477 597.115 588.372 1.00 0.00 C +ATOM 170 CA SER A 170 535.891 600.381 590.289 1.00 0.00 C +ATOM 171 CA CYS A 171 538.312 603.223 589.528 1.00 0.00 C +ATOM 172 CA THR A 172 539.986 604.708 586.444 1.00 0.00 C +ATOM 173 CA SER A 173 541.115 603.922 582.891 1.00 0.00 C +ATOM 174 CA SER A 174 539.614 605.727 579.890 1.00 0.00 C +ATOM 175 CA ARG A 175 540.887 607.712 576.897 1.00 0.00 C +ATOM 176 CA SER A 176 542.703 610.224 574.682 1.00 0.00 C +ATOM 177 CA SER A 177 541.793 613.798 575.642 1.00 0.00 C +ATOM 178 CA SER A 178 538.442 615.373 576.537 1.00 0.00 C +ATOM 179 CA PRO A 179 535.829 614.264 573.995 1.00 0.00 C +ATOM 180 CA LYS A 180 533.254 611.778 575.303 1.00 0.00 C +ATOM 181 CA ARG A 181 534.357 608.685 577.234 1.00 0.00 C +ATOM 182 CA LYS A 182 532.666 605.304 577.714 1.00 0.00 C +ATOM 183 CA LYS A 183 530.032 605.159 580.464 1.00 0.00 C +ATOM 184 CA ARG A 184 527.455 602.441 579.770 1.00 0.00 C +ATOM 185 CA HIS A 185 528.847 599.002 578.901 1.00 0.00 C +ATOM 186 CA SER A 186 532.433 598.937 580.187 1.00 0.00 C +ATOM 187 CA ARG A 187 533.916 595.435 580.418 1.00 0.00 C +ATOM 188 CA SER A 188 533.524 591.662 580.769 1.00 0.00 C +ATOM 189 CA ARG A 189 530.032 590.138 580.789 1.00 0.00 C +ATOM 190 CA SER A 190 527.916 592.618 578.819 1.00 0.00 C +ATOM 191 CA PRO A 191 525.082 591.161 576.731 1.00 0.00 C +ATOM 192 CA THR A 192 521.981 589.654 575.109 1.00 0.00 C +ATOM 193 CA VAL A 193 521.473 587.833 571.801 1.00 0.00 C +ATOM 194 CA LYS A 194 522.127 586.490 568.296 1.00 0.00 C +ATOM 195 CA ALA A 195 524.304 583.378 567.988 1.00 0.00 C +ATOM 196 CA ARG A 196 526.550 580.391 568.728 1.00 0.00 C +ATOM 197 CA ARG A 197 527.941 576.917 568.012 1.00 0.00 C +ATOM 198 CA SER A 198 527.155 573.344 566.948 1.00 0.00 C +ATOM 199 CA ARG A 199 523.811 571.539 566.679 1.00 0.00 C +ATOM 200 CA SER A 200 521.663 568.422 567.116 1.00 0.00 C +ATOM 201 CA ARG A 201 520.336 565.472 569.128 1.00 0.00 C +ATOM 202 CA SER A 202 519.841 561.954 567.752 1.00 0.00 C +ATOM 203 CA TYR A 203 523.347 560.525 567.333 1.00 0.00 C +ATOM 204 CA SER A 204 524.870 557.373 565.827 1.00 0.00 C +ATOM 205 CA ARG A 205 523.529 557.033 562.278 1.00 0.00 C +ATOM 206 CA ARG A 206 526.384 557.720 559.850 1.00 0.00 C +ATOM 207 CA ILE A 207 528.454 557.152 556.702 1.00 0.00 C +ATOM 208 CA LYS A 208 528.888 556.321 553.009 1.00 0.00 C +ATOM 209 CA ILE A 209 528.967 557.531 549.397 1.00 0.00 C +ATOM 210 CA ASP A 210 525.511 558.351 548.019 1.00 0.00 C +ATOM 211 CA SER A 211 523.707 558.099 544.672 1.00 0.00 C +ATOM 212 CA SER A 212 525.354 559.295 541.452 1.00 0.00 C +ATOM 213 CA ARG A 213 522.935 561.556 539.568 1.00 0.00 C +ATOM 214 CA THR A 214 523.036 562.667 535.925 1.00 0.00 C +ATOM 215 CA ARG A 215 522.656 564.887 532.853 1.00 0.00 C +ATOM 216 CA VAL A 216 519.519 566.279 531.198 1.00 0.00 C +ATOM 217 CA LYS A 217 516.416 565.963 529.011 1.00 0.00 C +ATOM 218 CA LEU A 218 515.055 566.458 525.487 1.00 0.00 C +ATOM 219 CA ARG A 219 516.872 569.052 523.369 1.00 0.00 C +ATOM 220 CA ASP A 220 515.884 572.724 523.133 1.00 0.00 C +ATOM 221 CA ARG A 221 516.696 573.706 519.542 1.00 0.00 C +ATOM 222 CA ARG A 222 515.996 574.358 515.854 1.00 0.00 C +ATOM 223 CA ARG A 223 513.665 572.687 513.345 1.00 0.00 C +ATOM 224 CA SER A 224 511.287 569.956 514.527 1.00 0.00 C +ATOM 225 CA ASN A 225 508.755 568.448 512.112 1.00 0.00 C +ATOM 226 CA ARG A 226 507.198 565.519 513.986 1.00 0.00 C +ATOM 227 CA SER A 227 506.159 563.719 517.180 1.00 0.00 C +ATOM 228 CA SER A 228 507.931 561.953 520.053 1.00 0.00 C +ATOM 229 CA ILE A 229 509.418 558.477 519.579 1.00 0.00 C +ATOM 230 CA GLU A 230 512.398 557.394 517.467 1.00 0.00 C +ATOM 231 CA ARG A 231 516.174 556.891 517.455 1.00 0.00 C +ATOM 232 CA GLU A 232 517.777 553.448 517.141 1.00 0.00 C +ATOM 233 CA ARG A 233 519.866 550.730 515.479 1.00 0.00 C +ATOM 234 CA ARG A 234 517.871 548.094 513.585 1.00 0.00 C +ATOM 235 CA ARG A 235 518.317 548.371 509.811 1.00 0.00 C +ATOM 236 CA ASN A 236 520.130 546.760 506.873 1.00 0.00 C +ATOM 237 CA ARG A 237 522.689 544.732 504.909 1.00 0.00 C +ATOM 238 CA SER A 238 521.251 541.533 503.421 1.00 0.00 C +ATOM 239 CA PRO A 239 520.607 540.171 499.921 1.00 0.00 C +ATOM 240 CA SER A 240 521.790 536.608 499.271 1.00 0.00 C +ATOM 241 CA ARG A 241 525.339 536.909 497.920 1.00 0.00 C +ATOM 242 CA ASP A 242 526.591 540.186 496.433 1.00 0.00 C +ATOM 243 CA ARG A 243 526.439 543.353 494.322 1.00 0.00 C +ATOM 244 CA ARG A 244 528.276 542.486 491.098 1.00 0.00 C +ATOM 245 CA ARG A 245 529.488 541.886 487.536 1.00 0.00 C +ATOM 246 CA SER A 246 532.139 542.993 485.033 1.00 0.00 C +ATOM 247 CA ARG A 247 534.504 545.685 483.740 1.00 0.00 C +ATOM 248 CA SER A 248 536.868 547.577 486.053 1.00 0.00 C +ATOM 249 CA ARG A 249 539.677 550.102 486.557 1.00 0.00 C +ATOM 250 CA SER A 250 540.838 551.347 489.966 1.00 0.00 C +ATOM 251 CA ARG A 251 544.464 552.515 489.984 1.00 0.00 C +ATOM 252 CA ASP A 252 546.706 553.304 487.006 1.00 0.00 C +ATOM 253 CA ARG A 253 550.021 551.446 486.744 1.00 0.00 C +ATOM 254 CA ARG A 254 553.624 551.772 485.546 1.00 0.00 C +ATOM 255 CA THR A 255 556.355 554.207 484.486 1.00 0.00 C +ATOM 256 CA ASN A 256 559.697 554.197 486.315 1.00 0.00 C +ATOM 257 CA ARG A 257 563.350 554.463 487.365 1.00 0.00 C +ATOM 258 CA SER A 258 564.949 553.445 490.670 1.00 0.00 C +ATOM 259 CA SER A 259 564.338 553.945 494.397 1.00 0.00 C +ATOM 260 CA ARG A 260 562.395 556.445 496.515 1.00 0.00 C +ATOM 261 CA SER A 261 563.347 559.531 498.538 1.00 0.00 C +ATOM 262 CA ARG A 262 562.902 560.294 502.244 1.00 0.00 C +ATOM 263 CA SER A 263 563.408 560.966 505.960 1.00 0.00 C +ATOM 264 CA ARG A 264 567.091 560.709 506.901 1.00 0.00 C +ATOM 265 CA ASP A 265 570.799 560.375 506.091 1.00 0.00 C +ATOM 266 CA ARG A 266 573.966 561.791 504.516 1.00 0.00 C +ATOM 267 CA ARG A 267 576.830 560.195 506.456 1.00 0.00 C +ATOM 268 CA LYS A 268 578.470 558.215 509.268 1.00 0.00 C +ATOM 269 CA ILE A 269 578.586 554.557 508.208 1.00 0.00 C +ATOM 270 CA GLU A 270 576.483 551.384 508.367 1.00 0.00 C +ATOM 271 CA ASP A 271 573.599 548.898 508.253 1.00 0.00 C +ATOM 272 CA PRO A 272 571.937 548.928 511.681 1.00 0.00 C +ATOM 273 CA ARG A 273 573.661 551.268 514.144 1.00 0.00 C +ATOM 274 CA GLY A 274 575.846 550.535 517.178 1.00 0.00 C +ATOM 275 CA ASN A 275 576.667 548.283 520.140 1.00 0.00 C +ATOM 276 CA LEU A 276 579.560 546.079 519.007 1.00 0.00 C +ATOM 277 CA SER A 277 580.219 542.326 519.001 1.00 0.00 C +ATOM 278 CA GLY A 278 581.788 538.998 519.990 1.00 0.00 C +ATOM 279 CA ASN A 279 583.204 535.711 518.684 1.00 0.00 C +ATOM 280 CA SER A 280 586.633 535.182 520.257 1.00 0.00 C +ATOM 281 CA HIS A 281 588.359 536.975 523.142 1.00 0.00 C +ATOM 282 CA LYS A 282 586.161 538.738 525.707 1.00 0.00 C +ATOM 283 CA HIS A 283 583.266 538.773 528.183 1.00 0.00 C +ATOM 284 CA LYS A 284 582.741 539.555 531.875 1.00 0.00 C +ATOM 285 CA GLY A 285 585.962 539.996 533.861 1.00 0.00 C +ATOM 286 CA GLU A 286 588.784 542.403 534.735 1.00 0.00 C +ATOM 287 CA ALA A 287 591.056 542.791 531.701 1.00 0.00 C +ATOM 288 CA LYS A 288 593.254 539.755 531.017 1.00 0.00 C +ATOM 289 CA GLU A 289 593.363 539.367 527.229 1.00 0.00 C +ATOM 290 CA GLN A 290 594.284 538.734 523.586 1.00 0.00 C +ATOM 291 CA ASP A 291 596.513 535.646 523.696 1.00 0.00 C +ATOM 292 CA ARG A 292 595.812 532.461 521.726 1.00 0.00 C +ATOM 293 CA LYS A 293 592.621 530.379 521.758 1.00 0.00 C +ATOM 294 CA LYS A 294 591.768 527.423 524.005 1.00 0.00 C +ATOM 295 CA GLU A 295 592.242 524.064 522.271 1.00 0.00 C +ATOM 296 CA ARG A 296 591.027 521.452 519.777 1.00 0.00 C +ATOM 297 CA SER A 297 588.624 518.864 518.349 1.00 0.00 C +ATOM 298 CA ARG A 298 585.035 518.051 517.363 1.00 0.00 C +ATOM 299 CA SER A 299 583.181 518.257 514.040 1.00 0.00 C +ATOM 300 CA VAL A 300 580.865 516.493 511.583 1.00 0.00 C +ATOM 301 CA ASP A 301 580.737 515.324 507.959 1.00 0.00 C +ATOM 302 CA LYS A 302 581.108 513.420 504.680 1.00 0.00 C +ATOM 303 CA ASP A 303 580.171 513.833 501.010 1.00 0.00 C +ATOM 304 CA ARG A 304 578.426 516.337 498.729 1.00 0.00 C +ATOM 305 CA ARG A 305 575.346 517.407 496.760 1.00 0.00 C +ATOM 306 CA LYS A 306 575.437 515.423 493.508 1.00 0.00 C +ATOM 307 CA LYS A 307 574.363 512.648 491.129 1.00 0.00 C +ATOM 308 CA ASP A 308 572.795 510.869 488.147 1.00 0.00 C +ATOM 309 CA LYS A 309 569.023 511.396 488.032 1.00 0.00 C +ATOM 310 CA GLU A 310 567.011 508.378 489.197 1.00 0.00 C +ATOM 311 CA ARG A 311 563.338 507.424 488.854 1.00 0.00 C +ATOM 312 CA ASP A 312 562.468 505.242 485.854 1.00 0.00 C +ATOM 313 CA ARG A 313 562.561 501.870 484.083 1.00 0.00 C +ATOM 314 CA GLU A 314 559.680 500.022 482.410 1.00 0.00 C +ATOM 315 CA GLN A 315 560.316 496.341 483.159 1.00 0.00 C +ATOM 316 CA ASP A 316 558.414 494.408 480.483 1.00 0.00 C +ATOM 317 CA LYS A 317 555.962 494.022 477.593 1.00 0.00 C +ATOM 318 CA ARG A 318 552.295 494.696 478.377 1.00 0.00 C +ATOM 319 CA LYS A 319 549.284 493.009 476.762 1.00 0.00 C +ATOM 320 CA GLU A 320 546.703 492.513 479.520 1.00 0.00 C +ATOM 321 CA LYS A 321 545.802 490.250 482.450 1.00 0.00 C +ATOM 322 CA GLN A 322 542.462 489.992 484.264 1.00 0.00 C +ATOM 323 CA LYS A 323 539.275 489.533 486.301 1.00 0.00 C +ATOM 324 CA ARG A 324 536.192 487.295 486.270 1.00 0.00 C +ATOM 325 CA GLU A 325 535.107 486.271 482.764 1.00 0.00 C +ATOM 326 CA GLU A 326 534.346 485.376 479.140 1.00 0.00 C +ATOM 327 CA LYS A 327 531.967 487.192 476.783 1.00 0.00 C +ATOM 328 CA ASP A 328 533.380 490.716 476.457 1.00 0.00 C +ATOM 329 CA PHE A 329 532.505 493.662 474.205 1.00 0.00 C +ATOM 330 CA LYS A 330 529.675 495.278 472.230 1.00 0.00 C +ATOM 331 CA PHE A 331 530.062 499.009 471.566 1.00 0.00 C +ATOM 332 CA SER A 332 531.507 502.445 472.356 1.00 0.00 C +ATOM 333 CA SER A 333 530.563 503.622 475.854 1.00 0.00 C +ATOM 334 CA GLN A 334 528.073 505.955 477.549 1.00 0.00 C +ATOM 335 CA ASP A 335 526.118 504.366 480.407 1.00 0.00 C +ATOM 336 CA ASP A 336 525.447 500.650 480.913 1.00 0.00 C +ATOM 337 CA ARG A 337 522.764 498.436 482.468 1.00 0.00 C +ATOM 338 CA LEU A 338 519.316 499.857 483.248 1.00 0.00 C +ATOM 339 CA LYS A 339 516.965 499.612 486.235 1.00 0.00 C +ATOM 340 CA ARG A 340 516.584 496.952 488.937 1.00 0.00 C +ATOM 341 CA LYS A 341 519.359 494.894 490.543 1.00 0.00 C +ATOM 342 CA ARG A 342 522.298 497.130 491.483 1.00 0.00 C +ATOM 343 CA GLU A 343 521.954 500.917 491.247 1.00 0.00 C +ATOM 344 CA SER A 344 523.581 504.301 491.892 1.00 0.00 C +ATOM 345 CA GLU A 345 525.681 507.437 491.370 1.00 0.00 C +ATOM 346 CA ARG A 346 527.573 509.713 493.768 1.00 0.00 C +ATOM 347 CA THR A 347 530.992 510.387 495.308 1.00 0.00 C +ATOM 348 CA PHE A 348 531.697 509.185 498.855 1.00 0.00 C +ATOM 349 CA CYS A 349 533.133 511.847 501.172 1.00 0.00 C +ATOM 350 CA ARG A 350 532.471 514.155 504.130 1.00 0.00 C +ATOM 351 CA SER A 351 529.627 516.473 505.156 1.00 0.00 C +ATOM 352 CA GLY A 352 527.928 517.406 501.876 1.00 0.00 C +ATOM 353 CA SER A 353 528.086 516.059 498.315 1.00 0.00 C +ATOM 354 CA ILE A 354 528.809 516.781 494.645 1.00 0.00 C +ATOM 355 CA SER A 355 527.803 518.197 491.254 1.00 0.00 C +ATOM 356 CA VAL A 356 530.148 517.283 488.393 1.00 0.00 C +ATOM 357 CA LYS A 357 531.136 513.657 487.767 1.00 0.00 C +ATOM 358 CA VAL A 358 530.392 511.601 484.646 1.00 0.00 C +ATOM 359 CA ILE A 359 528.466 512.386 481.454 1.00 0.00 C +ATOM 360 CA ARG A 360 529.400 513.472 477.924 1.00 0.00 C +ATOM 361 CA HIS A 361 528.241 512.732 474.371 1.00 0.00 C +ATOM 362 CA ASP A 362 528.073 513.696 470.689 1.00 0.00 C +ATOM 363 CA SER A 363 526.999 513.947 467.042 1.00 0.00 C +ATOM 364 CA ARG A 364 528.440 513.837 463.516 1.00 0.00 C +ATOM 365 CA GLN A 365 529.037 510.483 461.811 1.00 0.00 C +ATOM 366 CA ASP A 366 527.286 507.659 459.947 1.00 0.00 C +ATOM 367 CA SER A 367 527.058 506.771 456.249 1.00 0.00 C +ATOM 368 CA LYS A 368 528.881 509.161 453.908 1.00 0.00 C +ATOM 369 CA LYS A 369 532.383 510.102 455.078 1.00 0.00 C +ATOM 370 CA ASN A 370 536.181 510.402 455.060 1.00 0.00 C +ATOM 371 CA ALA A 371 538.944 507.868 454.380 1.00 0.00 C +ATOM 372 CA THR A 372 542.102 507.631 452.261 1.00 0.00 C +ATOM 373 CA LYS A 373 542.771 510.926 450.469 1.00 0.00 C +ATOM 374 CA ASP A 374 546.363 512.190 450.330 1.00 0.00 C +ATOM 375 CA SER A 375 549.676 512.979 448.622 1.00 0.00 C +ATOM 376 CA LYS A 376 550.593 515.969 446.446 1.00 0.00 C +ATOM 377 CA LYS A 377 553.048 518.146 448.382 1.00 0.00 C +ATOM 378 CA HIS A 378 553.439 517.600 452.132 1.00 0.00 C +ATOM 379 CA SER A 379 556.600 516.354 453.857 1.00 0.00 C +ATOM 380 CA GLY A 380 557.429 515.884 457.546 1.00 0.00 C +ATOM 381 CA SER A 381 559.088 517.012 460.785 1.00 0.00 C +ATOM 382 CA ASP A 382 562.492 515.313 460.995 1.00 0.00 C +ATOM 383 CA SER A 383 563.653 511.762 460.244 1.00 0.00 C +ATOM 384 CA SER A 384 565.497 508.438 459.997 1.00 0.00 C +ATOM 385 CA GLY A 385 568.510 506.569 461.389 1.00 0.00 C +ATOM 386 CA ARG A 386 571.981 507.144 462.852 1.00 0.00 C +ATOM 387 CA SER A 387 573.605 503.935 464.108 1.00 0.00 C +ATOM 388 CA SER A 388 573.285 500.741 466.161 1.00 0.00 C +ATOM 389 CA SER A 389 576.532 498.899 466.921 1.00 0.00 C +ATOM 390 CA GLU A 390 579.289 501.518 466.667 1.00 0.00 C +ATOM 391 CA SER A 391 580.306 503.496 463.574 1.00 0.00 C +ATOM 392 CA PRO A 392 580.146 506.853 461.780 1.00 0.00 C +ATOM 393 CA GLY A 393 582.901 508.036 459.430 1.00 0.00 C +ATOM 394 CA SER A 394 586.157 509.470 458.066 1.00 0.00 C +ATOM 395 CA SER A 395 585.473 513.157 457.394 1.00 0.00 C +ATOM 396 CA LYS A 396 583.437 516.055 458.799 1.00 0.00 C +ATOM 397 CA GLU A 397 579.816 516.343 459.949 1.00 0.00 C +ATOM 398 CA LYS A 398 576.489 516.709 461.768 1.00 0.00 C +ATOM 399 CA LYS A 399 573.583 516.578 464.229 1.00 0.00 C +ATOM 400 CA ALA A 400 574.782 514.649 467.288 1.00 0.00 C +ATOM 401 CA LYS A 401 574.264 514.312 471.048 1.00 0.00 C +ATOM 402 CA LYS A 402 574.982 516.450 474.119 1.00 0.00 C +ATOM 403 CA PRO A 403 575.983 514.836 477.421 1.00 0.00 C +ATOM 404 CA LYS A 404 579.636 515.604 478.187 1.00 0.00 C +ATOM 405 CA HIS A 405 581.383 516.965 475.087 1.00 0.00 C +ATOM 406 CA SER A 406 580.901 520.246 473.211 1.00 0.00 C +ATOM 407 CA ARG A 407 578.726 523.013 474.671 1.00 0.00 C +ATOM 408 CA SER A 408 577.460 521.775 478.045 1.00 0.00 C +ATOM 409 CA ARG A 409 579.004 521.034 481.448 1.00 0.00 C +ATOM 410 CA SER A 410 580.937 524.157 482.464 1.00 0.00 C +ATOM 411 CA MET A 411 583.370 524.948 479.641 1.00 0.00 C +ATOM 412 CA GLU A 412 585.682 522.523 477.827 1.00 0.00 C +ATOM 413 CA LYS A 413 587.694 522.077 474.623 1.00 0.00 C +ATOM 414 CA SER A 414 590.474 520.963 472.268 1.00 0.00 C +ATOM 415 CA GLN A 415 590.126 523.215 469.214 1.00 0.00 C +ATOM 416 CA ARG A 416 590.965 525.346 466.170 1.00 0.00 C +ATOM 417 CA SER A 417 589.894 528.919 466.947 1.00 0.00 C +ATOM 418 CA GLY A 418 591.445 530.907 469.803 1.00 0.00 C +ATOM 419 CA LYS A 419 592.953 529.277 472.900 1.00 0.00 C +ATOM 420 CA LYS A 420 596.695 529.905 472.560 1.00 0.00 C +ATOM 421 CA ALA A 421 600.442 529.232 472.400 1.00 0.00 C +ATOM 422 CA SER A 422 602.552 531.992 473.964 1.00 0.00 C +ATOM 423 CA ARG A 423 603.431 534.845 476.331 1.00 0.00 C +ATOM 424 CA LYS A 424 604.935 535.411 479.785 1.00 0.00 C +ATOM 425 CA HIS A 425 605.040 535.346 483.593 1.00 0.00 C +ATOM 426 CA LYS A 426 602.887 537.000 486.267 1.00 0.00 C +ATOM 427 CA SER A 427 599.597 535.654 487.636 1.00 0.00 C +ATOM 428 CA LYS A 428 596.637 537.579 486.205 1.00 0.00 C +ATOM 429 CA SER A 429 595.925 541.169 487.266 1.00 0.00 C +ATOM 430 CA ARG A 430 596.741 544.340 485.317 1.00 0.00 C +ATOM 431 CA SER A 431 594.803 544.544 482.043 1.00 0.00 C +ATOM 432 CA ARG A 432 595.197 544.012 478.291 1.00 0.00 C +ATOM 433 CA SER A 433 593.118 541.137 476.903 1.00 0.00 C +ATOM 434 CA THR A 434 593.213 538.052 474.668 1.00 0.00 C +ATOM 435 CA THR A 435 591.615 534.847 475.967 1.00 0.00 C +ATOM 436 CA PRO A 436 588.916 532.217 476.529 1.00 0.00 C +ATOM 437 CA PRO A 437 585.447 533.455 477.503 1.00 0.00 C +ATOM 438 CA ARG A 438 582.647 530.906 477.077 1.00 0.00 C +ATOM 439 CA ARG A 439 579.569 528.757 476.427 1.00 0.00 C +ATOM 440 CA LYS A 440 576.886 530.218 474.151 1.00 0.00 C +ATOM 441 CA ARG A 441 574.787 531.742 471.361 1.00 0.00 C +TER 442 ARG A 441 +END diff --git a/Mammals/Q5BKV2/Q5BKV2.dcd b/Mammals/Q5BKV2/Q5BKV2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..01922e8acbc87cc54caf25f27030fdcb428262a1 --- /dev/null +++ b/Mammals/Q5BKV2/Q5BKV2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f60464b7193be22ef5877d6a5171bacff868e62523ed86d9fe7d5b19cf219b18 +size 13880276 diff --git a/Mammals/Q5BKV2/top.pdb b/Mammals/Q5BKV2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b1e8d8bc62484485c4c703f6945bbb641fef92fd --- /dev/null +++ b/Mammals/Q5BKV2/top.pdb @@ -0,0 +1,113 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 250.010 207.111 238.553 1.00 0.00 C +ATOM 2 CA PRO A 2 246.474 208.354 237.867 1.00 0.00 C +ATOM 3 CA ALA A 3 244.340 210.684 239.996 1.00 0.00 C +ATOM 4 CA GLU A 4 243.964 212.314 243.419 1.00 0.00 C +ATOM 5 CA ARG A 5 245.943 214.713 245.620 1.00 0.00 C +ATOM 6 CA LYS A 6 246.667 217.758 247.792 1.00 0.00 C +ATOM 7 CA LYS A 7 246.495 220.997 245.793 1.00 0.00 C +ATOM 8 CA PRO A 8 246.116 221.868 242.103 1.00 0.00 C +ATOM 9 CA ALA A 9 243.871 221.984 239.028 1.00 0.00 C +ATOM 10 CA SER A 10 240.221 222.784 238.284 1.00 0.00 C +ATOM 11 CA MET A 11 236.499 223.474 237.849 1.00 0.00 C +ATOM 12 CA GLU A 12 233.348 223.082 239.956 1.00 0.00 C +ATOM 13 CA GLU A 13 233.371 223.386 243.754 1.00 0.00 C +ATOM 14 CA LYS A 14 230.370 222.952 246.061 1.00 0.00 C +ATOM 15 CA ASP A 15 227.570 225.176 247.376 1.00 0.00 C +ATOM 16 CA SER A 16 223.989 224.176 246.544 1.00 0.00 C +ATOM 17 CA LEU A 17 222.314 221.582 244.312 1.00 0.00 C +ATOM 18 CA PRO A 18 219.359 219.180 244.455 1.00 0.00 C +ATOM 19 CA ASN A 19 217.664 219.513 247.851 1.00 0.00 C +ATOM 20 CA ASN A 20 217.914 222.961 249.451 1.00 0.00 C +ATOM 21 CA LYS A 21 220.189 223.208 252.497 1.00 0.00 C +ATOM 22 CA GLU A 22 223.303 223.357 254.688 1.00 0.00 C +ATOM 23 CA LYS A 23 225.706 226.306 254.895 1.00 0.00 C +ATOM 24 CA ASP A 24 228.463 225.408 257.367 1.00 0.00 C +ATOM 25 CA CYS A 25 230.899 226.094 260.215 1.00 0.00 C +ATOM 26 CA SER A 26 234.305 225.040 261.559 1.00 0.00 C +ATOM 27 CA GLU A 27 236.940 222.430 262.431 1.00 0.00 C +ATOM 28 CA ARG A 28 239.047 219.738 260.750 1.00 0.00 C +ATOM 29 CA ARG A 29 242.266 217.849 261.517 1.00 0.00 C +ATOM 30 CA THR A 30 245.374 220.051 261.452 1.00 0.00 C +ATOM 31 CA VAL A 31 245.944 222.054 258.262 1.00 0.00 C +ATOM 32 CA SER A 32 247.265 225.421 259.458 1.00 0.00 C +ATOM 33 CA SER A 33 249.198 228.568 260.395 1.00 0.00 C +ATOM 34 CA LYS A 34 252.974 228.516 260.899 1.00 0.00 C +ATOM 35 CA GLU A 35 254.834 225.358 259.860 1.00 0.00 C +ATOM 36 CA ARG A 36 258.298 225.264 258.276 1.00 0.00 C +ATOM 37 CA PRO A 37 259.329 227.616 255.462 1.00 0.00 C +ATOM 38 CA LYS A 38 262.444 229.666 254.682 1.00 0.00 C +ATOM 39 CA ASP A 39 263.031 233.403 255.141 1.00 0.00 C +ATOM 40 CA ASP A 40 266.446 234.717 256.202 1.00 0.00 C +ATOM 41 CA ILE A 41 265.910 237.914 258.205 1.00 0.00 C +ATOM 42 CA LYS A 42 266.501 240.947 260.434 1.00 0.00 C +ATOM 43 CA LEU A 43 268.372 241.674 263.672 1.00 0.00 C +ATOM 44 CA THR A 44 271.259 243.662 265.166 1.00 0.00 C +ATOM 45 CA ALA A 45 271.675 247.298 264.107 1.00 0.00 C +ATOM 46 CA LYS A 46 270.780 249.719 261.304 1.00 0.00 C +ATOM 47 CA LYS A 47 267.972 249.774 258.729 1.00 0.00 C +ATOM 48 CA GLU A 48 264.442 248.701 259.680 1.00 0.00 C +ATOM 49 CA VAL A 49 262.289 246.262 261.662 1.00 0.00 C +ATOM 50 CA SER A 50 262.088 244.218 264.871 1.00 0.00 C +ATOM 51 CA LYS A 51 258.858 244.320 266.889 1.00 0.00 C +ATOM 52 CA ALA A 52 255.966 243.116 264.721 1.00 0.00 C +ATOM 53 CA PRO A 53 253.738 243.578 261.665 1.00 0.00 C +ATOM 54 CA GLU A 54 250.212 242.439 260.779 1.00 0.00 C +ATOM 55 CA ASP A 55 248.299 245.412 259.357 1.00 0.00 C +ATOM 56 CA LYS A 56 246.928 248.811 258.319 1.00 0.00 C +ATOM 57 CA LYS A 57 244.609 251.532 259.636 1.00 0.00 C +ATOM 58 CA LYS A 58 243.747 254.342 257.212 1.00 0.00 C +ATOM 59 CA ARG A 59 244.728 257.931 258.031 1.00 0.00 C +ATOM 60 CA LEU A 60 245.873 260.028 255.064 1.00 0.00 C +ATOM 61 CA GLU A 61 248.461 258.882 252.513 1.00 0.00 C +ATOM 62 CA ASP A 62 248.596 261.690 249.941 1.00 0.00 C +ATOM 63 CA ASP A 63 247.103 263.862 247.190 1.00 0.00 C +ATOM 64 CA LYS A 64 245.717 265.594 244.093 1.00 0.00 C +ATOM 65 CA ARG A 65 245.851 267.902 241.064 1.00 0.00 C +ATOM 66 CA LYS A 66 245.108 271.638 241.144 1.00 0.00 C +ATOM 67 CA LYS A 67 241.640 272.865 240.153 1.00 0.00 C +ATOM 68 CA GLU A 68 241.233 276.537 239.224 1.00 0.00 C +ATOM 69 CA ASP A 69 241.235 276.760 235.420 1.00 0.00 C +ATOM 70 CA LYS A 70 243.415 277.710 232.443 1.00 0.00 C +ATOM 71 CA GLU A 71 244.597 280.469 230.097 1.00 0.00 C +ATOM 72 CA ARG A 72 248.382 280.043 230.000 1.00 0.00 C +ATOM 73 CA LYS A 73 249.451 276.710 231.504 1.00 0.00 C +ATOM 74 CA LYS A 74 249.375 274.109 234.287 1.00 0.00 C +ATOM 75 CA LYS A 75 252.867 274.278 235.803 1.00 0.00 C +ATOM 76 CA ASP A 76 252.351 274.921 239.523 1.00 0.00 C +ATOM 77 CA GLU A 77 253.175 276.872 242.691 1.00 0.00 C +ATOM 78 CA GLU A 78 252.814 275.409 246.190 1.00 0.00 C +ATOM 79 CA LYS A 79 255.113 273.988 248.875 1.00 0.00 C +ATOM 80 CA VAL A 80 255.423 270.247 249.527 1.00 0.00 C +ATOM 81 CA LYS A 81 254.711 268.677 252.925 1.00 0.00 C +ATOM 82 CA ALA A 82 251.384 266.846 253.232 1.00 0.00 C +ATOM 83 CA GLU A 83 251.796 264.233 255.975 1.00 0.00 C +ATOM 84 CA GLU A 84 253.901 261.070 255.695 1.00 0.00 C +ATOM 85 CA GLU A 85 254.884 260.155 259.261 1.00 0.00 C +ATOM 86 CA SER A 86 256.903 262.068 261.865 1.00 0.00 C +ATOM 87 CA LYS A 87 258.345 265.194 263.497 1.00 0.00 C +ATOM 88 CA LYS A 88 259.323 266.736 266.841 1.00 0.00 C +ATOM 89 CA LYS A 89 259.518 270.531 266.566 1.00 0.00 C +ATOM 90 CA GLU A 90 259.649 271.813 262.980 1.00 0.00 C +ATOM 91 CA GLU A 91 258.311 273.441 259.806 1.00 0.00 C +ATOM 92 CA GLU A 92 255.322 274.593 257.743 1.00 0.00 C +ATOM 93 CA GLU A 93 255.106 278.278 256.797 1.00 0.00 C +ATOM 94 CA LYS A 94 252.840 281.338 256.937 1.00 0.00 C +ATOM 95 CA LYS A 95 252.400 283.767 254.035 1.00 0.00 C +ATOM 96 CA LYS A 96 254.181 283.600 250.671 1.00 0.00 C +ATOM 97 CA HIS A 97 255.183 280.076 249.624 1.00 0.00 C +ATOM 98 CA GLN A 98 258.454 278.987 248.002 1.00 0.00 C +ATOM 99 CA GLU A 99 260.653 276.898 245.697 1.00 0.00 C +ATOM 100 CA LYS A 100 262.275 275.749 242.446 1.00 0.00 C +ATOM 101 CA LYS A 101 263.173 276.517 238.824 1.00 0.00 C +ATOM 102 CA LYS A 102 264.705 279.908 238.007 1.00 0.00 C +ATOM 103 CA LYS A 103 266.733 279.304 234.839 1.00 0.00 C +ATOM 104 CA LYS A 104 270.041 280.410 233.307 1.00 0.00 C +ATOM 105 CA LYS A 105 270.031 280.536 229.499 1.00 0.00 C +ATOM 106 CA LYS A 106 268.787 279.427 226.072 1.00 0.00 C +ATOM 107 CA LYS A 107 267.802 281.329 222.921 1.00 0.00 C +ATOM 108 CA LYS A 108 264.213 281.042 221.675 1.00 0.00 C +ATOM 109 CA LYS A 109 260.466 281.196 221.003 1.00 0.00 C +TER 110 LYS A 109 +END diff --git a/Mammals/Q5BLW2/Q5BLW2.dcd b/Mammals/Q5BLW2/Q5BLW2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..fe752eff3c30a5e36fba0f7af8607828c1a85249 --- /dev/null +++ b/Mammals/Q5BLW2/Q5BLW2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c6691d44c0a12b00b34dc351b1fe06c8f852b6480d242ec6c6ae0051b5273827 +size 8840276 diff --git a/Mammals/Q5BLW2/top.pdb b/Mammals/Q5BLW2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a7ecc583bac55723e27cc4e3526e2ddb9b1cdb43 --- /dev/null +++ b/Mammals/Q5BLW2/top.pdb @@ -0,0 +1,71 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LEU A 1 264.167 257.614 293.543 1.00 0.00 C +ATOM 2 CA ARG A 2 263.005 257.256 297.153 1.00 0.00 C +ATOM 3 CA VAL A 3 261.440 258.257 300.480 1.00 0.00 C +ATOM 4 CA GLN A 4 261.150 261.743 301.991 1.00 0.00 C +ATOM 5 CA HIS A 5 261.212 264.711 299.603 1.00 0.00 C +ATOM 6 CA LYS A 6 262.206 265.615 296.038 1.00 0.00 C +ATOM 7 CA LYS A 7 261.809 268.946 294.233 1.00 0.00 C +ATOM 8 CA ASP A 8 258.995 271.509 294.068 1.00 0.00 C +ATOM 9 CA HIS A 9 259.239 273.945 291.148 1.00 0.00 C +ATOM 10 CA PRO A 10 257.068 273.487 288.051 1.00 0.00 C +ATOM 11 CA ASP A 11 254.872 274.470 285.097 1.00 0.00 C +ATOM 12 CA TYR A 12 254.630 271.957 282.243 1.00 0.00 C +ATOM 13 CA LYS A 13 256.244 272.074 278.794 1.00 0.00 C +ATOM 14 CA TYR A 14 257.116 270.151 275.623 1.00 0.00 C +ATOM 15 CA GLN A 15 259.261 271.970 273.052 1.00 0.00 C +ATOM 16 CA PRO A 16 260.321 275.521 272.167 1.00 0.00 C +ATOM 17 CA ARG A 17 260.908 276.572 268.552 1.00 0.00 C +ATOM 18 CA ARG A 18 259.027 274.181 266.259 1.00 0.00 C +ATOM 19 CA ARG A 19 258.869 270.403 266.719 1.00 0.00 C +ATOM 20 CA LYS A 20 257.237 266.966 266.523 1.00 0.00 C +ATOM 21 CA SER A 21 256.053 263.373 266.070 1.00 0.00 C +ATOM 22 CA VAL A 22 256.570 259.646 266.668 1.00 0.00 C +ATOM 23 CA LYS A 23 256.598 256.312 264.823 1.00 0.00 C +ATOM 24 CA ASN A 24 258.863 255.128 261.997 1.00 0.00 C +ATOM 25 CA GLY A 25 259.656 251.560 260.923 1.00 0.00 C +ATOM 26 CA GLN A 26 260.208 251.104 257.180 1.00 0.00 C +ATOM 27 CA ALA A 27 260.257 248.582 254.326 1.00 0.00 C +ATOM 28 CA GLU A 28 258.662 245.473 252.805 1.00 0.00 C +ATOM 29 CA ALA A 29 255.438 244.377 251.098 1.00 0.00 C +ATOM 30 CA GLU A 30 252.162 246.135 250.263 1.00 0.00 C +ATOM 31 CA GLU A 31 248.860 246.654 248.436 1.00 0.00 C +ATOM 32 CA ALA A 32 245.919 244.898 246.766 1.00 0.00 C +ATOM 33 CA THR A 33 247.155 241.421 245.819 1.00 0.00 C +ATOM 34 CA GLU A 34 247.831 238.096 244.086 1.00 0.00 C +ATOM 35 CA GLN A 35 246.925 237.307 240.470 1.00 0.00 C +ATOM 36 CA THR A 36 243.429 238.486 239.518 1.00 0.00 C +ATOM 37 CA HIS A 37 240.005 240.075 239.004 1.00 0.00 C +ATOM 38 CA ILE A 38 238.337 240.050 235.579 1.00 0.00 C +ATOM 39 CA SER A 39 235.157 241.537 234.098 1.00 0.00 C +ATOM 40 CA PRO A 40 232.075 243.244 232.647 1.00 0.00 C +ATOM 41 CA ASN A 41 229.728 246.223 233.017 1.00 0.00 C +ATOM 42 CA ALA A 42 228.416 247.914 236.169 1.00 0.00 C +ATOM 43 CA ILE A 43 224.726 247.026 236.503 1.00 0.00 C +ATOM 44 CA PHE A 44 223.704 243.432 235.760 1.00 0.00 C +ATOM 45 CA LYS A 45 221.035 241.224 234.173 1.00 0.00 C +ATOM 46 CA ALA A 46 222.193 238.126 232.280 1.00 0.00 C +ATOM 47 CA LEU A 47 224.115 237.267 229.104 1.00 0.00 C +ATOM 48 CA GLN A 48 227.825 237.767 228.398 1.00 0.00 C +ATOM 49 CA ALA A 49 230.890 239.037 226.525 1.00 0.00 C +ATOM 50 CA ASP A 50 233.644 241.463 225.502 1.00 0.00 C +ATOM 51 CA SER A 51 237.275 240.562 224.780 1.00 0.00 C +ATOM 52 CA PRO A 52 240.427 240.020 222.710 1.00 0.00 C +ATOM 53 CA HIS A 53 241.269 240.349 219.009 1.00 0.00 C +ATOM 54 CA SER A 54 244.262 242.191 217.539 1.00 0.00 C +ATOM 55 CA SER A 55 246.262 245.344 216.784 1.00 0.00 C +ATOM 56 CA SER A 56 249.038 245.623 219.379 1.00 0.00 C +ATOM 57 CA GLY A 57 252.787 244.946 219.377 1.00 0.00 C +ATOM 58 CA MET A 58 253.955 242.752 222.264 1.00 0.00 C +ATOM 59 CA SER A 59 253.307 239.760 224.533 1.00 0.00 C +ATOM 60 CA GLU A 60 251.795 236.270 224.301 1.00 0.00 C +ATOM 61 CA VAL A 61 254.412 233.785 223.078 1.00 0.00 C +ATOM 62 CA HIS A 62 254.886 230.127 222.125 1.00 0.00 C +ATOM 63 CA SER A 63 257.883 227.993 223.113 1.00 0.00 C +ATOM 64 CA PRO A 64 261.264 227.113 221.592 1.00 0.00 C +ATOM 65 CA GLY A 65 263.251 227.517 218.367 1.00 0.00 C +ATOM 66 CA LYS A 66 266.587 228.219 216.666 1.00 0.00 C +ATOM 67 CA GLN A 67 266.128 227.144 213.039 1.00 0.00 C +TER 68 GLN A 67 +END diff --git a/Mammals/Q5BTT3/Q5BTT3.dcd b/Mammals/Q5BTT3/Q5BTT3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..1010710c014be4accd7abfc996e138a4f035cbbd --- /dev/null +++ b/Mammals/Q5BTT3/Q5BTT3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ae991fbac1bd8aad07095296470dd3e9cbac3b0252faab83fae8058489f5b399 +size 5720276 diff --git a/Mammals/Q5BTT3/top.pdb b/Mammals/Q5BTT3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3b853d0b6b50486d985f05ed9863065cd5194483 --- /dev/null +++ b/Mammals/Q5BTT3/top.pdb @@ -0,0 +1,45 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA TYR A 1 280.683 252.189 240.434 1.00 0.00 C +ATOM 2 CA SER A 2 280.218 253.069 244.112 1.00 0.00 C +ATOM 3 CA PHE A 3 279.023 256.656 244.577 1.00 0.00 C +ATOM 4 CA PRO A 4 277.118 259.817 245.526 1.00 0.00 C +ATOM 5 CA GLY A 5 273.379 260.139 246.180 1.00 0.00 C +ATOM 6 CA ALA A 6 270.248 262.283 245.838 1.00 0.00 C +ATOM 7 CA SER A 7 266.817 263.889 245.433 1.00 0.00 C +ATOM 8 CA CYS A 8 264.459 262.359 248.006 1.00 0.00 C +ATOM 9 CA PRO A 9 264.131 260.955 251.532 1.00 0.00 C +ATOM 10 CA VAL A 10 262.348 257.667 252.255 1.00 0.00 C +ATOM 11 CA LEU A 11 260.159 257.677 255.374 1.00 0.00 C +ATOM 12 CA ASP A 12 259.866 257.216 259.144 1.00 0.00 C +ATOM 13 CA LEU A 13 258.798 253.947 260.784 1.00 0.00 C +ATOM 14 CA ARG A 14 255.478 252.262 259.978 1.00 0.00 C +ATOM 15 CA ARG A 15 255.071 248.801 258.437 1.00 0.00 C +ATOM 16 CA PRO A 16 255.189 245.845 260.838 1.00 0.00 C +ATOM 17 CA PRO A 17 253.526 244.920 264.139 1.00 0.00 C +ATOM 18 CA SER A 18 249.842 244.904 265.108 1.00 0.00 C +ATOM 19 CA ASP A 19 246.777 247.084 265.714 1.00 0.00 C +ATOM 20 CA LEU A 20 243.878 249.363 264.752 1.00 0.00 C +ATOM 21 CA TYR A 21 241.222 250.699 262.370 1.00 0.00 C +ATOM 22 CA LEU A 22 240.818 249.279 258.857 1.00 0.00 C +ATOM 23 CA PRO A 23 237.411 249.432 257.160 1.00 0.00 C +ATOM 24 CA PRO A 24 233.681 248.766 257.565 1.00 0.00 C +ATOM 25 CA PRO A 25 233.018 245.020 257.351 1.00 0.00 C +ATOM 26 CA ASP A 26 234.951 242.302 255.508 1.00 0.00 C +ATOM 27 CA HIS A 27 237.341 240.468 253.176 1.00 0.00 C +ATOM 28 CA GLY A 28 238.854 238.292 250.439 1.00 0.00 C +ATOM 29 CA ALA A 29 240.447 239.520 247.204 1.00 0.00 C +ATOM 30 CA PRO A 30 242.279 238.251 244.113 1.00 0.00 C +ATOM 31 CA ALA A 31 240.985 237.206 240.686 1.00 0.00 C +ATOM 32 CA ARG A 32 238.210 237.272 238.076 1.00 0.00 C +ATOM 33 CA GLY A 33 234.523 237.408 237.127 1.00 0.00 C +ATOM 34 CA SER A 34 232.603 240.546 236.134 1.00 0.00 C +ATOM 35 CA PRO A 35 233.977 243.676 237.817 1.00 0.00 C +ATOM 36 CA HIS A 36 236.065 246.244 235.930 1.00 0.00 C +ATOM 37 CA SER A 37 236.877 249.898 236.640 1.00 0.00 C +ATOM 38 CA GLU A 38 238.826 252.213 238.955 1.00 0.00 C +ATOM 39 CA GLY A 39 240.870 255.354 239.641 1.00 0.00 C +ATOM 40 CA GLY A 40 240.518 256.758 243.166 1.00 0.00 C +ATOM 41 CA LYS A 41 239.513 260.355 243.921 1.00 0.00 C +TER 42 LYS A 41 +END diff --git a/Mammals/Q5D863/Q5D863.dcd b/Mammals/Q5D863/Q5D863.dcd new file mode 100644 index 0000000000000000000000000000000000000000..9b00a7c0730dd2f5b249a9995736cc4126995d53 --- /dev/null +++ b/Mammals/Q5D863/Q5D863.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:84668176d588597b5ea6b4d0ec0582064581bbb20b8269e3e96b37156dbbf5be +size 18080276 diff --git a/Mammals/Q5D863/top.pdb b/Mammals/Q5D863/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b3bbbc43d81f5ef826069fe2216db3cf6c8631fc --- /dev/null +++ b/Mammals/Q5D863/top.pdb @@ -0,0 +1,148 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ASP A 1 272.520 264.904 284.868 1.00 0.00 C +ATOM 2 CA ASN A 2 269.181 263.072 284.984 1.00 0.00 C +ATOM 3 CA SER A 3 266.939 263.178 281.905 1.00 0.00 C +ATOM 4 CA GLY A 4 266.563 260.845 278.917 1.00 0.00 C +ATOM 5 CA SER A 5 264.776 257.504 278.521 1.00 0.00 C +ATOM 6 CA GLU A 6 262.926 256.715 275.285 1.00 0.00 C +ATOM 7 CA GLY A 7 260.558 253.901 274.286 1.00 0.00 C +ATOM 8 CA SER A 8 257.336 253.275 272.352 1.00 0.00 C +ATOM 9 CA PRO A 9 255.415 256.565 272.364 1.00 0.00 C +ATOM 10 CA ALA A 10 253.668 258.550 269.622 1.00 0.00 C +ATOM 11 CA ALA A 11 249.887 258.941 269.362 1.00 0.00 C +ATOM 12 CA THR A 12 248.174 256.166 267.391 1.00 0.00 C +ATOM 13 CA PRO A 13 249.977 252.833 266.993 1.00 0.00 C +ATOM 14 CA ALA A 14 249.497 249.065 266.696 1.00 0.00 C +ATOM 15 CA LEU A 15 248.702 245.393 266.065 1.00 0.00 C +ATOM 16 CA PHE A 16 247.952 241.996 267.620 1.00 0.00 C +ATOM 17 CA THR A 17 249.461 238.504 267.815 1.00 0.00 C +ATOM 18 CA GLY A 18 249.409 236.441 264.612 1.00 0.00 C +ATOM 19 CA SER A 19 248.169 235.283 261.201 1.00 0.00 C +ATOM 20 CA SER A 20 244.745 233.664 261.623 1.00 0.00 C +ATOM 21 CA PRO A 21 241.514 234.757 263.320 1.00 0.00 C +ATOM 22 CA ARG A 22 240.833 233.403 266.816 1.00 0.00 C +ATOM 23 CA GLU A 23 243.863 233.765 269.097 1.00 0.00 C +ATOM 24 CA THR A 24 247.573 232.899 269.164 1.00 0.00 C +ATOM 25 CA PRO A 25 251.266 232.667 270.071 1.00 0.00 C +ATOM 26 CA SER A 26 254.780 234.115 269.806 1.00 0.00 C +ATOM 27 CA HIS A 27 255.905 237.716 269.275 1.00 0.00 C +ATOM 28 CA PRO A 28 256.611 241.421 268.733 1.00 0.00 C +ATOM 29 CA THR A 29 257.602 243.183 265.504 1.00 0.00 C +ATOM 30 CA ALA A 30 255.735 245.355 262.991 1.00 0.00 C +ATOM 31 CA GLY A 31 255.583 247.379 259.767 1.00 0.00 C +ATOM 32 CA VAL A 32 257.139 245.658 256.745 1.00 0.00 C +ATOM 33 CA LEU A 33 257.216 242.240 255.064 1.00 0.00 C +ATOM 34 CA SER A 34 254.565 240.226 256.916 1.00 0.00 C +ATOM 35 CA PRO A 35 251.074 240.629 258.390 1.00 0.00 C +ATOM 36 CA GLY A 36 248.054 241.403 256.200 1.00 0.00 C +ATOM 37 CA SER A 37 245.170 239.343 257.600 1.00 0.00 C +ATOM 38 CA PRO A 38 243.907 240.885 260.847 1.00 0.00 C +ATOM 39 CA PRO A 39 242.289 244.246 260.075 1.00 0.00 C +ATOM 40 CA ARG A 40 242.634 247.426 262.146 1.00 0.00 C +ATOM 41 CA GLU A 41 241.114 247.411 265.639 1.00 0.00 C +ATOM 42 CA THR A 42 242.641 245.604 268.625 1.00 0.00 C +ATOM 43 CA PRO A 43 244.240 244.933 272.018 1.00 0.00 C +ATOM 44 CA SER A 44 246.447 243.395 274.716 1.00 0.00 C +ATOM 45 CA HIS A 45 247.221 240.969 277.549 1.00 0.00 C +ATOM 46 CA PRO A 46 249.052 239.002 280.250 1.00 0.00 C +ATOM 47 CA THR A 47 247.514 238.797 283.730 1.00 0.00 C +ATOM 48 CA ALA A 48 244.932 241.594 283.891 1.00 0.00 C +ATOM 49 CA SER A 49 241.962 242.821 281.843 1.00 0.00 C +ATOM 50 CA VAL A 50 238.527 242.053 280.386 1.00 0.00 C +ATOM 51 CA LEU A 51 237.455 241.870 276.735 1.00 0.00 C +ATOM 52 CA SER A 52 239.236 239.668 274.186 1.00 0.00 C +ATOM 53 CA THR A 53 238.427 236.094 273.143 1.00 0.00 C +ATOM 54 CA GLY A 54 236.434 234.394 275.910 1.00 0.00 C +ATOM 55 CA SER A 55 234.851 234.928 279.334 1.00 0.00 C +ATOM 56 CA PRO A 56 235.011 231.562 281.111 1.00 0.00 C +ATOM 57 CA PRO A 57 236.354 228.170 282.211 1.00 0.00 C +ATOM 58 CA ARG A 58 236.183 225.586 279.417 1.00 0.00 C +ATOM 59 CA GLU A 59 238.657 225.110 276.558 1.00 0.00 C +ATOM 60 CA ALA A 60 240.369 223.936 273.363 1.00 0.00 C +ATOM 61 CA PRO A 61 239.430 225.185 269.888 1.00 0.00 C +ATOM 62 CA SER A 62 237.753 228.490 269.008 1.00 0.00 C +ATOM 63 CA HIS A 63 234.369 230.204 268.644 1.00 0.00 C +ATOM 64 CA PRO A 64 234.904 233.975 268.730 1.00 0.00 C +ATOM 65 CA SER A 65 233.940 237.169 266.890 1.00 0.00 C +ATOM 66 CA ALA A 66 232.702 240.741 267.360 1.00 0.00 C +ATOM 67 CA SER A 67 230.314 243.706 267.494 1.00 0.00 C +ATOM 68 CA GLU A 68 229.634 246.751 265.307 1.00 0.00 C +ATOM 69 CA LEU A 69 226.860 246.870 262.699 1.00 0.00 C +ATOM 70 CA SER A 70 225.427 247.980 259.347 1.00 0.00 C +ATOM 71 CA PRO A 71 225.477 245.899 256.156 1.00 0.00 C +ATOM 72 CA GLY A 72 228.819 244.619 254.849 1.00 0.00 C +ATOM 73 CA SER A 73 231.859 246.916 254.863 1.00 0.00 C +ATOM 74 CA PRO A 74 234.310 249.153 252.990 1.00 0.00 C +ATOM 75 CA PRO A 75 237.295 247.649 251.162 1.00 0.00 C +ATOM 76 CA ARG A 76 238.091 244.345 252.885 1.00 0.00 C +ATOM 77 CA GLU A 77 241.809 243.680 253.383 1.00 0.00 C +ATOM 78 CA THR A 78 243.436 241.263 250.929 1.00 0.00 C +ATOM 79 CA PRO A 79 246.997 240.906 249.621 1.00 0.00 C +ATOM 80 CA SER A 80 249.237 242.012 246.744 1.00 0.00 C +ATOM 81 CA ARG A 81 252.168 239.635 246.221 1.00 0.00 C +ATOM 82 CA PRO A 82 255.836 238.821 246.854 1.00 0.00 C +ATOM 83 CA THR A 83 258.650 241.216 247.781 1.00 0.00 C +ATOM 84 CA ALA A 84 260.348 244.627 247.738 1.00 0.00 C +ATOM 85 CA SER A 85 259.985 248.283 246.728 1.00 0.00 C +ATOM 86 CA VAL A 86 262.038 249.592 243.798 1.00 0.00 C +ATOM 87 CA LEU A 87 265.819 249.382 243.382 1.00 0.00 C +ATOM 88 CA SER A 88 268.616 247.604 245.262 1.00 0.00 C +ATOM 89 CA MET A 89 271.984 249.383 245.146 1.00 0.00 C +ATOM 90 CA GLY A 90 271.527 252.912 243.785 1.00 0.00 C +ATOM 91 CA SER A 91 270.435 255.469 246.390 1.00 0.00 C +ATOM 92 CA LEU A 92 268.459 258.621 245.566 1.00 0.00 C +ATOM 93 CA PRO A 93 264.879 259.873 245.928 1.00 0.00 C +ATOM 94 CA ARG A 94 261.379 259.975 244.425 1.00 0.00 C +ATOM 95 CA GLU A 95 258.591 257.488 243.677 1.00 0.00 C +ATOM 96 CA THR A 96 255.427 256.760 245.671 1.00 0.00 C +ATOM 97 CA THR A 97 253.615 254.095 243.638 1.00 0.00 C +ATOM 98 CA SER A 98 250.752 251.582 243.675 1.00 0.00 C +ATOM 99 CA HIS A 99 251.288 248.237 245.418 1.00 0.00 C +ATOM 100 CA PRO A 100 252.090 247.447 249.058 1.00 0.00 C +ATOM 101 CA THR A 101 251.763 248.250 252.768 1.00 0.00 C +ATOM 102 CA ALA A 102 248.807 248.225 255.171 1.00 0.00 C +ATOM 103 CA SER A 103 245.488 249.025 253.479 1.00 0.00 C +ATOM 104 CA MET A 104 244.544 252.684 252.990 1.00 0.00 C +ATOM 105 CA LEU A 105 242.773 255.815 251.735 1.00 0.00 C +ATOM 106 CA SER A 106 242.740 256.518 247.991 1.00 0.00 C +ATOM 107 CA PRO A 107 242.565 255.333 244.374 1.00 0.00 C +ATOM 108 CA GLY A 108 242.994 255.851 240.624 1.00 0.00 C +ATOM 109 CA SER A 109 245.121 258.694 239.242 1.00 0.00 C +ATOM 110 CA ALA A 110 248.836 258.063 239.805 1.00 0.00 C +ATOM 111 CA PRO A 111 251.756 256.222 238.192 1.00 0.00 C +ATOM 112 CA ARG A 112 252.164 257.746 234.724 1.00 0.00 C +ATOM 113 CA GLU A 113 255.507 258.210 232.956 1.00 0.00 C +ATOM 114 CA THR A 114 257.616 258.259 229.784 1.00 0.00 C +ATOM 115 CA PRO A 115 257.546 254.936 227.921 1.00 0.00 C +ATOM 116 CA SER A 116 258.087 252.144 225.385 1.00 0.00 C +ATOM 117 CA HIS A 117 255.225 251.087 223.104 1.00 0.00 C +ATOM 118 CA PRO A 118 253.771 250.441 219.642 1.00 0.00 C +ATOM 119 CA THR A 119 255.390 249.056 216.483 1.00 0.00 C +ATOM 120 CA ALA A 120 256.460 251.310 213.603 1.00 0.00 C +ATOM 121 CA SER A 121 253.917 252.198 210.909 1.00 0.00 C +ATOM 122 CA ILE A 122 253.117 255.910 210.604 1.00 0.00 C +ATOM 123 CA LEU A 123 254.920 258.548 208.528 1.00 0.00 C +ATOM 124 CA SER A 124 257.248 259.180 205.579 1.00 0.00 C +ATOM 125 CA PRO A 125 257.195 262.712 204.150 1.00 0.00 C +ATOM 126 CA GLU A 126 255.362 265.375 206.166 1.00 0.00 C +ATOM 127 CA SER A 127 252.164 266.267 204.297 1.00 0.00 C +ATOM 128 CA PRO A 128 251.300 269.953 203.868 1.00 0.00 C +ATOM 129 CA PRO A 129 247.606 270.742 203.372 1.00 0.00 C +ATOM 130 CA ARG A 130 246.303 274.150 204.469 1.00 0.00 C +ATOM 131 CA GLU A 131 248.965 275.441 206.870 1.00 0.00 C +ATOM 132 CA THR A 132 248.521 276.184 210.580 1.00 0.00 C +ATOM 133 CA PRO A 133 250.754 276.358 213.663 1.00 0.00 C +ATOM 134 CA SER A 134 254.467 276.451 212.814 1.00 0.00 C +ATOM 135 CA GLY A 135 255.315 273.783 210.230 1.00 0.00 C +ATOM 136 CA THR A 136 256.205 275.096 206.766 1.00 0.00 C +ATOM 137 CA GLY A 137 255.800 275.397 202.990 1.00 0.00 C +ATOM 138 CA SER A 138 256.933 278.914 202.060 1.00 0.00 C +ATOM 139 CA ALA A 139 260.009 280.661 203.475 1.00 0.00 C +ATOM 140 CA ALA A 140 263.649 281.440 202.663 1.00 0.00 C +ATOM 141 CA SER A 141 265.472 278.927 200.455 1.00 0.00 C +ATOM 142 CA GLY A 142 264.884 275.637 198.625 1.00 0.00 C +ATOM 143 CA SER A 143 263.580 272.191 197.655 1.00 0.00 C +ATOM 144 CA SER A 144 264.818 268.695 198.524 1.00 0.00 C +TER 145 SER A 144 +END diff --git a/Mammals/Q5D864/Q5D864.dcd b/Mammals/Q5D864/Q5D864.dcd new file mode 100644 index 0000000000000000000000000000000000000000..5364ffaf2cee93237c4e36c4716b291b96c9bb6a --- /dev/null +++ b/Mammals/Q5D864/Q5D864.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4ed9cac17656b2ce86bb3bc4e68888a8c997c1289b88f3e237c274e431edc238 +size 9440276 diff --git a/Mammals/Q5D864/top.pdb b/Mammals/Q5D864/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f22d48f7a0401b4ff81472721a704fb8dff353a3 --- /dev/null +++ b/Mammals/Q5D864/top.pdb @@ -0,0 +1,76 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLY A 1 229.936 274.087 263.109 1.00 0.00 C +ATOM 2 CA ASN A 2 230.235 275.208 266.738 1.00 0.00 C +ATOM 3 CA SER A 3 232.144 278.269 267.966 1.00 0.00 C +ATOM 4 CA GLY A 4 235.889 278.722 268.499 1.00 0.00 C +ATOM 5 CA SER A 5 238.366 276.127 269.785 1.00 0.00 C +ATOM 6 CA GLU A 6 241.721 275.582 268.065 1.00 0.00 C +ATOM 7 CA SER A 7 242.939 274.458 264.634 1.00 0.00 C +ATOM 8 CA SER A 8 241.004 272.572 261.948 1.00 0.00 C +ATOM 9 CA PRO A 9 242.264 270.291 259.168 1.00 0.00 C +ATOM 10 CA ALA A 10 245.966 269.484 258.772 1.00 0.00 C +ATOM 11 CA THR A 11 246.704 266.683 261.247 1.00 0.00 C +ATOM 12 CA THR A 12 243.894 264.243 262.063 1.00 0.00 C +ATOM 13 CA GLY A 13 241.717 262.578 264.710 1.00 0.00 C +ATOM 14 CA ALA A 14 239.515 261.267 267.529 1.00 0.00 C +ATOM 15 CA LEU A 15 238.158 257.934 268.780 1.00 0.00 C +ATOM 16 CA SER A 16 239.430 254.676 270.291 1.00 0.00 C +ATOM 17 CA THR A 17 241.077 251.942 268.209 1.00 0.00 C +ATOM 18 CA GLY A 18 241.803 248.267 267.514 1.00 0.00 C +ATOM 19 CA SER A 19 243.536 245.124 266.235 1.00 0.00 C +ATOM 20 CA PRO A 20 247.080 243.771 266.593 1.00 0.00 C +ATOM 21 CA PRO A 21 249.697 243.290 269.319 1.00 0.00 C +ATOM 22 CA ARG A 22 251.494 240.281 270.814 1.00 0.00 C +ATOM 23 CA GLU A 23 253.152 237.787 268.458 1.00 0.00 C +ATOM 24 CA ASN A 24 253.041 234.017 268.998 1.00 0.00 C +ATOM 25 CA PRO A 25 253.734 230.525 267.640 1.00 0.00 C +ATOM 26 CA SER A 26 252.344 229.598 264.216 1.00 0.00 C +ATOM 27 CA HIS A 27 251.999 226.567 261.933 1.00 0.00 C +ATOM 28 CA PRO A 28 254.556 224.645 259.864 1.00 0.00 C +ATOM 29 CA THR A 29 256.930 221.835 260.857 1.00 0.00 C +ATOM 30 CA ALA A 30 259.890 221.309 258.517 1.00 0.00 C +ATOM 31 CA SER A 31 260.525 222.512 254.958 1.00 0.00 C +ATOM 32 CA THR A 32 259.190 225.593 253.158 1.00 0.00 C +ATOM 33 CA LEU A 33 259.335 228.210 250.393 1.00 0.00 C +ATOM 34 CA SER A 34 260.681 231.465 251.845 1.00 0.00 C +ATOM 35 CA MET A 35 258.035 233.333 253.851 1.00 0.00 C +ATOM 36 CA GLY A 36 254.395 234.275 254.467 1.00 0.00 C +ATOM 37 CA SER A 37 251.081 233.269 256.055 1.00 0.00 C +ATOM 38 CA PRO A 38 250.294 235.121 259.290 1.00 0.00 C +ATOM 39 CA PRO A 39 253.310 235.991 261.449 1.00 0.00 C +ATOM 40 CA SER A 40 256.502 237.561 260.084 1.00 0.00 C +ATOM 41 CA GLY A 41 257.492 241.234 259.861 1.00 0.00 C +ATOM 42 CA THR A 42 257.846 243.106 256.561 1.00 0.00 C +ATOM 43 CA PRO A 43 255.583 241.891 253.747 1.00 0.00 C +ATOM 44 CA SER A 44 257.312 241.318 250.401 1.00 0.00 C +ATOM 45 CA HIS A 45 260.341 239.820 248.641 1.00 0.00 C +ATOM 46 CA PRO A 46 262.102 241.104 245.515 1.00 0.00 C +ATOM 47 CA THR A 47 260.444 240.362 242.166 1.00 0.00 C +ATOM 48 CA ALA A 48 262.541 241.296 239.125 1.00 0.00 C +ATOM 49 CA SER A 49 261.064 244.028 236.918 1.00 0.00 C +ATOM 50 CA VAL A 50 261.570 247.230 238.919 1.00 0.00 C +ATOM 51 CA LEU A 51 264.514 249.462 239.851 1.00 0.00 C +ATOM 52 CA SER A 52 263.469 252.364 242.088 1.00 0.00 C +ATOM 53 CA THR A 53 263.033 255.793 240.486 1.00 0.00 C +ATOM 54 CA GLY A 54 261.316 256.675 237.200 1.00 0.00 C +ATOM 55 CA SER A 55 259.194 253.776 235.931 1.00 0.00 C +ATOM 56 CA PRO A 56 258.263 252.927 232.335 1.00 0.00 C +ATOM 57 CA PRO A 57 257.994 256.037 230.152 1.00 0.00 C +ATOM 58 CA SER A 58 254.387 257.233 229.876 1.00 0.00 C +ATOM 59 CA GLU A 59 252.002 259.546 228.011 1.00 0.00 C +ATOM 60 CA SER A 60 248.324 258.560 228.157 1.00 0.00 C +ATOM 61 CA PRO A 61 245.648 255.980 228.991 1.00 0.00 C +ATOM 62 CA SER A 62 241.893 256.575 228.733 1.00 0.00 C +ATOM 63 CA GLY A 63 238.289 255.754 227.810 1.00 0.00 C +ATOM 64 CA THR A 64 237.422 255.083 224.161 1.00 0.00 C +ATOM 65 CA GLY A 65 237.274 254.083 220.488 1.00 0.00 C +ATOM 66 CA SER A 66 240.783 254.702 219.141 1.00 0.00 C +ATOM 67 CA ALA A 67 241.782 258.217 218.063 1.00 0.00 C +ATOM 68 CA ALA A 68 241.238 260.624 220.967 1.00 0.00 C +ATOM 69 CA SER A 69 244.101 263.120 221.257 1.00 0.00 C +ATOM 70 CA GLY A 70 247.191 263.262 219.032 1.00 0.00 C +ATOM 71 CA SER A 71 250.096 261.052 220.124 1.00 0.00 C +ATOM 72 CA SER A 72 251.926 259.317 217.267 1.00 0.00 C +TER 73 SER A 72 +END diff --git a/Mammals/Q5D865/Q5D865.dcd b/Mammals/Q5D865/Q5D865.dcd new file mode 100644 index 0000000000000000000000000000000000000000..4dc0901ea6a27c5c6a85e3c0d6ccdff3d77653fa --- /dev/null +++ b/Mammals/Q5D865/Q5D865.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6ed83021520d84433d87ecd8b9c995e11eb9ded9c1ab61a7094a8aaf45fe808e +size 10520276 diff --git a/Mammals/Q5D865/top.pdb b/Mammals/Q5D865/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..db218dcac237d0867a623808a8e33a4ac34e030a --- /dev/null +++ b/Mammals/Q5D865/top.pdb @@ -0,0 +1,85 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ASN A 1 220.004 241.617 238.677 1.00 0.00 C +ATOM 2 CA GLY A 2 222.941 241.546 236.251 1.00 0.00 C +ATOM 3 CA SER A 3 223.737 240.468 232.684 1.00 0.00 C +ATOM 4 CA GLU A 4 223.952 236.686 232.269 1.00 0.00 C +ATOM 5 CA SER A 5 224.795 233.022 231.658 1.00 0.00 C +ATOM 6 CA SER A 6 225.823 229.451 230.814 1.00 0.00 C +ATOM 7 CA PRO A 7 225.116 226.641 228.339 1.00 0.00 C +ATOM 8 CA ALA A 8 224.820 222.944 227.470 1.00 0.00 C +ATOM 9 CA THR A 9 223.232 220.125 225.458 1.00 0.00 C +ATOM 10 CA THR A 10 224.071 218.974 221.924 1.00 0.00 C +ATOM 11 CA GLY A 11 223.132 216.207 219.479 1.00 0.00 C +ATOM 12 CA ALA A 12 223.004 212.891 221.350 1.00 0.00 C +ATOM 13 CA LEU A 13 226.448 211.262 221.404 1.00 0.00 C +ATOM 14 CA SER A 14 230.021 212.095 222.431 1.00 0.00 C +ATOM 15 CA THR A 15 232.741 213.640 224.607 1.00 0.00 C +ATOM 16 CA GLY A 16 236.005 215.262 223.497 1.00 0.00 C +ATOM 17 CA SER A 17 238.668 216.158 226.071 1.00 0.00 C +ATOM 18 CA PRO A 18 240.568 219.398 225.435 1.00 0.00 C +ATOM 19 CA PRO A 19 238.936 222.384 223.720 1.00 0.00 C +ATOM 20 CA ARG A 20 238.134 225.922 222.556 1.00 0.00 C +ATOM 21 CA GLU A 21 240.606 228.812 222.785 1.00 0.00 C +ATOM 22 CA ASN A 22 242.481 231.999 223.702 1.00 0.00 C +ATOM 23 CA PRO A 23 239.958 234.813 224.184 1.00 0.00 C +ATOM 24 CA SER A 24 236.929 235.787 226.280 1.00 0.00 C +ATOM 25 CA HIS A 25 236.978 235.894 230.088 1.00 0.00 C +ATOM 26 CA PRO A 26 236.395 235.443 233.826 1.00 0.00 C +ATOM 27 CA THR A 27 239.354 235.600 236.221 1.00 0.00 C +ATOM 28 CA ALA A 28 240.189 232.960 238.838 1.00 0.00 C +ATOM 29 CA SER A 29 238.432 233.629 242.152 1.00 0.00 C +ATOM 30 CA THR A 30 240.728 235.797 244.283 1.00 0.00 C +ATOM 31 CA LEU A 31 243.374 235.400 246.995 1.00 0.00 C +ATOM 32 CA SER A 32 246.565 233.502 246.137 1.00 0.00 C +ATOM 33 CA THR A 33 247.775 234.056 242.567 1.00 0.00 C +ATOM 34 CA GLY A 34 248.552 237.654 241.582 1.00 0.00 C +ATOM 35 CA SER A 35 250.482 238.628 238.445 1.00 0.00 C +ATOM 36 CA HIS A 36 253.337 240.890 239.563 1.00 0.00 C +ATOM 37 CA PRO A 37 255.207 243.641 241.420 1.00 0.00 C +ATOM 38 CA ALA A 38 257.922 246.031 240.223 1.00 0.00 C +ATOM 39 CA GLU A 39 259.625 249.283 239.202 1.00 0.00 C +ATOM 40 CA ASN A 40 262.109 249.969 242.008 1.00 0.00 C +ATOM 41 CA PRO A 41 264.281 247.742 244.208 1.00 0.00 C +ATOM 42 CA SER A 42 263.797 244.151 245.385 1.00 0.00 C +ATOM 43 CA HIS A 43 264.532 242.871 248.898 1.00 0.00 C +ATOM 44 CA PRO A 44 263.339 244.382 252.186 1.00 0.00 C +ATOM 45 CA THR A 45 263.330 246.967 254.985 1.00 0.00 C +ATOM 46 CA ALA A 46 265.997 246.957 257.706 1.00 0.00 C +ATOM 47 CA SER A 47 267.966 250.218 257.723 1.00 0.00 C +ATOM 48 CA THR A 48 266.578 253.754 257.423 1.00 0.00 C +ATOM 49 CA LEU A 49 264.869 256.043 254.901 1.00 0.00 C +ATOM 50 CA SER A 50 261.544 257.756 255.623 1.00 0.00 C +ATOM 51 CA MET A 51 259.845 259.351 258.637 1.00 0.00 C +ATOM 52 CA GLY A 52 259.998 262.264 261.089 1.00 0.00 C +ATOM 53 CA SER A 53 258.309 265.023 263.101 1.00 0.00 C +ATOM 54 CA PRO A 54 256.500 268.051 264.541 1.00 0.00 C +ATOM 55 CA PRO A 55 255.054 271.563 264.845 1.00 0.00 C +ATOM 56 CA SER A 56 251.936 272.184 266.944 1.00 0.00 C +ATOM 57 CA GLY A 57 250.864 275.763 266.196 1.00 0.00 C +ATOM 58 CA THR A 58 251.040 279.565 266.030 1.00 0.00 C +ATOM 59 CA PRO A 59 254.281 281.553 266.271 1.00 0.00 C +ATOM 60 CA SER A 60 257.836 282.588 267.171 1.00 0.00 C +ATOM 61 CA HIS A 61 259.535 284.101 264.116 1.00 0.00 C +ATOM 62 CA PRO A 62 262.928 285.830 264.000 1.00 0.00 C +ATOM 63 CA THR A 63 265.123 288.347 265.835 1.00 0.00 C +ATOM 64 CA ALA A 64 267.337 290.598 267.966 1.00 0.00 C +ATOM 65 CA SER A 65 268.704 288.856 271.066 1.00 0.00 C +ATOM 66 CA VAL A 66 266.987 286.890 273.841 1.00 0.00 C +ATOM 67 CA LEU A 67 268.178 284.832 276.818 1.00 0.00 C +ATOM 68 CA SER A 68 269.509 285.799 280.254 1.00 0.00 C +ATOM 69 CA THR A 69 272.195 283.605 281.832 1.00 0.00 C +ATOM 70 CA GLY A 70 270.895 280.737 283.977 1.00 0.00 C +ATOM 71 CA SER A 71 270.055 277.350 282.449 1.00 0.00 C +ATOM 72 CA PRO A 72 267.503 277.440 279.622 1.00 0.00 C +ATOM 73 CA PRO A 73 267.813 276.417 275.965 1.00 0.00 C +ATOM 74 CA CYS A 74 265.643 274.421 273.552 1.00 0.00 C +ATOM 75 CA GLU A 75 263.391 271.475 274.427 1.00 0.00 C +ATOM 76 CA SER A 76 261.029 268.486 274.464 1.00 0.00 C +ATOM 77 CA PRO A 77 261.341 265.265 276.475 1.00 0.00 C +ATOM 78 CA SER A 78 260.027 263.735 279.708 1.00 0.00 C +ATOM 79 CA ARG A 79 257.747 263.202 282.714 1.00 0.00 C +ATOM 80 CA THR A 80 259.404 260.573 284.919 1.00 0.00 C +ATOM 81 CA GLY A 81 259.618 256.820 285.540 1.00 0.00 C +TER 82 GLY A 81 +END diff --git a/Mammals/Q5D866/Q5D866.dcd b/Mammals/Q5D866/Q5D866.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e8f00c0da8c6ca403c9f73af6d89585a294379c9 --- /dev/null +++ b/Mammals/Q5D866/Q5D866.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:da96dff533c6e47bae6182650ca9528dd4f4a2a7e0136306d731fd288f2686e5 +size 10760276 diff --git a/Mammals/Q5D866/top.pdb b/Mammals/Q5D866/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..786a04a3a433d010b0191094bc0b14af1b900eab --- /dev/null +++ b/Mammals/Q5D866/top.pdb @@ -0,0 +1,87 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ARG A 1 279.996 210.846 252.332 1.00 0.00 C +ATOM 2 CA HIS A 2 281.504 214.081 251.000 1.00 0.00 C +ATOM 3 CA ASN A 3 279.857 217.025 252.771 1.00 0.00 C +ATOM 4 CA GLY A 4 277.296 219.822 253.139 1.00 0.00 C +ATOM 5 CA SER A 5 275.171 219.897 256.301 1.00 0.00 C +ATOM 6 CA GLU A 6 272.144 217.929 257.518 1.00 0.00 C +ATOM 7 CA SER A 7 270.995 216.215 260.720 1.00 0.00 C +ATOM 8 CA SER A 8 271.471 218.495 263.735 1.00 0.00 C +ATOM 9 CA PRO A 9 273.441 221.697 263.112 1.00 0.00 C +ATOM 10 CA ALA A 10 272.946 225.232 261.781 1.00 0.00 C +ATOM 11 CA THR A 11 274.456 228.243 260.000 1.00 0.00 C +ATOM 12 CA THR A 12 276.800 230.668 258.229 1.00 0.00 C +ATOM 13 CA GLY A 13 275.459 230.998 254.678 1.00 0.00 C +ATOM 14 CA ALA A 14 273.567 234.303 254.571 1.00 0.00 C +ATOM 15 CA LEU A 15 275.466 237.552 255.170 1.00 0.00 C +ATOM 16 CA SER A 16 274.245 240.918 253.868 1.00 0.00 C +ATOM 17 CA THR A 17 273.252 241.040 250.192 1.00 0.00 C +ATOM 18 CA GLY A 18 270.485 242.439 247.978 1.00 0.00 C +ATOM 19 CA SER A 19 270.205 244.521 244.800 1.00 0.00 C +ATOM 20 CA PRO A 20 266.943 246.463 245.115 1.00 0.00 C +ATOM 21 CA PRO A 21 265.177 249.391 243.434 1.00 0.00 C +ATOM 22 CA ARG A 22 262.754 252.003 242.085 1.00 0.00 C +ATOM 23 CA GLU A 23 261.995 254.904 239.734 1.00 0.00 C +ATOM 24 CA ASN A 24 264.805 257.459 239.431 1.00 0.00 C +ATOM 25 CA PRO A 25 268.054 258.388 237.670 1.00 0.00 C +ATOM 26 CA SER A 26 268.899 257.111 234.181 1.00 0.00 C +ATOM 27 CA HIS A 27 269.918 255.654 230.812 1.00 0.00 C +ATOM 28 CA PRO A 28 271.710 253.913 227.935 1.00 0.00 C +ATOM 29 CA THR A 29 270.715 255.438 224.588 1.00 0.00 C +ATOM 30 CA ALA A 30 267.917 257.997 224.952 1.00 0.00 C +ATOM 31 CA SER A 31 264.644 258.608 226.804 1.00 0.00 C +ATOM 32 CA ALA A 32 262.663 255.602 228.054 1.00 0.00 C +ATOM 33 CA LEU A 33 259.725 254.803 230.345 1.00 0.00 C +ATOM 34 CA SER A 34 256.349 256.083 229.128 1.00 0.00 C +ATOM 35 CA THR A 35 253.218 258.094 229.945 1.00 0.00 C +ATOM 36 CA GLY A 36 250.378 260.631 230.062 1.00 0.00 C +ATOM 37 CA SER A 37 250.832 264.306 230.961 1.00 0.00 C +ATOM 38 CA PRO A 38 249.180 266.498 233.604 1.00 0.00 C +ATOM 39 CA PRO A 39 249.575 269.458 235.969 1.00 0.00 C +ATOM 40 CA MET A 40 248.867 268.804 239.655 1.00 0.00 C +ATOM 41 CA GLU A 41 248.011 268.448 243.351 1.00 0.00 C +ATOM 42 CA ASN A 42 247.341 265.982 246.177 1.00 0.00 C +ATOM 43 CA PRO A 43 247.393 267.600 249.626 1.00 0.00 C +ATOM 44 CA SER A 44 247.417 264.940 252.354 1.00 0.00 C +ATOM 45 CA HIS A 45 245.771 265.740 255.696 1.00 0.00 C +ATOM 46 CA PRO A 46 246.918 267.663 258.778 1.00 0.00 C +ATOM 47 CA THR A 47 244.963 267.230 262.020 1.00 0.00 C +ATOM 48 CA ALA A 48 244.307 266.055 265.584 1.00 0.00 C +ATOM 49 CA SER A 49 242.065 262.975 265.554 1.00 0.00 C +ATOM 50 CA THR A 50 238.288 263.469 265.462 1.00 0.00 C +ATOM 51 CA LEU A 51 235.618 261.140 264.060 1.00 0.00 C +ATOM 52 CA SER A 52 233.641 258.133 265.310 1.00 0.00 C +ATOM 53 CA MET A 53 232.438 254.647 264.351 1.00 0.00 C +ATOM 54 CA GLY A 54 233.101 253.764 260.705 1.00 0.00 C +ATOM 55 CA LEU A 55 232.085 251.452 257.852 1.00 0.00 C +ATOM 56 CA PRO A 56 234.320 250.528 254.908 1.00 0.00 C +ATOM 57 CA PRO A 57 237.396 249.581 252.869 1.00 0.00 C +ATOM 58 CA SER A 58 236.197 248.691 249.364 1.00 0.00 C +ATOM 59 CA GLY A 59 233.336 247.373 247.222 1.00 0.00 C +ATOM 60 CA THR A 60 230.508 244.821 247.311 1.00 0.00 C +ATOM 61 CA VAL A 61 228.156 242.165 248.699 1.00 0.00 C +ATOM 62 CA LEU A 62 224.499 241.650 249.639 1.00 0.00 C +ATOM 63 CA SER A 63 221.686 243.966 248.527 1.00 0.00 C +ATOM 64 CA THR A 64 220.904 247.680 248.864 1.00 0.00 C +ATOM 65 CA GLY A 65 220.392 248.615 252.522 1.00 0.00 C +ATOM 66 CA SER A 66 219.385 246.345 255.411 1.00 0.00 C +ATOM 67 CA PRO A 67 217.226 245.840 258.509 1.00 0.00 C +ATOM 68 CA PRO A 68 217.186 248.047 261.615 1.00 0.00 C +ATOM 69 CA SER A 69 216.854 251.824 261.241 1.00 0.00 C +ATOM 70 CA GLU A 70 218.333 255.334 261.291 1.00 0.00 C +ATOM 71 CA SER A 71 222.057 255.999 261.743 1.00 0.00 C +ATOM 72 CA PRO A 72 223.986 257.300 258.726 1.00 0.00 C +ATOM 73 CA SER A 73 227.653 256.849 259.657 1.00 0.00 C +ATOM 74 CA ARG A 74 229.619 260.105 259.870 1.00 0.00 C +ATOM 75 CA THR A 75 230.134 262.915 257.349 1.00 0.00 C +ATOM 76 CA GLY A 76 232.625 265.664 256.479 1.00 0.00 C +ATOM 77 CA SER A 77 235.066 265.678 253.554 1.00 0.00 C +ATOM 78 CA ALA A 78 238.740 264.670 253.592 1.00 0.00 C +ATOM 79 CA ALA A 79 239.238 260.924 253.110 1.00 0.00 C +ATOM 80 CA SER A 80 242.148 258.622 253.977 1.00 0.00 C +ATOM 81 CA ALA A 81 245.005 256.337 252.913 1.00 0.00 C +ATOM 82 CA ALA A 82 244.248 254.728 249.544 1.00 0.00 C +ATOM 83 CA THR A 83 240.672 254.983 248.254 1.00 0.00 C +TER 84 THR A 83 +END diff --git a/Mammals/Q5D867/Q5D867.dcd b/Mammals/Q5D867/Q5D867.dcd new file mode 100644 index 0000000000000000000000000000000000000000..9755b4ab7d5ac0bb739f27d105ed29b1c207bc10 --- /dev/null +++ b/Mammals/Q5D867/Q5D867.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5ed55595f64decea7fefd36db3ea48d3d15e4e67101d90150ab4405cc47d677b +size 8600276 diff --git a/Mammals/Q5D867/top.pdb b/Mammals/Q5D867/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b521c272b244c21ce8526fbda2633b38d4932fa0 --- /dev/null +++ b/Mammals/Q5D867/top.pdb @@ -0,0 +1,69 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ARG A 1 282.159 218.747 223.071 1.00 0.00 C +ATOM 2 CA HIS A 2 278.891 219.537 224.863 1.00 0.00 C +ATOM 3 CA ASN A 3 276.253 221.473 226.815 1.00 0.00 C +ATOM 4 CA GLY A 4 275.088 224.792 228.278 1.00 0.00 C +ATOM 5 CA SER A 5 274.315 228.414 229.173 1.00 0.00 C +ATOM 6 CA GLU A 6 275.451 231.558 227.345 1.00 0.00 C +ATOM 7 CA SER A 7 277.086 234.736 226.025 1.00 0.00 C +ATOM 8 CA SER A 8 280.138 236.949 226.576 1.00 0.00 C +ATOM 9 CA PRO A 9 283.024 239.432 226.427 1.00 0.00 C +ATOM 10 CA ALA A 10 284.981 240.123 229.622 1.00 0.00 C +ATOM 11 CA THR A 11 284.160 240.107 233.343 1.00 0.00 C +ATOM 12 CA THR A 12 282.120 237.050 234.347 1.00 0.00 C +ATOM 13 CA GLY A 13 280.665 236.294 237.786 1.00 0.00 C +ATOM 14 CA ALA A 14 278.729 237.462 240.852 1.00 0.00 C +ATOM 15 CA LEU A 15 275.468 239.344 240.272 1.00 0.00 C +ATOM 16 CA SER A 16 273.524 239.882 243.504 1.00 0.00 C +ATOM 17 CA THR A 17 269.778 239.212 243.320 1.00 0.00 C +ATOM 18 CA GLY A 18 266.514 238.000 244.869 1.00 0.00 C +ATOM 19 CA SER A 19 265.714 234.324 244.268 1.00 0.00 C +ATOM 20 CA PRO A 20 263.139 233.759 241.517 1.00 0.00 C +ATOM 21 CA PRO A 21 260.302 234.262 239.024 1.00 0.00 C +ATOM 22 CA ARG A 22 260.314 236.506 235.945 1.00 0.00 C +ATOM 23 CA GLU A 23 262.983 239.126 235.216 1.00 0.00 C +ATOM 24 CA ASN A 24 263.014 242.925 235.500 1.00 0.00 C +ATOM 25 CA PRO A 25 262.981 246.303 237.262 1.00 0.00 C +ATOM 26 CA SER A 26 259.951 248.212 235.962 1.00 0.00 C +ATOM 27 CA HIS A 27 256.569 249.712 236.874 1.00 0.00 C +ATOM 28 CA PRO A 28 256.131 253.260 238.190 1.00 0.00 C +ATOM 29 CA THR A 29 257.210 255.606 240.992 1.00 0.00 C +ATOM 30 CA ALA A 30 257.438 253.544 244.188 1.00 0.00 C +ATOM 31 CA SER A 31 255.726 251.912 247.175 1.00 0.00 C +ATOM 32 CA THR A 32 252.360 252.707 248.773 1.00 0.00 C +ATOM 33 CA LEU A 33 248.861 251.201 248.716 1.00 0.00 C +ATOM 34 CA SER A 34 246.836 248.082 247.886 1.00 0.00 C +ATOM 35 CA MET A 35 243.432 246.451 248.409 1.00 0.00 C +ATOM 36 CA GLY A 36 242.013 247.864 251.650 1.00 0.00 C +ATOM 37 CA LEU A 37 241.954 251.669 251.838 1.00 0.00 C +ATOM 38 CA PRO A 38 242.877 252.694 255.389 1.00 0.00 C +ATOM 39 CA PRO A 39 245.317 255.617 255.259 1.00 0.00 C +ATOM 40 CA SER A 40 244.954 258.991 253.528 1.00 0.00 C +ATOM 41 CA GLY A 41 242.885 260.579 250.751 1.00 0.00 C +ATOM 42 CA THR A 42 240.024 262.939 249.877 1.00 0.00 C +ATOM 43 CA VAL A 43 237.122 263.619 252.249 1.00 0.00 C +ATOM 44 CA LEU A 44 233.607 262.406 251.417 1.00 0.00 C +ATOM 45 CA SER A 45 232.506 260.013 254.170 1.00 0.00 C +ATOM 46 CA THR A 46 234.405 258.866 257.267 1.00 0.00 C +ATOM 47 CA GLY A 47 237.100 261.071 258.814 1.00 0.00 C +ATOM 48 CA SER A 48 236.531 262.948 262.080 1.00 0.00 C +ATOM 49 CA PRO A 49 233.707 261.753 264.341 1.00 0.00 C +ATOM 50 CA PRO A 50 231.125 264.424 265.186 1.00 0.00 C +ATOM 51 CA SER A 51 229.470 267.548 266.606 1.00 0.00 C +ATOM 52 CA GLU A 52 231.197 270.911 267.083 1.00 0.00 C +ATOM 53 CA SER A 53 228.336 273.427 267.131 1.00 0.00 C +ATOM 54 CA PRO A 54 227.753 274.128 270.831 1.00 0.00 C +ATOM 55 CA SER A 55 224.163 274.526 272.043 1.00 0.00 C +ATOM 56 CA ARG A 56 223.275 271.306 273.876 1.00 0.00 C +ATOM 57 CA THR A 57 219.483 271.187 274.233 1.00 0.00 C +ATOM 58 CA GLY A 58 218.226 270.655 277.789 1.00 0.00 C +ATOM 59 CA SER A 59 218.060 266.890 278.354 1.00 0.00 C +ATOM 60 CA ALA A 60 215.434 264.209 279.014 1.00 0.00 C +ATOM 61 CA ALA A 61 213.769 260.799 278.679 1.00 0.00 C +ATOM 62 CA SER A 62 215.077 257.417 277.509 1.00 0.00 C +ATOM 63 CA ALA A 63 215.942 253.905 278.706 1.00 0.00 C +ATOM 64 CA ALA A 64 212.831 252.526 280.420 1.00 0.00 C +ATOM 65 CA THR A 65 209.548 254.111 281.527 1.00 0.00 C +TER 66 THR A 65 +END diff --git a/Mammals/Q5DM41/Q5DM41.dcd b/Mammals/Q5DM41/Q5DM41.dcd new file mode 100644 index 0000000000000000000000000000000000000000..803e7181f76ca47b1c4c4caf7db0dcf3df9bf675 --- /dev/null +++ b/Mammals/Q5DM41/Q5DM41.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5475f9c81b75f32a91b2757ccbbcdd3ae394b665d607e9613aa81c47f49a61be +size 8120276 diff --git a/Mammals/Q5DM41/top.pdb b/Mammals/Q5DM41/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5675dee34548d59df65b0f16f2fa056a1ba15772 --- /dev/null +++ b/Mammals/Q5DM41/top.pdb @@ -0,0 +1,65 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA PRO A 1 256.297 241.608 284.804 1.00 0.00 C +ATOM 2 CA ARG A 2 258.101 239.921 281.903 1.00 0.00 C +ATOM 3 CA ARG A 3 257.485 236.161 281.934 1.00 0.00 C +ATOM 4 CA HIS A 4 255.052 233.385 280.989 1.00 0.00 C +ATOM 5 CA ARG A 5 251.337 232.875 280.314 1.00 0.00 C +ATOM 6 CA PHE A 6 249.368 236.136 280.384 1.00 0.00 C +ATOM 7 CA SER A 7 251.670 238.758 281.915 1.00 0.00 C +ATOM 8 CA GLU A 8 250.035 241.163 284.377 1.00 0.00 C +ATOM 9 CA GLU A 9 250.919 243.074 287.552 1.00 0.00 C +ATOM 10 CA GLU A 10 249.133 241.899 290.706 1.00 0.00 C +ATOM 11 CA LEU A 11 245.437 241.964 291.629 1.00 0.00 C +ATOM 12 CA LYS A 12 243.320 244.557 293.447 1.00 0.00 C +ATOM 13 CA PRO A 13 240.213 246.115 291.885 1.00 0.00 C +ATOM 14 CA GLN A 14 240.631 249.366 289.943 1.00 0.00 C +ATOM 15 CA PRO A 15 239.905 250.650 286.430 1.00 0.00 C +ATOM 16 CA ILE A 16 242.132 250.510 283.342 1.00 0.00 C +ATOM 17 CA MET A 17 243.453 252.874 280.661 1.00 0.00 C +ATOM 18 CA LYS A 18 246.855 253.316 279.006 1.00 0.00 C +ATOM 19 CA LYS A 19 250.271 251.629 278.935 1.00 0.00 C +ATOM 20 CA ALA A 20 253.692 252.317 280.465 1.00 0.00 C +ATOM 21 CA ARG A 21 256.316 254.937 279.591 1.00 0.00 C +ATOM 22 CA LYS A 22 255.465 258.255 277.922 1.00 0.00 C +ATOM 23 CA ILE A 23 253.617 257.407 274.700 1.00 0.00 C +ATOM 24 CA GLN A 24 254.696 259.077 271.450 1.00 0.00 C +ATOM 25 CA VAL A 25 252.359 258.846 268.450 1.00 0.00 C +ATOM 26 CA PRO A 26 250.229 258.560 265.304 1.00 0.00 C +ATOM 27 CA GLU A 27 246.888 259.375 263.665 1.00 0.00 C +ATOM 28 CA GLU A 28 247.007 260.130 259.933 1.00 0.00 C +ATOM 29 CA GLN A 29 245.777 257.627 257.337 1.00 0.00 C +ATOM 30 CA LYS A 30 247.073 254.605 255.412 1.00 0.00 C +ATOM 31 CA ASP A 31 249.386 254.873 252.396 1.00 0.00 C +ATOM 32 CA GLU A 32 249.636 254.334 248.632 1.00 0.00 C +ATOM 33 CA LYS A 33 250.335 253.419 245.001 1.00 0.00 C +ATOM 34 CA TYR A 34 251.005 249.725 244.355 1.00 0.00 C +ATOM 35 CA TRP A 35 248.820 247.018 245.909 1.00 0.00 C +ATOM 36 CA SER A 36 249.432 243.869 243.853 1.00 0.00 C +ATOM 37 CA ARG A 37 250.230 242.158 240.544 1.00 0.00 C +ATOM 38 CA ARG A 38 249.081 239.453 238.120 1.00 0.00 C +ATOM 39 CA TYR A 39 247.197 237.036 235.856 1.00 0.00 C +ATOM 40 CA LYS A 40 243.607 238.071 235.106 1.00 0.00 C +ATOM 41 CA ASN A 41 240.877 239.325 232.764 1.00 0.00 C +ATOM 42 CA ASN A 42 242.709 240.817 229.775 1.00 0.00 C +ATOM 43 CA GLU A 43 241.834 242.889 226.700 1.00 0.00 C +ATOM 44 CA ALA A 44 243.406 245.925 225.018 1.00 0.00 C +ATOM 45 CA ALA A 45 246.111 248.608 224.988 1.00 0.00 C +ATOM 46 CA LYS A 46 247.656 250.175 221.877 1.00 0.00 C +ATOM 47 CA ARG A 47 248.976 251.595 218.598 1.00 0.00 C +ATOM 48 CA SER A 48 251.117 254.203 216.827 1.00 0.00 C +ATOM 49 CA ARG A 49 250.067 257.541 215.320 1.00 0.00 C +ATOM 50 CA ASP A 50 250.566 259.598 212.152 1.00 0.00 C +ATOM 51 CA ALA A 51 249.606 263.011 210.758 1.00 0.00 C +ATOM 52 CA ARG A 52 248.431 264.540 207.472 1.00 0.00 C +ATOM 53 CA ARG A 53 250.647 263.316 204.624 1.00 0.00 C +ATOM 54 CA LEU A 54 250.244 261.829 201.139 1.00 0.00 C +ATOM 55 CA LYS A 55 250.725 258.425 199.496 1.00 0.00 C +ATOM 56 CA GLU A 56 252.996 255.368 199.591 1.00 0.00 C +ATOM 57 CA ASN A 57 256.384 256.286 201.072 1.00 0.00 C +ATOM 58 CA GLN A 58 258.548 253.293 202.006 1.00 0.00 C +ATOM 59 CA ILE A 59 262.102 254.462 202.728 1.00 0.00 C +ATOM 60 CA SER A 60 264.973 256.197 200.923 1.00 0.00 C +ATOM 61 CA VAL A 61 268.564 255.546 202.018 1.00 0.00 C +TER 62 VAL A 61 +END diff --git a/Mammals/Q5DM42/Q5DM42.dcd b/Mammals/Q5DM42/Q5DM42.dcd new file mode 100644 index 0000000000000000000000000000000000000000..315a108916adc8eb8f4de6d1411bb522fecbf315 --- /dev/null +++ b/Mammals/Q5DM42/Q5DM42.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f932500cb2cd7bdb88560c9abe56e4d973a9f805993881341dc47f961de6428b +size 7280276 diff --git a/Mammals/Q5DM42/top.pdb b/Mammals/Q5DM42/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..64883684e8e4205fe84c090cfab23a9063f2d491 --- /dev/null +++ b/Mammals/Q5DM42/top.pdb @@ -0,0 +1,58 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ILE A 1 252.501 242.950 245.960 1.00 0.00 C +ATOM 2 CA ASP A 2 255.062 245.425 244.606 1.00 0.00 C +ATOM 3 CA PHE A 3 253.681 248.220 242.415 1.00 0.00 C +ATOM 4 CA SER A 4 254.708 251.749 243.418 1.00 0.00 C +ATOM 5 CA PRO A 5 251.424 253.618 243.910 1.00 0.00 C +ATOM 6 CA TYR A 6 250.801 253.554 247.668 1.00 0.00 C +ATOM 7 CA LEU A 7 252.734 255.567 250.262 1.00 0.00 C +ATOM 8 CA GLU A 8 254.631 258.056 252.434 1.00 0.00 C +ATOM 9 CA PRO A 9 254.685 260.249 255.549 1.00 0.00 C +ATOM 10 CA LEU A 10 257.914 261.716 256.942 1.00 0.00 C +ATOM 11 CA GLY A 11 260.530 259.146 257.975 1.00 0.00 C +ATOM 12 CA ALA A 12 263.019 256.326 257.368 1.00 0.00 C +ATOM 13 CA PRO A 13 265.209 255.729 260.428 1.00 0.00 C +ATOM 14 CA GLN A 14 263.816 254.796 263.849 1.00 0.00 C +ATOM 15 CA ALA A 15 261.769 255.237 267.032 1.00 0.00 C +ATOM 16 CA PRO A 16 258.439 255.843 268.782 1.00 0.00 C +ATOM 17 CA ALA A 17 254.864 255.504 267.510 1.00 0.00 C +ATOM 18 CA PRO A 18 252.184 257.656 265.867 1.00 0.00 C +ATOM 19 CA THR A 19 250.629 255.776 262.941 1.00 0.00 C +ATOM 20 CA THR A 20 248.485 252.831 261.824 1.00 0.00 C +ATOM 21 CA ALA A 21 246.183 249.813 261.498 1.00 0.00 C +ATOM 22 CA SER A 22 247.066 246.252 260.470 1.00 0.00 C +ATOM 23 CA ASP A 23 249.670 246.338 257.690 1.00 0.00 C +ATOM 24 CA THR A 24 249.793 245.695 253.937 1.00 0.00 C +ATOM 25 CA PHE A 25 253.466 245.074 253.134 1.00 0.00 C +ATOM 26 CA GLU A 26 255.983 247.848 252.439 1.00 0.00 C +ATOM 27 CA ALA A 27 258.379 250.312 250.794 1.00 0.00 C +ATOM 28 CA ALA A 28 259.664 253.704 251.959 1.00 0.00 C +ATOM 29 CA PRO A 29 260.985 256.952 250.469 1.00 0.00 C +ATOM 30 CA PRO A 30 261.778 257.463 246.777 1.00 0.00 C +ATOM 31 CA ALA A 31 259.398 259.535 244.642 1.00 0.00 C +ATOM 32 CA PRO A 32 257.214 262.106 242.871 1.00 0.00 C +ATOM 33 CA ALA A 33 257.069 262.929 239.153 1.00 0.00 C +ATOM 34 CA PRO A 34 255.434 263.386 235.742 1.00 0.00 C +ATOM 35 CA ALA A 35 252.145 262.637 233.971 1.00 0.00 C +ATOM 36 CA PRO A 36 249.198 260.584 232.699 1.00 0.00 C +ATOM 37 CA ALA A 37 246.935 257.573 232.128 1.00 0.00 C +ATOM 38 CA SER A 38 243.351 256.287 231.988 1.00 0.00 C +ATOM 39 CA SER A 39 241.507 256.476 235.316 1.00 0.00 C +ATOM 40 CA GLY A 40 241.413 253.762 237.989 1.00 0.00 C +ATOM 41 CA GLN A 41 238.908 250.892 237.949 1.00 0.00 C +ATOM 42 CA HIS A 42 239.586 247.150 238.183 1.00 0.00 C +ATOM 43 CA HIS A 43 238.566 243.652 239.295 1.00 0.00 C +ATOM 44 CA ASP A 44 236.451 240.540 239.891 1.00 0.00 C +ATOM 45 CA PHE A 45 233.808 240.684 242.632 1.00 0.00 C +ATOM 46 CA LEU A 46 235.708 240.822 245.931 1.00 0.00 C +ATOM 47 CA SER A 47 238.783 241.004 248.173 1.00 0.00 C +ATOM 48 CA ASP A 48 239.228 237.683 249.986 1.00 0.00 C +ATOM 49 CA LEU A 49 236.592 235.060 250.815 1.00 0.00 C +ATOM 50 CA PHE A 50 236.780 231.713 252.625 1.00 0.00 C +ATOM 51 CA SER A 51 239.398 229.081 253.483 1.00 0.00 C +ATOM 52 CA ASP A 52 239.583 226.753 256.494 1.00 0.00 C +ATOM 53 CA ASP A 53 240.858 224.576 259.349 1.00 0.00 C +ATOM 54 CA TYR A 54 242.039 225.715 262.787 1.00 0.00 C +TER 55 TYR A 54 +END diff --git a/Mammals/Q5DNC6/Q5DNC6.dcd b/Mammals/Q5DNC6/Q5DNC6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..1ebeda8baaaf12d0b87888733dd425c95d66ce6f --- /dev/null +++ b/Mammals/Q5DNC6/Q5DNC6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:69c7317d46193f45ffbf2d47094150ffcc5cccf7c8764659742783394fb36323 +size 5720276 diff --git a/Mammals/Q5DNC6/top.pdb b/Mammals/Q5DNC6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3175452d5e8ae498dedd9ad3b1843d78357e2dcb --- /dev/null +++ b/Mammals/Q5DNC6/top.pdb @@ -0,0 +1,45 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 272.045 237.369 234.168 1.00 0.00 C +ATOM 2 CA SER A 2 271.039 235.912 237.542 1.00 0.00 C +ATOM 3 CA SER A 3 271.916 238.138 240.507 1.00 0.00 C +ATOM 4 CA ALA A 4 272.492 241.663 241.833 1.00 0.00 C +ATOM 5 CA ARG A 5 269.306 243.723 242.179 1.00 0.00 C +ATOM 6 CA THR A 6 268.457 247.182 240.827 1.00 0.00 C +ATOM 7 CA PRO A 7 267.445 250.810 240.251 1.00 0.00 C +ATOM 8 CA LEU A 8 267.326 253.724 242.703 1.00 0.00 C +ATOM 9 CA PRO A 9 263.846 253.676 244.253 1.00 0.00 C +ATOM 10 CA THR A 10 261.332 255.704 246.273 1.00 0.00 C +ATOM 11 CA LEU A 11 258.163 257.119 247.845 1.00 0.00 C +ATOM 12 CA ASN A 12 254.668 257.940 246.569 1.00 0.00 C +ATOM 13 CA GLU A 13 253.680 261.286 248.099 1.00 0.00 C +ATOM 14 CA ARG A 14 253.656 263.496 251.202 1.00 0.00 C +ATOM 15 CA ASP A 15 252.293 262.794 254.690 1.00 0.00 C +ATOM 16 CA THR A 16 250.126 259.664 254.531 1.00 0.00 C +ATOM 17 CA GLU A 17 246.567 258.681 253.594 1.00 0.00 C +ATOM 18 CA GLN A 18 245.753 254.961 253.464 1.00 0.00 C +ATOM 19 CA PRO A 19 242.426 253.574 252.230 1.00 0.00 C +ATOM 20 CA THR A 20 241.452 252.504 248.705 1.00 0.00 C +ATOM 21 CA LEU A 21 240.282 251.310 245.281 1.00 0.00 C +ATOM 22 CA GLY A 22 240.153 250.472 241.566 1.00 0.00 C +ATOM 23 CA HIS A 23 237.619 247.684 241.001 1.00 0.00 C +ATOM 24 CA LEU A 24 239.527 244.695 239.608 1.00 0.00 C +ATOM 25 CA ASP A 25 238.418 241.625 237.643 1.00 0.00 C +ATOM 26 CA SER A 26 238.319 238.841 240.242 1.00 0.00 C +ATOM 27 CA LYS A 27 236.302 240.032 243.247 1.00 0.00 C +ATOM 28 CA PRO A 28 235.060 238.957 246.685 1.00 0.00 C +ATOM 29 CA SER A 29 237.536 239.478 249.534 1.00 0.00 C +ATOM 30 CA SER A 30 237.950 241.975 252.381 1.00 0.00 C +ATOM 31 CA LYS A 31 237.199 243.593 255.748 1.00 0.00 C +ATOM 32 CA SER A 32 238.589 246.921 256.975 1.00 0.00 C +ATOM 33 CA ASN A 33 241.461 249.291 257.780 1.00 0.00 C +ATOM 34 CA MET A 34 245.141 248.731 256.967 1.00 0.00 C +ATOM 35 CA ILE A 35 247.346 251.287 258.733 1.00 0.00 C +ATOM 36 CA ARG A 36 248.115 254.741 260.147 1.00 0.00 C +ATOM 37 CA GLY A 37 247.591 257.285 262.934 1.00 0.00 C +ATOM 38 CA ARG A 38 247.358 255.294 266.174 1.00 0.00 C +ATOM 39 CA ASN A 39 246.210 256.098 269.717 1.00 0.00 C +ATOM 40 CA SER A 40 244.785 255.522 273.203 1.00 0.00 C +ATOM 41 CA ALA A 41 241.052 256.249 272.968 1.00 0.00 C +TER 42 ALA A 41 +END diff --git a/Mammals/Q5DQ96/Q5DQ96.dcd b/Mammals/Q5DQ96/Q5DQ96.dcd new file mode 100644 index 0000000000000000000000000000000000000000..4070a81b5d068980f07dcea8674a13da7e4fe49a --- /dev/null +++ b/Mammals/Q5DQ96/Q5DQ96.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3f2d4e3c3971d48217c309bd770e6ed8601d897a446fbe53d8943c61158ae2f7 +size 9200276 diff --git a/Mammals/Q5DQ96/top.pdb b/Mammals/Q5DQ96/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e5ba48275f5b2682faf8d306ffadcef005936df9 --- /dev/null +++ b/Mammals/Q5DQ96/top.pdb @@ -0,0 +1,74 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLU A 1 262.489 287.607 259.051 1.00 0.00 C +ATOM 2 CA PHE A 2 261.308 284.785 261.321 1.00 0.00 C +ATOM 3 CA GLU A 3 261.296 283.036 264.706 1.00 0.00 C +ATOM 4 CA PRO A 4 258.137 284.264 266.447 1.00 0.00 C +ATOM 5 CA SER A 5 256.297 282.923 269.502 1.00 0.00 C +ATOM 6 CA GLU A 6 256.029 280.418 272.361 1.00 0.00 C +ATOM 7 CA GLN A 7 256.370 276.861 273.681 1.00 0.00 C +ATOM 8 CA GLU A 8 256.951 273.118 273.270 1.00 0.00 C +ATOM 9 CA ASP A 9 259.590 270.522 272.368 1.00 0.00 C +ATOM 10 CA SER A 10 262.039 268.576 270.194 1.00 0.00 C +ATOM 11 CA SER A 11 263.712 265.165 270.482 1.00 0.00 C +ATOM 12 CA PRO A 12 265.900 263.275 268.000 1.00 0.00 C +ATOM 13 CA ALA A 13 264.353 262.379 264.635 1.00 0.00 C +ATOM 14 CA ASP A 14 260.651 262.193 263.754 1.00 0.00 C +ATOM 15 CA ARG A 15 257.760 259.958 264.833 1.00 0.00 C +ATOM 16 CA GLY A 16 255.996 258.148 261.982 1.00 0.00 C +ATOM 17 CA LEU A 17 253.374 255.723 260.655 1.00 0.00 C +ATOM 18 CA GLY A 18 252.081 253.315 258.001 1.00 0.00 C +ATOM 19 CA PRO A 19 248.639 252.215 256.793 1.00 0.00 C +ATOM 20 CA SER A 20 246.721 251.710 253.540 1.00 0.00 C +ATOM 21 CA PRO A 21 246.235 248.890 251.024 1.00 0.00 C +ATOM 22 CA THR A 22 242.511 248.663 250.255 1.00 0.00 C +ATOM 23 CA GLY A 23 240.180 249.943 252.983 1.00 0.00 C +ATOM 24 CA ASP A 24 241.140 250.420 256.639 1.00 0.00 C +ATOM 25 CA ARG A 25 240.311 251.318 260.247 1.00 0.00 C +ATOM 26 CA PRO A 26 239.900 254.969 261.255 1.00 0.00 C +ATOM 27 CA PRO A 27 236.534 256.557 260.437 1.00 0.00 C +ATOM 28 CA GLY A 28 232.798 257.037 259.866 1.00 0.00 C +ATOM 29 CA LEU A 29 231.310 259.224 257.124 1.00 0.00 C +ATOM 30 CA SER A 30 228.628 259.105 254.420 1.00 0.00 C +ATOM 31 CA LYS A 31 225.907 256.438 254.394 1.00 0.00 C +ATOM 32 CA HIS A 32 227.411 253.003 255.065 1.00 0.00 C +ATOM 33 CA TRP A 33 228.499 249.457 255.935 1.00 0.00 C +ATOM 34 CA LEU A 34 230.678 246.744 254.383 1.00 0.00 C +ATOM 35 CA THR A 35 233.264 248.203 251.995 1.00 0.00 C +ATOM 36 CA ALA A 36 235.216 247.820 248.746 1.00 0.00 C +ATOM 37 CA PRO A 37 235.801 244.161 247.859 1.00 0.00 C +ATOM 38 CA GLY A 38 239.401 243.052 248.433 1.00 0.00 C +ATOM 39 CA LEU A 39 240.443 241.003 245.394 1.00 0.00 C +ATOM 40 CA LEU A 40 243.798 240.351 243.711 1.00 0.00 C +ATOM 41 CA GLY A 41 246.518 242.813 244.741 1.00 0.00 C +ATOM 42 CA GLU A 42 245.365 246.372 245.457 1.00 0.00 C +ATOM 43 CA ALA A 43 247.392 249.185 243.877 1.00 0.00 C +ATOM 44 CA GLY A 44 250.191 248.590 241.362 1.00 0.00 C +ATOM 45 CA HIS A 45 253.385 246.520 241.184 1.00 0.00 C +ATOM 46 CA GLN A 46 256.771 248.085 240.409 1.00 0.00 C +ATOM 47 CA GLN A 47 259.183 248.216 237.462 1.00 0.00 C +ATOM 48 CA GLY A 48 259.285 247.980 233.661 1.00 0.00 C +ATOM 49 CA GLN A 49 259.779 246.793 230.075 1.00 0.00 C +ATOM 50 CA PRO A 50 262.252 245.546 227.459 1.00 0.00 C +ATOM 51 CA ALA A 51 264.965 245.729 224.790 1.00 0.00 C +ATOM 52 CA GLY A 52 268.368 245.146 226.401 1.00 0.00 C +ATOM 53 CA SER A 53 268.354 242.115 228.709 1.00 0.00 C +ATOM 54 CA SER A 54 267.380 240.040 231.753 1.00 0.00 C +ATOM 55 CA HIS A 55 263.922 238.999 232.967 1.00 0.00 C +ATOM 56 CA HIS A 56 260.589 237.275 233.630 1.00 0.00 C +ATOM 57 CA GLY A 57 260.786 233.700 234.932 1.00 0.00 C +ATOM 58 CA GLY A 58 258.404 231.169 236.492 1.00 0.00 C +ATOM 59 CA THR A 59 255.217 229.197 235.804 1.00 0.00 C +ATOM 60 CA GLY A 60 251.458 228.589 235.679 1.00 0.00 C +ATOM 61 CA ALA A 61 248.128 230.431 235.506 1.00 0.00 C +ATOM 62 CA VAL A 62 245.998 231.153 238.581 1.00 0.00 C +ATOM 63 CA GLU A 63 242.244 230.718 238.099 1.00 0.00 C +ATOM 64 CA THR A 64 240.109 229.999 241.171 1.00 0.00 C +ATOM 65 CA ARG A 65 242.484 230.433 244.119 1.00 0.00 C +ATOM 66 CA SER A 66 245.624 228.555 245.182 1.00 0.00 C +ATOM 67 CA ARG A 67 249.291 228.305 244.182 1.00 0.00 C +ATOM 68 CA HIS A 68 250.280 224.885 242.822 1.00 0.00 C +ATOM 69 CA SER A 69 249.652 221.129 242.705 1.00 0.00 C +ATOM 70 CA SER A 70 246.967 219.783 245.048 1.00 0.00 C +TER 71 SER A 70 +END diff --git a/Mammals/Q5DTU3/Q5DTU3.dcd b/Mammals/Q5DTU3/Q5DTU3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..96416060edf394f9d7fa776e5c1448c76ff6d86c --- /dev/null +++ b/Mammals/Q5DTU3/Q5DTU3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9d10908b83d39f1ca3e1ff15c468ad50a08a33a169cf908fadef8d17b66dfe3b +size 118480276 diff --git a/Mammals/Q5DTU3/top.pdb b/Mammals/Q5DTU3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..057b5fd1135def3bf59b11b1dce7ab6e9a26ccc4 --- /dev/null +++ b/Mammals/Q5DTU3/top.pdb @@ -0,0 +1,491 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 1170.000 1170.000 1170.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LYS A 1 479.231 634.945 533.920 1.00 0.00 C +ATOM 2 CA ILE A 2 477.865 637.754 531.738 1.00 0.00 C +ATOM 3 CA ARG A 3 478.686 640.976 529.877 1.00 0.00 C +ATOM 4 CA ALA A 4 476.972 644.379 529.868 1.00 0.00 C +ATOM 5 CA THR A 5 476.482 646.663 532.878 1.00 0.00 C +ATOM 6 CA ASN A 6 479.572 647.393 534.983 1.00 0.00 C +ATOM 7 CA ARG A 7 480.320 648.663 538.496 1.00 0.00 C +ATOM 8 CA ARG A 8 477.576 648.530 541.136 1.00 0.00 C +ATOM 9 CA GLY A 9 474.170 649.836 542.237 1.00 0.00 C +ATOM 10 CA PRO A 10 471.539 647.080 542.265 1.00 0.00 C +ATOM 11 CA GLY A 11 471.398 645.081 545.506 1.00 0.00 C +ATOM 12 CA PRO A 12 472.726 641.895 547.119 1.00 0.00 C +ATOM 13 CA HIS A 13 472.017 639.048 549.549 1.00 0.00 C +ATOM 14 CA SER A 14 473.907 638.400 552.793 1.00 0.00 C +ATOM 15 CA LYS A 15 474.229 639.983 556.244 1.00 0.00 C +ATOM 16 CA ALA A 16 471.434 642.382 557.216 1.00 0.00 C +ATOM 17 CA PHE A 17 468.776 642.536 559.943 1.00 0.00 C +ATOM 18 CA ILE A 18 465.043 641.793 559.787 1.00 0.00 C +ATOM 19 CA VAL A 19 462.060 642.612 557.562 1.00 0.00 C +ATOM 20 CA ALA A 20 461.768 646.411 557.579 1.00 0.00 C +ATOM 21 CA ILE A 21 462.738 647.593 554.090 1.00 0.00 C +ATOM 22 CA PRO A 22 464.784 644.947 552.266 1.00 0.00 C +ATOM 23 CA THR A 23 463.416 642.512 549.675 1.00 0.00 C +ATOM 24 CA THR A 24 465.247 639.172 549.743 1.00 0.00 C +ATOM 25 CA SER A 25 466.723 637.824 552.986 1.00 0.00 C +ATOM 26 CA SER A 26 467.853 635.231 555.540 1.00 0.00 C +ATOM 27 CA THR A 27 469.503 631.839 556.072 1.00 0.00 C +ATOM 28 CA GLU A 28 472.384 630.724 558.301 1.00 0.00 C +ATOM 29 CA ALA A 29 475.648 632.665 557.997 1.00 0.00 C +ATOM 30 CA SER A 30 477.943 632.125 555.005 1.00 0.00 C +ATOM 31 CA ALA A 31 479.265 635.324 553.412 1.00 0.00 C +ATOM 32 CA GLN A 32 482.410 636.831 554.946 1.00 0.00 C +ATOM 33 CA PRO A 33 481.969 638.281 558.441 1.00 0.00 C +ATOM 34 CA ASN A 34 481.327 639.162 562.092 1.00 0.00 C +ATOM 35 CA GLY A 35 481.629 638.247 565.778 1.00 0.00 C +ATOM 36 CA ARG A 36 484.999 636.844 566.870 1.00 0.00 C +ATOM 37 CA ASP A 37 488.413 638.019 568.085 1.00 0.00 C +ATOM 38 CA SER A 38 489.802 641.130 566.381 1.00 0.00 C +ATOM 39 CA SER A 39 488.891 644.673 567.447 1.00 0.00 C +ATOM 40 CA ARG A 40 485.891 646.058 569.345 1.00 0.00 C +ATOM 41 CA LYS A 41 482.435 647.617 569.714 1.00 0.00 C +ATOM 42 CA PRO A 42 478.965 646.564 570.885 1.00 0.00 C +ATOM 43 CA GLU A 43 475.958 646.160 573.189 1.00 0.00 C +ATOM 44 CA LYS A 44 472.441 646.966 574.413 1.00 0.00 C +ATOM 45 CA LEU A 45 469.626 648.876 572.699 1.00 0.00 C +ATOM 46 CA GLN A 46 467.142 650.101 570.082 1.00 0.00 C +ATOM 47 CA GLN A 47 469.164 652.138 567.576 1.00 0.00 C +ATOM 48 CA PRO A 48 470.323 655.712 566.944 1.00 0.00 C +ATOM 49 CA SER A 49 470.422 657.357 563.509 1.00 0.00 C +ATOM 50 CA SER A 50 468.769 659.092 560.547 1.00 0.00 C +ATOM 51 CA PRO A 51 464.972 659.273 560.794 1.00 0.00 C +ATOM 52 CA ALA A 52 461.875 659.303 558.574 1.00 0.00 C +ATOM 53 CA PRO A 53 460.196 657.862 555.473 1.00 0.00 C +ATOM 54 CA LYS A 54 458.291 654.854 554.116 1.00 0.00 C +ATOM 55 CA VAL A 55 458.644 651.655 556.154 1.00 0.00 C +ATOM 56 CA ALA A 56 456.280 648.699 556.594 1.00 0.00 C +ATOM 57 CA ALA A 57 455.903 647.714 560.255 1.00 0.00 C +ATOM 58 CA SER A 58 452.644 646.293 561.626 1.00 0.00 C +ATOM 59 CA SER A 59 451.625 642.838 560.386 1.00 0.00 C +ATOM 60 CA GLU A 60 448.802 640.289 560.619 1.00 0.00 C +ATOM 61 CA HIS A 61 446.970 637.758 558.439 1.00 0.00 C +ATOM 62 CA THR A 62 446.965 634.858 555.968 1.00 0.00 C +ATOM 63 CA PRO A 63 445.249 631.511 556.578 1.00 0.00 C +ATOM 64 CA SER A 64 445.384 629.273 559.658 1.00 0.00 C +ATOM 65 CA ALA A 65 443.027 626.705 561.198 1.00 0.00 C +ATOM 66 CA LYS A 66 445.136 624.261 563.221 1.00 0.00 C +ATOM 67 CA ASN A 67 448.528 625.143 564.715 1.00 0.00 C +ATOM 68 CA VAL A 68 449.342 627.442 567.643 1.00 0.00 C +ATOM 69 CA LYS A 69 448.349 630.940 566.508 1.00 0.00 C +ATOM 70 CA ASP A 70 445.942 632.413 569.068 1.00 0.00 C +ATOM 71 CA ALA A 71 443.594 630.872 571.643 1.00 0.00 C +ATOM 72 CA LEU A 72 442.711 633.764 573.961 1.00 0.00 C +ATOM 73 CA SER A 73 440.383 633.699 576.976 1.00 0.00 C +ATOM 74 CA ASP A 74 440.515 630.554 579.123 1.00 0.00 C +ATOM 75 CA LEU A 75 441.415 630.360 582.820 1.00 0.00 C +ATOM 76 CA ASN A 76 442.975 633.197 584.828 1.00 0.00 C +ATOM 77 CA LYS A 77 446.009 631.592 586.482 1.00 0.00 C +ATOM 78 CA ILE A 78 449.070 633.820 586.907 1.00 0.00 C +ATOM 79 CA ARG A 79 452.084 633.943 589.235 1.00 0.00 C +ATOM 80 CA THR A 80 451.051 633.736 592.897 1.00 0.00 C +ATOM 81 CA ASN A 81 449.716 634.377 596.407 1.00 0.00 C +ATOM 82 CA GLY A 82 449.976 634.850 600.179 1.00 0.00 C +ATOM 83 CA VAL A 83 447.444 636.950 602.102 1.00 0.00 C +ATOM 84 CA VAL A 84 445.164 637.487 605.106 1.00 0.00 C +ATOM 85 CA PRO A 85 445.571 641.004 606.516 1.00 0.00 C +ATOM 86 CA GLY A 86 447.613 643.795 604.917 1.00 0.00 C +ATOM 87 CA LYS A 87 450.642 645.928 605.807 1.00 0.00 C +ATOM 88 CA THR A 88 452.643 648.985 604.726 1.00 0.00 C +ATOM 89 CA GLN A 89 456.371 648.217 604.893 1.00 0.00 C +ATOM 90 CA LEU A 90 457.732 645.417 602.696 1.00 0.00 C +ATOM 91 CA HIS A 91 461.352 646.276 601.876 1.00 0.00 C +ATOM 92 CA SER A 92 463.577 648.777 600.057 1.00 0.00 C +ATOM 93 CA LYS A 93 466.841 648.910 602.018 1.00 0.00 C +ATOM 94 CA MET A 94 470.491 649.834 601.434 1.00 0.00 C +ATOM 95 CA GLY A 95 473.888 651.330 600.573 1.00 0.00 C +ATOM 96 CA GLU A 96 476.867 653.093 598.982 1.00 0.00 C +ATOM 97 CA LEU A 97 479.509 655.792 599.484 1.00 0.00 C +ATOM 98 CA ASP A 98 482.280 656.285 602.052 1.00 0.00 C +ATOM 99 CA PRO A 99 486.034 655.632 602.083 1.00 0.00 C +ATOM 100 CA GLN A 100 489.379 654.169 603.173 1.00 0.00 C +ATOM 101 CA SER A 101 490.809 650.821 604.296 1.00 0.00 C +ATOM 102 CA THR A 102 491.684 650.053 607.923 1.00 0.00 C +ATOM 103 CA GLU A 103 495.481 649.769 608.061 1.00 0.00 C +ATOM 104 CA VAL A 104 496.796 651.913 610.923 1.00 0.00 C +ATOM 105 CA THR A 105 498.091 650.754 614.314 1.00 0.00 C +ATOM 106 CA GLY A 106 498.088 647.839 616.766 1.00 0.00 C +ATOM 107 CA LYS A 107 500.644 645.019 616.586 1.00 0.00 C +ATOM 108 CA GLU A 108 503.342 642.358 616.978 1.00 0.00 C +ATOM 109 CA GLU A 109 504.684 639.649 614.659 1.00 0.00 C +ATOM 110 CA LEU A 110 503.434 640.094 611.087 1.00 0.00 C +ATOM 111 CA ASP A 111 500.860 642.882 610.739 1.00 0.00 C +ATOM 112 CA SER A 112 497.224 641.750 610.869 1.00 0.00 C +ATOM 113 CA LEU A 113 494.636 639.695 608.974 1.00 0.00 C +ATOM 114 CA GLU A 114 491.663 637.453 609.784 1.00 0.00 C +ATOM 115 CA ASP A 115 488.775 639.779 610.657 1.00 0.00 C +ATOM 116 CA PRO A 116 486.313 642.284 612.135 1.00 0.00 C +ATOM 117 CA ARG A 117 483.666 644.300 613.991 1.00 0.00 C +ATOM 118 CA SER A 118 479.974 644.805 614.781 1.00 0.00 C +ATOM 119 CA SER A 119 477.852 646.897 612.407 1.00 0.00 C +ATOM 120 CA ARG A 120 476.305 645.119 609.413 1.00 0.00 C +ATOM 121 CA LEU A 121 476.648 641.811 607.554 1.00 0.00 C +ATOM 122 CA GLU A 122 475.903 640.128 604.218 1.00 0.00 C +ATOM 123 CA THR A 123 476.295 641.719 600.779 1.00 0.00 C +ATOM 124 CA LEU A 124 474.864 645.248 600.895 1.00 0.00 C +ATOM 125 CA ASN A 125 474.106 646.105 597.261 1.00 0.00 C +ATOM 126 CA GLN A 126 473.368 648.499 594.390 1.00 0.00 C +ATOM 127 CA LYS A 127 475.906 650.547 592.421 1.00 0.00 C +ATOM 128 CA GLN A 128 477.850 652.603 589.869 1.00 0.00 C +ATOM 129 CA PRO A 129 478.390 652.770 586.101 1.00 0.00 C +ATOM 130 CA LEU A 130 478.888 654.458 582.722 1.00 0.00 C +ATOM 131 CA ARG A 131 481.503 656.093 580.486 1.00 0.00 C +ATOM 132 CA VAL A 132 485.193 656.517 579.634 1.00 0.00 C +ATOM 133 CA PRO A 133 485.785 660.280 579.682 1.00 0.00 C +ATOM 134 CA SER A 134 487.483 662.927 577.531 1.00 0.00 C +ATOM 135 CA ARG A 135 490.842 661.688 576.229 1.00 0.00 C +ATOM 136 CA SER A 136 493.859 661.183 578.499 1.00 0.00 C +ATOM 137 CA GLY A 137 496.293 658.862 576.709 1.00 0.00 C +ATOM 138 CA HIS A 138 495.695 655.596 574.841 1.00 0.00 C +ATOM 139 CA GLY A 139 494.088 655.584 571.386 1.00 0.00 C +ATOM 140 CA VAL A 140 492.489 656.860 568.172 1.00 0.00 C +ATOM 141 CA LEU A 141 494.004 656.204 564.738 1.00 0.00 C +ATOM 142 CA ALA A 142 495.780 658.270 562.074 1.00 0.00 C +ATOM 143 CA PRO A 143 499.197 656.837 561.186 1.00 0.00 C +ATOM 144 CA GLY A 144 499.759 655.968 557.519 1.00 0.00 C +ATOM 145 CA ARG A 145 497.509 653.259 556.065 1.00 0.00 C +ATOM 146 CA THR A 146 498.363 652.558 552.419 1.00 0.00 C +ATOM 147 CA PRO A 147 499.167 649.766 549.954 1.00 0.00 C +ATOM 148 CA ALA A 148 502.772 648.581 549.615 1.00 0.00 C +ATOM 149 CA ARG A 149 505.662 648.120 552.055 1.00 0.00 C +ATOM 150 CA THR A 150 504.788 648.899 555.681 1.00 0.00 C +ATOM 151 CA GLY A 151 503.665 651.418 558.309 1.00 0.00 C +ATOM 152 CA LEU A 152 503.411 650.707 562.044 1.00 0.00 C +ATOM 153 CA PRO A 153 506.637 651.750 563.781 1.00 0.00 C +ATOM 154 CA VAL A 154 510.437 652.020 563.849 1.00 0.00 C +ATOM 155 CA LEU A 155 513.404 650.238 562.257 1.00 0.00 C +ATOM 156 CA PRO A 156 514.510 646.843 563.586 1.00 0.00 C +ATOM 157 CA ARG A 157 514.651 644.173 560.871 1.00 0.00 C +ATOM 158 CA LYS A 158 516.172 641.123 559.169 1.00 0.00 C +ATOM 159 CA GLU A 159 513.718 640.014 556.473 1.00 0.00 C +ATOM 160 CA VAL A 160 509.988 639.239 556.543 1.00 0.00 C +ATOM 161 CA MET A 161 509.682 635.519 555.780 1.00 0.00 C +ATOM 162 CA ASP A 162 510.921 632.647 557.956 1.00 0.00 C +ATOM 163 CA ARG A 163 512.043 629.425 559.653 1.00 0.00 C +ATOM 164 CA ARG A 164 514.142 626.292 560.192 1.00 0.00 C +ATOM 165 CA GLY A 165 515.074 623.225 562.251 1.00 0.00 C +ATOM 166 CA PRO A 166 518.062 622.261 564.408 1.00 0.00 C +ATOM 167 CA SER A 167 519.044 619.172 566.411 1.00 0.00 C +ATOM 168 CA LEU A 168 521.718 616.696 565.298 1.00 0.00 C +ATOM 169 CA ASP A 169 525.031 615.634 563.746 1.00 0.00 C +ATOM 170 CA PRO A 170 527.092 617.621 561.232 1.00 0.00 C +ATOM 171 CA HIS A 171 530.327 619.538 560.618 1.00 0.00 C +ATOM 172 CA LEU A 172 533.425 621.743 560.853 1.00 0.00 C +ATOM 173 CA ARG A 173 536.638 619.716 561.139 1.00 0.00 C +ATOM 174 CA PRO A 174 537.467 617.659 564.237 1.00 0.00 C +ATOM 175 CA ARG A 175 539.730 614.601 564.023 1.00 0.00 C +ATOM 176 CA VAL A 176 540.626 611.226 562.500 1.00 0.00 C +ATOM 177 CA GLU A 177 540.942 607.479 561.883 1.00 0.00 C +ATOM 178 CA PRO A 178 541.777 604.291 563.794 1.00 0.00 C +ATOM 179 CA SER A 179 541.647 600.842 565.409 1.00 0.00 C +ATOM 180 CA ALA A 180 545.068 599.273 564.817 1.00 0.00 C +ATOM 181 CA SER A 181 547.660 596.515 565.251 1.00 0.00 C +ATOM 182 CA SER A 182 550.870 595.029 566.667 1.00 0.00 C +ATOM 183 CA ALA A 183 551.286 591.715 568.501 1.00 0.00 C +ATOM 184 CA TYR A 184 551.398 588.411 566.608 1.00 0.00 C +ATOM 185 CA HIS A 185 551.524 588.815 562.822 1.00 0.00 C +ATOM 186 CA GLN A 186 554.975 590.082 561.825 1.00 0.00 C +ATOM 187 CA LEU A 187 556.246 591.219 558.417 1.00 0.00 C +ATOM 188 CA SER A 188 556.537 589.710 554.931 1.00 0.00 C +ATOM 189 CA SER A 189 559.946 588.925 553.422 1.00 0.00 C +ATOM 190 CA ILE A 190 559.757 586.062 550.915 1.00 0.00 C +ATOM 191 CA ASP A 191 558.388 585.705 547.377 1.00 0.00 C +ATOM 192 CA ASN A 192 555.815 587.620 545.321 1.00 0.00 C +ATOM 193 CA ASP A 193 553.186 588.836 547.796 1.00 0.00 C +ATOM 194 CA SER A 194 550.294 590.044 545.629 1.00 0.00 C +ATOM 195 CA VAL A 195 547.952 590.070 542.624 1.00 0.00 C +ATOM 196 CA ASP A 196 545.251 591.213 540.192 1.00 0.00 C +ATOM 197 CA GLN A 197 545.690 592.907 536.808 1.00 0.00 C +ATOM 198 CA ASN A 198 547.949 595.944 537.239 1.00 0.00 C +ATOM 199 CA GLU A 199 547.018 598.740 539.655 1.00 0.00 C +ATOM 200 CA TYR A 200 544.575 598.745 542.578 1.00 0.00 C +ATOM 201 CA ASP A 201 546.469 597.302 545.553 1.00 0.00 C +ATOM 202 CA GLN A 202 546.757 597.665 549.335 1.00 0.00 C +ATOM 203 CA ALA A 203 547.807 600.483 551.674 1.00 0.00 C +ATOM 204 CA GLY A 204 548.337 604.254 551.550 1.00 0.00 C +ATOM 205 CA SER A 205 550.874 607.057 552.024 1.00 0.00 C +ATOM 206 CA PRO A 206 553.089 607.897 549.040 1.00 0.00 C +ATOM 207 CA ASP A 207 552.544 611.469 547.832 1.00 0.00 C +ATOM 208 CA PRO A 208 549.227 612.958 546.693 1.00 0.00 C +ATOM 209 CA LYS A 209 548.564 616.469 548.016 1.00 0.00 C +ATOM 210 CA ALA A 210 551.182 618.496 549.901 1.00 0.00 C +ATOM 211 CA VAL A 211 552.713 621.814 548.822 1.00 0.00 C +ATOM 212 CA SER A 212 555.745 623.748 547.563 1.00 0.00 C +ATOM 213 CA SER A 213 557.959 621.247 545.730 1.00 0.00 C +ATOM 214 CA PRO A 214 559.229 618.270 543.721 1.00 0.00 C +ATOM 215 CA SER A 215 558.861 614.691 544.975 1.00 0.00 C +ATOM 216 CA SER A 216 560.827 612.266 547.160 1.00 0.00 C +ATOM 217 CA PRO A 217 563.936 611.137 545.269 1.00 0.00 C +ATOM 218 CA LYS A 218 565.919 608.829 542.976 1.00 0.00 C +ATOM 219 CA ASN A 219 569.330 608.664 541.286 1.00 0.00 C +ATOM 220 CA PRO A 220 572.299 608.280 543.642 1.00 0.00 C +ATOM 221 CA ALA A 221 571.933 610.309 546.845 1.00 0.00 C +ATOM 222 CA ARG A 222 571.361 614.060 547.189 1.00 0.00 C +ATOM 223 CA SER A 223 571.947 615.667 550.594 1.00 0.00 C +ATOM 224 CA ARG A 224 574.406 614.395 553.211 1.00 0.00 C +ATOM 225 CA LEU A 225 573.619 611.469 555.521 1.00 0.00 C +ATOM 226 CA THR A 226 569.942 610.570 555.952 1.00 0.00 C +ATOM 227 CA SER A 227 567.428 607.775 555.330 1.00 0.00 C +ATOM 228 CA VAL A 228 563.806 608.060 554.183 1.00 0.00 C +ATOM 229 CA PRO A 229 561.111 606.656 551.885 1.00 0.00 C +ATOM 230 CA SER A 230 559.905 603.234 550.722 1.00 0.00 C +ATOM 231 CA ARG A 231 562.152 600.722 548.946 1.00 0.00 C +ATOM 232 CA HIS A 232 565.567 600.380 550.599 1.00 0.00 C +ATOM 233 CA ALA A 233 566.039 597.416 552.946 1.00 0.00 C +ATOM 234 CA ALA A 234 568.346 594.410 552.548 1.00 0.00 C +ATOM 235 CA SER A 235 568.525 591.110 554.444 1.00 0.00 C +ATOM 236 CA ASN A 236 569.318 589.291 557.696 1.00 0.00 C +ATOM 237 CA MET A 237 566.694 589.379 560.458 1.00 0.00 C +ATOM 238 CA LEU A 238 565.921 587.600 563.737 1.00 0.00 C +ATOM 239 CA ARG A 239 563.792 584.451 563.485 1.00 0.00 C +ATOM 240 CA ASP A 240 565.302 581.955 565.936 1.00 0.00 C +ATOM 241 CA LYS A 241 566.305 582.667 569.542 1.00 0.00 C +ATOM 242 CA SER A 242 563.959 582.533 572.541 1.00 0.00 C +ATOM 243 CA ARG A 243 560.858 584.207 573.990 1.00 0.00 C +ATOM 244 CA MET A 244 558.731 581.937 576.190 1.00 0.00 C +ATOM 245 CA GLN A 245 558.266 581.937 579.971 1.00 0.00 C +ATOM 246 CA PRO A 246 560.833 579.821 581.829 1.00 0.00 C +ATOM 247 CA GLY A 247 564.225 578.087 581.830 1.00 0.00 C +ATOM 248 CA THR A 248 566.937 576.416 579.738 1.00 0.00 C +ATOM 249 CA LYS A 249 568.044 574.124 576.903 1.00 0.00 C +ATOM 250 CA ALA A 250 567.949 570.376 576.224 1.00 0.00 C +ATOM 251 CA SER A 251 569.792 568.296 573.618 1.00 0.00 C +ATOM 252 CA SER A 252 571.067 564.873 574.700 1.00 0.00 C +ATOM 253 CA SER A 253 572.613 561.621 573.455 1.00 0.00 C +ATOM 254 CA SER A 254 573.077 557.864 573.022 1.00 0.00 C +ATOM 255 CA ALA A 255 573.922 555.134 570.503 1.00 0.00 C +ATOM 256 CA SER A 256 577.678 555.438 569.941 1.00 0.00 C +ATOM 257 CA SER A 257 581.430 554.865 569.612 1.00 0.00 C +ATOM 258 CA GLN A 258 583.575 552.406 567.645 1.00 0.00 C +ATOM 259 CA SER A 259 581.826 549.038 567.989 1.00 0.00 C +ATOM 260 CA HIS A 260 578.258 547.890 568.673 1.00 0.00 C +ATOM 261 CA SER A 261 575.538 549.312 566.416 1.00 0.00 C +ATOM 262 CA SER A 262 574.702 548.482 562.793 1.00 0.00 C +ATOM 263 CA THR A 263 574.685 544.789 561.854 1.00 0.00 C +ATOM 264 CA SER A 264 577.671 543.718 559.743 1.00 0.00 C +ATOM 265 CA GLU A 265 579.001 544.207 556.207 1.00 0.00 C +ATOM 266 CA GLU A 266 580.275 546.480 553.427 1.00 0.00 C +ATOM 267 CA ASP A 267 582.690 549.335 552.698 1.00 0.00 C +ATOM 268 CA SER A 268 585.536 549.288 555.230 1.00 0.00 C +ATOM 269 CA SER A 269 586.296 548.988 558.951 1.00 0.00 C +ATOM 270 CA ALA A 270 587.997 546.246 560.977 1.00 0.00 C +ATOM 271 CA ALA A 271 590.937 547.738 562.887 1.00 0.00 C +ATOM 272 CA ALA A 272 593.478 544.904 563.049 1.00 0.00 C +ATOM 273 CA GLN A 273 597.026 545.834 564.083 1.00 0.00 C +ATOM 274 CA PRO A 274 600.185 546.693 566.032 1.00 0.00 C +ATOM 275 CA ARG A 275 602.575 547.697 568.824 1.00 0.00 C +ATOM 276 CA SER A 276 605.906 545.862 569.054 1.00 0.00 C +ATOM 277 CA HIS A 277 606.331 544.149 572.431 1.00 0.00 C +ATOM 278 CA SER A 278 605.425 540.808 574.022 1.00 0.00 C +ATOM 279 CA LEU A 279 602.381 540.803 576.314 1.00 0.00 C +ATOM 280 CA LEU A 280 600.988 544.234 577.208 1.00 0.00 C +ATOM 281 CA GLN A 281 603.079 547.364 576.620 1.00 0.00 C +ATOM 282 CA GLY A 282 601.851 549.908 579.177 1.00 0.00 C +ATOM 283 CA GLY A 283 602.961 549.314 582.773 1.00 0.00 C +ATOM 284 CA SER A 284 605.988 550.138 584.934 1.00 0.00 C +ATOM 285 CA SER A 285 609.732 550.465 585.561 1.00 0.00 C +ATOM 286 CA ARG A 286 613.105 551.504 586.996 1.00 0.00 C +ATOM 287 CA PRO A 287 616.113 552.641 589.040 1.00 0.00 C +ATOM 288 CA ALA A 288 619.199 554.380 587.637 1.00 0.00 C +ATOM 289 CA LEU A 289 618.925 558.104 588.396 1.00 0.00 C +ATOM 290 CA SER A 290 619.371 559.539 591.897 1.00 0.00 C +ATOM 291 CA ARG A 291 617.047 561.061 594.504 1.00 0.00 C +ATOM 292 CA ASP A 292 614.339 563.725 594.801 1.00 0.00 C +ATOM 293 CA ARG A 293 611.355 562.575 592.729 1.00 0.00 C +ATOM 294 CA GLN A 294 611.551 560.091 589.847 1.00 0.00 C +ATOM 295 CA ASP A 295 611.088 556.340 590.325 1.00 0.00 C +ATOM 296 CA VAL A 296 609.536 555.351 593.661 1.00 0.00 C +ATOM 297 CA HIS A 297 606.732 557.880 594.174 1.00 0.00 C +ATOM 298 CA ALA A 298 604.912 556.849 597.359 1.00 0.00 C +ATOM 299 CA SER A 299 606.868 556.322 600.586 1.00 0.00 C +ATOM 300 CA SER A 300 610.394 555.787 601.927 1.00 0.00 C +ATOM 301 CA SER A 301 613.936 555.205 603.202 1.00 0.00 C +ATOM 302 CA ARG A 302 615.649 555.725 606.565 1.00 0.00 C +ATOM 303 CA MET A 303 615.351 558.647 608.992 1.00 0.00 C +ATOM 304 CA PRO A 304 616.103 562.355 609.442 1.00 0.00 C +ATOM 305 CA SER A 305 616.606 566.112 609.824 1.00 0.00 C +ATOM 306 CA GLN A 306 619.907 566.667 611.644 1.00 0.00 C +ATOM 307 CA THR A 307 621.846 566.355 614.909 1.00 0.00 C +ATOM 308 CA VAL A 308 625.573 566.439 614.124 1.00 0.00 C +ATOM 309 CA SER A 309 627.414 569.015 612.005 1.00 0.00 C +ATOM 310 CA SER A 310 630.400 569.545 609.698 1.00 0.00 C +ATOM 311 CA SER A 311 633.465 570.311 611.828 1.00 0.00 C +ATOM 312 CA ARG A 312 635.083 566.911 612.409 1.00 0.00 C +ATOM 313 CA PRO A 313 637.329 563.966 613.301 1.00 0.00 C +ATOM 314 CA SER A 314 636.738 560.629 615.042 1.00 0.00 C +ATOM 315 CA ALA A 315 634.815 559.856 618.239 1.00 0.00 C +ATOM 316 CA LEU A 316 631.153 560.507 619.063 1.00 0.00 C +ATOM 317 CA THR A 317 629.964 562.337 622.186 1.00 0.00 C +ATOM 318 CA GLU A 318 628.903 560.419 625.303 1.00 0.00 C +ATOM 319 CA GLY A 319 626.084 559.945 627.821 1.00 0.00 C +ATOM 320 CA SER A 320 626.026 557.924 631.050 1.00 0.00 C +ATOM 321 CA GLU A 321 629.635 556.966 631.810 1.00 0.00 C +ATOM 322 CA GLU A 322 630.984 554.480 634.363 1.00 0.00 C +ATOM 323 CA GLU A 323 633.708 553.758 636.926 1.00 0.00 C +ATOM 324 CA ASP A 324 636.951 554.891 638.574 1.00 0.00 C +ATOM 325 CA THR A 325 639.428 556.150 635.968 1.00 0.00 C +ATOM 326 CA SER A 326 639.835 555.653 632.212 1.00 0.00 C +ATOM 327 CA ASP A 327 637.490 558.219 630.651 1.00 0.00 C +ATOM 328 CA GLY A 328 637.923 561.611 628.970 1.00 0.00 C +ATOM 329 CA GLY A 329 639.640 564.318 626.913 1.00 0.00 C +ATOM 330 CA ALA A 330 642.574 566.488 625.816 1.00 0.00 C +ATOM 331 CA ASP A 331 646.089 565.039 625.571 1.00 0.00 C +ATOM 332 CA ILE A 332 649.126 563.909 627.576 1.00 0.00 C +ATOM 333 CA ASP A 333 651.824 562.946 630.087 1.00 0.00 C +ATOM 334 CA ARG A 334 655.534 563.418 630.813 1.00 0.00 C +ATOM 335 CA VAL A 335 657.230 560.095 630.039 1.00 0.00 C +ATOM 336 CA ALA A 336 660.948 559.885 629.234 1.00 0.00 C +ATOM 337 CA GLY A 337 663.857 558.902 626.978 1.00 0.00 C +ATOM 338 CA ASP A 338 667.202 558.171 625.308 1.00 0.00 C +ATOM 339 CA THR A 339 669.751 560.511 626.902 1.00 0.00 C +ATOM 340 CA ARG A 340 670.601 563.795 625.168 1.00 0.00 C +ATOM 341 CA ARG A 341 674.047 565.329 624.630 1.00 0.00 C +ATOM 342 CA ARG A 342 677.009 565.138 622.242 1.00 0.00 C +ATOM 343 CA ALA A 343 680.343 566.537 623.445 1.00 0.00 C +ATOM 344 CA GLU A 344 683.602 565.299 624.981 1.00 0.00 C +ATOM 345 CA ALA A 345 686.630 563.772 623.244 1.00 0.00 C +ATOM 346 CA THR A 346 690.056 562.803 621.888 1.00 0.00 C +ATOM 347 CA ALA A 347 693.123 563.190 619.661 1.00 0.00 C +ATOM 348 CA GLN A 348 695.412 566.227 619.894 1.00 0.00 C +ATOM 349 CA ILE A 349 698.692 568.042 619.212 1.00 0.00 C +ATOM 350 CA GLN A 350 700.269 568.160 615.746 1.00 0.00 C +ATOM 351 CA GLN A 351 702.411 565.505 614.050 1.00 0.00 C +ATOM 352 CA THR A 352 704.160 562.570 612.364 1.00 0.00 C +ATOM 353 CA ARG A 353 704.757 559.315 614.253 1.00 0.00 C +ATOM 354 CA PRO A 354 707.834 557.358 615.357 1.00 0.00 C +ATOM 355 CA ALA A 355 710.872 557.784 613.098 1.00 0.00 C +ATOM 356 CA LEU A 356 712.217 557.258 609.572 1.00 0.00 C +ATOM 357 CA GLY A 357 715.089 559.266 608.077 1.00 0.00 C +ATOM 358 CA HIS A 358 718.554 560.457 609.122 1.00 0.00 C +ATOM 359 CA PHE A 359 722.363 560.488 609.009 1.00 0.00 C +ATOM 360 CA SER A 360 726.168 560.291 608.988 1.00 0.00 C +ATOM 361 CA LEU A 361 729.135 558.427 607.493 1.00 0.00 C +ATOM 362 CA ILE A 362 728.102 554.889 606.529 1.00 0.00 C +ATOM 363 CA ARG A 363 726.426 551.484 606.861 1.00 0.00 C +ATOM 364 CA ASN A 364 728.267 548.331 607.953 1.00 0.00 C +ATOM 365 CA LYS A 365 730.000 544.941 607.819 1.00 0.00 C +ATOM 366 CA PRO A 366 727.649 542.290 609.219 1.00 0.00 C +ATOM 367 CA PHE A 367 725.282 543.763 611.815 1.00 0.00 C +ATOM 368 CA PRO A 368 723.267 546.723 613.119 1.00 0.00 C +ATOM 369 CA ALA A 369 720.297 548.273 614.932 1.00 0.00 C +ATOM 370 CA HIS A 370 717.978 551.094 613.843 1.00 0.00 C +ATOM 371 CA SER A 371 719.575 553.697 611.565 1.00 0.00 C +ATOM 372 CA ARG A 372 721.074 553.914 608.070 1.00 0.00 C +ATOM 373 CA ASN A 373 719.671 552.286 604.924 1.00 0.00 C +ATOM 374 CA PRO A 374 721.432 549.015 604.078 1.00 0.00 C +ATOM 375 CA SER A 375 724.637 547.342 602.877 1.00 0.00 C +ATOM 376 CA ARG A 376 724.252 543.666 601.953 1.00 0.00 C +ATOM 377 CA PHE A 377 725.052 541.552 598.887 1.00 0.00 C +ATOM 378 CA PRO A 378 722.613 539.506 596.793 1.00 0.00 C +ATOM 379 CA LYS A 379 720.492 536.344 596.910 1.00 0.00 C +ATOM 380 CA LEU A 380 718.277 534.871 599.637 1.00 0.00 C +ATOM 381 CA ARG A 381 716.369 533.858 602.776 1.00 0.00 C +ATOM 382 CA GLY A 382 713.570 536.423 603.096 1.00 0.00 C +ATOM 383 CA PRO A 383 713.461 539.222 600.514 1.00 0.00 C +ATOM 384 CA ARG A 384 714.828 541.506 597.788 1.00 0.00 C +ATOM 385 CA LEU A 385 716.292 544.531 595.994 1.00 0.00 C +ATOM 386 CA GLN A 386 715.243 548.017 597.118 1.00 0.00 C +ATOM 387 CA PRO A 387 712.480 548.672 599.658 1.00 0.00 C +ATOM 388 CA SER A 388 710.335 545.523 599.668 1.00 0.00 C +ATOM 389 CA ARG A 389 708.211 543.141 601.749 1.00 0.00 C +ATOM 390 CA SER A 390 705.862 542.926 604.742 1.00 0.00 C +ATOM 391 CA PRO A 391 703.725 539.976 605.858 1.00 0.00 C +ATOM 392 CA GLN A 392 700.091 538.993 605.271 1.00 0.00 C +ATOM 393 CA SER A 393 697.432 538.681 607.982 1.00 0.00 C +ATOM 394 CA THR A 394 697.271 536.772 611.276 1.00 0.00 C +ATOM 395 CA SER A 395 697.191 536.839 615.084 1.00 0.00 C +ATOM 396 CA ALA A 396 697.957 540.393 616.221 1.00 0.00 C +ATOM 397 CA SER A 397 698.791 542.700 619.136 1.00 0.00 C +ATOM 398 CA LYS A 398 698.464 545.449 621.755 1.00 0.00 C +ATOM 399 CA VAL A 399 695.915 548.093 620.744 1.00 0.00 C +ATOM 400 CA LEU A 400 692.255 547.541 619.838 1.00 0.00 C +ATOM 401 CA THR A 401 692.375 545.632 616.543 1.00 0.00 C +ATOM 402 CA ARG A 402 690.687 542.768 614.681 1.00 0.00 C +ATOM 403 CA ALA A 403 688.129 542.743 611.858 1.00 0.00 C +ATOM 404 CA PRO A 404 685.771 544.772 609.658 1.00 0.00 C +ATOM 405 CA SER A 405 686.837 548.429 609.693 1.00 0.00 C +ATOM 406 CA LEU A 406 690.422 549.055 608.563 1.00 0.00 C +ATOM 407 CA PRO A 407 691.381 549.932 604.981 1.00 0.00 C +ATOM 408 CA ALA A 408 693.722 550.922 602.143 1.00 0.00 C +ATOM 409 CA SER A 409 694.544 548.556 599.273 1.00 0.00 C +ATOM 410 CA HIS A 410 697.121 548.631 596.467 1.00 0.00 C +ATOM 411 CA THR A 411 700.392 547.530 594.854 1.00 0.00 C +ATOM 412 CA ARG A 412 703.653 546.889 596.717 1.00 0.00 C +ATOM 413 CA PRO A 413 703.579 543.230 597.776 1.00 0.00 C +ATOM 414 CA GLY A 414 700.891 541.212 599.570 1.00 0.00 C +ATOM 415 CA SER A 415 699.967 537.518 599.439 1.00 0.00 C +ATOM 416 CA ASP A 416 702.942 535.612 600.864 1.00 0.00 C +ATOM 417 CA VAL A 417 701.824 533.435 603.784 1.00 0.00 C +ATOM 418 CA TYR A 418 699.883 530.672 605.548 1.00 0.00 C +ATOM 419 CA GLY A 419 698.438 528.200 603.034 1.00 0.00 C +ATOM 420 CA ASP A 420 696.977 527.378 599.612 1.00 0.00 C +ATOM 421 CA GLY A 421 693.281 526.790 598.895 1.00 0.00 C +ATOM 422 CA GLU A 422 691.940 527.160 595.348 1.00 0.00 C +ATOM 423 CA ASP A 423 688.139 526.976 595.524 1.00 0.00 C +ATOM 424 CA GLU A 424 685.786 525.556 592.886 1.00 0.00 C +ATOM 425 CA GLU A 425 685.352 521.786 593.229 1.00 0.00 C +ATOM 426 CA PRO A 426 686.797 518.729 594.984 1.00 0.00 C +ATOM 427 CA LEU A 427 688.419 515.597 596.427 1.00 0.00 C +ATOM 428 CA PRO A 428 691.404 513.501 595.324 1.00 0.00 C +ATOM 429 CA ALA A 429 694.330 511.570 596.815 1.00 0.00 C +ATOM 430 CA THR A 430 695.913 508.193 596.034 1.00 0.00 C +ATOM 431 CA VAL A 431 695.175 506.904 592.526 1.00 0.00 C +ATOM 432 CA VAL A 432 696.366 508.719 589.396 1.00 0.00 C +ATOM 433 CA ASN A 433 699.561 510.793 589.471 1.00 0.00 C +ATOM 434 CA ASP A 434 699.926 513.699 591.908 1.00 0.00 C +ATOM 435 CA ARG A 435 699.240 517.261 593.075 1.00 0.00 C +ATOM 436 CA THR A 436 695.505 517.833 593.564 1.00 0.00 C +ATOM 437 CA PRO A 437 694.648 519.192 597.018 1.00 0.00 C +ATOM 438 CA SER A 438 696.722 517.939 599.959 1.00 0.00 C +ATOM 439 CA SER A 439 699.262 516.228 602.225 1.00 0.00 C +ATOM 440 CA SER A 440 699.358 512.693 603.643 1.00 0.00 C +ATOM 441 CA SER A 441 701.991 510.794 605.638 1.00 0.00 C +ATOM 442 CA HIS A 442 705.541 510.185 604.397 1.00 0.00 C +ATOM 443 CA PRO A 443 707.319 510.465 601.039 1.00 0.00 C +ATOM 444 CA ILE A 444 705.832 509.608 597.638 1.00 0.00 C +ATOM 445 CA SER A 445 703.589 509.714 594.560 1.00 0.00 C +ATOM 446 CA GLY A 446 701.894 506.311 594.312 1.00 0.00 C +ATOM 447 CA GLY A 447 702.831 503.369 596.543 1.00 0.00 C +ATOM 448 CA SER A 448 702.824 499.725 595.428 1.00 0.00 C +ATOM 449 CA ASP A 449 703.756 496.363 596.959 1.00 0.00 C +ATOM 450 CA THR A 450 703.230 493.348 594.689 1.00 0.00 C +ATOM 451 CA LEU A 451 699.733 491.946 594.123 1.00 0.00 C +ATOM 452 CA ARG A 452 696.282 492.032 592.511 1.00 0.00 C +ATOM 453 CA ARG A 453 693.055 492.191 594.531 1.00 0.00 C +ATOM 454 CA GLY A 454 693.258 491.127 598.183 1.00 0.00 C +ATOM 455 CA SER A 455 696.216 491.341 600.576 1.00 0.00 C +ATOM 456 CA GLN A 456 698.261 491.496 603.787 1.00 0.00 C +ATOM 457 CA ARG A 457 701.681 492.227 605.299 1.00 0.00 C +ATOM 458 CA GLY A 458 704.647 493.088 603.069 1.00 0.00 C +ATOM 459 CA ALA A 459 707.573 492.541 600.690 1.00 0.00 C +ATOM 460 CA SER A 460 710.312 495.182 600.487 1.00 0.00 C +ATOM 461 CA LEU A 461 713.695 493.829 601.597 1.00 0.00 C +ATOM 462 CA TYR A 462 714.600 490.138 601.876 1.00 0.00 C +ATOM 463 CA ARG A 463 716.165 489.693 605.322 1.00 0.00 C +ATOM 464 CA LYS A 464 715.593 490.976 608.863 1.00 0.00 C +ATOM 465 CA GLU A 465 715.180 488.863 612.006 1.00 0.00 C +ATOM 466 CA PRO A 466 714.723 486.624 615.055 1.00 0.00 C +ATOM 467 CA ILE A 467 713.125 483.274 615.914 1.00 0.00 C +ATOM 468 CA PRO A 468 713.322 479.726 614.537 1.00 0.00 C +ATOM 469 CA GLU A 469 714.813 480.170 611.059 1.00 0.00 C +ATOM 470 CA ASN A 470 718.132 481.004 609.385 1.00 0.00 C +ATOM 471 CA SER A 471 719.578 483.805 607.245 1.00 0.00 C +ATOM 472 CA LYS A 472 723.216 483.160 606.312 1.00 0.00 C +ATOM 473 CA ALA A 473 725.409 486.087 607.380 1.00 0.00 C +ATOM 474 CA ALA A 474 728.829 486.754 608.922 1.00 0.00 C +ATOM 475 CA GLY A 475 728.635 488.769 612.150 1.00 0.00 C +ATOM 476 CA ALA A 476 729.192 491.817 614.368 1.00 0.00 C +ATOM 477 CA ASP A 477 727.748 495.033 615.812 1.00 0.00 C +ATOM 478 CA VAL A 478 728.468 496.320 619.325 1.00 0.00 C +ATOM 479 CA HIS A 479 729.477 499.055 621.779 1.00 0.00 C +ATOM 480 CA PRO A 480 727.543 501.595 623.858 1.00 0.00 C +ATOM 481 CA GLY A 481 724.099 500.762 625.257 1.00 0.00 C +ATOM 482 CA GLY A 482 722.254 498.484 622.823 1.00 0.00 C +ATOM 483 CA LYS A 483 718.587 497.616 622.261 1.00 0.00 C +ATOM 484 CA SER A 484 714.999 496.564 622.994 1.00 0.00 C +ATOM 485 CA PRO A 485 712.286 498.683 624.626 1.00 0.00 C +ATOM 486 CA LEU A 486 708.525 499.268 624.457 1.00 0.00 C +ATOM 487 CA SER A 487 707.911 501.037 621.139 1.00 0.00 C +TER 488 SER A 487 +END diff --git a/Mammals/Q5DU21/Q5DU21.dcd b/Mammals/Q5DU21/Q5DU21.dcd new file mode 100644 index 0000000000000000000000000000000000000000..7c8d04e3aa22e44b78500388634d129d84265fbe --- /dev/null +++ b/Mammals/Q5DU21/Q5DU21.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:775448f30044a9966a3581c5372d5c9c8cf7fbdd8cd30c5800966275f4a1e4f4 +size 11120276 diff --git a/Mammals/Q5DU21/top.pdb b/Mammals/Q5DU21/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..372f0ff5b9d8c468406a5d18042f6833ad5709ac --- /dev/null +++ b/Mammals/Q5DU21/top.pdb @@ -0,0 +1,90 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ARG A 1 229.852 194.132 246.881 1.00 0.00 C +ATOM 2 CA GLY A 2 228.148 195.731 249.890 1.00 0.00 C +ATOM 3 CA GLU A 3 228.066 199.350 251.077 1.00 0.00 C +ATOM 4 CA VAL A 4 227.089 201.832 253.798 1.00 0.00 C +ATOM 5 CA ARG A 5 229.063 205.021 253.126 1.00 0.00 C +ATOM 6 CA LEU A 6 232.597 205.903 254.242 1.00 0.00 C +ATOM 7 CA ASN A 7 235.417 208.377 254.910 1.00 0.00 C +ATOM 8 CA VAL A 8 236.433 212.048 254.816 1.00 0.00 C +ATOM 9 CA GLU A 9 239.424 213.061 256.947 1.00 0.00 C +ATOM 10 CA GLU A 10 242.057 215.803 256.686 1.00 0.00 C +ATOM 11 CA LYS A 11 241.949 219.495 257.619 1.00 0.00 C +ATOM 12 CA LYS A 12 239.573 222.470 257.490 1.00 0.00 C +ATOM 13 CA THR A 13 237.106 224.592 255.507 1.00 0.00 C +ATOM 14 CA ARG A 14 236.768 228.028 253.895 1.00 0.00 C +ATOM 15 CA ALA A 15 236.201 231.781 254.215 1.00 0.00 C +ATOM 16 CA ALA A 16 238.459 234.074 256.256 1.00 0.00 C +ATOM 17 CA ARG A 17 240.314 237.118 254.911 1.00 0.00 C +ATOM 18 CA GLU A 18 242.706 238.067 252.101 1.00 0.00 C +ATOM 19 CA ARG A 19 244.259 239.950 249.176 1.00 0.00 C +ATOM 20 CA GLU A 20 243.733 243.659 249.871 1.00 0.00 C +ATOM 21 CA THR A 21 243.827 245.571 246.576 1.00 0.00 C +ATOM 22 CA ARG A 22 247.518 245.839 245.670 1.00 0.00 C +ATOM 23 CA GLY A 23 249.233 249.019 244.458 1.00 0.00 C +ATOM 24 CA GLY A 24 250.452 251.885 242.263 1.00 0.00 C +ATOM 25 CA GLY A 25 248.276 254.961 241.702 1.00 0.00 C +ATOM 26 CA ASP A 26 248.695 257.384 244.613 1.00 0.00 C +ATOM 27 CA ASP A 27 247.723 259.574 247.575 1.00 0.00 C +ATOM 28 CA ARG A 28 246.347 259.123 251.100 1.00 0.00 C +ATOM 29 CA ARG A 29 245.985 256.679 254.000 1.00 0.00 C +ATOM 30 CA ASP A 30 247.534 253.279 254.747 1.00 0.00 C +ATOM 31 CA ILE A 31 247.459 250.211 252.489 1.00 0.00 C +ATOM 32 CA ARG A 32 248.285 246.621 253.463 1.00 0.00 C +ATOM 33 CA ARG A 33 251.944 245.782 252.814 1.00 0.00 C +ATOM 34 CA ASN A 34 255.408 245.340 254.339 1.00 0.00 C +ATOM 35 CA ASP A 35 257.894 248.174 253.785 1.00 0.00 C +ATOM 36 CA ARG A 36 261.586 248.406 252.874 1.00 0.00 C +ATOM 37 CA GLY A 37 263.299 249.793 249.767 1.00 0.00 C +ATOM 38 CA PRO A 38 266.067 252.325 249.099 1.00 0.00 C +ATOM 39 CA GLY A 39 267.410 254.728 251.732 1.00 0.00 C +ATOM 40 CA GLY A 40 265.415 255.185 254.945 1.00 0.00 C +ATOM 41 CA PRO A 41 264.302 257.780 257.503 1.00 0.00 C +ATOM 42 CA ARG A 42 263.556 261.348 256.391 1.00 0.00 C +ATOM 43 CA GLY A 43 262.079 264.726 257.351 1.00 0.00 C +ATOM 44 CA ILE A 44 262.918 265.149 261.044 1.00 0.00 C +ATOM 45 CA VAL A 45 261.279 266.747 264.090 1.00 0.00 C +ATOM 46 CA GLY A 46 263.489 267.231 267.156 1.00 0.00 C +ATOM 47 CA GLY A 47 264.575 270.753 268.121 1.00 0.00 C +ATOM 48 CA GLY A 48 263.557 273.082 265.283 1.00 0.00 C +ATOM 49 CA MET A 49 264.423 276.657 264.288 1.00 0.00 C +ATOM 50 CA MET A 50 263.196 279.748 266.147 1.00 0.00 C +ATOM 51 CA ARG A 51 260.131 281.693 267.304 1.00 0.00 C +ATOM 52 CA ASP A 52 256.947 280.690 265.468 1.00 0.00 C +ATOM 53 CA ARG A 53 253.640 281.053 263.610 1.00 0.00 C +ATOM 54 CA ASP A 54 251.633 280.651 260.397 1.00 0.00 C +ATOM 55 CA GLY A 55 250.366 277.482 258.703 1.00 0.00 C +ATOM 56 CA ARG A 56 248.273 274.857 256.901 1.00 0.00 C +ATOM 57 CA GLY A 57 249.634 274.628 253.350 1.00 0.00 C +ATOM 58 CA PRO A 58 248.639 271.551 251.335 1.00 0.00 C +ATOM 59 CA PRO A 59 245.323 269.899 250.448 1.00 0.00 C +ATOM 60 CA PRO A 60 244.785 267.252 247.760 1.00 0.00 C +ATOM 61 CA ARG A 61 244.405 265.755 244.277 1.00 0.00 C +ATOM 62 CA GLY A 62 247.933 265.188 242.955 1.00 0.00 C +ATOM 63 CA GLY A 63 251.114 264.987 245.042 1.00 0.00 C +ATOM 64 CA MET A 64 251.815 264.287 248.721 1.00 0.00 C +ATOM 65 CA THR A 65 253.917 261.500 250.246 1.00 0.00 C +ATOM 66 CA GLN A 66 257.054 260.246 252.008 1.00 0.00 C +ATOM 67 CA LYS A 67 259.898 257.738 251.638 1.00 0.00 C +ATOM 68 CA LEU A 68 261.441 256.177 248.523 1.00 0.00 C +ATOM 69 CA GLY A 69 261.128 255.022 244.906 1.00 0.00 C +ATOM 70 CA SER A 70 258.710 253.224 242.575 1.00 0.00 C +ATOM 71 CA GLY A 71 256.944 250.265 244.202 1.00 0.00 C +ATOM 72 CA ARG A 72 258.658 246.946 243.453 1.00 0.00 C +ATOM 73 CA GLY A 73 257.977 244.796 240.382 1.00 0.00 C +ATOM 74 CA THR A 74 256.294 245.769 237.105 1.00 0.00 C +ATOM 75 CA GLY A 75 253.942 248.447 235.759 1.00 0.00 C +ATOM 76 CA GLN A 76 256.073 250.869 233.733 1.00 0.00 C +ATOM 77 CA MET A 77 257.634 254.207 232.762 1.00 0.00 C +ATOM 78 CA GLU A 78 256.847 257.733 231.554 1.00 0.00 C +ATOM 79 CA GLY A 79 253.931 259.687 233.036 1.00 0.00 C +ATOM 80 CA ARG A 80 250.512 258.930 234.538 1.00 0.00 C +ATOM 81 CA PHE A 81 249.112 256.101 232.405 1.00 0.00 C +ATOM 82 CA THR A 82 246.807 253.321 233.620 1.00 0.00 C +ATOM 83 CA GLY A 83 243.063 252.616 233.573 1.00 0.00 C +ATOM 84 CA GLN A 84 241.083 254.590 230.984 1.00 0.00 C +ATOM 85 CA ARG A 85 241.988 258.147 229.964 1.00 0.00 C +ATOM 86 CA ARG A 86 239.402 260.103 227.962 1.00 0.00 C +TER 87 ARG A 86 +END diff --git a/Mammals/Q5E9B2/Q5E9B2.dcd b/Mammals/Q5E9B2/Q5E9B2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..49efc480a7ba5dabf3c968c4eaea578a0e805ad8 --- /dev/null +++ b/Mammals/Q5E9B2/Q5E9B2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4b5e35db29e922d1aa91c5a11520315382749c49eae564f091f805ce65f7be12 +size 14120276 diff --git a/Mammals/Q5E9B2/top.pdb b/Mammals/Q5E9B2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..480952fdce7671576b9e482465aacf7d694696eb --- /dev/null +++ b/Mammals/Q5E9B2/top.pdb @@ -0,0 +1,115 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 228.365 241.095 296.958 1.00 0.00 C +ATOM 2 CA VAL A 2 226.148 241.449 293.879 1.00 0.00 C +ATOM 3 CA ARG A 3 226.167 244.495 291.592 1.00 0.00 C +ATOM 4 CA THR A 4 226.189 245.964 288.076 1.00 0.00 C +ATOM 5 CA LYS A 5 224.034 245.272 285.012 1.00 0.00 C +ATOM 6 CA ALA A 6 223.092 242.170 283.011 1.00 0.00 C +ATOM 7 CA ASN A 7 223.955 240.582 279.657 1.00 0.00 C +ATOM 8 CA SER A 8 221.799 239.728 276.634 1.00 0.00 C +ATOM 9 CA VAL A 9 220.498 238.667 273.213 1.00 0.00 C +ATOM 10 CA PRO A 10 216.764 239.420 273.258 1.00 0.00 C +ATOM 11 CA GLY A 11 215.840 242.730 271.612 1.00 0.00 C +ATOM 12 CA SER A 12 217.612 246.101 271.491 1.00 0.00 C +ATOM 13 CA TYR A 13 214.900 248.752 271.127 1.00 0.00 C +ATOM 14 CA ARG A 14 215.657 251.977 269.244 1.00 0.00 C +ATOM 15 CA LYS A 15 213.535 254.500 267.335 1.00 0.00 C +ATOM 16 CA VAL A 16 213.306 256.891 264.377 1.00 0.00 C +ATOM 17 CA VAL A 17 213.440 260.651 264.977 1.00 0.00 C +ATOM 18 CA ALA A 18 210.881 263.253 263.883 1.00 0.00 C +ATOM 19 CA SER A 19 210.336 263.800 260.152 1.00 0.00 C +ATOM 20 CA ARG A 20 211.986 263.903 256.719 1.00 0.00 C +ATOM 21 CA ALA A 21 214.858 263.369 254.273 1.00 0.00 C +ATOM 22 CA PRO A 22 214.818 259.810 252.913 1.00 0.00 C +ATOM 23 CA ARG A 23 214.347 256.430 251.220 1.00 0.00 C +ATOM 24 CA LYS A 24 214.506 254.888 247.739 1.00 0.00 C +ATOM 25 CA VAL A 25 212.456 253.224 244.992 1.00 0.00 C +ATOM 26 CA LEU A 26 212.793 252.828 241.218 1.00 0.00 C +ATOM 27 CA GLY A 27 216.210 254.316 240.425 1.00 0.00 C +ATOM 28 CA SER A 28 219.097 255.101 242.783 1.00 0.00 C +ATOM 29 CA SER A 29 222.401 255.501 244.638 1.00 0.00 C +ATOM 30 CA THR A 30 225.533 255.014 246.752 1.00 0.00 C +ATOM 31 CA SER A 31 228.455 256.910 245.209 1.00 0.00 C +ATOM 32 CA ALA A 32 232.139 257.858 245.426 1.00 0.00 C +ATOM 33 CA ALA A 33 232.488 261.458 246.625 1.00 0.00 C +ATOM 34 CA ASN A 34 233.741 263.375 243.580 1.00 0.00 C +ATOM 35 CA SER A 35 232.429 263.636 240.013 1.00 0.00 C +ATOM 36 CA THR A 36 235.134 264.474 237.463 1.00 0.00 C +ATOM 37 CA PRO A 37 236.235 261.264 235.732 1.00 0.00 C +ATOM 38 CA LEU A 38 239.717 260.664 234.306 1.00 0.00 C +ATOM 39 CA SER A 39 240.569 259.979 230.656 1.00 0.00 C +ATOM 40 CA SER A 40 242.642 257.199 229.078 1.00 0.00 C +ATOM 41 CA ARG A 41 245.193 254.368 229.071 1.00 0.00 C +ATOM 42 CA LYS A 42 246.886 251.289 230.542 1.00 0.00 C +ATOM 43 CA ALA A 43 247.490 248.796 233.360 1.00 0.00 C +ATOM 44 CA GLU A 44 250.483 246.641 234.316 1.00 0.00 C +ATOM 45 CA ASN A 45 251.189 243.460 232.341 1.00 0.00 C +ATOM 46 CA LYS A 46 249.819 243.793 228.801 1.00 0.00 C +ATOM 47 CA TYR A 47 249.152 244.414 225.102 1.00 0.00 C +ATOM 48 CA ALA A 48 250.163 241.170 223.379 1.00 0.00 C +ATOM 49 CA GLY A 49 251.065 237.647 224.516 1.00 0.00 C +ATOM 50 CA GLY A 50 249.835 235.140 221.924 1.00 0.00 C +ATOM 51 CA ASN A 51 250.980 231.766 223.273 1.00 0.00 C +ATOM 52 CA PRO A 52 251.612 229.049 225.869 1.00 0.00 C +ATOM 53 CA VAL A 53 251.600 226.215 228.415 1.00 0.00 C +ATOM 54 CA CYS A 54 254.441 224.289 230.069 1.00 0.00 C +ATOM 55 CA VAL A 55 257.136 222.008 231.503 1.00 0.00 C +ATOM 56 CA ARG A 56 260.498 223.131 230.107 1.00 0.00 C +ATOM 57 CA PRO A 57 260.278 223.146 226.303 1.00 0.00 C +ATOM 58 CA THR A 58 257.674 223.821 223.605 1.00 0.00 C +ATOM 59 CA PRO A 59 257.785 227.382 222.255 1.00 0.00 C +ATOM 60 CA LYS A 60 260.508 229.902 221.391 1.00 0.00 C +ATOM 61 CA TRP A 61 264.095 228.665 221.743 1.00 0.00 C +ATOM 62 CA GLN A 62 267.874 229.111 221.918 1.00 0.00 C +ATOM 63 CA LYS A 63 269.178 232.335 223.475 1.00 0.00 C +ATOM 64 CA GLY A 64 266.698 233.478 226.132 1.00 0.00 C +ATOM 65 CA ILE A 65 266.494 234.446 229.811 1.00 0.00 C +ATOM 66 CA GLY A 66 267.154 231.525 232.166 1.00 0.00 C +ATOM 67 CA GLU A 67 270.141 230.919 234.452 1.00 0.00 C +ATOM 68 CA PHE A 68 271.718 230.504 237.895 1.00 0.00 C +ATOM 69 CA PHE A 69 269.948 228.837 240.828 1.00 0.00 C +ATOM 70 CA SER A 70 268.302 225.993 242.757 1.00 0.00 C +ATOM 71 CA LEU A 71 270.060 225.328 246.071 1.00 0.00 C +ATOM 72 CA SER A 72 271.004 226.397 249.604 1.00 0.00 C +ATOM 73 CA PRO A 73 269.848 224.983 252.948 1.00 0.00 C +ATOM 74 CA LYS A 74 267.062 226.378 255.140 1.00 0.00 C +ATOM 75 CA ASP A 75 264.989 228.818 257.205 1.00 0.00 C +ATOM 76 CA SER A 76 267.329 231.585 258.384 1.00 0.00 C +ATOM 77 CA GLU A 77 269.711 234.167 256.910 1.00 0.00 C +ATOM 78 CA LYS A 78 269.832 235.857 253.497 1.00 0.00 C +ATOM 79 CA GLU A 79 270.496 239.544 252.803 1.00 0.00 C +ATOM 80 CA ASN A 80 272.950 242.441 252.486 1.00 0.00 C +ATOM 81 CA ARG A 81 272.143 246.142 252.886 1.00 0.00 C +ATOM 82 CA ILE A 82 273.668 249.214 254.547 1.00 0.00 C +ATOM 83 CA PRO A 83 275.505 252.410 253.586 1.00 0.00 C +ATOM 84 CA GLU A 84 277.834 254.425 255.830 1.00 0.00 C +ATOM 85 CA GLU A 85 281.144 252.790 256.773 1.00 0.00 C +ATOM 86 CA ALA A 86 283.747 255.180 258.197 1.00 0.00 C +ATOM 87 CA GLY A 87 283.045 258.193 260.421 1.00 0.00 C +ATOM 88 CA SER A 88 281.249 261.041 262.203 1.00 0.00 C +ATOM 89 CA SER A 89 279.766 262.299 265.479 1.00 0.00 C +ATOM 90 CA GLY A 90 276.666 260.143 265.987 1.00 0.00 C +ATOM 91 CA LEU A 91 273.255 261.658 265.223 1.00 0.00 C +ATOM 92 CA GLY A 92 271.382 264.272 263.180 1.00 0.00 C +ATOM 93 CA LYS A 93 268.787 266.200 261.164 1.00 0.00 C +ATOM 94 CA ALA A 94 265.055 266.732 260.609 1.00 0.00 C +ATOM 95 CA LYS A 95 261.834 267.209 258.631 1.00 0.00 C +ATOM 96 CA ARG A 96 260.158 270.323 260.050 1.00 0.00 C +ATOM 97 CA LYS A 97 261.792 273.384 258.477 1.00 0.00 C +ATOM 98 CA ALA A 98 262.647 275.950 261.160 1.00 0.00 C +ATOM 99 CA CYS A 99 262.665 277.342 264.707 1.00 0.00 C +ATOM 100 CA PRO A 100 265.976 277.406 266.592 1.00 0.00 C +ATOM 101 CA LEU A 101 268.505 279.379 264.535 1.00 0.00 C +ATOM 102 CA PRO A 102 269.223 277.924 261.088 1.00 0.00 C +ATOM 103 CA PRO A 103 270.328 274.332 260.459 1.00 0.00 C +ATOM 104 CA ASP A 104 271.282 271.533 258.057 1.00 0.00 C +ATOM 105 CA HIS A 105 270.963 269.614 254.781 1.00 0.00 C +ATOM 106 CA THR A 106 271.234 269.467 250.983 1.00 0.00 C +ATOM 107 CA ASP A 107 270.982 271.520 247.783 1.00 0.00 C +ATOM 108 CA ASP A 108 270.742 275.217 248.671 1.00 0.00 C +ATOM 109 CA GLU A 109 271.886 278.595 250.012 1.00 0.00 C +ATOM 110 CA LYS A 110 275.312 279.798 248.857 1.00 0.00 C +ATOM 111 CA GLU A 111 277.480 282.874 249.454 1.00 0.00 C +TER 112 GLU A 111 +END diff --git a/Mammals/Q5EB75/Q5EB75.dcd b/Mammals/Q5EB75/Q5EB75.dcd new file mode 100644 index 0000000000000000000000000000000000000000..544a691717995e4c08c7d54a3e69480cf0333274 --- /dev/null +++ b/Mammals/Q5EB75/Q5EB75.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2113a736233b4182637e1d22099e5f62d8805c12dd570f63af2db5fcaaef3f09 +size 48720276 diff --git a/Mammals/Q5EB75/top.pdb b/Mammals/Q5EB75/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f2f94d42451a532c6d33d4da3a72ceca4be970e2 --- /dev/null +++ b/Mammals/Q5EB75/top.pdb @@ -0,0 +1,268 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LEU A 1 303.613 176.187 281.671 1.00 0.00 C +ATOM 2 CA ILE A 2 302.612 179.832 282.149 1.00 0.00 C +ATOM 3 CA CYS A 3 303.174 181.363 285.592 1.00 0.00 C +ATOM 4 CA LYS A 4 305.315 183.527 287.884 1.00 0.00 C +ATOM 5 CA MET A 5 303.297 185.569 290.388 1.00 0.00 C +ATOM 6 CA GLY A 6 300.343 184.636 292.607 1.00 0.00 C +ATOM 7 CA GLU A 7 297.490 186.812 293.888 1.00 0.00 C +ATOM 8 CA ARG A 8 293.851 187.055 292.785 1.00 0.00 C +ATOM 9 CA ALA A 9 290.867 189.224 293.737 1.00 0.00 C +ATOM 10 CA SER A 10 287.371 189.834 292.351 1.00 0.00 C +ATOM 11 CA HIS A 11 285.695 188.201 289.345 1.00 0.00 C +ATOM 12 CA SER A 12 287.180 185.884 286.710 1.00 0.00 C +ATOM 13 CA SER A 13 285.377 185.234 283.418 1.00 0.00 C +ATOM 14 CA ASP A 14 286.537 187.585 280.653 1.00 0.00 C +ATOM 15 CA ARG A 15 283.763 189.913 279.470 1.00 0.00 C +ATOM 16 CA ARG A 16 281.122 190.096 282.210 1.00 0.00 C +ATOM 17 CA HIS A 17 280.415 193.463 283.846 1.00 0.00 C +ATOM 18 CA ALA A 18 280.806 195.649 286.942 1.00 0.00 C +ATOM 19 CA PRO A 19 278.494 196.907 289.697 1.00 0.00 C +ATOM 20 CA PRO A 20 277.032 200.294 288.745 1.00 0.00 C +ATOM 21 CA MET A 21 273.366 199.818 287.822 1.00 0.00 C +ATOM 22 CA ALA A 22 272.276 196.391 289.083 1.00 0.00 C +ATOM 23 CA SER A 23 273.760 192.920 289.597 1.00 0.00 C +ATOM 24 CA PHE A 24 275.778 189.827 290.536 1.00 0.00 C +ATOM 25 CA PRO A 25 276.716 187.719 287.504 1.00 0.00 C +ATOM 26 CA PRO A 26 274.020 187.642 284.813 1.00 0.00 C +ATOM 27 CA GLU A 27 271.095 190.055 284.448 1.00 0.00 C +ATOM 28 CA GLU A 28 267.336 189.473 284.666 1.00 0.00 C +ATOM 29 CA VAL A 29 264.131 190.682 286.335 1.00 0.00 C +ATOM 30 CA PRO A 30 261.601 193.352 285.343 1.00 0.00 C +ATOM 31 CA LYS A 31 259.693 193.048 282.059 1.00 0.00 C +ATOM 32 CA ALA A 32 257.002 190.621 280.884 1.00 0.00 C +ATOM 33 CA THR A 33 254.071 191.861 278.788 1.00 0.00 C +ATOM 34 CA GLN A 34 255.151 194.652 276.430 1.00 0.00 C +ATOM 35 CA LEU A 35 256.206 198.302 276.150 1.00 0.00 C +ATOM 36 CA PRO A 36 255.920 200.072 272.788 1.00 0.00 C +ATOM 37 CA PRO A 37 253.177 201.420 270.513 1.00 0.00 C +ATOM 38 CA ARG A 38 249.903 202.950 269.305 1.00 0.00 C +ATOM 39 CA SER A 39 246.951 200.628 268.666 1.00 0.00 C +ATOM 40 CA ARG A 40 246.097 196.919 268.510 1.00 0.00 C +ATOM 41 CA PRO A 41 246.864 195.815 264.945 1.00 0.00 C +ATOM 42 CA LEU A 42 247.887 196.002 261.280 1.00 0.00 C +ATOM 43 CA VAL A 43 251.050 195.533 259.208 1.00 0.00 C +ATOM 44 CA ARG A 44 252.265 194.728 255.688 1.00 0.00 C +ATOM 45 CA GLN A 45 250.387 195.857 252.571 1.00 0.00 C +ATOM 46 CA LYS A 46 246.938 196.982 251.407 1.00 0.00 C +ATOM 47 CA THR A 47 247.175 200.708 250.646 1.00 0.00 C +ATOM 48 CA MET A 48 248.074 204.085 252.164 1.00 0.00 C +ATOM 49 CA PHE A 49 247.029 206.512 254.908 1.00 0.00 C +ATOM 50 CA THR A 50 245.238 204.621 257.688 1.00 0.00 C +ATOM 51 CA ASP A 51 245.889 201.683 260.025 1.00 0.00 C +ATOM 52 CA LYS A 52 243.255 200.638 262.572 1.00 0.00 C +ATOM 53 CA ALA A 53 239.807 202.081 263.314 1.00 0.00 C +ATOM 54 CA SER A 54 240.251 203.859 266.654 1.00 0.00 C +ATOM 55 CA ALA A 55 239.094 204.859 270.144 1.00 0.00 C +ATOM 56 CA PRO A 56 241.891 206.750 271.910 1.00 0.00 C +ATOM 57 CA LYS A 57 242.236 210.391 270.843 1.00 0.00 C +ATOM 58 CA LEU A 58 242.967 213.521 268.798 1.00 0.00 C +ATOM 59 CA LYS A 59 244.140 216.635 266.942 1.00 0.00 C +ATOM 60 CA LYS A 60 246.520 216.867 263.976 1.00 0.00 C +ATOM 61 CA ASN A 61 246.239 214.106 261.365 1.00 0.00 C +ATOM 62 CA THR A 62 248.501 213.735 258.322 1.00 0.00 C +ATOM 63 CA LYS A 63 250.308 216.075 255.919 1.00 0.00 C +ATOM 64 CA GLU A 64 253.102 218.556 256.662 1.00 0.00 C +ATOM 65 CA SER A 65 252.797 219.256 260.395 1.00 0.00 C +ATOM 66 CA HIS A 66 254.985 217.063 262.613 1.00 0.00 C +ATOM 67 CA PHE A 67 256.665 214.021 261.050 1.00 0.00 C +ATOM 68 CA LEU A 68 260.460 214.050 261.383 1.00 0.00 C +ATOM 69 CA ARG A 69 262.746 216.886 260.262 1.00 0.00 C +ATOM 70 CA ARG A 70 265.111 219.679 261.319 1.00 0.00 C +ATOM 71 CA PHE A 71 265.421 223.458 260.948 1.00 0.00 C +ATOM 72 CA PRO A 72 267.573 226.595 260.733 1.00 0.00 C +ATOM 73 CA ALA A 73 269.976 229.547 260.904 1.00 0.00 C +ATOM 74 CA THR A 74 271.697 232.927 260.546 1.00 0.00 C +ATOM 75 CA LYS A 75 272.444 235.855 262.867 1.00 0.00 C +ATOM 76 CA THR A 76 269.747 236.927 265.335 1.00 0.00 C +ATOM 77 CA PRO A 77 267.083 236.644 268.044 1.00 0.00 C +ATOM 78 CA PRO A 78 268.514 237.995 271.306 1.00 0.00 C +ATOM 79 CA PHE A 79 270.159 240.855 273.211 1.00 0.00 C +ATOM 80 CA SER A 80 273.894 240.328 272.670 1.00 0.00 C +ATOM 81 CA SER A 81 277.099 241.428 270.927 1.00 0.00 C +ATOM 82 CA GLU A 82 280.890 241.748 271.114 1.00 0.00 C +ATOM 83 CA GLU A 83 282.812 238.878 272.721 1.00 0.00 C +ATOM 84 CA GLU A 84 285.129 239.866 275.579 1.00 0.00 C +ATOM 85 CA PRO A 85 287.100 236.868 276.862 1.00 0.00 C +ATOM 86 CA GLU A 86 286.208 236.586 280.555 1.00 0.00 C +ATOM 87 CA GLU A 87 287.750 237.709 283.853 1.00 0.00 C +ATOM 88 CA GLU A 88 287.559 241.456 284.517 1.00 0.00 C +ATOM 89 CA GLY A 89 285.640 244.668 283.800 1.00 0.00 C +ATOM 90 CA PHE A 90 282.265 246.240 284.611 1.00 0.00 C +ATOM 91 CA MET A 91 279.099 247.873 285.962 1.00 0.00 C +ATOM 92 CA ARG A 92 277.358 250.815 284.281 1.00 0.00 C +ATOM 93 CA ALA A 93 274.147 252.381 282.957 1.00 0.00 C +ATOM 94 CA HIS A 94 271.565 255.183 282.962 1.00 0.00 C +ATOM 95 CA ARG A 95 269.934 258.488 281.998 1.00 0.00 C +ATOM 96 CA SER A 96 271.419 261.660 283.498 1.00 0.00 C +ATOM 97 CA PRO A 97 270.107 262.705 286.919 1.00 0.00 C +ATOM 98 CA ASP A 98 267.722 260.087 288.323 1.00 0.00 C +ATOM 99 CA VAL A 99 264.488 260.160 290.337 1.00 0.00 C +ATOM 100 CA LEU A 100 264.805 260.949 294.051 1.00 0.00 C +ATOM 101 CA PRO A 101 264.159 263.936 296.326 1.00 0.00 C +ATOM 102 CA THR A 102 262.901 267.400 295.358 1.00 0.00 C +ATOM 103 CA GLN A 103 262.901 270.143 298.001 1.00 0.00 C +ATOM 104 CA PRO A 104 262.790 273.437 296.090 1.00 0.00 C +ATOM 105 CA PRO A 105 263.523 274.842 292.625 1.00 0.00 C +ATOM 106 CA LYS A 106 260.945 276.113 290.125 1.00 0.00 C +ATOM 107 CA ASN A 107 261.294 275.150 286.456 1.00 0.00 C +ATOM 108 CA LYS A 108 260.302 272.528 283.876 1.00 0.00 C +ATOM 109 CA ARG A 109 256.934 272.678 282.101 1.00 0.00 C +ATOM 110 CA SER A 110 255.099 275.993 281.704 1.00 0.00 C +ATOM 111 CA ASN A 111 252.649 276.091 284.620 1.00 0.00 C +ATOM 112 CA PHE A 112 249.868 273.503 284.328 1.00 0.00 C +ATOM 113 CA GLY A 113 250.678 270.515 282.108 1.00 0.00 C +ATOM 114 CA ARG A 114 251.150 270.307 278.333 1.00 0.00 C +ATOM 115 CA ARG A 115 253.044 269.224 275.210 1.00 0.00 C +ATOM 116 CA ALA A 116 253.626 270.392 271.630 1.00 0.00 C +ATOM 117 CA VAL A 117 255.414 273.750 271.416 1.00 0.00 C +ATOM 118 CA ARG A 118 253.649 276.378 273.536 1.00 0.00 C +ATOM 119 CA SER A 119 252.883 280.107 273.384 1.00 0.00 C +ATOM 120 CA ASP A 120 251.375 283.307 271.969 1.00 0.00 C +ATOM 121 CA THR A 121 253.481 286.481 272.058 1.00 0.00 C +ATOM 122 CA ASP A 122 253.237 289.252 274.663 1.00 0.00 C +ATOM 123 CA TRP A 123 251.936 292.540 276.079 1.00 0.00 C +ATOM 124 CA THR A 124 250.701 296.143 275.969 1.00 0.00 C +ATOM 125 CA GLU A 125 247.442 297.939 275.152 1.00 0.00 C +ATOM 126 CA GLY A 126 244.188 296.978 276.885 1.00 0.00 C +ATOM 127 CA SER A 127 241.820 294.720 274.932 1.00 0.00 C +ATOM 128 CA GLU A 128 239.737 292.782 277.465 1.00 0.00 C +ATOM 129 CA MET A 129 241.024 293.143 281.033 1.00 0.00 C +ATOM 130 CA ASP A 130 239.990 290.773 283.831 1.00 0.00 C +ATOM 131 CA ASP A 131 236.983 289.665 285.891 1.00 0.00 C +ATOM 132 CA SER A 132 238.376 289.103 289.392 1.00 0.00 C +ATOM 133 CA ASP A 133 240.110 285.854 290.370 1.00 0.00 C +ATOM 134 CA PHE A 134 242.722 284.583 287.904 1.00 0.00 C +ATOM 135 CA SER A 135 246.432 285.367 288.277 1.00 0.00 C +ATOM 136 CA PRO A 136 249.839 283.738 287.775 1.00 0.00 C +ATOM 137 CA LYS A 137 251.560 282.019 284.842 1.00 0.00 C +ATOM 138 CA LEU A 138 250.109 283.673 281.732 1.00 0.00 C +ATOM 139 CA THR A 139 252.553 285.565 279.504 1.00 0.00 C +ATOM 140 CA GLY A 140 256.256 286.415 279.226 1.00 0.00 C +ATOM 141 CA THR A 141 259.893 287.462 278.782 1.00 0.00 C +ATOM 142 CA SER A 142 262.642 289.629 277.278 1.00 0.00 C +ATOM 143 CA ILE A 143 261.602 291.941 274.433 1.00 0.00 C +ATOM 144 CA LYS A 144 261.823 291.015 270.744 1.00 0.00 C +ATOM 145 CA ILE A 145 263.339 293.965 268.870 1.00 0.00 C +ATOM 146 CA GLN A 146 266.704 295.687 268.399 1.00 0.00 C +ATOM 147 CA THR A 147 266.824 297.653 265.137 1.00 0.00 C +ATOM 148 CA GLU A 148 269.487 297.701 262.413 1.00 0.00 C +ATOM 149 CA LYS A 149 271.709 294.930 261.033 1.00 0.00 C +ATOM 150 CA VAL A 150 272.642 291.477 259.721 1.00 0.00 C +ATOM 151 CA GLU A 151 275.139 291.097 256.868 1.00 0.00 C +ATOM 152 CA SER A 152 274.233 288.100 254.698 1.00 0.00 C +ATOM 153 CA MET A 153 274.587 285.655 251.797 1.00 0.00 C +ATOM 154 CA PRO A 154 271.184 284.735 250.354 1.00 0.00 C +ATOM 155 CA PHE A 155 270.593 281.132 249.265 1.00 0.00 C +ATOM 156 CA PRO A 156 268.340 279.054 247.002 1.00 0.00 C +ATOM 157 CA GLN A 157 266.098 277.098 249.382 1.00 0.00 C +ATOM 158 CA GLY A 158 262.329 276.910 249.912 1.00 0.00 C +ATOM 159 CA ASN A 159 260.147 280.006 249.505 1.00 0.00 C +ATOM 160 CA ARG A 160 257.464 282.666 250.002 1.00 0.00 C +ATOM 161 CA ASN A 161 253.857 281.449 249.847 1.00 0.00 C +ATOM 162 CA LYS A 162 251.413 278.603 249.185 1.00 0.00 C +ATOM 163 CA PRO A 163 247.947 277.501 250.322 1.00 0.00 C +ATOM 164 CA VAL A 164 245.035 279.648 249.127 1.00 0.00 C +ATOM 165 CA PRO A 165 244.742 283.315 248.135 1.00 0.00 C +ATOM 166 CA GLY A 166 243.196 283.778 244.684 1.00 0.00 C +ATOM 167 CA THR A 167 240.849 281.834 242.398 1.00 0.00 C +ATOM 168 CA ASN A 168 237.324 280.421 242.711 1.00 0.00 C +ATOM 169 CA SER A 169 235.877 280.549 239.189 1.00 0.00 C +ATOM 170 CA ALA A 170 233.922 280.619 235.920 1.00 0.00 C +ATOM 171 CA ASP A 171 233.740 277.025 234.669 1.00 0.00 C +ATOM 172 CA ALA A 172 232.210 273.764 235.909 1.00 0.00 C +ATOM 173 CA ALA A 173 232.704 272.094 239.298 1.00 0.00 C +ATOM 174 CA ILE A 174 230.763 273.472 242.272 1.00 0.00 C +ATOM 175 CA LYS A 175 228.372 274.236 245.139 1.00 0.00 C +ATOM 176 CA LYS A 176 224.567 274.359 244.992 1.00 0.00 C +ATOM 177 CA GLU A 177 222.350 277.340 244.145 1.00 0.00 C +ATOM 178 CA GLU A 178 218.567 277.007 244.458 1.00 0.00 C +ATOM 179 CA PHE A 179 216.292 275.626 241.733 1.00 0.00 C +ATOM 180 CA ARG A 180 213.670 276.619 239.153 1.00 0.00 C +ATOM 181 CA GLU A 181 211.088 277.200 236.412 1.00 0.00 C +ATOM 182 CA LEU A 182 208.567 274.347 236.262 1.00 0.00 C +ATOM 183 CA LYS A 183 205.760 272.105 234.993 1.00 0.00 C +ATOM 184 CA CYS A 184 202.593 273.456 236.625 1.00 0.00 C +ATOM 185 CA THR A 185 199.460 275.187 237.929 1.00 0.00 C +ATOM 186 CA ASP A 186 197.194 275.736 234.916 1.00 0.00 C +ATOM 187 CA ALA A 187 199.130 277.295 232.029 1.00 0.00 C +ATOM 188 CA ASP A 188 201.845 278.008 229.453 1.00 0.00 C +ATOM 189 CA ASP A 189 204.342 280.017 227.393 1.00 0.00 C +ATOM 190 CA GLU A 190 207.756 280.325 229.057 1.00 0.00 C +ATOM 191 CA ASP A 191 210.610 277.867 228.491 1.00 0.00 C +ATOM 192 CA TRP A 192 214.313 278.188 227.651 1.00 0.00 C +ATOM 193 CA ASP A 193 216.715 275.888 229.509 1.00 0.00 C +ATOM 194 CA VAL A 194 218.683 275.728 232.767 1.00 0.00 C +ATOM 195 CA SER A 195 220.418 276.583 236.050 1.00 0.00 C +ATOM 196 CA SER A 196 222.619 273.760 237.355 1.00 0.00 C +ATOM 197 CA LEU A 197 225.291 272.582 234.908 1.00 0.00 C +ATOM 198 CA GLU A 198 226.641 271.994 231.394 1.00 0.00 C +ATOM 199 CA GLU A 199 228.864 270.795 228.541 1.00 0.00 C +ATOM 200 CA GLU A 200 229.747 273.382 225.887 1.00 0.00 C +ATOM 201 CA LYS A 201 228.668 275.911 223.249 1.00 0.00 C +ATOM 202 CA SER A 202 227.092 273.871 220.444 1.00 0.00 C +ATOM 203 CA LEU A 203 227.071 270.193 221.434 1.00 0.00 C +ATOM 204 CA GLY A 204 225.054 267.895 219.161 1.00 0.00 C +ATOM 205 CA SER A 205 226.943 267.199 215.926 1.00 0.00 C +ATOM 206 CA LYS A 206 230.063 265.192 216.793 1.00 0.00 C +ATOM 207 CA GLY A 207 232.659 262.770 218.175 1.00 0.00 C +ATOM 208 CA LYS A 208 235.471 265.032 219.396 1.00 0.00 C +ATOM 209 CA ARG A 209 234.523 267.381 222.243 1.00 0.00 C +ATOM 210 CA GLU A 210 235.696 270.887 221.321 1.00 0.00 C +ATOM 211 CA PRO A 211 236.913 272.946 218.356 1.00 0.00 C +ATOM 212 CA PRO A 212 238.217 270.430 215.809 1.00 0.00 C +ATOM 213 CA PRO A 213 241.594 269.292 214.460 1.00 0.00 C +ATOM 214 CA SER A 214 243.519 266.013 214.699 1.00 0.00 C +ATOM 215 CA LYS A 215 245.047 265.778 218.181 1.00 0.00 C +ATOM 216 CA ARG A 216 244.574 263.666 221.316 1.00 0.00 C +ATOM 217 CA ASP A 217 243.064 260.297 220.375 1.00 0.00 C +ATOM 218 CA LEU A 218 242.455 256.632 221.224 1.00 0.00 C +ATOM 219 CA SER A 219 239.104 255.988 222.919 1.00 0.00 C +ATOM 220 CA CYS A 220 235.814 257.908 222.841 1.00 0.00 C +ATOM 221 CA SER A 221 232.641 255.838 222.440 1.00 0.00 C +ATOM 222 CA GLN A 222 229.877 255.909 219.819 1.00 0.00 C +ATOM 223 CA VAL A 223 230.166 256.434 216.056 1.00 0.00 C +ATOM 224 CA GLN A 224 229.110 256.107 212.410 1.00 0.00 C +ATOM 225 CA ARG A 225 227.293 258.947 210.636 1.00 0.00 C +ATOM 226 CA ALA A 226 224.332 257.607 208.648 1.00 0.00 C +ATOM 227 CA TRP A 227 225.144 255.751 205.421 1.00 0.00 C +ATOM 228 CA GLY A 228 223.907 256.630 201.927 1.00 0.00 C +ATOM 229 CA PRO A 229 223.407 255.362 198.369 1.00 0.00 C +ATOM 230 CA VAL A 230 221.709 254.635 195.036 1.00 0.00 C +ATOM 231 CA ASN A 231 219.497 252.683 192.625 1.00 0.00 C +ATOM 232 CA PRO A 232 218.379 254.552 189.499 1.00 0.00 C +ATOM 233 CA ARG A 233 215.806 254.114 186.723 1.00 0.00 C +ATOM 234 CA GLU A 234 217.633 253.932 183.385 1.00 0.00 C +ATOM 235 CA PHE A 235 218.997 257.085 181.737 1.00 0.00 C +ATOM 236 CA LYS A 236 222.284 257.149 179.811 1.00 0.00 C +ATOM 237 CA GLU A 237 225.241 256.310 177.560 1.00 0.00 C +ATOM 238 CA GLU A 238 228.839 257.229 176.709 1.00 0.00 C +ATOM 239 CA GLY A 239 232.566 256.693 176.125 1.00 0.00 C +ATOM 240 CA LEU A 240 234.054 260.194 175.915 1.00 0.00 C +ATOM 241 CA GLN A 241 235.216 263.267 177.844 1.00 0.00 C +ATOM 242 CA GLU A 242 233.361 266.289 179.237 1.00 0.00 C +ATOM 243 CA LYS A 243 233.385 269.564 177.291 1.00 0.00 C +ATOM 244 CA GLU A 244 232.290 269.478 173.642 1.00 0.00 C +ATOM 245 CA SER A 245 231.097 267.901 170.386 1.00 0.00 C +ATOM 246 CA SER A 246 231.245 267.869 166.579 1.00 0.00 C +ATOM 247 CA THR A 247 228.812 266.768 163.862 1.00 0.00 C +ATOM 248 CA ARG A 248 226.578 263.859 164.892 1.00 0.00 C +ATOM 249 CA LYS A 249 228.161 260.686 166.287 1.00 0.00 C +ATOM 250 CA SER A 250 229.923 261.817 169.470 1.00 0.00 C +ATOM 251 CA SER A 251 233.611 261.089 168.854 1.00 0.00 C +ATOM 252 CA LEU A 252 236.840 260.114 167.081 1.00 0.00 C +ATOM 253 CA VAL A 253 240.167 260.515 168.894 1.00 0.00 C +ATOM 254 CA THR A 254 239.600 259.858 172.604 1.00 0.00 C +ATOM 255 CA VAL A 255 241.375 257.202 174.681 1.00 0.00 C +ATOM 256 CA ALA A 256 240.472 254.346 177.035 1.00 0.00 C +ATOM 257 CA ASP A 257 239.172 255.639 180.374 1.00 0.00 C +ATOM 258 CA TRP A 258 238.015 257.347 183.578 1.00 0.00 C +ATOM 259 CA SER A 259 237.727 256.701 187.322 1.00 0.00 C +ATOM 260 CA ASP A 260 240.852 257.496 189.351 1.00 0.00 C +ATOM 261 CA ALA A 261 243.192 260.493 189.109 1.00 0.00 C +ATOM 262 CA LEU A 262 245.132 261.407 185.961 1.00 0.00 C +ATOM 263 CA ASP A 263 246.150 259.883 182.621 1.00 0.00 C +ATOM 264 CA VAL A 264 245.638 257.767 179.494 1.00 0.00 C +TER 265 VAL A 264 +END diff --git a/Mammals/Q5EB85/Q5EB85.dcd b/Mammals/Q5EB85/Q5EB85.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e60ac6ad5825c3111453976ee9babb1fc4e41134 --- /dev/null +++ b/Mammals/Q5EB85/Q5EB85.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:948c8c78a0c422cd4610cf437f28bc2c08800e949f3f64e90d3d508611a9e3a2 +size 41340276 diff --git a/Mammals/Q5EB85/top.pdb b/Mammals/Q5EB85/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4e1a425847f21c89c8daf00d911a4a2552789500 --- /dev/null +++ b/Mammals/Q5EB85/top.pdb @@ -0,0 +1,227 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ARG A 1 187.499 203.927 183.850 1.00 0.00 C +ATOM 2 CA GLU A 2 189.561 205.775 186.468 1.00 0.00 C +ATOM 3 CA LYS A 3 192.553 203.808 187.768 1.00 0.00 C +ATOM 4 CA HIS A 4 193.102 200.967 185.290 1.00 0.00 C +ATOM 5 CA ALA A 5 194.677 201.483 181.859 1.00 0.00 C +ATOM 6 CA ALA A 6 193.054 200.610 178.525 1.00 0.00 C +ATOM 7 CA GLU A 7 189.264 200.336 178.238 1.00 0.00 C +ATOM 8 CA ALA A 8 187.547 197.570 176.259 1.00 0.00 C +ATOM 9 CA SER A 9 185.028 195.009 177.529 1.00 0.00 C +ATOM 10 CA ARG A 10 185.719 194.722 181.264 1.00 0.00 C +ATOM 11 CA ASN A 11 185.817 197.257 184.107 1.00 0.00 C +ATOM 12 CA GLY A 12 182.690 198.532 185.871 1.00 0.00 C +ATOM 13 CA LYS A 13 180.893 201.250 183.897 1.00 0.00 C +ATOM 14 CA GLU A 14 177.819 202.465 185.792 1.00 0.00 C +ATOM 15 CA SER A 15 175.979 205.190 187.717 1.00 0.00 C +ATOM 16 CA SER A 16 178.074 206.661 190.539 1.00 0.00 C +ATOM 17 CA GLY A 17 179.885 206.234 193.864 1.00 0.00 C +ATOM 18 CA SER A 18 181.079 204.048 196.747 1.00 0.00 C +ATOM 19 CA LYS A 19 184.843 203.881 197.313 1.00 0.00 C +ATOM 20 CA LEU A 20 187.297 206.423 198.738 1.00 0.00 C +ATOM 21 CA PRO A 21 190.800 205.151 197.946 1.00 0.00 C +ATOM 22 CA SER A 22 191.711 202.994 194.940 1.00 0.00 C +ATOM 23 CA ILE A 23 195.374 202.220 194.234 1.00 0.00 C +ATOM 24 CA PRO A 24 198.767 200.515 194.541 1.00 0.00 C +ATOM 25 CA ASN A 25 201.913 199.353 192.733 1.00 0.00 C +ATOM 26 CA PRO A 26 203.263 198.005 189.435 1.00 0.00 C +ATOM 27 CA PRO A 27 206.415 195.867 189.536 1.00 0.00 C +ATOM 28 CA ASP A 28 208.494 192.846 190.570 1.00 0.00 C +ATOM 29 CA PRO A 29 209.607 191.266 193.853 1.00 0.00 C +ATOM 30 CA PRO A 30 213.089 190.100 194.868 1.00 0.00 C +ATOM 31 CA MET A 31 216.850 189.653 195.285 1.00 0.00 C +ATOM 32 CA GLU A 32 218.179 190.682 198.704 1.00 0.00 C +ATOM 33 CA LYS A 33 219.145 193.013 201.559 1.00 0.00 C +ATOM 34 CA GLU A 34 216.501 192.787 204.292 1.00 0.00 C +ATOM 35 CA LEU A 35 213.298 193.996 202.620 1.00 0.00 C +ATOM 36 CA ALA A 36 210.026 195.935 202.406 1.00 0.00 C +ATOM 37 CA ALA A 37 209.272 197.251 205.901 1.00 0.00 C +ATOM 38 CA GLY A 38 207.954 197.778 209.437 1.00 0.00 C +ATOM 39 CA GLN A 39 209.188 195.577 212.291 1.00 0.00 C +ATOM 40 CA ILE A 40 212.932 195.083 211.781 1.00 0.00 C +ATOM 41 CA GLU A 41 216.317 195.851 213.353 1.00 0.00 C +ATOM 42 CA LYS A 42 216.297 194.733 216.995 1.00 0.00 C +ATOM 43 CA SER A 43 218.177 197.290 219.104 1.00 0.00 C +ATOM 44 CA THR A 44 219.055 200.962 218.595 1.00 0.00 C +ATOM 45 CA ILE A 45 216.365 203.264 217.187 1.00 0.00 C +ATOM 46 CA LYS A 46 216.700 206.023 214.581 1.00 0.00 C +ATOM 47 CA PRO A 47 217.717 206.812 210.995 1.00 0.00 C +ATOM 48 CA LYS A 48 220.830 208.993 211.254 1.00 0.00 C +ATOM 49 CA PRO A 49 222.133 211.535 213.775 1.00 0.00 C +ATOM 50 CA GLN A 50 224.492 210.026 216.359 1.00 0.00 C +ATOM 51 CA LEU A 51 224.892 211.282 219.933 1.00 0.00 C +ATOM 52 CA SER A 52 222.519 212.300 222.735 1.00 0.00 C +ATOM 53 CA HIS A 53 223.667 212.153 226.366 1.00 0.00 C +ATOM 54 CA SER A 54 224.064 215.797 227.402 1.00 0.00 C +ATOM 55 CA SER A 55 221.815 218.612 228.643 1.00 0.00 C +ATOM 56 CA ARG A 56 223.775 220.300 231.440 1.00 0.00 C +ATOM 57 CA LEU A 57 226.250 221.790 233.924 1.00 0.00 C +ATOM 58 CA SER A 58 228.980 224.428 233.593 1.00 0.00 C +ATOM 59 CA SER A 59 232.779 224.212 233.396 1.00 0.00 C +ATOM 60 CA ASP A 60 234.444 227.637 233.312 1.00 0.00 C +ATOM 61 CA LEU A 61 235.937 228.984 230.076 1.00 0.00 C +ATOM 62 CA THR A 62 239.599 228.068 229.560 1.00 0.00 C +ATOM 63 CA ARG A 63 241.970 225.949 231.658 1.00 0.00 C +ATOM 64 CA GLU A 64 244.893 224.407 233.555 1.00 0.00 C +ATOM 65 CA THR A 65 247.003 221.718 231.873 1.00 0.00 C +ATOM 66 CA ASP A 66 250.580 220.853 230.884 1.00 0.00 C +ATOM 67 CA GLU A 67 251.198 217.767 228.737 1.00 0.00 C +ATOM 68 CA ALA A 68 251.889 215.101 226.104 1.00 0.00 C +ATOM 69 CA ALA A 69 252.534 216.188 222.510 1.00 0.00 C +ATOM 70 CA PHE A 70 256.185 217.011 221.794 1.00 0.00 C +ATOM 71 CA GLU A 71 259.932 216.462 222.209 1.00 0.00 C +ATOM 72 CA PRO A 72 263.060 218.580 222.707 1.00 0.00 C +ATOM 73 CA ASP A 73 265.478 221.445 222.030 1.00 0.00 C +ATOM 74 CA TYR A 74 267.165 223.488 224.768 1.00 0.00 C +ATOM 75 CA ASN A 75 269.186 223.384 227.996 1.00 0.00 C +ATOM 76 CA GLU A 76 269.780 220.175 229.963 1.00 0.00 C +ATOM 77 CA SER A 77 273.075 219.435 231.727 1.00 0.00 C +ATOM 78 CA ASP A 78 274.430 217.506 234.720 1.00 0.00 C +ATOM 79 CA SER A 79 277.151 215.186 233.404 1.00 0.00 C +ATOM 80 CA GLU A 80 280.943 215.506 233.217 1.00 0.00 C +ATOM 81 CA SER A 81 283.145 212.559 232.229 1.00 0.00 C +ATOM 82 CA ASN A 82 283.946 211.853 228.571 1.00 0.00 C +ATOM 83 CA VAL A 83 284.409 214.479 225.850 1.00 0.00 C +ATOM 84 CA SER A 84 282.875 214.245 222.371 1.00 0.00 C +ATOM 85 CA VAL A 85 281.593 217.316 220.514 1.00 0.00 C +ATOM 86 CA LYS A 86 281.008 220.462 222.582 1.00 0.00 C +ATOM 87 CA GLU A 87 279.392 222.391 225.442 1.00 0.00 C +ATOM 88 CA GLU A 88 277.868 225.823 226.088 1.00 0.00 C +ATOM 89 CA GLU A 89 274.518 226.814 224.568 1.00 0.00 C +ATOM 90 CA ALA A 90 271.250 228.389 223.406 1.00 0.00 C +ATOM 91 CA VAL A 91 268.503 229.978 221.297 1.00 0.00 C +ATOM 92 CA ALA A 92 270.074 232.365 218.777 1.00 0.00 C +ATOM 93 CA SER A 93 273.882 232.258 218.852 1.00 0.00 C +ATOM 94 CA VAL A 94 277.227 234.029 218.419 1.00 0.00 C +ATOM 95 CA SER A 95 279.527 233.688 215.401 1.00 0.00 C +ATOM 96 CA LYS A 96 281.201 236.618 213.632 1.00 0.00 C +ATOM 97 CA ASP A 97 283.371 239.739 213.374 1.00 0.00 C +ATOM 98 CA LEU A 98 284.039 243.379 214.277 1.00 0.00 C +ATOM 99 CA LYS A 99 283.805 243.919 218.042 1.00 0.00 C +ATOM 100 CA GLU A 100 284.727 246.274 220.891 1.00 0.00 C +ATOM 101 CA LYS A 101 283.096 249.717 220.840 1.00 0.00 C +ATOM 102 CA ALA A 102 279.670 251.222 221.554 1.00 0.00 C +ATOM 103 CA THR A 103 275.877 250.937 221.325 1.00 0.00 C +ATOM 104 CA GLU A 104 272.376 249.886 220.251 1.00 0.00 C +ATOM 105 CA LYS A 105 269.858 248.478 217.762 1.00 0.00 C +ATOM 106 CA ALA A 106 267.356 245.674 218.385 1.00 0.00 C +ATOM 107 CA THR A 107 265.154 244.701 221.338 1.00 0.00 C +ATOM 108 CA GLU A 108 264.959 247.251 224.162 1.00 0.00 C +ATOM 109 CA SER A 109 263.500 245.584 227.261 1.00 0.00 C +ATOM 110 CA LEU A 110 264.290 244.889 230.923 1.00 0.00 C +ATOM 111 CA ASN A 111 267.400 243.518 232.646 1.00 0.00 C +ATOM 112 CA VAL A 112 271.022 244.643 232.281 1.00 0.00 C +ATOM 113 CA ALA A 113 270.846 248.321 231.303 1.00 0.00 C +ATOM 114 CA THR A 114 269.661 251.640 232.750 1.00 0.00 C +ATOM 115 CA ALA A 115 271.388 254.391 230.760 1.00 0.00 C +ATOM 116 CA SER A 116 275.111 255.198 230.679 1.00 0.00 C +ATOM 117 CA GLN A 117 276.812 257.802 228.478 1.00 0.00 C +ATOM 118 CA PRO A 118 278.794 260.898 229.478 1.00 0.00 C +ATOM 119 CA GLY A 119 278.073 264.623 229.131 1.00 0.00 C +ATOM 120 CA ALA A 120 278.003 267.432 231.704 1.00 0.00 C +ATOM 121 CA ASP A 121 276.711 266.439 235.148 1.00 0.00 C +ATOM 122 CA ARG A 122 278.388 265.904 238.527 1.00 0.00 C +ATOM 123 CA SER A 123 278.978 266.871 242.165 1.00 0.00 C +ATOM 124 CA GLN A 124 278.367 266.444 245.901 1.00 0.00 C +ATOM 125 CA SER A 125 278.249 269.641 247.969 1.00 0.00 C +ATOM 126 CA GLN A 126 281.276 271.890 248.516 1.00 0.00 C +ATOM 127 CA SER A 127 283.042 275.039 247.300 1.00 0.00 C +ATOM 128 CA SER A 128 284.724 277.007 250.095 1.00 0.00 C +ATOM 129 CA PRO A 129 286.430 279.982 251.755 1.00 0.00 C +ATOM 130 CA SER A 130 284.745 282.072 254.459 1.00 0.00 C +ATOM 131 CA VAL A 131 281.153 282.879 255.438 1.00 0.00 C +ATOM 132 CA SER A 132 279.189 282.460 258.676 1.00 0.00 C +ATOM 133 CA PRO A 133 277.661 282.618 262.163 1.00 0.00 C +ATOM 134 CA SER A 134 275.911 285.118 264.445 1.00 0.00 C +ATOM 135 CA ARG A 135 277.865 287.590 266.586 1.00 0.00 C +ATOM 136 CA SER A 136 278.099 290.220 269.333 1.00 0.00 C +ATOM 137 CA HIS A 137 278.242 293.537 267.464 1.00 0.00 C +ATOM 138 CA SER A 138 276.869 297.090 267.359 1.00 0.00 C +ATOM 139 CA PRO A 139 278.786 300.293 268.122 1.00 0.00 C +ATOM 140 CA SER A 140 282.412 301.458 268.228 1.00 0.00 C +ATOM 141 CA GLY A 141 284.468 301.389 271.435 1.00 0.00 C +ATOM 142 CA SER A 142 286.353 298.912 273.632 1.00 0.00 C +ATOM 143 CA GLN A 143 284.373 297.501 276.566 1.00 0.00 C +ATOM 144 CA THR A 144 283.276 295.768 279.776 1.00 0.00 C +ATOM 145 CA ARG A 145 283.448 291.962 279.856 1.00 0.00 C +ATOM 146 CA SER A 146 282.938 290.763 283.437 1.00 0.00 C +ATOM 147 CA HIS A 147 280.921 289.542 286.429 1.00 0.00 C +ATOM 148 CA SER A 148 282.809 290.314 289.647 1.00 0.00 C +ATOM 149 CA SER A 149 281.288 293.237 291.561 1.00 0.00 C +ATOM 150 CA SER A 150 282.210 296.530 293.241 1.00 0.00 C +ATOM 151 CA ALA A 151 285.140 298.798 294.125 1.00 0.00 C +ATOM 152 CA SER A 152 287.607 301.699 293.992 1.00 0.00 C +ATOM 153 CA SER A 153 287.904 305.268 292.692 1.00 0.00 C +ATOM 154 CA ALA A 154 284.810 307.341 293.494 1.00 0.00 C +ATOM 155 CA GLU A 155 281.201 308.544 293.282 1.00 0.00 C +ATOM 156 CA SER A 156 278.467 305.901 293.520 1.00 0.00 C +ATOM 157 CA GLN A 157 278.052 304.756 297.130 1.00 0.00 C +ATOM 158 CA ASP A 158 274.864 306.128 298.700 1.00 0.00 C +ATOM 159 CA SER A 159 271.184 307.047 298.335 1.00 0.00 C +ATOM 160 CA LYS A 160 268.772 304.226 297.473 1.00 0.00 C +ATOM 161 CA LYS A 161 269.736 300.546 297.683 1.00 0.00 C +ATOM 162 CA LYS A 162 271.093 296.994 297.430 1.00 0.00 C +ATOM 163 CA LYS A 163 270.291 293.270 297.429 1.00 0.00 C +ATOM 164 CA LYS A 164 270.960 291.430 294.160 1.00 0.00 C +ATOM 165 CA LYS A 165 270.065 291.087 290.473 1.00 0.00 C +ATOM 166 CA LYS A 166 267.916 292.375 287.602 1.00 0.00 C +ATOM 167 CA ASP A 167 264.781 290.979 285.947 1.00 0.00 C +ATOM 168 CA LYS A 168 263.824 293.051 282.895 1.00 0.00 C +ATOM 169 CA LYS A 169 265.385 296.306 281.677 1.00 0.00 C +ATOM 170 CA LYS A 170 264.175 299.693 282.934 1.00 0.00 C +ATOM 171 CA HIS A 171 263.115 303.238 283.841 1.00 0.00 C +ATOM 172 CA LYS A 172 262.569 305.196 287.064 1.00 0.00 C +ATOM 173 CA LYS A 173 260.783 303.242 289.804 1.00 0.00 C +ATOM 174 CA HIS A 174 257.700 304.607 291.579 1.00 0.00 C +ATOM 175 CA LYS A 175 254.150 303.797 292.700 1.00 0.00 C +ATOM 176 CA LYS A 176 252.592 302.462 295.910 1.00 0.00 C +ATOM 177 CA HIS A 177 249.966 299.719 296.223 1.00 0.00 C +ATOM 178 CA LYS A 178 249.554 298.244 299.711 1.00 0.00 C +ATOM 179 CA LYS A 179 251.005 297.295 303.104 1.00 0.00 C +ATOM 180 CA HIS A 180 251.393 300.428 305.237 1.00 0.00 C +ATOM 181 CA LYS A 181 254.078 301.427 307.749 1.00 0.00 C +ATOM 182 CA LYS A 182 254.803 304.267 310.184 1.00 0.00 C +ATOM 183 CA HIS A 183 251.869 305.834 312.040 1.00 0.00 C +ATOM 184 CA ALA A 184 251.544 305.441 315.816 1.00 0.00 C +ATOM 185 CA GLY A 185 251.837 302.877 318.620 1.00 0.00 C +ATOM 186 CA VAL A 186 254.702 300.605 319.691 1.00 0.00 C +ATOM 187 CA ASP A 187 255.469 297.277 321.378 1.00 0.00 C +ATOM 188 CA GLY A 188 254.739 293.548 321.659 1.00 0.00 C +ATOM 189 CA ASP A 189 253.369 290.570 323.602 1.00 0.00 C +ATOM 190 CA VAL A 190 254.664 286.989 323.473 1.00 0.00 C +ATOM 191 CA GLU A 191 253.866 283.269 323.265 1.00 0.00 C +ATOM 192 CA LYS A 192 254.718 279.556 323.230 1.00 0.00 C +ATOM 193 CA SER A 193 253.363 276.426 321.532 1.00 0.00 C +ATOM 194 CA GLN A 194 254.412 276.543 317.871 1.00 0.00 C +ATOM 195 CA LYS A 195 255.820 279.257 315.597 1.00 0.00 C +ATOM 196 CA HIS A 196 255.070 282.874 314.666 1.00 0.00 C +ATOM 197 CA LYS A 197 252.042 283.971 312.631 1.00 0.00 C +ATOM 198 CA HIS A 198 250.036 287.125 311.892 1.00 0.00 C +ATOM 199 CA LYS A 199 246.938 288.994 313.085 1.00 0.00 C +ATOM 200 CA LYS A 200 243.497 287.433 313.569 1.00 0.00 C +ATOM 201 CA LYS A 201 241.722 287.269 310.202 1.00 0.00 C +ATOM 202 CA LYS A 202 241.680 285.665 306.746 1.00 0.00 C +ATOM 203 CA ALA A 203 241.967 285.363 302.959 1.00 0.00 C +ATOM 204 CA LYS A 204 244.598 283.118 301.361 1.00 0.00 C +ATOM 205 CA LYS A 205 242.814 280.187 299.704 1.00 0.00 C +ATOM 206 CA ASN A 206 241.743 276.619 300.502 1.00 0.00 C +ATOM 207 CA LYS A 207 243.405 273.193 300.617 1.00 0.00 C +ATOM 208 CA ASP A 208 244.651 271.410 297.488 1.00 0.00 C +ATOM 209 CA LYS A 209 246.718 272.824 294.617 1.00 0.00 C +ATOM 210 CA GLU A 210 250.339 273.216 295.736 1.00 0.00 C +ATOM 211 CA LYS A 211 252.855 270.790 294.221 1.00 0.00 C +ATOM 212 CA GLU A 212 254.726 269.302 297.188 1.00 0.00 C +ATOM 213 CA LYS A 213 254.228 269.103 300.960 1.00 0.00 C +ATOM 214 CA ASP A 214 252.502 267.971 304.162 1.00 0.00 C +ATOM 215 CA ASP A 215 250.683 266.088 306.930 1.00 0.00 C +ATOM 216 CA GLN A 216 249.974 262.481 305.926 1.00 0.00 C +ATOM 217 CA LYS A 217 248.685 258.937 306.471 1.00 0.00 C +ATOM 218 CA VAL A 218 246.920 255.925 307.996 1.00 0.00 C +ATOM 219 CA LYS A 219 248.534 253.707 310.641 1.00 0.00 C +ATOM 220 CA SER A 220 250.261 252.632 313.862 1.00 0.00 C +ATOM 221 CA VAL A 221 253.453 250.596 314.284 1.00 0.00 C +ATOM 222 CA THR A 222 255.851 251.099 317.201 1.00 0.00 C +ATOM 223 CA VAL A 223 258.601 253.265 318.708 1.00 0.00 C +TER 224 VAL A 223 +END diff --git a/Mammals/Q5EIU9/Q5EIU9.dcd b/Mammals/Q5EIU9/Q5EIU9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..6a46ca5d552b59f0b50230ee8f2542945b9a6b09 --- /dev/null +++ b/Mammals/Q5EIU9/Q5EIU9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:430fe291b50ff4bccdd948a5780c6dc9beed2987d5902e20050a9cd821adec66 +size 5960276 diff --git a/Mammals/Q5EIU9/top.pdb b/Mammals/Q5EIU9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2205776735968c45b56353ae3556847b6ceaaac1 --- /dev/null +++ b/Mammals/Q5EIU9/top.pdb @@ -0,0 +1,47 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLY A 1 278.873 265.608 249.312 1.00 0.00 C +ATOM 2 CA GLN A 2 276.656 266.679 252.220 1.00 0.00 C +ATOM 3 CA ALA A 3 272.846 266.696 252.186 1.00 0.00 C +ATOM 4 CA ALA A 4 269.676 267.820 253.976 1.00 0.00 C +ATOM 5 CA GLY A 5 266.711 268.062 256.357 1.00 0.00 C +ATOM 6 CA ALA A 6 264.285 268.293 259.285 1.00 0.00 C +ATOM 7 CA LEU A 7 260.777 267.419 258.082 1.00 0.00 C +ATOM 8 CA ALA A 8 260.167 265.171 255.066 1.00 0.00 C +ATOM 9 CA SER A 9 263.238 263.827 253.255 1.00 0.00 C +ATOM 10 CA ARG A 10 263.727 262.311 249.795 1.00 0.00 C +ATOM 11 CA ASN A 11 261.596 264.386 247.414 1.00 0.00 C +ATOM 12 CA THR A 12 259.095 262.620 245.146 1.00 0.00 C +ATOM 13 CA HIS A 13 259.104 263.724 241.499 1.00 0.00 C +ATOM 14 CA SER A 14 255.858 264.622 239.719 1.00 0.00 C +ATOM 15 CA ALA A 15 252.295 263.927 238.563 1.00 0.00 C +ATOM 16 CA GLU A 16 250.616 261.090 236.652 1.00 0.00 C +ATOM 17 CA LEU A 17 246.932 260.585 235.822 1.00 0.00 C +ATOM 18 CA PRO A 18 245.439 257.208 236.763 1.00 0.00 C +ATOM 19 CA PRO A 19 245.873 254.236 239.107 1.00 0.00 C +ATOM 20 CA PRO A 20 242.633 252.583 240.243 1.00 0.00 C +ATOM 21 CA ASP A 21 240.173 250.662 242.428 1.00 0.00 C +ATOM 22 CA GLN A 22 238.168 250.643 245.667 1.00 0.00 C +ATOM 23 CA PRO A 23 238.496 253.963 247.508 1.00 0.00 C +ATOM 24 CA SER A 24 236.098 254.372 250.441 1.00 0.00 C +ATOM 25 CA PRO A 25 234.661 253.803 253.923 1.00 0.00 C +ATOM 26 CA CYS A 26 234.479 250.322 255.462 1.00 0.00 C +ATOM 27 CA LYS A 27 233.162 246.787 254.929 1.00 0.00 C +ATOM 28 CA CYS A 28 236.120 244.452 254.367 1.00 0.00 C +ATOM 29 CA THR A 29 236.505 242.448 251.150 1.00 0.00 C +ATOM 30 CA CYS A 30 236.482 238.648 251.418 1.00 0.00 C +ATOM 31 CA LYS A 31 236.673 236.987 247.994 1.00 0.00 C +ATOM 32 CA LYS A 32 240.330 237.146 246.935 1.00 0.00 C +ATOM 33 CA GLU A 33 242.337 239.810 248.777 1.00 0.00 C +ATOM 34 CA PRO A 34 245.125 240.792 251.180 1.00 0.00 C +ATOM 35 CA SER A 35 248.046 238.347 251.110 1.00 0.00 C +ATOM 36 CA SER A 36 247.149 235.665 253.663 1.00 0.00 C +ATOM 37 CA VAL A 37 248.498 232.104 253.777 1.00 0.00 C +ATOM 38 CA SER A 38 245.846 229.371 253.665 1.00 0.00 C +ATOM 39 CA PRO A 39 244.908 225.736 254.312 1.00 0.00 C +ATOM 40 CA SER A 40 244.789 223.826 257.607 1.00 0.00 C +ATOM 41 CA ALA A 41 247.342 221.300 258.880 1.00 0.00 C +ATOM 42 CA THR A 42 247.425 218.717 261.679 1.00 0.00 C +ATOM 43 CA VAL A 43 250.793 217.233 262.665 1.00 0.00 C +TER 44 VAL A 43 +END diff --git a/Mammals/Q5FBW7/Q5FBW7.dcd b/Mammals/Q5FBW7/Q5FBW7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..05aaf045a550078686e099f518ff141072f3a1f4 --- /dev/null +++ b/Mammals/Q5FBW7/Q5FBW7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:21fa17d6b840f51525246018c36487b47af7eec267002a17ddd8bc47dbba34eb +size 4400276 diff --git a/Mammals/Q5FBW7/top.pdb b/Mammals/Q5FBW7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f8993d9358ca5c8f1e1daa5c162ade6861c6b61f --- /dev/null +++ b/Mammals/Q5FBW7/top.pdb @@ -0,0 +1,34 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 261.754 251.977 237.329 1.00 0.00 C +ATOM 2 CA GLU A 2 259.569 251.657 234.225 1.00 0.00 C +ATOM 3 CA ARG A 3 258.648 248.352 232.568 1.00 0.00 C +ATOM 4 CA ALA A 4 255.210 247.322 233.846 1.00 0.00 C +ATOM 5 CA GLU A 5 254.568 243.570 234.010 1.00 0.00 C +ATOM 6 CA SER A 6 254.255 242.533 237.663 1.00 0.00 C +ATOM 7 CA SER A 7 252.841 245.443 239.675 1.00 0.00 C +ATOM 8 CA SER A 8 249.146 245.389 240.603 1.00 0.00 C +ATOM 9 CA THR A 9 248.654 242.187 242.608 1.00 0.00 C +ATOM 10 CA GLU A 10 249.156 241.420 246.306 1.00 0.00 C +ATOM 11 CA PRO A 11 252.852 241.864 247.115 1.00 0.00 C +ATOM 12 CA ALA A 12 255.934 243.018 249.035 1.00 0.00 C +ATOM 13 CA LYS A 13 255.832 246.096 251.278 1.00 0.00 C +ATOM 14 CA ALA A 14 256.406 248.816 253.884 1.00 0.00 C +ATOM 15 CA ILE A 15 257.922 250.499 256.947 1.00 0.00 C +ATOM 16 CA LYS A 16 256.993 254.193 256.837 1.00 0.00 C +ATOM 17 CA PRO A 17 253.782 256.205 257.229 1.00 0.00 C +ATOM 18 CA ILE A 18 253.285 258.342 254.114 1.00 0.00 C +ATOM 19 CA ASP A 19 249.503 258.551 253.705 1.00 0.00 C +ATOM 20 CA ARG A 20 246.786 260.134 255.856 1.00 0.00 C +ATOM 21 CA ASN A 21 243.365 258.740 256.787 1.00 0.00 C +ATOM 22 CA GLY A 22 242.925 257.825 260.459 1.00 0.00 C +ATOM 23 CA PRO A 23 240.525 254.993 261.319 1.00 0.00 C +ATOM 24 CA ALA A 24 237.122 253.772 260.117 1.00 0.00 C +ATOM 25 CA CYS A 25 236.253 251.248 257.399 1.00 0.00 C +ATOM 26 CA HIS A 26 238.062 250.291 254.186 1.00 0.00 C +ATOM 27 CA GLY A 27 241.579 248.908 254.670 1.00 0.00 C +ATOM 28 CA ARG A 28 244.315 249.760 257.182 1.00 0.00 C +ATOM 29 CA GLU A 29 245.997 247.623 259.850 1.00 0.00 C +ATOM 30 CA VAL A 30 246.762 249.273 263.199 1.00 0.00 C +TER 31 VAL A 30 +END diff --git a/Mammals/Q5FVF7/Q5FVF7.dcd b/Mammals/Q5FVF7/Q5FVF7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..521d4262ccfa75d87732cdec20be26925f8801dd --- /dev/null +++ b/Mammals/Q5FVF7/Q5FVF7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3e3998e178e118057f56982017b6af1691ec0fe2b5d6212aef20cd501677ad05 +size 7040276 diff --git a/Mammals/Q5FVF7/top.pdb b/Mammals/Q5FVF7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4ba7ceef831538ce6eeae6f04f0ff4d895e510c3 --- /dev/null +++ b/Mammals/Q5FVF7/top.pdb @@ -0,0 +1,56 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 233.922 236.559 251.683 1.00 0.00 C +ATOM 2 CA ARG A 2 233.407 239.915 249.952 1.00 0.00 C +ATOM 3 CA GLY A 3 231.751 241.054 246.715 1.00 0.00 C +ATOM 4 CA ILE A 4 229.069 242.473 244.411 1.00 0.00 C +ATOM 5 CA LEU A 5 225.316 242.935 243.944 1.00 0.00 C +ATOM 6 CA TYR A 6 225.003 246.164 241.946 1.00 0.00 C +ATOM 7 CA ALA A 7 221.254 246.837 241.851 1.00 0.00 C +ATOM 8 CA ALA A 8 219.352 245.821 244.992 1.00 0.00 C +ATOM 9 CA PRO A 9 218.001 248.527 247.308 1.00 0.00 C +ATOM 10 CA GLN A 10 219.890 248.549 250.617 1.00 0.00 C +ATOM 11 CA LEU A 11 223.634 247.882 250.850 1.00 0.00 C +ATOM 12 CA GLN A 12 226.068 247.447 253.749 1.00 0.00 C +ATOM 13 CA SER A 13 229.750 248.397 253.981 1.00 0.00 C +ATOM 14 CA ILE A 14 232.613 246.276 255.330 1.00 0.00 C +ATOM 15 CA ARG A 15 235.728 246.382 257.521 1.00 0.00 C +ATOM 16 CA SER A 16 237.511 243.024 257.770 1.00 0.00 C +ATOM 17 CA GLY A 17 239.683 239.951 257.176 1.00 0.00 C +ATOM 18 CA PRO A 18 242.377 237.549 255.957 1.00 0.00 C +ATOM 19 CA SER A 19 245.016 237.258 258.691 1.00 0.00 C +ATOM 20 CA HIS A 20 248.073 235.948 260.549 1.00 0.00 C +ATOM 21 CA GLU A 21 249.711 234.031 263.405 1.00 0.00 C +ATOM 22 CA GLU A 22 252.857 234.325 265.534 1.00 0.00 C +ATOM 23 CA ASP A 23 255.797 236.489 264.442 1.00 0.00 C +ATOM 24 CA ALA A 24 257.322 239.393 262.504 1.00 0.00 C +ATOM 25 CA ASP A 25 256.123 239.729 258.902 1.00 0.00 C +ATOM 26 CA SER A 26 255.472 239.708 255.148 1.00 0.00 C +ATOM 27 CA TYR A 27 254.118 243.076 253.990 1.00 0.00 C +ATOM 28 CA GLU A 28 256.484 244.652 251.454 1.00 0.00 C +ATOM 29 CA ASN A 29 254.926 244.160 248.012 1.00 0.00 C +ATOM 30 CA MET A 30 256.777 245.093 244.815 1.00 0.00 C +ATOM 31 CA ASP A 31 257.706 245.872 241.204 1.00 0.00 C +ATOM 32 CA LYS A 32 261.445 246.522 240.860 1.00 0.00 C +ATOM 33 CA SER A 33 262.854 250.022 240.335 1.00 0.00 C +ATOM 34 CA ASP A 34 264.453 253.191 241.721 1.00 0.00 C +ATOM 35 CA ASP A 35 266.326 254.344 244.831 1.00 0.00 C +ATOM 36 CA PRO A 36 268.118 255.908 247.809 1.00 0.00 C +ATOM 37 CA GLU A 37 269.342 257.209 251.174 1.00 0.00 C +ATOM 38 CA PRO A 38 266.907 257.503 254.090 1.00 0.00 C +ATOM 39 CA ALA A 39 267.433 260.033 256.889 1.00 0.00 C +ATOM 40 CA TRP A 40 265.616 262.399 259.259 1.00 0.00 C +ATOM 41 CA ALA A 41 263.170 265.066 258.066 1.00 0.00 C +ATOM 42 CA GLY A 42 261.465 264.148 254.784 1.00 0.00 C +ATOM 43 CA GLU A 43 260.919 266.833 252.137 1.00 0.00 C +ATOM 44 CA GLY A 44 261.329 269.782 249.760 1.00 0.00 C +ATOM 45 CA HIS A 45 261.893 268.653 246.165 1.00 0.00 C +ATOM 46 CA MET A 46 262.534 270.934 243.181 1.00 0.00 C +ATOM 47 CA GLY A 47 263.134 269.837 239.582 1.00 0.00 C +ATOM 48 CA THR A 48 264.168 266.276 238.704 1.00 0.00 C +ATOM 49 CA TRP A 49 267.470 265.392 237.021 1.00 0.00 C +ATOM 50 CA GLY A 50 270.428 262.994 237.132 1.00 0.00 C +ATOM 51 CA ALA A 51 273.125 260.303 237.135 1.00 0.00 C +ATOM 52 CA THR A 52 273.157 257.175 234.960 1.00 0.00 C +TER 53 THR A 52 +END diff --git a/Mammals/Q5FWU6/Q5FWU6.dcd b/Mammals/Q5FWU6/Q5FWU6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..81f7ed42482f8510846c7059bcd67ea40bcf9224 --- /dev/null +++ b/Mammals/Q5FWU6/Q5FWU6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f3c2b99d788f97d93bf77d961c26be4d89cbadc3b901cdf3199e6f20a439fbfa +size 6320276 diff --git a/Mammals/Q5FWU6/top.pdb b/Mammals/Q5FWU6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9e9d8870bdff16176a972e4b39d3c30e318cea29 --- /dev/null +++ b/Mammals/Q5FWU6/top.pdb @@ -0,0 +1,50 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 251.001 275.702 226.317 1.00 0.00 C +ATOM 2 CA PRO A 2 247.673 274.028 225.518 1.00 0.00 C +ATOM 3 CA SER A 3 244.939 272.284 227.518 1.00 0.00 C +ATOM 4 CA LEU A 4 245.644 271.851 231.237 1.00 0.00 C +ATOM 5 CA VAL A 5 249.044 270.225 231.792 1.00 0.00 C +ATOM 6 CA LYS A 6 250.023 267.223 233.925 1.00 0.00 C +ATOM 7 CA LYS A 7 252.530 264.471 234.737 1.00 0.00 C +ATOM 8 CA TRP A 8 250.873 261.973 237.089 1.00 0.00 C +ATOM 9 CA GLN A 9 252.924 261.942 240.299 1.00 0.00 C +ATOM 10 CA SER A 10 256.222 260.076 239.901 1.00 0.00 C +ATOM 11 CA ILE A 11 259.239 258.420 241.535 1.00 0.00 C +ATOM 12 CA GLN A 12 262.688 258.733 239.946 1.00 0.00 C +ATOM 13 CA ARG A 13 265.171 259.424 242.752 1.00 0.00 C +ATOM 14 CA GLU A 14 263.023 260.514 245.704 1.00 0.00 C +ATOM 15 CA LEU A 15 260.715 258.574 248.033 1.00 0.00 C +ATOM 16 CA ASP A 16 257.191 258.843 249.458 1.00 0.00 C +ATOM 17 CA GLU A 17 253.542 259.349 248.486 1.00 0.00 C +ATOM 18 CA GLU A 18 250.127 259.754 250.126 1.00 0.00 C +ATOM 19 CA ASP A 19 248.468 263.002 251.226 1.00 0.00 C +ATOM 20 CA ASN A 20 246.862 264.408 254.383 1.00 0.00 C +ATOM 21 CA SER A 21 247.518 263.120 257.908 1.00 0.00 C +ATOM 22 CA SER A 22 248.799 259.594 258.576 1.00 0.00 C +ATOM 23 CA SER A 23 247.364 256.093 258.125 1.00 0.00 C +ATOM 24 CA SER A 24 247.682 252.664 256.495 1.00 0.00 C +ATOM 25 CA GLU A 25 248.493 249.653 254.307 1.00 0.00 C +ATOM 26 CA GLU A 26 245.602 247.235 254.864 1.00 0.00 C +ATOM 27 CA ASP A 27 246.062 243.618 255.968 1.00 0.00 C +ATOM 28 CA ARG A 28 249.388 241.968 255.113 1.00 0.00 C +ATOM 29 CA GLU A 29 249.401 238.286 254.134 1.00 0.00 C +ATOM 30 CA SER A 30 247.549 235.588 256.084 1.00 0.00 C +ATOM 31 CA THR A 31 249.925 233.245 257.923 1.00 0.00 C +ATOM 32 CA ALA A 32 251.854 231.452 260.676 1.00 0.00 C +ATOM 33 CA GLN A 33 255.097 232.578 262.330 1.00 0.00 C +ATOM 34 CA LYS A 34 257.465 235.562 262.270 1.00 0.00 C +ATOM 35 CA ARG A 35 256.135 238.799 260.766 1.00 0.00 C +ATOM 36 CA ILE A 36 252.441 238.838 259.832 1.00 0.00 C +ATOM 37 CA GLU A 37 248.927 238.540 261.274 1.00 0.00 C +ATOM 38 CA GLU A 38 246.891 235.648 262.689 1.00 0.00 C +ATOM 39 CA TRP A 39 243.912 233.856 261.131 1.00 0.00 C +ATOM 40 CA LYS A 40 241.428 236.542 260.066 1.00 0.00 C +ATOM 41 CA GLN A 41 239.270 235.389 257.145 1.00 0.00 C +ATOM 42 CA GLN A 42 239.351 232.075 255.266 1.00 0.00 C +ATOM 43 CA GLN A 43 238.826 228.703 253.573 1.00 0.00 C +ATOM 44 CA LEU A 44 240.838 225.559 254.337 1.00 0.00 C +ATOM 45 CA VAL A 45 244.629 225.930 254.416 1.00 0.00 C +ATOM 46 CA ARG A 46 247.254 228.671 254.751 1.00 0.00 C +TER 47 ARG A 46 +END diff --git a/Mammals/Q5G6W6/Q5G6W6.dcd b/Mammals/Q5G6W6/Q5G6W6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8bd8a5be0092ed5a8fb82dccbe6f2abb4d767774 --- /dev/null +++ b/Mammals/Q5G6W6/Q5G6W6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:11add1bf3bcb8e8628549d97b68a5cdb30babb3a87d572a283751c212318de2e +size 5960276 diff --git a/Mammals/Q5G6W6/top.pdb b/Mammals/Q5G6W6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ec4307cac6229cae28ad50b86d6c22d96dbe7cd1 --- /dev/null +++ b/Mammals/Q5G6W6/top.pdb @@ -0,0 +1,47 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA THR A 1 245.058 244.125 228.924 1.00 0.00 C +ATOM 2 CA VAL A 2 248.672 242.921 229.007 1.00 0.00 C +ATOM 3 CA THR A 3 251.951 244.843 228.739 1.00 0.00 C +ATOM 4 CA ALA A 4 250.906 248.409 227.896 1.00 0.00 C +ATOM 5 CA GLY A 5 247.744 250.166 229.091 1.00 0.00 C +ATOM 6 CA GLY A 6 244.601 249.697 231.192 1.00 0.00 C +ATOM 7 CA ARG A 7 242.311 252.656 231.908 1.00 0.00 C +ATOM 8 CA ALA A 8 240.371 255.819 231.041 1.00 0.00 C +ATOM 9 CA GLN A 9 237.766 258.599 231.035 1.00 0.00 C +ATOM 10 CA SER A 10 235.984 261.769 232.174 1.00 0.00 C +ATOM 11 CA ILE A 11 236.851 264.028 235.116 1.00 0.00 C +ATOM 12 CA GLY A 12 235.188 264.165 238.541 1.00 0.00 C +ATOM 13 CA ARG A 13 232.845 261.820 240.420 1.00 0.00 C +ATOM 14 CA ARG A 14 234.330 258.822 242.243 1.00 0.00 C +ATOM 15 CA GLY A 15 234.580 255.289 243.646 1.00 0.00 C +ATOM 16 CA LYS A 16 237.164 253.885 246.069 1.00 0.00 C +ATOM 17 CA VAL A 17 239.087 251.652 248.484 1.00 0.00 C +ATOM 18 CA GLU A 18 236.756 248.729 249.220 1.00 0.00 C +ATOM 19 CA GLN A 19 233.894 247.639 246.954 1.00 0.00 C +ATOM 20 CA LEU A 20 235.063 247.512 243.330 1.00 0.00 C +ATOM 21 CA SER A 21 238.419 246.036 242.292 1.00 0.00 C +ATOM 22 CA PRO A 22 241.825 244.365 241.944 1.00 0.00 C +ATOM 23 CA GLU A 23 244.650 246.863 242.489 1.00 0.00 C +ATOM 24 CA GLU A 24 246.848 249.540 244.075 1.00 0.00 C +ATOM 25 CA GLU A 25 249.859 250.233 246.305 1.00 0.00 C +ATOM 26 CA GLU A 26 250.894 248.511 249.542 1.00 0.00 C +ATOM 27 CA LYS A 27 252.908 245.293 249.871 1.00 0.00 C +ATOM 28 CA ARG A 28 255.626 244.641 252.460 1.00 0.00 C +ATOM 29 CA ARG A 29 256.086 247.194 255.251 1.00 0.00 C +ATOM 30 CA ILE A 30 257.915 249.844 257.288 1.00 0.00 C +ATOM 31 CA ARG A 31 259.808 251.831 259.930 1.00 0.00 C +ATOM 32 CA ARG A 32 262.739 254.263 260.037 1.00 0.00 C +ATOM 33 CA GLU A 33 266.326 253.429 261.016 1.00 0.00 C +ATOM 34 CA ARG A 34 267.260 250.188 262.788 1.00 0.00 C +ATOM 35 CA ASN A 35 266.905 248.679 266.269 1.00 0.00 C +ATOM 36 CA LYS A 36 264.392 250.413 268.547 1.00 0.00 C +ATOM 37 CA MET A 37 264.402 249.621 272.274 1.00 0.00 C +ATOM 38 CA ALA A 38 265.328 247.531 275.321 1.00 0.00 C +ATOM 39 CA ALA A 39 266.819 247.174 278.809 1.00 0.00 C +ATOM 40 CA ALA A 40 267.217 245.050 281.947 1.00 0.00 C +ATOM 41 CA LYS A 41 265.647 241.674 281.140 1.00 0.00 C +ATOM 42 CA CYS A 42 268.076 238.742 281.271 1.00 0.00 C +ATOM 43 CA ARG A 43 268.929 236.339 284.102 1.00 0.00 C +TER 44 ARG A 43 +END diff --git a/Mammals/Q5H9A3/Q5H9A3.dcd b/Mammals/Q5H9A3/Q5H9A3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..26943747abe99295402e1d05408bb86313774908 --- /dev/null +++ b/Mammals/Q5H9A3/Q5H9A3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:17548109c47976e6f8abf022f2cb755e6041413cf5f4c2d6e851eed7dad12ab8 +size 15920276 diff --git a/Mammals/Q5H9A3/top.pdb b/Mammals/Q5H9A3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8d1fc461a01fe487d72a1651f2d9297ccdd859c9 --- /dev/null +++ b/Mammals/Q5H9A3/top.pdb @@ -0,0 +1,130 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 251.543 248.240 265.758 1.00 0.00 C +ATOM 2 CA ASN A 2 254.185 245.546 265.233 1.00 0.00 C +ATOM 3 CA GLN A 3 255.469 243.475 268.162 1.00 0.00 C +ATOM 4 CA ASN A 4 252.623 241.386 269.594 1.00 0.00 C +ATOM 5 CA THR A 5 250.404 241.120 272.680 1.00 0.00 C +ATOM 6 CA ASP A 6 248.182 240.068 275.591 1.00 0.00 C +ATOM 7 CA LYS A 7 249.574 240.758 279.070 1.00 0.00 C +ATOM 8 CA ILE A 8 247.663 239.972 282.271 1.00 0.00 C +ATOM 9 CA SER A 9 245.610 241.899 284.838 1.00 0.00 C +ATOM 10 CA GLY A 10 244.663 241.694 288.522 1.00 0.00 C +ATOM 11 CA SER A 11 247.252 239.792 290.571 1.00 0.00 C +ATOM 12 CA GLY A 12 250.821 238.508 290.210 1.00 0.00 C +ATOM 13 CA SER A 13 252.474 240.010 287.123 1.00 0.00 C +ATOM 14 CA ASN A 14 255.089 240.769 284.458 1.00 0.00 C +ATOM 15 CA SER A 15 256.791 242.700 281.650 1.00 0.00 C +ATOM 16 CA ASP A 16 257.671 241.817 278.049 1.00 0.00 C +ATOM 17 CA MET A 17 258.203 243.087 274.497 1.00 0.00 C +ATOM 18 CA MET A 18 260.410 244.466 271.714 1.00 0.00 C +ATOM 19 CA GLU A 19 263.430 242.413 270.630 1.00 0.00 C +ATOM 20 CA ASN A 20 263.454 241.691 266.889 1.00 0.00 C +ATOM 21 CA SER A 21 264.124 241.688 263.138 1.00 0.00 C +ATOM 22 CA LYS A 22 265.509 241.850 259.593 1.00 0.00 C +ATOM 23 CA GLU A 23 263.784 244.674 257.704 1.00 0.00 C +ATOM 24 CA GLU A 24 265.435 247.938 258.769 1.00 0.00 C +ATOM 25 CA GLY A 25 268.168 248.882 261.251 1.00 0.00 C +ATOM 26 CA THR A 26 268.284 246.515 264.234 1.00 0.00 C +ATOM 27 CA SER A 27 269.931 243.192 265.106 1.00 0.00 C +ATOM 28 CA SER A 28 271.048 240.542 267.606 1.00 0.00 C +ATOM 29 CA SER A 29 269.261 237.177 267.655 1.00 0.00 C +ATOM 30 CA GLU A 30 267.367 234.028 268.660 1.00 0.00 C +ATOM 31 CA LYS A 31 264.163 232.849 270.352 1.00 0.00 C +ATOM 32 CA SER A 32 260.986 230.830 270.940 1.00 0.00 C +ATOM 33 CA LYS A 33 258.067 232.908 269.645 1.00 0.00 C +ATOM 34 CA SER A 34 255.058 235.242 269.541 1.00 0.00 C +ATOM 35 CA SER A 35 253.095 235.204 272.807 1.00 0.00 C +ATOM 36 CA GLY A 36 249.628 234.008 273.839 1.00 0.00 C +ATOM 37 CA SER A 37 247.212 231.271 272.750 1.00 0.00 C +ATOM 38 CA SER A 38 246.055 231.136 269.122 1.00 0.00 C +ATOM 39 CA ARG A 39 247.352 231.806 265.603 1.00 0.00 C +ATOM 40 CA SER A 40 250.513 232.903 263.782 1.00 0.00 C +ATOM 41 CA LYS A 41 250.334 235.246 260.783 1.00 0.00 C +ATOM 42 CA ARG A 42 253.185 235.128 258.258 1.00 0.00 C +ATOM 43 CA LYS A 43 252.745 237.688 255.470 1.00 0.00 C +ATOM 44 CA PRO A 44 252.215 238.669 251.827 1.00 0.00 C +ATOM 45 CA SER A 45 250.501 236.384 249.306 1.00 0.00 C +ATOM 46 CA ILE A 46 246.752 235.705 249.255 1.00 0.00 C +ATOM 47 CA VAL A 47 243.574 236.722 251.093 1.00 0.00 C +ATOM 48 CA THR A 48 240.270 234.999 251.889 1.00 0.00 C +ATOM 49 CA LYS A 49 237.942 234.800 248.880 1.00 0.00 C +ATOM 50 CA TYR A 50 239.605 235.209 245.476 1.00 0.00 C +ATOM 51 CA VAL A 51 241.781 237.929 243.933 1.00 0.00 C +ATOM 52 CA GLU A 52 244.362 240.702 243.531 1.00 0.00 C +ATOM 53 CA SER A 53 243.311 244.291 242.801 1.00 0.00 C +ATOM 54 CA ASP A 54 245.664 246.442 244.887 1.00 0.00 C +ATOM 55 CA ASP A 55 248.319 245.038 247.231 1.00 0.00 C +ATOM 56 CA GLU A 56 251.719 243.348 246.917 1.00 0.00 C +ATOM 57 CA LYS A 57 255.174 241.753 247.096 1.00 0.00 C +ATOM 58 CA PRO A 58 257.078 242.556 243.895 1.00 0.00 C +ATOM 59 CA LEU A 59 256.434 245.727 241.884 1.00 0.00 C +ATOM 60 CA ASP A 60 255.459 249.227 240.737 1.00 0.00 C +ATOM 61 CA ASP A 61 252.548 249.071 238.284 1.00 0.00 C +ATOM 62 CA GLU A 62 250.285 246.304 239.601 1.00 0.00 C +ATOM 63 CA THR A 63 246.745 246.564 238.216 1.00 0.00 C +ATOM 64 CA VAL A 64 243.916 248.982 237.401 1.00 0.00 C +ATOM 65 CA ASN A 65 242.289 251.914 239.211 1.00 0.00 C +ATOM 66 CA GLU A 66 244.341 255.104 238.845 1.00 0.00 C +ATOM 67 CA ASP A 67 245.114 258.786 239.444 1.00 0.00 C +ATOM 68 CA ALA A 68 248.338 260.789 239.104 1.00 0.00 C +ATOM 69 CA SER A 69 248.779 262.532 242.463 1.00 0.00 C +ATOM 70 CA ASN A 70 245.651 264.679 242.812 1.00 0.00 C +ATOM 71 CA GLU A 71 245.671 265.755 246.466 1.00 0.00 C +ATOM 72 CA ASN A 72 244.987 263.742 249.628 1.00 0.00 C +ATOM 73 CA SER A 73 247.295 260.783 250.286 1.00 0.00 C +ATOM 74 CA GLU A 74 248.624 257.389 249.177 1.00 0.00 C +ATOM 75 CA ASN A 75 250.449 255.404 251.869 1.00 0.00 C +ATOM 76 CA ASP A 76 252.250 255.621 255.219 1.00 0.00 C +ATOM 77 CA ILE A 77 250.988 257.266 258.415 1.00 0.00 C +ATOM 78 CA THR A 78 251.163 260.933 259.432 1.00 0.00 C +ATOM 79 CA MET A 79 251.514 263.026 256.268 1.00 0.00 C +ATOM 80 CA GLN A 80 253.202 261.562 253.181 1.00 0.00 C +ATOM 81 CA SER A 81 256.766 262.888 252.950 1.00 0.00 C +ATOM 82 CA LEU A 82 260.156 263.862 251.508 1.00 0.00 C +ATOM 83 CA PRO A 83 263.556 265.532 251.098 1.00 0.00 C +ATOM 84 CA LYS A 84 263.290 267.736 248.002 1.00 0.00 C +ATOM 85 CA GLY A 85 260.046 266.965 246.158 1.00 0.00 C +ATOM 86 CA THR A 86 259.699 263.555 244.496 1.00 0.00 C +ATOM 87 CA VAL A 87 259.493 262.070 240.993 1.00 0.00 C +ATOM 88 CA ILE A 88 257.800 258.787 240.056 1.00 0.00 C +ATOM 89 CA VAL A 89 257.439 258.822 236.264 1.00 0.00 C +ATOM 90 CA GLN A 90 255.645 256.257 234.092 1.00 0.00 C +ATOM 91 CA PRO A 91 256.865 254.684 230.843 1.00 0.00 C +ATOM 92 CA GLU A 92 257.926 256.667 227.768 1.00 0.00 C +ATOM 93 CA PRO A 93 256.637 260.006 226.462 1.00 0.00 C +ATOM 94 CA VAL A 94 252.895 260.724 226.497 1.00 0.00 C +ATOM 95 CA LEU A 95 250.085 258.865 228.275 1.00 0.00 C +ATOM 96 CA ASN A 96 247.935 255.887 227.264 1.00 0.00 C +ATOM 97 CA GLU A 97 250.194 252.820 227.377 1.00 0.00 C +ATOM 98 CA ASP A 98 249.759 249.527 225.511 1.00 0.00 C +ATOM 99 CA LYS A 99 246.994 249.193 222.911 1.00 0.00 C +ATOM 100 CA ASP A 100 244.391 248.837 220.152 1.00 0.00 C +ATOM 101 CA ASP A 101 243.945 252.041 218.139 1.00 0.00 C +ATOM 102 CA PHE A 102 242.698 254.326 215.357 1.00 0.00 C +ATOM 103 CA LYS A 103 241.485 257.867 216.067 1.00 0.00 C +ATOM 104 CA GLY A 104 240.692 261.593 216.147 1.00 0.00 C +ATOM 105 CA PRO A 105 238.431 264.630 216.571 1.00 0.00 C +ATOM 106 CA GLU A 106 235.030 264.958 214.885 1.00 0.00 C +ATOM 107 CA PHE A 107 232.071 266.472 216.747 1.00 0.00 C +ATOM 108 CA ARG A 108 230.720 265.287 220.106 1.00 0.00 C +ATOM 109 CA SER A 109 233.643 265.728 222.510 1.00 0.00 C +ATOM 110 CA ARG A 110 234.656 269.045 224.086 1.00 0.00 C +ATOM 111 CA SER A 111 235.105 270.096 227.720 1.00 0.00 C +ATOM 112 CA LYS A 112 236.963 272.330 230.184 1.00 0.00 C +ATOM 113 CA MET A 113 240.751 271.981 229.967 1.00 0.00 C +ATOM 114 CA LYS A 114 241.581 268.300 229.438 1.00 0.00 C +ATOM 115 CA THR A 115 238.708 266.456 231.129 1.00 0.00 C +ATOM 116 CA GLU A 116 236.169 265.019 233.579 1.00 0.00 C +ATOM 117 CA ASN A 117 235.192 261.353 233.925 1.00 0.00 C +ATOM 118 CA LEU A 118 237.309 258.947 235.986 1.00 0.00 C +ATOM 119 CA LYS A 119 237.344 258.943 239.796 1.00 0.00 C +ATOM 120 CA LYS A 120 239.977 258.897 242.550 1.00 0.00 C +ATOM 121 CA ARG A 121 240.692 255.856 244.731 1.00 0.00 C +ATOM 122 CA GLY A 122 241.028 255.309 248.486 1.00 0.00 C +ATOM 123 CA GLY A 123 242.419 252.133 250.068 1.00 0.00 C +ATOM 124 CA LYS A 124 240.444 249.699 252.234 1.00 0.00 C +ATOM 125 CA TYR A 125 237.004 249.522 253.861 1.00 0.00 C +ATOM 126 CA LYS A 126 237.249 251.704 256.975 1.00 0.00 C +TER 127 LYS A 126 +END diff --git a/Mammals/Q5H9L2/Q5H9L2.dcd b/Mammals/Q5H9L2/Q5H9L2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f1481c9fb1b0bc9eafb1c3bf9ea12e693f4c1e1c --- /dev/null +++ b/Mammals/Q5H9L2/Q5H9L2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2fc292eebe44d786242175987a32d3a0602cdd562eaff5e3cdb90fc3c8e4dde7 +size 38280276 diff --git a/Mammals/Q5H9L2/top.pdb b/Mammals/Q5H9L2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..db6de474475241ac24bab1389897da0686f5bf88 --- /dev/null +++ b/Mammals/Q5H9L2/top.pdb @@ -0,0 +1,210 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 232.773 174.798 252.113 1.00 0.00 C +ATOM 2 CA GLU A 2 230.185 177.434 251.182 1.00 0.00 C +ATOM 3 CA LYS A 3 226.664 178.199 249.943 1.00 0.00 C +ATOM 4 CA LEU A 4 223.905 175.797 248.877 1.00 0.00 C +ATOM 5 CA TYR A 5 221.291 176.568 246.214 1.00 0.00 C +ATOM 6 CA LYS A 6 219.816 180.078 246.062 1.00 0.00 C +ATOM 7 CA GLU A 7 221.734 183.255 246.927 1.00 0.00 C +ATOM 8 CA ASN A 8 224.908 183.294 244.820 1.00 0.00 C +ATOM 9 CA GLU A 9 226.633 180.559 242.805 1.00 0.00 C +ATOM 10 CA GLY A 10 230.286 179.915 241.937 1.00 0.00 C +ATOM 11 CA LYS A 11 232.834 177.169 241.237 1.00 0.00 C +ATOM 12 CA PRO A 12 233.915 173.534 241.596 1.00 0.00 C +ATOM 13 CA GLU A 13 233.916 170.020 240.124 1.00 0.00 C +ATOM 14 CA ASN A 14 233.917 170.411 236.334 1.00 0.00 C +ATOM 15 CA GLU A 15 233.197 172.358 233.139 1.00 0.00 C +ATOM 16 CA ARG A 16 236.356 174.398 232.523 1.00 0.00 C +ATOM 17 CA ASN A 17 238.190 177.623 233.390 1.00 0.00 C +ATOM 18 CA LEU A 18 238.370 181.403 233.832 1.00 0.00 C +ATOM 19 CA GLU A 19 238.061 182.097 237.566 1.00 0.00 C +ATOM 20 CA SER A 20 238.693 179.420 240.202 1.00 0.00 C +ATOM 21 CA GLU A 21 240.671 177.134 242.522 1.00 0.00 C +ATOM 22 CA GLY A 22 243.683 176.985 244.850 1.00 0.00 C +ATOM 23 CA LYS A 23 244.943 174.571 247.515 1.00 0.00 C +ATOM 24 CA PRO A 24 245.547 173.650 251.162 1.00 0.00 C +ATOM 25 CA GLU A 25 248.470 172.820 253.461 1.00 0.00 C +ATOM 26 CA ASP A 26 251.985 173.646 254.678 1.00 0.00 C +ATOM 27 CA GLU A 27 255.547 174.995 254.765 1.00 0.00 C +ATOM 28 CA GLY A 28 256.852 173.954 258.190 1.00 0.00 C +ATOM 29 CA SER A 29 260.508 173.001 258.682 1.00 0.00 C +ATOM 30 CA THR A 30 262.972 175.155 260.634 1.00 0.00 C +ATOM 31 CA GLU A 31 264.258 178.151 258.664 1.00 0.00 C +ATOM 32 CA ASP A 32 262.303 181.135 257.328 1.00 0.00 C +ATOM 33 CA GLU A 33 262.681 184.454 259.161 1.00 0.00 C +ATOM 34 CA GLY A 34 259.537 184.988 261.245 1.00 0.00 C +ATOM 35 CA LYS A 35 258.346 187.505 263.846 1.00 0.00 C +ATOM 36 CA SER A 36 257.247 190.248 266.251 1.00 0.00 C +ATOM 37 CA ASP A 37 257.993 190.432 269.983 1.00 0.00 C +ATOM 38 CA GLU A 38 259.873 192.415 272.638 1.00 0.00 C +ATOM 39 CA GLU A 39 260.011 195.667 274.619 1.00 0.00 C +ATOM 40 CA GLU A 40 262.140 198.238 276.455 1.00 0.00 C +ATOM 41 CA LYS A 41 263.805 201.594 275.760 1.00 0.00 C +ATOM 42 CA PRO A 42 262.993 202.688 272.202 1.00 0.00 C +ATOM 43 CA ASP A 43 264.762 201.214 269.167 1.00 0.00 C +ATOM 44 CA MET A 44 267.784 199.149 270.224 1.00 0.00 C +ATOM 45 CA GLU A 45 270.973 200.472 268.613 1.00 0.00 C +ATOM 46 CA GLY A 46 273.067 203.654 268.718 1.00 0.00 C +ATOM 47 CA LYS A 47 270.906 206.626 269.723 1.00 0.00 C +ATOM 48 CA THR A 48 267.745 207.017 271.813 1.00 0.00 C +ATOM 49 CA GLU A 49 267.222 207.637 275.536 1.00 0.00 C +ATOM 50 CA CYS A 50 264.725 208.020 278.388 1.00 0.00 C +ATOM 51 CA GLU A 51 265.287 210.775 280.959 1.00 0.00 C +ATOM 52 CA GLY A 52 262.998 211.204 283.974 1.00 0.00 C +ATOM 53 CA LYS A 53 259.319 210.467 283.310 1.00 0.00 C +ATOM 54 CA ARG A 54 256.612 209.060 285.591 1.00 0.00 C +ATOM 55 CA GLU A 55 256.915 211.111 288.788 1.00 0.00 C +ATOM 56 CA ASP A 56 257.703 214.557 290.209 1.00 0.00 C +ATOM 57 CA GLU A 57 257.941 217.555 292.548 1.00 0.00 C +ATOM 58 CA GLY A 58 255.870 219.631 294.981 1.00 0.00 C +ATOM 59 CA GLU A 59 253.529 217.997 297.504 1.00 0.00 C +ATOM 60 CA PRO A 60 250.847 216.293 299.606 1.00 0.00 C +ATOM 61 CA GLY A 61 249.701 215.574 303.168 1.00 0.00 C +ATOM 62 CA ASP A 62 249.733 218.540 305.559 1.00 0.00 C +ATOM 63 CA GLU A 63 247.235 221.255 304.607 1.00 0.00 C +ATOM 64 CA GLY A 64 243.821 219.923 303.562 1.00 0.00 C +ATOM 65 CA GLN A 65 242.813 218.843 300.050 1.00 0.00 C +ATOM 66 CA LEU A 66 245.525 219.560 297.472 1.00 0.00 C +ATOM 67 CA GLU A 67 244.953 218.343 293.908 1.00 0.00 C +ATOM 68 CA ASP A 68 244.726 221.268 291.477 1.00 0.00 C +ATOM 69 CA GLU A 69 247.825 223.431 290.998 1.00 0.00 C +ATOM 70 CA GLY A 70 249.334 224.658 287.722 1.00 0.00 C +ATOM 71 CA ASN A 71 247.696 227.881 286.520 1.00 0.00 C +ATOM 72 CA GLN A 72 247.204 231.577 285.736 1.00 0.00 C +ATOM 73 CA GLU A 73 248.550 233.276 282.603 1.00 0.00 C +ATOM 74 CA LYS A 74 251.847 233.641 280.728 1.00 0.00 C +ATOM 75 CA GLN A 75 253.431 236.945 281.773 1.00 0.00 C +ATOM 76 CA GLY A 76 255.009 239.208 284.401 1.00 0.00 C +ATOM 77 CA LYS A 77 258.189 241.204 283.751 1.00 0.00 C +ATOM 78 CA SER A 78 258.244 244.842 282.622 1.00 0.00 C +ATOM 79 CA GLU A 79 261.621 246.421 283.411 1.00 0.00 C +ATOM 80 CA GLY A 80 263.413 248.135 280.518 1.00 0.00 C +ATOM 81 CA GLU A 81 261.823 250.312 277.826 1.00 0.00 C +ATOM 82 CA ASP A 82 258.546 251.777 276.549 1.00 0.00 C +ATOM 83 CA LYS A 83 256.842 252.775 273.291 1.00 0.00 C +ATOM 84 CA PRO A 84 257.435 254.309 269.854 1.00 0.00 C +ATOM 85 CA GLN A 85 254.644 256.832 269.252 1.00 0.00 C +ATOM 86 CA SER A 86 255.078 260.289 267.710 1.00 0.00 C +ATOM 87 CA GLU A 87 252.741 263.265 267.269 1.00 0.00 C +ATOM 88 CA GLY A 88 253.749 266.934 267.473 1.00 0.00 C +ATOM 89 CA LYS A 89 257.237 268.270 266.721 1.00 0.00 C +ATOM 90 CA PRO A 90 260.730 266.750 266.689 1.00 0.00 C +ATOM 91 CA ALA A 91 263.863 268.886 267.060 1.00 0.00 C +ATOM 92 CA SER A 92 264.118 272.433 268.429 1.00 0.00 C +ATOM 93 CA GLN A 93 266.806 274.891 269.546 1.00 0.00 C +ATOM 94 CA ALA A 94 269.622 275.865 267.172 1.00 0.00 C +ATOM 95 CA LYS A 95 271.955 278.600 265.911 1.00 0.00 C +ATOM 96 CA PRO A 96 272.475 278.593 262.136 1.00 0.00 C +ATOM 97 CA GLU A 97 272.700 281.657 259.883 1.00 0.00 C +ATOM 98 CA SER A 98 274.725 284.297 258.027 1.00 0.00 C +ATOM 99 CA GLN A 99 277.904 282.791 256.563 1.00 0.00 C +ATOM 100 CA PRO A 100 278.057 280.444 253.565 1.00 0.00 C +ATOM 101 CA ARG A 101 281.746 280.194 252.648 1.00 0.00 C +ATOM 102 CA ALA A 102 285.092 280.687 250.893 1.00 0.00 C +ATOM 103 CA ALA A 103 286.204 280.219 247.279 1.00 0.00 C +ATOM 104 CA GLU A 104 287.324 277.988 244.401 1.00 0.00 C +ATOM 105 CA LYS A 105 286.514 274.446 245.548 1.00 0.00 C +ATOM 106 CA ARG A 106 284.962 272.107 242.972 1.00 0.00 C +ATOM 107 CA PRO A 107 281.944 271.691 240.685 1.00 0.00 C +ATOM 108 CA ALA A 108 282.335 269.652 237.490 1.00 0.00 C +ATOM 109 CA GLU A 109 279.866 268.079 235.051 1.00 0.00 C +ATOM 110 CA ASP A 110 276.441 266.650 235.912 1.00 0.00 C +ATOM 111 CA TYR A 111 272.955 268.093 236.443 1.00 0.00 C +ATOM 112 CA VAL A 112 272.189 271.715 235.542 1.00 0.00 C +ATOM 113 CA PRO A 113 272.652 272.868 231.940 1.00 0.00 C +ATOM 114 CA ARG A 114 275.716 274.389 230.264 1.00 0.00 C +ATOM 115 CA LYS A 115 278.106 276.630 228.319 1.00 0.00 C +ATOM 116 CA ALA A 116 277.952 275.830 224.597 1.00 0.00 C +ATOM 117 CA LYS A 117 280.356 277.375 222.077 1.00 0.00 C +ATOM 118 CA ARG A 118 281.915 280.399 220.362 1.00 0.00 C +ATOM 119 CA LYS A 119 283.964 283.547 219.725 1.00 0.00 C +ATOM 120 CA THR A 120 287.245 284.725 218.187 1.00 0.00 C +ATOM 121 CA ASP A 121 288.236 285.736 214.650 1.00 0.00 C +ATOM 122 CA ARG A 122 285.464 285.311 212.072 1.00 0.00 C +ATOM 123 CA GLY A 123 282.175 287.233 212.178 1.00 0.00 C +ATOM 124 CA THR A 124 279.040 286.709 214.277 1.00 0.00 C +ATOM 125 CA ASP A 125 275.809 288.617 214.941 1.00 0.00 C +ATOM 126 CA ASP A 126 274.409 291.986 213.843 1.00 0.00 C +ATOM 127 CA SER A 127 273.732 294.320 216.777 1.00 0.00 C +ATOM 128 CA PRO A 128 273.410 296.166 220.094 1.00 0.00 C +ATOM 129 CA LYS A 129 272.591 294.137 223.213 1.00 0.00 C +ATOM 130 CA ASP A 130 274.930 291.169 223.696 1.00 0.00 C +ATOM 131 CA SER A 131 275.073 287.428 222.987 1.00 0.00 C +ATOM 132 CA GLN A 132 273.907 284.191 224.623 1.00 0.00 C +ATOM 133 CA GLU A 133 273.908 284.406 228.427 1.00 0.00 C +ATOM 134 CA ASP A 134 273.111 282.498 231.627 1.00 0.00 C +ATOM 135 CA LEU A 135 274.434 282.933 235.173 1.00 0.00 C +ATOM 136 CA GLN A 136 272.974 284.626 238.258 1.00 0.00 C +ATOM 137 CA GLU A 137 271.304 282.013 240.472 1.00 0.00 C +ATOM 138 CA ARG A 138 267.842 282.552 241.968 1.00 0.00 C +ATOM 139 CA HIS A 139 266.153 284.548 244.739 1.00 0.00 C +ATOM 140 CA LEU A 140 263.303 282.526 246.257 1.00 0.00 C +ATOM 141 CA SER A 141 262.802 283.201 249.974 1.00 0.00 C +ATOM 142 CA SER A 142 261.932 284.327 253.508 1.00 0.00 C +ATOM 143 CA GLU A 143 261.042 283.559 257.132 1.00 0.00 C +ATOM 144 CA GLU A 144 263.852 285.037 259.238 1.00 0.00 C +ATOM 145 CA MET A 145 267.216 285.755 257.598 1.00 0.00 C +ATOM 146 CA MET A 146 268.583 284.889 254.149 1.00 0.00 C +ATOM 147 CA ARG A 147 271.349 282.429 253.247 1.00 0.00 C +ATOM 148 CA GLU A 148 271.590 279.193 251.250 1.00 0.00 C +ATOM 149 CA CYS A 149 271.824 279.690 247.480 1.00 0.00 C +ATOM 150 CA GLY A 150 274.457 282.249 246.464 1.00 0.00 C +ATOM 151 CA ASP A 151 275.773 285.733 245.661 1.00 0.00 C +ATOM 152 CA VAL A 152 273.778 288.192 247.780 1.00 0.00 C +ATOM 153 CA SER A 153 270.526 290.078 247.157 1.00 0.00 C +ATOM 154 CA ARG A 154 268.670 293.260 246.185 1.00 0.00 C +ATOM 155 CA ALA A 155 267.180 295.082 243.188 1.00 0.00 C +ATOM 156 CA GLN A 156 264.450 295.909 240.663 1.00 0.00 C +ATOM 157 CA GLU A 157 261.173 293.998 240.308 1.00 0.00 C +ATOM 158 CA GLU A 158 257.994 291.914 240.064 1.00 0.00 C +ATOM 159 CA LEU A 159 254.866 291.979 242.238 1.00 0.00 C +ATOM 160 CA ARG A 160 251.991 293.556 240.297 1.00 0.00 C +ATOM 161 CA LYS A 161 249.012 292.514 238.163 1.00 0.00 C +ATOM 162 CA LYS A 162 245.703 293.572 236.600 1.00 0.00 C +ATOM 163 CA GLN A 163 242.334 292.629 238.109 1.00 0.00 C +ATOM 164 CA LYS A 164 239.398 292.862 235.691 1.00 0.00 C +ATOM 165 CA MET A 165 237.215 290.563 233.579 1.00 0.00 C +ATOM 166 CA GLY A 166 233.481 291.311 233.714 1.00 0.00 C +ATOM 167 CA GLY A 167 230.071 290.307 232.344 1.00 0.00 C +ATOM 168 CA PHE A 168 228.873 287.169 230.544 1.00 0.00 C +ATOM 169 CA HIS A 169 226.251 284.470 229.950 1.00 0.00 C +ATOM 170 CA TRP A 170 222.930 285.946 228.805 1.00 0.00 C +ATOM 171 CA MET A 171 219.536 284.539 227.797 1.00 0.00 C +ATOM 172 CA GLN A 172 218.650 283.805 224.165 1.00 0.00 C +ATOM 173 CA ARG A 173 215.416 282.337 222.783 1.00 0.00 C +ATOM 174 CA ASP A 174 213.260 280.419 220.296 1.00 0.00 C +ATOM 175 CA VAL A 175 214.379 276.789 220.580 1.00 0.00 C +ATOM 176 CA GLN A 176 216.772 275.993 223.436 1.00 0.00 C +ATOM 177 CA ASP A 177 220.092 277.536 222.380 1.00 0.00 C +ATOM 178 CA PRO A 178 222.077 280.017 220.278 1.00 0.00 C +ATOM 179 CA PHE A 179 221.701 280.977 216.610 1.00 0.00 C +ATOM 180 CA ALA A 180 221.191 284.682 215.883 1.00 0.00 C +ATOM 181 CA PRO A 181 219.633 285.590 212.527 1.00 0.00 C +ATOM 182 CA ARG A 182 217.482 288.104 210.636 1.00 0.00 C +ATOM 183 CA GLY A 183 213.835 288.599 211.619 1.00 0.00 C +ATOM 184 CA GLN A 184 212.774 288.855 215.270 1.00 0.00 C +ATOM 185 CA ARG A 185 210.853 287.291 218.164 1.00 0.00 C +ATOM 186 CA GLY A 186 210.447 285.659 221.583 1.00 0.00 C +ATOM 187 CA VAL A 187 208.755 286.029 224.976 1.00 0.00 C +ATOM 188 CA ARG A 188 208.400 282.571 226.537 1.00 0.00 C +ATOM 189 CA GLY A 189 205.013 281.634 228.007 1.00 0.00 C +ATOM 190 CA VAL A 190 202.962 283.137 230.844 1.00 0.00 C +ATOM 191 CA ARG A 191 200.459 282.229 233.569 1.00 0.00 C +ATOM 192 CA GLY A 192 197.221 284.190 234.007 1.00 0.00 C +ATOM 193 CA GLY A 193 195.115 283.574 237.122 1.00 0.00 C +ATOM 194 CA GLY A 194 191.556 284.903 236.838 1.00 0.00 C +ATOM 195 CA ARG A 195 190.539 287.031 233.845 1.00 0.00 C +ATOM 196 CA GLY A 196 190.700 288.520 230.342 1.00 0.00 C +ATOM 197 CA GLN A 197 193.402 291.172 229.915 1.00 0.00 C +ATOM 198 CA LYS A 198 193.792 292.806 233.334 1.00 0.00 C +ATOM 199 CA ASP A 199 193.645 296.554 234.007 1.00 0.00 C +ATOM 200 CA LEU A 200 197.198 297.925 234.088 1.00 0.00 C +ATOM 201 CA GLU A 201 199.122 297.174 237.290 1.00 0.00 C +ATOM 202 CA ASP A 202 197.640 294.597 239.672 1.00 0.00 C +ATOM 203 CA VAL A 203 198.126 290.988 240.793 1.00 0.00 C +ATOM 204 CA PRO A 204 200.547 288.049 240.654 1.00 0.00 C +ATOM 205 CA TYR A 205 203.721 285.957 240.404 1.00 0.00 C +ATOM 206 CA VAL A 206 206.252 283.314 241.467 1.00 0.00 C +TER 207 VAL A 206 +END diff --git a/Mammals/Q5H9Q2/Q5H9Q2.dcd b/Mammals/Q5H9Q2/Q5H9Q2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..6317f87f3d2697ea53a2aa9b71570146b04aa4e8 --- /dev/null +++ b/Mammals/Q5H9Q2/Q5H9Q2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5cad1bf1cb2e3b0a16f4f3199f9382b989b301650865e81e78750766816261b7 +size 5720276 diff --git a/Mammals/Q5H9Q2/top.pdb b/Mammals/Q5H9Q2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c454def74cb8558767cdad83f80b70cca992e3a4 --- /dev/null +++ b/Mammals/Q5H9Q2/top.pdb @@ -0,0 +1,45 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 226.139 241.273 230.794 1.00 0.00 C +ATOM 2 CA MET A 2 224.682 237.951 229.628 1.00 0.00 C +ATOM 3 CA THR A 3 226.800 235.160 231.125 1.00 0.00 C +ATOM 4 CA SER A 4 229.264 235.932 233.928 1.00 0.00 C +ATOM 5 CA VAL A 5 230.598 238.410 236.495 1.00 0.00 C +ATOM 6 CA SER A 6 228.076 238.429 239.351 1.00 0.00 C +ATOM 7 CA SER A 7 229.291 239.790 242.695 1.00 0.00 C +ATOM 8 CA ASP A 8 228.774 242.459 245.365 1.00 0.00 C +ATOM 9 CA HIS A 9 228.958 246.204 246.039 1.00 0.00 C +ATOM 10 CA CYS A 10 229.128 249.968 245.471 1.00 0.00 C +ATOM 11 CA ARG A 11 232.805 250.899 245.108 1.00 0.00 C +ATOM 12 CA GLY A 12 235.068 247.835 245.026 1.00 0.00 C +ATOM 13 CA ALA A 13 237.526 248.473 242.185 1.00 0.00 C +ATOM 14 CA GLN A 14 240.926 249.887 243.161 1.00 0.00 C +ATOM 15 CA GLU A 15 244.394 248.397 242.642 1.00 0.00 C +ATOM 16 CA LYS A 16 246.905 250.659 240.884 1.00 0.00 C +ATOM 17 CA PRO A 17 245.423 253.662 239.066 1.00 0.00 C +ATOM 18 CA GLN A 18 246.953 257.018 240.020 1.00 0.00 C +ATOM 19 CA ILE A 19 249.209 259.138 242.242 1.00 0.00 C +ATOM 20 CA SER A 20 249.571 261.285 245.368 1.00 0.00 C +ATOM 21 CA ALA A 21 248.798 259.045 248.352 1.00 0.00 C +ATOM 22 CA ALA A 22 248.607 258.788 252.148 1.00 0.00 C +ATOM 23 CA GLN A 23 250.301 261.957 253.413 1.00 0.00 C +ATOM 24 CA SER A 24 253.009 263.782 255.376 1.00 0.00 C +ATOM 25 CA THR A 25 256.234 261.947 256.238 1.00 0.00 C +ATOM 26 CA GLN A 26 257.226 258.799 258.141 1.00 0.00 C +ATOM 27 CA PRO A 27 260.177 258.089 260.444 1.00 0.00 C +ATOM 28 CA GLN A 28 262.727 257.059 263.081 1.00 0.00 C +ATOM 29 CA LYS A 29 265.600 254.794 264.146 1.00 0.00 C +ATOM 30 CA GLN A 30 266.860 251.789 266.121 1.00 0.00 C +ATOM 31 CA VAL A 31 266.387 248.577 268.114 1.00 0.00 C +ATOM 32 CA VAL A 32 269.319 246.148 268.251 1.00 0.00 C +ATOM 33 CA GLN A 33 271.080 242.786 267.914 1.00 0.00 C +ATOM 34 CA LEU A 34 272.515 241.778 264.532 1.00 0.00 C +ATOM 35 CA TYR A 35 272.700 242.532 260.802 1.00 0.00 C +ATOM 36 CA ARG A 36 270.127 244.424 258.724 1.00 0.00 C +ATOM 37 CA PRO A 37 270.489 248.215 258.591 1.00 0.00 C +ATOM 38 CA LEU A 38 268.632 250.950 256.697 1.00 0.00 C +ATOM 39 CA ASP A 39 266.740 253.875 255.154 1.00 0.00 C +ATOM 40 CA THR A 40 269.278 255.534 252.847 1.00 0.00 C +ATOM 41 CA SER A 41 272.705 256.305 254.321 1.00 0.00 C +TER 42 SER A 41 +END diff --git a/Mammals/Q5ISA7/Q5ISA7.dcd b/Mammals/Q5ISA7/Q5ISA7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..cdba025e7957ea8340fbcf40c1ae8049267ab16c --- /dev/null +++ b/Mammals/Q5ISA7/Q5ISA7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7d0937161fc329a6676f52da1b89be13b299e806e3ece3a1062350cf7f78fb3a +size 11240276 diff --git a/Mammals/Q5ISA7/top.pdb b/Mammals/Q5ISA7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8aae692da58c28b7ff111f3fd0f0c52946a62b5e --- /dev/null +++ b/Mammals/Q5ISA7/top.pdb @@ -0,0 +1,91 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA TYR A 1 243.215 272.863 220.107 1.00 0.00 C +ATOM 2 CA SER A 2 244.660 273.346 223.599 1.00 0.00 C +ATOM 3 CA ILE A 3 248.359 273.126 224.485 1.00 0.00 C +ATOM 4 CA LEU A 4 251.804 273.780 222.997 1.00 0.00 C +ATOM 5 CA ARG A 5 253.085 277.190 224.113 1.00 0.00 C +ATOM 6 CA GLU A 6 254.986 277.031 227.411 1.00 0.00 C +ATOM 7 CA GLU A 7 256.467 280.382 228.458 1.00 0.00 C +ATOM 8 CA ARG A 8 259.236 280.578 231.067 1.00 0.00 C +ATOM 9 CA GLU A 9 259.981 283.094 233.830 1.00 0.00 C +ATOM 10 CA ALA A 10 262.259 283.276 236.878 1.00 0.00 C +ATOM 11 CA GLU A 11 263.511 286.202 238.974 1.00 0.00 C +ATOM 12 CA LEU A 12 264.082 289.909 238.304 1.00 0.00 C +ATOM 13 CA ASP A 13 267.522 291.452 237.760 1.00 0.00 C +ATOM 14 CA SER A 14 270.537 292.657 239.755 1.00 0.00 C +ATOM 15 CA GLU A 15 273.673 291.088 238.264 1.00 0.00 C +ATOM 16 CA LEU A 16 274.567 287.514 237.295 1.00 0.00 C +ATOM 17 CA ILE A 17 275.761 285.027 234.667 1.00 0.00 C +ATOM 18 CA ILE A 18 277.259 283.394 231.568 1.00 0.00 C +ATOM 19 CA GLU A 19 276.976 279.941 229.983 1.00 0.00 C +ATOM 20 CA SER A 20 279.216 277.456 231.806 1.00 0.00 C +ATOM 21 CA CYS A 21 277.824 274.458 233.701 1.00 0.00 C +ATOM 22 CA ASP A 22 274.525 275.440 235.334 1.00 0.00 C +ATOM 23 CA ALA A 23 270.941 274.303 234.715 1.00 0.00 C +ATOM 24 CA SER A 24 268.363 273.314 237.341 1.00 0.00 C +ATOM 25 CA SER A 25 268.278 273.581 241.140 1.00 0.00 C +ATOM 26 CA ALA A 26 267.084 277.024 242.252 1.00 0.00 C +ATOM 27 CA SER A 27 263.998 279.089 243.107 1.00 0.00 C +ATOM 28 CA GLU A 28 260.707 277.203 243.458 1.00 0.00 C +ATOM 29 CA GLU A 29 259.724 273.836 241.971 1.00 0.00 C +ATOM 30 CA SER A 30 261.686 270.625 242.570 1.00 0.00 C +ATOM 31 CA PRO A 31 264.041 269.212 245.211 1.00 0.00 C +ATOM 32 CA LYS A 32 263.116 266.212 247.369 1.00 0.00 C +ATOM 33 CA ARG A 33 262.534 266.882 251.074 1.00 0.00 C +ATOM 34 CA GLU A 34 264.760 266.174 254.084 1.00 0.00 C +ATOM 35 CA GLN A 35 265.825 266.154 257.742 1.00 0.00 C +ATOM 36 CA ASP A 36 265.315 262.556 258.888 1.00 0.00 C +ATOM 37 CA SER A 37 266.582 259.852 261.254 1.00 0.00 C +ATOM 38 CA PRO A 38 267.914 256.482 262.431 1.00 0.00 C +ATOM 39 CA PRO A 39 265.488 253.547 262.321 1.00 0.00 C +ATOM 40 CA MET A 40 261.800 252.852 261.663 1.00 0.00 C +ATOM 41 CA LYS A 41 261.669 249.184 260.639 1.00 0.00 C +ATOM 42 CA PRO A 42 261.693 245.450 259.887 1.00 0.00 C +ATOM 43 CA ARG A 43 262.409 241.848 258.871 1.00 0.00 C +ATOM 44 CA ALA A 44 260.298 240.726 255.905 1.00 0.00 C +ATOM 45 CA LEU A 45 256.911 239.689 257.309 1.00 0.00 C +ATOM 46 CA ASP A 46 253.597 238.852 258.991 1.00 0.00 C +ATOM 47 CA ALA A 47 250.639 236.487 259.414 1.00 0.00 C +ATOM 48 CA ILE A 48 251.538 233.090 260.886 1.00 0.00 C +ATOM 49 CA ARG A 49 248.960 230.847 262.570 1.00 0.00 C +ATOM 50 CA GLU A 50 248.252 230.855 266.314 1.00 0.00 C +ATOM 51 CA GLU A 51 244.629 230.142 267.256 1.00 0.00 C +ATOM 52 CA THR A 52 242.164 231.864 269.596 1.00 0.00 C +ATOM 53 CA GLY A 53 241.332 230.415 273.020 1.00 0.00 C +ATOM 54 CA ALA A 54 238.972 227.436 273.291 1.00 0.00 C +ATOM 55 CA ARG A 55 240.277 223.901 273.853 1.00 0.00 C +ATOM 56 CA ALA A 56 242.787 221.154 274.673 1.00 0.00 C +ATOM 57 CA GLU A 57 244.095 217.730 273.634 1.00 0.00 C +ATOM 58 CA GLU A 58 241.196 215.438 272.709 1.00 0.00 C +ATOM 59 CA ARG A 59 239.612 216.560 269.431 1.00 0.00 C +ATOM 60 CA VAL A 60 239.358 218.697 266.287 1.00 0.00 C +ATOM 61 CA PRO A 61 240.401 222.225 265.294 1.00 0.00 C +ATOM 62 CA SER A 62 239.130 225.568 266.608 1.00 0.00 C +ATOM 63 CA ARG A 63 238.359 229.038 265.239 1.00 0.00 C +ATOM 64 CA GLN A 64 235.179 230.400 263.642 1.00 0.00 C +ATOM 65 CA GLY A 65 232.344 228.565 261.878 1.00 0.00 C +ATOM 66 CA LEU A 66 231.697 230.209 258.502 1.00 0.00 C +ATOM 67 CA THR A 67 232.047 231.639 254.988 1.00 0.00 C +ATOM 68 CA GLU A 68 231.526 234.814 252.947 1.00 0.00 C +ATOM 69 CA PRO A 69 231.158 234.141 249.215 1.00 0.00 C +ATOM 70 CA GLY A 70 228.423 231.731 248.107 1.00 0.00 C +ATOM 71 CA SER A 71 225.614 231.558 250.675 1.00 0.00 C +ATOM 72 CA PHE A 72 221.875 232.054 251.218 1.00 0.00 C +ATOM 73 CA LEU A 73 218.971 230.602 253.211 1.00 0.00 C +ATOM 74 CA GLU A 74 219.258 228.228 256.177 1.00 0.00 C +ATOM 75 CA TYR A 75 217.312 225.083 257.092 1.00 0.00 C +ATOM 76 CA PRO A 76 217.815 222.780 254.099 1.00 0.00 C +ATOM 77 CA SER A 77 219.338 219.439 255.116 1.00 0.00 C +ATOM 78 CA ALA A 78 222.267 218.674 252.803 1.00 0.00 C +ATOM 79 CA GLU A 79 224.190 221.956 252.595 1.00 0.00 C +ATOM 80 CA PRO A 80 227.508 223.756 252.077 1.00 0.00 C +ATOM 81 CA GLN A 81 230.939 222.332 251.230 1.00 0.00 C +ATOM 82 CA PRO A 82 234.407 223.152 252.579 1.00 0.00 C +ATOM 83 CA GLY A 83 237.180 224.057 250.128 1.00 0.00 C +ATOM 84 CA LEU A 84 237.082 222.252 246.774 1.00 0.00 C +ATOM 85 CA GLU A 85 235.666 222.445 243.242 1.00 0.00 C +ATOM 86 CA LEU A 86 236.098 225.896 241.686 1.00 0.00 C +ATOM 87 CA PRO A 87 236.168 228.939 239.395 1.00 0.00 C +TER 88 PRO A 87 +END diff --git a/Mammals/Q5JPA6/Q5JPA6.dcd b/Mammals/Q5JPA6/Q5JPA6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..767e96a7dbac55e658b64e4f17f8b236f7ee3f0e --- /dev/null +++ b/Mammals/Q5JPA6/Q5JPA6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ea2f17bd7932a630bdd9e60de1a6b115461ea955932558ec469d97af9326e470 +size 36840276 diff --git a/Mammals/Q5JPA6/top.pdb b/Mammals/Q5JPA6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1570b8da3ed4e379d80b3031026a66d615c351aa --- /dev/null +++ b/Mammals/Q5JPA6/top.pdb @@ -0,0 +1,202 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 267.699 242.860 314.837 1.00 0.00 C +ATOM 2 CA GLY A 2 269.198 246.151 313.638 1.00 0.00 C +ATOM 3 CA PHE A 3 266.955 247.513 310.877 1.00 0.00 C +ATOM 4 CA PRO A 4 267.571 251.027 309.538 1.00 0.00 C +ATOM 5 CA GLY A 5 268.756 252.092 306.077 1.00 0.00 C +ATOM 6 CA PRO A 6 269.890 255.707 306.478 1.00 0.00 C +ATOM 7 CA LYS A 7 268.612 258.189 303.885 1.00 0.00 C +ATOM 8 CA GLY A 8 268.933 260.116 300.614 1.00 0.00 C +ATOM 9 CA ALA A 9 271.870 262.449 299.943 1.00 0.00 C +ATOM 10 CA ASN A 10 274.413 260.872 297.585 1.00 0.00 C +ATOM 11 CA GLY A 11 276.948 260.315 294.796 1.00 0.00 C +ATOM 12 CA GLU A 12 276.394 261.635 291.265 1.00 0.00 C +ATOM 13 CA PRO A 13 273.502 263.387 289.510 1.00 0.00 C +ATOM 14 CA GLY A 14 272.829 263.429 285.760 1.00 0.00 C +ATOM 15 CA LYS A 15 273.679 261.317 282.706 1.00 0.00 C +ATOM 16 CA ALA A 16 272.324 261.690 279.165 1.00 0.00 C +ATOM 17 CA GLY A 17 269.900 263.860 277.182 1.00 0.00 C +ATOM 18 CA GLU A 18 269.005 267.534 276.720 1.00 0.00 C +ATOM 19 CA LYS A 19 270.513 269.010 273.547 1.00 0.00 C +ATOM 20 CA GLY A 20 273.445 271.432 273.784 1.00 0.00 C +ATOM 21 CA LEU A 21 276.492 269.462 272.622 1.00 0.00 C +ATOM 22 CA PRO A 22 278.585 268.852 269.498 1.00 0.00 C +ATOM 23 CA GLY A 23 277.395 265.622 267.865 1.00 0.00 C +ATOM 24 CA ALA A 24 274.741 263.456 269.532 1.00 0.00 C +ATOM 25 CA PRO A 25 272.684 260.942 267.541 1.00 0.00 C +ATOM 26 CA GLY A 26 269.299 262.436 266.632 1.00 0.00 C +ATOM 27 CA LEU A 27 265.895 261.930 268.267 1.00 0.00 C +ATOM 28 CA ARG A 28 263.812 264.723 269.808 1.00 0.00 C +ATOM 29 CA GLY A 29 260.654 266.204 271.341 1.00 0.00 C +ATOM 30 CA LEU A 30 257.687 267.050 269.105 1.00 0.00 C +ATOM 31 CA PRO A 31 254.292 266.154 267.627 1.00 0.00 C +ATOM 32 CA GLY A 32 254.252 264.411 264.240 1.00 0.00 C +ATOM 33 CA LYS A 33 257.327 262.283 263.509 1.00 0.00 C +ATOM 34 CA ASP A 34 259.518 259.217 262.950 1.00 0.00 C +ATOM 35 CA GLY A 35 260.300 257.733 259.529 1.00 0.00 C +ATOM 36 CA GLU A 36 257.736 255.249 258.201 1.00 0.00 C +ATOM 37 CA THR A 37 258.027 251.545 257.354 1.00 0.00 C +ATOM 38 CA GLY A 38 255.725 248.730 256.218 1.00 0.00 C +ATOM 39 CA ALA A 39 256.978 245.306 257.324 1.00 0.00 C +ATOM 40 CA ALA A 40 258.221 242.027 258.813 1.00 0.00 C +ATOM 41 CA GLY A 41 258.276 240.361 262.239 1.00 0.00 C +ATOM 42 CA PRO A 42 256.166 240.868 265.370 1.00 0.00 C +ATOM 43 CA PRO A 43 253.379 243.259 266.388 1.00 0.00 C +ATOM 44 CA GLY A 44 253.066 246.957 267.252 1.00 0.00 C +ATOM 45 CA PRO A 45 253.660 248.944 264.056 1.00 0.00 C +ATOM 46 CA ALA A 46 250.843 248.892 261.492 1.00 0.00 C +ATOM 47 CA GLY A 47 248.572 251.208 259.493 1.00 0.00 C +ATOM 48 CA PRO A 48 246.724 251.625 256.188 1.00 0.00 C +ATOM 49 CA ALA A 49 246.429 255.070 254.588 1.00 0.00 C +ATOM 50 CA GLY A 50 246.081 258.277 256.614 1.00 0.00 C +ATOM 51 CA GLU A 51 245.302 261.094 254.170 1.00 0.00 C +ATOM 52 CA ARG A 52 248.047 263.090 252.440 1.00 0.00 C +ATOM 53 CA GLY A 53 251.221 261.516 251.038 1.00 0.00 C +ATOM 54 CA GLU A 54 254.627 262.606 252.353 1.00 0.00 C +ATOM 55 CA GLN A 55 254.641 261.473 255.990 1.00 0.00 C +ATOM 56 CA GLY A 56 251.922 261.380 258.658 1.00 0.00 C +ATOM 57 CA ALA A 57 249.671 264.451 258.799 1.00 0.00 C +ATOM 58 CA PRO A 58 246.433 266.385 259.337 1.00 0.00 C +ATOM 59 CA GLY A 59 242.876 267.112 258.182 1.00 0.00 C +ATOM 60 CA PRO A 60 241.202 267.168 254.760 1.00 0.00 C +ATOM 61 CA SER A 61 240.203 265.658 251.408 1.00 0.00 C +ATOM 62 CA GLY A 62 243.078 265.914 248.921 1.00 0.00 C +ATOM 63 CA PHE A 63 244.216 269.550 248.967 1.00 0.00 C +ATOM 64 CA GLN A 64 242.475 271.217 246.017 1.00 0.00 C +ATOM 65 CA GLY A 65 242.501 271.926 242.274 1.00 0.00 C +ATOM 66 CA LEU A 66 240.502 269.787 239.835 1.00 0.00 C +ATOM 67 CA PRO A 67 242.857 269.248 236.889 1.00 0.00 C +ATOM 68 CA GLY A 68 246.053 268.200 235.100 1.00 0.00 C +ATOM 69 CA PRO A 69 249.204 267.707 237.183 1.00 0.00 C +ATOM 70 CA PRO A 70 249.436 265.634 240.372 1.00 0.00 C +ATOM 71 CA GLY A 71 249.875 266.411 244.076 1.00 0.00 C +ATOM 72 CA PRO A 72 251.988 268.925 246.008 1.00 0.00 C +ATOM 73 CA PRO A 73 254.091 268.232 249.108 1.00 0.00 C +ATOM 74 CA GLY A 74 257.193 269.942 250.511 1.00 0.00 C +ATOM 75 CA GLU A 75 260.547 268.903 249.031 1.00 0.00 C +ATOM 76 CA GLY A 76 263.303 268.878 246.400 1.00 0.00 C +ATOM 77 CA GLY A 77 264.616 267.351 243.166 1.00 0.00 C +ATOM 78 CA LYS A 78 265.365 263.725 242.270 1.00 0.00 C +ATOM 79 CA PRO A 79 265.180 260.134 243.530 1.00 0.00 C +ATOM 80 CA GLY A 80 267.822 257.971 241.839 1.00 0.00 C +ATOM 81 CA ASP A 81 270.867 255.692 242.058 1.00 0.00 C +ATOM 82 CA GLN A 82 272.573 252.339 241.456 1.00 0.00 C +ATOM 83 CA GLY A 83 272.901 250.819 237.978 1.00 0.00 C +ATOM 84 CA VAL A 84 269.483 249.307 237.234 1.00 0.00 C +ATOM 85 CA PRO A 85 266.053 248.316 238.563 1.00 0.00 C +ATOM 86 CA GLY A 86 265.779 245.923 241.515 1.00 0.00 C +ATOM 87 CA GLU A 87 265.743 246.632 245.258 1.00 0.00 C +ATOM 88 CA ALA A 88 267.141 247.888 248.573 1.00 0.00 C +ATOM 89 CA GLY A 89 266.073 245.617 251.439 1.00 0.00 C +ATOM 90 CA ALA A 90 265.990 242.748 253.945 1.00 0.00 C +ATOM 91 CA PRO A 91 269.547 242.154 255.174 1.00 0.00 C +ATOM 92 CA GLY A 92 272.140 244.915 254.769 1.00 0.00 C +ATOM 93 CA LEU A 93 275.310 246.766 253.749 1.00 0.00 C +ATOM 94 CA VAL A 94 278.150 244.635 252.366 1.00 0.00 C +ATOM 95 CA GLY A 95 281.805 245.684 252.122 1.00 0.00 C +ATOM 96 CA PRO A 96 283.667 244.488 249.021 1.00 0.00 C +ATOM 97 CA ARG A 97 284.118 244.253 245.245 1.00 0.00 C +ATOM 98 CA GLY A 98 282.456 241.899 242.753 1.00 0.00 C +ATOM 99 CA GLU A 99 279.464 241.259 240.482 1.00 0.00 C +ATOM 100 CA ARG A 100 276.178 240.970 242.389 1.00 0.00 C +ATOM 101 CA GLY A 101 275.176 240.735 246.057 1.00 0.00 C +ATOM 102 CA PHE A 102 275.289 238.333 249.012 1.00 0.00 C +ATOM 103 CA PRO A 103 276.017 234.651 249.668 1.00 0.00 C +ATOM 104 CA GLY A 104 274.746 231.551 247.855 1.00 0.00 C +ATOM 105 CA GLU A 105 274.457 231.252 244.067 1.00 0.00 C +ATOM 106 CA ARG A 106 275.065 232.923 240.698 1.00 0.00 C +ATOM 107 CA GLY A 107 272.371 235.268 239.371 1.00 0.00 C +ATOM 108 CA SER A 108 270.861 235.011 235.882 1.00 0.00 C +ATOM 109 CA PRO A 109 271.113 233.205 232.537 1.00 0.00 C +ATOM 110 CA GLY A 110 270.165 231.388 229.325 1.00 0.00 C +ATOM 111 CA ALA A 111 270.496 230.933 225.557 1.00 0.00 C +ATOM 112 CA GLN A 112 267.669 230.590 223.026 1.00 0.00 C +ATOM 113 CA GLY A 113 267.021 228.523 219.892 1.00 0.00 C +ATOM 114 CA LEU A 114 265.194 225.514 218.434 1.00 0.00 C +ATOM 115 CA GLN A 115 265.636 223.084 215.533 1.00 0.00 C +ATOM 116 CA GLY A 116 263.505 222.192 212.503 1.00 0.00 C +ATOM 117 CA PRO A 117 260.275 223.082 210.689 1.00 0.00 C +ATOM 118 CA ARG A 118 258.602 220.799 208.138 1.00 0.00 C +ATOM 119 CA GLY A 119 255.742 222.730 206.523 1.00 0.00 C +ATOM 120 CA LEU A 120 256.388 226.067 204.803 1.00 0.00 C +ATOM 121 CA PRO A 121 257.552 227.979 201.720 1.00 0.00 C +ATOM 122 CA GLY A 122 259.540 228.478 198.508 1.00 0.00 C +ATOM 123 CA THR A 123 261.869 225.518 197.940 1.00 0.00 C +ATOM 124 CA PRO A 124 262.657 222.937 200.630 1.00 0.00 C +ATOM 125 CA GLY A 125 263.669 219.812 198.699 1.00 0.00 C +ATOM 126 CA THR A 126 263.019 216.058 198.707 1.00 0.00 C +ATOM 127 CA ASP A 127 260.339 213.357 198.899 1.00 0.00 C +ATOM 128 CA GLY A 128 257.280 211.466 197.641 1.00 0.00 C +ATOM 129 CA PRO A 129 254.097 209.384 197.425 1.00 0.00 C +ATOM 130 CA LYS A 130 250.639 210.769 196.626 1.00 0.00 C +ATOM 131 CA GLY A 131 248.164 211.718 199.363 1.00 0.00 C +ATOM 132 CA ALA A 132 246.633 213.156 202.541 1.00 0.00 C +ATOM 133 CA SER A 133 244.837 216.475 203.067 1.00 0.00 C +ATOM 134 CA GLY A 134 246.568 219.819 203.649 1.00 0.00 C +ATOM 135 CA PRO A 135 245.105 222.102 200.973 1.00 0.00 C +ATOM 136 CA ALA A 136 243.590 225.389 202.167 1.00 0.00 C +ATOM 137 CA GLY A 137 239.903 224.819 202.935 1.00 0.00 C +ATOM 138 CA PRO A 138 236.812 226.854 202.029 1.00 0.00 C +ATOM 139 CA PRO A 139 233.742 228.089 203.917 1.00 0.00 C +ATOM 140 CA GLY A 140 232.779 230.883 206.322 1.00 0.00 C +ATOM 141 CA ALA A 141 230.021 231.288 208.919 1.00 0.00 C +ATOM 142 CA GLN A 142 228.611 230.715 212.412 1.00 0.00 C +ATOM 143 CA GLY A 143 228.193 229.484 215.993 1.00 0.00 C +ATOM 144 CA PRO A 144 231.282 230.145 218.123 1.00 0.00 C +ATOM 145 CA PRO A 145 233.112 231.516 221.171 1.00 0.00 C +ATOM 146 CA GLY A 146 233.974 232.907 224.612 1.00 0.00 C +ATOM 147 CA LEU A 147 231.655 231.176 227.089 1.00 0.00 C +ATOM 148 CA GLN A 148 231.300 230.642 230.845 1.00 0.00 C +ATOM 149 CA GLY A 149 232.024 228.019 233.511 1.00 0.00 C +ATOM 150 CA MET A 150 234.277 226.684 236.278 1.00 0.00 C +ATOM 151 CA PRO A 151 234.560 229.195 239.130 1.00 0.00 C +ATOM 152 CA GLY A 152 232.391 228.050 242.046 1.00 0.00 C +ATOM 153 CA GLU A 153 230.979 224.899 243.657 1.00 0.00 C +ATOM 154 CA ARG A 154 227.506 223.995 244.934 1.00 0.00 C +ATOM 155 CA GLY A 155 226.389 226.519 247.560 1.00 0.00 C +ATOM 156 CA ALA A 156 225.261 230.003 246.509 1.00 0.00 C +ATOM 157 CA ALA A 157 222.587 230.438 243.830 1.00 0.00 C +ATOM 158 CA GLY A 158 219.337 232.200 244.752 1.00 0.00 C +ATOM 159 CA ILE A 159 217.909 233.888 247.855 1.00 0.00 C +ATOM 160 CA ALA A 160 219.004 231.977 250.964 1.00 0.00 C +ATOM 161 CA GLY A 161 216.595 231.421 253.863 1.00 0.00 C +ATOM 162 CA PRO A 162 213.875 230.068 256.162 1.00 0.00 C +ATOM 163 CA LYS A 163 212.827 229.546 259.788 1.00 0.00 C +ATOM 164 CA GLY A 164 213.276 232.889 261.561 1.00 0.00 C +ATOM 165 CA ASP A 165 214.692 235.213 264.227 1.00 0.00 C +ATOM 166 CA ARG A 166 218.172 234.458 265.583 1.00 0.00 C +ATOM 167 CA GLY A 167 221.649 235.578 264.502 1.00 0.00 C +ATOM 168 CA ASP A 168 222.174 237.988 261.599 1.00 0.00 C +ATOM 169 CA VAL A 169 222.903 240.531 258.857 1.00 0.00 C +ATOM 170 CA GLY A 170 220.025 242.972 258.333 1.00 0.00 C +ATOM 171 CA GLU A 171 220.070 245.519 261.166 1.00 0.00 C +ATOM 172 CA LYS A 172 217.116 247.884 260.725 1.00 0.00 C +ATOM 173 CA GLY A 173 215.396 250.288 258.322 1.00 0.00 C +ATOM 174 CA PRO A 174 216.857 253.512 256.910 1.00 0.00 C +ATOM 175 CA GLU A 175 218.010 256.053 254.316 1.00 0.00 C +ATOM 176 CA GLY A 176 216.081 259.246 255.090 1.00 0.00 C +ATOM 177 CA ALA A 177 214.850 262.077 257.322 1.00 0.00 C +ATOM 178 CA PRO A 178 217.267 264.487 259.015 1.00 0.00 C +ATOM 179 CA GLY A 179 220.185 266.437 260.498 1.00 0.00 C +ATOM 180 CA LYS A 180 221.024 269.056 257.861 1.00 0.00 C +ATOM 181 CA ASP A 181 223.734 271.600 258.693 1.00 0.00 C +ATOM 182 CA GLY A 182 224.498 275.333 258.754 1.00 0.00 C +ATOM 183 CA GLY A 183 224.894 278.783 260.320 1.00 0.00 C +ATOM 184 CA ARG A 184 226.758 282.050 260.928 1.00 0.00 C +ATOM 185 CA VAL A 185 227.397 283.096 264.535 1.00 0.00 C +ATOM 186 CA SER A 186 230.021 285.820 264.993 1.00 0.00 C +ATOM 187 CA GLU A 187 231.192 288.077 267.831 1.00 0.00 C +ATOM 188 CA CYS A 188 230.076 289.607 271.137 1.00 0.00 C +ATOM 189 CA GLY A 189 227.614 291.223 273.554 1.00 0.00 C +ATOM 190 CA LEU A 190 225.662 289.778 276.490 1.00 0.00 C +ATOM 191 CA LEU A 191 224.871 291.440 279.825 1.00 0.00 C +ATOM 192 CA ASP A 192 224.681 295.184 280.506 1.00 0.00 C +ATOM 193 CA CYS A 193 222.257 296.473 277.865 1.00 0.00 C +ATOM 194 CA TRP A 194 218.755 297.144 279.210 1.00 0.00 C +ATOM 195 CA ALA A 195 215.326 298.797 279.075 1.00 0.00 C +ATOM 196 CA LEU A 196 211.950 297.851 280.567 1.00 0.00 C +ATOM 197 CA GLY A 197 208.159 297.878 280.187 1.00 0.00 C +ATOM 198 CA SER A 198 207.022 294.744 282.031 1.00 0.00 C +TER 199 SER A 198 +END diff --git a/Mammals/Q5JUL1/Q5JUL1.dcd b/Mammals/Q5JUL1/Q5JUL1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..333fb6641a54bd9253150d64a5d21b64d1834a23 --- /dev/null +++ b/Mammals/Q5JUL1/Q5JUL1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cf7c28eaaccd7ff69ca7330a33e0d96ea1cbaf0ec57b6841cf0056751bf112d2 +size 11960276 diff --git a/Mammals/Q5JUL1/top.pdb b/Mammals/Q5JUL1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..108869a87e9f7828a511eebf817a9eb0d7fe7d45 --- /dev/null +++ b/Mammals/Q5JUL1/top.pdb @@ -0,0 +1,97 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 233.781 277.127 263.473 1.00 0.00 C +ATOM 2 CA SER A 2 236.229 277.500 266.368 1.00 0.00 C +ATOM 3 CA GLU A 3 235.777 280.748 268.308 1.00 0.00 C +ATOM 4 CA HIS A 4 232.260 281.898 267.401 1.00 0.00 C +ATOM 5 CA VAL A 5 228.554 282.769 267.544 1.00 0.00 C +ATOM 6 CA THR A 6 226.882 280.896 264.677 1.00 0.00 C +ATOM 7 CA ARG A 7 227.338 278.031 262.207 1.00 0.00 C +ATOM 8 CA SER A 8 227.887 275.170 259.752 1.00 0.00 C +ATOM 9 CA GLN A 9 227.299 272.845 256.791 1.00 0.00 C +ATOM 10 CA SER A 10 229.138 270.781 254.170 1.00 0.00 C +ATOM 11 CA SER A 11 231.789 268.458 252.722 1.00 0.00 C +ATOM 12 CA GLU A 12 234.707 268.481 255.171 1.00 0.00 C +ATOM 13 CA ARG A 13 235.568 270.066 258.527 1.00 0.00 C +ATOM 14 CA GLY A 14 237.515 271.462 261.490 1.00 0.00 C +ATOM 15 CA ASN A 15 241.114 272.183 262.511 1.00 0.00 C +ATOM 16 CA ASP A 16 241.674 273.654 265.981 1.00 0.00 C +ATOM 17 CA GLN A 17 242.146 275.384 269.342 1.00 0.00 C +ATOM 18 CA GLU A 18 242.094 273.090 272.383 1.00 0.00 C +ATOM 19 CA SER A 19 243.262 270.458 274.879 1.00 0.00 C +ATOM 20 CA SER A 20 246.219 268.152 274.208 1.00 0.00 C +ATOM 21 CA GLN A 21 245.277 264.961 272.352 1.00 0.00 C +ATOM 22 CA PRO A 22 247.325 262.973 269.828 1.00 0.00 C +ATOM 23 CA VAL A 23 246.700 259.935 267.614 1.00 0.00 C +ATOM 24 CA GLY A 24 249.228 257.100 267.317 1.00 0.00 C +ATOM 25 CA PRO A 25 251.962 255.138 269.104 1.00 0.00 C +ATOM 26 CA VAL A 26 253.673 252.902 266.538 1.00 0.00 C +ATOM 27 CA ILE A 27 256.150 250.122 265.729 1.00 0.00 C +ATOM 28 CA VAL A 28 259.040 248.539 263.816 1.00 0.00 C +ATOM 29 CA GLN A 29 258.269 244.978 262.703 1.00 0.00 C +ATOM 30 CA GLN A 30 254.664 243.746 262.687 1.00 0.00 C +ATOM 31 CA PRO A 31 250.948 243.927 261.866 1.00 0.00 C +ATOM 32 CA THR A 32 248.396 241.215 262.671 1.00 0.00 C +ATOM 33 CA GLU A 33 248.982 238.193 264.916 1.00 0.00 C +ATOM 34 CA GLU A 34 246.860 235.590 266.717 1.00 0.00 C +ATOM 35 CA LYS A 35 243.637 234.647 264.917 1.00 0.00 C +ATOM 36 CA ARG A 36 244.310 235.110 261.196 1.00 0.00 C +ATOM 37 CA GLN A 37 244.737 234.346 257.488 1.00 0.00 C +ATOM 38 CA GLU A 38 246.986 232.635 254.932 1.00 0.00 C +ATOM 39 CA GLU A 39 247.404 230.106 252.113 1.00 0.00 C +ATOM 40 CA GLU A 40 251.142 229.583 251.596 1.00 0.00 C +ATOM 41 CA PRO A 41 254.790 229.915 252.643 1.00 0.00 C +ATOM 42 CA PRO A 42 258.134 228.850 251.161 1.00 0.00 C +ATOM 43 CA THR A 43 260.745 227.891 248.557 1.00 0.00 C +ATOM 44 CA ASP A 44 264.347 229.032 248.068 1.00 0.00 C +ATOM 45 CA ASN A 45 267.356 227.364 246.433 1.00 0.00 C +ATOM 46 CA GLN A 46 268.850 224.654 248.656 1.00 0.00 C +ATOM 47 CA GLY A 47 270.522 224.439 252.072 1.00 0.00 C +ATOM 48 CA THR A 48 268.101 224.578 255.010 1.00 0.00 C +ATOM 49 CA ASP A 49 266.390 223.571 258.263 1.00 0.00 C +ATOM 50 CA VAL A 50 266.851 224.876 261.812 1.00 0.00 C +ATOM 51 CA GLU A 51 266.005 228.582 262.079 1.00 0.00 C +ATOM 52 CA ALA A 52 266.772 231.156 259.377 1.00 0.00 C +ATOM 53 CA PHE A 53 269.272 231.834 256.584 1.00 0.00 C +ATOM 54 CA GLN A 54 268.253 233.669 253.404 1.00 0.00 C +ATOM 55 CA GLN A 55 268.989 237.097 251.913 1.00 0.00 C +ATOM 56 CA GLU A 56 266.936 237.713 248.763 1.00 0.00 C +ATOM 57 CA LEU A 57 266.798 237.879 244.959 1.00 0.00 C +ATOM 58 CA ALA A 58 266.475 234.731 242.836 1.00 0.00 C +ATOM 59 CA LEU A 59 267.680 233.784 239.348 1.00 0.00 C +ATOM 60 CA LEU A 60 267.590 236.880 237.130 1.00 0.00 C +ATOM 61 CA LYS A 61 266.483 240.466 236.472 1.00 0.00 C +ATOM 62 CA ILE A 62 262.785 241.349 236.228 1.00 0.00 C +ATOM 63 CA GLU A 63 261.239 244.703 235.290 1.00 0.00 C +ATOM 64 CA ASP A 64 262.639 247.663 233.343 1.00 0.00 C +ATOM 65 CA ALA A 65 263.727 250.361 235.803 1.00 0.00 C +ATOM 66 CA PRO A 66 266.352 249.997 238.541 1.00 0.00 C +ATOM 67 CA GLY A 67 268.736 250.812 241.399 1.00 0.00 C +ATOM 68 CA ASP A 68 268.691 247.884 243.836 1.00 0.00 C +ATOM 69 CA GLY A 69 265.291 247.778 245.552 1.00 0.00 C +ATOM 70 CA PRO A 70 262.261 249.865 244.563 1.00 0.00 C +ATOM 71 CA ASP A 71 260.363 253.165 244.410 1.00 0.00 C +ATOM 72 CA VAL A 72 256.811 253.784 243.176 1.00 0.00 C +ATOM 73 CA ARG A 73 253.480 255.127 244.448 1.00 0.00 C +ATOM 74 CA GLU A 74 251.449 253.889 247.424 1.00 0.00 C +ATOM 75 CA GLY A 75 247.721 254.170 246.691 1.00 0.00 C +ATOM 76 CA THR A 76 244.236 252.945 247.624 1.00 0.00 C +ATOM 77 CA LEU A 77 241.374 251.174 245.839 1.00 0.00 C +ATOM 78 CA PRO A 78 240.328 250.307 242.279 1.00 0.00 C +ATOM 79 CA THR A 79 239.800 248.772 238.832 1.00 0.00 C +ATOM 80 CA PHE A 80 241.607 250.677 236.071 1.00 0.00 C +ATOM 81 CA ASP A 81 242.017 251.387 232.351 1.00 0.00 C +ATOM 82 CA PRO A 82 245.119 253.528 231.793 1.00 0.00 C +ATOM 83 CA THR A 83 245.703 255.885 228.857 1.00 0.00 C +ATOM 84 CA LYS A 84 242.722 256.034 226.488 1.00 0.00 C +ATOM 85 CA VAL A 85 239.975 254.541 224.311 1.00 0.00 C +ATOM 86 CA LEU A 86 237.725 254.556 221.237 1.00 0.00 C +ATOM 87 CA GLU A 87 234.899 252.051 220.728 1.00 0.00 C +ATOM 88 CA ALA A 88 233.195 252.669 217.377 1.00 0.00 C +ATOM 89 CA GLY A 89 234.233 250.034 214.827 1.00 0.00 C +ATOM 90 CA GLU A 90 236.913 247.449 214.018 1.00 0.00 C +ATOM 91 CA GLY A 91 237.546 243.960 212.626 1.00 0.00 C +ATOM 92 CA GLN A 92 238.437 243.906 208.922 1.00 0.00 C +ATOM 93 CA LEU A 93 238.364 245.715 205.569 1.00 0.00 C +TER 94 LEU A 93 +END diff --git a/Mammals/Q5JVU1/Q5JVU1.dcd b/Mammals/Q5JVU1/Q5JVU1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..96495963b2d70964b588af91bc8d06e1662704f5 --- /dev/null +++ b/Mammals/Q5JVU1/Q5JVU1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:170e4477e3bef7e347c0d9ff850fb7732749c785391f0c2be4e7e194bed0344a +size 5120276 diff --git a/Mammals/Q5JVU1/top.pdb b/Mammals/Q5JVU1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1639d4f882e354f099fbac371658304e34abd50f --- /dev/null +++ b/Mammals/Q5JVU1/top.pdb @@ -0,0 +1,40 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLY A 1 244.606 280.634 245.791 1.00 0.00 C +ATOM 2 CA PRO A 2 247.787 278.877 246.934 1.00 0.00 C +ATOM 3 CA PRO A 3 251.232 277.258 246.754 1.00 0.00 C +ATOM 4 CA GLY A 4 253.030 275.580 249.664 1.00 0.00 C +ATOM 5 CA ILE A 5 256.814 275.452 249.240 1.00 0.00 C +ATOM 6 CA GLN A 6 258.192 272.261 250.799 1.00 0.00 C +ATOM 7 CA GLY A 7 257.399 268.933 252.476 1.00 0.00 C +ATOM 8 CA ILE A 8 254.669 266.353 253.115 1.00 0.00 C +ATOM 9 CA HIS A 9 252.477 264.531 255.643 1.00 0.00 C +ATOM 10 CA GLN A 10 251.901 260.976 254.401 1.00 0.00 C +ATOM 11 CA THR A 11 253.509 257.856 255.885 1.00 0.00 C +ATOM 12 CA LEU A 12 254.014 254.233 256.949 1.00 0.00 C +ATOM 13 CA GLY A 13 252.774 250.666 256.445 1.00 0.00 C +ATOM 14 CA GLY A 14 250.272 248.185 257.896 1.00 0.00 C +ATOM 15 CA TYR A 15 247.113 247.916 260.008 1.00 0.00 C +ATOM 16 CA TYR A 16 245.911 246.338 263.261 1.00 0.00 C +ATOM 17 CA ASN A 17 242.408 245.049 262.499 1.00 0.00 C +ATOM 18 CA LYS A 18 238.871 245.646 261.215 1.00 0.00 C +ATOM 19 CA ASP A 19 237.227 242.298 260.436 1.00 0.00 C +ATOM 20 CA ASN A 20 239.636 239.445 261.191 1.00 0.00 C +ATOM 21 CA LYS A 21 242.872 239.423 259.180 1.00 0.00 C +ATOM 22 CA GLY A 22 244.448 235.980 258.761 1.00 0.00 C +ATOM 23 CA ASN A 23 244.250 233.712 255.706 1.00 0.00 C +ATOM 24 CA ASP A 24 247.246 234.229 253.411 1.00 0.00 C +ATOM 25 CA GLU A 25 248.584 234.710 249.876 1.00 0.00 C +ATOM 26 CA HIS A 26 247.069 232.238 247.404 1.00 0.00 C +ATOM 27 CA GLU A 27 245.652 231.621 243.922 1.00 0.00 C +ATOM 28 CA ALA A 28 245.317 235.000 242.193 1.00 0.00 C +ATOM 29 CA GLY A 29 245.388 235.077 238.385 1.00 0.00 C +ATOM 30 CA GLY A 30 248.810 235.984 236.976 1.00 0.00 C +ATOM 31 CA LEU A 31 251.500 237.486 234.735 1.00 0.00 C +ATOM 32 CA LYS A 32 254.940 238.441 236.067 1.00 0.00 C +ATOM 33 CA GLY A 33 258.459 239.886 235.858 1.00 0.00 C +ATOM 34 CA ASP A 34 259.498 243.548 235.692 1.00 0.00 C +ATOM 35 CA LYS A 35 262.819 245.294 235.029 1.00 0.00 C +ATOM 36 CA VAL A 36 263.306 248.885 236.203 1.00 0.00 C +TER 37 VAL A 36 +END diff --git a/Mammals/Q5JX02/Q5JX02.dcd b/Mammals/Q5JX02/Q5JX02.dcd new file mode 100644 index 0000000000000000000000000000000000000000..5749b2a111a40a8bfa3af1f72e30135a37bccab0 --- /dev/null +++ b/Mammals/Q5JX02/Q5JX02.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b09506ce560fb96f7619b2a749f4574ace1027ef6c9fc753bf5e9518dfa7421b +size 6200276 diff --git a/Mammals/Q5JX02/top.pdb b/Mammals/Q5JX02/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..6c7c70227eda676269d2293c37871869a159496b --- /dev/null +++ b/Mammals/Q5JX02/top.pdb @@ -0,0 +1,49 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 257.883 249.285 257.965 1.00 0.00 C +ATOM 2 CA SER A 2 255.492 246.352 257.520 1.00 0.00 C +ATOM 3 CA PRO A 3 253.244 246.510 260.592 1.00 0.00 C +ATOM 4 CA GLN A 4 250.741 249.378 260.758 1.00 0.00 C +ATOM 5 CA LYS A 5 251.349 252.421 262.968 1.00 0.00 C +ATOM 6 CA ARG A 6 251.912 253.352 266.620 1.00 0.00 C +ATOM 7 CA VAL A 7 253.916 256.498 267.394 1.00 0.00 C +ATOM 8 CA LYS A 8 255.564 259.929 267.214 1.00 0.00 C +ATOM 9 CA ASN A 9 254.470 262.710 269.577 1.00 0.00 C +ATOM 10 CA VAL A 10 252.740 260.992 272.505 1.00 0.00 C +ATOM 11 CA GLN A 11 253.122 261.086 276.294 1.00 0.00 C +ATOM 12 CA ALA A 12 252.621 257.502 277.487 1.00 0.00 C +ATOM 13 CA GLN A 13 250.479 254.352 277.502 1.00 0.00 C +ATOM 14 CA ASN A 14 251.621 252.204 274.571 1.00 0.00 C +ATOM 15 CA ARG A 15 249.021 251.696 271.833 1.00 0.00 C +ATOM 16 CA THR A 16 246.024 251.480 269.490 1.00 0.00 C +ATOM 17 CA SER A 17 242.489 250.405 268.559 1.00 0.00 C +ATOM 18 CA GLN A 18 240.963 248.321 265.758 1.00 0.00 C +ATOM 19 CA GLY A 19 238.926 249.439 262.739 1.00 0.00 C +ATOM 20 CA SER A 20 239.500 253.190 262.392 1.00 0.00 C +ATOM 21 CA SER A 21 241.282 255.958 260.474 1.00 0.00 C +ATOM 22 CA SER A 22 243.811 256.426 257.663 1.00 0.00 C +ATOM 23 CA PHE A 23 246.102 256.268 254.623 1.00 0.00 C +ATOM 24 CA GLN A 24 245.998 255.498 250.893 1.00 0.00 C +ATOM 25 CA THR A 25 246.396 251.744 250.375 1.00 0.00 C +ATOM 26 CA THR A 26 243.659 250.519 248.024 1.00 0.00 C +ATOM 27 CA LEU A 27 241.850 252.087 245.060 1.00 0.00 C +ATOM 28 CA SER A 28 242.296 250.421 241.663 1.00 0.00 C +ATOM 29 CA ALA A 29 241.120 250.554 238.041 1.00 0.00 C +ATOM 30 CA TRP A 30 240.780 249.965 234.292 1.00 0.00 C +ATOM 31 CA LYS A 31 240.645 249.983 230.485 1.00 0.00 C +ATOM 32 CA VAL A 32 243.012 250.373 227.525 1.00 0.00 C +ATOM 33 CA LYS A 33 244.277 246.930 226.494 1.00 0.00 C +ATOM 34 CA GLN A 34 248.018 246.708 225.805 1.00 0.00 C +ATOM 35 CA ASP A 35 248.767 243.383 224.102 1.00 0.00 C +ATOM 36 CA PRO A 36 250.989 240.460 225.120 1.00 0.00 C +ATOM 37 CA SER A 37 254.672 239.648 224.579 1.00 0.00 C +ATOM 38 CA ASN A 38 257.684 237.316 224.543 1.00 0.00 C +ATOM 39 CA SER A 39 261.087 236.424 226.005 1.00 0.00 C +ATOM 40 CA LYS A 40 263.988 236.497 228.474 1.00 0.00 C +ATOM 41 CA ASN A 41 263.071 239.257 230.935 1.00 0.00 C +ATOM 42 CA ILE A 42 260.339 241.653 232.082 1.00 0.00 C +ATOM 43 CA SER A 43 260.132 245.455 232.226 1.00 0.00 C +ATOM 44 CA LYS A 44 257.891 248.158 230.747 1.00 0.00 C +ATOM 45 CA HIS A 45 260.055 251.211 230.033 1.00 0.00 C +TER 46 HIS A 45 +END diff --git a/Mammals/Q5JXC6/Q5JXC6.dcd b/Mammals/Q5JXC6/Q5JXC6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f9f4e74eaf7384b127b4e5faac9d91ed2536c4f8 --- /dev/null +++ b/Mammals/Q5JXC6/Q5JXC6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dd18f150045bc33d9764a46310259f09fcd6536bbe04a23a2daa8326dd9078c8 +size 7040276 diff --git a/Mammals/Q5JXC6/top.pdb b/Mammals/Q5JXC6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8e8762673873d3fe9fad4a25860e2c5f72b00bcd --- /dev/null +++ b/Mammals/Q5JXC6/top.pdb @@ -0,0 +1,56 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 271.004 256.396 287.685 1.00 0.00 C +ATOM 2 CA SER A 2 269.177 255.734 290.962 1.00 0.00 C +ATOM 3 CA ALA A 3 266.516 258.216 292.092 1.00 0.00 C +ATOM 4 CA THR A 4 262.897 257.784 290.982 1.00 0.00 C +ATOM 5 CA SER A 5 259.996 258.434 288.599 1.00 0.00 C +ATOM 6 CA VAL A 6 258.512 255.878 286.195 1.00 0.00 C +ATOM 7 CA ASP A 7 255.153 256.477 284.501 1.00 0.00 C +ATOM 8 CA THR A 8 253.305 258.886 282.199 1.00 0.00 C +ATOM 9 CA GLN A 9 254.207 260.475 278.856 1.00 0.00 C +ATOM 10 CA ARG A 10 252.313 259.960 275.591 1.00 0.00 C +ATOM 11 CA THR A 11 251.307 258.565 272.191 1.00 0.00 C +ATOM 12 CA LYS A 12 251.882 258.808 268.432 1.00 0.00 C +ATOM 13 CA GLY A 13 252.045 261.755 266.024 1.00 0.00 C +ATOM 14 CA GLN A 14 250.974 263.972 263.116 1.00 0.00 C +ATOM 15 CA ASP A 15 248.679 267.014 263.136 1.00 0.00 C +ATOM 16 CA ASN A 16 247.710 267.975 259.579 1.00 0.00 C +ATOM 17 CA LYS A 17 247.269 267.006 255.920 1.00 0.00 C +ATOM 18 CA VAL A 18 245.428 266.627 252.606 1.00 0.00 C +ATOM 19 CA GLN A 19 247.277 264.055 250.490 1.00 0.00 C +ATOM 20 CA ASN A 20 248.889 265.474 247.343 1.00 0.00 C +ATOM 21 CA GLY A 21 246.952 266.543 244.241 1.00 0.00 C +ATOM 22 CA SER A 22 244.481 263.743 243.487 1.00 0.00 C +ATOM 23 CA LEU A 23 242.907 260.356 242.732 1.00 0.00 C +ATOM 24 CA HIS A 24 242.138 257.290 244.860 1.00 0.00 C +ATOM 25 CA GLN A 25 244.620 254.475 244.201 1.00 0.00 C +ATOM 26 CA LYS A 26 245.874 252.319 241.321 1.00 0.00 C +ATOM 27 CA ASP A 27 248.745 251.036 239.170 1.00 0.00 C +ATOM 28 CA THR A 28 248.762 247.269 239.740 1.00 0.00 C +ATOM 29 CA VAL A 29 250.430 244.058 238.547 1.00 0.00 C +ATOM 30 CA HIS A 30 253.990 244.924 237.502 1.00 0.00 C +ATOM 31 CA ASP A 31 255.615 246.808 240.387 1.00 0.00 C +ATOM 32 CA ASN A 32 257.393 244.391 242.735 1.00 0.00 C +ATOM 33 CA ASP A 33 255.693 241.018 242.235 1.00 0.00 C +ATOM 34 CA PHE A 34 256.415 238.460 244.965 1.00 0.00 C +ATOM 35 CA GLU A 35 253.273 236.685 246.189 1.00 0.00 C +ATOM 36 CA PRO A 36 250.222 238.571 244.904 1.00 0.00 C +ATOM 37 CA TYR A 37 249.002 236.509 241.941 1.00 0.00 C +ATOM 38 CA LEU A 38 249.658 234.616 238.700 1.00 0.00 C +ATOM 39 CA THR A 39 252.706 233.109 236.980 1.00 0.00 C +ATOM 40 CA GLY A 40 255.588 234.061 234.677 1.00 0.00 C +ATOM 41 CA GLN A 41 256.137 237.775 235.321 1.00 0.00 C +ATOM 42 CA SER A 42 254.678 239.965 232.566 1.00 0.00 C +ATOM 43 CA ASN A 43 251.502 240.819 230.642 1.00 0.00 C +ATOM 44 CA GLN A 44 247.860 239.761 231.005 1.00 0.00 C +ATOM 45 CA GLU A 45 244.804 239.226 228.793 1.00 0.00 C +ATOM 46 CA ARG A 46 241.544 239.619 226.861 1.00 0.00 C +ATOM 47 CA GLN A 47 239.052 238.741 224.117 1.00 0.00 C +ATOM 48 CA SER A 48 237.978 237.118 220.841 1.00 0.00 C +ATOM 49 CA ARG A 49 234.595 238.441 219.691 1.00 0.00 C +ATOM 50 CA ASN A 50 231.477 236.469 218.742 1.00 0.00 C +ATOM 51 CA LYS A 51 230.196 234.845 221.941 1.00 0.00 C +ATOM 52 CA GLN A 52 231.175 231.493 223.466 1.00 0.00 C +TER 53 GLN A 52 +END diff --git a/Mammals/Q5JXX6/Q5JXX6.dcd b/Mammals/Q5JXX6/Q5JXX6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..9df43c00d31b5658102c2fc6b96f62f84cfd4627 --- /dev/null +++ b/Mammals/Q5JXX6/Q5JXX6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4cfb9d18838d3a6668d15ebb308d1a363648494255fafa89bc3a2ba89022c54a +size 8840276 diff --git a/Mammals/Q5JXX6/top.pdb b/Mammals/Q5JXX6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..bc6cc191e81f2ea1075532e126ede3588ea3b5b0 --- /dev/null +++ b/Mammals/Q5JXX6/top.pdb @@ -0,0 +1,71 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 244.188 264.933 279.360 1.00 0.00 C +ATOM 2 CA SER A 2 243.264 266.803 276.172 1.00 0.00 C +ATOM 3 CA SER A 3 240.271 267.118 273.835 1.00 0.00 C +ATOM 4 CA ARG A 4 239.992 270.308 271.769 1.00 0.00 C +ATOM 5 CA LYS A 5 236.314 271.206 271.345 1.00 0.00 C +ATOM 6 CA GLN A 6 235.620 274.569 269.694 1.00 0.00 C +ATOM 7 CA GLY A 7 234.864 275.538 266.088 1.00 0.00 C +ATOM 8 CA SER A 8 237.323 274.543 263.353 1.00 0.00 C +ATOM 9 CA GLN A 9 240.381 275.386 261.243 1.00 0.00 C +ATOM 10 CA PRO A 10 243.705 276.774 260.000 1.00 0.00 C +ATOM 11 CA ARG A 11 246.916 277.075 257.971 1.00 0.00 C +ATOM 12 CA GLY A 12 250.456 275.903 257.191 1.00 0.00 C +ATOM 13 CA GLN A 13 251.924 275.040 260.600 1.00 0.00 C +ATOM 14 CA GLN A 14 253.975 276.648 263.379 1.00 0.00 C +ATOM 15 CA SER A 15 253.568 277.257 267.118 1.00 0.00 C +ATOM 16 CA ALA A 16 250.873 278.675 269.407 1.00 0.00 C +ATOM 17 CA GLU A 17 247.713 276.594 268.959 1.00 0.00 C +ATOM 18 CA GLU A 18 246.705 272.943 268.551 1.00 0.00 C +ATOM 19 CA GLU A 19 244.466 271.116 266.068 1.00 0.00 C +ATOM 20 CA ASN A 20 242.870 268.377 263.953 1.00 0.00 C +ATOM 21 CA PHE A 21 241.232 265.380 262.266 1.00 0.00 C +ATOM 22 CA LYS A 22 238.162 263.459 261.083 1.00 0.00 C +ATOM 23 CA LYS A 23 235.496 265.983 260.061 1.00 0.00 C +ATOM 24 CA PRO A 24 236.423 269.335 258.504 1.00 0.00 C +ATOM 25 CA THR A 25 233.208 270.863 257.146 1.00 0.00 C +ATOM 26 CA ARG A 26 232.558 270.560 253.404 1.00 0.00 C +ATOM 27 CA SER A 27 233.400 270.836 249.698 1.00 0.00 C +ATOM 28 CA ASN A 28 237.093 270.807 248.762 1.00 0.00 C +ATOM 29 CA MET A 29 238.704 267.413 249.399 1.00 0.00 C +ATOM 30 CA GLN A 30 242.502 267.638 249.602 1.00 0.00 C +ATOM 31 CA ARG A 31 244.604 264.965 251.319 1.00 0.00 C +ATOM 32 CA SER A 32 244.903 262.260 253.986 1.00 0.00 C +ATOM 33 CA LYS A 33 247.654 259.808 254.953 1.00 0.00 C +ATOM 34 CA MET A 34 251.065 258.354 255.825 1.00 0.00 C +ATOM 35 CA ARG A 35 254.467 256.656 255.574 1.00 0.00 C +ATOM 36 CA GLY A 36 254.041 252.958 254.760 1.00 0.00 C +ATOM 37 CA ALA A 37 253.828 250.433 251.915 1.00 0.00 C +ATOM 38 CA SER A 38 255.716 250.613 248.611 1.00 0.00 C +ATOM 39 CA SER A 39 253.235 250.515 245.721 1.00 0.00 C +ATOM 40 CA GLY A 40 252.732 252.183 242.333 1.00 0.00 C +ATOM 41 CA LYS A 41 252.819 252.433 238.532 1.00 0.00 C +ATOM 42 CA LYS A 42 253.481 249.633 236.034 1.00 0.00 C +ATOM 43 CA THR A 43 253.093 248.248 232.506 1.00 0.00 C +ATOM 44 CA ALA A 44 256.439 248.177 230.684 1.00 0.00 C +ATOM 45 CA GLY A 45 257.165 245.149 228.490 1.00 0.00 C +ATOM 46 CA PRO A 46 260.647 243.718 229.075 1.00 0.00 C +ATOM 47 CA GLN A 47 260.502 239.945 229.585 1.00 0.00 C +ATOM 48 CA GLN A 48 260.753 238.857 233.228 1.00 0.00 C +ATOM 49 CA LYS A 49 262.625 235.787 234.487 1.00 0.00 C +ATOM 50 CA ASN A 50 261.821 233.263 237.225 1.00 0.00 C +ATOM 51 CA LEU A 51 260.793 229.771 238.351 1.00 0.00 C +ATOM 52 CA GLU A 52 262.163 226.219 238.504 1.00 0.00 C +ATOM 53 CA PRO A 53 261.518 224.765 241.967 1.00 0.00 C +ATOM 54 CA ALA A 54 259.223 221.794 242.613 1.00 0.00 C +ATOM 55 CA LEU A 55 258.237 218.426 244.096 1.00 0.00 C +ATOM 56 CA PRO A 56 256.569 215.003 243.965 1.00 0.00 C +ATOM 57 CA GLY A 57 256.934 213.637 240.427 1.00 0.00 C +ATOM 58 CA ARG A 58 256.099 211.177 237.640 1.00 0.00 C +ATOM 59 CA TRP A 59 254.133 211.361 234.381 1.00 0.00 C +ATOM 60 CA GLY A 60 253.231 208.022 232.785 1.00 0.00 C +ATOM 61 CA GLY A 61 255.918 205.444 233.590 1.00 0.00 C +ATOM 62 CA ARG A 62 258.541 205.416 236.353 1.00 0.00 C +ATOM 63 CA SER A 63 261.906 206.205 234.748 1.00 0.00 C +ATOM 64 CA ALA A 64 264.924 205.053 232.728 1.00 0.00 C +ATOM 65 CA GLU A 65 264.405 203.345 229.363 1.00 0.00 C +ATOM 66 CA ASN A 66 261.379 201.082 229.855 1.00 0.00 C +ATOM 67 CA PRO A 67 258.273 200.248 227.812 1.00 0.00 C +TER 68 PRO A 67 +END diff --git a/Mammals/Q5K620/Q5K620.dcd b/Mammals/Q5K620/Q5K620.dcd new file mode 100644 index 0000000000000000000000000000000000000000..cff06de565c0bdc72948d8f8a24a3f17707ece33 --- /dev/null +++ b/Mammals/Q5K620/Q5K620.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:23765a2e109980669eabe561c27ce35be19a92d317eb8f565e433907275b67d4 +size 5240276 diff --git a/Mammals/Q5K620/top.pdb b/Mammals/Q5K620/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..36c8a06b5c6aa9c1a0622ec766a21df6bdb73736 --- /dev/null +++ b/Mammals/Q5K620/top.pdb @@ -0,0 +1,41 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA PRO A 1 249.331 227.535 259.434 1.00 0.00 C +ATOM 2 CA ARG A 2 250.458 231.164 259.158 1.00 0.00 C +ATOM 3 CA ALA A 3 250.731 234.772 260.351 1.00 0.00 C +ATOM 4 CA SER A 4 250.830 237.406 257.600 1.00 0.00 C +ATOM 5 CA SER A 5 253.458 240.133 257.183 1.00 0.00 C +ATOM 6 CA GLU A 6 255.761 239.465 254.222 1.00 0.00 C +ATOM 7 CA SER A 7 255.340 236.816 251.516 1.00 0.00 C +ATOM 8 CA PRO A 8 253.433 234.889 248.840 1.00 0.00 C +ATOM 9 CA ALA A 9 253.909 236.860 245.614 1.00 0.00 C +ATOM 10 CA GLN A 10 254.244 240.633 246.021 1.00 0.00 C +ATOM 11 CA LEU A 11 256.932 243.261 246.644 1.00 0.00 C +ATOM 12 CA LEU A 12 257.351 245.868 243.898 1.00 0.00 C +ATOM 13 CA CYS A 13 255.567 249.224 244.178 1.00 0.00 C +ATOM 14 CA GLY A 14 255.995 252.690 245.700 1.00 0.00 C +ATOM 15 CA PRO A 15 257.260 252.130 249.250 1.00 0.00 C +ATOM 16 CA GLY A 16 258.757 252.168 252.753 1.00 0.00 C +ATOM 17 CA PRO A 17 258.327 249.987 255.847 1.00 0.00 C +ATOM 18 CA GLY A 18 257.790 250.434 259.593 1.00 0.00 C +ATOM 19 CA THR A 19 256.105 253.310 261.439 1.00 0.00 C +ATOM 20 CA PRO A 20 255.964 256.171 258.926 1.00 0.00 C +ATOM 21 CA GLY A 21 253.373 257.582 256.516 1.00 0.00 C +ATOM 22 CA PRO A 22 250.996 254.814 255.418 1.00 0.00 C +ATOM 23 CA ALA A 23 251.995 252.712 252.401 1.00 0.00 C +ATOM 24 CA GLY A 24 248.757 252.339 250.429 1.00 0.00 C +ATOM 25 CA ALA A 25 245.385 253.557 251.718 1.00 0.00 C +ATOM 26 CA HIS A 26 241.741 254.321 252.524 1.00 0.00 C +ATOM 27 CA GLY A 27 239.070 251.605 252.625 1.00 0.00 C +ATOM 28 CA VAL A 28 239.028 249.048 249.802 1.00 0.00 C +ATOM 29 CA ASN A 29 239.186 250.727 246.385 1.00 0.00 C +ATOM 30 CA GLU A 30 240.393 253.987 244.826 1.00 0.00 C +ATOM 31 CA GLY A 31 241.704 257.479 244.052 1.00 0.00 C +ATOM 32 CA CYS A 32 242.036 258.636 240.437 1.00 0.00 C +ATOM 33 CA HIS A 33 240.486 262.098 240.077 1.00 0.00 C +ATOM 34 CA ALA A 34 242.966 264.849 239.183 1.00 0.00 C +ATOM 35 CA GLU A 35 242.637 268.431 237.928 1.00 0.00 C +ATOM 36 CA PRO A 36 245.250 270.389 239.891 1.00 0.00 C +ATOM 37 CA LEU A 37 247.453 272.512 237.620 1.00 0.00 C +TER 38 LEU A 37 +END diff --git a/Mammals/Q5MJ08/Q5MJ08.dcd b/Mammals/Q5MJ08/Q5MJ08.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8098da72f262a1e47f80e1cb0435aad3ef7e0295 --- /dev/null +++ b/Mammals/Q5MJ08/Q5MJ08.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6e93337b48a0364f3b4a63b2d1f5c60aa026971b0f41dd5743aca6e302959165 +size 12680276 diff --git a/Mammals/Q5MJ08/top.pdb b/Mammals/Q5MJ08/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e9effa724d4c5af787701c51dd84256e7c926c1c --- /dev/null +++ b/Mammals/Q5MJ08/top.pdb @@ -0,0 +1,103 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 282.629 295.222 249.182 1.00 0.00 C +ATOM 2 CA GLU A 2 282.666 291.535 250.141 1.00 0.00 C +ATOM 3 CA GLU A 3 280.794 288.399 251.227 1.00 0.00 C +ATOM 4 CA PRO A 4 278.010 285.807 251.439 1.00 0.00 C +ATOM 5 CA THR A 5 276.065 286.039 248.171 1.00 0.00 C +ATOM 6 CA SER A 6 276.948 282.994 246.058 1.00 0.00 C +ATOM 7 CA SER A 7 276.557 279.454 244.705 1.00 0.00 C +ATOM 8 CA THR A 8 278.203 277.780 241.705 1.00 0.00 C +ATOM 9 CA ASN A 9 278.198 274.021 241.081 1.00 0.00 C +ATOM 10 CA GLU A 10 275.935 270.968 240.812 1.00 0.00 C +ATOM 11 CA ASN A 11 272.472 272.372 240.070 1.00 0.00 C +ATOM 12 CA LYS A 12 270.930 272.794 236.612 1.00 0.00 C +ATOM 13 CA MET A 13 271.712 270.132 234.001 1.00 0.00 C +ATOM 14 CA LYS A 14 269.553 267.402 232.451 1.00 0.00 C +ATOM 15 CA SER A 15 267.603 264.129 232.497 1.00 0.00 C +ATOM 16 CA PRO A 16 266.153 261.785 235.127 1.00 0.00 C +ATOM 17 CA CYS A 17 263.932 260.123 237.739 1.00 0.00 C +ATOM 18 CA GLU A 18 263.412 257.132 240.040 1.00 0.00 C +ATOM 19 CA SER A 19 264.922 253.668 240.525 1.00 0.00 C +ATOM 20 CA ASN A 20 268.472 254.217 241.794 1.00 0.00 C +ATOM 21 CA LYS A 21 272.099 254.332 242.954 1.00 0.00 C +ATOM 22 CA ARG A 22 275.304 255.314 244.766 1.00 0.00 C +ATOM 23 CA LYS A 23 277.063 258.201 246.523 1.00 0.00 C +ATOM 24 CA VAL A 24 275.344 261.516 247.276 1.00 0.00 C +ATOM 25 CA ASP A 25 275.872 265.165 246.317 1.00 0.00 C +ATOM 26 CA LYS A 26 277.388 267.745 248.675 1.00 0.00 C +ATOM 27 CA LYS A 27 279.701 266.511 251.440 1.00 0.00 C +ATOM 28 CA LYS A 28 282.303 263.773 251.935 1.00 0.00 C +ATOM 29 CA LYS A 29 283.274 260.371 253.348 1.00 0.00 C +ATOM 30 CA ASN A 30 284.182 256.840 252.242 1.00 0.00 C +ATOM 31 CA LEU A 31 284.651 253.569 254.138 1.00 0.00 C +ATOM 32 CA HIS A 32 284.897 252.729 257.846 1.00 0.00 C +ATOM 33 CA ARG A 33 282.183 252.781 260.519 1.00 0.00 C +ATOM 34 CA ALA A 34 278.469 252.834 259.671 1.00 0.00 C +ATOM 35 CA SER A 35 274.729 252.114 259.778 1.00 0.00 C +ATOM 36 CA ALA A 36 272.480 250.083 262.086 1.00 0.00 C +ATOM 37 CA PRO A 37 272.608 246.408 261.087 1.00 0.00 C +ATOM 38 CA GLU A 38 272.647 242.600 261.197 1.00 0.00 C +ATOM 39 CA GLN A 39 275.875 240.589 261.415 1.00 0.00 C +ATOM 40 CA SER A 40 277.650 239.764 264.684 1.00 0.00 C +ATOM 41 CA LEU A 41 278.546 236.632 266.660 1.00 0.00 C +ATOM 42 CA LYS A 42 276.286 233.684 265.813 1.00 0.00 C +ATOM 43 CA GLU A 43 273.363 231.522 264.675 1.00 0.00 C +ATOM 44 CA THR A 44 270.496 230.633 262.328 1.00 0.00 C +ATOM 45 CA GLU A 45 267.055 229.038 262.685 1.00 0.00 C +ATOM 46 CA LYS A 46 264.078 227.360 261.000 1.00 0.00 C +ATOM 47 CA ALA A 47 261.438 224.613 261.043 1.00 0.00 C +ATOM 48 CA LYS A 48 258.566 225.297 263.451 1.00 0.00 C +ATOM 49 CA TYR A 49 255.321 225.660 261.487 1.00 0.00 C +ATOM 50 CA PRO A 50 253.171 224.746 258.478 1.00 0.00 C +ATOM 51 CA THR A 51 252.045 227.411 255.999 1.00 0.00 C +ATOM 52 CA LEU A 52 248.834 228.756 254.451 1.00 0.00 C +ATOM 53 CA VAL A 53 246.432 230.031 251.783 1.00 0.00 C +ATOM 54 CA PHE A 54 245.360 233.684 251.640 1.00 0.00 C +ATOM 55 CA TYR A 55 246.255 236.819 249.669 1.00 0.00 C +ATOM 56 CA CYS A 56 246.965 240.224 251.225 1.00 0.00 C +ATOM 57 CA ARG A 57 246.627 242.992 248.630 1.00 0.00 C +ATOM 58 CA LYS A 58 245.285 246.170 247.012 1.00 0.00 C +ATOM 59 CA ASN A 59 244.821 247.297 243.403 1.00 0.00 C +ATOM 60 CA LYS A 60 246.122 250.077 241.145 1.00 0.00 C +ATOM 61 CA LYS A 61 244.677 250.855 237.707 1.00 0.00 C +ATOM 62 CA ARG A 62 241.087 252.122 237.543 1.00 0.00 C +ATOM 63 CA ASN A 63 241.121 255.585 239.130 1.00 0.00 C +ATOM 64 CA SER A 64 241.444 259.381 239.199 1.00 0.00 C +ATOM 65 CA ASN A 65 238.875 261.438 241.119 1.00 0.00 C +ATOM 66 CA GLN A 66 236.458 261.158 244.051 1.00 0.00 C +ATOM 67 CA LEU A 67 233.281 259.507 242.746 1.00 0.00 C +ATOM 68 CA GLU A 68 230.612 262.082 241.871 1.00 0.00 C +ATOM 69 CA ASN A 69 227.450 261.001 243.700 1.00 0.00 C +ATOM 70 CA ASN A 70 224.946 258.615 245.299 1.00 0.00 C +ATOM 71 CA GLN A 71 222.075 256.186 244.689 1.00 0.00 C +ATOM 72 CA PRO A 72 218.669 254.619 245.365 1.00 0.00 C +ATOM 73 CA THR A 73 217.833 252.141 242.594 1.00 0.00 C +ATOM 74 CA GLU A 74 219.590 252.226 239.214 1.00 0.00 C +ATOM 75 CA SER A 75 218.364 250.691 235.949 1.00 0.00 C +ATOM 76 CA SER A 76 217.677 246.961 235.587 1.00 0.00 C +ATOM 77 CA THR A 77 215.152 244.722 237.355 1.00 0.00 C +ATOM 78 CA ASP A 78 213.527 241.514 238.614 1.00 0.00 C +ATOM 79 CA PRO A 79 211.837 241.105 242.004 1.00 0.00 C +ATOM 80 CA ILE A 80 211.982 239.818 245.587 1.00 0.00 C +ATOM 81 CA LYS A 81 214.484 237.948 247.768 1.00 0.00 C +ATOM 82 CA GLU A 82 216.769 235.128 246.611 1.00 0.00 C +ATOM 83 CA LYS A 83 219.811 233.268 247.953 1.00 0.00 C +ATOM 84 CA GLY A 84 223.212 232.119 249.230 1.00 0.00 C +ATOM 85 CA ASP A 85 226.926 232.570 249.950 1.00 0.00 C +ATOM 86 CA LEU A 86 228.366 236.081 250.284 1.00 0.00 C +ATOM 87 CA ASP A 87 226.409 238.053 252.892 1.00 0.00 C +ATOM 88 CA ILE A 88 223.106 239.609 253.980 1.00 0.00 C +ATOM 89 CA SER A 89 219.360 239.838 254.636 1.00 0.00 C +ATOM 90 CA ALA A 90 217.693 236.412 254.701 1.00 0.00 C +ATOM 91 CA GLY A 91 214.377 234.726 255.525 1.00 0.00 C +ATOM 92 CA SER A 92 212.687 234.566 258.936 1.00 0.00 C +ATOM 93 CA PRO A 93 209.849 232.521 260.445 1.00 0.00 C +ATOM 94 CA GLN A 94 206.199 232.892 259.418 1.00 0.00 C +ATOM 95 CA ASP A 95 203.991 233.104 262.516 1.00 0.00 C +ATOM 96 CA GLY A 96 205.019 232.413 266.119 1.00 0.00 C +ATOM 97 CA GLY A 97 201.930 231.417 268.114 1.00 0.00 C +ATOM 98 CA GLN A 98 201.463 230.380 271.750 1.00 0.00 C +ATOM 99 CA ASN A 99 200.741 233.369 274.000 1.00 0.00 C +TER 100 ASN A 99 +END diff --git a/Mammals/Q5MPV9/Q5MPV9.dcd b/Mammals/Q5MPV9/Q5MPV9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c3643ae0a2fac92e3a3f56fb60545d0f819c5af5 --- /dev/null +++ b/Mammals/Q5MPV9/Q5MPV9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:63962d0317cc2c861408283162af25e5066fddd1cc675b751e3ce83924a45060 +size 6440276 diff --git a/Mammals/Q5MPV9/top.pdb b/Mammals/Q5MPV9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..cf84c82342feec710caad99409221d2b580f0d76 --- /dev/null +++ b/Mammals/Q5MPV9/top.pdb @@ -0,0 +1,51 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ALA A 1 275.313 241.744 268.429 1.00 0.00 C +ATOM 2 CA ALA A 2 273.437 244.224 266.227 1.00 0.00 C +ATOM 3 CA ALA A 3 271.588 245.428 263.121 1.00 0.00 C +ATOM 4 CA ARG A 4 271.132 245.779 259.354 1.00 0.00 C +ATOM 5 CA ARG A 5 270.839 242.981 256.785 1.00 0.00 C +ATOM 6 CA ARG A 6 267.740 241.481 255.153 1.00 0.00 C +ATOM 7 CA GLN A 7 264.565 243.583 255.041 1.00 0.00 C +ATOM 8 CA GLN A 8 261.635 243.961 257.447 1.00 0.00 C +ATOM 9 CA GLN A 9 259.547 245.206 260.380 1.00 0.00 C +ATOM 10 CA GLN A 10 257.936 248.266 261.981 1.00 0.00 C +ATOM 11 CA GLN A 11 258.780 251.955 262.417 1.00 0.00 C +ATOM 12 CA GLN A 12 258.278 254.755 259.882 1.00 0.00 C +ATOM 13 CA GLN A 13 255.240 254.942 257.590 1.00 0.00 C +ATOM 14 CA GLN A 14 251.497 254.979 256.881 1.00 0.00 C +ATOM 15 CA GLN A 15 249.434 254.506 253.712 1.00 0.00 C +ATOM 16 CA GLN A 16 250.717 255.896 250.405 1.00 0.00 C +ATOM 17 CA GLN A 17 253.916 255.926 248.337 1.00 0.00 C +ATOM 18 CA GLN A 18 255.368 253.282 246.009 1.00 0.00 C +ATOM 19 CA GLN A 19 257.382 250.050 246.129 1.00 0.00 C +ATOM 20 CA GLU A 20 255.557 247.609 248.414 1.00 0.00 C +ATOM 21 CA GLN A 21 252.017 248.747 249.243 1.00 0.00 C +ATOM 22 CA GLN A 22 248.314 248.200 249.952 1.00 0.00 C +ATOM 23 CA GLN A 23 245.448 245.731 249.492 1.00 0.00 C +ATOM 24 CA GLN A 24 246.056 242.509 251.432 1.00 0.00 C +ATOM 25 CA GLN A 25 244.825 239.074 252.526 1.00 0.00 C +ATOM 26 CA GLN A 26 241.606 238.112 250.729 1.00 0.00 C +ATOM 27 CA PRO A 27 240.443 240.306 247.840 1.00 0.00 C +ATOM 28 CA SER A 28 237.746 242.047 245.787 1.00 0.00 C +ATOM 29 CA PRO A 29 235.334 243.940 248.048 1.00 0.00 C +ATOM 30 CA SER A 30 232.498 243.707 250.581 1.00 0.00 C +ATOM 31 CA ALA A 31 231.984 244.639 254.240 1.00 0.00 C +ATOM 32 CA SER A 32 231.393 248.309 255.073 1.00 0.00 C +ATOM 33 CA THR A 33 233.636 250.779 253.234 1.00 0.00 C +ATOM 34 CA ALA A 34 237.415 251.116 252.881 1.00 0.00 C +ATOM 35 CA GLN A 35 239.980 249.127 250.886 1.00 0.00 C +ATOM 36 CA THR A 36 242.423 251.339 248.974 1.00 0.00 C +ATOM 37 CA SER A 37 241.573 254.741 247.482 1.00 0.00 C +ATOM 38 CA GLN A 38 240.042 254.992 244.003 1.00 0.00 C +ATOM 39 CA LEU A 39 239.089 253.040 240.873 1.00 0.00 C +ATOM 40 CA GLN A 40 240.974 254.707 238.011 1.00 0.00 C +ATOM 41 CA PRO A 41 244.220 255.206 236.080 1.00 0.00 C +ATOM 42 CA ASN A 42 247.891 255.917 235.353 1.00 0.00 C +ATOM 43 CA LEU A 43 249.082 257.566 232.131 1.00 0.00 C +ATOM 44 CA VAL A 44 248.564 261.318 231.723 1.00 0.00 C +ATOM 45 CA SER A 45 247.323 264.738 230.590 1.00 0.00 C +ATOM 46 CA ALA A 46 246.645 267.110 233.492 1.00 0.00 C +ATOM 47 CA SER A 47 243.578 266.430 235.648 1.00 0.00 C +TER 48 SER A 47 +END diff --git a/Mammals/Q5NVP7/Q5NVP7.dcd b/Mammals/Q5NVP7/Q5NVP7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..1e0fbdb0248194691a6c819c2060ddc4f2880682 --- /dev/null +++ b/Mammals/Q5NVP7/Q5NVP7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:68bfcdc3b8e1ac0804cf34ef22f3daeda42b22b72603ca42efcff2ebd0d78514 +size 44040276 diff --git a/Mammals/Q5NVP7/top.pdb b/Mammals/Q5NVP7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ff044ddc2a6a7ef305f5da4814e5dced4de769d2 --- /dev/null +++ b/Mammals/Q5NVP7/top.pdb @@ -0,0 +1,242 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 255.173 292.559 262.306 1.00 0.00 C +ATOM 2 CA LEU A 2 253.423 293.468 259.046 1.00 0.00 C +ATOM 3 CA CYS A 3 256.177 294.352 256.565 1.00 0.00 C +ATOM 4 CA CYS A 4 257.904 291.172 255.372 1.00 0.00 C +ATOM 5 CA MET A 5 256.784 290.508 251.791 1.00 0.00 C +ATOM 6 CA ARG A 6 255.582 292.118 248.554 1.00 0.00 C +ATOM 7 CA ARG A 7 256.763 294.471 245.800 1.00 0.00 C +ATOM 8 CA THR A 8 259.240 295.699 243.179 1.00 0.00 C +ATOM 9 CA LYS A 9 261.909 297.499 241.141 1.00 0.00 C +ATOM 10 CA GLN A 10 262.728 300.273 238.661 1.00 0.00 C +ATOM 11 CA VAL A 11 265.125 301.902 236.188 1.00 0.00 C +ATOM 12 CA GLU A 12 267.233 304.890 237.258 1.00 0.00 C +ATOM 13 CA LYS A 13 265.255 306.956 239.774 1.00 0.00 C +ATOM 14 CA ASN A 14 262.600 309.535 240.678 1.00 0.00 C +ATOM 15 CA ASP A 15 259.342 307.910 241.802 1.00 0.00 C +ATOM 16 CA ASP A 16 256.351 308.555 239.533 1.00 0.00 C +ATOM 17 CA ASP A 17 253.133 307.089 240.952 1.00 0.00 C +ATOM 18 CA GLN A 18 252.609 303.610 239.490 1.00 0.00 C +ATOM 19 CA LYS A 19 249.652 301.399 238.550 1.00 0.00 C +ATOM 20 CA ILE A 20 248.467 298.136 236.981 1.00 0.00 C +ATOM 21 CA GLU A 21 251.263 296.813 234.756 1.00 0.00 C +ATOM 22 CA GLN A 22 251.817 299.498 232.110 1.00 0.00 C +ATOM 23 CA ASP A 23 254.243 298.695 229.284 1.00 0.00 C +ATOM 24 CA GLY A 24 255.874 301.045 226.767 1.00 0.00 C +ATOM 25 CA ILE A 25 256.848 300.469 223.129 1.00 0.00 C +ATOM 26 CA LYS A 26 260.252 298.879 222.496 1.00 0.00 C +ATOM 27 CA PRO A 27 262.049 296.730 225.079 1.00 0.00 C +ATOM 28 CA GLU A 28 264.466 296.540 228.017 1.00 0.00 C +ATOM 29 CA ASP A 29 267.373 295.343 230.170 1.00 0.00 C +ATOM 30 CA LYS A 30 269.632 292.288 230.455 1.00 0.00 C +ATOM 31 CA ALA A 31 272.418 290.124 229.015 1.00 0.00 C +ATOM 32 CA HIS A 32 271.017 286.614 228.530 1.00 0.00 C +ATOM 33 CA LYS A 33 269.862 283.136 227.491 1.00 0.00 C +ATOM 34 CA ALA A 34 268.499 279.645 226.803 1.00 0.00 C +ATOM 35 CA ALA A 35 267.180 278.275 230.104 1.00 0.00 C +ATOM 36 CA THR A 36 263.372 278.279 230.246 1.00 0.00 C +ATOM 37 CA LYS A 37 262.241 281.349 232.198 1.00 0.00 C +ATOM 38 CA ILE A 38 260.237 282.427 235.254 1.00 0.00 C +ATOM 39 CA GLN A 39 256.441 282.713 235.109 1.00 0.00 C +ATOM 40 CA ALA A 40 255.168 285.972 236.617 1.00 0.00 C +ATOM 41 CA SER A 41 253.819 287.646 239.762 1.00 0.00 C +ATOM 42 CA PHE A 42 252.648 288.679 243.237 1.00 0.00 C +ATOM 43 CA ARG A 43 250.379 289.814 246.080 1.00 0.00 C +ATOM 44 CA GLY A 44 247.547 291.658 247.839 1.00 0.00 C +ATOM 45 CA HIS A 45 246.341 294.555 245.679 1.00 0.00 C +ATOM 46 CA ILE A 46 244.730 298.007 245.617 1.00 0.00 C +ATOM 47 CA THR A 47 242.238 299.368 243.076 1.00 0.00 C +ATOM 48 CA ARG A 48 240.885 301.626 240.322 1.00 0.00 C +ATOM 49 CA LYS A 49 241.673 300.806 236.686 1.00 0.00 C +ATOM 50 CA LYS A 50 240.254 299.461 233.416 1.00 0.00 C +ATOM 51 CA LEU A 51 240.496 295.733 232.666 1.00 0.00 C +ATOM 52 CA LYS A 52 238.228 292.712 233.158 1.00 0.00 C +ATOM 53 CA GLY A 53 236.417 289.423 232.513 1.00 0.00 C +ATOM 54 CA GLU A 54 237.647 285.818 232.418 1.00 0.00 C +ATOM 55 CA LYS A 55 237.723 283.691 235.578 1.00 0.00 C +ATOM 56 CA LYS A 56 240.290 283.917 238.384 1.00 0.00 C +ATOM 57 CA ASP A 57 241.668 284.285 241.917 1.00 0.00 C +ATOM 58 CA ASP A 58 243.186 285.676 245.122 1.00 0.00 C +ATOM 59 CA VAL A 59 244.174 285.068 248.751 1.00 0.00 C +ATOM 60 CA GLN A 60 243.237 283.672 252.170 1.00 0.00 C +ATOM 61 CA ALA A 61 240.280 284.049 254.543 1.00 0.00 C +ATOM 62 CA ALA A 62 240.161 287.632 255.833 1.00 0.00 C +ATOM 63 CA GLU A 63 240.337 289.390 259.209 1.00 0.00 C +ATOM 64 CA VAL A 64 237.288 289.958 261.423 1.00 0.00 C +ATOM 65 CA GLU A 65 235.536 286.580 261.616 1.00 0.00 C +ATOM 66 CA ALA A 66 238.120 283.981 262.660 1.00 0.00 C +ATOM 67 CA ASN A 67 239.469 282.666 265.972 1.00 0.00 C +ATOM 68 CA LYS A 68 241.668 279.576 266.335 1.00 0.00 C +ATOM 69 CA LYS A 69 241.866 278.930 270.084 1.00 0.00 C +ATOM 70 CA ASP A 70 244.896 276.720 270.754 1.00 0.00 C +ATOM 71 CA GLU A 71 248.610 276.348 269.992 1.00 0.00 C +ATOM 72 CA GLY A 72 250.824 276.183 266.896 1.00 0.00 C +ATOM 73 CA PRO A 73 251.779 273.940 263.968 1.00 0.00 C +ATOM 74 CA VAL A 74 253.913 273.787 260.815 1.00 0.00 C +ATOM 75 CA ALA A 75 254.953 270.583 259.035 1.00 0.00 C +ATOM 76 CA ASP A 76 254.214 267.957 256.376 1.00 0.00 C +ATOM 77 CA GLY A 77 253.763 264.442 254.976 1.00 0.00 C +ATOM 78 CA VAL A 78 253.824 261.152 256.896 1.00 0.00 C +ATOM 79 CA GLU A 79 255.853 260.056 259.929 1.00 0.00 C +ATOM 80 CA LYS A 80 258.939 258.018 259.013 1.00 0.00 C +ATOM 81 CA LYS A 81 260.671 255.778 256.464 1.00 0.00 C +ATOM 82 CA GLY A 82 260.487 253.045 253.816 1.00 0.00 C +ATOM 83 CA GLU A 83 263.801 252.420 252.043 1.00 0.00 C +ATOM 84 CA GLY A 84 266.096 249.379 252.006 1.00 0.00 C +ATOM 85 CA THR A 85 266.035 245.578 252.264 1.00 0.00 C +ATOM 86 CA THR A 86 265.773 241.981 253.492 1.00 0.00 C +ATOM 87 CA THR A 87 265.777 239.215 256.112 1.00 0.00 C +ATOM 88 CA ALA A 88 263.082 236.666 255.240 1.00 0.00 C +ATOM 89 CA GLU A 89 261.848 233.063 255.348 1.00 0.00 C +ATOM 90 CA ALA A 90 263.616 229.709 254.969 1.00 0.00 C +ATOM 91 CA ALA A 91 263.114 227.582 251.849 1.00 0.00 C +ATOM 92 CA PRO A 92 264.795 227.968 248.452 1.00 0.00 C +ATOM 93 CA ALA A 93 266.469 228.209 245.038 1.00 0.00 C +ATOM 94 CA THR A 94 269.059 229.878 242.796 1.00 0.00 C +ATOM 95 CA GLY A 95 269.567 233.495 241.711 1.00 0.00 C +ATOM 96 CA SER A 96 272.021 233.498 238.797 1.00 0.00 C +ATOM 97 CA LYS A 97 274.345 231.951 236.204 1.00 0.00 C +ATOM 98 CA PRO A 98 278.065 232.152 237.006 1.00 0.00 C +ATOM 99 CA ASP A 99 279.862 230.449 239.902 1.00 0.00 C +ATOM 100 CA GLU A 100 283.542 230.590 240.881 1.00 0.00 C +ATOM 101 CA PRO A 101 285.932 229.605 243.680 1.00 0.00 C +ATOM 102 CA GLY A 102 289.524 228.344 243.824 1.00 0.00 C +ATOM 103 CA LYS A 103 291.768 231.122 242.496 1.00 0.00 C +ATOM 104 CA ALA A 104 292.448 233.916 244.996 1.00 0.00 C +ATOM 105 CA GLY A 105 294.566 234.597 248.088 1.00 0.00 C +ATOM 106 CA GLU A 106 294.901 238.348 248.667 1.00 0.00 C +ATOM 107 CA THR A 107 293.055 241.332 250.153 1.00 0.00 C +ATOM 108 CA PRO A 108 291.921 241.677 253.774 1.00 0.00 C +ATOM 109 CA SER A 109 294.485 241.127 256.537 1.00 0.00 C +ATOM 110 CA GLU A 110 297.880 241.345 258.254 1.00 0.00 C +ATOM 111 CA GLU A 111 300.196 240.309 261.096 1.00 0.00 C +ATOM 112 CA LYS A 112 299.691 242.518 264.158 1.00 0.00 C +ATOM 113 CA LYS A 113 296.155 243.678 264.975 1.00 0.00 C +ATOM 114 CA GLY A 114 295.022 242.093 268.249 1.00 0.00 C +ATOM 115 CA GLU A 115 292.017 239.764 267.993 1.00 0.00 C +ATOM 116 CA GLY A 116 290.060 236.690 269.103 1.00 0.00 C +ATOM 117 CA ASP A 117 286.842 235.302 270.598 1.00 0.00 C +ATOM 118 CA ALA A 118 284.998 233.370 267.881 1.00 0.00 C +ATOM 119 CA ALA A 119 282.168 230.872 267.367 1.00 0.00 C +ATOM 120 CA THR A 120 281.084 227.993 265.119 1.00 0.00 C +ATOM 121 CA GLU A 121 277.563 226.539 265.052 1.00 0.00 C +ATOM 122 CA GLN A 122 274.481 225.735 262.961 1.00 0.00 C +ATOM 123 CA ALA A 123 271.698 228.063 264.125 1.00 0.00 C +ATOM 124 CA ALA A 124 268.280 227.064 265.479 1.00 0.00 C +ATOM 125 CA PRO A 125 264.551 226.284 265.424 1.00 0.00 C +ATOM 126 CA GLN A 126 262.387 225.169 262.493 1.00 0.00 C +ATOM 127 CA ALA A 127 260.783 225.801 259.095 1.00 0.00 C +ATOM 128 CA PRO A 128 257.989 223.229 258.791 1.00 0.00 C +ATOM 129 CA ALA A 129 258.939 219.909 257.181 1.00 0.00 C +ATOM 130 CA SER A 130 261.581 217.265 257.923 1.00 0.00 C +ATOM 131 CA SER A 131 259.720 213.946 257.725 1.00 0.00 C +ATOM 132 CA GLU A 132 256.292 214.693 259.210 1.00 0.00 C +ATOM 133 CA GLU A 133 253.977 211.691 259.594 1.00 0.00 C +ATOM 134 CA LYS A 134 250.248 211.966 260.326 1.00 0.00 C +ATOM 135 CA ALA A 135 248.755 215.305 261.392 1.00 0.00 C +ATOM 136 CA GLY A 136 251.107 216.885 263.939 1.00 0.00 C +ATOM 137 CA SER A 137 250.463 220.085 265.905 1.00 0.00 C +ATOM 138 CA ALA A 138 249.261 220.603 269.483 1.00 0.00 C +ATOM 139 CA GLU A 139 245.710 221.915 269.911 1.00 0.00 C +ATOM 140 CA THR A 140 243.841 224.028 272.472 1.00 0.00 C +ATOM 141 CA GLU A 141 240.363 225.583 272.441 1.00 0.00 C +ATOM 142 CA SER A 142 237.078 225.847 270.528 1.00 0.00 C +ATOM 143 CA ALA A 143 233.387 226.503 269.853 1.00 0.00 C +ATOM 144 CA THR A 144 232.057 230.060 269.543 1.00 0.00 C +ATOM 145 CA LYS A 145 230.369 231.991 272.360 1.00 0.00 C +ATOM 146 CA ALA A 146 227.289 234.231 272.465 1.00 0.00 C +ATOM 147 CA SER A 147 224.300 236.518 273.058 1.00 0.00 C +ATOM 148 CA THR A 148 221.786 237.586 275.714 1.00 0.00 C +ATOM 149 CA ASP A 149 221.245 240.025 278.591 1.00 0.00 C +ATOM 150 CA ASN A 150 220.708 243.744 277.965 1.00 0.00 C +ATOM 151 CA SER A 151 223.835 245.727 277.068 1.00 0.00 C +ATOM 152 CA PRO A 152 227.618 246.176 277.043 1.00 0.00 C +ATOM 153 CA SER A 153 229.957 244.759 279.696 1.00 0.00 C +ATOM 154 CA SER A 154 233.390 243.517 278.606 1.00 0.00 C +ATOM 155 CA GLU A 155 235.188 246.043 276.392 1.00 0.00 C +ATOM 156 CA ALA A 156 236.938 249.416 276.117 1.00 0.00 C +ATOM 157 CA GLU A 157 238.478 251.097 279.170 1.00 0.00 C +ATOM 158 CA ASP A 158 241.260 250.374 281.671 1.00 0.00 C +ATOM 159 CA ALA A 159 241.364 246.635 282.395 1.00 0.00 C +ATOM 160 CA PRO A 160 242.711 244.629 279.449 1.00 0.00 C +ATOM 161 CA ALA A 161 241.842 242.946 276.144 1.00 0.00 C +ATOM 162 CA LYS A 162 240.789 244.183 272.697 1.00 0.00 C +ATOM 163 CA GLU A 163 241.679 244.169 268.992 1.00 0.00 C +ATOM 164 CA GLU A 164 245.376 244.975 268.553 1.00 0.00 C +ATOM 165 CA PRO A 165 248.288 247.372 269.096 1.00 0.00 C +ATOM 166 CA LYS A 166 250.846 250.151 268.595 1.00 0.00 C +ATOM 167 CA GLN A 167 253.760 252.596 268.384 1.00 0.00 C +ATOM 168 CA ALA A 168 257.476 252.458 267.552 1.00 0.00 C +ATOM 169 CA ASP A 169 259.124 250.145 265.012 1.00 0.00 C +ATOM 170 CA VAL A 170 259.457 251.661 261.533 1.00 0.00 C +ATOM 171 CA PRO A 171 259.504 248.814 259.000 1.00 0.00 C +ATOM 172 CA ALA A 172 261.064 246.966 256.056 1.00 0.00 C +ATOM 173 CA ALA A 173 259.208 247.081 252.731 1.00 0.00 C +ATOM 174 CA VAL A 174 260.184 245.205 249.562 1.00 0.00 C +ATOM 175 CA THR A 175 258.925 241.660 250.165 1.00 0.00 C +ATOM 176 CA ALA A 176 257.982 238.033 249.478 1.00 0.00 C +ATOM 177 CA ALA A 177 256.459 236.579 252.654 1.00 0.00 C +ATOM 178 CA ALA A 178 252.731 236.317 251.915 1.00 0.00 C +ATOM 179 CA ALA A 179 250.681 234.103 249.589 1.00 0.00 C +ATOM 180 CA THR A 180 247.958 235.931 247.650 1.00 0.00 C +ATOM 181 CA THR A 181 244.531 235.555 246.027 1.00 0.00 C +ATOM 182 CA PRO A 182 242.042 234.128 243.520 1.00 0.00 C +ATOM 183 CA ALA A 183 238.860 233.136 241.675 1.00 0.00 C +ATOM 184 CA ALA A 184 236.841 229.913 241.442 1.00 0.00 C +ATOM 185 CA GLU A 185 233.511 228.533 240.208 1.00 0.00 C +ATOM 186 CA ASP A 186 232.910 225.381 242.262 1.00 0.00 C +ATOM 187 CA ALA A 187 230.519 225.248 245.225 1.00 0.00 C +ATOM 188 CA ALA A 188 226.712 225.244 245.364 1.00 0.00 C +ATOM 189 CA ALA A 189 224.594 223.135 247.726 1.00 0.00 C +ATOM 190 CA LYS A 190 221.186 221.546 248.343 1.00 0.00 C +ATOM 191 CA ALA A 191 220.495 217.881 247.566 1.00 0.00 C +ATOM 192 CA THR A 192 217.033 217.288 246.089 1.00 0.00 C +ATOM 193 CA ALA A 193 214.238 214.845 245.230 1.00 0.00 C +ATOM 194 CA GLN A 194 211.340 213.938 242.929 1.00 0.00 C +ATOM 195 CA PRO A 195 208.429 211.961 244.388 1.00 0.00 C +ATOM 196 CA PRO A 196 208.177 208.353 243.189 1.00 0.00 C +ATOM 197 CA THR A 197 206.985 207.458 239.683 1.00 0.00 C +ATOM 198 CA GLU A 198 206.941 210.699 237.682 1.00 0.00 C +ATOM 199 CA THR A 199 207.778 214.293 236.734 1.00 0.00 C +ATOM 200 CA GLY A 200 206.507 217.759 237.677 1.00 0.00 C +ATOM 201 CA GLU A 201 206.653 221.065 239.567 1.00 0.00 C +ATOM 202 CA SER A 202 209.591 221.936 241.831 1.00 0.00 C +ATOM 203 CA SER A 203 209.822 225.591 242.880 1.00 0.00 C +ATOM 204 CA GLN A 204 210.790 229.054 241.619 1.00 0.00 C +ATOM 205 CA ALA A 205 213.055 231.813 240.287 1.00 0.00 C +ATOM 206 CA GLU A 206 216.691 232.859 240.733 1.00 0.00 C +ATOM 207 CA GLU A 207 217.599 233.649 244.348 1.00 0.00 C +ATOM 208 CA ASN A 208 220.943 233.844 246.164 1.00 0.00 C +ATOM 209 CA ILE A 209 222.838 235.543 248.999 1.00 0.00 C +ATOM 210 CA GLU A 210 220.717 234.990 252.116 1.00 0.00 C +ATOM 211 CA ALA A 211 218.919 233.085 254.882 1.00 0.00 C +ATOM 212 CA VAL A 212 217.662 229.849 253.310 1.00 0.00 C +ATOM 213 CA ASP A 213 217.318 227.025 250.776 1.00 0.00 C +ATOM 214 CA GLU A 214 217.194 227.265 246.976 1.00 0.00 C +ATOM 215 CA THR A 215 218.860 225.858 243.852 1.00 0.00 C +ATOM 216 CA LYS A 216 221.106 226.268 240.801 1.00 0.00 C +ATOM 217 CA PRO A 217 224.633 226.719 239.433 1.00 0.00 C +ATOM 218 CA LYS A 218 224.951 227.404 235.699 1.00 0.00 C +ATOM 219 CA GLU A 219 227.612 227.061 232.993 1.00 0.00 C +ATOM 220 CA SER A 220 230.629 225.080 234.213 1.00 0.00 C +ATOM 221 CA ALA A 221 230.347 221.740 232.403 1.00 0.00 C +ATOM 222 CA ARG A 222 232.564 218.717 233.085 1.00 0.00 C +ATOM 223 CA GLN A 223 235.165 216.568 231.313 1.00 0.00 C +ATOM 224 CA ASP A 224 236.028 212.902 231.885 1.00 0.00 C +ATOM 225 CA GLU A 225 239.745 212.464 231.172 1.00 0.00 C +ATOM 226 CA GLY A 226 240.439 213.809 227.675 1.00 0.00 C +ATOM 227 CA LYS A 227 243.418 216.142 228.119 1.00 0.00 C +ATOM 228 CA GLU A 228 246.967 216.367 226.750 1.00 0.00 C +ATOM 229 CA GLU A 229 248.692 215.810 223.399 1.00 0.00 C +ATOM 230 CA GLU A 230 250.550 212.682 222.267 1.00 0.00 C +ATOM 231 CA PRO A 231 250.072 208.998 223.117 1.00 0.00 C +ATOM 232 CA GLU A 232 252.440 206.015 223.028 1.00 0.00 C +ATOM 233 CA ALA A 233 255.450 204.240 224.547 1.00 0.00 C +ATOM 234 CA ASP A 234 257.923 203.869 227.422 1.00 0.00 C +ATOM 235 CA ARG A 235 256.945 203.967 231.103 1.00 0.00 C +ATOM 236 CA GLU A 236 254.467 201.835 233.058 1.00 0.00 C +ATOM 237 CA HIS A 237 252.938 199.458 235.614 1.00 0.00 C +ATOM 238 CA ALA A 238 250.040 197.073 236.270 1.00 0.00 C +TER 239 ALA A 238 +END diff --git a/Mammals/Q5PXH1/Q5PXH1.dcd b/Mammals/Q5PXH1/Q5PXH1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a7a217c23cfe9440f4dcb113400170de46e7a6b7 --- /dev/null +++ b/Mammals/Q5PXH1/Q5PXH1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cbe47d436ef3a5dd99d60eb1581e808bbdc53621094e5c99865d34042eb44ae1 +size 11360276 diff --git a/Mammals/Q5PXH1/top.pdb b/Mammals/Q5PXH1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5393b425f1204e982487a790399e82aa6cc815e9 --- /dev/null +++ b/Mammals/Q5PXH1/top.pdb @@ -0,0 +1,92 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA SER A 1 240.804 291.324 260.322 1.00 0.00 C +ATOM 2 CA VAL A 2 239.275 294.556 259.007 1.00 0.00 C +ATOM 3 CA GLU A 3 235.665 295.193 257.967 1.00 0.00 C +ATOM 4 CA ASN A 4 234.250 292.349 255.863 1.00 0.00 C +ATOM 5 CA SER A 5 237.209 290.552 254.272 1.00 0.00 C +ATOM 6 CA ARG A 6 236.778 286.788 254.679 1.00 0.00 C +ATOM 7 CA PRO A 7 238.062 283.280 255.426 1.00 0.00 C +ATOM 8 CA THR A 8 235.945 280.270 254.440 1.00 0.00 C +ATOM 9 CA GLY A 9 234.058 277.097 253.496 1.00 0.00 C +ATOM 10 CA GLN A 10 236.058 274.079 252.310 1.00 0.00 C +ATOM 11 CA GLN A 11 234.298 270.727 252.740 1.00 0.00 C +ATOM 12 CA LEU A 12 231.236 270.372 254.979 1.00 0.00 C +ATOM 13 CA GLU A 13 231.097 266.836 256.391 1.00 0.00 C +ATOM 14 CA SER A 14 231.914 263.598 258.226 1.00 0.00 C +ATOM 15 CA LEU A 15 233.268 261.255 260.908 1.00 0.00 C +ATOM 16 CA ASP A 16 230.315 260.127 263.034 1.00 0.00 C +ATOM 17 CA LEU A 17 229.623 256.392 263.322 1.00 0.00 C +ATOM 18 CA SER A 18 231.039 254.551 260.301 1.00 0.00 C +ATOM 19 CA ALA A 19 230.468 251.071 258.861 1.00 0.00 C +ATOM 20 CA PRO A 20 229.560 247.418 258.268 1.00 0.00 C +ATOM 21 CA TRP A 21 231.143 243.966 258.573 1.00 0.00 C +ATOM 22 CA GLU A 22 234.256 243.807 256.382 1.00 0.00 C +ATOM 23 CA GLN A 23 237.868 243.499 257.556 1.00 0.00 C +ATOM 24 CA SER A 24 240.467 243.084 260.311 1.00 0.00 C +ATOM 25 CA LEU A 25 242.414 240.271 261.987 1.00 0.00 C +ATOM 26 CA PRO A 26 243.057 236.708 260.802 1.00 0.00 C +ATOM 27 CA CYS A 27 240.099 234.308 260.691 1.00 0.00 C +ATOM 28 CA THR A 28 236.735 233.127 262.032 1.00 0.00 C +ATOM 29 CA GLU A 29 234.112 234.669 259.739 1.00 0.00 C +ATOM 30 CA ARG A 30 231.358 236.526 257.872 1.00 0.00 C +ATOM 31 CA LYS A 31 227.659 235.613 257.838 1.00 0.00 C +ATOM 32 CA PRO A 32 224.654 235.596 260.180 1.00 0.00 C +ATOM 33 CA SER A 33 223.541 232.026 260.911 1.00 0.00 C +ATOM 34 CA ALA A 34 222.926 228.484 262.173 1.00 0.00 C +ATOM 35 CA THR A 35 222.670 224.707 262.602 1.00 0.00 C +ATOM 36 CA ALA A 36 222.128 221.528 260.572 1.00 0.00 C +ATOM 37 CA ARG A 37 219.965 222.359 257.548 1.00 0.00 C +ATOM 38 CA LEU A 38 216.873 224.551 257.166 1.00 0.00 C +ATOM 39 CA SER A 39 217.355 226.592 253.985 1.00 0.00 C +ATOM 40 CA ARG A 40 220.639 227.990 252.654 1.00 0.00 C +ATOM 41 CA ARG A 41 223.467 228.349 250.126 1.00 0.00 C +ATOM 42 CA GLY A 42 225.468 231.591 250.072 1.00 0.00 C +ATOM 43 CA ALA A 43 227.658 232.993 247.287 1.00 0.00 C +ATOM 44 CA SER A 44 229.915 235.868 246.209 1.00 0.00 C +ATOM 45 CA LEU A 45 231.933 237.930 243.720 1.00 0.00 C +ATOM 46 CA SER A 46 233.669 240.873 245.405 1.00 0.00 C +ATOM 47 CA SER A 47 235.083 243.925 247.195 1.00 0.00 C +ATOM 48 CA PRO A 48 236.443 245.866 250.177 1.00 0.00 C +ATOM 49 CA ALA A 49 239.577 247.435 251.672 1.00 0.00 C +ATOM 50 CA GLU A 50 242.423 245.647 253.466 1.00 0.00 C +ATOM 51 CA SER A 51 245.678 246.624 251.744 1.00 0.00 C +ATOM 52 CA SER A 52 249.201 245.943 253.025 1.00 0.00 C +ATOM 53 CA GLY A 53 251.834 244.182 250.908 1.00 0.00 C +ATOM 54 CA SER A 54 252.094 245.962 247.550 1.00 0.00 C +ATOM 55 CA PRO A 55 254.348 248.995 248.039 1.00 0.00 C +ATOM 56 CA GLN A 56 256.895 248.233 250.768 1.00 0.00 C +ATOM 57 CA ARG A 57 257.979 244.747 251.858 1.00 0.00 C +ATOM 58 CA ARG A 58 259.074 241.114 251.509 1.00 0.00 C +ATOM 59 CA GLY A 59 261.152 237.969 252.064 1.00 0.00 C +ATOM 60 CA LEU A 60 263.211 238.070 255.268 1.00 0.00 C +ATOM 61 CA SER A 61 263.634 236.057 258.475 1.00 0.00 C +ATOM 62 CA ALA A 62 263.790 237.390 262.041 1.00 0.00 C +ATOM 63 CA PRO A 63 265.372 240.847 262.281 1.00 0.00 C +ATOM 64 CA SER A 64 268.083 242.253 260.003 1.00 0.00 C +ATOM 65 CA SER A 65 266.393 244.137 257.155 1.00 0.00 C +ATOM 66 CA ARG A 66 268.855 245.221 254.457 1.00 0.00 C +ATOM 67 CA GLN A 67 269.298 246.580 250.925 1.00 0.00 C +ATOM 68 CA ILE A 68 270.324 250.071 249.796 1.00 0.00 C +ATOM 69 CA PRO A 69 271.629 251.233 246.410 1.00 0.00 C +ATOM 70 CA ALA A 70 272.285 248.822 243.534 1.00 0.00 C +ATOM 71 CA PRO A 71 275.415 246.672 243.221 1.00 0.00 C +ATOM 72 CA GLN A 72 278.375 249.048 242.883 1.00 0.00 C +ATOM 73 CA GLY A 73 278.033 251.309 239.836 1.00 0.00 C +ATOM 74 CA ALA A 74 277.885 255.064 240.467 1.00 0.00 C +ATOM 75 CA VAL A 75 280.877 257.304 239.730 1.00 0.00 C +ATOM 76 CA LEU A 76 282.265 255.951 236.450 1.00 0.00 C +ATOM 77 CA VAL A 77 282.430 253.207 233.811 1.00 0.00 C +ATOM 78 CA GLN A 78 284.971 253.463 230.984 1.00 0.00 C +ATOM 79 CA ARG A 79 284.194 255.325 227.752 1.00 0.00 C +ATOM 80 CA GLU A 80 286.081 254.141 224.660 1.00 0.00 C +ATOM 81 CA LYS A 81 286.436 254.511 220.885 1.00 0.00 C +ATOM 82 CA ASP A 82 289.016 255.649 218.323 1.00 0.00 C +ATOM 83 CA LEU A 83 292.733 255.725 219.157 1.00 0.00 C +ATOM 84 CA PRO A 84 293.517 257.407 222.485 1.00 0.00 C +ATOM 85 CA ASN A 85 295.977 259.303 224.691 1.00 0.00 C +ATOM 86 CA TYR A 86 299.697 259.873 224.102 1.00 0.00 C +ATOM 87 CA ASN A 87 302.087 257.490 222.335 1.00 0.00 C +ATOM 88 CA TRP A 88 302.403 256.384 218.703 1.00 0.00 C +TER 89 TRP A 88 +END diff --git a/Mammals/Q5PXT4/Q5PXT4.dcd b/Mammals/Q5PXT4/Q5PXT4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..7fc3cceb4fbe276e33eb551f24d21ae8612302e8 --- /dev/null +++ b/Mammals/Q5PXT4/Q5PXT4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a11608b068a777273cbd92d65b77112b2d93dfa5af717ec812be1d267d1a5a4e +size 5480276 diff --git a/Mammals/Q5PXT4/top.pdb b/Mammals/Q5PXT4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..fc9b567369d56caaeb458a1199547b88803a2b40 --- /dev/null +++ b/Mammals/Q5PXT4/top.pdb @@ -0,0 +1,43 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 246.435 251.872 279.648 1.00 0.00 C +ATOM 2 CA ALA A 2 242.930 253.356 279.491 1.00 0.00 C +ATOM 3 CA MET A 3 240.381 253.966 276.725 1.00 0.00 C +ATOM 4 CA GLY A 4 240.890 254.996 273.092 1.00 0.00 C +ATOM 5 CA SER A 5 240.423 254.024 269.438 1.00 0.00 C +ATOM 6 CA GLY A 6 238.847 250.641 268.670 1.00 0.00 C +ATOM 7 CA GLY A 7 235.295 250.114 269.943 1.00 0.00 C +ATOM 8 CA ALA A 8 233.241 247.754 267.769 1.00 0.00 C +ATOM 9 CA GLY A 9 230.386 245.320 268.429 1.00 0.00 C +ATOM 10 CA SER A 10 226.956 244.514 266.979 1.00 0.00 C +ATOM 11 CA GLU A 11 224.671 246.032 264.334 1.00 0.00 C +ATOM 12 CA GLN A 12 225.150 248.808 261.769 1.00 0.00 C +ATOM 13 CA GLU A 13 226.897 249.064 258.393 1.00 0.00 C +ATOM 14 CA ASP A 14 228.131 252.002 256.305 1.00 0.00 C +ATOM 15 CA THR A 15 231.303 253.135 254.523 1.00 0.00 C +ATOM 16 CA VAL A 16 232.640 251.290 251.469 1.00 0.00 C +ATOM 17 CA LEU A 17 234.141 251.949 248.030 1.00 0.00 C +ATOM 18 CA PHE A 18 236.886 250.658 245.724 1.00 0.00 C +ATOM 19 CA ARG A 19 239.813 249.552 243.550 1.00 0.00 C +ATOM 20 CA ARG A 20 242.516 250.398 241.002 1.00 0.00 C +ATOM 21 CA GLY A 21 245.617 248.304 240.282 1.00 0.00 C +ATOM 22 CA THR A 22 248.277 245.577 240.348 1.00 0.00 C +ATOM 23 CA GLY A 23 251.016 245.578 237.699 1.00 0.00 C +ATOM 24 CA GLN A 24 252.845 248.479 236.039 1.00 0.00 C +ATOM 25 CA GLY A 25 255.138 251.444 236.722 1.00 0.00 C +ATOM 26 CA PHE A 26 256.950 254.771 237.128 1.00 0.00 C +ATOM 27 CA ARG A 27 260.571 254.341 236.024 1.00 0.00 C +ATOM 28 CA GLN A 28 262.862 256.901 237.671 1.00 0.00 C +ATOM 29 CA ASN A 29 264.161 256.917 241.253 1.00 0.00 C +ATOM 30 CA LYS A 30 267.367 254.924 241.769 1.00 0.00 C +ATOM 31 CA LYS A 31 268.063 251.703 239.856 1.00 0.00 C +ATOM 32 CA GLU A 32 268.026 248.667 237.554 1.00 0.00 C +ATOM 33 CA GLY A 33 269.971 245.693 236.180 1.00 0.00 C +ATOM 34 CA LYS A 34 273.609 246.432 237.035 1.00 0.00 C +ATOM 35 CA CYS A 35 275.766 246.817 233.918 1.00 0.00 C +ATOM 36 CA SER A 36 279.362 246.173 232.837 1.00 0.00 C +ATOM 37 CA HIS A 37 282.398 248.415 233.361 1.00 0.00 C +ATOM 38 CA THR A 38 285.419 246.094 233.271 1.00 0.00 C +ATOM 39 CA ASN A 39 284.651 243.325 235.772 1.00 0.00 C +TER 40 ASN A 39 +END diff --git a/Mammals/Q5PXT5/Q5PXT5.dcd b/Mammals/Q5PXT5/Q5PXT5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..1af75b5c50fce3c3f2c198b5cb5e86862df56fb7 --- /dev/null +++ b/Mammals/Q5PXT5/Q5PXT5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:beb1379ee321e7b90e238a699ddccc32bc9530fe3d22a8ed4ce2bd56f934c14a +size 4880276 diff --git a/Mammals/Q5PXT5/top.pdb b/Mammals/Q5PXT5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ebbdae29a8990e3d727a29d2fa55203a6319619c --- /dev/null +++ b/Mammals/Q5PXT5/top.pdb @@ -0,0 +1,38 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 227.565 228.551 246.888 1.00 0.00 C +ATOM 2 CA ALA A 2 228.461 231.472 244.611 1.00 0.00 C +ATOM 3 CA MET A 3 229.318 235.145 244.072 1.00 0.00 C +ATOM 4 CA GLY A 4 232.524 236.855 245.217 1.00 0.00 C +ATOM 5 CA SER A 5 235.992 238.407 244.930 1.00 0.00 C +ATOM 6 CA GLY A 6 239.582 239.055 246.029 1.00 0.00 C +ATOM 7 CA GLY A 7 242.287 239.589 248.657 1.00 0.00 C +ATOM 8 CA ALA A 8 243.322 237.888 251.905 1.00 0.00 C +ATOM 9 CA GLY A 9 245.236 234.609 251.585 1.00 0.00 C +ATOM 10 CA SER A 10 247.600 232.255 249.745 1.00 0.00 C +ATOM 11 CA GLU A 11 251.198 233.490 249.531 1.00 0.00 C +ATOM 12 CA GLN A 12 251.275 237.292 249.292 1.00 0.00 C +ATOM 13 CA GLU A 13 251.370 240.566 251.238 1.00 0.00 C +ATOM 14 CA ASP A 14 253.765 241.335 254.099 1.00 0.00 C +ATOM 15 CA THR A 15 256.992 242.705 252.606 1.00 0.00 C +ATOM 16 CA VAL A 16 257.759 245.774 254.729 1.00 0.00 C +ATOM 17 CA LEU A 17 261.024 247.608 255.427 1.00 0.00 C +ATOM 18 CA PHE A 18 261.490 250.881 257.320 1.00 0.00 C +ATOM 19 CA ARG A 19 263.774 253.914 257.643 1.00 0.00 C +ATOM 20 CA ARG A 20 266.960 255.703 256.566 1.00 0.00 C +ATOM 21 CA ARG A 21 267.994 254.556 253.083 1.00 0.00 C +ATOM 22 CA GLN A 22 265.206 255.160 250.558 1.00 0.00 C +ATOM 23 CA GLU A 23 262.860 257.488 248.662 1.00 0.00 C +ATOM 24 CA GLN A 24 259.318 258.555 247.749 1.00 0.00 C +ATOM 25 CA THR A 25 259.265 261.702 245.602 1.00 0.00 C +ATOM 26 CA SER A 26 256.011 263.638 245.183 1.00 0.00 C +ATOM 27 CA PRO A 27 254.622 266.632 243.279 1.00 0.00 C +ATOM 28 CA ARG A 28 254.271 270.095 244.829 1.00 0.00 C +ATOM 29 CA HIS A 29 252.058 271.784 247.429 1.00 0.00 C +ATOM 30 CA GLN A 30 249.663 271.788 250.393 1.00 0.00 C +ATOM 31 CA TRP A 31 247.084 269.099 251.187 1.00 0.00 C +ATOM 32 CA THR A 32 243.959 266.980 251.695 1.00 0.00 C +ATOM 33 CA LEU A 33 241.428 266.052 254.388 1.00 0.00 C +ATOM 34 CA GLY A 34 238.765 263.376 253.873 1.00 0.00 C +TER 35 GLY A 34 +END diff --git a/Mammals/Q5R586/Q5R586.dcd b/Mammals/Q5R586/Q5R586.dcd new file mode 100644 index 0000000000000000000000000000000000000000..5e823ac44d346c7f5627f793a96474fb9c8f55ed --- /dev/null +++ b/Mammals/Q5R586/Q5R586.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c23b5e73860d75a4d67745a9984288977fd007ee8f167c7ef940e7b7b9142f4e +size 12080276 diff --git a/Mammals/Q5R586/top.pdb b/Mammals/Q5R586/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..fe474e09f11ec0fb445c9247f1e7a77be8952bdb --- /dev/null +++ b/Mammals/Q5R586/top.pdb @@ -0,0 +1,98 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 232.887 296.346 227.607 1.00 0.00 C +ATOM 2 CA GLN A 2 233.407 299.498 229.684 1.00 0.00 C +ATOM 3 CA PRO A 3 233.887 300.177 233.402 1.00 0.00 C +ATOM 4 CA GLY A 4 232.441 301.772 236.545 1.00 0.00 C +ATOM 5 CA GLY A 5 232.988 300.642 240.142 1.00 0.00 C +ATOM 6 CA THR A 6 234.545 300.194 243.590 1.00 0.00 C +ATOM 7 CA LYS A 7 234.306 297.196 245.929 1.00 0.00 C +ATOM 8 CA TYR A 8 233.575 294.654 248.671 1.00 0.00 C +ATOM 9 CA SER A 9 232.770 291.707 250.947 1.00 0.00 C +ATOM 10 CA LEU A 10 234.114 288.157 251.280 1.00 0.00 C +ATOM 11 CA ILE A 11 236.966 286.339 249.527 1.00 0.00 C +ATOM 12 CA PRO A 12 237.610 283.064 251.365 1.00 0.00 C +ATOM 13 CA ASP A 13 239.775 280.451 253.096 1.00 0.00 C +ATOM 14 CA GLU A 14 243.186 279.859 251.505 1.00 0.00 C +ATOM 15 CA GLU A 15 244.059 278.339 248.122 1.00 0.00 C +ATOM 16 CA GLU A 16 247.347 280.013 247.172 1.00 0.00 C +ATOM 17 CA GLU A 17 250.861 278.823 246.304 1.00 0.00 C +ATOM 18 CA LYS A 18 254.586 278.063 246.054 1.00 0.00 C +ATOM 19 CA GLU A 19 255.810 274.990 247.944 1.00 0.00 C +ATOM 20 CA GLU A 20 257.847 272.600 245.786 1.00 0.00 C +ATOM 21 CA ALA A 21 260.585 270.003 245.262 1.00 0.00 C +ATOM 22 CA LYS A 22 264.075 268.677 246.023 1.00 0.00 C +ATOM 23 CA SER A 23 267.355 269.412 244.230 1.00 0.00 C +ATOM 24 CA ALA A 24 267.632 272.430 241.921 1.00 0.00 C +ATOM 25 CA GLU A 25 264.836 275.017 241.823 1.00 0.00 C +ATOM 26 CA PHE A 26 264.415 278.758 241.241 1.00 0.00 C +ATOM 27 CA GLU A 27 261.496 281.201 241.405 1.00 0.00 C +ATOM 28 CA LYS A 28 258.091 279.555 240.940 1.00 0.00 C +ATOM 29 CA PRO A 29 256.370 278.550 237.693 1.00 0.00 C +ATOM 30 CA ASP A 30 256.696 276.852 234.298 1.00 0.00 C +ATOM 31 CA PRO A 31 256.170 273.101 233.884 1.00 0.00 C +ATOM 32 CA THR A 32 254.449 269.766 234.538 1.00 0.00 C +ATOM 33 CA ARG A 33 254.736 266.568 232.488 1.00 0.00 C +ATOM 34 CA ASN A 34 252.414 264.413 230.371 1.00 0.00 C +ATOM 35 CA PRO A 35 252.201 261.090 228.519 1.00 0.00 C +ATOM 36 CA SER A 36 250.430 261.446 225.164 1.00 0.00 C +ATOM 37 CA ARG A 37 247.145 262.212 223.392 1.00 0.00 C +ATOM 38 CA LYS A 38 243.387 262.023 222.797 1.00 0.00 C +ATOM 39 CA ARG A 39 242.313 264.670 220.275 1.00 0.00 C +ATOM 40 CA LYS A 40 239.359 264.224 217.911 1.00 0.00 C +ATOM 41 CA LYS A 41 237.589 260.982 218.845 1.00 0.00 C +ATOM 42 CA GLU A 42 234.591 261.922 221.000 1.00 0.00 C +ATOM 43 CA LYS A 43 234.976 262.833 224.679 1.00 0.00 C +ATOM 44 CA LYS A 44 233.563 261.393 227.911 1.00 0.00 C +ATOM 45 CA LYS A 45 236.110 260.777 230.677 1.00 0.00 C +ATOM 46 CA LYS A 46 237.644 262.501 233.709 1.00 0.00 C +ATOM 47 CA LYS A 47 240.112 260.491 235.803 1.00 0.00 C +ATOM 48 CA HIS A 48 243.543 261.378 237.205 1.00 0.00 C +ATOM 49 CA ARG A 49 246.738 260.036 238.787 1.00 0.00 C +ATOM 50 CA ASP A 50 249.375 258.937 241.307 1.00 0.00 C +ATOM 51 CA ARG A 51 252.965 260.059 240.694 1.00 0.00 C +ATOM 52 CA LYS A 52 256.610 259.509 241.658 1.00 0.00 C +ATOM 53 CA SER A 53 258.151 256.026 241.741 1.00 0.00 C +ATOM 54 CA SER A 54 259.332 252.514 242.626 1.00 0.00 C +ATOM 55 CA ASP A 55 256.982 249.517 242.506 1.00 0.00 C +ATOM 56 CA SER A 56 258.220 245.916 242.625 1.00 0.00 C +ATOM 57 CA ASP A 57 259.104 243.973 245.781 1.00 0.00 C +ATOM 58 CA SER A 58 262.279 242.352 247.126 1.00 0.00 C +ATOM 59 CA SER A 59 263.763 240.116 249.831 1.00 0.00 C +ATOM 60 CA ASP A 60 263.873 236.987 252.002 1.00 0.00 C +ATOM 61 CA SER A 61 262.366 233.501 252.316 1.00 0.00 C +ATOM 62 CA GLU A 62 263.741 230.173 253.560 1.00 0.00 C +ATOM 63 CA SER A 63 264.500 230.366 257.289 1.00 0.00 C +ATOM 64 CA ASP A 64 266.799 229.736 260.262 1.00 0.00 C +ATOM 65 CA THR A 65 267.841 226.086 259.942 1.00 0.00 C +ATOM 66 CA GLY A 66 266.860 223.326 257.506 1.00 0.00 C +ATOM 67 CA LYS A 67 266.799 223.210 253.698 1.00 0.00 C +ATOM 68 CA ARG A 68 265.127 219.932 252.710 1.00 0.00 C +ATOM 69 CA ALA A 69 263.518 216.490 252.424 1.00 0.00 C +ATOM 70 CA ARG A 70 262.913 213.174 254.201 1.00 0.00 C +ATOM 71 CA HIS A 71 261.193 212.201 257.458 1.00 0.00 C +ATOM 72 CA THR A 72 258.209 213.319 259.547 1.00 0.00 C +ATOM 73 CA SER A 73 257.412 215.514 262.557 1.00 0.00 C +ATOM 74 CA LYS A 74 254.623 214.434 264.918 1.00 0.00 C +ATOM 75 CA ASP A 75 254.525 214.947 268.692 1.00 0.00 C +ATOM 76 CA SER A 76 252.602 212.164 270.445 1.00 0.00 C +ATOM 77 CA LYS A 77 249.266 210.403 270.985 1.00 0.00 C +ATOM 78 CA ALA A 78 246.153 209.022 272.692 1.00 0.00 C +ATOM 79 CA ALA A 79 245.541 211.263 275.711 1.00 0.00 C +ATOM 80 CA LYS A 80 242.996 213.436 277.533 1.00 0.00 C +ATOM 81 CA LYS A 81 242.704 212.094 281.087 1.00 0.00 C +ATOM 82 CA LYS A 82 245.741 210.479 282.726 1.00 0.00 C +ATOM 83 CA LYS A 83 249.152 210.476 281.030 1.00 0.00 C +ATOM 84 CA LYS A 84 251.267 207.315 281.253 1.00 0.00 C +ATOM 85 CA LYS A 85 253.915 204.634 280.688 1.00 0.00 C +ATOM 86 CA LYS A 86 253.631 201.280 278.903 1.00 0.00 C +ATOM 87 CA LYS A 87 250.326 200.930 277.039 1.00 0.00 C +ATOM 88 CA HIS A 88 247.613 202.880 278.870 1.00 0.00 C +ATOM 89 CA LYS A 89 245.495 201.992 281.910 1.00 0.00 C +ATOM 90 CA LYS A 90 242.512 200.750 283.929 1.00 0.00 C +ATOM 91 CA LYS A 91 239.473 200.150 281.711 1.00 0.00 C +ATOM 92 CA HIS A 92 237.065 203.031 282.358 1.00 0.00 C +ATOM 93 CA LYS A 93 234.342 204.727 280.303 1.00 0.00 C +ATOM 94 CA GLU A 94 231.140 205.496 278.386 1.00 0.00 C +TER 95 GLU A 94 +END diff --git a/Mammals/Q5R5B3/Q5R5B3.dcd b/Mammals/Q5R5B3/Q5R5B3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a8e5d3092d6def3a9f4e820a4e19829530c58194 --- /dev/null +++ b/Mammals/Q5R5B3/Q5R5B3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e7463d63c69df3fc88b46ca98279d4930c8b09350b0df965d0603b688da08a70 +size 5720276 diff --git a/Mammals/Q5R5B3/top.pdb b/Mammals/Q5R5B3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..6c2c43c8da03809f736d542dd7234df82e7c8a94 --- /dev/null +++ b/Mammals/Q5R5B3/top.pdb @@ -0,0 +1,45 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 268.781 251.850 253.884 1.00 0.00 C +ATOM 2 CA GLY A 2 267.631 252.724 250.358 1.00 0.00 C +ATOM 3 CA LYS A 3 264.071 251.835 249.331 1.00 0.00 C +ATOM 4 CA THR A 4 261.658 254.100 247.444 1.00 0.00 C +ATOM 5 CA ALA A 5 259.796 251.816 245.029 1.00 0.00 C +ATOM 6 CA ASP A 6 258.598 250.623 241.615 1.00 0.00 C +ATOM 7 CA SER A 7 254.833 251.058 241.228 1.00 0.00 C +ATOM 8 CA PRO A 8 252.332 250.409 238.429 1.00 0.00 C +ATOM 9 CA GLY A 9 253.218 252.766 235.569 1.00 0.00 C +ATOM 10 CA SER A 10 256.126 252.800 233.108 1.00 0.00 C +ATOM 11 CA GLY A 11 257.700 249.404 232.396 1.00 0.00 C +ATOM 12 CA ALA A 12 259.426 247.366 229.678 1.00 0.00 C +ATOM 13 CA ARG A 13 258.171 246.355 226.226 1.00 0.00 C +ATOM 14 CA PRO A 14 254.450 245.542 226.114 1.00 0.00 C +ATOM 15 CA ASP A 15 253.717 242.124 227.629 1.00 0.00 C +ATOM 16 CA PRO A 16 253.071 241.764 231.367 1.00 0.00 C +ATOM 17 CA VAL A 17 253.205 243.285 234.857 1.00 0.00 C +ATOM 18 CA ARG A 18 250.510 242.821 237.511 1.00 0.00 C +ATOM 19 CA SER A 19 251.234 240.078 240.055 1.00 0.00 C +ATOM 20 CA PHE A 20 250.612 240.180 243.812 1.00 0.00 C +ATOM 21 CA ASN A 21 248.227 242.344 245.848 1.00 0.00 C +ATOM 22 CA ARG A 22 250.042 244.721 248.208 1.00 0.00 C +ATOM 23 CA TRP A 23 251.322 244.863 251.794 1.00 0.00 C +ATOM 24 CA LYS A 24 251.516 247.397 254.632 1.00 0.00 C +ATOM 25 CA LYS A 25 249.407 247.474 257.805 1.00 0.00 C +ATOM 26 CA LYS A 26 247.620 250.259 259.693 1.00 0.00 C +ATOM 27 CA HIS A 27 247.517 251.807 263.173 1.00 0.00 C +ATOM 28 CA SER A 28 247.914 253.441 266.592 1.00 0.00 C +ATOM 29 CA HIS A 29 251.355 254.103 268.087 1.00 0.00 C +ATOM 30 CA ARG A 30 252.188 255.156 271.653 1.00 0.00 C +ATOM 31 CA GLN A 31 249.137 256.756 273.280 1.00 0.00 C +ATOM 32 CA ASN A 32 245.916 255.083 272.122 1.00 0.00 C +ATOM 33 CA LYS A 33 243.093 256.139 269.791 1.00 0.00 C +ATOM 34 CA LYS A 34 241.881 255.575 266.224 1.00 0.00 C +ATOM 35 CA LYS A 35 239.637 254.889 263.222 1.00 0.00 C +ATOM 36 CA GLN A 36 239.104 252.224 260.551 1.00 0.00 C +ATOM 37 CA LEU A 37 235.866 251.558 258.657 1.00 0.00 C +ATOM 38 CA ARG A 38 232.993 252.083 256.211 1.00 0.00 C +ATOM 39 CA LYS A 39 229.401 252.279 257.465 1.00 0.00 C +ATOM 40 CA GLN A 40 227.299 255.000 259.108 1.00 0.00 C +ATOM 41 CA LEU A 41 229.426 257.949 260.246 1.00 0.00 C +TER 42 LEU A 41 +END diff --git a/Mammals/Q5R5U9/Q5R5U9.dcd b/Mammals/Q5R5U9/Q5R5U9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..6eae80a6522d1704ef6e41b543f53aa441e5d3d7 --- /dev/null +++ b/Mammals/Q5R5U9/Q5R5U9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d06eedf223e15085b26e8ecb0333d40f00d5d1d8328b91e3701d541fbf542118 +size 7520276 diff --git a/Mammals/Q5R5U9/top.pdb b/Mammals/Q5R5U9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..882a1f1c5780615e55c1f9aba95aa646d0aebb30 --- /dev/null +++ b/Mammals/Q5R5U9/top.pdb @@ -0,0 +1,60 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 269.608 229.953 266.841 1.00 0.00 C +ATOM 2 CA LYS A 2 268.954 229.275 270.533 1.00 0.00 C +ATOM 3 CA THR A 3 271.559 231.044 272.677 1.00 0.00 C +ATOM 4 CA PRO A 4 272.225 234.638 273.753 1.00 0.00 C +ATOM 5 CA PHE A 5 270.149 237.140 271.767 1.00 0.00 C +ATOM 6 CA GLY A 6 268.860 240.501 270.518 1.00 0.00 C +ATOM 7 CA LYS A 7 268.158 241.857 267.027 1.00 0.00 C +ATOM 8 CA THR A 8 267.787 241.112 263.309 1.00 0.00 C +ATOM 9 CA PRO A 9 267.595 237.610 261.820 1.00 0.00 C +ATOM 10 CA GLY A 10 265.595 234.811 263.457 1.00 0.00 C +ATOM 11 CA GLN A 11 264.022 233.535 266.684 1.00 0.00 C +ATOM 12 CA ARG A 12 261.949 235.220 269.401 1.00 0.00 C +ATOM 13 CA SER A 13 263.087 237.417 272.298 1.00 0.00 C +ATOM 14 CA ARG A 14 264.010 240.665 274.063 1.00 0.00 C +ATOM 15 CA ALA A 15 262.574 244.144 273.472 1.00 0.00 C +ATOM 16 CA ASP A 16 259.121 245.756 273.475 1.00 0.00 C +ATOM 17 CA ALA A 17 257.717 247.986 276.227 1.00 0.00 C +ATOM 18 CA GLY A 18 256.720 251.507 275.167 1.00 0.00 C +ATOM 19 CA HIS A 19 254.040 251.003 272.507 1.00 0.00 C +ATOM 20 CA ALA A 20 252.187 248.568 270.237 1.00 0.00 C +ATOM 21 CA GLY A 21 248.448 248.621 269.508 1.00 0.00 C +ATOM 22 CA VAL A 22 245.050 249.424 267.984 1.00 0.00 C +ATOM 23 CA SER A 23 242.835 248.409 265.054 1.00 0.00 C +ATOM 24 CA ALA A 24 243.139 246.082 262.053 1.00 0.00 C +ATOM 25 CA ASN A 25 244.876 242.747 261.435 1.00 0.00 C +ATOM 26 CA MET A 26 247.852 243.033 259.074 1.00 0.00 C +ATOM 27 CA MET A 27 249.389 242.195 255.690 1.00 0.00 C +ATOM 28 CA LYS A 28 251.792 243.249 252.927 1.00 0.00 C +ATOM 29 CA LYS A 29 252.744 243.549 249.250 1.00 0.00 C +ATOM 30 CA ARG A 30 251.106 244.081 245.851 1.00 0.00 C +ATOM 31 CA THR A 31 248.631 246.915 245.250 1.00 0.00 C +ATOM 32 CA SER A 32 248.132 247.707 241.556 1.00 0.00 C +ATOM 33 CA HIS A 33 250.383 247.311 238.508 1.00 0.00 C +ATOM 34 CA ASN A 34 252.265 249.881 236.417 1.00 0.00 C +ATOM 35 CA ASN A 35 250.373 251.580 233.581 1.00 0.00 C +ATOM 36 CA ILE A 36 248.461 254.229 231.619 1.00 0.00 C +ATOM 37 CA SER A 37 245.089 255.251 230.170 1.00 0.00 C +ATOM 38 CA ASN A 38 243.655 255.355 226.642 1.00 0.00 C +ATOM 39 CA GLN A 39 239.846 255.360 226.718 1.00 0.00 C +ATOM 40 CA ARG A 40 237.170 252.712 226.134 1.00 0.00 C +ATOM 41 CA CYS A 41 233.402 252.448 225.637 1.00 0.00 C +ATOM 42 CA THR A 42 231.670 252.140 229.017 1.00 0.00 C +ATOM 43 CA LEU A 43 233.552 252.450 232.316 1.00 0.00 C +ATOM 44 CA GLY A 44 236.345 255.031 232.077 1.00 0.00 C +ATOM 45 CA ARG A 45 235.435 258.668 231.401 1.00 0.00 C +ATOM 46 CA HIS A 46 233.367 259.562 228.328 1.00 0.00 C +ATOM 47 CA ASN A 47 234.364 261.969 225.549 1.00 0.00 C +ATOM 48 CA ASP A 48 237.744 263.484 224.657 1.00 0.00 C +ATOM 49 CA TRP A 49 239.236 264.925 227.853 1.00 0.00 C +ATOM 50 CA GLN A 50 238.756 266.214 231.406 1.00 0.00 C +ATOM 51 CA SER A 51 238.551 269.997 231.805 1.00 0.00 C +ATOM 52 CA SER A 52 235.489 272.231 232.199 1.00 0.00 C +ATOM 53 CA GLY A 53 233.498 275.342 231.264 1.00 0.00 C +ATOM 54 CA THR A 54 233.999 278.403 229.051 1.00 0.00 C +ATOM 55 CA TYR A 55 237.619 279.405 228.410 1.00 0.00 C +ATOM 56 CA VAL A 56 239.822 276.296 228.377 1.00 0.00 C +TER 57 VAL A 56 +END diff --git a/Mammals/Q5R656/Q5R656.dcd b/Mammals/Q5R656/Q5R656.dcd new file mode 100644 index 0000000000000000000000000000000000000000..95717dc1954a19929094b03018233b68a22d2020 --- /dev/null +++ b/Mammals/Q5R656/Q5R656.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:facf559d155b7430a5f6911bc6107d7ad94581b52355bee0b83997c4213e2737 +size 5600276 diff --git a/Mammals/Q5R656/top.pdb b/Mammals/Q5R656/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ee538dc7763c1c6c797eb67375fb8b5748f2f1f8 --- /dev/null +++ b/Mammals/Q5R656/top.pdb @@ -0,0 +1,44 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 229.510 244.060 253.282 1.00 0.00 C +ATOM 2 CA LYS A 2 233.093 242.801 252.976 1.00 0.00 C +ATOM 3 CA LEU A 3 236.406 244.185 251.702 1.00 0.00 C +ATOM 4 CA SER A 4 237.332 247.870 251.412 1.00 0.00 C +ATOM 5 CA LEU A 5 236.623 251.612 251.522 1.00 0.00 C +ATOM 6 CA GLY A 6 236.536 254.802 249.442 1.00 0.00 C +ATOM 7 CA GLY A 7 234.470 254.517 246.254 1.00 0.00 C +ATOM 8 CA SER A 8 233.214 256.220 243.085 1.00 0.00 C +ATOM 9 CA GLU A 9 235.110 255.013 240.008 1.00 0.00 C +ATOM 10 CA MET A 10 237.605 257.208 238.145 1.00 0.00 C +ATOM 11 CA GLY A 11 239.789 259.675 240.058 1.00 0.00 C +ATOM 12 CA LEU A 12 240.871 261.585 243.172 1.00 0.00 C +ATOM 13 CA SER A 13 241.694 261.252 246.877 1.00 0.00 C +ATOM 14 CA SER A 14 242.019 257.509 247.512 1.00 0.00 C +ATOM 15 CA HIS A 15 242.314 253.734 247.935 1.00 0.00 C +ATOM 16 CA LEU A 16 244.538 251.314 249.862 1.00 0.00 C +ATOM 17 CA GLN A 17 245.770 248.307 251.851 1.00 0.00 C +ATOM 18 CA SER A 18 246.326 245.070 253.782 1.00 0.00 C +ATOM 19 CA SER A 19 248.361 243.873 256.773 1.00 0.00 C +ATOM 20 CA LYS A 20 249.799 240.424 257.519 1.00 0.00 C +ATOM 21 CA ALA A 21 252.047 239.706 260.511 1.00 0.00 C +ATOM 22 CA GLY A 22 254.975 242.144 260.526 1.00 0.00 C +ATOM 23 CA PRO A 23 257.604 244.364 258.891 1.00 0.00 C +ATOM 24 CA THR A 24 261.383 243.928 259.116 1.00 0.00 C +ATOM 25 CA ARG A 25 265.017 244.206 258.007 1.00 0.00 C +ATOM 26 CA ILE A 26 265.719 245.747 254.594 1.00 0.00 C +ATOM 27 CA PHE A 27 268.746 247.988 254.018 1.00 0.00 C +ATOM 28 CA THR A 28 270.474 249.354 250.910 1.00 0.00 C +ATOM 29 CA SER A 29 270.676 249.659 247.117 1.00 0.00 C +ATOM 30 CA ASN A 30 268.135 252.274 246.012 1.00 0.00 C +ATOM 31 CA THR A 31 267.233 253.517 242.526 1.00 0.00 C +ATOM 32 CA HIS A 32 264.567 251.144 241.192 1.00 0.00 C +ATOM 33 CA SER A 33 261.052 249.786 241.753 1.00 0.00 C +ATOM 34 CA SER A 34 257.355 249.328 242.550 1.00 0.00 C +ATOM 35 CA VAL A 35 254.461 251.726 243.179 1.00 0.00 C +ATOM 36 CA VAL A 36 253.606 251.736 246.892 1.00 0.00 C +ATOM 37 CA LEU A 37 254.323 249.594 249.960 1.00 0.00 C +ATOM 38 CA GLN A 38 252.512 250.317 253.234 1.00 0.00 C +ATOM 39 CA GLY A 39 254.020 252.081 256.255 1.00 0.00 C +ATOM 40 CA LEU A 40 254.714 250.369 259.588 1.00 0.00 C +TER 41 LEU A 40 +END diff --git a/Mammals/Q5R6E2/Q5R6E2.dcd b/Mammals/Q5R6E2/Q5R6E2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..ad919f2521156151bd8b9aba8d5b2e7b40a4169d --- /dev/null +++ b/Mammals/Q5R6E2/Q5R6E2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:77cc103d3c627c9f5ae1dc1fb308cd19edb1419d8c955f21a7bf24db5973a777 +size 10640276 diff --git a/Mammals/Q5R6E2/top.pdb b/Mammals/Q5R6E2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..87898168ed751370329596160dac11aa8397b083 --- /dev/null +++ b/Mammals/Q5R6E2/top.pdb @@ -0,0 +1,86 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 239.442 206.036 310.585 1.00 0.00 C +ATOM 2 CA SER A 2 240.616 207.780 307.408 1.00 0.00 C +ATOM 3 CA ASP A 3 238.447 209.952 305.151 1.00 0.00 C +ATOM 4 CA ALA A 4 237.017 213.483 305.074 1.00 0.00 C +ATOM 5 CA GLY A 5 238.624 216.312 303.092 1.00 0.00 C +ATOM 6 CA GLY A 6 237.858 218.318 299.945 1.00 0.00 C +ATOM 7 CA GLY A 7 237.606 216.199 296.789 1.00 0.00 C +ATOM 8 CA LYS A 8 233.934 216.092 295.779 1.00 0.00 C +ATOM 9 CA LYS A 9 233.801 216.014 291.973 1.00 0.00 C +ATOM 10 CA PRO A 10 232.488 218.561 289.462 1.00 0.00 C +ATOM 11 CA PRO A 11 231.888 220.893 286.509 1.00 0.00 C +ATOM 12 CA VAL A 12 229.075 222.447 284.462 1.00 0.00 C +ATOM 13 CA ASP A 13 227.165 220.749 281.637 1.00 0.00 C +ATOM 14 CA PRO A 14 225.434 220.994 278.252 1.00 0.00 C +ATOM 15 CA GLN A 15 226.221 223.035 275.132 1.00 0.00 C +ATOM 16 CA ALA A 16 227.225 226.630 274.370 1.00 0.00 C +ATOM 17 CA GLY A 17 225.963 229.683 272.473 1.00 0.00 C +ATOM 18 CA PRO A 18 225.387 231.964 269.476 1.00 0.00 C +ATOM 19 CA GLY A 19 227.661 232.143 266.424 1.00 0.00 C +ATOM 20 CA PRO A 20 230.458 229.618 265.864 1.00 0.00 C +ATOM 21 CA GLY A 21 233.131 228.402 263.437 1.00 0.00 C +ATOM 22 CA PRO A 22 233.738 225.019 261.793 1.00 0.00 C +ATOM 23 CA GLY A 23 231.371 224.057 258.967 1.00 0.00 C +ATOM 24 CA ARG A 24 229.600 223.510 255.638 1.00 0.00 C +ATOM 25 CA ALA A 25 228.069 226.524 253.881 1.00 0.00 C +ATOM 26 CA ALA A 26 229.235 230.141 253.616 1.00 0.00 C +ATOM 27 CA GLY A 27 228.230 232.204 250.575 1.00 0.00 C +ATOM 28 CA GLU A 28 227.664 235.715 251.944 1.00 0.00 C +ATOM 29 CA ARG A 29 228.936 239.165 250.946 1.00 0.00 C +ATOM 30 CA GLY A 30 231.533 240.611 248.563 1.00 0.00 C +ATOM 31 CA LEU A 31 234.616 238.374 248.641 1.00 0.00 C +ATOM 32 CA SER A 32 238.148 238.419 247.212 1.00 0.00 C +ATOM 33 CA GLY A 33 239.663 241.401 245.388 1.00 0.00 C +ATOM 34 CA SER A 34 241.798 240.927 242.268 1.00 0.00 C +ATOM 35 CA PHE A 35 241.843 241.816 238.563 1.00 0.00 C +ATOM 36 CA PRO A 36 242.678 245.498 238.052 1.00 0.00 C +ATOM 37 CA LEU A 37 245.270 248.102 239.059 1.00 0.00 C +ATOM 38 CA VAL A 38 247.105 250.595 236.838 1.00 0.00 C +ATOM 39 CA LEU A 39 247.689 254.134 235.554 1.00 0.00 C +ATOM 40 CA LYS A 40 250.773 255.482 233.769 1.00 0.00 C +ATOM 41 CA LYS A 41 254.317 256.194 232.564 1.00 0.00 C +ATOM 42 CA LEU A 42 255.713 256.729 229.060 1.00 0.00 C +ATOM 43 CA MET A 43 255.860 260.357 227.905 1.00 0.00 C +ATOM 44 CA GLU A 44 258.030 263.378 227.084 1.00 0.00 C +ATOM 45 CA ASN A 45 257.745 266.006 224.340 1.00 0.00 C +ATOM 46 CA PRO A 46 257.818 268.901 221.864 1.00 0.00 C +ATOM 47 CA PRO A 47 259.438 271.781 223.761 1.00 0.00 C +ATOM 48 CA ARG A 48 262.571 273.807 224.533 1.00 0.00 C +ATOM 49 CA GLU A 49 264.471 276.957 223.541 1.00 0.00 C +ATOM 50 CA ALA A 50 265.727 280.280 222.165 1.00 0.00 C +ATOM 51 CA ARG A 51 266.715 283.015 224.627 1.00 0.00 C +ATOM 52 CA LEU A 52 264.993 283.445 227.999 1.00 0.00 C +ATOM 53 CA ASP A 53 262.417 281.460 229.984 1.00 0.00 C +ATOM 54 CA LYS A 54 262.698 278.815 232.711 1.00 0.00 C +ATOM 55 CA GLU A 55 265.920 277.563 234.314 1.00 0.00 C +ATOM 56 CA LYS A 56 267.549 277.278 237.747 1.00 0.00 C +ATOM 57 CA GLY A 57 270.052 276.946 240.599 1.00 0.00 C +ATOM 58 CA LYS A 58 273.421 278.309 241.744 1.00 0.00 C +ATOM 59 CA GLU A 59 276.065 277.045 239.309 1.00 0.00 C +ATOM 60 CA LYS A 60 275.885 275.359 235.897 1.00 0.00 C +ATOM 61 CA LEU A 61 279.410 274.607 234.663 1.00 0.00 C +ATOM 62 CA GLU A 62 282.027 273.879 237.335 1.00 0.00 C +ATOM 63 CA GLU A 63 280.707 271.112 239.597 1.00 0.00 C +ATOM 64 CA ASP A 64 278.263 268.769 237.851 1.00 0.00 C +ATOM 65 CA GLU A 65 275.954 266.579 235.755 1.00 0.00 C +ATOM 66 CA ALA A 66 274.055 268.968 233.474 1.00 0.00 C +ATOM 67 CA ALA A 67 270.386 268.484 232.567 1.00 0.00 C +ATOM 68 CA ALA A 68 269.228 266.671 229.423 1.00 0.00 C +ATOM 69 CA ALA A 69 267.356 263.354 229.496 1.00 0.00 C +ATOM 70 CA SER A 70 263.982 261.776 230.301 1.00 0.00 C +ATOM 71 CA THR A 71 260.948 261.865 232.603 1.00 0.00 C +ATOM 72 CA MET A 72 259.616 258.819 234.464 1.00 0.00 C +ATOM 73 CA ALA A 73 260.347 259.216 238.182 1.00 0.00 C +ATOM 74 CA VAL A 74 261.202 262.112 240.505 1.00 0.00 C +ATOM 75 CA SER A 75 260.062 265.097 242.581 1.00 0.00 C +ATOM 76 CA ALA A 76 259.476 268.518 241.009 1.00 0.00 C +ATOM 77 CA SER A 77 259.767 272.316 240.968 1.00 0.00 C +ATOM 78 CA LEU A 78 259.740 273.360 237.304 1.00 0.00 C +ATOM 79 CA MET A 79 257.063 271.332 235.506 1.00 0.00 C +ATOM 80 CA PRO A 80 258.123 267.765 234.687 1.00 0.00 C +ATOM 81 CA PRO A 81 255.169 266.142 232.910 1.00 0.00 C +ATOM 82 CA ILE A 82 252.317 268.637 232.511 1.00 0.00 C +TER 83 ILE A 82 +END diff --git a/Mammals/Q5R6X9/Q5R6X9.dcd b/Mammals/Q5R6X9/Q5R6X9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..ff26c7cb3b9bb0a8782ef134fa691b7c8086cb98 --- /dev/null +++ b/Mammals/Q5R6X9/Q5R6X9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d334074a609650d6621d3e163efbb6aa228d28adfcd9f07953dfc7eee2908d75 +size 11480276 diff --git a/Mammals/Q5R6X9/top.pdb b/Mammals/Q5R6X9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..898c9bfc4cf6c990da08fe30625cba04d9a8584a --- /dev/null +++ b/Mammals/Q5R6X9/top.pdb @@ -0,0 +1,93 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 256.183 205.407 271.563 1.00 0.00 C +ATOM 2 CA SER A 2 255.189 207.685 268.675 1.00 0.00 C +ATOM 3 CA GLU A 3 251.978 209.470 269.683 1.00 0.00 C +ATOM 4 CA GLN A 4 248.465 208.153 270.349 1.00 0.00 C +ATOM 5 CA GLY A 5 245.019 209.764 270.127 1.00 0.00 C +ATOM 6 CA ASP A 6 241.304 210.541 270.456 1.00 0.00 C +ATOM 7 CA LEU A 7 240.308 213.471 268.233 1.00 0.00 C +ATOM 8 CA ASN A 8 239.363 217.141 267.845 1.00 0.00 C +ATOM 9 CA GLN A 9 236.708 218.963 269.881 1.00 0.00 C +ATOM 10 CA ALA A 10 235.006 222.220 270.888 1.00 0.00 C +ATOM 11 CA ILE A 11 235.708 225.623 269.325 1.00 0.00 C +ATOM 12 CA ALA A 12 234.821 228.813 271.211 1.00 0.00 C +ATOM 13 CA GLU A 13 235.698 232.520 271.206 1.00 0.00 C +ATOM 14 CA GLU A 14 238.057 234.805 269.275 1.00 0.00 C +ATOM 15 CA GLY A 15 237.659 236.212 265.757 1.00 0.00 C +ATOM 16 CA GLY A 16 234.221 237.601 264.881 1.00 0.00 C +ATOM 17 CA THR A 17 232.100 240.684 264.168 1.00 0.00 C +ATOM 18 CA GLU A 18 231.766 242.881 261.072 1.00 0.00 C +ATOM 19 CA GLN A 19 232.639 241.819 257.519 1.00 0.00 C +ATOM 20 CA GLU A 20 236.127 240.294 257.353 1.00 0.00 C +ATOM 21 CA THR A 21 239.546 239.826 255.738 1.00 0.00 C +ATOM 22 CA ALA A 22 242.377 238.334 253.670 1.00 0.00 C +ATOM 23 CA THR A 23 243.459 234.766 254.454 1.00 0.00 C +ATOM 24 CA PRO A 24 244.426 231.705 256.507 1.00 0.00 C +ATOM 25 CA GLU A 25 244.689 230.942 260.230 1.00 0.00 C +ATOM 26 CA ASN A 26 246.150 233.931 262.088 1.00 0.00 C +ATOM 27 CA GLY A 27 247.505 237.244 263.393 1.00 0.00 C +ATOM 28 CA ILE A 28 248.739 240.127 265.557 1.00 0.00 C +ATOM 29 CA VAL A 29 247.350 241.683 268.745 1.00 0.00 C +ATOM 30 CA LYS A 30 244.863 242.134 271.596 1.00 0.00 C +ATOM 31 CA SER A 31 241.253 240.936 271.377 1.00 0.00 C +ATOM 32 CA GLU A 32 239.365 243.035 273.936 1.00 0.00 C +ATOM 33 CA SER A 33 239.210 246.515 275.477 1.00 0.00 C +ATOM 34 CA LEU A 34 235.683 247.864 275.987 1.00 0.00 C +ATOM 35 CA ASP A 35 234.198 250.741 273.979 1.00 0.00 C +ATOM 36 CA GLU A 36 236.386 250.967 270.868 1.00 0.00 C +ATOM 37 CA GLU A 37 233.996 250.251 267.988 1.00 0.00 C +ATOM 38 CA GLU A 38 230.254 250.331 267.279 1.00 0.00 C +ATOM 39 CA LYS A 39 227.680 249.926 270.059 1.00 0.00 C +ATOM 40 CA LEU A 40 225.789 246.967 271.536 1.00 0.00 C +ATOM 41 CA GLU A 41 223.208 246.011 268.901 1.00 0.00 C +ATOM 42 CA LEU A 42 222.372 244.041 265.749 1.00 0.00 C +ATOM 43 CA GLN A 43 222.851 245.973 262.500 1.00 0.00 C +ATOM 44 CA ARG A 44 224.478 244.471 259.400 1.00 0.00 C +ATOM 45 CA ARG A 45 224.062 241.576 256.958 1.00 0.00 C +ATOM 46 CA LEU A 46 226.831 241.152 254.375 1.00 0.00 C +ATOM 47 CA GLU A 47 227.072 240.333 250.662 1.00 0.00 C +ATOM 48 CA ALA A 48 230.681 240.497 249.450 1.00 0.00 C +ATOM 49 CA GLN A 49 230.807 243.386 246.969 1.00 0.00 C +ATOM 50 CA ASN A 50 233.851 244.216 244.833 1.00 0.00 C +ATOM 51 CA GLN A 51 237.385 242.904 244.282 1.00 0.00 C +ATOM 52 CA GLU A 52 238.712 244.855 241.290 1.00 0.00 C +ATOM 53 CA ARG A 53 237.435 246.177 237.953 1.00 0.00 C +ATOM 54 CA ARG A 54 237.501 249.987 237.961 1.00 0.00 C +ATOM 55 CA LYS A 55 237.472 253.788 237.705 1.00 0.00 C +ATOM 56 CA SER A 56 236.042 256.720 235.736 1.00 0.00 C +ATOM 57 CA LYS A 57 238.896 258.682 234.147 1.00 0.00 C +ATOM 58 CA SER A 58 241.035 260.453 231.539 1.00 0.00 C +ATOM 59 CA GLY A 59 242.032 263.084 228.970 1.00 0.00 C +ATOM 60 CA ALA A 60 245.153 264.872 227.714 1.00 0.00 C +ATOM 61 CA GLY A 61 248.628 266.435 227.722 1.00 0.00 C +ATOM 62 CA LYS A 62 251.840 264.696 228.807 1.00 0.00 C +ATOM 63 CA GLY A 63 255.400 265.975 228.354 1.00 0.00 C +ATOM 64 CA LYS A 64 259.007 265.001 227.605 1.00 0.00 C +ATOM 65 CA LEU A 65 262.642 263.932 227.209 1.00 0.00 C +ATOM 66 CA THR A 66 264.373 266.666 225.198 1.00 0.00 C +ATOM 67 CA ARG A 67 266.049 267.980 222.039 1.00 0.00 C +ATOM 68 CA SER A 68 269.729 268.266 222.983 1.00 0.00 C +ATOM 69 CA LEU A 69 273.043 266.418 223.329 1.00 0.00 C +ATOM 70 CA ALA A 70 276.247 267.577 225.035 1.00 0.00 C +ATOM 71 CA VAL A 71 276.827 271.282 225.708 1.00 0.00 C +ATOM 72 CA CYS A 72 276.539 273.297 228.928 1.00 0.00 C +ATOM 73 CA GLU A 73 278.510 271.968 231.905 1.00 0.00 C +ATOM 74 CA GLU A 74 282.019 273.452 231.866 1.00 0.00 C +ATOM 75 CA SER A 75 283.651 274.542 228.600 1.00 0.00 C +ATOM 76 CA SER A 76 283.796 275.341 224.878 1.00 0.00 C +ATOM 77 CA ALA A 77 280.800 276.669 222.935 1.00 0.00 C +ATOM 78 CA ARG A 78 278.487 278.057 225.625 1.00 0.00 C +ATOM 79 CA PRO A 79 279.551 281.441 227.016 1.00 0.00 C +ATOM 80 CA GLY A 80 281.702 283.652 224.780 1.00 0.00 C +ATOM 81 CA GLY A 81 285.160 284.743 225.952 1.00 0.00 C +ATOM 82 CA GLU A 82 286.231 282.058 228.434 1.00 0.00 C +ATOM 83 CA SER A 83 285.565 282.575 232.150 1.00 0.00 C +ATOM 84 CA LEU A 84 283.385 282.867 235.261 1.00 0.00 C +ATOM 85 CA GLN A 85 282.649 279.297 236.368 1.00 0.00 C +ATOM 86 CA ASP A 86 285.944 277.404 236.653 1.00 0.00 C +ATOM 87 CA GLN A 87 288.460 276.366 239.319 1.00 0.00 C +ATOM 88 CA THR A 88 288.581 277.520 242.948 1.00 0.00 C +ATOM 89 CA LEU A 89 286.071 279.054 245.369 1.00 0.00 C +TER 90 LEU A 89 +END diff --git a/Mammals/Q5R912/Q5R912.dcd b/Mammals/Q5R912/Q5R912.dcd new file mode 100644 index 0000000000000000000000000000000000000000..943290288c996d5afcdbcd4e8d868a89fabc8034 --- /dev/null +++ b/Mammals/Q5R912/Q5R912.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f510d3902ac23c02e793e7d4be851dbedf84011801497e0a4f11ad1571b02dcf +size 8240276 diff --git a/Mammals/Q5R912/top.pdb b/Mammals/Q5R912/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b7753b97438006dcfcc4312742ca05f12c3046fc --- /dev/null +++ b/Mammals/Q5R912/top.pdb @@ -0,0 +1,66 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LEU A 1 212.920 253.087 238.436 1.00 0.00 C +ATOM 2 CA ASN A 2 214.495 249.907 237.050 1.00 0.00 C +ATOM 3 CA LYS A 3 217.303 247.852 235.499 1.00 0.00 C +ATOM 4 CA LYS A 4 218.131 245.265 232.827 1.00 0.00 C +ATOM 5 CA ASP A 5 221.891 245.072 232.243 1.00 0.00 C +ATOM 6 CA MET A 6 225.539 244.557 233.214 1.00 0.00 C +ATOM 7 CA ALA A 7 228.590 243.273 235.101 1.00 0.00 C +ATOM 8 CA PHE A 8 228.896 241.305 238.349 1.00 0.00 C +ATOM 9 CA ASP A 9 230.837 239.643 241.175 1.00 0.00 C +ATOM 10 CA ASN A 10 229.821 239.867 244.840 1.00 0.00 C +ATOM 11 CA VAL A 11 230.826 242.468 247.437 1.00 0.00 C +ATOM 12 CA ASN A 12 230.226 245.054 250.169 1.00 0.00 C +ATOM 13 CA GLU A 13 227.705 247.669 251.321 1.00 0.00 C +ATOM 14 CA ASN A 14 226.536 246.986 254.882 1.00 0.00 C +ATOM 15 CA SER A 15 228.366 247.933 258.087 1.00 0.00 C +ATOM 16 CA SER A 16 230.977 247.225 260.770 1.00 0.00 C +ATOM 17 CA PRO A 17 233.453 248.277 263.467 1.00 0.00 C +ATOM 18 CA GLU A 18 234.199 251.834 264.612 1.00 0.00 C +ATOM 19 CA LYS A 19 237.161 252.288 266.965 1.00 0.00 C +ATOM 20 CA THR A 20 238.271 251.451 270.513 1.00 0.00 C +ATOM 21 CA ASP A 21 239.683 248.668 272.699 1.00 0.00 C +ATOM 22 CA ALA A 22 237.670 247.189 275.576 1.00 0.00 C +ATOM 23 CA THR A 23 238.322 243.773 277.133 1.00 0.00 C +ATOM 24 CA SER A 24 240.162 240.476 276.621 1.00 0.00 C +ATOM 25 CA SER A 25 238.129 238.170 274.371 1.00 0.00 C +ATOM 26 CA THR A 26 239.290 238.768 270.792 1.00 0.00 C +ATOM 27 CA THR A 27 242.731 240.057 269.786 1.00 0.00 C +ATOM 28 CA SER A 28 244.026 242.546 267.208 1.00 0.00 C +ATOM 29 CA PRO A 29 243.345 245.890 265.514 1.00 0.00 C +ATOM 30 CA PRO A 30 244.920 249.354 265.317 1.00 0.00 C +ATOM 31 CA SER A 31 246.226 252.692 264.026 1.00 0.00 C +ATOM 32 CA TYR A 32 249.087 252.243 261.550 1.00 0.00 C +ATOM 33 CA ASP A 33 252.348 254.178 261.920 1.00 0.00 C +ATOM 34 CA SER A 34 255.664 253.459 263.654 1.00 0.00 C +ATOM 35 CA VAL A 35 258.633 253.301 261.271 1.00 0.00 C +ATOM 36 CA THR A 36 262.011 254.918 261.968 1.00 0.00 C +ATOM 37 CA LYS A 37 265.402 253.885 260.570 1.00 0.00 C +ATOM 38 CA PRO A 38 268.539 251.837 261.258 1.00 0.00 C +ATOM 39 CA ASP A 39 269.707 248.899 263.385 1.00 0.00 C +ATOM 40 CA LYS A 40 268.156 245.498 262.652 1.00 0.00 C +ATOM 41 CA GLU A 41 268.228 242.394 260.443 1.00 0.00 C +ATOM 42 CA LYS A 42 271.220 242.116 258.100 1.00 0.00 C +ATOM 43 CA TYR A 43 270.824 242.692 254.354 1.00 0.00 C +ATOM 44 CA GLU A 44 270.013 246.313 253.495 1.00 0.00 C +ATOM 45 CA GLN A 45 268.387 247.189 250.162 1.00 0.00 C +ATOM 46 CA ASP A 46 265.935 248.224 247.436 1.00 0.00 C +ATOM 47 CA ARG A 47 266.852 250.441 244.475 1.00 0.00 C +ATOM 48 CA THR A 48 268.133 251.735 241.129 1.00 0.00 C +ATOM 49 CA GLU A 49 271.189 252.337 238.935 1.00 0.00 C +ATOM 50 CA LYS A 50 271.959 252.826 235.236 1.00 0.00 C +ATOM 51 CA GLU A 51 273.443 253.747 231.850 1.00 0.00 C +ATOM 52 CA ASP A 52 274.747 256.508 229.572 1.00 0.00 C +ATOM 53 CA LYS A 53 272.011 256.943 226.956 1.00 0.00 C +ATOM 54 CA GLY A 54 268.527 257.728 225.631 1.00 0.00 C +ATOM 55 CA LYS A 55 265.634 260.094 226.374 1.00 0.00 C +ATOM 56 CA ASP A 56 263.689 263.330 226.884 1.00 0.00 C +ATOM 57 CA SER A 57 265.896 266.252 227.938 1.00 0.00 C +ATOM 58 CA LYS A 58 269.146 267.862 226.772 1.00 0.00 C +ATOM 59 CA GLU A 59 272.331 266.717 225.024 1.00 0.00 C +ATOM 60 CA SER A 60 274.197 263.654 223.737 1.00 0.00 C +ATOM 61 CA LYS A 61 276.842 262.032 225.948 1.00 0.00 C +ATOM 62 CA LYS A 62 280.600 262.052 225.324 1.00 0.00 C +TER 63 LYS A 62 +END diff --git a/Mammals/Q5RB03/Q5RB03.dcd b/Mammals/Q5RB03/Q5RB03.dcd new file mode 100644 index 0000000000000000000000000000000000000000..396cef92364b19e2c3c7e95a079173640022732c --- /dev/null +++ b/Mammals/Q5RB03/Q5RB03.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c8e0b409deadcf70fe539e73840d94018382eda67b0bbb7cf8dce56c01ea414b +size 16400276 diff --git a/Mammals/Q5RB03/top.pdb b/Mammals/Q5RB03/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8300836f90d318e6282c6e2070ad120c664b89bd --- /dev/null +++ b/Mammals/Q5RB03/top.pdb @@ -0,0 +1,134 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 250.620 249.037 215.039 1.00 0.00 C +ATOM 2 CA PRO A 2 253.047 246.603 213.397 1.00 0.00 C +ATOM 3 CA ASN A 3 256.322 245.536 211.768 1.00 0.00 C +ATOM 4 CA SER A 4 257.359 242.979 209.140 1.00 0.00 C +ATOM 5 CA GLU A 5 260.399 240.950 208.066 1.00 0.00 C +ATOM 6 CA ARG A 6 260.361 237.144 208.231 1.00 0.00 C +ATOM 7 CA HIS A 7 262.396 234.089 207.208 1.00 0.00 C +ATOM 8 CA GLY A 8 263.421 232.118 210.303 1.00 0.00 C +ATOM 9 CA GLY A 9 264.113 230.862 213.833 1.00 0.00 C +ATOM 10 CA LYS A 10 262.900 231.895 217.294 1.00 0.00 C +ATOM 11 CA LYS A 11 260.762 234.780 218.567 1.00 0.00 C +ATOM 12 CA ASP A 12 263.033 237.254 220.368 1.00 0.00 C +ATOM 13 CA GLY A 13 266.386 237.279 222.177 1.00 0.00 C +ATOM 14 CA SER A 14 266.350 239.679 225.135 1.00 0.00 C +ATOM 15 CA GLY A 15 269.745 240.093 226.814 1.00 0.00 C +ATOM 16 CA GLY A 16 271.591 236.829 227.488 1.00 0.00 C +ATOM 17 CA ALA A 17 271.941 236.007 231.192 1.00 0.00 C +ATOM 18 CA SER A 18 269.772 232.998 232.063 1.00 0.00 C +ATOM 19 CA GLY A 19 269.264 232.733 235.830 1.00 0.00 C +ATOM 20 CA ASN A 20 268.785 236.225 237.275 1.00 0.00 C +ATOM 21 CA LEU A 21 267.515 237.933 240.435 1.00 0.00 C +ATOM 22 CA GLN A 22 266.329 236.152 243.588 1.00 0.00 C +ATOM 23 CA PRO A 23 265.302 234.468 246.847 1.00 0.00 C +ATOM 24 CA SER A 24 265.266 232.435 250.069 1.00 0.00 C +ATOM 25 CA SER A 25 266.299 229.498 252.265 1.00 0.00 C +ATOM 26 CA GLY A 26 269.453 229.388 254.400 1.00 0.00 C +ATOM 27 CA GLY A 27 272.673 229.955 256.357 1.00 0.00 C +ATOM 28 CA GLY A 28 275.062 230.844 259.189 1.00 0.00 C +ATOM 29 CA SER A 29 275.751 231.852 262.798 1.00 0.00 C +ATOM 30 CA SER A 30 272.714 232.171 265.075 1.00 0.00 C +ATOM 31 CA ASN A 31 269.057 232.388 264.027 1.00 0.00 C +ATOM 32 CA SER A 32 268.446 234.255 260.762 1.00 0.00 C +ATOM 33 CA LYS A 33 267.013 237.611 261.856 1.00 0.00 C +ATOM 34 CA GLU A 34 264.030 239.840 262.662 1.00 0.00 C +ATOM 35 CA ARG A 35 264.028 240.146 266.460 1.00 0.00 C +ATOM 36 CA HIS A 36 262.174 237.230 268.065 1.00 0.00 C +ATOM 37 CA ARG A 37 259.918 234.870 266.101 1.00 0.00 C +ATOM 38 CA LEU A 38 257.605 231.948 265.308 1.00 0.00 C +ATOM 39 CA VAL A 39 253.847 231.326 265.369 1.00 0.00 C +ATOM 40 CA SER A 40 250.476 232.895 264.539 1.00 0.00 C +ATOM 41 CA LYS A 41 247.896 235.164 266.187 1.00 0.00 C +ATOM 42 CA HIS A 42 245.400 234.289 268.930 1.00 0.00 C +ATOM 43 CA LYS A 43 244.057 236.879 271.380 1.00 0.00 C +ATOM 44 CA ARG A 44 245.414 237.020 274.938 1.00 0.00 C +ATOM 45 CA HIS A 45 246.158 236.219 278.588 1.00 0.00 C +ATOM 46 CA LYS A 46 249.086 235.512 280.921 1.00 0.00 C +ATOM 47 CA SER A 47 252.697 236.455 280.155 1.00 0.00 C +ATOM 48 CA LYS A 48 252.758 239.867 278.460 1.00 0.00 C +ATOM 49 CA HIS A 49 251.662 241.214 275.069 1.00 0.00 C +ATOM 50 CA SER A 50 251.137 243.868 272.387 1.00 0.00 C +ATOM 51 CA LYS A 51 249.917 243.767 268.778 1.00 0.00 C +ATOM 52 CA ASP A 52 247.792 243.832 265.617 1.00 0.00 C +ATOM 53 CA MET A 53 246.003 242.945 262.372 1.00 0.00 C +ATOM 54 CA GLY A 54 246.655 244.087 258.796 1.00 0.00 C +ATOM 55 CA LEU A 55 245.645 244.364 255.132 1.00 0.00 C +ATOM 56 CA VAL A 56 244.560 245.687 251.728 1.00 0.00 C +ATOM 57 CA THR A 57 246.175 246.557 248.389 1.00 0.00 C +ATOM 58 CA PRO A 58 248.498 244.833 245.911 1.00 0.00 C +ATOM 59 CA GLU A 59 251.371 244.521 243.427 1.00 0.00 C +ATOM 60 CA ALA A 60 253.558 243.694 240.419 1.00 0.00 C +ATOM 61 CA ALA A 61 254.293 246.849 238.413 1.00 0.00 C +ATOM 62 CA SER A 62 257.998 247.623 238.848 1.00 0.00 C +ATOM 63 CA LEU A 63 261.507 248.146 237.456 1.00 0.00 C +ATOM 64 CA GLY A 64 264.945 246.604 236.897 1.00 0.00 C +ATOM 65 CA THR A 65 267.359 245.183 234.314 1.00 0.00 C +ATOM 66 CA VAL A 66 267.103 247.600 231.381 1.00 0.00 C +ATOM 67 CA ILE A 67 265.489 250.970 232.124 1.00 0.00 C +ATOM 68 CA LYS A 68 262.882 253.649 232.861 1.00 0.00 C +ATOM 69 CA PRO A 69 261.328 256.264 235.155 1.00 0.00 C +ATOM 70 CA LEU A 70 261.764 258.263 238.369 1.00 0.00 C +ATOM 71 CA VAL A 71 258.585 260.215 239.144 1.00 0.00 C +ATOM 72 CA GLU A 72 257.408 263.818 238.761 1.00 0.00 C +ATOM 73 CA TYR A 73 255.463 265.246 235.812 1.00 0.00 C +ATOM 74 CA ASP A 74 256.734 266.560 232.469 1.00 0.00 C +ATOM 75 CA ASP A 75 255.391 264.618 229.479 1.00 0.00 C +ATOM 76 CA ILE A 76 253.769 261.207 228.976 1.00 0.00 C +ATOM 77 CA SER A 77 253.737 257.406 229.236 1.00 0.00 C +ATOM 78 CA SER A 78 253.731 254.219 231.323 1.00 0.00 C +ATOM 79 CA ASP A 79 255.123 254.506 234.857 1.00 0.00 C +ATOM 80 CA SER A 80 255.553 253.445 238.491 1.00 0.00 C +ATOM 81 CA ASP A 81 253.465 253.125 241.661 1.00 0.00 C +ATOM 82 CA THR A 82 255.433 253.968 244.813 1.00 0.00 C +ATOM 83 CA PHE A 83 253.872 256.800 246.828 1.00 0.00 C +ATOM 84 CA SER A 84 251.853 259.795 245.614 1.00 0.00 C +ATOM 85 CA ASP A 85 249.755 260.379 242.488 1.00 0.00 C +ATOM 86 CA ASP A 86 247.348 259.870 239.579 1.00 0.00 C +ATOM 87 CA MET A 87 248.431 262.261 236.817 1.00 0.00 C +ATOM 88 CA ALA A 88 247.016 265.667 235.863 1.00 0.00 C +ATOM 89 CA PHE A 89 245.655 267.161 239.093 1.00 0.00 C +ATOM 90 CA LYS A 90 243.063 268.330 241.629 1.00 0.00 C +ATOM 91 CA LEU A 91 244.690 270.945 243.872 1.00 0.00 C +ATOM 92 CA ASP A 92 247.039 273.424 245.562 1.00 0.00 C +ATOM 93 CA ARG A 93 249.093 272.878 248.723 1.00 0.00 C +ATOM 94 CA ARG A 94 249.202 270.798 251.913 1.00 0.00 C +ATOM 95 CA GLU A 95 245.566 270.581 253.032 1.00 0.00 C +ATOM 96 CA ASN A 96 243.322 268.123 251.177 1.00 0.00 C +ATOM 97 CA ASP A 97 240.540 265.653 250.359 1.00 0.00 C +ATOM 98 CA GLU A 98 237.261 264.085 249.216 1.00 0.00 C +ATOM 99 CA ARG A 99 233.712 263.239 248.116 1.00 0.00 C +ATOM 100 CA ARG A 100 230.493 262.397 249.973 1.00 0.00 C +ATOM 101 CA GLY A 101 228.588 263.328 253.138 1.00 0.00 C +ATOM 102 CA SER A 102 226.927 264.978 256.144 1.00 0.00 C +ATOM 103 CA ASP A 103 228.155 264.933 259.750 1.00 0.00 C +ATOM 104 CA ARG A 104 226.505 262.737 262.391 1.00 0.00 C +ATOM 105 CA SER A 105 225.776 264.460 265.710 1.00 0.00 C +ATOM 106 CA ASP A 106 223.124 266.290 267.743 1.00 0.00 C +ATOM 107 CA ARG A 107 220.653 266.040 270.632 1.00 0.00 C +ATOM 108 CA LEU A 108 218.664 269.289 270.672 1.00 0.00 C +ATOM 109 CA HIS A 109 220.086 271.248 273.614 1.00 0.00 C +ATOM 110 CA LYS A 110 222.425 270.798 276.588 1.00 0.00 C +ATOM 111 CA HIS A 111 225.080 269.951 279.186 1.00 0.00 C +ATOM 112 CA ARG A 112 228.453 270.723 277.589 1.00 0.00 C +ATOM 113 CA HIS A 113 231.465 270.617 275.259 1.00 0.00 C +ATOM 114 CA HIS A 114 232.934 268.388 272.541 1.00 0.00 C +ATOM 115 CA GLN A 115 232.117 264.688 272.943 1.00 0.00 C +ATOM 116 CA HIS A 116 229.929 261.680 273.770 1.00 0.00 C +ATOM 117 CA ARG A 117 228.034 260.837 276.965 1.00 0.00 C +ATOM 118 CA ARG A 118 226.023 257.611 276.710 1.00 0.00 C +ATOM 119 CA SER A 119 227.631 254.509 278.230 1.00 0.00 C +ATOM 120 CA ARG A 120 226.414 251.126 276.969 1.00 0.00 C +ATOM 121 CA ASP A 121 227.103 249.242 273.730 1.00 0.00 C +ATOM 122 CA LEU A 122 228.062 251.214 270.614 1.00 0.00 C +ATOM 123 CA LEU A 123 229.660 250.573 267.215 1.00 0.00 C +ATOM 124 CA LYS A 124 229.220 250.778 263.436 1.00 0.00 C +ATOM 125 CA ALA A 125 231.594 252.597 261.075 1.00 0.00 C +ATOM 126 CA LYS A 126 233.467 255.891 260.678 1.00 0.00 C +ATOM 127 CA GLN A 127 233.104 259.458 259.390 1.00 0.00 C +ATOM 128 CA THR A 128 234.843 262.442 257.782 1.00 0.00 C +ATOM 129 CA GLU A 129 238.082 263.441 256.042 1.00 0.00 C +ATOM 130 CA LYS A 130 240.944 265.189 257.851 1.00 0.00 C +TER 131 LYS A 130 +END diff --git a/Mammals/Q5RBU6/Q5RBU6.dcd b/Mammals/Q5RBU6/Q5RBU6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a7c582d4ffbc3ba72520310494db9086941d04da --- /dev/null +++ b/Mammals/Q5RBU6/Q5RBU6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:43c4fdbf813a5e16df19fcc05c6f98161556ac98b8c92b3f17e4f394e6356e9a +size 11480276 diff --git a/Mammals/Q5RBU6/top.pdb b/Mammals/Q5RBU6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..67b6590b9e3c4f43ecd1a09feff91d2833fb410e --- /dev/null +++ b/Mammals/Q5RBU6/top.pdb @@ -0,0 +1,93 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 242.066 236.988 219.705 1.00 0.00 C +ATOM 2 CA ASP A 2 243.513 240.382 218.756 1.00 0.00 C +ATOM 3 CA LYS A 3 240.535 242.455 217.593 1.00 0.00 C +ATOM 4 CA ASN A 4 237.077 243.908 218.258 1.00 0.00 C +ATOM 5 CA GLU A 5 235.636 241.996 221.222 1.00 0.00 C +ATOM 6 CA ASN A 6 235.299 243.015 224.878 1.00 0.00 C +ATOM 7 CA GLU A 7 237.686 240.840 226.900 1.00 0.00 C +ATOM 8 CA GLU A 8 237.430 238.379 229.798 1.00 0.00 C +ATOM 9 CA ALA A 9 235.028 236.788 232.290 1.00 0.00 C +ATOM 10 CA ASP A 10 232.616 237.410 235.174 1.00 0.00 C +ATOM 11 CA LEU A 11 228.976 237.307 236.294 1.00 0.00 C +ATOM 12 CA ASP A 12 225.928 235.022 236.219 1.00 0.00 C +ATOM 13 CA GLU A 13 222.534 233.577 237.170 1.00 0.00 C +ATOM 14 CA GLN A 14 220.602 236.177 239.175 1.00 0.00 C +ATOM 15 CA SER A 15 217.025 237.358 239.743 1.00 0.00 C +ATOM 16 CA SER A 16 214.172 234.931 239.045 1.00 0.00 C +ATOM 17 CA LYS A 17 210.949 234.812 241.072 1.00 0.00 C +ATOM 18 CA ARG A 18 207.187 235.214 241.527 1.00 0.00 C +ATOM 19 CA LEU A 19 204.445 232.589 241.853 1.00 0.00 C +ATOM 20 CA SER A 20 201.875 230.367 240.129 1.00 0.00 C +ATOM 21 CA VAL A 21 202.207 226.574 240.266 1.00 0.00 C +ATOM 22 CA ARG A 22 204.435 224.128 238.377 1.00 0.00 C +ATOM 23 CA GLU A 23 205.762 225.658 235.150 1.00 0.00 C +ATOM 24 CA ARG A 24 209.231 227.139 235.690 1.00 0.00 C +ATOM 25 CA ARG A 25 211.194 230.279 234.795 1.00 0.00 C +ATOM 26 CA ARG A 26 213.795 232.548 233.182 1.00 0.00 C +ATOM 27 CA PRO A 27 214.942 236.181 233.147 1.00 0.00 C +ATOM 28 CA LYS A 28 212.524 239.024 233.913 1.00 0.00 C +ATOM 29 CA GLU A 29 210.583 239.870 237.081 1.00 0.00 C +ATOM 30 CA ARG A 30 212.850 241.991 239.290 1.00 0.00 C +ATOM 31 CA ARG A 31 211.849 241.272 242.896 1.00 0.00 C +ATOM 32 CA ARG A 32 211.198 243.570 245.864 1.00 0.00 C +ATOM 33 CA GLY A 33 213.703 244.211 248.662 1.00 0.00 C +ATOM 34 CA THR A 34 216.482 245.577 250.883 1.00 0.00 C +ATOM 35 CA GLY A 35 219.442 247.965 251.099 1.00 0.00 C +ATOM 36 CA ILE A 36 222.789 249.694 250.526 1.00 0.00 C +ATOM 37 CA ASN A 37 225.537 247.910 248.582 1.00 0.00 C +ATOM 38 CA PHE A 38 227.822 247.300 245.595 1.00 0.00 C +ATOM 39 CA TRP A 39 229.811 245.163 243.147 1.00 0.00 C +ATOM 40 CA THR A 40 228.610 245.072 239.532 1.00 0.00 C +ATOM 41 CA LYS A 41 228.217 246.682 236.102 1.00 0.00 C +ATOM 42 CA ASP A 42 231.670 248.066 235.279 1.00 0.00 C +ATOM 43 CA GLU A 43 233.889 250.310 237.413 1.00 0.00 C +ATOM 44 CA ASP A 44 235.837 250.257 240.686 1.00 0.00 C +ATOM 45 CA GLU A 45 237.217 253.718 241.481 1.00 0.00 C +ATOM 46 CA THR A 46 240.967 254.369 241.648 1.00 0.00 C +ATOM 47 CA ASP A 47 244.285 256.205 241.279 1.00 0.00 C +ATOM 48 CA GLY A 48 247.772 256.904 242.646 1.00 0.00 C +ATOM 49 CA SER A 49 248.459 260.645 242.423 1.00 0.00 C +ATOM 50 CA GLU A 50 251.467 262.835 241.603 1.00 0.00 C +ATOM 51 CA GLU A 51 252.133 265.829 243.864 1.00 0.00 C +ATOM 52 CA VAL A 52 253.558 265.831 247.397 1.00 0.00 C +ATOM 53 CA LYS A 53 257.081 264.397 247.619 1.00 0.00 C +ATOM 54 CA GLU A 54 259.647 263.793 250.370 1.00 0.00 C +ATOM 55 CA THR A 55 261.623 260.988 252.026 1.00 0.00 C +ATOM 56 CA TRP A 56 265.204 259.760 252.448 1.00 0.00 C +ATOM 57 CA HIS A 57 267.339 261.667 249.934 1.00 0.00 C +ATOM 58 CA GLU A 58 270.652 262.645 251.541 1.00 0.00 C +ATOM 59 CA LYS A 59 273.013 259.663 251.771 1.00 0.00 C +ATOM 60 CA LEU A 60 272.798 255.989 252.757 1.00 0.00 C +ATOM 61 CA SER A 61 273.598 254.968 256.340 1.00 0.00 C +ATOM 62 CA ARG A 62 273.098 256.270 259.885 1.00 0.00 C +ATOM 63 CA LEU A 63 273.621 255.983 263.648 1.00 0.00 C +ATOM 64 CA GLU A 64 271.575 255.010 266.711 1.00 0.00 C +ATOM 65 CA SER A 65 272.404 252.702 269.627 1.00 0.00 C +ATOM 66 CA GLY A 66 274.874 250.118 270.944 1.00 0.00 C +ATOM 67 CA GLY A 67 278.653 249.632 270.876 1.00 0.00 C +ATOM 68 CA SER A 68 280.209 247.959 267.827 1.00 0.00 C +ATOM 69 CA ASN A 69 282.328 249.316 264.966 1.00 0.00 C +ATOM 70 CA PRO A 70 282.881 252.987 265.822 1.00 0.00 C +ATOM 71 CA THR A 71 280.501 255.190 267.821 1.00 0.00 C +ATOM 72 CA THR A 72 279.517 255.751 271.459 1.00 0.00 C +ATOM 73 CA SER A 73 281.032 257.142 274.666 1.00 0.00 C +ATOM 74 CA ASP A 74 283.202 260.197 273.980 1.00 0.00 C +ATOM 75 CA SER A 75 286.197 262.511 274.422 1.00 0.00 C +ATOM 76 CA TYR A 76 288.966 263.671 272.076 1.00 0.00 C +ATOM 77 CA GLY A 77 291.401 266.364 270.923 1.00 0.00 C +ATOM 78 CA ASP A 78 292.116 267.557 267.376 1.00 0.00 C +ATOM 79 CA ARG A 79 294.467 270.554 267.256 1.00 0.00 C +ATOM 80 CA ALA A 80 296.475 271.115 270.445 1.00 0.00 C +ATOM 81 CA SER A 81 297.362 270.941 274.146 1.00 0.00 C +ATOM 82 CA ALA A 82 299.763 268.621 275.981 1.00 0.00 C +ATOM 83 CA ARG A 83 303.150 268.497 274.239 1.00 0.00 C +ATOM 84 CA ALA A 84 305.080 265.749 276.038 1.00 0.00 C +ATOM 85 CA ARG A 85 303.505 264.107 279.094 1.00 0.00 C +ATOM 86 CA ARG A 86 304.397 265.805 282.386 1.00 0.00 C +ATOM 87 CA GLY A 87 308.154 266.002 282.986 1.00 0.00 C +ATOM 88 CA ALA A 88 311.213 265.824 285.251 1.00 0.00 C +ATOM 89 CA ARG A 89 312.089 268.263 288.044 1.00 0.00 C +TER 90 ARG A 89 +END diff --git a/Mammals/Q5RCX7/Q5RCX7.dcd b/Mammals/Q5RCX7/Q5RCX7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..801cb8854ba0a4ca2527609b69bba73901f531aa --- /dev/null +++ b/Mammals/Q5RCX7/Q5RCX7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e1bae5598ba1b69d54c6e03b9a4f35b65d62c19e39d9c2c1730b22498025a715 +size 7040276 diff --git a/Mammals/Q5RCX7/top.pdb b/Mammals/Q5RCX7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..bbd9b67017cf6a2b49fd67200db0299b5df3a484 --- /dev/null +++ b/Mammals/Q5RCX7/top.pdb @@ -0,0 +1,56 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA THR A 1 231.972 285.158 233.446 1.00 0.00 C +ATOM 2 CA LYS A 2 228.345 284.038 233.125 1.00 0.00 C +ATOM 3 CA MET A 3 224.957 283.415 234.753 1.00 0.00 C +ATOM 4 CA GLY A 4 222.953 281.257 232.335 1.00 0.00 C +ATOM 5 CA SER A 5 224.280 277.767 231.575 1.00 0.00 C +ATOM 6 CA LYS A 6 226.521 276.665 234.452 1.00 0.00 C +ATOM 7 CA LEU A 7 226.760 277.180 238.219 1.00 0.00 C +ATOM 8 CA GLU A 8 226.103 274.074 240.326 1.00 0.00 C +ATOM 9 CA ASP A 9 227.199 270.456 240.804 1.00 0.00 C +ATOM 10 CA ILE A 10 229.465 268.574 243.220 1.00 0.00 C +ATOM 11 CA LEU A 11 231.742 269.576 246.106 1.00 0.00 C +ATOM 12 CA MET A 12 232.141 268.972 249.846 1.00 0.00 C +ATOM 13 CA ASP A 13 235.078 266.744 250.808 1.00 0.00 C +ATOM 14 CA ASP A 14 237.021 266.535 254.079 1.00 0.00 C +ATOM 15 CA THR A 15 238.031 266.554 257.753 1.00 0.00 C +ATOM 16 CA LEU A 16 238.749 265.770 261.411 1.00 0.00 C +ATOM 17 CA SER A 17 237.001 262.793 263.023 1.00 0.00 C +ATOM 18 CA PRO A 18 236.895 259.832 260.628 1.00 0.00 C +ATOM 19 CA VAL A 19 236.474 257.807 257.429 1.00 0.00 C +ATOM 20 CA GLY A 20 235.388 257.298 253.812 1.00 0.00 C +ATOM 21 CA VAL A 21 233.052 254.434 252.889 1.00 0.00 C +ATOM 22 CA THR A 22 234.427 251.085 254.078 1.00 0.00 C +ATOM 23 CA ASP A 23 236.058 247.692 253.494 1.00 0.00 C +ATOM 24 CA PRO A 24 236.170 243.892 253.755 1.00 0.00 C +ATOM 25 CA LEU A 25 235.790 240.185 254.546 1.00 0.00 C +ATOM 26 CA LEU A 26 236.839 236.938 256.241 1.00 0.00 C +ATOM 27 CA SER A 27 240.191 236.465 257.990 1.00 0.00 C +ATOM 28 CA SER A 28 243.576 238.206 258.159 1.00 0.00 C +ATOM 29 CA VAL A 29 245.877 238.098 261.194 1.00 0.00 C +ATOM 30 CA SER A 30 247.928 238.123 264.404 1.00 0.00 C +ATOM 31 CA PRO A 31 251.319 239.840 264.147 1.00 0.00 C +ATOM 32 CA GLY A 32 253.994 238.160 262.017 1.00 0.00 C +ATOM 33 CA ALA A 33 257.709 238.658 262.701 1.00 0.00 C +ATOM 34 CA SER A 34 261.489 238.843 262.260 1.00 0.00 C +ATOM 35 CA LYS A 35 264.372 236.698 260.994 1.00 0.00 C +ATOM 36 CA THR A 36 268.077 236.424 261.842 1.00 0.00 C +ATOM 37 CA SER A 37 270.758 233.889 262.791 1.00 0.00 C +ATOM 38 CA SER A 38 273.390 231.283 261.899 1.00 0.00 C +ATOM 39 CA ARG A 39 271.831 229.361 259.002 1.00 0.00 C +ATOM 40 CA ARG A 40 270.258 227.151 256.326 1.00 0.00 C +ATOM 41 CA SER A 41 271.266 225.538 253.025 1.00 0.00 C +ATOM 42 CA SER A 42 274.546 226.611 251.412 1.00 0.00 C +ATOM 43 CA MET A 43 277.362 228.296 249.476 1.00 0.00 C +ATOM 44 CA SER A 44 276.759 231.387 247.331 1.00 0.00 C +ATOM 45 CA MET A 45 276.513 235.056 246.335 1.00 0.00 C +ATOM 46 CA GLU A 46 278.619 236.267 243.400 1.00 0.00 C +ATOM 47 CA GLU A 47 277.865 234.173 240.308 1.00 0.00 C +ATOM 48 CA THR A 48 279.694 232.920 237.209 1.00 0.00 C +ATOM 49 CA GLU A 49 282.932 234.879 236.772 1.00 0.00 C +ATOM 50 CA HIS A 50 283.000 236.578 233.363 1.00 0.00 C +ATOM 51 CA ALA A 51 282.097 240.130 232.325 1.00 0.00 C +ATOM 52 CA CYS A 52 279.170 242.276 231.164 1.00 0.00 C +TER 53 CYS A 52 +END diff --git a/Mammals/Q5RD43/Q5RD43.dcd b/Mammals/Q5RD43/Q5RD43.dcd new file mode 100644 index 0000000000000000000000000000000000000000..33e5d874755398ca5c680a91faef5cca407afc66 --- /dev/null +++ b/Mammals/Q5RD43/Q5RD43.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:37bf7ae606ba002cbcc69e93120997bfbd5bf3d12ea73d37ccdc44afc682870f +size 11960276 diff --git a/Mammals/Q5RD43/top.pdb b/Mammals/Q5RD43/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..93ba45a1a7ace00526eeadaac939898fae0cd6f9 --- /dev/null +++ b/Mammals/Q5RD43/top.pdb @@ -0,0 +1,97 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 282.854 234.993 241.745 1.00 0.00 C +ATOM 2 CA THR A 2 280.096 235.711 244.273 1.00 0.00 C +ATOM 3 CA MET A 3 276.489 236.220 245.389 1.00 0.00 C +ATOM 4 CA THR A 4 275.150 239.553 246.661 1.00 0.00 C +ATOM 5 CA ALA A 5 271.638 240.996 246.986 1.00 0.00 C +ATOM 6 CA ASN A 6 268.245 242.631 247.554 1.00 0.00 C +ATOM 7 CA LYS A 7 265.408 240.609 246.010 1.00 0.00 C +ATOM 8 CA ASN A 8 264.606 239.655 242.410 1.00 0.00 C +ATOM 9 CA SER A 9 262.769 236.365 241.846 1.00 0.00 C +ATOM 10 CA SER A 10 264.454 233.683 239.729 1.00 0.00 C +ATOM 11 CA ILE A 11 263.126 230.122 239.998 1.00 0.00 C +ATOM 12 CA THR A 12 263.635 226.374 239.539 1.00 0.00 C +ATOM 13 CA HIS A 13 261.726 224.162 241.985 1.00 0.00 C +ATOM 14 CA GLY A 14 258.966 221.557 242.314 1.00 0.00 C +ATOM 15 CA ALA A 15 255.232 222.165 242.762 1.00 0.00 C +ATOM 16 CA GLY A 16 252.989 224.216 245.059 1.00 0.00 C +ATOM 17 CA GLY A 17 251.202 227.154 246.699 1.00 0.00 C +ATOM 18 CA THR A 18 253.329 230.315 246.717 1.00 0.00 C +ATOM 19 CA LYS A 19 256.615 232.233 246.510 1.00 0.00 C +ATOM 20 CA ALA A 20 257.205 235.990 246.294 1.00 0.00 C +ATOM 21 CA PRO A 21 260.124 237.469 248.245 1.00 0.00 C +ATOM 22 CA ARG A 22 259.574 239.743 251.252 1.00 0.00 C +ATOM 23 CA GLY A 23 258.661 237.549 254.230 1.00 0.00 C +ATOM 24 CA THR A 24 260.480 236.883 257.511 1.00 0.00 C +ATOM 25 CA LEU A 25 258.908 236.652 260.974 1.00 0.00 C +ATOM 26 CA SER A 26 256.510 239.590 261.338 1.00 0.00 C +ATOM 27 CA ARG A 27 254.171 241.852 263.321 1.00 0.00 C +ATOM 28 CA SER A 28 254.402 245.627 262.865 1.00 0.00 C +ATOM 29 CA GLN A 29 254.235 248.483 265.380 1.00 0.00 C +ATOM 30 CA SER A 30 255.141 250.897 268.185 1.00 0.00 C +ATOM 31 CA VAL A 31 253.271 254.160 268.795 1.00 0.00 C +ATOM 32 CA SER A 32 254.937 257.133 267.090 1.00 0.00 C +ATOM 33 CA PRO A 33 255.884 258.689 263.744 1.00 0.00 C +ATOM 34 CA PRO A 34 252.963 260.034 261.701 1.00 0.00 C +ATOM 35 CA PRO A 35 250.173 257.531 261.016 1.00 0.00 C +ATOM 36 CA VAL A 36 246.592 256.808 259.935 1.00 0.00 C +ATOM 37 CA LEU A 37 242.827 256.696 259.358 1.00 0.00 C +ATOM 38 CA SER A 38 240.579 253.633 259.073 1.00 0.00 C +ATOM 39 CA PRO A 39 237.163 253.312 260.728 1.00 0.00 C +ATOM 40 CA PRO A 40 234.539 256.073 260.642 1.00 0.00 C +ATOM 41 CA ARG A 41 233.067 256.375 264.144 1.00 0.00 C +ATOM 42 CA SER A 42 230.115 258.779 264.267 1.00 0.00 C +ATOM 43 CA PRO A 43 227.236 256.969 262.549 1.00 0.00 C +ATOM 44 CA ILE A 44 226.514 254.329 259.899 1.00 0.00 C +ATOM 45 CA TYR A 45 222.956 253.028 259.493 1.00 0.00 C +ATOM 46 CA PRO A 46 221.779 249.439 258.995 1.00 0.00 C +ATOM 47 CA LEU A 47 224.198 246.849 257.595 1.00 0.00 C +ATOM 48 CA SER A 48 227.961 246.342 257.280 1.00 0.00 C +ATOM 49 CA ASP A 49 231.029 246.772 255.062 1.00 0.00 C +ATOM 50 CA SER A 50 234.696 245.746 255.186 1.00 0.00 C +ATOM 51 CA GLU A 51 237.471 247.331 253.111 1.00 0.00 C +ATOM 52 CA THR A 52 238.599 249.117 249.940 1.00 0.00 C +ATOM 53 CA SER A 53 242.281 249.768 249.210 1.00 0.00 C +ATOM 54 CA ALA A 54 245.693 248.241 248.471 1.00 0.00 C +ATOM 55 CA CYS A 55 245.258 244.502 249.059 1.00 0.00 C +ATOM 56 CA ARG A 56 245.361 242.475 245.834 1.00 0.00 C +ATOM 57 CA TYR A 57 246.904 243.093 242.406 1.00 0.00 C +ATOM 58 CA PRO A 58 247.441 243.914 238.725 1.00 0.00 C +ATOM 59 CA SER A 59 247.513 247.068 236.588 1.00 0.00 C +ATOM 60 CA HIS A 60 250.141 249.429 235.162 1.00 0.00 C +ATOM 61 CA SER A 61 252.844 252.113 235.244 1.00 0.00 C +ATOM 62 CA SER A 62 255.767 252.933 232.941 1.00 0.00 C +ATOM 63 CA SER A 63 258.417 254.520 235.172 1.00 0.00 C +ATOM 64 CA ARG A 64 258.307 253.256 238.764 1.00 0.00 C +ATOM 65 CA VAL A 65 257.012 254.938 241.928 1.00 0.00 C +ATOM 66 CA LEU A 66 256.858 253.417 245.418 1.00 0.00 C +ATOM 67 CA LEU A 67 259.242 250.841 246.900 1.00 0.00 C +ATOM 68 CA LYS A 68 262.836 251.982 247.447 1.00 0.00 C +ATOM 69 CA ASP A 69 265.043 254.918 248.460 1.00 0.00 C +ATOM 70 CA ARG A 70 265.573 258.668 248.877 1.00 0.00 C +ATOM 71 CA HIS A 71 265.167 261.614 251.258 1.00 0.00 C +ATOM 72 CA PRO A 72 264.532 264.519 253.640 1.00 0.00 C +ATOM 73 CA PRO A 73 260.933 265.739 253.911 1.00 0.00 C +ATOM 74 CA ALA A 74 258.416 263.460 252.181 1.00 0.00 C +ATOM 75 CA PRO A 75 256.844 263.219 248.719 1.00 0.00 C +ATOM 76 CA SER A 76 253.971 265.702 248.409 1.00 0.00 C +ATOM 77 CA PRO A 77 250.182 265.314 248.492 1.00 0.00 C +ATOM 78 CA GLN A 78 246.395 265.731 248.455 1.00 0.00 C +ATOM 79 CA ASN A 79 243.655 264.587 250.843 1.00 0.00 C +ATOM 80 CA PRO A 80 244.181 261.433 252.914 1.00 0.00 C +ATOM 81 CA GLN A 81 240.803 259.918 253.812 1.00 0.00 C +ATOM 82 CA ASP A 82 237.496 260.551 252.028 1.00 0.00 C +ATOM 83 CA PRO A 83 235.531 259.168 249.071 1.00 0.00 C +ATOM 84 CA THR A 84 232.062 258.432 250.463 1.00 0.00 C +ATOM 85 CA PRO A 85 229.787 261.473 250.757 1.00 0.00 C +ATOM 86 CA ARG A 86 230.777 265.152 250.766 1.00 0.00 C +ATOM 87 CA GLU A 87 232.769 265.617 247.551 1.00 0.00 C +ATOM 88 CA GLY A 88 234.582 265.921 244.214 1.00 0.00 C +ATOM 89 CA ARG A 89 235.446 266.805 240.610 1.00 0.00 C +ATOM 90 CA GLN A 90 236.267 268.857 237.506 1.00 0.00 C +ATOM 91 CA TRP A 91 237.818 272.012 236.038 1.00 0.00 C +ATOM 92 CA PHE A 92 238.146 275.237 234.036 1.00 0.00 C +ATOM 93 CA HIS A 93 239.265 278.867 234.335 1.00 0.00 C +TER 94 HIS A 93 +END diff --git a/Mammals/Q5RDV1/Q5RDV1.dcd b/Mammals/Q5RDV1/Q5RDV1.dcd new file mode 100644 index 0000000000000000000000000000000000000000..0d2b7c6ea95ebb246f1e38b0c1716f72c6708615 --- /dev/null +++ b/Mammals/Q5RDV1/Q5RDV1.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d62d7ece86e946ea70d83a4de3bfd83947dffc3c5533f82a212cc164970c6ba3 +size 8960276 diff --git a/Mammals/Q5RDV1/top.pdb b/Mammals/Q5RDV1/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..fffc8e349518df99b27681da54cd2cf83c6c44e3 --- /dev/null +++ b/Mammals/Q5RDV1/top.pdb @@ -0,0 +1,72 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 244.581 230.059 245.686 1.00 0.00 C +ATOM 2 CA GLY A 2 243.329 230.065 242.087 1.00 0.00 C +ATOM 3 CA ASP A 3 244.969 230.146 238.649 1.00 0.00 C +ATOM 4 CA GLN A 4 243.290 228.657 235.570 1.00 0.00 C +ATOM 5 CA PRO A 5 241.586 226.450 232.974 1.00 0.00 C +ATOM 6 CA CYS A 6 242.157 226.933 229.238 1.00 0.00 C +ATOM 7 CA ALA A 7 240.109 224.997 226.674 1.00 0.00 C +ATOM 8 CA SER A 8 241.185 221.343 226.751 1.00 0.00 C +ATOM 9 CA GLY A 9 243.772 219.181 228.527 1.00 0.00 C +ATOM 10 CA ARG A 10 247.104 220.758 227.566 1.00 0.00 C +ATOM 11 CA SER A 11 248.103 222.910 224.585 1.00 0.00 C +ATOM 12 CA THR A 12 248.520 226.084 222.519 1.00 0.00 C +ATOM 13 CA LEU A 13 245.465 228.250 221.819 1.00 0.00 C +ATOM 14 CA PRO A 14 245.867 232.025 221.499 1.00 0.00 C +ATOM 15 CA PRO A 15 246.611 235.732 221.023 1.00 0.00 C +ATOM 16 CA GLY A 16 245.192 238.416 223.325 1.00 0.00 C +ATOM 17 CA ASN A 17 243.215 240.397 225.910 1.00 0.00 C +ATOM 18 CA ALA A 18 245.422 242.163 228.464 1.00 0.00 C +ATOM 19 CA ARG A 19 249.136 242.259 227.619 1.00 0.00 C +ATOM 20 CA GLU A 20 250.782 239.740 229.955 1.00 0.00 C +ATOM 21 CA ALA A 21 251.479 236.041 230.547 1.00 0.00 C +ATOM 22 CA LYS A 22 253.544 234.324 227.843 1.00 0.00 C +ATOM 23 CA PRO A 23 254.352 233.833 224.153 1.00 0.00 C +ATOM 24 CA PRO A 24 253.498 236.386 221.457 1.00 0.00 C +ATOM 25 CA LYS A 25 255.853 239.352 221.878 1.00 0.00 C +ATOM 26 CA LYS A 26 258.015 240.002 224.947 1.00 0.00 C +ATOM 27 CA ARG A 27 260.583 242.590 223.840 1.00 0.00 C +ATOM 28 CA CYS A 28 262.373 245.175 225.992 1.00 0.00 C +ATOM 29 CA LEU A 29 261.228 247.829 228.474 1.00 0.00 C +ATOM 30 CA LEU A 30 257.904 248.969 229.947 1.00 0.00 C +ATOM 31 CA ALA A 31 256.168 246.776 232.534 1.00 0.00 C +ATOM 32 CA PRO A 32 255.941 245.649 236.167 1.00 0.00 C +ATOM 33 CA ARG A 33 255.003 244.590 239.704 1.00 0.00 C +ATOM 34 CA TRP A 34 255.281 245.049 243.476 1.00 0.00 C +ATOM 35 CA ASP A 35 254.780 247.006 246.707 1.00 0.00 C +ATOM 36 CA TYR A 36 254.038 248.480 250.141 1.00 0.00 C +ATOM 37 CA PRO A 37 253.464 245.746 252.731 1.00 0.00 C +ATOM 38 CA GLU A 38 255.990 242.959 252.124 1.00 0.00 C +ATOM 39 CA GLY A 39 259.414 243.788 253.574 1.00 0.00 C +ATOM 40 CA THR A 40 260.124 241.691 256.675 1.00 0.00 C +ATOM 41 CA PRO A 41 259.842 242.888 260.281 1.00 0.00 C +ATOM 42 CA ASN A 42 260.042 243.967 263.929 1.00 0.00 C +ATOM 43 CA GLY A 43 259.687 247.742 264.305 1.00 0.00 C +ATOM 44 CA GLY A 44 258.174 251.199 263.782 1.00 0.00 C +ATOM 45 CA SER A 45 260.681 253.442 261.992 1.00 0.00 C +ATOM 46 CA THR A 46 262.766 256.469 260.990 1.00 0.00 C +ATOM 47 CA THR A 47 261.093 259.885 261.213 1.00 0.00 C +ATOM 48 CA LEU A 48 258.601 261.833 263.337 1.00 0.00 C +ATOM 49 CA PRO A 49 256.310 263.857 265.611 1.00 0.00 C +ATOM 50 CA SER A 50 254.274 266.387 267.603 1.00 0.00 C +ATOM 51 CA ALA A 51 255.176 266.632 271.297 1.00 0.00 C +ATOM 52 CA PRO A 52 254.961 269.210 274.094 1.00 0.00 C +ATOM 53 CA PRO A 53 254.525 272.775 275.365 1.00 0.00 C +ATOM 54 CA PRO A 54 254.529 276.584 275.309 1.00 0.00 C +ATOM 55 CA ALA A 55 251.119 278.028 276.206 1.00 0.00 C +ATOM 56 CA SER A 56 247.709 279.543 275.436 1.00 0.00 C +ATOM 57 CA ALA A 57 244.929 281.956 276.418 1.00 0.00 C +ATOM 58 CA GLY A 58 241.393 283.308 276.853 1.00 0.00 C +ATOM 59 CA LEU A 59 239.158 280.437 277.983 1.00 0.00 C +ATOM 60 CA LYS A 60 241.231 277.880 279.901 1.00 0.00 C +ATOM 61 CA SER A 61 243.799 277.851 282.715 1.00 0.00 C +ATOM 62 CA HIS A 62 243.605 275.135 285.381 1.00 0.00 C +ATOM 63 CA PRO A 63 240.143 275.137 286.972 1.00 0.00 C +ATOM 64 CA PRO A 64 237.064 276.576 285.250 1.00 0.00 C +ATOM 65 CA PRO A 65 233.736 276.469 287.102 1.00 0.00 C +ATOM 66 CA PRO A 66 233.243 279.129 289.784 1.00 0.00 C +ATOM 67 CA GLU A 67 231.428 279.659 293.092 1.00 0.00 C +ATOM 68 CA LYS A 68 231.356 283.217 294.453 1.00 0.00 C +TER 69 LYS A 68 +END diff --git a/Mammals/Q5REV3/Q5REV3.dcd b/Mammals/Q5REV3/Q5REV3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e6114109d7c40f260f293a0be4debe0af454896e --- /dev/null +++ b/Mammals/Q5REV3/Q5REV3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:71abad9667823b91e8df66a8c3ff302fed54a5b5a282701c6f582e2aaab274b6 +size 6680276 diff --git a/Mammals/Q5REV3/top.pdb b/Mammals/Q5REV3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2b270614fdbf40e87904e67c6868663540967f39 --- /dev/null +++ b/Mammals/Q5REV3/top.pdb @@ -0,0 +1,53 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 252.780 280.282 270.638 1.00 0.00 C +ATOM 2 CA SER A 2 253.512 280.941 274.318 1.00 0.00 C +ATOM 3 CA ASP A 3 254.262 277.662 276.107 1.00 0.00 C +ATOM 4 CA GLN A 4 252.497 274.647 274.588 1.00 0.00 C +ATOM 5 CA LYS A 5 249.654 272.322 275.603 1.00 0.00 C +ATOM 6 CA LYS A 6 246.006 271.476 274.903 1.00 0.00 C +ATOM 7 CA GLU A 7 244.141 271.810 271.598 1.00 0.00 C +ATOM 8 CA GLU A 8 241.024 269.725 270.921 1.00 0.00 C +ATOM 9 CA GLU A 9 238.433 271.036 268.454 1.00 0.00 C +ATOM 10 CA GLU A 10 235.148 269.117 268.651 1.00 0.00 C +ATOM 11 CA GLU A 11 235.093 265.592 267.205 1.00 0.00 C +ATOM 12 CA ALA A 12 235.780 265.318 263.468 1.00 0.00 C +ATOM 13 CA ALA A 13 236.646 264.750 259.801 1.00 0.00 C +ATOM 14 CA ALA A 14 236.677 264.465 256.002 1.00 0.00 C +ATOM 15 CA ALA A 15 237.949 261.009 255.025 1.00 0.00 C +ATOM 16 CA ALA A 16 239.295 257.832 253.409 1.00 0.00 C +ATOM 17 CA ALA A 17 242.616 256.937 255.048 1.00 0.00 C +ATOM 18 CA MET A 18 246.072 256.392 253.540 1.00 0.00 C +ATOM 19 CA ALA A 19 249.422 258.194 253.323 1.00 0.00 C +ATOM 20 CA THR A 20 252.240 256.436 255.191 1.00 0.00 C +ATOM 21 CA GLU A 21 253.065 253.289 257.174 1.00 0.00 C +ATOM 22 CA GLY A 22 255.603 251.094 255.369 1.00 0.00 C +ATOM 23 CA GLY A 23 254.399 247.524 254.800 1.00 0.00 C +ATOM 24 CA LYS A 24 256.089 245.259 252.245 1.00 0.00 C +ATOM 25 CA THR A 25 257.284 244.236 248.775 1.00 0.00 C +ATOM 26 CA SER A 26 256.081 242.325 245.706 1.00 0.00 C +ATOM 27 CA GLU A 27 255.073 243.827 242.353 1.00 0.00 C +ATOM 28 CA PRO A 28 256.198 247.282 241.207 1.00 0.00 C +ATOM 29 CA GLU A 29 255.539 250.440 239.181 1.00 0.00 C +ATOM 30 CA ASN A 30 253.012 251.435 236.508 1.00 0.00 C +ATOM 31 CA ASN A 31 252.779 250.631 232.791 1.00 0.00 C +ATOM 32 CA ASN A 32 251.088 247.275 232.158 1.00 0.00 C +ATOM 33 CA LYS A 33 253.821 244.620 232.201 1.00 0.00 C +ATOM 34 CA LYS A 34 253.168 241.709 229.831 1.00 0.00 C +ATOM 35 CA PRO A 35 254.023 238.303 231.308 1.00 0.00 C +ATOM 36 CA LYS A 36 255.677 235.080 230.129 1.00 0.00 C +ATOM 37 CA THR A 37 254.644 231.583 229.022 1.00 0.00 C +ATOM 38 CA SER A 38 256.652 228.568 227.842 1.00 0.00 C +ATOM 39 CA GLY A 39 258.886 226.468 230.103 1.00 0.00 C +ATOM 40 CA SER A 40 261.408 228.015 232.503 1.00 0.00 C +ATOM 41 CA GLN A 41 261.316 226.474 235.986 1.00 0.00 C +ATOM 42 CA VAL A 42 258.877 224.975 238.500 1.00 0.00 C +ATOM 43 CA SER A 43 255.457 224.694 240.156 1.00 0.00 C +ATOM 44 CA SER A 44 251.738 225.428 239.772 1.00 0.00 C +ATOM 45 CA LYS A 45 248.801 225.236 242.190 1.00 0.00 C +ATOM 46 CA ASP A 46 249.061 227.771 245.022 1.00 0.00 C +ATOM 47 CA LYS A 47 247.979 231.330 245.850 1.00 0.00 C +ATOM 48 CA MET A 48 246.981 234.215 243.570 1.00 0.00 C +ATOM 49 CA GLU A 49 246.050 234.971 239.954 1.00 0.00 C +TER 50 GLU A 49 +END diff --git a/Mammals/Q5RF85/Q5RF85.dcd b/Mammals/Q5RF85/Q5RF85.dcd new file mode 100644 index 0000000000000000000000000000000000000000..71427b22d57295f7cf01d212ccf623d0a864c67c --- /dev/null +++ b/Mammals/Q5RF85/Q5RF85.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:45df6d3fd606e3c6b2988594227cc260cbcbfaa2850c8230b505ee20d661583d +size 6800276 diff --git a/Mammals/Q5RF85/top.pdb b/Mammals/Q5RF85/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..374aefb2e7b46a62b2bb944ea106108f3ece6d30 --- /dev/null +++ b/Mammals/Q5RF85/top.pdb @@ -0,0 +1,54 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 244.651 251.889 249.505 1.00 0.00 C +ATOM 2 CA GLU A 2 242.450 251.029 246.516 1.00 0.00 C +ATOM 3 CA SER A 3 239.072 250.402 244.870 1.00 0.00 C +ATOM 4 CA LYS A 4 238.945 246.684 244.046 1.00 0.00 C +ATOM 5 CA PRO A 5 239.774 245.876 240.416 1.00 0.00 C +ATOM 6 CA SER A 6 242.470 243.329 239.545 1.00 0.00 C +ATOM 7 CA ARG A 7 245.048 241.305 237.602 1.00 0.00 C +ATOM 8 CA ILE A 8 248.575 241.180 236.168 1.00 0.00 C +ATOM 9 CA PRO A 9 251.115 239.162 238.167 1.00 0.00 C +ATOM 10 CA ARG A 10 249.362 237.841 241.281 1.00 0.00 C +ATOM 11 CA ARG A 11 248.881 235.333 244.109 1.00 0.00 C +ATOM 12 CA ILE A 12 245.618 236.239 245.854 1.00 0.00 C +ATOM 13 CA SER A 13 245.499 239.553 247.730 1.00 0.00 C +ATOM 14 CA VAL A 14 248.251 239.416 250.361 1.00 0.00 C +ATOM 15 CA GLN A 15 247.187 241.797 253.139 1.00 0.00 C +ATOM 16 CA PRO A 16 244.808 244.548 252.002 1.00 0.00 C +ATOM 17 CA SER A 17 241.987 246.071 249.943 1.00 0.00 C +ATOM 18 CA SER A 18 238.187 246.048 250.208 1.00 0.00 C +ATOM 19 CA SER A 19 236.878 242.496 249.775 1.00 0.00 C +ATOM 20 CA LEU A 20 235.911 238.811 249.830 1.00 0.00 C +ATOM 21 CA SER A 21 232.370 237.988 250.970 1.00 0.00 C +ATOM 22 CA ALA A 22 229.177 239.404 252.492 1.00 0.00 C +ATOM 23 CA ARG A 23 227.823 242.950 252.160 1.00 0.00 C +ATOM 24 CA MET A 24 229.181 245.301 254.834 1.00 0.00 C +ATOM 25 CA MET A 25 230.084 248.998 254.664 1.00 0.00 C +ATOM 26 CA SER A 26 232.247 251.982 255.631 1.00 0.00 C +ATOM 27 CA GLY A 27 232.787 251.827 259.399 1.00 0.00 C +ATOM 28 CA SER A 28 235.685 254.012 260.559 1.00 0.00 C +ATOM 29 CA ARG A 29 239.336 253.302 259.733 1.00 0.00 C +ATOM 30 CA GLY A 30 242.079 252.324 257.276 1.00 0.00 C +ATOM 31 CA SER A 31 243.559 254.962 254.960 1.00 0.00 C +ATOM 32 CA SER A 32 247.154 255.346 253.760 1.00 0.00 C +ATOM 33 CA LEU A 33 248.848 256.123 250.437 1.00 0.00 C +ATOM 34 CA ASN A 34 250.318 259.636 250.539 1.00 0.00 C +ATOM 35 CA ASP A 35 253.966 260.570 251.120 1.00 0.00 C +ATOM 36 CA THR A 36 256.654 259.131 248.835 1.00 0.00 C +ATOM 37 CA TYR A 37 260.278 260.165 249.397 1.00 0.00 C +ATOM 38 CA HIS A 38 261.974 262.826 247.263 1.00 0.00 C +ATOM 39 CA SER A 39 264.358 265.070 245.313 1.00 0.00 C +ATOM 40 CA ARG A 40 268.033 264.100 245.056 1.00 0.00 C +ATOM 41 CA ASP A 41 271.224 262.017 245.012 1.00 0.00 C +ATOM 42 CA SER A 42 272.309 261.231 248.579 1.00 0.00 C +ATOM 43 CA SER A 43 269.660 262.061 251.188 1.00 0.00 C +ATOM 44 CA PHE A 44 270.482 262.244 254.903 1.00 0.00 C +ATOM 45 CA ARG A 45 272.886 260.242 257.078 1.00 0.00 C +ATOM 46 CA LEU A 46 273.625 256.729 258.354 1.00 0.00 C +ATOM 47 CA ASP A 47 274.891 254.554 255.493 1.00 0.00 C +ATOM 48 CA SER A 48 276.200 251.125 254.470 1.00 0.00 C +ATOM 49 CA GLU A 49 279.068 248.981 255.772 1.00 0.00 C +ATOM 50 CA TYR A 50 279.074 245.792 253.688 1.00 0.00 C +TER 51 TYR A 50 +END diff --git a/Mammals/Q5RFC3/Q5RFC3.dcd b/Mammals/Q5RFC3/Q5RFC3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b03556d3c86af3de777c9f6bc6c6d25995d4096f --- /dev/null +++ b/Mammals/Q5RFC3/Q5RFC3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:889de1c4da82e902e32ab7c1ad6fd07c9ca961bd5723be53e8f8b52dcef5bec2 +size 7400276 diff --git a/Mammals/Q5RFC3/top.pdb b/Mammals/Q5RFC3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5adf1e66693a0dc3d7029bbc45f3b52b45260af6 --- /dev/null +++ b/Mammals/Q5RFC3/top.pdb @@ -0,0 +1,59 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 277.762 218.331 264.626 1.00 0.00 C +ATOM 2 CA GLY A 2 275.802 215.779 266.666 1.00 0.00 C +ATOM 3 CA LEU A 3 271.999 215.843 266.442 1.00 0.00 C +ATOM 4 CA SER A 4 269.325 214.564 264.049 1.00 0.00 C +ATOM 5 CA PRO A 5 269.223 216.802 260.967 1.00 0.00 C +ATOM 6 CA SER A 6 272.539 218.599 260.431 1.00 0.00 C +ATOM 7 CA ALA A 7 271.590 222.289 260.401 1.00 0.00 C +ATOM 8 CA PRO A 8 269.309 225.330 260.652 1.00 0.00 C +ATOM 9 CA ALA A 9 268.160 228.963 260.658 1.00 0.00 C +ATOM 10 CA VAL A 10 265.576 231.753 260.891 1.00 0.00 C +ATOM 11 CA ALA A 11 262.830 234.383 261.136 1.00 0.00 C +ATOM 12 CA VAL A 12 262.673 238.146 261.708 1.00 0.00 C +ATOM 13 CA GLN A 13 263.015 241.091 264.101 1.00 0.00 C +ATOM 14 CA ALA A 14 259.783 243.051 264.578 1.00 0.00 C +ATOM 15 CA SER A 15 257.758 246.278 264.611 1.00 0.00 C +ATOM 16 CA ASN A 16 258.010 249.676 262.906 1.00 0.00 C +ATOM 17 CA ALA A 17 259.803 252.956 262.169 1.00 0.00 C +ATOM 18 CA SER A 18 261.188 253.780 258.716 1.00 0.00 C +ATOM 19 CA ALA A 19 260.858 257.566 258.451 1.00 0.00 C +ATOM 20 CA SER A 20 257.677 258.686 256.678 1.00 0.00 C +ATOM 21 CA PRO A 21 256.307 262.084 255.632 1.00 0.00 C +ATOM 22 CA PRO A 22 252.598 262.425 254.829 1.00 0.00 C +ATOM 23 CA SER A 23 250.338 261.519 251.899 1.00 0.00 C +ATOM 24 CA GLY A 24 248.257 264.355 250.436 1.00 0.00 C +ATOM 25 CA CYS A 25 244.957 265.059 252.206 1.00 0.00 C +ATOM 26 CA PRO A 26 241.365 263.943 252.809 1.00 0.00 C +ATOM 27 CA MET A 27 241.296 262.631 256.385 1.00 0.00 C +ATOM 28 CA HIS A 28 237.942 261.673 257.919 1.00 0.00 C +ATOM 29 CA GLU A 29 234.490 260.249 258.675 1.00 0.00 C +ATOM 30 CA GLY A 30 233.116 256.920 259.918 1.00 0.00 C +ATOM 31 CA LYS A 31 231.287 255.409 256.937 1.00 0.00 C +ATOM 32 CA MET A 32 228.396 256.779 254.866 1.00 0.00 C +ATOM 33 CA LYS A 33 228.193 257.406 251.114 1.00 0.00 C +ATOM 34 CA GLY A 34 231.093 255.899 249.155 1.00 0.00 C +ATOM 35 CA CYS A 35 232.161 252.821 247.181 1.00 0.00 C +ATOM 36 CA PRO A 36 235.057 253.731 244.878 1.00 0.00 C +ATOM 37 CA VAL A 37 238.505 255.247 244.306 1.00 0.00 C +ATOM 38 CA SER A 38 239.304 258.021 246.792 1.00 0.00 C +ATOM 39 CA THR A 39 242.713 259.706 246.545 1.00 0.00 C +ATOM 40 CA GLU A 40 244.843 261.189 243.757 1.00 0.00 C +ATOM 41 CA PRO A 41 248.567 261.970 243.558 1.00 0.00 C +ATOM 42 CA SER A 42 250.262 261.281 240.216 1.00 0.00 C +ATOM 43 CA GLY A 43 252.488 259.556 237.649 1.00 0.00 C +ATOM 44 CA PRO A 44 250.169 258.355 234.875 1.00 0.00 C +ATOM 45 CA THR A 45 249.387 255.428 232.565 1.00 0.00 C +ATOM 46 CA CYS A 46 248.731 251.974 231.097 1.00 0.00 C +ATOM 47 CA GLU A 47 247.572 252.494 227.505 1.00 0.00 C +ATOM 48 CA LYS A 48 243.843 252.574 226.725 1.00 0.00 C +ATOM 49 CA LYS A 49 240.681 254.191 228.103 1.00 0.00 C +ATOM 50 CA THR A 50 237.732 255.210 230.291 1.00 0.00 C +ATOM 51 CA TYR A 51 234.795 257.636 230.356 1.00 0.00 C +ATOM 52 CA SER A 52 233.730 260.025 227.586 1.00 0.00 C +ATOM 53 CA VAL A 53 233.976 263.562 228.981 1.00 0.00 C +ATOM 54 CA PRO A 54 236.397 266.332 227.990 1.00 0.00 C +ATOM 55 CA ALA A 55 234.572 268.480 225.426 1.00 0.00 C +TER 56 ALA A 55 +END diff --git a/Mammals/Q5RLQ9/Q5RLQ9.dcd b/Mammals/Q5RLQ9/Q5RLQ9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..fa698e5d27eb9ca672ff2cb9fc295d5fd9054a71 --- /dev/null +++ b/Mammals/Q5RLQ9/Q5RLQ9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:59ac8e183a862bf6556d0806fc67f94d152f95262315b65de0f4eb99dfcaf691 +size 4520276 diff --git a/Mammals/Q5RLQ9/top.pdb b/Mammals/Q5RLQ9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..52f70be48080da2abd71c9c812619a43de56a51b --- /dev/null +++ b/Mammals/Q5RLQ9/top.pdb @@ -0,0 +1,35 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA PRO A 1 241.413 247.424 236.496 1.00 0.00 C +ATOM 2 CA TYR A 2 244.519 245.575 235.290 1.00 0.00 C +ATOM 3 CA SER A 3 246.486 244.724 232.140 1.00 0.00 C +ATOM 4 CA PRO A 4 250.269 244.276 232.099 1.00 0.00 C +ATOM 5 CA SER A 5 252.544 241.599 233.572 1.00 0.00 C +ATOM 6 CA GLU A 6 255.659 242.244 235.669 1.00 0.00 C +ATOM 7 CA TYR A 7 259.103 242.063 237.289 1.00 0.00 C +ATOM 8 CA SER A 8 259.103 241.090 240.972 1.00 0.00 C +ATOM 9 CA LEU A 9 255.642 240.771 242.534 1.00 0.00 C +ATOM 10 CA GLN A 10 252.943 242.848 244.242 1.00 0.00 C +ATOM 11 CA GLN A 11 251.051 244.334 247.197 1.00 0.00 C +ATOM 12 CA THR A 12 247.342 244.752 246.434 1.00 0.00 C +ATOM 13 CA ARG A 13 243.911 246.121 245.499 1.00 0.00 C +ATOM 14 CA ASP A 14 242.968 249.808 245.330 1.00 0.00 C +ATOM 15 CA GLY A 15 242.839 252.047 242.250 1.00 0.00 C +ATOM 16 CA ASN A 16 241.735 255.666 242.695 1.00 0.00 C +ATOM 17 CA VAL A 17 240.223 257.708 245.535 1.00 0.00 C +ATOM 18 CA PHE A 18 241.758 258.631 248.898 1.00 0.00 C +ATOM 19 CA LEU A 19 244.912 256.819 250.032 1.00 0.00 C +ATOM 20 CA VAL A 20 247.585 258.111 252.419 1.00 0.00 C +ATOM 21 CA PRO A 21 251.302 257.955 253.243 1.00 0.00 C +ATOM 22 CA LYS A 22 253.454 258.855 256.255 1.00 0.00 C +ATOM 23 CA SER A 23 252.401 261.824 258.398 1.00 0.00 C +ATOM 24 CA LYS A 24 253.346 261.899 262.088 1.00 0.00 C +ATOM 25 CA LYS A 25 252.588 260.324 265.473 1.00 0.00 C +ATOM 26 CA PRO A 26 253.013 256.895 267.079 1.00 0.00 C +ATOM 27 CA ASP A 27 253.193 254.168 269.734 1.00 0.00 C +ATOM 28 CA VAL A 28 253.482 250.437 270.447 1.00 0.00 C +ATOM 29 CA LYS A 29 254.076 246.813 269.430 1.00 0.00 C +ATOM 30 CA LYS A 30 255.003 243.727 271.462 1.00 0.00 C +ATOM 31 CA ASN A 31 256.138 240.493 269.797 1.00 0.00 C +TER 32 ASN A 31 +END diff --git a/Mammals/Q5S4P0/Q5S4P0.dcd b/Mammals/Q5S4P0/Q5S4P0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b441679797619bcf0cee67a1320547730d889fdb --- /dev/null +++ b/Mammals/Q5S4P0/Q5S4P0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e9fb0a61f334dc9cd10df40857582ff7872a9cc32b0934cbedc786ecd34752a8 +size 5600276 diff --git a/Mammals/Q5S4P0/top.pdb b/Mammals/Q5S4P0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..99450fb3a862bfd8f4899ee5afdfa67ab99630a6 --- /dev/null +++ b/Mammals/Q5S4P0/top.pdb @@ -0,0 +1,44 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA CYS A 1 264.103 210.609 257.015 1.00 0.00 C +ATOM 2 CA ARG A 2 266.000 213.205 254.971 1.00 0.00 C +ATOM 3 CA ALA A 3 264.155 216.265 253.649 1.00 0.00 C +ATOM 4 CA GLN A 4 262.336 218.385 251.058 1.00 0.00 C +ATOM 5 CA LYS A 5 259.447 220.720 251.906 1.00 0.00 C +ATOM 6 CA ARG A 6 257.191 223.752 251.424 1.00 0.00 C +ATOM 7 CA ASP A 7 256.013 227.375 251.372 1.00 0.00 C +ATOM 8 CA PRO A 8 257.823 230.562 252.410 1.00 0.00 C +ATOM 9 CA SER A 9 258.323 231.728 256.003 1.00 0.00 C +ATOM 10 CA ARG A 10 255.589 233.412 258.054 1.00 0.00 C +ATOM 11 CA SER A 11 255.028 236.950 256.756 1.00 0.00 C +ATOM 12 CA HIS A 12 255.520 239.841 259.190 1.00 0.00 C +ATOM 13 CA GLU A 13 253.751 242.134 261.665 1.00 0.00 C +ATOM 14 CA VAL A 14 249.989 242.722 261.804 1.00 0.00 C +ATOM 15 CA SER A 15 247.205 244.897 260.378 1.00 0.00 C +ATOM 16 CA PRO A 16 245.488 245.971 257.151 1.00 0.00 C +ATOM 17 CA ALA A 17 245.486 249.233 255.182 1.00 0.00 C +ATOM 18 CA CYS A 18 245.394 253.026 255.530 1.00 0.00 C +ATOM 19 CA PRO A 19 241.882 254.412 256.042 1.00 0.00 C +ATOM 20 CA GLY A 20 239.422 256.482 253.997 1.00 0.00 C +ATOM 21 CA PRO A 21 236.541 257.871 256.068 1.00 0.00 C +ATOM 22 CA CYS A 22 234.334 260.821 255.097 1.00 0.00 C +ATOM 23 CA LEU A 23 232.489 263.769 253.541 1.00 0.00 C +ATOM 24 CA TRP A 24 235.020 266.187 252.037 1.00 0.00 C +ATOM 25 CA ARG A 25 237.087 264.664 249.222 1.00 0.00 C +ATOM 26 CA PRO A 26 240.740 264.327 250.248 1.00 0.00 C +ATOM 27 CA GLY A 27 242.653 266.781 252.446 1.00 0.00 C +ATOM 28 CA HIS A 28 243.515 270.394 253.294 1.00 0.00 C +ATOM 29 CA HIS A 29 246.218 271.645 250.919 1.00 0.00 C +ATOM 30 CA ARG A 30 249.881 270.945 250.136 1.00 0.00 C +ATOM 31 CA HIS A 31 250.063 270.091 246.427 1.00 0.00 C +ATOM 32 CA PRO A 32 249.249 266.727 244.834 1.00 0.00 C +ATOM 33 CA ASP A 33 248.717 263.429 243.002 1.00 0.00 C +ATOM 34 CA HIS A 34 248.854 261.668 239.626 1.00 0.00 C +ATOM 35 CA GLU A 35 248.397 264.159 236.780 1.00 0.00 C +ATOM 36 CA GLY A 36 250.372 265.944 234.055 1.00 0.00 C +ATOM 37 CA PRO A 37 253.516 266.869 232.111 1.00 0.00 C +ATOM 38 CA GLY A 38 255.772 266.702 229.046 1.00 0.00 C +ATOM 39 CA TYR A 39 256.395 263.200 227.678 1.00 0.00 C +ATOM 40 CA PRO A 40 260.045 262.126 227.875 1.00 0.00 C +TER 41 PRO A 40 +END diff --git a/Mammals/Q5SQG0/Q5SQG0.dcd b/Mammals/Q5SQG0/Q5SQG0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..6b292255e18f4df2b1a0a6d3228926da12fde6f7 --- /dev/null +++ b/Mammals/Q5SQG0/Q5SQG0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:abec079d3fdd82ff1a16ab4cbc39db54ea0c38cbfb6234696031f0f02cb25c25 +size 4520276 diff --git a/Mammals/Q5SQG0/top.pdb b/Mammals/Q5SQG0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..375c5fb19fbf2a75b0f5cf5348a31549c78bd425 --- /dev/null +++ b/Mammals/Q5SQG0/top.pdb @@ -0,0 +1,35 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 245.656 264.989 270.415 1.00 0.00 C +ATOM 2 CA ASN A 2 248.705 264.371 268.216 1.00 0.00 C +ATOM 3 CA LEU A 3 248.194 261.372 265.921 1.00 0.00 C +ATOM 4 CA VAL A 4 245.952 259.316 263.628 1.00 0.00 C +ATOM 5 CA GLY A 5 243.434 256.498 264.113 1.00 0.00 C +ATOM 6 CA SER A 6 240.223 256.750 262.078 1.00 0.00 C +ATOM 7 CA TYR A 7 237.537 255.535 259.664 1.00 0.00 C +ATOM 8 CA ALA A 8 239.003 252.990 257.237 1.00 0.00 C +ATOM 9 CA HIS A 9 242.155 251.583 255.624 1.00 0.00 C +ATOM 10 CA HIS A 10 245.449 251.917 253.739 1.00 0.00 C +ATOM 11 CA HIS A 11 245.596 252.378 249.960 1.00 0.00 C +ATOM 12 CA HIS A 12 244.363 249.840 247.401 1.00 0.00 C +ATOM 13 CA HIS A 13 246.379 246.622 247.719 1.00 0.00 C +ATOM 14 CA HIS A 14 249.380 247.531 249.882 1.00 0.00 C +ATOM 15 CA HIS A 15 252.724 246.383 251.302 1.00 0.00 C +ATOM 16 CA SER A 16 255.982 247.818 252.659 1.00 0.00 C +ATOM 17 CA HIS A 17 258.517 250.522 253.542 1.00 0.00 C +ATOM 18 CA PRO A 18 261.208 252.717 251.974 1.00 0.00 C +ATOM 19 CA PRO A 19 261.676 253.290 248.237 1.00 0.00 C +ATOM 20 CA HIS A 20 262.825 250.153 246.406 1.00 0.00 C +ATOM 21 CA PRO A 21 261.118 249.294 243.110 1.00 0.00 C +ATOM 22 CA MET A 22 258.276 251.083 241.309 1.00 0.00 C +ATOM 23 CA LEU A 23 257.499 250.093 237.713 1.00 0.00 C +ATOM 24 CA HIS A 24 256.398 246.896 235.957 1.00 0.00 C +ATOM 25 CA GLU A 25 254.003 244.719 237.966 1.00 0.00 C +ATOM 26 CA PRO A 26 251.992 244.306 241.176 1.00 0.00 C +ATOM 27 CA PHE A 27 249.243 242.107 242.633 1.00 0.00 C +ATOM 28 CA LEU A 28 249.546 238.531 241.352 1.00 0.00 C +ATOM 29 CA PHE A 29 246.928 236.200 239.860 1.00 0.00 C +ATOM 30 CA GLY A 30 245.978 236.915 236.240 1.00 0.00 C +ATOM 31 CA PRO A 31 244.062 237.281 232.967 1.00 0.00 C +TER 32 PRO A 31 +END diff --git a/Mammals/Q5SUW0/Q5SUW0.dcd b/Mammals/Q5SUW0/Q5SUW0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a55fcb798360e3851653634c5f2b840ac8ddd854 --- /dev/null +++ b/Mammals/Q5SUW0/Q5SUW0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4d6829c77857e21e91f30d987d89cf66b58fa8001b82c051bce5dc40ebfec3e6 +size 21320276 diff --git a/Mammals/Q5SUW0/top.pdb b/Mammals/Q5SUW0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f47808938d9acae51401fac5091312430b8dbff1 --- /dev/null +++ b/Mammals/Q5SUW0/top.pdb @@ -0,0 +1,175 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 273.104 268.551 293.408 1.00 0.00 C +ATOM 2 CA ASN A 2 272.255 265.000 292.319 1.00 0.00 C +ATOM 3 CA ASN A 3 271.621 262.013 294.598 1.00 0.00 C +ATOM 4 CA ASP A 4 270.674 259.961 297.665 1.00 0.00 C +ATOM 5 CA ILE A 5 268.435 259.404 300.697 1.00 0.00 C +ATOM 6 CA ASN A 6 269.752 260.597 304.067 1.00 0.00 C +ATOM 7 CA SER A 7 268.749 263.042 306.811 1.00 0.00 C +ATOM 8 CA SER A 8 271.392 263.204 309.550 1.00 0.00 C +ATOM 9 CA VAL A 9 269.963 264.619 312.786 1.00 0.00 C +ATOM 10 CA GLU A 10 266.291 263.603 312.746 1.00 0.00 C +ATOM 11 CA SER A 11 263.656 261.388 311.114 1.00 0.00 C +ATOM 12 CA LEU A 12 262.409 261.163 307.521 1.00 0.00 C +ATOM 13 CA ASN A 13 263.316 259.152 304.414 1.00 0.00 C +ATOM 14 CA SER A 14 262.377 255.484 304.834 1.00 0.00 C +ATOM 15 CA ALA A 15 259.303 253.550 305.987 1.00 0.00 C +ATOM 16 CA CYS A 16 255.533 253.375 305.466 1.00 0.00 C +ATOM 17 CA ASN A 17 252.133 252.975 303.793 1.00 0.00 C +ATOM 18 CA MET A 18 249.649 252.763 306.674 1.00 0.00 C +ATOM 19 CA GLN A 19 248.505 256.326 307.390 1.00 0.00 C +ATOM 20 CA SER A 20 248.232 258.799 310.276 1.00 0.00 C +ATOM 21 CA ASP A 21 249.862 261.430 312.497 1.00 0.00 C +ATOM 22 CA THR A 22 249.589 264.971 311.117 1.00 0.00 C +ATOM 23 CA ASP A 23 252.444 266.920 309.515 1.00 0.00 C +ATOM 24 CA THR A 24 254.161 265.036 306.684 1.00 0.00 C +ATOM 25 CA ALA A 25 255.108 266.259 303.202 1.00 0.00 C +ATOM 26 CA PRO A 26 257.100 269.009 301.473 1.00 0.00 C +ATOM 27 CA LEU A 27 258.483 271.852 299.347 1.00 0.00 C +ATOM 28 CA LEU A 28 260.698 274.365 297.532 1.00 0.00 C +ATOM 29 CA GLU A 29 259.028 277.299 295.765 1.00 0.00 C +ATOM 30 CA ASP A 30 260.231 280.786 294.812 1.00 0.00 C +ATOM 31 CA GLY A 31 262.420 283.446 293.185 1.00 0.00 C +ATOM 32 CA GLN A 32 262.926 284.237 289.492 1.00 0.00 C +ATOM 33 CA HIS A 33 264.529 281.642 287.210 1.00 0.00 C +ATOM 34 CA ALA A 34 264.212 277.847 287.097 1.00 0.00 C +ATOM 35 CA SER A 35 261.668 275.161 288.010 1.00 0.00 C +ATOM 36 CA ASN A 36 258.632 273.555 289.657 1.00 0.00 C +ATOM 37 CA GLN A 37 256.979 270.804 291.711 1.00 0.00 C +ATOM 38 CA GLY A 38 258.798 267.613 290.702 1.00 0.00 C +ATOM 39 CA ALA A 39 260.301 267.197 287.226 1.00 0.00 C +ATOM 40 CA ALA A 40 259.844 264.617 284.460 1.00 0.00 C +ATOM 41 CA SER A 41 257.731 263.223 281.612 1.00 0.00 C +ATOM 42 CA SER A 42 259.027 264.007 278.116 1.00 0.00 C +ATOM 43 CA SER A 43 261.151 262.479 275.346 1.00 0.00 C +ATOM 44 CA ARG A 44 260.636 261.791 271.634 1.00 0.00 C +ATOM 45 CA GLY A 45 263.119 259.433 269.964 1.00 0.00 C +ATOM 46 CA GLN A 46 265.658 257.370 268.011 1.00 0.00 C +ATOM 47 CA PRO A 47 264.651 253.810 267.102 1.00 0.00 C +ATOM 48 CA GLN A 48 265.857 250.217 266.708 1.00 0.00 C +ATOM 49 CA ALA A 49 265.725 247.958 263.643 1.00 0.00 C +ATOM 50 CA SER A 50 267.349 245.291 261.460 1.00 0.00 C +ATOM 51 CA PRO A 51 264.758 244.226 258.878 1.00 0.00 C +ATOM 52 CA ARG A 52 265.927 244.460 255.259 1.00 0.00 C +ATOM 53 CA GLN A 53 266.845 240.879 254.335 1.00 0.00 C +ATOM 54 CA LYS A 54 268.450 239.386 257.451 1.00 0.00 C +ATOM 55 CA MET A 55 269.960 239.209 260.944 1.00 0.00 C +ATOM 56 CA GLN A 56 272.930 241.254 262.173 1.00 0.00 C +ATOM 57 CA ARG A 57 274.986 239.881 265.073 1.00 0.00 C +ATOM 58 CA SER A 58 277.446 242.624 266.043 1.00 0.00 C +ATOM 59 CA GLN A 59 276.039 245.250 268.418 1.00 0.00 C +ATOM 60 CA PRO A 60 277.417 248.656 267.411 1.00 0.00 C +ATOM 61 CA VAL A 61 280.927 249.297 266.076 1.00 0.00 C +ATOM 62 CA HIS A 62 283.537 252.059 266.353 1.00 0.00 C +ATOM 63 CA ILE A 63 286.793 252.088 264.376 1.00 0.00 C +ATOM 64 CA LEU A 64 290.252 253.019 263.077 1.00 0.00 C +ATOM 65 CA ARG A 65 292.149 253.783 259.862 1.00 0.00 C +ATOM 66 CA ARG A 66 295.867 254.320 260.497 1.00 0.00 C +ATOM 67 CA LEU A 67 299.288 255.659 259.484 1.00 0.00 C +ATOM 68 CA GLN A 68 298.969 259.105 257.891 1.00 0.00 C +ATOM 69 CA GLU A 69 299.286 259.012 254.095 1.00 0.00 C +ATOM 70 CA GLU A 70 297.436 256.911 251.511 1.00 0.00 C +ATOM 71 CA ASP A 71 295.143 253.869 251.506 1.00 0.00 C +ATOM 72 CA GLN A 72 291.722 254.925 250.202 1.00 0.00 C +ATOM 73 CA GLN A 73 288.546 252.883 249.695 1.00 0.00 C +ATOM 74 CA LEU A 74 284.771 253.353 249.901 1.00 0.00 C +ATOM 75 CA ARG A 75 281.515 254.538 248.316 1.00 0.00 C +ATOM 76 CA THR A 76 279.451 257.709 247.872 1.00 0.00 C +ATOM 77 CA ALA A 77 275.649 257.941 247.770 1.00 0.00 C +ATOM 78 CA SER A 78 272.923 260.417 248.746 1.00 0.00 C +ATOM 79 CA LEU A 79 270.062 262.594 247.486 1.00 0.00 C +ATOM 80 CA PRO A 80 269.162 263.278 243.847 1.00 0.00 C +ATOM 81 CA ALA A 81 270.206 263.078 240.189 1.00 0.00 C +ATOM 82 CA ILE A 82 269.001 262.310 236.657 1.00 0.00 C +ATOM 83 CA PRO A 83 268.037 262.912 233.020 1.00 0.00 C +ATOM 84 CA ASN A 84 266.217 260.691 230.517 1.00 0.00 C +ATOM 85 CA PRO A 85 263.300 260.600 228.067 1.00 0.00 C +ATOM 86 CA PHE A 86 260.233 258.369 227.697 1.00 0.00 C +ATOM 87 CA PRO A 87 257.765 256.679 230.056 1.00 0.00 C +ATOM 88 CA GLU A 88 254.248 257.855 230.929 1.00 0.00 C +ATOM 89 CA LEU A 89 252.481 258.276 234.278 1.00 0.00 C +ATOM 90 CA THR A 90 249.809 260.948 234.763 1.00 0.00 C +ATOM 91 CA GLY A 91 247.730 263.998 235.708 1.00 0.00 C +ATOM 92 CA ALA A 92 248.889 267.538 236.509 1.00 0.00 C +ATOM 93 CA ALA A 93 248.229 270.719 238.500 1.00 0.00 C +ATOM 94 CA PRO A 94 250.552 273.734 238.671 1.00 0.00 C +ATOM 95 CA GLY A 95 252.740 274.730 235.715 1.00 0.00 C +ATOM 96 CA SER A 96 254.167 271.677 233.938 1.00 0.00 C +ATOM 97 CA PRO A 97 251.836 269.770 231.604 1.00 0.00 C +ATOM 98 CA PRO A 98 249.325 268.238 229.182 1.00 0.00 C +ATOM 99 CA SER A 99 246.738 266.038 227.455 1.00 0.00 C +ATOM 100 CA VAL A 100 244.490 268.501 225.611 1.00 0.00 C +ATOM 101 CA ALA A 101 241.336 270.638 225.578 1.00 0.00 C +ATOM 102 CA PRO A 102 239.916 270.482 229.110 1.00 0.00 C +ATOM 103 CA SER A 103 236.332 271.690 229.567 1.00 0.00 C +ATOM 104 CA SER A 104 236.363 273.868 232.692 1.00 0.00 C +ATOM 105 CA LEU A 105 237.446 271.893 235.765 1.00 0.00 C +ATOM 106 CA PRO A 106 240.572 270.274 237.221 1.00 0.00 C +ATOM 107 CA PRO A 107 241.890 267.011 238.682 1.00 0.00 C +ATOM 108 CA PRO A 108 243.663 266.768 242.045 1.00 0.00 C +ATOM 109 CA PRO A 109 241.727 264.838 244.699 1.00 0.00 C +ATOM 110 CA SER A 110 238.747 263.489 246.654 1.00 0.00 C +ATOM 111 CA GLN A 111 237.276 260.463 244.867 1.00 0.00 C +ATOM 112 CA PRO A 112 234.887 257.588 245.603 1.00 0.00 C +ATOM 113 CA PRO A 113 232.089 256.105 243.485 1.00 0.00 C +ATOM 114 CA ALA A 114 231.134 252.453 244.006 1.00 0.00 C +ATOM 115 CA LYS A 115 231.159 249.248 241.947 1.00 0.00 C +ATOM 116 CA HIS A 116 230.109 248.954 238.296 1.00 0.00 C +ATOM 117 CA PHE A 117 227.112 247.098 236.850 1.00 0.00 C +ATOM 118 CA PRO A 118 226.095 246.376 233.251 1.00 0.00 C +ATOM 119 CA PRO A 119 223.805 244.879 230.598 1.00 0.00 C +ATOM 120 CA GLY A 120 221.069 242.616 229.217 1.00 0.00 C +ATOM 121 CA PHE A 121 219.355 240.226 226.794 1.00 0.00 C +ATOM 122 CA GLN A 122 221.616 237.815 224.900 1.00 0.00 C +ATOM 123 CA LEU A 123 225.159 238.279 223.576 1.00 0.00 C +ATOM 124 CA SER A 124 226.872 239.593 220.437 1.00 0.00 C +ATOM 125 CA LYS A 125 226.420 243.264 219.524 1.00 0.00 C +ATOM 126 CA LEU A 126 224.678 246.432 218.321 1.00 0.00 C +ATOM 127 CA THR A 127 223.301 249.646 219.833 1.00 0.00 C +ATOM 128 CA ARG A 128 224.861 253.101 219.453 1.00 0.00 C +ATOM 129 CA PRO A 129 228.237 254.101 217.997 1.00 0.00 C +ATOM 130 CA GLY A 130 231.101 251.718 217.201 1.00 0.00 C +ATOM 131 CA LEU A 131 234.199 253.265 218.790 1.00 0.00 C +ATOM 132 CA TRP A 132 235.161 251.022 221.716 1.00 0.00 C +ATOM 133 CA THR A 133 232.943 249.080 224.130 1.00 0.00 C +ATOM 134 CA LYS A 134 232.434 246.391 226.780 1.00 0.00 C +ATOM 135 CA THR A 135 231.708 242.918 225.391 1.00 0.00 C +ATOM 136 CA THR A 136 233.372 239.491 225.428 1.00 0.00 C +ATOM 137 CA ALA A 137 232.353 235.914 224.600 1.00 0.00 C +ATOM 138 CA ARG A 138 230.692 233.646 227.171 1.00 0.00 C +ATOM 139 CA PHE A 139 229.640 230.269 225.754 1.00 0.00 C +ATOM 140 CA SER A 140 227.302 230.168 222.747 1.00 0.00 C +ATOM 141 CA LYS A 141 226.676 228.902 219.209 1.00 0.00 C +ATOM 142 CA LYS A 142 226.375 226.536 216.238 1.00 0.00 C +ATOM 143 CA GLN A 143 227.284 226.627 212.539 1.00 0.00 C +ATOM 144 CA PRO A 144 230.431 226.425 210.402 1.00 0.00 C +ATOM 145 CA LYS A 145 231.056 222.885 209.139 1.00 0.00 C +ATOM 146 CA ASN A 146 232.111 219.464 207.836 1.00 0.00 C +ATOM 147 CA GLN A 147 229.622 218.568 205.095 1.00 0.00 C +ATOM 148 CA CYS A 148 228.374 220.393 201.992 1.00 0.00 C +ATOM 149 CA PRO A 149 229.773 222.548 199.178 1.00 0.00 C +ATOM 150 CA THR A 150 227.143 223.017 196.462 1.00 0.00 C +ATOM 151 CA ASP A 151 224.064 223.523 194.276 1.00 0.00 C +ATOM 152 CA THR A 152 221.132 221.284 195.227 1.00 0.00 C +ATOM 153 CA VAL A 153 219.792 219.176 198.104 1.00 0.00 C +ATOM 154 CA ASN A 154 219.043 216.425 200.632 1.00 0.00 C +ATOM 155 CA PRO A 155 215.498 215.875 201.913 1.00 0.00 C +ATOM 156 CA VAL A 156 215.567 216.595 205.654 1.00 0.00 C +ATOM 157 CA ALA A 157 216.449 214.396 208.637 1.00 0.00 C +ATOM 158 CA ARG A 158 216.680 215.059 212.382 1.00 0.00 C +ATOM 159 CA MET A 159 214.867 216.270 215.506 1.00 0.00 C +ATOM 160 CA PRO A 160 213.385 213.618 217.806 1.00 0.00 C +ATOM 161 CA THR A 161 213.894 210.013 216.684 1.00 0.00 C +ATOM 162 CA SER A 162 214.261 206.319 215.826 1.00 0.00 C +ATOM 163 CA GLN A 163 216.562 206.120 212.796 1.00 0.00 C +ATOM 164 CA MET A 164 218.703 208.377 210.597 1.00 0.00 C +ATOM 165 CA GLU A 165 222.400 207.702 211.223 1.00 0.00 C +ATOM 166 CA LYS A 166 223.102 204.016 211.881 1.00 0.00 C +ATOM 167 CA LEU A 167 221.737 200.491 211.401 1.00 0.00 C +ATOM 168 CA ARG A 168 221.080 198.642 214.666 1.00 0.00 C +ATOM 169 CA LEU A 169 218.249 196.161 214.076 1.00 0.00 C +ATOM 170 CA ARG A 170 216.475 197.171 210.859 1.00 0.00 C +ATOM 171 CA LYS A 171 214.621 200.493 211.064 1.00 0.00 C +TER 172 LYS A 171 +END diff --git a/Mammals/Q5T142/Q5T142.dcd b/Mammals/Q5T142/Q5T142.dcd new file mode 100644 index 0000000000000000000000000000000000000000..6394309f6f5d08974b5a44ae1bdc669e213bf81c --- /dev/null +++ b/Mammals/Q5T142/Q5T142.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e599e69d3b36c73272100a7e4b7e904f9cec7658dedf828cce3da949f832d8aa +size 15440276 diff --git a/Mammals/Q5T142/top.pdb b/Mammals/Q5T142/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3dc75b863074e650eaa00f85fc31d8794d48ab09 --- /dev/null +++ b/Mammals/Q5T142/top.pdb @@ -0,0 +1,126 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 253.551 239.203 240.921 1.00 0.00 C +ATOM 2 CA LYS A 2 252.299 238.329 244.411 1.00 0.00 C +ATOM 3 CA GLU A 3 254.756 236.989 246.996 1.00 0.00 C +ATOM 4 CA GLU A 4 257.047 238.843 249.410 1.00 0.00 C +ATOM 5 CA SER A 5 260.735 239.680 249.873 1.00 0.00 C +ATOM 6 CA ALA A 6 263.894 238.091 248.453 1.00 0.00 C +ATOM 7 CA ALA A 7 264.924 236.730 245.047 1.00 0.00 C +ATOM 8 CA GLN A 8 263.177 235.807 241.790 1.00 0.00 C +ATOM 9 CA LEU A 9 259.964 234.021 240.788 1.00 0.00 C +ATOM 10 CA GLY A 10 257.997 230.827 240.122 1.00 0.00 C +ATOM 11 CA CYS A 11 254.595 229.293 239.352 1.00 0.00 C +ATOM 12 CA CYS A 12 251.765 228.802 241.856 1.00 0.00 C +ATOM 13 CA HIS A 13 249.015 230.961 243.370 1.00 0.00 C +ATOM 14 CA ARG A 14 246.227 230.214 245.856 1.00 0.00 C +ATOM 15 CA PRO A 15 244.660 226.865 244.933 1.00 0.00 C +ATOM 16 CA MET A 16 242.292 223.910 244.520 1.00 0.00 C +ATOM 17 CA ALA A 17 239.580 221.511 245.708 1.00 0.00 C +ATOM 18 CA LEU A 18 238.764 222.520 249.290 1.00 0.00 C +ATOM 19 CA GLY A 19 239.004 222.776 253.084 1.00 0.00 C +ATOM 20 CA GLY A 20 242.286 224.451 254.055 1.00 0.00 C +ATOM 21 CA THR A 21 244.552 226.247 251.574 1.00 0.00 C +ATOM 22 CA GLY A 22 246.520 223.529 249.770 1.00 0.00 C +ATOM 23 CA GLY A 23 249.783 222.897 247.907 1.00 0.00 C +ATOM 24 CA SER A 24 252.848 224.797 246.675 1.00 0.00 C +ATOM 25 CA LEU A 25 254.961 223.932 243.626 1.00 0.00 C +ATOM 26 CA SER A 26 252.617 222.590 240.939 1.00 0.00 C +ATOM 27 CA PRO A 27 251.914 221.721 237.297 1.00 0.00 C +ATOM 28 CA SER A 28 250.660 221.904 233.704 1.00 0.00 C +ATOM 29 CA LEU A 29 246.910 221.248 233.864 1.00 0.00 C +ATOM 30 CA ASP A 30 245.071 222.218 237.056 1.00 0.00 C +ATOM 31 CA PHE A 31 246.551 224.923 239.294 1.00 0.00 C +ATOM 32 CA GLN A 32 245.520 228.531 238.633 1.00 0.00 C +ATOM 33 CA LEU A 33 242.543 230.049 236.802 1.00 0.00 C +ATOM 34 CA PHE A 34 238.800 229.583 236.271 1.00 0.00 C +ATOM 35 CA ARG A 35 236.486 227.909 233.748 1.00 0.00 C +ATOM 36 CA GLY A 36 237.467 224.261 233.257 1.00 0.00 C +ATOM 37 CA ASP A 37 237.376 220.902 231.460 1.00 0.00 C +ATOM 38 CA GLN A 38 234.883 218.265 232.618 1.00 0.00 C +ATOM 39 CA SER A 39 232.290 217.759 235.364 1.00 0.00 C +ATOM 40 CA THR A 40 231.751 220.088 238.330 1.00 0.00 C +ATOM 41 CA SER A 41 229.047 222.671 237.602 1.00 0.00 C +ATOM 42 CA HIS A 42 229.667 226.324 236.715 1.00 0.00 C +ATOM 43 CA GLN A 43 229.763 230.132 236.806 1.00 0.00 C +ATOM 44 CA GLY A 44 226.815 232.181 235.531 1.00 0.00 C +ATOM 45 CA CYS A 45 223.244 230.913 235.926 1.00 0.00 C +ATOM 46 CA ARG A 46 220.108 231.837 233.969 1.00 0.00 C +ATOM 47 CA PRO A 47 218.383 235.014 235.172 1.00 0.00 C +ATOM 48 CA ALA A 48 219.430 235.722 238.766 1.00 0.00 C +ATOM 49 CA PRO A 49 219.643 234.578 242.394 1.00 0.00 C +ATOM 50 CA PRO A 50 222.247 235.758 244.912 1.00 0.00 C +ATOM 51 CA MET A 51 226.006 236.372 245.029 1.00 0.00 C +ATOM 52 CA THR A 52 228.004 237.072 248.197 1.00 0.00 C +ATOM 53 CA ARG A 53 231.392 238.606 247.370 1.00 0.00 C +ATOM 54 CA ASN A 54 234.410 238.028 249.621 1.00 0.00 C +ATOM 55 CA SER A 55 237.483 239.206 247.701 1.00 0.00 C +ATOM 56 CA GLN A 56 241.011 238.533 248.972 1.00 0.00 C +ATOM 57 CA SER A 57 243.629 237.766 246.313 1.00 0.00 C +ATOM 58 CA SER A 58 246.541 235.928 247.942 1.00 0.00 C +ATOM 59 CA THR A 59 249.069 234.922 250.610 1.00 0.00 C +ATOM 60 CA HIS A 60 252.100 233.365 252.312 1.00 0.00 C +ATOM 61 CA ARG A 61 254.247 235.649 254.478 1.00 0.00 C +ATOM 62 CA THR A 62 253.574 236.734 258.068 1.00 0.00 C +ATOM 63 CA ARG A 63 252.735 236.667 261.784 1.00 0.00 C +ATOM 64 CA THR A 64 252.100 239.179 264.577 1.00 0.00 C +ATOM 65 CA SER A 65 253.570 242.614 263.831 1.00 0.00 C +ATOM 66 CA TRP A 66 256.128 243.808 266.390 1.00 0.00 C +ATOM 67 CA GLU A 67 258.097 246.866 267.523 1.00 0.00 C +ATOM 68 CA ASN A 68 259.364 249.388 264.963 1.00 0.00 C +ATOM 69 CA SER A 69 257.335 252.290 263.557 1.00 0.00 C +ATOM 70 CA GLN A 70 253.730 251.089 263.284 1.00 0.00 C +ATOM 71 CA LYS A 71 250.503 252.607 261.944 1.00 0.00 C +ATOM 72 CA GLU A 72 249.439 256.221 261.378 1.00 0.00 C +ATOM 73 CA LEU A 73 246.500 258.532 260.641 1.00 0.00 C +ATOM 74 CA ALA A 74 245.146 259.617 257.250 1.00 0.00 C +ATOM 75 CA ARG A 75 244.381 263.345 257.447 1.00 0.00 C +ATOM 76 CA GLY A 76 242.454 266.467 256.420 1.00 0.00 C +ATOM 77 CA PRO A 77 244.147 269.674 257.588 1.00 0.00 C +ATOM 78 CA PRO A 78 243.143 273.294 256.953 1.00 0.00 C +ATOM 79 CA ALA A 79 246.059 275.236 255.455 1.00 0.00 C +ATOM 80 CA GLN A 80 249.247 277.317 255.615 1.00 0.00 C +ATOM 81 CA PRO A 81 249.817 279.314 258.809 1.00 0.00 C +ATOM 82 CA SER A 82 247.990 279.295 262.152 1.00 0.00 C +ATOM 83 CA PRO A 83 248.914 282.115 264.541 1.00 0.00 C +ATOM 84 CA LEU A 84 252.556 283.233 264.537 1.00 0.00 C +ATOM 85 CA ILE A 85 253.337 284.938 261.221 1.00 0.00 C +ATOM 86 CA THR A 86 255.563 285.112 258.133 1.00 0.00 C +ATOM 87 CA ALA A 87 254.921 288.433 256.380 1.00 0.00 C +ATOM 88 CA LEU A 88 252.510 291.029 254.978 1.00 0.00 C +ATOM 89 CA PRO A 89 249.754 292.798 256.925 1.00 0.00 C +ATOM 90 CA HIS A 90 250.336 295.232 259.798 1.00 0.00 C +ATOM 91 CA HIS A 91 252.759 293.691 262.303 1.00 0.00 C +ATOM 92 CA ARG A 92 255.657 295.877 263.460 1.00 0.00 C +ATOM 93 CA CYS A 93 258.325 297.477 261.260 1.00 0.00 C +ATOM 94 CA ARG A 94 259.034 296.730 257.592 1.00 0.00 C +ATOM 95 CA THR A 95 261.694 294.803 255.662 1.00 0.00 C +ATOM 96 CA GLU A 96 261.202 291.322 254.193 1.00 0.00 C +ATOM 97 CA ARG A 97 261.082 287.519 254.386 1.00 0.00 C +ATOM 98 CA ALA A 98 260.670 285.513 251.174 1.00 0.00 C +ATOM 99 CA PRO A 99 261.278 281.950 249.970 1.00 0.00 C +ATOM 100 CA ALA A 100 261.329 278.144 250.126 1.00 0.00 C +ATOM 101 CA PRO A 101 257.707 277.140 249.496 1.00 0.00 C +ATOM 102 CA TRP A 102 256.005 273.949 250.693 1.00 0.00 C +ATOM 103 CA LEU A 103 258.287 271.501 252.514 1.00 0.00 C +ATOM 104 CA SER A 104 261.621 270.315 253.926 1.00 0.00 C +ATOM 105 CA ALA A 105 264.609 268.046 254.594 1.00 0.00 C +ATOM 106 CA PRO A 106 263.504 264.605 253.387 1.00 0.00 C +ATOM 107 CA VAL A 107 263.018 261.013 252.216 1.00 0.00 C +ATOM 108 CA PRO A 108 263.232 258.362 254.944 1.00 0.00 C +ATOM 109 CA LEU A 109 262.613 255.449 257.320 1.00 0.00 C +ATOM 110 CA SER A 110 262.663 254.820 261.077 1.00 0.00 C +ATOM 111 CA THR A 111 262.901 257.875 263.343 1.00 0.00 C +ATOM 112 CA PRO A 112 266.062 259.812 262.464 1.00 0.00 C +ATOM 113 CA SER A 113 267.784 260.152 259.082 1.00 0.00 C +ATOM 114 CA PRO A 114 270.063 262.860 257.674 1.00 0.00 C +ATOM 115 CA ARG A 115 271.029 265.941 255.651 1.00 0.00 C +ATOM 116 CA SER A 116 269.700 265.530 252.104 1.00 0.00 C +ATOM 117 CA SER A 117 272.439 266.274 249.562 1.00 0.00 C +ATOM 118 CA HIS A 118 270.760 268.610 247.064 1.00 0.00 C +ATOM 119 CA PHE A 119 267.601 270.416 248.195 1.00 0.00 C +ATOM 120 CA SER A 120 265.473 273.487 248.939 1.00 0.00 C +ATOM 121 CA SER A 121 267.492 276.508 250.085 1.00 0.00 C +ATOM 122 CA THR A 122 270.784 278.116 249.040 1.00 0.00 C +TER 123 THR A 122 +END diff --git a/Mammals/Q5T1F3/Q5T1F3.dcd b/Mammals/Q5T1F3/Q5T1F3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c71e00845f865024c73c68e210b7001d8ceabe3c --- /dev/null +++ b/Mammals/Q5T1F3/Q5T1F3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:512d5de26e5712b17b073735636dae18a45c343266a465ffae4c220e0061dd0d +size 6320276 diff --git a/Mammals/Q5T1F3/top.pdb b/Mammals/Q5T1F3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..69ed4b6e5908777e461aa2b0463c6689c0e314b4 --- /dev/null +++ b/Mammals/Q5T1F3/top.pdb @@ -0,0 +1,50 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 255.312 235.189 254.889 1.00 0.00 C +ATOM 2 CA GLU A 2 257.065 237.558 252.475 1.00 0.00 C +ATOM 3 CA LEU A 3 255.316 240.913 252.917 1.00 0.00 C +ATOM 4 CA SER A 4 252.646 243.364 254.093 1.00 0.00 C +ATOM 5 CA ASP A 5 252.003 246.525 252.066 1.00 0.00 C +ATOM 6 CA SER A 6 252.598 248.459 248.837 1.00 0.00 C +ATOM 7 CA ASP A 7 255.541 250.513 247.560 1.00 0.00 C +ATOM 8 CA ARG A 8 258.382 253.013 247.117 1.00 0.00 C +ATOM 9 CA PRO A 9 259.764 255.944 249.121 1.00 0.00 C +ATOM 10 CA VAL A 10 260.046 259.111 251.221 1.00 0.00 C +ATOM 11 CA SER A 11 260.477 262.230 253.365 1.00 0.00 C +ATOM 12 CA PHE A 12 260.346 265.271 255.657 1.00 0.00 C +ATOM 13 CA GLY A 13 256.823 266.531 256.380 1.00 0.00 C +ATOM 14 CA SER A 14 253.227 265.969 257.506 1.00 0.00 C +ATOM 15 CA THR A 15 249.572 264.923 257.265 1.00 0.00 C +ATOM 16 CA SER A 16 246.325 266.638 256.247 1.00 0.00 C +ATOM 17 CA SER A 17 243.370 264.558 257.454 1.00 0.00 C +ATOM 18 CA SER A 18 242.906 261.347 259.452 1.00 0.00 C +ATOM 19 CA ALA A 19 240.393 260.343 262.133 1.00 0.00 C +ATOM 20 CA SER A 20 239.666 256.605 262.245 1.00 0.00 C +ATOM 21 CA SER A 21 241.602 253.540 261.072 1.00 0.00 C +ATOM 22 CA ARG A 22 239.866 250.250 261.893 1.00 0.00 C +ATOM 23 CA ASP A 23 241.857 247.080 262.601 1.00 0.00 C +ATOM 24 CA SER A 24 245.144 245.699 261.258 1.00 0.00 C +ATOM 25 CA HIS A 25 245.927 243.662 258.134 1.00 0.00 C +ATOM 26 CA GLY A 26 243.398 243.890 255.294 1.00 0.00 C +ATOM 27 CA SER A 27 239.915 243.095 253.968 1.00 0.00 C +ATOM 28 CA PHE A 28 237.876 245.648 252.008 1.00 0.00 C +ATOM 29 CA GLY A 29 238.666 245.996 248.297 1.00 0.00 C +ATOM 30 CA SER A 30 240.304 246.700 244.930 1.00 0.00 C +ATOM 31 CA ARG A 31 244.111 246.841 244.992 1.00 0.00 C +ATOM 32 CA MET A 32 246.543 248.666 242.697 1.00 0.00 C +ATOM 33 CA THR A 33 248.666 250.168 239.912 1.00 0.00 C +ATOM 34 CA LEU A 34 250.180 249.356 236.512 1.00 0.00 C +ATOM 35 CA VAL A 35 251.473 252.155 234.274 1.00 0.00 C +ATOM 36 CA SER A 36 255.144 251.808 233.313 1.00 0.00 C +ATOM 37 CA ASN A 37 257.091 252.613 236.488 1.00 0.00 C +ATOM 38 CA SER A 38 259.160 250.174 238.558 1.00 0.00 C +ATOM 39 CA HIS A 39 259.459 246.852 236.717 1.00 0.00 C +ATOM 40 CA MET A 40 258.160 243.882 238.719 1.00 0.00 C +ATOM 41 CA GLY A 41 254.631 243.734 240.147 1.00 0.00 C +ATOM 42 CA LEU A 42 252.368 244.179 243.180 1.00 0.00 C +ATOM 43 CA PHE A 43 250.165 241.812 245.195 1.00 0.00 C +ATOM 44 CA ASN A 44 249.882 238.987 247.736 1.00 0.00 C +ATOM 45 CA GLN A 45 249.035 235.321 248.330 1.00 0.00 C +ATOM 46 CA ASP A 46 247.598 232.886 245.776 1.00 0.00 C +TER 47 ASP A 46 +END diff --git a/Mammals/Q5T3T0/Q5T3T0.dcd b/Mammals/Q5T3T0/Q5T3T0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..cfcf5cc29e54cb02f9a25173f140bbc80864395f --- /dev/null +++ b/Mammals/Q5T3T0/Q5T3T0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7ac73c9b84ec12b88ea80373d6fe24818c181d0ef43b0d31dd019cadf431cd5d +size 5000276 diff --git a/Mammals/Q5T3T0/top.pdb b/Mammals/Q5T3T0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3556185135fce340445bee5cc14aca973a4e09ef --- /dev/null +++ b/Mammals/Q5T3T0/top.pdb @@ -0,0 +1,39 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 234.409 266.674 237.579 1.00 0.00 C +ATOM 2 CA ILE A 2 234.806 262.978 238.415 1.00 0.00 C +ATOM 3 CA GLU A 3 232.831 259.722 238.537 1.00 0.00 C +ATOM 4 CA LYS A 4 229.142 258.950 237.975 1.00 0.00 C +ATOM 5 CA MET A 5 228.659 255.871 235.785 1.00 0.00 C +ATOM 6 CA GLN A 6 231.695 254.393 234.021 1.00 0.00 C +ATOM 7 CA GLY A 7 234.316 251.724 234.746 1.00 0.00 C +ATOM 8 CA SER A 8 237.732 250.992 233.227 1.00 0.00 C +ATOM 9 CA ARG A 9 240.465 248.646 234.468 1.00 0.00 C +ATOM 10 CA MET A 10 242.850 247.499 237.209 1.00 0.00 C +ATOM 11 CA ASP A 11 244.480 244.308 238.502 1.00 0.00 C +ATOM 12 CA GLU A 12 244.556 243.924 242.292 1.00 0.00 C +ATOM 13 CA GLN A 13 243.917 240.941 244.574 1.00 0.00 C +ATOM 14 CA ARG A 14 242.344 239.829 247.861 1.00 0.00 C +ATOM 15 CA CYS A 15 242.823 236.168 248.805 1.00 0.00 C +ATOM 16 CA SER A 16 245.866 234.566 247.166 1.00 0.00 C +ATOM 17 CA PHE A 17 249.543 235.188 246.383 1.00 0.00 C +ATOM 18 CA PRO A 18 252.312 237.790 246.653 1.00 0.00 C +ATOM 19 CA PRO A 19 255.060 236.260 248.805 1.00 0.00 C +ATOM 20 CA PRO A 20 257.689 238.244 250.719 1.00 0.00 C +ATOM 21 CA LEU A 21 257.517 240.196 253.986 1.00 0.00 C +ATOM 22 CA LYS A 22 258.531 241.096 257.547 1.00 0.00 C +ATOM 23 CA THR A 23 260.762 242.715 260.176 1.00 0.00 C +ATOM 24 CA GLU A 24 263.822 244.051 258.340 1.00 0.00 C +ATOM 25 CA GLU A 25 264.931 246.905 256.072 1.00 0.00 C +ATOM 26 CA ASP A 26 265.378 250.354 254.516 1.00 0.00 C +ATOM 27 CA TYR A 27 264.088 253.747 255.673 1.00 0.00 C +ATOM 28 CA ILE A 28 265.680 255.178 258.825 1.00 0.00 C +ATOM 29 CA PRO A 29 267.146 257.948 260.991 1.00 0.00 C +ATOM 30 CA TYR A 30 266.266 260.473 263.705 1.00 0.00 C +ATOM 31 CA PRO A 31 263.772 261.240 266.482 1.00 0.00 C +ATOM 32 CA SER A 32 261.387 263.348 268.575 1.00 0.00 C +ATOM 33 CA VAL A 33 257.993 261.626 268.393 1.00 0.00 C +ATOM 34 CA HIS A 34 254.800 262.243 270.377 1.00 0.00 C +ATOM 35 CA GLU A 35 252.432 264.214 272.619 1.00 0.00 C +TER 36 GLU A 35 +END diff --git a/Mammals/Q5T5F5/Q5T5F5.dcd b/Mammals/Q5T5F5/Q5T5F5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..6a89e1e2043c3bd02797f0b2357441b65e389dc9 --- /dev/null +++ b/Mammals/Q5T5F5/Q5T5F5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ed5d7c30c77701aa6be470a4cc1150dd18ab00a3e52124241d7987c5522e1635 +size 16280276 diff --git a/Mammals/Q5T5F5/top.pdb b/Mammals/Q5T5F5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9c670ff1c0d7fd0c5a9b123be296736b904603e4 --- /dev/null +++ b/Mammals/Q5T5F5/top.pdb @@ -0,0 +1,133 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 267.543 253.984 298.692 1.00 0.00 C +ATOM 2 CA TRP A 2 268.060 255.862 295.417 1.00 0.00 C +ATOM 3 CA LEU A 3 266.586 256.880 292.055 1.00 0.00 C +ATOM 4 CA TRP A 4 267.109 257.657 288.362 1.00 0.00 C +ATOM 5 CA GLN A 5 270.825 257.445 287.549 1.00 0.00 C +ATOM 6 CA ASP A 6 272.645 258.459 290.738 1.00 0.00 C +ATOM 7 CA ILE A 7 274.232 261.864 291.379 1.00 0.00 C +ATOM 8 CA GLN A 8 274.217 265.230 289.595 1.00 0.00 C +ATOM 9 CA CYS A 9 273.561 267.961 287.020 1.00 0.00 C +ATOM 10 CA CYS A 10 272.236 271.082 285.283 1.00 0.00 C +ATOM 11 CA PRO A 11 274.371 272.387 282.409 1.00 0.00 C +ATOM 12 CA ALA A 12 275.613 269.289 280.572 1.00 0.00 C +ATOM 13 CA PRO A 13 274.943 267.063 277.553 1.00 0.00 C +ATOM 14 CA PRO A 14 273.887 265.501 274.243 1.00 0.00 C +ATOM 15 CA SER A 15 273.652 268.166 271.531 1.00 0.00 C +ATOM 16 CA ALA A 16 272.985 268.835 267.840 1.00 0.00 C +ATOM 17 CA PRO A 17 269.475 268.156 266.523 1.00 0.00 C +ATOM 18 CA PRO A 18 267.991 266.242 263.581 1.00 0.00 C +ATOM 19 CA ARG A 19 269.498 263.039 262.171 1.00 0.00 C +ATOM 20 CA ALA A 20 273.279 263.501 262.091 1.00 0.00 C +ATOM 21 CA LEU A 21 274.857 261.646 265.021 1.00 0.00 C +ATOM 22 CA GLU A 22 272.639 261.128 268.076 1.00 0.00 C +ATOM 23 CA PRO A 23 268.834 261.225 267.923 1.00 0.00 C +ATOM 24 CA GLY A 24 265.741 259.972 266.084 1.00 0.00 C +ATOM 25 CA ARG A 25 263.033 261.334 263.775 1.00 0.00 C +ATOM 26 CA ALA A 26 259.430 261.538 262.554 1.00 0.00 C +ATOM 27 CA PRO A 27 256.794 264.146 263.429 1.00 0.00 C +ATOM 28 CA PRO A 28 253.050 263.444 263.372 1.00 0.00 C +ATOM 29 CA PRO A 29 251.089 261.967 266.286 1.00 0.00 C +ATOM 30 CA PRO A 30 248.330 264.467 267.091 1.00 0.00 C +ATOM 31 CA GLY A 31 245.146 266.434 266.375 1.00 0.00 C +ATOM 32 CA GLU A 32 242.055 264.829 264.831 1.00 0.00 C +ATOM 33 CA GLY A 33 240.853 264.017 261.308 1.00 0.00 C +ATOM 34 CA LEU A 34 242.916 263.266 258.195 1.00 0.00 C +ATOM 35 CA GLY A 35 242.975 260.025 256.193 1.00 0.00 C +ATOM 36 CA ALA A 36 245.200 257.544 254.346 1.00 0.00 C +ATOM 37 CA GLY A 37 243.171 254.930 252.456 1.00 0.00 C +ATOM 38 CA ILE A 38 245.554 253.389 249.914 1.00 0.00 C +ATOM 39 CA PRO A 39 246.151 254.704 246.389 1.00 0.00 C +ATOM 40 CA SER A 40 247.796 258.129 246.669 1.00 0.00 C +ATOM 41 CA LEU A 41 248.563 261.570 245.223 1.00 0.00 C +ATOM 42 CA SER A 42 249.877 264.124 247.726 1.00 0.00 C +ATOM 43 CA PRO A 43 252.900 266.354 247.091 1.00 0.00 C +ATOM 44 CA PRO A 44 253.283 268.286 243.829 1.00 0.00 C +ATOM 45 CA GLN A 45 252.317 269.744 240.444 1.00 0.00 C +ATOM 46 CA LYS A 46 250.478 273.075 240.247 1.00 0.00 C +ATOM 47 CA LYS A 47 247.259 272.579 242.224 1.00 0.00 C +ATOM 48 CA PRO A 48 244.381 274.034 240.194 1.00 0.00 C +ATOM 49 CA GLN A 49 240.720 275.069 240.403 1.00 0.00 C +ATOM 50 CA SER A 50 237.525 273.342 241.554 1.00 0.00 C +ATOM 51 CA VAL A 51 236.529 269.796 242.529 1.00 0.00 C +ATOM 52 CA GLY A 52 233.018 269.656 244.004 1.00 0.00 C +ATOM 53 CA ILE A 53 230.653 267.684 246.247 1.00 0.00 C +ATOM 54 CA CYS A 54 232.510 265.792 248.983 1.00 0.00 C +ATOM 55 CA VAL A 55 236.070 266.783 249.913 1.00 0.00 C +ATOM 56 CA ARG A 56 237.479 270.314 250.164 1.00 0.00 C +ATOM 57 CA GLN A 57 238.844 272.550 252.931 1.00 0.00 C +ATOM 58 CA LYS A 58 238.409 274.014 256.421 1.00 0.00 C +ATOM 59 CA GLY A 59 236.326 271.707 258.624 1.00 0.00 C +ATOM 60 CA ARG A 60 232.807 270.830 259.793 1.00 0.00 C +ATOM 61 CA GLN A 61 231.314 268.253 257.417 1.00 0.00 C +ATOM 62 CA LYS A 62 232.716 264.861 258.440 1.00 0.00 C +ATOM 63 CA ALA A 63 236.016 264.319 256.615 1.00 0.00 C +ATOM 64 CA GLY A 64 236.622 261.657 253.957 1.00 0.00 C +ATOM 65 CA LEU A 65 236.721 257.849 253.906 1.00 0.00 C +ATOM 66 CA GLU A 66 235.127 256.814 257.208 1.00 0.00 C +ATOM 67 CA LYS A 67 234.624 254.616 260.280 1.00 0.00 C +ATOM 68 CA GLY A 68 235.446 256.864 263.244 1.00 0.00 C +ATOM 69 CA ASN A 69 238.950 257.094 264.722 1.00 0.00 C +ATOM 70 CA ARG A 70 239.632 257.630 268.432 1.00 0.00 C +ATOM 71 CA LYS A 71 242.323 255.730 270.348 1.00 0.00 C +ATOM 72 CA LYS A 72 244.573 257.043 273.128 1.00 0.00 C +ATOM 73 CA GLU A 73 247.797 259.055 272.852 1.00 0.00 C +ATOM 74 CA LEU A 74 251.607 259.086 272.891 1.00 0.00 C +ATOM 75 CA ARG A 75 254.701 257.645 271.199 1.00 0.00 C +ATOM 76 CA GLN A 76 254.855 253.929 270.370 1.00 0.00 C +ATOM 77 CA ALA A 77 253.021 251.969 267.665 1.00 0.00 C +ATOM 78 CA ASN A 78 251.059 249.982 265.073 1.00 0.00 C +ATOM 79 CA CYS A 79 247.825 248.029 265.567 1.00 0.00 C +ATOM 80 CA PRO A 80 247.119 244.912 263.493 1.00 0.00 C +ATOM 81 CA SER A 81 247.722 245.467 259.773 1.00 0.00 C +ATOM 82 CA LEU A 82 248.592 246.128 256.123 1.00 0.00 C +ATOM 83 CA ARG A 83 245.533 247.195 254.119 1.00 0.00 C +ATOM 84 CA PRO A 84 242.337 245.121 254.099 1.00 0.00 C +ATOM 85 CA GLN A 85 243.054 241.566 252.932 1.00 0.00 C +ATOM 86 CA ARG A 86 241.631 238.089 252.296 1.00 0.00 C +ATOM 87 CA LYS A 87 243.227 234.720 251.509 1.00 0.00 C +ATOM 88 CA GLY A 88 243.947 230.979 251.488 1.00 0.00 C +ATOM 89 CA ALA A 89 241.808 228.970 249.059 1.00 0.00 C +ATOM 90 CA ASP A 90 243.507 227.565 245.951 1.00 0.00 C +ATOM 91 CA THR A 91 246.600 226.032 244.338 1.00 0.00 C +ATOM 92 CA ARG A 92 247.653 224.868 240.866 1.00 0.00 C +ATOM 93 CA ARG A 93 244.726 224.643 238.437 1.00 0.00 C +ATOM 94 CA LEU A 94 243.869 221.633 236.265 1.00 0.00 C +ATOM 95 CA PRO A 95 244.815 220.259 232.839 1.00 0.00 C +ATOM 96 CA ARG A 96 243.705 222.527 229.986 1.00 0.00 C +ATOM 97 CA GLU A 97 244.639 221.983 226.333 1.00 0.00 C +ATOM 98 CA THR A 98 247.369 220.722 223.993 1.00 0.00 C +ATOM 99 CA ARG A 99 250.787 219.626 225.271 1.00 0.00 C +ATOM 100 CA PRO A 100 254.376 218.741 224.347 1.00 0.00 C +ATOM 101 CA THR A 101 257.842 218.972 225.912 1.00 0.00 C +ATOM 102 CA LYS A 102 260.261 218.837 228.852 1.00 0.00 C +ATOM 103 CA LYS A 103 259.943 218.084 232.574 1.00 0.00 C +ATOM 104 CA ARG A 104 258.365 221.195 234.106 1.00 0.00 C +ATOM 105 CA THR A 105 257.990 224.900 233.303 1.00 0.00 C +ATOM 106 CA ALA A 106 254.535 225.856 232.013 1.00 0.00 C +ATOM 107 CA ALA A 107 252.645 228.709 233.689 1.00 0.00 C +ATOM 108 CA ALA A 108 249.361 228.884 235.612 1.00 0.00 C +ATOM 109 CA GLN A 109 246.738 230.601 233.447 1.00 0.00 C +ATOM 110 CA PRO A 110 247.597 233.451 231.069 1.00 0.00 C +ATOM 111 CA PHE A 111 248.348 234.076 227.386 1.00 0.00 C +ATOM 112 CA LEU A 112 247.131 236.821 225.041 1.00 0.00 C +ATOM 113 CA GLN A 113 245.743 240.368 225.148 1.00 0.00 C +ATOM 114 CA LEU A 114 244.076 243.678 224.262 1.00 0.00 C +ATOM 115 CA TRP A 115 240.856 242.872 222.393 1.00 0.00 C +ATOM 116 CA ASN A 116 241.168 239.464 220.719 1.00 0.00 C +ATOM 117 CA PRO A 117 238.568 236.829 219.815 1.00 0.00 C +ATOM 118 CA ALA A 118 239.995 233.377 219.061 1.00 0.00 C +ATOM 119 CA PRO A 119 238.864 230.588 216.724 1.00 0.00 C +ATOM 120 CA HIS A 120 239.504 228.375 213.689 1.00 0.00 C +ATOM 121 CA THR A 121 241.011 225.807 211.312 1.00 0.00 C +ATOM 122 CA SER A 122 243.629 223.753 209.457 1.00 0.00 C +ATOM 123 CA ASN A 123 241.678 221.812 206.822 1.00 0.00 C +ATOM 124 CA GLY A 124 243.979 219.169 205.324 1.00 0.00 C +ATOM 125 CA ARG A 125 244.451 220.235 201.697 1.00 0.00 C +ATOM 126 CA THR A 126 246.781 221.818 199.132 1.00 0.00 C +ATOM 127 CA GLY A 127 245.348 223.588 196.077 1.00 0.00 C +ATOM 128 CA ASP A 128 246.763 221.652 193.116 1.00 0.00 C +ATOM 129 CA LEU A 129 246.609 218.019 191.979 1.00 0.00 C +TER 130 LEU A 129 +END diff --git a/Mammals/Q5TAQ5/Q5TAQ5.dcd b/Mammals/Q5TAQ5/Q5TAQ5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..bb84111d4fa7fc7a54c0d37d69889b1332967e62 --- /dev/null +++ b/Mammals/Q5TAQ5/Q5TAQ5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:349b24ceb96aa55c04e2571b39d953262d3787159aff4b2cd7fe3c5711f83fbf +size 13880276 diff --git a/Mammals/Q5TAQ5/top.pdb b/Mammals/Q5TAQ5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..541abe536ad960a5da996a80d8a589b5496de8e2 --- /dev/null +++ b/Mammals/Q5TAQ5/top.pdb @@ -0,0 +1,113 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 226.413 257.673 177.505 1.00 0.00 C +ATOM 2 CA SER A 2 226.602 259.106 173.980 1.00 0.00 C +ATOM 3 CA SER A 3 224.236 262.091 173.903 1.00 0.00 C +ATOM 4 CA LYS A 4 222.739 264.050 176.807 1.00 0.00 C +ATOM 5 CA GLY A 5 221.919 262.534 180.205 1.00 0.00 C +ATOM 6 CA SER A 6 223.482 260.599 183.091 1.00 0.00 C +ATOM 7 CA SER A 7 222.010 259.669 186.480 1.00 0.00 C +ATOM 8 CA THR A 8 220.317 259.208 189.862 1.00 0.00 C +ATOM 9 CA ASP A 9 216.531 258.914 189.558 1.00 0.00 C +ATOM 10 CA GLY A 10 214.295 261.839 190.539 1.00 0.00 C +ATOM 11 CA ARG A 11 213.645 261.533 194.281 1.00 0.00 C +ATOM 12 CA THR A 12 216.325 259.202 195.658 1.00 0.00 C +ATOM 13 CA ASP A 13 216.958 255.634 196.835 1.00 0.00 C +ATOM 14 CA LEU A 14 218.576 253.062 199.134 1.00 0.00 C +ATOM 15 CA ALA A 15 219.015 253.232 202.914 1.00 0.00 C +ATOM 16 CA ASN A 16 219.647 254.281 206.522 1.00 0.00 C +ATOM 17 CA GLY A 17 218.023 252.779 209.624 1.00 0.00 C +ATOM 18 CA SER A 18 220.774 250.923 211.496 1.00 0.00 C +ATOM 19 CA LEU A 19 220.188 248.925 214.687 1.00 0.00 C +ATOM 20 CA SER A 20 221.190 249.289 218.344 1.00 0.00 C +ATOM 21 CA SER A 21 222.876 246.014 219.321 1.00 0.00 C +ATOM 22 CA SER A 22 223.330 245.903 223.102 1.00 0.00 C +ATOM 23 CA PRO A 23 220.687 245.158 225.743 1.00 0.00 C +ATOM 24 CA GLU A 24 218.127 242.602 224.550 1.00 0.00 C +ATOM 25 CA GLU A 25 217.022 239.277 223.052 1.00 0.00 C +ATOM 26 CA MET A 26 217.365 235.483 223.027 1.00 0.00 C +ATOM 27 CA SER A 27 218.428 234.302 226.490 1.00 0.00 C +ATOM 28 CA GLY A 28 220.803 235.105 229.359 1.00 0.00 C +ATOM 29 CA ALA A 29 223.135 238.117 229.346 1.00 0.00 C +ATOM 30 CA GLU A 30 223.948 240.400 232.286 1.00 0.00 C +ATOM 31 CA GLU A 31 222.512 243.659 233.640 1.00 0.00 C +ATOM 32 CA GLY A 32 219.195 243.672 235.514 1.00 0.00 C +ATOM 33 CA ARG A 33 219.750 243.008 239.224 1.00 0.00 C +ATOM 34 CA GLU A 34 223.185 241.885 240.432 1.00 0.00 C +ATOM 35 CA THR A 35 225.662 241.021 243.195 1.00 0.00 C +ATOM 36 CA SER A 36 229.371 241.858 243.444 1.00 0.00 C +ATOM 37 CA SER A 37 231.692 244.523 244.867 1.00 0.00 C +ATOM 38 CA GLY A 38 235.052 243.032 245.867 1.00 0.00 C +ATOM 39 CA ILE A 39 235.270 239.348 244.921 1.00 0.00 C +ATOM 40 CA GLU A 40 238.475 237.310 244.619 1.00 0.00 C +ATOM 41 CA VAL A 41 241.770 236.827 246.471 1.00 0.00 C +ATOM 42 CA GLU A 42 241.325 236.974 250.252 1.00 0.00 C +ATOM 43 CA ALA A 43 243.432 239.668 251.931 1.00 0.00 C +ATOM 44 CA SER A 44 244.037 243.396 251.427 1.00 0.00 C +ATOM 45 CA ASP A 45 241.379 245.584 253.059 1.00 0.00 C +ATOM 46 CA LEU A 46 242.077 245.688 256.803 1.00 0.00 C +ATOM 47 CA SER A 47 242.222 248.621 259.230 1.00 0.00 C +ATOM 48 CA LEU A 48 244.954 250.655 260.937 1.00 0.00 C +ATOM 49 CA SER A 49 246.772 253.875 261.859 1.00 0.00 C +ATOM 50 CA LEU A 50 249.298 252.995 264.572 1.00 0.00 C +ATOM 51 CA THR A 51 250.453 249.372 264.805 1.00 0.00 C +ATOM 52 CA GLY A 52 253.495 247.113 265.208 1.00 0.00 C +ATOM 53 CA ASP A 53 253.478 245.491 268.655 1.00 0.00 C +ATOM 54 CA ASP A 54 255.732 246.825 271.421 1.00 0.00 C +ATOM 55 CA GLY A 55 254.203 250.137 272.521 1.00 0.00 C +ATOM 56 CA GLY A 56 253.992 252.882 275.154 1.00 0.00 C +ATOM 57 CA PRO A 57 252.968 254.056 278.631 1.00 0.00 C +ATOM 58 CA ASN A 58 250.555 253.785 281.567 1.00 0.00 C +ATOM 59 CA ARG A 59 247.295 252.175 282.702 1.00 0.00 C +ATOM 60 CA THR A 60 244.264 251.240 280.591 1.00 0.00 C +ATOM 61 CA SER A 61 244.535 249.055 277.482 1.00 0.00 C +ATOM 62 CA THR A 62 245.237 248.274 273.819 1.00 0.00 C +ATOM 63 CA GLU A 63 245.018 250.155 270.513 1.00 0.00 C +ATOM 64 CA SER A 64 244.376 253.908 270.642 1.00 0.00 C +ATOM 65 CA ARG A 65 244.551 254.959 274.300 1.00 0.00 C +ATOM 66 CA GLY A 66 244.805 257.645 276.990 1.00 0.00 C +ATOM 67 CA THR A 67 247.048 260.611 276.159 1.00 0.00 C +ATOM 68 CA ASP A 68 250.810 260.861 275.611 1.00 0.00 C +ATOM 69 CA THR A 69 252.713 262.166 272.579 1.00 0.00 C +ATOM 70 CA GLU A 70 251.731 260.517 269.287 1.00 0.00 C +ATOM 71 CA SER A 71 255.059 259.860 267.552 1.00 0.00 C +ATOM 72 CA SER A 72 258.046 260.501 265.276 1.00 0.00 C +ATOM 73 CA GLY A 73 261.850 260.299 265.315 1.00 0.00 C +ATOM 74 CA GLU A 74 265.296 260.390 266.939 1.00 0.00 C +ATOM 75 CA ASP A 75 268.754 259.346 265.729 1.00 0.00 C +ATOM 76 CA LYS A 76 270.950 256.642 264.185 1.00 0.00 C +ATOM 77 CA ASP A 77 270.888 253.176 262.604 1.00 0.00 C +ATOM 78 CA SER A 78 273.000 250.131 261.720 1.00 0.00 C +ATOM 79 CA ASP A 79 275.105 247.121 262.735 1.00 0.00 C +ATOM 80 CA SER A 80 277.722 245.887 260.257 1.00 0.00 C +ATOM 81 CA MET A 81 281.304 247.069 260.796 1.00 0.00 C +ATOM 82 CA GLU A 82 281.127 250.669 262.031 1.00 0.00 C +ATOM 83 CA ASP A 83 281.086 253.526 264.552 1.00 0.00 C +ATOM 84 CA THR A 84 277.641 253.284 266.160 1.00 0.00 C +ATOM 85 CA GLY A 85 278.018 254.351 269.798 1.00 0.00 C +ATOM 86 CA HIS A 86 281.191 255.759 271.369 1.00 0.00 C +ATOM 87 CA TYR A 87 283.082 259.063 271.218 1.00 0.00 C +ATOM 88 CA SER A 88 283.723 261.431 274.133 1.00 0.00 C +ATOM 89 CA ILE A 89 286.350 260.659 276.782 1.00 0.00 C +ATOM 90 CA ASN A 90 288.519 258.147 278.654 1.00 0.00 C +ATOM 91 CA ASP A 91 291.926 256.453 278.447 1.00 0.00 C +ATOM 92 CA GLU A 92 294.894 254.759 280.130 1.00 0.00 C +ATOM 93 CA ASN A 93 294.128 251.430 281.819 1.00 0.00 C +ATOM 94 CA ARG A 94 290.440 250.477 281.765 1.00 0.00 C +ATOM 95 CA VAL A 95 289.746 249.593 278.125 1.00 0.00 C +ATOM 96 CA HIS A 96 289.329 247.251 275.149 1.00 0.00 C +ATOM 97 CA ASP A 97 285.760 245.957 275.478 1.00 0.00 C +ATOM 98 CA ARG A 98 283.235 245.978 278.331 1.00 0.00 C +ATOM 99 CA SER A 99 284.857 247.518 281.415 1.00 0.00 C +ATOM 100 CA GLU A 100 283.143 249.004 284.477 1.00 0.00 C +ATOM 101 CA GLU A 101 281.854 247.661 287.801 1.00 0.00 C +ATOM 102 CA GLU A 102 279.120 245.017 287.572 1.00 0.00 C +ATOM 103 CA GLU A 103 280.576 241.501 287.758 1.00 0.00 C +ATOM 104 CA GLU A 104 283.281 240.855 285.154 1.00 0.00 C +ATOM 105 CA GLU A 105 286.311 239.267 283.478 1.00 0.00 C +ATOM 106 CA GLU A 106 284.931 237.281 280.534 1.00 0.00 C +ATOM 107 CA GLU A 107 282.549 237.612 277.579 1.00 0.00 C +ATOM 108 CA GLU A 108 284.124 236.167 274.426 1.00 0.00 C +ATOM 109 CA GLU A 109 287.788 237.179 274.161 1.00 0.00 C +TER 110 GLU A 109 +END diff --git a/Mammals/Q5TB25/Q5TB25.dcd b/Mammals/Q5TB25/Q5TB25.dcd new file mode 100644 index 0000000000000000000000000000000000000000..0d1bfd82defd4ff71abad44a21bb41660ffa7528 --- /dev/null +++ b/Mammals/Q5TB25/Q5TB25.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f0677403c4a439d407ee5f7b2234ae9c095eabb4a7cf68048f6a492612aaedc8 +size 17120276 diff --git a/Mammals/Q5TB25/top.pdb b/Mammals/Q5TB25/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..00889f56f08251015282dda73c8cbb737b38d0ef --- /dev/null +++ b/Mammals/Q5TB25/top.pdb @@ -0,0 +1,140 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 247.636 194.265 251.680 1.00 0.00 C +ATOM 2 CA GLU A 2 247.818 195.901 248.244 1.00 0.00 C +ATOM 3 CA MET A 3 249.140 199.465 248.493 1.00 0.00 C +ATOM 4 CA LYS A 4 248.107 203.121 248.198 1.00 0.00 C +ATOM 5 CA LYS A 5 247.282 206.728 249.103 1.00 0.00 C +ATOM 6 CA LYS A 6 248.277 210.180 250.372 1.00 0.00 C +ATOM 7 CA ILE A 7 247.099 213.796 250.608 1.00 0.00 C +ATOM 8 CA ASN A 8 244.887 216.893 250.421 1.00 0.00 C +ATOM 9 CA LEU A 9 242.730 217.387 253.523 1.00 0.00 C +ATOM 10 CA GLU A 10 244.513 215.932 256.559 1.00 0.00 C +ATOM 11 CA LEU A 11 248.211 216.525 255.858 1.00 0.00 C +ATOM 12 CA ARG A 12 250.606 217.523 258.648 1.00 0.00 C +ATOM 13 CA ASN A 13 253.097 216.633 261.390 1.00 0.00 C +ATOM 14 CA ARG A 14 256.587 216.078 259.967 1.00 0.00 C +ATOM 15 CA SER A 15 259.468 213.717 260.768 1.00 0.00 C +ATOM 16 CA PRO A 16 262.528 215.080 262.582 1.00 0.00 C +ATOM 17 CA GLU A 17 265.403 215.576 260.131 1.00 0.00 C +ATOM 18 CA GLU A 18 266.524 216.872 256.728 1.00 0.00 C +ATOM 19 CA GLU A 19 266.323 218.891 253.504 1.00 0.00 C +ATOM 20 CA ASP A 20 265.907 222.462 252.242 1.00 0.00 C +ATOM 21 CA ASN A 21 265.922 226.031 253.576 1.00 0.00 C +ATOM 22 CA GLU A 22 263.902 226.579 256.760 1.00 0.00 C +ATOM 23 CA ALA A 23 263.277 229.276 259.378 1.00 0.00 C +ATOM 24 CA PRO A 24 262.341 229.410 263.069 1.00 0.00 C +ATOM 25 CA ASP A 25 263.307 232.099 265.589 1.00 0.00 C +ATOM 26 CA SER A 26 260.910 233.679 268.094 1.00 0.00 C +ATOM 27 CA GLU A 27 259.750 232.015 271.319 1.00 0.00 C +ATOM 28 CA GLU A 28 257.324 233.833 273.626 1.00 0.00 C +ATOM 29 CA GLU A 29 254.174 234.473 275.673 1.00 0.00 C +ATOM 30 CA ASP A 30 250.407 234.760 276.163 1.00 0.00 C +ATOM 31 CA ASP A 31 248.132 232.372 274.255 1.00 0.00 C +ATOM 32 CA GLU A 32 245.149 230.416 272.916 1.00 0.00 C +ATOM 33 CA ASP A 33 245.045 230.664 269.115 1.00 0.00 C +ATOM 34 CA GLY A 34 243.992 232.882 266.202 1.00 0.00 C +ATOM 35 CA ASP A 35 244.675 234.307 262.735 1.00 0.00 C +ATOM 36 CA GLU A 36 242.338 234.225 259.728 1.00 0.00 C +ATOM 37 CA ASP A 37 241.190 234.917 256.161 1.00 0.00 C +ATOM 38 CA ASP A 38 240.260 234.512 252.489 1.00 0.00 C +ATOM 39 CA GLU A 39 239.210 233.954 248.869 1.00 0.00 C +ATOM 40 CA GLU A 40 238.421 236.770 246.426 1.00 0.00 C +ATOM 41 CA GLU A 41 238.928 239.041 243.410 1.00 0.00 C +ATOM 42 CA GLU A 42 236.970 241.781 241.628 1.00 0.00 C +ATOM 43 CA GLU A 43 233.445 240.874 240.503 1.00 0.00 C +ATOM 44 CA ASN A 44 230.343 243.012 241.074 1.00 0.00 C +ATOM 45 CA GLU A 45 227.924 243.785 243.914 1.00 0.00 C +ATOM 46 CA ALA A 46 228.159 247.187 245.612 1.00 0.00 C +ATOM 47 CA GLY A 47 227.262 249.591 248.428 1.00 0.00 C +ATOM 48 CA PRO A 48 225.847 249.845 251.957 1.00 0.00 C +ATOM 49 CA PRO A 49 225.987 249.061 255.683 1.00 0.00 C +ATOM 50 CA GLU A 50 223.088 248.029 257.930 1.00 0.00 C +ATOM 51 CA GLY A 51 219.643 246.529 257.303 1.00 0.00 C +ATOM 52 CA TYR A 52 217.433 246.463 254.199 1.00 0.00 C +ATOM 53 CA GLU A 53 213.846 247.749 254.200 1.00 0.00 C +ATOM 54 CA GLU A 54 212.267 251.141 253.482 1.00 0.00 C +ATOM 55 CA GLU A 55 209.512 253.378 254.868 1.00 0.00 C +ATOM 56 CA GLU A 56 207.268 254.073 257.867 1.00 0.00 C +ATOM 57 CA GLU A 57 207.230 254.709 261.623 1.00 0.00 C +ATOM 58 CA GLU A 58 208.535 258.090 262.798 1.00 0.00 C +ATOM 59 CA GLU A 59 210.700 259.687 265.495 1.00 0.00 C +ATOM 60 CA GLU A 60 212.935 257.839 267.966 1.00 0.00 C +ATOM 61 CA GLU A 61 215.859 257.921 270.408 1.00 0.00 C +ATOM 62 CA GLU A 62 217.901 256.684 273.377 1.00 0.00 C +ATOM 63 CA ASP A 63 220.938 254.385 273.286 1.00 0.00 C +ATOM 64 CA GLU A 64 224.618 253.497 273.709 1.00 0.00 C +ATOM 65 CA ASP A 65 227.702 252.832 271.573 1.00 0.00 C +ATOM 66 CA GLU A 66 230.623 251.950 273.855 1.00 0.00 C +ATOM 67 CA ASP A 67 231.905 255.247 275.270 1.00 0.00 C +ATOM 68 CA GLU A 68 232.284 257.928 272.590 1.00 0.00 C +ATOM 69 CA ASP A 69 233.059 261.655 272.753 1.00 0.00 C +ATOM 70 CA GLU A 70 236.257 263.658 273.284 1.00 0.00 C +ATOM 71 CA ASP A 71 237.466 266.911 271.712 1.00 0.00 C +ATOM 72 CA GLU A 72 237.924 269.988 269.512 1.00 0.00 C +ATOM 73 CA ALA A 73 237.281 273.330 267.800 1.00 0.00 C +ATOM 74 CA GLY A 74 240.631 274.666 266.571 1.00 0.00 C +ATOM 75 CA SER A 75 242.816 273.560 263.652 1.00 0.00 C +ATOM 76 CA GLU A 76 246.154 273.498 261.818 1.00 0.00 C +ATOM 77 CA LEU A 77 246.365 273.552 258.014 1.00 0.00 C +ATOM 78 CA GLY A 78 249.120 271.450 256.430 1.00 0.00 C +ATOM 79 CA GLU A 79 247.381 269.198 253.895 1.00 0.00 C +ATOM 80 CA GLY A 80 244.012 270.755 253.036 1.00 0.00 C +ATOM 81 CA GLU A 81 240.671 271.806 254.537 1.00 0.00 C +ATOM 82 CA GLU A 82 237.578 269.581 254.508 1.00 0.00 C +ATOM 83 CA GLU A 83 235.655 269.321 251.229 1.00 0.00 C +ATOM 84 CA VAL A 84 231.862 269.130 251.531 1.00 0.00 C +ATOM 85 CA GLY A 85 229.318 268.487 248.769 1.00 0.00 C +ATOM 86 CA LEU A 86 229.874 270.276 245.452 1.00 0.00 C +ATOM 87 CA SER A 87 230.477 273.946 246.282 1.00 0.00 C +ATOM 88 CA TYR A 88 233.951 275.203 247.213 1.00 0.00 C +ATOM 89 CA LEU A 89 236.559 273.240 245.248 1.00 0.00 C +ATOM 90 CA MET A 90 238.719 270.757 243.328 1.00 0.00 C +ATOM 91 CA LYS A 91 242.258 269.498 242.688 1.00 0.00 C +ATOM 92 CA GLU A 92 244.455 266.954 240.896 1.00 0.00 C +ATOM 93 CA GLU A 93 246.978 264.107 240.675 1.00 0.00 C +ATOM 94 CA ILE A 94 248.900 262.641 243.619 1.00 0.00 C +ATOM 95 CA GLN A 95 250.790 260.358 246.014 1.00 0.00 C +ATOM 96 CA ASP A 96 252.977 260.370 249.134 1.00 0.00 C +ATOM 97 CA GLU A 97 252.318 262.340 252.328 1.00 0.00 C +ATOM 98 CA GLU A 98 253.948 264.117 255.278 1.00 0.00 C +ATOM 99 CA ASP A 99 257.693 263.539 255.675 1.00 0.00 C +ATOM 100 CA ASP A 100 260.278 261.947 253.372 1.00 0.00 C +ATOM 101 CA ASP A 101 263.726 261.620 251.785 1.00 0.00 C +ATOM 102 CA ASP A 102 267.227 262.871 252.618 1.00 0.00 C +ATOM 103 CA TYR A 103 270.051 265.284 251.771 1.00 0.00 C +ATOM 104 CA VAL A 104 271.106 268.945 251.820 1.00 0.00 C +ATOM 105 CA GLU A 105 271.482 270.950 248.602 1.00 0.00 C +ATOM 106 CA GLU A 106 270.795 268.640 245.651 1.00 0.00 C +ATOM 107 CA GLY A 107 270.511 266.470 242.532 1.00 0.00 C +ATOM 108 CA GLU A 108 272.964 263.555 242.488 1.00 0.00 C +ATOM 109 CA GLU A 109 276.323 264.609 243.946 1.00 0.00 C +ATOM 110 CA GLU A 110 278.217 267.822 244.724 1.00 0.00 C +ATOM 111 CA GLU A 111 278.097 270.618 242.139 1.00 0.00 C +ATOM 112 CA GLU A 112 279.163 271.154 238.521 1.00 0.00 C +ATOM 113 CA GLU A 113 282.543 271.538 236.805 1.00 0.00 C +ATOM 114 CA GLU A 114 282.680 272.446 233.108 1.00 0.00 C +ATOM 115 CA GLU A 115 282.013 274.895 230.266 1.00 0.00 C +ATOM 116 CA GLY A 116 280.000 276.806 227.656 1.00 0.00 C +ATOM 117 CA GLY A 117 276.835 277.214 225.575 1.00 0.00 C +ATOM 118 CA LEU A 118 275.301 276.010 222.301 1.00 0.00 C +ATOM 119 CA ARG A 119 275.057 273.101 219.853 1.00 0.00 C +ATOM 120 CA GLY A 120 278.016 270.708 220.034 1.00 0.00 C +ATOM 121 CA GLU A 121 278.236 267.473 222.035 1.00 0.00 C +ATOM 122 CA LYS A 122 279.470 267.008 225.610 1.00 0.00 C +ATOM 123 CA ARG A 123 281.915 264.414 226.955 1.00 0.00 C +ATOM 124 CA LYS A 124 284.254 261.665 225.736 1.00 0.00 C +ATOM 125 CA ARG A 125 283.750 260.492 222.146 1.00 0.00 C +ATOM 126 CA ASP A 126 280.944 260.792 219.587 1.00 0.00 C +ATOM 127 CA ALA A 127 278.027 258.351 219.375 1.00 0.00 C +ATOM 128 CA GLU A 128 277.306 256.691 216.022 1.00 0.00 C +ATOM 129 CA ASP A 129 278.734 256.527 212.494 1.00 0.00 C +ATOM 130 CA ASP A 130 278.135 253.265 210.617 1.00 0.00 C +ATOM 131 CA GLY A 131 277.295 249.842 209.172 1.00 0.00 C +ATOM 132 CA GLU A 132 276.499 247.485 212.059 1.00 0.00 C +ATOM 133 CA GLU A 133 274.781 248.180 215.388 1.00 0.00 C +ATOM 134 CA GLU A 134 271.173 248.932 216.353 1.00 0.00 C +ATOM 135 CA ASP A 135 267.945 250.736 215.438 1.00 0.00 C +ATOM 136 CA ASP A 136 264.683 250.550 217.399 1.00 0.00 C +TER 137 ASP A 136 +END diff --git a/Mammals/Q5TBU2/Q5TBU2.dcd b/Mammals/Q5TBU2/Q5TBU2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..2cbc4e31ee2383db623ffb48d308ceb4d5c506a4 --- /dev/null +++ b/Mammals/Q5TBU2/Q5TBU2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:34a5703d54ab222c5657b232233646b6a3039c2ee68b76a755dc9032de73556d +size 5360276 diff --git a/Mammals/Q5TBU2/top.pdb b/Mammals/Q5TBU2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..31afa321a34471a6642714c1c08b4e04c9d55109 --- /dev/null +++ b/Mammals/Q5TBU2/top.pdb @@ -0,0 +1,42 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 221.702 261.654 264.294 1.00 0.00 C +ATOM 2 CA ALA A 2 222.625 260.746 260.711 1.00 0.00 C +ATOM 3 CA SER A 3 225.885 261.181 258.787 1.00 0.00 C +ATOM 4 CA LYS A 4 229.163 262.526 257.387 1.00 0.00 C +ATOM 5 CA GLY A 5 232.695 261.233 258.000 1.00 0.00 C +ATOM 6 CA LEU A 6 236.315 262.393 258.248 1.00 0.00 C +ATOM 7 CA GLN A 7 239.662 260.597 258.542 1.00 0.00 C +ATOM 8 CA ASP A 8 243.299 259.474 258.715 1.00 0.00 C +ATOM 9 CA LEU A 9 246.492 261.503 258.269 1.00 0.00 C +ATOM 10 CA LYS A 10 249.699 262.420 256.428 1.00 0.00 C +ATOM 11 CA GLN A 11 253.461 262.697 255.893 1.00 0.00 C +ATOM 12 CA GLN A 12 255.988 261.169 253.486 1.00 0.00 C +ATOM 13 CA VAL A 13 255.999 257.467 254.389 1.00 0.00 C +ATOM 14 CA GLU A 14 256.082 253.699 254.947 1.00 0.00 C +ATOM 15 CA GLY A 15 255.340 250.267 253.467 1.00 0.00 C +ATOM 16 CA THR A 16 253.328 247.602 251.633 1.00 0.00 C +ATOM 17 CA ALA A 17 251.900 244.270 250.461 1.00 0.00 C +ATOM 18 CA GLN A 18 250.275 244.252 247.015 1.00 0.00 C +ATOM 19 CA GLU A 19 248.577 241.408 245.132 1.00 0.00 C +ATOM 20 CA ALA A 20 250.748 238.498 243.978 1.00 0.00 C +ATOM 21 CA ALA A 21 249.603 235.009 242.962 1.00 0.00 C +ATOM 22 CA MET A 22 251.046 231.637 243.992 1.00 0.00 C +ATOM 23 CA ASP A 23 253.782 230.539 246.406 1.00 0.00 C +ATOM 24 CA GLN A 24 256.893 231.823 248.191 1.00 0.00 C +ATOM 25 CA LEU A 25 260.003 233.498 249.620 1.00 0.00 C +ATOM 26 CA ALA A 26 263.287 233.885 247.728 1.00 0.00 C +ATOM 27 CA LYS A 27 264.345 235.792 244.604 1.00 0.00 C +ATOM 28 CA THR A 28 262.354 239.039 244.520 1.00 0.00 C +ATOM 29 CA THR A 29 261.910 242.334 246.382 1.00 0.00 C +ATOM 30 CA GLN A 30 260.193 245.490 247.650 1.00 0.00 C +ATOM 31 CA GLU A 31 261.567 248.979 248.325 1.00 0.00 C +ATOM 32 CA THR A 32 260.695 252.684 248.503 1.00 0.00 C +ATOM 33 CA ILE A 33 257.221 252.964 246.963 1.00 0.00 C +ATOM 34 CA ASP A 34 254.610 251.922 244.392 1.00 0.00 C +ATOM 35 CA LYS A 35 252.064 253.720 242.201 1.00 0.00 C +ATOM 36 CA THR A 36 251.291 253.201 238.506 1.00 0.00 C +ATOM 37 CA ALA A 37 250.830 254.559 234.977 1.00 0.00 C +ATOM 38 CA ASN A 38 249.071 257.869 234.293 1.00 0.00 C +TER 39 ASN A 38 +END diff --git a/Mammals/Q5TGM7/Q5TGM7.dcd b/Mammals/Q5TGM7/Q5TGM7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a3e325dd0eb37208a96ac08492a9c64dfcd91017 --- /dev/null +++ b/Mammals/Q5TGM7/Q5TGM7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:92311c44a2ca9d682ea149d56790ae2830eb637ccd7fb8ca04121f4c815dfda3 +size 20120276 diff --git a/Mammals/Q5TGM7/top.pdb b/Mammals/Q5TGM7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d1bd683af65892cadfaed49ce2cef58ff0f3d88c --- /dev/null +++ b/Mammals/Q5TGM7/top.pdb @@ -0,0 +1,165 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 236.360 254.514 180.869 1.00 0.00 C +ATOM 2 CA PRO A 2 236.211 257.348 183.411 1.00 0.00 C +ATOM 3 CA LEU A 3 237.963 258.704 186.511 1.00 0.00 C +ATOM 4 CA ARG A 4 240.961 258.974 188.847 1.00 0.00 C +ATOM 5 CA ASP A 5 244.607 259.218 189.925 1.00 0.00 C +ATOM 6 CA GLU A 6 247.976 259.462 188.162 1.00 0.00 C +ATOM 7 CA THR A 7 248.072 258.795 184.412 1.00 0.00 C +ATOM 8 CA LEU A 8 249.670 256.236 182.085 1.00 0.00 C +ATOM 9 CA ARG A 9 252.429 255.637 179.526 1.00 0.00 C +ATOM 10 CA GLU A 10 251.596 254.279 176.066 1.00 0.00 C +ATOM 11 CA VAL A 11 254.290 252.968 173.712 1.00 0.00 C +ATOM 12 CA TRP A 12 256.457 249.837 173.854 1.00 0.00 C +ATOM 13 CA ALA A 13 255.165 246.258 173.669 1.00 0.00 C +ATOM 14 CA SER A 14 255.995 243.060 175.566 1.00 0.00 C +ATOM 15 CA ASP A 15 257.304 239.810 177.063 1.00 0.00 C +ATOM 16 CA SER A 16 260.284 237.919 175.627 1.00 0.00 C +ATOM 17 CA GLY A 17 261.986 235.285 177.791 1.00 0.00 C +ATOM 18 CA HIS A 18 265.225 234.417 179.599 1.00 0.00 C +ATOM 19 CA GLU A 19 264.950 233.027 183.135 1.00 0.00 C +ATOM 20 CA GLU A 20 264.734 229.348 184.102 1.00 0.00 C +ATOM 21 CA GLU A 21 261.248 227.861 184.494 1.00 0.00 C +ATOM 22 CA SER A 22 258.914 227.963 187.504 1.00 0.00 C +ATOM 23 CA LEU A 23 258.752 229.926 190.765 1.00 0.00 C +ATOM 24 CA SER A 24 261.588 232.461 190.986 1.00 0.00 C +ATOM 25 CA PRO A 25 260.893 234.873 193.852 1.00 0.00 C +ATOM 26 CA GLU A 26 258.450 233.741 196.548 1.00 0.00 C +ATOM 27 CA ALA A 27 255.648 235.930 197.915 1.00 0.00 C +ATOM 28 CA PRO A 28 251.866 235.558 198.187 1.00 0.00 C +ATOM 29 CA ARG A 29 251.268 234.982 201.906 1.00 0.00 C +ATOM 30 CA ARG A 30 248.610 233.657 204.293 1.00 0.00 C +ATOM 31 CA PRO A 31 250.151 234.098 207.749 1.00 0.00 C +ATOM 32 CA LYS A 32 247.894 234.170 210.818 1.00 0.00 C +ATOM 33 CA GLN A 33 245.829 237.357 211.118 1.00 0.00 C +ATOM 34 CA ARG A 34 242.171 236.710 211.966 1.00 0.00 C +ATOM 35 CA PRO A 35 238.443 236.283 212.624 1.00 0.00 C +ATOM 36 CA ALA A 36 236.811 239.686 212.104 1.00 0.00 C +ATOM 37 CA PRO A 37 235.390 241.782 209.256 1.00 0.00 C +ATOM 38 CA ALA A 38 238.417 243.648 207.888 1.00 0.00 C +ATOM 39 CA GLN A 39 241.593 242.806 209.818 1.00 0.00 C +ATOM 40 CA ARG A 40 243.759 243.637 212.840 1.00 0.00 C +ATOM 41 CA LEU A 41 243.873 245.971 215.850 1.00 0.00 C +ATOM 42 CA ARG A 42 246.595 244.674 218.178 1.00 0.00 C +ATOM 43 CA LYS A 43 250.288 245.302 217.481 1.00 0.00 C +ATOM 44 CA LYS A 44 253.449 245.071 219.595 1.00 0.00 C +ATOM 45 CA ARG A 45 257.153 244.476 218.931 1.00 0.00 C +ATOM 46 CA THR A 46 259.981 242.858 216.956 1.00 0.00 C +ATOM 47 CA GLU A 47 261.350 239.921 214.952 1.00 0.00 C +ATOM 48 CA ALA A 48 259.048 239.260 211.989 1.00 0.00 C +ATOM 49 CA PRO A 49 255.918 237.449 213.187 1.00 0.00 C +ATOM 50 CA GLU A 50 255.284 235.410 216.343 1.00 0.00 C +ATOM 51 CA SER A 51 252.754 234.155 218.900 1.00 0.00 C +ATOM 52 CA PRO A 52 249.001 233.859 218.317 1.00 0.00 C +ATOM 53 CA CYS A 53 245.701 235.353 217.136 1.00 0.00 C +ATOM 54 CA PRO A 54 242.113 235.383 218.415 1.00 0.00 C +ATOM 55 CA THR A 55 240.298 235.673 221.753 1.00 0.00 C +ATOM 56 CA GLY A 56 237.999 238.320 223.244 1.00 0.00 C +ATOM 57 CA SER A 57 235.406 237.443 225.895 1.00 0.00 C +ATOM 58 CA LYS A 58 231.630 237.228 226.355 1.00 0.00 C +ATOM 59 CA PRO A 59 228.820 238.540 228.569 1.00 0.00 C +ATOM 60 CA ARG A 60 225.848 237.328 230.621 1.00 0.00 C +ATOM 61 CA LYS A 61 226.719 236.799 234.292 1.00 0.00 C +ATOM 62 CA PRO A 62 227.904 236.043 237.833 1.00 0.00 C +ATOM 63 CA GLY A 63 228.622 234.078 241.017 1.00 0.00 C +ATOM 64 CA GLU A 64 226.436 232.752 243.842 1.00 0.00 C +ATOM 65 CA PHE A 65 226.853 231.825 247.514 1.00 0.00 C +ATOM 66 CA LEU A 66 227.780 234.245 250.307 1.00 0.00 C +ATOM 67 CA PRO A 67 228.209 232.141 253.454 1.00 0.00 C +ATOM 68 CA ALA A 68 226.725 233.966 256.450 1.00 0.00 C +ATOM 69 CA GLU A 69 226.431 237.521 257.791 1.00 0.00 C +ATOM 70 CA GLU A 70 229.178 240.043 257.012 1.00 0.00 C +ATOM 71 CA GLU A 71 232.805 240.850 257.855 1.00 0.00 C +ATOM 72 CA GLU A 72 235.499 241.793 260.379 1.00 0.00 C +ATOM 73 CA GLU A 73 238.452 240.962 262.637 1.00 0.00 C +ATOM 74 CA GLU A 74 240.221 242.351 265.713 1.00 0.00 C +ATOM 75 CA GLU A 75 238.325 241.948 268.993 1.00 0.00 C +ATOM 76 CA ASP A 76 234.634 241.459 268.185 1.00 0.00 C +ATOM 77 CA GLU A 77 231.043 240.759 267.123 1.00 0.00 C +ATOM 78 CA GLU A 78 228.852 237.904 268.375 1.00 0.00 C +ATOM 79 CA ASP A 79 228.664 238.431 272.144 1.00 0.00 C +ATOM 80 CA GLU A 80 232.144 237.562 273.428 1.00 0.00 C +ATOM 81 CA GLU A 81 234.772 238.941 275.817 1.00 0.00 C +ATOM 82 CA GLU A 82 233.689 237.934 279.329 1.00 0.00 C +ATOM 83 CA GLU A 83 231.378 239.679 281.804 1.00 0.00 C +ATOM 84 CA ALA A 84 230.520 238.491 285.321 1.00 0.00 C +ATOM 85 CA GLU A 85 230.110 234.772 286.039 1.00 0.00 C +ATOM 86 CA GLU A 86 231.694 231.684 287.611 1.00 0.00 C +ATOM 87 CA LYS A 87 235.432 232.330 287.973 1.00 0.00 C +ATOM 88 CA LYS A 88 235.784 234.028 291.366 1.00 0.00 C +ATOM 89 CA GLU A 89 234.535 233.574 294.936 1.00 0.00 C +ATOM 90 CA LYS A 90 234.531 231.104 297.837 1.00 0.00 C +ATOM 91 CA ILE A 91 232.074 231.017 300.747 1.00 0.00 C +ATOM 92 CA LEU A 92 230.250 233.783 302.627 1.00 0.00 C +ATOM 93 CA LEU A 93 230.402 237.156 300.861 1.00 0.00 C +ATOM 94 CA PRO A 94 231.710 239.210 297.931 1.00 0.00 C +ATOM 95 CA PRO A 95 230.296 242.746 297.798 1.00 0.00 C +ATOM 96 CA LYS A 96 232.702 245.668 298.229 1.00 0.00 C +ATOM 97 CA LYS A 97 236.392 246.497 297.768 1.00 0.00 C +ATOM 98 CA PRO A 98 237.622 243.906 295.261 1.00 0.00 C +ATOM 99 CA LEU A 99 240.208 241.431 296.568 1.00 0.00 C +ATOM 100 CA ARG A 100 243.356 239.932 298.104 1.00 0.00 C +ATOM 101 CA GLU A 101 243.913 239.510 301.850 1.00 0.00 C +ATOM 102 CA LYS A 102 243.342 237.920 305.265 1.00 0.00 C +ATOM 103 CA SER A 103 246.521 236.672 306.953 1.00 0.00 C +ATOM 104 CA SER A 104 249.313 235.404 304.693 1.00 0.00 C +ATOM 105 CA ALA A 105 251.479 237.951 302.866 1.00 0.00 C +ATOM 106 CA ASP A 106 251.132 238.766 299.160 1.00 0.00 C +ATOM 107 CA LEU A 107 250.447 238.598 295.416 1.00 0.00 C +ATOM 108 CA LYS A 108 250.501 235.947 292.680 1.00 0.00 C +ATOM 109 CA GLU A 109 250.041 237.640 289.298 1.00 0.00 C +ATOM 110 CA ARG A 110 250.717 240.598 286.994 1.00 0.00 C +ATOM 111 CA ARG A 111 249.026 244.009 287.125 1.00 0.00 C +ATOM 112 CA ALA A 112 251.073 246.639 285.278 1.00 0.00 C +ATOM 113 CA LYS A 113 249.665 249.138 282.770 1.00 0.00 C +ATOM 114 CA ALA A 114 247.545 252.069 281.573 1.00 0.00 C +ATOM 115 CA GLN A 115 245.053 251.177 278.833 1.00 0.00 C +ATOM 116 CA GLY A 116 245.803 252.529 275.350 1.00 0.00 C +ATOM 117 CA PRO A 117 247.103 255.872 274.065 1.00 0.00 C +ATOM 118 CA ARG A 118 249.478 258.597 275.267 1.00 0.00 C +ATOM 119 CA GLY A 119 252.494 259.893 273.332 1.00 0.00 C +ATOM 120 CA ASP A 120 256.006 258.450 273.649 1.00 0.00 C +ATOM 121 CA LEU A 121 259.740 258.744 272.949 1.00 0.00 C +ATOM 122 CA GLY A 122 262.529 261.309 273.339 1.00 0.00 C +ATOM 123 CA SER A 123 266.228 260.628 273.948 1.00 0.00 C +ATOM 124 CA PRO A 124 268.683 262.584 271.788 1.00 0.00 C +ATOM 125 CA ASP A 125 268.938 261.834 268.061 1.00 0.00 C +ATOM 126 CA PRO A 126 267.032 264.587 266.243 1.00 0.00 C +ATOM 127 CA PRO A 127 266.548 268.180 265.072 1.00 0.00 C +ATOM 128 CA PRO A 128 268.549 271.423 265.110 1.00 0.00 C +ATOM 129 CA LYS A 129 268.863 275.193 264.659 1.00 0.00 C +ATOM 130 CA PRO A 130 268.072 278.919 264.600 1.00 0.00 C +ATOM 131 CA LEU A 131 264.675 280.449 263.805 1.00 0.00 C +ATOM 132 CA ARG A 132 260.896 280.864 263.551 1.00 0.00 C +ATOM 133 CA VAL A 133 259.123 284.208 263.991 1.00 0.00 C +ATOM 134 CA ARG A 134 259.525 287.059 266.487 1.00 0.00 C +ATOM 135 CA ASN A 135 257.589 287.223 269.764 1.00 0.00 C +ATOM 136 CA LYS A 136 256.236 285.613 272.942 1.00 0.00 C +ATOM 137 CA GLU A 137 259.218 284.504 275.038 1.00 0.00 C +ATOM 138 CA ALA A 138 259.766 280.741 274.795 1.00 0.00 C +ATOM 139 CA PRO A 139 263.463 279.931 275.240 1.00 0.00 C +ATOM 140 CA ALA A 140 265.928 280.072 272.338 1.00 0.00 C +ATOM 141 CA GLY A 141 269.617 279.645 271.488 1.00 0.00 C +ATOM 142 CA GLU A 142 273.314 280.465 271.067 1.00 0.00 C +ATOM 143 CA GLY A 143 273.355 284.149 270.095 1.00 0.00 C +ATOM 144 CA THR A 144 273.449 286.925 272.703 1.00 0.00 C +ATOM 145 CA LYS A 145 272.961 286.921 276.481 1.00 0.00 C +ATOM 146 CA MET A 146 272.703 287.379 280.255 1.00 0.00 C +ATOM 147 CA ARG A 147 276.113 288.075 281.806 1.00 0.00 C +ATOM 148 CA LYS A 148 278.081 284.861 281.245 1.00 0.00 C +ATOM 149 CA THR A 149 281.696 284.349 282.334 1.00 0.00 C +ATOM 150 CA LYS A 150 281.442 283.328 285.995 1.00 0.00 C +ATOM 151 CA LYS A 151 278.598 283.536 288.521 1.00 0.00 C +ATOM 152 CA LYS A 152 275.142 282.024 287.979 1.00 0.00 C +ATOM 153 CA GLY A 153 274.815 279.345 290.668 1.00 0.00 C +ATOM 154 CA SER A 154 274.147 278.747 294.371 1.00 0.00 C +ATOM 155 CA GLY A 155 272.881 277.613 297.781 1.00 0.00 C +ATOM 156 CA GLU A 156 271.546 276.097 301.012 1.00 0.00 C +ATOM 157 CA ALA A 157 271.637 272.857 303.014 1.00 0.00 C +ATOM 158 CA ASP A 158 269.363 269.819 302.664 1.00 0.00 C +ATOM 159 CA LYS A 159 269.755 266.380 301.071 1.00 0.00 C +ATOM 160 CA ASP A 160 267.774 266.406 297.817 1.00 0.00 C +ATOM 161 CA PRO A 161 263.968 266.423 297.997 1.00 0.00 C +TER 162 PRO A 161 +END diff --git a/Mammals/Q5TH08/Q5TH08.dcd b/Mammals/Q5TH08/Q5TH08.dcd new file mode 100644 index 0000000000000000000000000000000000000000..2f0a30464945bf8009db4a97fb12c251aea5c075 --- /dev/null +++ b/Mammals/Q5TH08/Q5TH08.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e2b2fb206359b2ecb6e3307b1364399a656c9c4524b2c0713c468530237ded0d +size 5840276 diff --git a/Mammals/Q5TH08/top.pdb b/Mammals/Q5TH08/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b4449d55ed7c9acc62183641b10ec83683da0090 --- /dev/null +++ b/Mammals/Q5TH08/top.pdb @@ -0,0 +1,46 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 259.438 221.639 248.482 1.00 0.00 C +ATOM 2 CA ASP A 2 258.146 224.999 247.235 1.00 0.00 C +ATOM 3 CA ILE A 3 257.394 228.695 246.697 1.00 0.00 C +ATOM 4 CA SER A 4 254.657 230.057 248.972 1.00 0.00 C +ATOM 5 CA THR A 5 251.149 228.602 248.669 1.00 0.00 C +ATOM 6 CA ARG A 6 247.589 228.298 247.347 1.00 0.00 C +ATOM 7 CA SER A 7 244.452 227.813 249.455 1.00 0.00 C +ATOM 8 CA LYS A 8 241.621 230.153 248.443 1.00 0.00 C +ATOM 9 CA ASP A 9 241.950 233.418 250.380 1.00 0.00 C +ATOM 10 CA PRO A 10 245.428 234.974 250.373 1.00 0.00 C +ATOM 11 CA GLY A 11 248.842 235.496 251.982 1.00 0.00 C +ATOM 12 CA SER A 12 251.579 237.710 253.438 1.00 0.00 C +ATOM 13 CA ALA A 13 253.419 239.631 256.166 1.00 0.00 C +ATOM 14 CA GLU A 14 253.208 242.850 258.194 1.00 0.00 C +ATOM 15 CA ARG A 15 252.687 245.487 260.893 1.00 0.00 C +ATOM 16 CA THR A 16 251.520 248.815 262.335 1.00 0.00 C +ATOM 17 CA ALA A 17 253.547 251.216 264.489 1.00 0.00 C +ATOM 18 CA GLN A 18 257.138 252.427 264.099 1.00 0.00 C +ATOM 19 CA LYS A 19 258.766 254.347 261.239 1.00 0.00 C +ATOM 20 CA ARG A 20 261.721 253.250 259.098 1.00 0.00 C +ATOM 21 CA LYS A 21 262.161 251.685 255.652 1.00 0.00 C +ATOM 22 CA PHE A 22 259.755 249.212 254.036 1.00 0.00 C +ATOM 23 CA PRO A 23 256.148 248.344 254.902 1.00 0.00 C +ATOM 24 CA SER A 24 253.236 250.680 254.138 1.00 0.00 C +ATOM 25 CA PRO A 25 249.479 250.126 254.445 1.00 0.00 C +ATOM 26 CA PRO A 26 247.926 253.544 255.096 1.00 0.00 C +ATOM 27 CA HIS A 27 246.416 255.770 257.795 1.00 0.00 C +ATOM 28 CA SER A 28 245.817 259.129 256.100 1.00 0.00 C +ATOM 29 CA SER A 29 246.692 260.798 252.788 1.00 0.00 C +ATOM 30 CA ASN A 30 244.192 263.586 252.087 1.00 0.00 C +ATOM 31 CA GLY A 31 242.393 262.844 248.811 1.00 0.00 C +ATOM 32 CA HIS A 32 243.624 265.535 246.410 1.00 0.00 C +ATOM 33 CA SER A 33 241.943 266.538 243.141 1.00 0.00 C +ATOM 34 CA PRO A 34 239.010 267.457 240.890 1.00 0.00 C +ATOM 35 CA GLN A 35 237.136 266.062 237.880 1.00 0.00 C +ATOM 36 CA ASP A 36 238.813 267.323 234.699 1.00 0.00 C +ATOM 37 CA THR A 37 241.879 269.272 235.849 1.00 0.00 C +ATOM 38 CA SER A 38 245.099 267.874 237.330 1.00 0.00 C +ATOM 39 CA THR A 39 248.747 266.848 237.715 1.00 0.00 C +ATOM 40 CA SER A 40 252.162 268.235 236.750 1.00 0.00 C +ATOM 41 CA PRO A 41 255.935 267.925 237.176 1.00 0.00 C +ATOM 42 CA ILE A 42 257.190 271.334 238.324 1.00 0.00 C +TER 43 ILE A 42 +END diff --git a/Mammals/Q5U1W2/Q5U1W2.dcd b/Mammals/Q5U1W2/Q5U1W2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..600fb7175f9a5c162ea8a225bd648e497158ea1d --- /dev/null +++ b/Mammals/Q5U1W2/Q5U1W2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1e4d3a01c0a74b080c71ef0973a1d3c158044ad63652ef62ebf76d78c096628a +size 17480276 diff --git a/Mammals/Q5U1W2/top.pdb b/Mammals/Q5U1W2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9d1fa514ec64efd43944a2f0d0c4656c631dbe20 --- /dev/null +++ b/Mammals/Q5U1W2/top.pdb @@ -0,0 +1,143 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 280.437 197.578 210.808 1.00 0.00 C +ATOM 2 CA TRP A 2 284.139 196.702 211.022 1.00 0.00 C +ATOM 3 CA ASN A 3 286.720 197.809 208.448 1.00 0.00 C +ATOM 4 CA PRO A 4 287.698 197.948 204.768 1.00 0.00 C +ATOM 5 CA SER A 5 290.352 200.643 204.312 1.00 0.00 C +ATOM 6 CA ALA A 6 289.428 204.147 203.134 1.00 0.00 C +ATOM 7 CA GLY A 7 287.787 207.314 201.795 1.00 0.00 C +ATOM 8 CA PRO A 8 287.514 209.392 198.613 1.00 0.00 C +ATOM 9 CA ASN A 9 285.090 211.528 196.595 1.00 0.00 C +ATOM 10 CA PRO A 10 284.656 211.385 192.812 1.00 0.00 C +ATOM 11 CA TYR A 11 287.779 210.018 191.112 1.00 0.00 C +ATOM 12 CA PRO A 12 291.535 209.408 190.924 1.00 0.00 C +ATOM 13 CA PRO A 13 294.317 211.617 189.548 1.00 0.00 C +ATOM 14 CA GLN A 14 295.057 214.976 191.188 1.00 0.00 C +ATOM 15 CA VAL A 15 292.585 215.367 194.061 1.00 0.00 C +ATOM 16 CA VAL A 16 289.103 216.815 194.600 1.00 0.00 C +ATOM 17 CA CYS A 17 288.031 218.196 197.985 1.00 0.00 C +ATOM 18 CA PRO A 18 284.242 217.990 198.331 1.00 0.00 C +ATOM 19 CA GLY A 19 280.787 218.164 199.927 1.00 0.00 C +ATOM 20 CA GLY A 20 280.015 215.161 202.141 1.00 0.00 C +ATOM 21 CA SER A 21 277.097 216.258 204.331 1.00 0.00 C +ATOM 22 CA ASN A 22 274.543 216.577 207.140 1.00 0.00 C +ATOM 23 CA PRO A 23 272.368 216.451 210.266 1.00 0.00 C +ATOM 24 CA ALA A 24 269.536 214.673 212.092 1.00 0.00 C +ATOM 25 CA CYS A 25 269.487 213.666 215.767 1.00 0.00 C +ATOM 26 CA PRO A 26 266.192 213.568 217.675 1.00 0.00 C +ATOM 27 CA PRO A 27 262.712 213.554 216.124 1.00 0.00 C +ATOM 28 CA SER A 28 259.116 213.967 214.933 1.00 0.00 C +ATOM 29 CA GLN A 29 255.551 213.350 216.127 1.00 0.00 C +ATOM 30 CA ASN A 30 252.186 215.137 216.158 1.00 0.00 C +ATOM 31 CA PRO A 31 250.119 214.108 213.128 1.00 0.00 C +ATOM 32 CA ALA A 32 247.852 216.950 211.987 1.00 0.00 C +ATOM 33 CA PHE A 33 245.358 219.360 213.563 1.00 0.00 C +ATOM 34 CA PRO A 34 245.928 223.079 214.165 1.00 0.00 C +ATOM 35 CA PRO A 35 243.664 225.019 216.537 1.00 0.00 C +ATOM 36 CA GLY A 36 243.865 228.819 216.722 1.00 0.00 C +ATOM 37 CA PRO A 37 247.499 229.798 216.126 1.00 0.00 C +ATOM 38 CA CYS A 38 250.265 227.265 215.455 1.00 0.00 C +ATOM 39 CA PRO A 39 253.782 227.928 216.760 1.00 0.00 C +ATOM 40 CA PRO A 40 254.822 230.791 219.049 1.00 0.00 C +ATOM 41 CA GLY A 41 253.708 233.945 217.224 1.00 0.00 C +ATOM 42 CA ILE A 42 250.309 235.567 217.805 1.00 0.00 C +ATOM 43 CA PRO A 43 250.475 239.373 217.785 1.00 0.00 C +ATOM 44 CA GLN A 44 248.609 241.257 220.521 1.00 0.00 C +ATOM 45 CA GLY A 45 247.198 243.887 222.889 1.00 0.00 C +ATOM 46 CA ASN A 46 245.092 245.165 225.796 1.00 0.00 C +ATOM 47 CA PRO A 47 243.120 248.418 226.004 1.00 0.00 C +ATOM 48 CA ALA A 48 241.614 251.819 226.829 1.00 0.00 C +ATOM 49 CA PHE A 49 244.160 254.405 225.669 1.00 0.00 C +ATOM 50 CA PRO A 50 244.484 257.536 227.816 1.00 0.00 C +ATOM 51 CA PRO A 51 243.189 256.840 231.330 1.00 0.00 C +ATOM 52 CA CYS A 52 241.318 258.055 234.419 1.00 0.00 C +ATOM 53 CA ARG A 53 241.207 258.961 238.118 1.00 0.00 C +ATOM 54 CA PRO A 54 238.851 261.817 239.018 1.00 0.00 C +ATOM 55 CA PRO A 55 235.475 263.001 237.708 1.00 0.00 C +ATOM 56 CA TYR A 56 234.266 263.062 234.096 1.00 0.00 C +ATOM 57 CA PRO A 57 237.206 263.640 231.742 1.00 0.00 C +ATOM 58 CA VAL A 58 237.935 267.333 231.153 1.00 0.00 C +ATOM 59 CA PRO A 59 241.268 269.044 230.458 1.00 0.00 C +ATOM 60 CA GLN A 60 242.305 272.545 229.371 1.00 0.00 C +ATOM 61 CA PRO A 61 244.541 275.382 230.582 1.00 0.00 C +ATOM 62 CA GLY A 62 246.514 276.039 233.774 1.00 0.00 C +ATOM 63 CA CYS A 63 245.333 277.266 237.182 1.00 0.00 C +ATOM 64 CA PRO A 64 247.875 276.814 239.983 1.00 0.00 C +ATOM 65 CA GLY A 65 251.222 275.705 241.427 1.00 0.00 C +ATOM 66 CA TYR A 66 253.943 277.783 243.099 1.00 0.00 C +ATOM 67 CA GLN A 67 254.240 281.564 242.737 1.00 0.00 C +ATOM 68 CA PRO A 68 255.712 285.034 243.296 1.00 0.00 C +ATOM 69 CA SER A 69 258.373 284.726 246.005 1.00 0.00 C +ATOM 70 CA GLY A 70 259.059 286.542 249.284 1.00 0.00 C +ATOM 71 CA PRO A 71 261.819 285.512 251.700 1.00 0.00 C +ATOM 72 CA TYR A 72 261.485 286.416 255.387 1.00 0.00 C +ATOM 73 CA PRO A 73 259.928 286.142 258.853 1.00 0.00 C +ATOM 74 CA PRO A 74 258.004 285.403 262.058 1.00 0.00 C +ATOM 75 CA PRO A 75 256.664 281.880 262.611 1.00 0.00 C +ATOM 76 CA TYR A 76 254.304 280.474 259.972 1.00 0.00 C +ATOM 77 CA PRO A 77 254.326 276.891 258.674 1.00 0.00 C +ATOM 78 CA PRO A 78 254.703 276.063 254.975 1.00 0.00 C +ATOM 79 CA ALA A 79 255.232 278.792 252.369 1.00 0.00 C +ATOM 80 CA ALA A 80 258.636 280.180 251.370 1.00 0.00 C +ATOM 81 CA PRO A 81 260.823 279.846 254.472 1.00 0.00 C +ATOM 82 CA GLY A 82 261.669 276.330 255.672 1.00 0.00 C +ATOM 83 CA MET A 83 262.160 272.690 256.683 1.00 0.00 C +ATOM 84 CA CYS A 84 261.297 269.631 258.783 1.00 0.00 C +ATOM 85 CA PRO A 85 258.653 268.299 261.182 1.00 0.00 C +ATOM 86 CA VAL A 86 255.562 268.076 263.398 1.00 0.00 C +ATOM 87 CA ASN A 87 252.279 269.977 263.040 1.00 0.00 C +ATOM 88 CA PRO A 88 249.269 272.301 262.809 1.00 0.00 C +ATOM 89 CA PRO A 89 246.192 270.783 264.465 1.00 0.00 C +ATOM 90 CA ALA A 90 243.075 272.368 265.976 1.00 0.00 C +ATOM 91 CA PRO A 91 242.087 270.278 269.004 1.00 0.00 C +ATOM 92 CA GLY A 92 241.652 267.624 271.703 1.00 0.00 C +ATOM 93 CA MET A 93 240.707 269.585 274.831 1.00 0.00 C +ATOM 94 CA VAL A 94 243.121 269.676 277.777 1.00 0.00 C +ATOM 95 CA GLY A 95 243.451 273.067 279.483 1.00 0.00 C +ATOM 96 CA PRO A 96 240.198 273.947 281.260 1.00 0.00 C +ATOM 97 CA GLY A 97 237.446 272.012 279.471 1.00 0.00 C +ATOM 98 CA ILE A 98 235.803 268.756 278.369 1.00 0.00 C +ATOM 99 CA VAL A 99 233.114 266.061 278.519 1.00 0.00 C +ATOM 100 CA ILE A 100 229.452 265.773 277.506 1.00 0.00 C +ATOM 101 CA ASP A 101 227.952 267.538 274.481 1.00 0.00 C +ATOM 102 CA LYS A 102 227.990 271.345 274.616 1.00 0.00 C +ATOM 103 CA LYS A 103 228.285 273.613 277.663 1.00 0.00 C +ATOM 104 CA THR A 104 228.980 277.275 278.453 1.00 0.00 C +ATOM 105 CA ARG A 105 230.776 280.313 279.888 1.00 0.00 C +ATOM 106 CA LYS A 106 233.415 279.466 282.502 1.00 0.00 C +ATOM 107 CA LYS A 107 233.278 276.828 285.248 1.00 0.00 C +ATOM 108 CA MET A 108 231.770 276.993 288.743 1.00 0.00 C +ATOM 109 CA LYS A 109 228.372 276.209 290.277 1.00 0.00 C +ATOM 110 CA LYS A 110 227.268 273.349 292.539 1.00 0.00 C +ATOM 111 CA ALA A 111 226.790 269.705 293.546 1.00 0.00 C +ATOM 112 CA HIS A 112 227.928 267.326 290.797 1.00 0.00 C +ATOM 113 CA LYS A 113 231.350 268.424 289.532 1.00 0.00 C +ATOM 114 CA LYS A 114 234.515 266.451 290.309 1.00 0.00 C +ATOM 115 CA SER A 115 234.857 263.169 292.214 1.00 0.00 C +ATOM 116 CA HIS A 116 233.165 259.949 291.081 1.00 0.00 C +ATOM 117 CA LYS A 117 233.850 256.658 292.874 1.00 0.00 C +ATOM 118 CA HIS A 118 236.451 254.199 294.181 1.00 0.00 C +ATOM 119 CA HIS A 119 238.730 251.367 293.039 1.00 0.00 C +ATOM 120 CA LYS A 120 239.645 247.845 294.168 1.00 0.00 C +ATOM 121 CA HIS A 121 239.904 245.974 297.476 1.00 0.00 C +ATOM 122 CA GLY A 122 238.418 245.002 300.848 1.00 0.00 C +ATOM 123 CA LYS A 123 239.845 241.792 302.322 1.00 0.00 C +ATOM 124 CA HIS A 124 237.426 239.975 304.638 1.00 0.00 C +ATOM 125 CA SER A 125 236.249 240.728 308.182 1.00 0.00 C +ATOM 126 CA SER A 126 236.397 243.529 310.760 1.00 0.00 C +ATOM 127 CA SER A 127 234.985 243.202 314.284 1.00 0.00 C +ATOM 128 CA SER A 128 232.583 244.738 316.810 1.00 0.00 C +ATOM 129 CA SER A 129 231.986 248.496 316.609 1.00 0.00 C +ATOM 130 CA SER A 130 231.845 249.978 313.102 1.00 0.00 C +ATOM 131 CA SER A 131 228.540 250.480 311.273 1.00 0.00 C +ATOM 132 CA SER A 132 226.555 253.624 310.442 1.00 0.00 C +ATOM 133 CA SER A 133 223.319 252.916 308.560 1.00 0.00 C +ATOM 134 CA SER A 134 221.315 249.977 307.195 1.00 0.00 C +ATOM 135 CA SER A 135 219.119 249.635 304.100 1.00 0.00 C +ATOM 136 CA SER A 136 217.095 251.841 301.744 1.00 0.00 C +ATOM 137 CA ASP A 137 214.964 252.524 298.660 1.00 0.00 C +ATOM 138 CA SER A 138 211.718 250.759 297.730 1.00 0.00 C +ATOM 139 CA ASP A 139 211.442 246.974 297.390 1.00 0.00 C +TER 140 ASP A 139 +END diff --git a/Mammals/Q5U2N5/Q5U2N5.dcd b/Mammals/Q5U2N5/Q5U2N5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..5a597974ac7ad3975b252f066783e0568947c1bc --- /dev/null +++ b/Mammals/Q5U2N5/Q5U2N5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6795f94909febd5b419beab5450425ccf146259d87909ab60b21fecad117bd6e +size 9200276 diff --git a/Mammals/Q5U2N5/top.pdb b/Mammals/Q5U2N5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f9573df0fdbc8773df453f71ae5dd27475a176c4 --- /dev/null +++ b/Mammals/Q5U2N5/top.pdb @@ -0,0 +1,74 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 244.265 245.673 283.903 1.00 0.00 C +ATOM 2 CA TRP A 2 244.288 246.163 287.681 1.00 0.00 C +ATOM 3 CA ASP A 3 245.343 246.213 291.342 1.00 0.00 C +ATOM 4 CA ARG A 4 245.800 248.432 294.405 1.00 0.00 C +ATOM 5 CA LYS A 5 248.564 251.043 294.641 1.00 0.00 C +ATOM 6 CA GLN A 6 252.061 249.544 294.843 1.00 0.00 C +ATOM 7 CA GLN A 7 254.573 247.684 292.665 1.00 0.00 C +ATOM 8 CA VAL A 8 258.309 248.058 292.016 1.00 0.00 C +ATOM 9 CA HIS A 9 258.571 248.643 288.260 1.00 0.00 C +ATOM 10 CA TRP A 10 261.385 249.616 285.882 1.00 0.00 C +ATOM 11 CA ALA A 11 260.652 252.050 283.044 1.00 0.00 C +ATOM 12 CA GLY A 12 258.607 254.900 281.556 1.00 0.00 C +ATOM 13 CA GLY A 13 254.941 253.867 281.619 1.00 0.00 C +ATOM 14 CA ARG A 14 251.189 254.082 280.993 1.00 0.00 C +ATOM 15 CA HIS A 15 247.657 254.846 279.783 1.00 0.00 C +ATOM 16 CA ALA A 16 245.718 252.073 278.032 1.00 0.00 C +ATOM 17 CA PRO A 17 242.940 249.470 278.171 1.00 0.00 C +ATOM 18 CA PRO A 18 239.210 248.788 277.793 1.00 0.00 C +ATOM 19 CA SER A 19 236.337 250.678 276.153 1.00 0.00 C +ATOM 20 CA HIS A 20 237.427 254.195 275.176 1.00 0.00 C +ATOM 21 CA HIS A 21 237.107 257.359 273.077 1.00 0.00 C +ATOM 22 CA PRO A 22 238.262 257.647 269.458 1.00 0.00 C +ATOM 23 CA SER A 23 237.863 254.363 267.567 1.00 0.00 C +ATOM 24 CA PRO A 24 238.494 250.721 268.492 1.00 0.00 C +ATOM 25 CA SER A 25 240.760 248.655 266.232 1.00 0.00 C +ATOM 26 CA THR A 26 244.545 249.076 266.373 1.00 0.00 C +ATOM 27 CA GLN A 27 248.184 247.996 266.050 1.00 0.00 C +ATOM 28 CA PRO A 28 249.312 247.447 262.452 1.00 0.00 C +ATOM 29 CA HIS A 29 249.005 244.059 260.738 1.00 0.00 C +ATOM 30 CA TYR A 30 248.314 241.594 263.560 1.00 0.00 C +ATOM 31 CA PRO A 31 248.488 238.126 265.127 1.00 0.00 C +ATOM 32 CA ASN A 32 249.184 234.429 265.732 1.00 0.00 C +ATOM 33 CA LEU A 33 252.081 232.113 264.863 1.00 0.00 C +ATOM 34 CA GLY A 34 253.034 232.580 261.204 1.00 0.00 C +ATOM 35 CA TYR A 35 253.760 233.643 257.618 1.00 0.00 C +ATOM 36 CA PRO A 36 251.135 233.317 254.876 1.00 0.00 C +ATOM 37 CA ALA A 37 250.009 232.120 251.438 1.00 0.00 C +ATOM 38 CA GLY A 38 249.364 235.158 249.231 1.00 0.00 C +ATOM 39 CA TYR A 39 248.177 238.712 248.538 1.00 0.00 C +ATOM 40 CA SER A 40 246.532 241.632 250.350 1.00 0.00 C +ATOM 41 CA GLN A 41 245.289 244.369 248.009 1.00 0.00 C +ATOM 42 CA ASN A 42 246.528 244.468 244.407 1.00 0.00 C +ATOM 43 CA VAL A 43 244.431 247.078 242.589 1.00 0.00 C +ATOM 44 CA THR A 44 245.969 249.371 239.963 1.00 0.00 C +ATOM 45 CA PRO A 45 249.485 250.057 238.666 1.00 0.00 C +ATOM 46 CA HIS A 46 253.137 249.291 239.433 1.00 0.00 C +ATOM 47 CA PRO A 47 256.115 251.505 238.571 1.00 0.00 C +ATOM 48 CA THR A 48 255.949 252.332 234.856 1.00 0.00 C +ATOM 49 CA SER A 49 255.357 251.282 231.241 1.00 0.00 C +ATOM 50 CA ASP A 50 257.602 249.278 228.904 1.00 0.00 C +ATOM 51 CA LEU A 51 260.070 251.011 226.576 1.00 0.00 C +ATOM 52 CA MET A 52 259.488 254.759 226.212 1.00 0.00 C +ATOM 53 CA GLN A 53 257.076 257.371 224.841 1.00 0.00 C +ATOM 54 CA SER A 54 255.306 260.238 223.063 1.00 0.00 C +ATOM 55 CA SER A 55 257.107 262.848 220.951 1.00 0.00 C +ATOM 56 CA PHE A 56 256.164 264.525 217.662 1.00 0.00 C +ATOM 57 CA PRO A 57 253.094 263.992 215.469 1.00 0.00 C +ATOM 58 CA LEU A 58 249.894 262.655 213.892 1.00 0.00 C +ATOM 59 CA SER A 59 247.176 260.842 211.932 1.00 0.00 C +ATOM 60 CA PRO A 60 244.442 258.330 211.078 1.00 0.00 C +ATOM 61 CA ARG A 61 245.820 256.146 208.277 1.00 0.00 C +ATOM 62 CA PRO A 62 248.883 257.353 206.360 1.00 0.00 C +ATOM 63 CA PRO A 63 250.081 255.700 203.143 1.00 0.00 C +ATOM 64 CA GLN A 64 247.480 254.525 200.620 1.00 0.00 C +ATOM 65 CA PRO A 65 248.244 252.067 197.811 1.00 0.00 C +ATOM 66 CA LYS A 66 251.382 253.393 196.106 1.00 0.00 C +ATOM 67 CA PRO A 67 254.508 255.565 195.925 1.00 0.00 C +ATOM 68 CA THR A 68 257.905 255.995 194.255 1.00 0.00 C +ATOM 69 CA ARG A 69 260.755 258.200 193.017 1.00 0.00 C +ATOM 70 CA VAL A 70 263.813 258.686 195.237 1.00 0.00 C +TER 71 VAL A 70 +END diff --git a/Mammals/Q5UDR3/Q5UDR3.dcd b/Mammals/Q5UDR3/Q5UDR3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..be074d0f3b3208d37454434e5436f29d29ddca6f --- /dev/null +++ b/Mammals/Q5UDR3/Q5UDR3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ca7965e18e334adb0fd54ef0994323a1887dd538a5bb75a543786684154e1380 +size 5120276 diff --git a/Mammals/Q5UDR3/top.pdb b/Mammals/Q5UDR3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..bad57eaf2b56335a0e5974b4eb2e3eb3442d11d1 --- /dev/null +++ b/Mammals/Q5UDR3/top.pdb @@ -0,0 +1,40 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ARG A 1 223.074 263.817 262.442 1.00 0.00 C +ATOM 2 CA THR A 2 222.138 260.125 262.531 1.00 0.00 C +ATOM 3 CA ALA A 3 222.481 256.625 263.996 1.00 0.00 C +ATOM 4 CA PRO A 4 225.887 256.675 265.703 1.00 0.00 C +ATOM 5 CA THR A 5 229.553 257.660 265.373 1.00 0.00 C +ATOM 6 CA SER A 6 232.882 258.456 267.046 1.00 0.00 C +ATOM 7 CA THR A 7 235.512 255.806 267.806 1.00 0.00 C +ATOM 8 CA ILE A 8 235.863 252.023 267.528 1.00 0.00 C +ATOM 9 CA ALA A 9 239.473 251.031 268.238 1.00 0.00 C +ATOM 10 CA PRO A 10 242.336 248.718 267.256 1.00 0.00 C +ATOM 11 CA GLY A 11 245.715 247.645 268.650 1.00 0.00 C +ATOM 12 CA VAL A 12 248.203 247.255 265.791 1.00 0.00 C +ATOM 13 CA VAL A 13 250.829 244.497 265.933 1.00 0.00 C +ATOM 14 CA MET A 14 251.146 242.324 262.820 1.00 0.00 C +ATOM 15 CA ALA A 15 251.777 238.790 261.543 1.00 0.00 C +ATOM 16 CA SER A 16 248.836 238.066 259.230 1.00 0.00 C +ATOM 17 CA SER A 17 247.297 238.353 255.757 1.00 0.00 C +ATOM 18 CA PRO A 18 248.372 240.724 252.975 1.00 0.00 C +ATOM 19 CA ALA A 19 247.218 243.943 251.296 1.00 0.00 C +ATOM 20 CA LEU A 20 247.716 247.507 250.043 1.00 0.00 C +ATOM 21 CA PRO A 21 246.585 249.041 246.744 1.00 0.00 C +ATOM 22 CA THR A 22 244.748 246.708 244.357 1.00 0.00 C +ATOM 23 CA GLN A 23 247.067 245.388 241.637 1.00 0.00 C +ATOM 24 CA PRO A 24 250.708 246.508 241.602 1.00 0.00 C +ATOM 25 CA ALA A 25 252.613 248.712 239.146 1.00 0.00 C +ATOM 26 CA GLU A 26 256.174 248.850 240.495 1.00 0.00 C +ATOM 27 CA GLU A 27 259.370 249.978 238.753 1.00 0.00 C +ATOM 28 CA ALA A 28 261.856 252.468 237.293 1.00 0.00 C +ATOM 29 CA ALA A 29 264.455 253.934 234.924 1.00 0.00 C +ATOM 30 CA ARG A 30 265.529 253.827 231.270 1.00 0.00 C +ATOM 31 CA LYS A 31 267.892 251.847 229.032 1.00 0.00 C +ATOM 32 CA ARG A 32 271.477 252.564 227.959 1.00 0.00 C +ATOM 33 CA GLU A 33 275.051 252.378 226.654 1.00 0.00 C +ATOM 34 CA VAL A 34 277.245 251.067 223.828 1.00 0.00 C +ATOM 35 CA ARG A 35 279.693 252.945 221.593 1.00 0.00 C +ATOM 36 CA LEU A 36 283.231 253.747 222.757 1.00 0.00 C +TER 37 LEU A 36 +END diff --git a/Mammals/Q5UDR5/Q5UDR5.dcd b/Mammals/Q5UDR5/Q5UDR5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b88029241da31ce50d5a79cd936253d87ab6eb83 --- /dev/null +++ b/Mammals/Q5UDR5/Q5UDR5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:da0d258c410d2a10f03e9ebb37bde8603f5d75c78e2bdf73470d5c90d6ce5507 +size 5840276 diff --git a/Mammals/Q5UDR5/top.pdb b/Mammals/Q5UDR5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..75996e76f9645f19fdab61530b1ebf438d0110e3 --- /dev/null +++ b/Mammals/Q5UDR5/top.pdb @@ -0,0 +1,46 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ASP A 1 218.976 250.789 245.738 1.00 0.00 C +ATOM 2 CA LEU A 2 220.045 253.921 247.626 1.00 0.00 C +ATOM 3 CA SER A 3 221.306 257.431 246.845 1.00 0.00 C +ATOM 4 CA SER A 4 224.594 258.283 245.120 1.00 0.00 C +ATOM 5 CA ASP A 5 224.429 261.511 243.103 1.00 0.00 C +ATOM 6 CA ALA A 6 227.592 262.836 241.443 1.00 0.00 C +ATOM 7 CA PRO A 7 228.761 262.015 237.911 1.00 0.00 C +ATOM 8 CA GLY A 8 230.437 264.416 235.473 1.00 0.00 C +ATOM 9 CA VAL A 9 233.936 264.092 234.000 1.00 0.00 C +ATOM 10 CA PRO A 10 234.305 263.548 230.247 1.00 0.00 C +ATOM 11 CA ARG A 11 235.825 260.222 229.178 1.00 0.00 C +ATOM 12 CA ILE A 12 238.286 257.720 230.661 1.00 0.00 C +ATOM 13 CA GLU A 13 240.993 256.530 233.063 1.00 0.00 C +ATOM 14 CA GLU A 14 242.282 259.690 234.757 1.00 0.00 C +ATOM 15 CA GLU A 15 243.062 262.543 237.158 1.00 0.00 C +ATOM 16 CA LYS A 16 246.204 261.910 239.218 1.00 0.00 C +ATOM 17 CA SER A 17 247.584 259.349 241.678 1.00 0.00 C +ATOM 18 CA GLU A 18 249.026 258.835 245.167 1.00 0.00 C +ATOM 19 CA GLU A 19 252.383 259.885 246.631 1.00 0.00 C +ATOM 20 CA GLU A 20 256.094 260.062 245.787 1.00 0.00 C +ATOM 21 CA THR A 21 259.495 261.762 246.038 1.00 0.00 C +ATOM 22 CA SER A 22 262.220 259.542 247.506 1.00 0.00 C +ATOM 23 CA ALA A 23 262.530 255.815 246.774 1.00 0.00 C +ATOM 24 CA PRO A 24 264.617 253.505 248.970 1.00 0.00 C +ATOM 25 CA ALA A 25 266.076 254.142 252.431 1.00 0.00 C +ATOM 26 CA ILE A 26 264.794 255.862 255.580 1.00 0.00 C +ATOM 27 CA THR A 27 266.993 254.849 258.522 1.00 0.00 C +ATOM 28 CA THR A 28 269.602 252.076 258.669 1.00 0.00 C +ATOM 29 CA VAL A 29 267.995 248.623 258.777 1.00 0.00 C +ATOM 30 CA THR A 30 267.548 245.185 257.197 1.00 0.00 C +ATOM 31 CA VAL A 31 265.283 242.981 259.324 1.00 0.00 C +ATOM 32 CA PRO A 32 264.178 239.334 259.311 1.00 0.00 C +ATOM 33 CA THR A 33 263.508 235.890 260.796 1.00 0.00 C +ATOM 34 CA PRO A 34 261.217 233.016 259.792 1.00 0.00 C +ATOM 35 CA ILE A 35 260.507 229.273 259.736 1.00 0.00 C +ATOM 36 CA TYR A 36 258.565 226.358 261.235 1.00 0.00 C +ATOM 37 CA GLN A 37 256.761 227.639 264.336 1.00 0.00 C +ATOM 38 CA THR A 38 258.616 229.628 267.004 1.00 0.00 C +ATOM 39 CA SER A 39 258.640 228.324 270.584 1.00 0.00 C +ATOM 40 CA SER A 40 258.539 225.372 272.991 1.00 0.00 C +ATOM 41 CA GLY A 41 262.002 223.790 272.841 1.00 0.00 C +ATOM 42 CA GLN A 42 264.192 221.445 270.787 1.00 0.00 C +TER 43 GLN A 42 +END diff --git a/Mammals/Q5USN6/Q5USN6.dcd b/Mammals/Q5USN6/Q5USN6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..9195572052f0413091f89354cbff5ee6302d082c --- /dev/null +++ b/Mammals/Q5USN6/Q5USN6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f4adaa0da77d7d519768e0e412f7069fb182a2d4393cd5a006f3fdac52d057f9 +size 9200276 diff --git a/Mammals/Q5USN6/top.pdb b/Mammals/Q5USN6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1b265515a4d3a58bec842c965585cf4d0aec8e38 --- /dev/null +++ b/Mammals/Q5USN6/top.pdb @@ -0,0 +1,74 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA CYS A 1 272.434 232.558 292.990 1.00 0.00 C +ATOM 2 CA THR A 2 274.882 230.396 291.028 1.00 0.00 C +ATOM 3 CA LYS A 3 277.985 231.749 289.279 1.00 0.00 C +ATOM 4 CA ARG A 4 277.716 235.282 287.878 1.00 0.00 C +ATOM 5 CA TYR A 5 277.456 238.110 285.338 1.00 0.00 C +ATOM 6 CA THR A 6 274.797 239.387 282.927 1.00 0.00 C +ATOM 7 CA ASP A 7 272.956 237.689 280.056 1.00 0.00 C +ATOM 8 CA PRO A 8 269.981 235.327 279.761 1.00 0.00 C +ATOM 9 CA SER A 9 267.602 235.329 276.786 1.00 0.00 C +ATOM 10 CA SER A 10 265.626 236.724 273.842 1.00 0.00 C +ATOM 11 CA LEU A 11 262.243 235.169 273.029 1.00 0.00 C +ATOM 12 CA ARG A 12 262.793 231.861 271.220 1.00 0.00 C +ATOM 13 CA LYS A 13 263.778 228.258 270.468 1.00 0.00 C +ATOM 14 CA HIS A 14 266.162 227.771 267.537 1.00 0.00 C +ATOM 15 CA VAL A 15 265.554 229.692 264.303 1.00 0.00 C +ATOM 16 CA LYS A 16 268.299 232.272 263.733 1.00 0.00 C +ATOM 17 CA THR A 17 266.720 235.384 262.202 1.00 0.00 C +ATOM 18 CA VAL A 18 263.621 237.499 261.542 1.00 0.00 C +ATOM 19 CA HIS A 19 261.066 235.022 260.183 1.00 0.00 C +ATOM 20 CA GLY A 20 260.650 234.847 256.399 1.00 0.00 C +ATOM 21 CA PRO A 21 259.370 234.179 252.873 1.00 0.00 C +ATOM 22 CA ASP A 22 258.045 235.170 249.441 1.00 0.00 C +ATOM 23 CA ALA A 23 254.437 235.143 248.217 1.00 0.00 C +ATOM 24 CA HIS A 24 252.947 234.430 244.784 1.00 0.00 C +ATOM 25 CA VAL A 25 253.962 231.190 243.057 1.00 0.00 C +ATOM 26 CA THR A 26 257.503 230.881 241.683 1.00 0.00 C +ATOM 27 CA LYS A 27 261.082 230.920 240.377 1.00 0.00 C +ATOM 28 CA LYS A 28 261.135 232.683 237.000 1.00 0.00 C +ATOM 29 CA GLN A 29 258.506 232.987 234.259 1.00 0.00 C +ATOM 30 CA ARG A 30 256.777 236.223 233.231 1.00 0.00 C +ATOM 31 CA ASN A 31 255.860 238.924 230.705 1.00 0.00 C +ATOM 32 CA ASP A 32 252.458 240.530 230.104 1.00 0.00 C +ATOM 33 CA VAL A 33 249.466 242.002 231.948 1.00 0.00 C +ATOM 34 CA HIS A 34 246.672 239.664 233.063 1.00 0.00 C +ATOM 35 CA LEU A 35 243.621 237.584 232.124 1.00 0.00 C +ATOM 36 CA ARG A 36 241.486 235.207 234.199 1.00 0.00 C +ATOM 37 CA ALA A 37 243.567 234.152 237.211 1.00 0.00 C +ATOM 38 CA PRO A 38 247.223 234.749 238.102 1.00 0.00 C +ATOM 39 CA LEU A 39 249.161 237.366 240.080 1.00 0.00 C +ATOM 40 CA LEU A 40 249.198 241.156 239.692 1.00 0.00 C +ATOM 41 CA ARG A 41 251.002 244.269 240.944 1.00 0.00 C +ATOM 42 CA GLU A 42 251.265 247.751 239.421 1.00 0.00 C +ATOM 43 CA ASN A 43 248.914 250.749 239.457 1.00 0.00 C +ATOM 44 CA GLY A 44 246.290 252.476 241.613 1.00 0.00 C +ATOM 45 CA ASP A 45 242.704 253.699 242.016 1.00 0.00 C +ATOM 46 CA SER A 46 240.843 257.019 242.185 1.00 0.00 C +ATOM 47 CA GLU A 47 240.944 260.069 239.904 1.00 0.00 C +ATOM 48 CA ALA A 48 240.852 263.777 240.772 1.00 0.00 C +ATOM 49 CA GLY A 49 239.311 265.081 244.003 1.00 0.00 C +ATOM 50 CA ALA A 50 239.448 262.840 247.082 1.00 0.00 C +ATOM 51 CA GLU A 51 237.631 264.605 249.928 1.00 0.00 C +ATOM 52 CA PRO A 52 235.670 267.857 250.233 1.00 0.00 C +ATOM 53 CA GLY A 53 236.779 270.448 252.797 1.00 0.00 C +ATOM 54 CA ARG A 54 235.814 273.400 255.004 1.00 0.00 C +ATOM 55 CA GLY A 55 233.644 276.234 256.337 1.00 0.00 C +ATOM 56 CA SER A 56 230.952 278.831 257.060 1.00 0.00 C +ATOM 57 CA GLU A 57 228.418 280.077 254.502 1.00 0.00 C +ATOM 58 CA ASP A 58 230.254 279.944 251.165 1.00 0.00 C +ATOM 59 CA SER A 59 233.336 279.512 248.968 1.00 0.00 C +ATOM 60 CA THR A 60 232.192 278.947 245.377 1.00 0.00 C +ATOM 61 CA GLU A 61 231.997 281.955 243.048 1.00 0.00 C +ATOM 62 CA ALA A 62 233.155 283.253 239.658 1.00 0.00 C +ATOM 63 CA SER A 63 232.524 281.608 236.280 1.00 0.00 C +ATOM 64 CA SER A 64 232.853 279.369 233.215 1.00 0.00 C +ATOM 65 CA THR A 65 229.787 280.149 231.091 1.00 0.00 C +ATOM 66 CA SER A 66 228.662 277.052 229.179 1.00 0.00 C +ATOM 67 CA GLN A 67 227.858 277.489 225.480 1.00 0.00 C +ATOM 68 CA ALA A 68 229.685 278.633 222.338 1.00 0.00 C +ATOM 69 CA VAL A 69 228.075 279.034 218.909 1.00 0.00 C +ATOM 70 CA GLU A 70 224.346 278.407 219.380 1.00 0.00 C +TER 71 GLU A 70 +END diff --git a/Mammals/Q5VW31/Q5VW31.dcd b/Mammals/Q5VW31/Q5VW31.dcd new file mode 100644 index 0000000000000000000000000000000000000000..13c7ade059838b6915ad84fc68af41bd40fffbc9 --- /dev/null +++ b/Mammals/Q5VW31/Q5VW31.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d5caffe2867085a3f1bc245a93795bf4f690d8754196803c0783ce5094e57d7f +size 20960276 diff --git a/Mammals/Q5VW31/top.pdb b/Mammals/Q5VW31/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..fdea1a3afdbefc1332628f81fb23e04216d140c0 --- /dev/null +++ b/Mammals/Q5VW31/top.pdb @@ -0,0 +1,172 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 265.285 253.247 214.045 1.00 0.00 C +ATOM 2 CA ASN A 2 261.960 253.407 215.900 1.00 0.00 C +ATOM 3 CA SER A 3 259.432 251.136 217.622 1.00 0.00 C +ATOM 4 CA GLY A 4 258.468 247.584 218.607 1.00 0.00 C +ATOM 5 CA VAL A 5 254.697 247.101 218.854 1.00 0.00 C +ATOM 6 CA ASN A 6 251.284 245.680 219.772 1.00 0.00 C +ATOM 7 CA LEU A 7 250.945 243.842 223.093 1.00 0.00 C +ATOM 8 CA GLN A 8 251.840 245.426 226.440 1.00 0.00 C +ATOM 9 CA ARG A 9 254.736 243.561 228.070 1.00 0.00 C +ATOM 10 CA SER A 10 258.506 243.011 228.066 1.00 0.00 C +ATOM 11 CA LEU A 11 260.746 241.808 225.228 1.00 0.00 C +ATOM 12 CA SER A 12 264.372 242.669 224.439 1.00 0.00 C +ATOM 13 CA SER A 13 266.348 242.746 227.696 1.00 0.00 C +ATOM 14 CA PRO A 14 266.917 245.209 230.546 1.00 0.00 C +ATOM 15 CA PRO A 15 267.581 243.059 233.621 1.00 0.00 C +ATOM 16 CA SER A 16 266.320 241.554 236.886 1.00 0.00 C +ATOM 17 CA SER A 17 262.911 239.889 236.538 1.00 0.00 C +ATOM 18 CA LYS A 18 260.340 239.130 233.831 1.00 0.00 C +ATOM 19 CA ARG A 19 257.675 236.767 235.183 1.00 0.00 C +ATOM 20 CA PRO A 20 255.024 238.984 236.788 1.00 0.00 C +ATOM 21 CA LYS A 21 255.643 240.210 240.342 1.00 0.00 C +ATOM 22 CA THR A 22 256.770 242.451 243.210 1.00 0.00 C +ATOM 23 CA ILE A 23 258.350 245.341 245.124 1.00 0.00 C +ATOM 24 CA SER A 24 259.504 248.160 242.835 1.00 0.00 C +ATOM 25 CA ILE A 25 258.036 251.457 241.614 1.00 0.00 C +ATOM 26 CA ASP A 26 256.145 254.664 242.423 1.00 0.00 C +ATOM 27 CA GLU A 27 253.173 254.693 244.808 1.00 0.00 C +ATOM 28 CA ASN A 28 253.522 251.843 247.312 1.00 0.00 C +ATOM 29 CA MET A 29 251.903 252.211 250.741 1.00 0.00 C +ATOM 30 CA GLU A 30 250.615 254.801 253.220 1.00 0.00 C +ATOM 31 CA PRO A 31 248.543 254.405 256.393 1.00 0.00 C +ATOM 32 CA SER A 32 246.619 256.376 259.026 1.00 0.00 C +ATOM 33 CA PRO A 33 244.425 259.435 258.436 1.00 0.00 C +ATOM 34 CA THR A 34 246.272 262.739 258.865 1.00 0.00 C +ATOM 35 CA GLY A 35 248.415 265.759 259.762 1.00 0.00 C +ATOM 36 CA ASP A 36 251.178 267.563 257.857 1.00 0.00 C +ATOM 37 CA PHE A 37 254.939 266.955 257.927 1.00 0.00 C +ATOM 38 CA TYR A 38 257.877 264.741 256.935 1.00 0.00 C +ATOM 39 CA PRO A 39 261.104 266.676 257.535 1.00 0.00 C +ATOM 40 CA SER A 40 261.117 269.823 259.684 1.00 0.00 C +ATOM 41 CA PRO A 41 261.364 272.283 262.582 1.00 0.00 C +ATOM 42 CA SER A 42 262.296 273.750 265.973 1.00 0.00 C +ATOM 43 CA SER A 43 262.156 271.462 269.015 1.00 0.00 C +ATOM 44 CA PRO A 44 260.934 268.090 267.728 1.00 0.00 C +ATOM 45 CA ALA A 45 263.263 265.205 268.601 1.00 0.00 C +ATOM 46 CA ALA A 46 264.286 264.114 272.106 1.00 0.00 C +ATOM 47 CA GLY A 47 264.031 264.813 275.842 1.00 0.00 C +ATOM 48 CA SER A 48 267.115 265.842 277.829 1.00 0.00 C +ATOM 49 CA ARG A 49 266.459 268.010 280.892 1.00 0.00 C +ATOM 50 CA THR A 50 263.453 268.318 283.212 1.00 0.00 C +ATOM 51 CA TRP A 51 261.412 265.190 283.967 1.00 0.00 C +ATOM 52 CA HIS A 52 260.164 262.035 282.235 1.00 0.00 C +ATOM 53 CA GLU A 53 257.367 263.209 279.930 1.00 0.00 C +ATOM 54 CA ARG A 54 256.604 264.210 276.334 1.00 0.00 C +ATOM 55 CA ASP A 55 257.027 267.852 275.299 1.00 0.00 C +ATOM 56 CA GLN A 56 254.995 268.669 272.181 1.00 0.00 C +ATOM 57 CA ASP A 57 255.790 272.088 270.701 1.00 0.00 C +ATOM 58 CA MET A 58 254.956 275.637 271.807 1.00 0.00 C +ATOM 59 CA SER A 59 255.194 278.011 268.837 1.00 0.00 C +ATOM 60 CA SER A 60 253.198 279.467 265.937 1.00 0.00 C +ATOM 61 CA PRO A 61 254.243 280.470 262.413 1.00 0.00 C +ATOM 62 CA THR A 62 253.598 278.724 259.088 1.00 0.00 C +ATOM 63 CA THR A 63 250.276 280.071 257.797 1.00 0.00 C +ATOM 64 CA MET A 64 247.183 282.169 257.058 1.00 0.00 C +ATOM 65 CA LYS A 65 245.771 285.393 258.516 1.00 0.00 C +ATOM 66 CA LYS A 66 243.401 286.739 255.853 1.00 0.00 C +ATOM 67 CA PRO A 67 240.531 284.654 254.464 1.00 0.00 C +ATOM 68 CA GLU A 68 237.250 283.669 256.133 1.00 0.00 C +ATOM 69 CA LYS A 69 233.500 283.001 256.054 1.00 0.00 C +ATOM 70 CA PRO A 70 231.238 281.690 253.283 1.00 0.00 C +ATOM 71 CA LEU A 71 229.068 278.891 254.687 1.00 0.00 C +ATOM 72 CA PHE A 72 229.103 275.525 252.902 1.00 0.00 C +ATOM 73 CA SER A 73 229.232 272.206 251.036 1.00 0.00 C +ATOM 74 CA SER A 74 228.048 269.891 248.251 1.00 0.00 C +ATOM 75 CA ALA A 75 226.826 270.462 244.688 1.00 0.00 C +ATOM 76 CA SER A 76 229.940 270.129 242.519 1.00 0.00 C +ATOM 77 CA PRO A 77 231.793 267.468 240.520 1.00 0.00 C +ATOM 78 CA GLN A 78 232.611 264.197 238.744 1.00 0.00 C +ATOM 79 CA ASP A 79 232.184 263.664 234.996 1.00 0.00 C +ATOM 80 CA SER A 80 230.711 264.607 231.611 1.00 0.00 C +ATOM 81 CA SER A 81 228.884 262.183 229.309 1.00 0.00 C +ATOM 82 CA PRO A 82 229.327 263.011 225.617 1.00 0.00 C +ATOM 83 CA ARG A 83 232.988 263.779 224.891 1.00 0.00 C +ATOM 84 CA LEU A 84 234.035 261.050 222.448 1.00 0.00 C +ATOM 85 CA SER A 85 231.675 258.493 220.894 1.00 0.00 C +ATOM 86 CA THR A 86 230.378 256.323 223.744 1.00 0.00 C +ATOM 87 CA PHE A 87 228.885 252.945 224.679 1.00 0.00 C +ATOM 88 CA PRO A 88 228.045 250.779 221.659 1.00 0.00 C +ATOM 89 CA GLN A 89 225.520 248.195 220.451 1.00 0.00 C +ATOM 90 CA HIS A 90 225.103 245.591 223.201 1.00 0.00 C +ATOM 91 CA HIS A 91 226.109 243.068 225.873 1.00 0.00 C +ATOM 92 CA HIS A 92 228.406 240.615 224.078 1.00 0.00 C +ATOM 93 CA PRO A 93 231.958 241.833 224.723 1.00 0.00 C +ATOM 94 CA GLY A 94 233.538 244.924 223.153 1.00 0.00 C +ATOM 95 CA ILE A 95 234.365 248.336 224.634 1.00 0.00 C +ATOM 96 CA PRO A 96 236.499 247.837 227.750 1.00 0.00 C +ATOM 97 CA GLY A 97 237.852 244.290 228.082 1.00 0.00 C +ATOM 98 CA VAL A 98 238.404 240.973 229.873 1.00 0.00 C +ATOM 99 CA ALA A 99 239.204 239.335 233.219 1.00 0.00 C +ATOM 100 CA HIS A 100 240.530 238.511 236.694 1.00 0.00 C +ATOM 101 CA SER A 101 243.984 236.930 236.398 1.00 0.00 C +ATOM 102 CA VAL A 102 244.343 234.224 239.056 1.00 0.00 C +ATOM 103 CA ILE A 103 248.042 234.006 239.942 1.00 0.00 C +ATOM 104 CA SER A 104 249.786 233.855 236.558 1.00 0.00 C +ATOM 105 CA THR A 105 251.097 230.566 235.150 1.00 0.00 C +ATOM 106 CA ARG A 106 254.337 228.737 235.972 1.00 0.00 C +ATOM 107 CA THR A 107 258.033 228.102 236.644 1.00 0.00 C +ATOM 108 CA PRO A 108 260.477 225.216 237.108 1.00 0.00 C +ATOM 109 CA PRO A 109 262.374 222.520 239.018 1.00 0.00 C +ATOM 110 CA PRO A 110 261.708 219.342 237.026 1.00 0.00 C +ATOM 111 CA PRO A 111 258.540 217.593 235.834 1.00 0.00 C +ATOM 112 CA SER A 112 256.063 215.777 238.089 1.00 0.00 C +ATOM 113 CA PRO A 113 254.941 216.163 241.710 1.00 0.00 C +ATOM 114 CA LEU A 114 255.549 219.048 244.123 1.00 0.00 C +ATOM 115 CA PRO A 115 258.456 221.450 244.666 1.00 0.00 C +ATOM 116 CA PHE A 116 260.053 222.661 247.906 1.00 0.00 C +ATOM 117 CA PRO A 117 260.690 226.290 248.874 1.00 0.00 C +ATOM 118 CA THR A 118 263.043 228.561 250.830 1.00 0.00 C +ATOM 119 CA GLN A 119 262.069 232.172 251.553 1.00 0.00 C +ATOM 120 CA ALA A 120 259.507 234.119 249.513 1.00 0.00 C +ATOM 121 CA ILE A 121 257.537 236.180 246.986 1.00 0.00 C +ATOM 122 CA LEU A 122 253.833 235.295 247.095 1.00 0.00 C +ATOM 123 CA PRO A 123 252.563 235.022 250.677 1.00 0.00 C +ATOM 124 CA PRO A 124 250.647 233.941 253.787 1.00 0.00 C +ATOM 125 CA ALA A 125 248.182 236.465 255.226 1.00 0.00 C +ATOM 126 CA PRO A 126 244.598 237.746 255.043 1.00 0.00 C +ATOM 127 CA SER A 127 244.474 241.187 256.673 1.00 0.00 C +ATOM 128 CA SER A 128 242.265 243.779 254.963 1.00 0.00 C +ATOM 129 CA TYR A 129 238.475 243.642 255.323 1.00 0.00 C +ATOM 130 CA PHE A 130 236.420 246.307 257.110 1.00 0.00 C +ATOM 131 CA SER A 131 232.721 246.962 257.745 1.00 0.00 C +ATOM 132 CA HIS A 132 229.536 245.461 259.203 1.00 0.00 C +ATOM 133 CA PRO A 133 229.040 243.964 262.671 1.00 0.00 C +ATOM 134 CA THR A 134 232.166 241.870 263.271 1.00 0.00 C +ATOM 135 CA ILE A 135 232.685 239.880 266.478 1.00 0.00 C +ATOM 136 CA ARG A 136 233.703 236.337 265.515 1.00 0.00 C +ATOM 137 CA TYR A 137 233.620 233.904 262.584 1.00 0.00 C +ATOM 138 CA PRO A 138 230.984 234.962 260.045 1.00 0.00 C +ATOM 139 CA PRO A 139 232.906 236.449 257.111 1.00 0.00 C +ATOM 140 CA HIS A 140 236.257 236.970 255.374 1.00 0.00 C +ATOM 141 CA LEU A 141 238.837 235.659 257.851 1.00 0.00 C +ATOM 142 CA ASN A 142 239.679 234.943 261.498 1.00 0.00 C +ATOM 143 CA PRO A 143 241.536 231.617 261.434 1.00 0.00 C +ATOM 144 CA GLN A 144 241.454 229.115 264.306 1.00 0.00 C +ATOM 145 CA ASP A 145 242.728 225.524 264.344 1.00 0.00 C +ATOM 146 CA THR A 146 246.417 224.674 264.776 1.00 0.00 C +ATOM 147 CA LEU A 147 249.465 222.436 264.309 1.00 0.00 C +ATOM 148 CA LYS A 148 251.399 223.286 261.138 1.00 0.00 C +ATOM 149 CA ASN A 149 252.139 225.911 258.478 1.00 0.00 C +ATOM 150 CA TYR A 150 251.705 229.697 258.486 1.00 0.00 C +ATOM 151 CA VAL A 151 250.367 232.470 260.730 1.00 0.00 C +ATOM 152 CA PRO A 152 251.089 235.802 262.430 1.00 0.00 C +ATOM 153 CA SER A 153 253.328 237.239 265.158 1.00 0.00 C +ATOM 154 CA TYR A 154 255.214 240.007 266.974 1.00 0.00 C +ATOM 155 CA ASP A 155 258.595 240.474 268.667 1.00 0.00 C +ATOM 156 CA PRO A 156 260.128 243.952 268.926 1.00 0.00 C +ATOM 157 CA SER A 157 261.127 247.346 267.511 1.00 0.00 C +ATOM 158 CA SER A 158 260.428 249.956 264.825 1.00 0.00 C +ATOM 159 CA PRO A 159 261.889 253.396 265.567 1.00 0.00 C +ATOM 160 CA GLN A 160 264.636 254.828 267.784 1.00 0.00 C +ATOM 161 CA THR A 161 264.801 257.695 270.288 1.00 0.00 C +ATOM 162 CA SER A 162 267.619 256.807 272.694 1.00 0.00 C +ATOM 163 CA GLN A 163 269.397 256.967 276.059 1.00 0.00 C +ATOM 164 CA SER A 164 273.048 258.045 276.221 1.00 0.00 C +ATOM 165 CA TRP A 165 276.632 257.537 275.033 1.00 0.00 C +ATOM 166 CA TYR A 166 280.393 258.125 274.877 1.00 0.00 C +ATOM 167 CA LEU A 167 283.426 255.821 274.783 1.00 0.00 C +ATOM 168 CA GLY A 168 287.005 256.953 274.131 1.00 0.00 C +TER 169 GLY A 168 +END diff --git a/Mammals/Q5W276/Q5W276.dcd b/Mammals/Q5W276/Q5W276.dcd new file mode 100644 index 0000000000000000000000000000000000000000..89eedc7e48a42b61c6807dccc5ace32ef25384f9 --- /dev/null +++ b/Mammals/Q5W276/Q5W276.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5b2b20f3040dfea9a8486258f23fc56ed8ca5d641e9f564adc94d998d92a596c +size 10400276 diff --git a/Mammals/Q5W276/top.pdb b/Mammals/Q5W276/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8c7ecf3be19430689f84d130dfa76a935c13c2f8 --- /dev/null +++ b/Mammals/Q5W276/top.pdb @@ -0,0 +1,84 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA VAL A 1 265.370 275.718 251.355 1.00 0.00 C +ATOM 2 CA SER A 2 262.564 277.093 249.174 1.00 0.00 C +ATOM 3 CA ASP A 3 263.307 280.010 246.839 1.00 0.00 C +ATOM 4 CA PRO A 4 265.927 282.669 247.600 1.00 0.00 C +ATOM 5 CA SER A 5 268.878 282.566 250.008 1.00 0.00 C +ATOM 6 CA SER A 6 270.300 283.360 253.453 1.00 0.00 C +ATOM 7 CA THR A 7 267.792 283.504 256.317 1.00 0.00 C +ATOM 8 CA VAL A 8 269.764 284.792 259.312 1.00 0.00 C +ATOM 9 CA HIS A 9 268.577 283.187 262.557 1.00 0.00 C +ATOM 10 CA ARG A 10 270.262 280.405 264.541 1.00 0.00 C +ATOM 11 CA PRO A 11 269.675 277.112 266.365 1.00 0.00 C +ATOM 12 CA GLN A 12 266.510 274.998 266.188 1.00 0.00 C +ATOM 13 CA PRO A 13 263.887 272.313 265.535 1.00 0.00 C +ATOM 14 CA LEU A 14 260.192 271.394 265.666 1.00 0.00 C +ATOM 15 CA PRO A 15 256.576 272.592 265.606 1.00 0.00 C +ATOM 16 CA PRO A 16 254.855 270.844 262.691 1.00 0.00 C +ATOM 17 CA SER A 17 255.659 267.463 261.129 1.00 0.00 C +ATOM 18 CA THR A 18 254.861 266.152 257.642 1.00 0.00 C +ATOM 19 CA VAL A 19 253.620 264.768 254.316 1.00 0.00 C +ATOM 20 CA HIS A 20 252.456 265.449 250.753 1.00 0.00 C +ATOM 21 CA GLN A 21 248.808 265.224 249.678 1.00 0.00 C +ATOM 22 CA SER A 22 246.383 263.605 252.130 1.00 0.00 C +ATOM 23 CA THR A 23 244.809 260.465 253.607 1.00 0.00 C +ATOM 24 CA ILE A 24 247.604 258.287 255.007 1.00 0.00 C +ATOM 25 CA PRO A 25 249.103 259.615 258.248 1.00 0.00 C +ATOM 26 CA SER A 26 247.847 257.701 261.293 1.00 0.00 C +ATOM 27 CA ASN A 27 246.646 254.395 262.759 1.00 0.00 C +ATOM 28 CA ALA A 28 249.655 252.094 263.170 1.00 0.00 C +ATOM 29 CA ASP A 29 249.545 248.650 264.797 1.00 0.00 C +ATOM 30 CA SER A 30 251.106 246.097 262.439 1.00 0.00 C +ATOM 31 CA SER A 31 249.897 242.491 262.666 1.00 0.00 C +ATOM 32 CA SER A 32 248.135 241.692 259.384 1.00 0.00 C +ATOM 33 CA ALA A 33 249.814 239.160 257.085 1.00 0.00 C +ATOM 34 CA TYR A 34 250.678 235.493 256.518 1.00 0.00 C +ATOM 35 CA CYS A 35 254.399 234.676 256.581 1.00 0.00 C +ATOM 36 CA LEU A 36 255.314 231.396 254.872 1.00 0.00 C +ATOM 37 CA PRO A 37 255.129 230.602 251.150 1.00 0.00 C +ATOM 38 CA SER A 38 256.761 231.580 247.849 1.00 0.00 C +ATOM 39 CA THR A 39 254.780 232.982 244.912 1.00 0.00 C +ATOM 40 CA ARG A 40 254.290 236.551 243.671 1.00 0.00 C +ATOM 41 CA HIS A 41 254.334 240.331 244.141 1.00 0.00 C +ATOM 42 CA GLY A 42 257.099 242.488 245.632 1.00 0.00 C +ATOM 43 CA PHE A 43 260.786 242.194 246.545 1.00 0.00 C +ATOM 44 CA SER A 44 260.882 242.534 250.339 1.00 0.00 C +ATOM 45 CA SER A 45 257.505 241.467 251.746 1.00 0.00 C +ATOM 46 CA TYR A 46 255.898 238.132 250.846 1.00 0.00 C +ATOM 47 CA THR A 47 252.092 237.955 250.878 1.00 0.00 C +ATOM 48 CA ASP A 48 248.386 237.893 249.996 1.00 0.00 C +ATOM 49 CA SER A 49 245.404 235.605 250.614 1.00 0.00 C +ATOM 50 CA PHE A 50 242.318 237.514 249.451 1.00 0.00 C +ATOM 51 CA VAL A 51 239.231 236.097 251.176 1.00 0.00 C +ATOM 52 CA PRO A 52 239.367 236.730 254.931 1.00 0.00 C +ATOM 53 CA PRO A 53 237.120 238.522 257.432 1.00 0.00 C +ATOM 54 CA SER A 54 233.890 237.978 259.378 1.00 0.00 C +ATOM 55 CA GLY A 55 230.809 238.466 257.190 1.00 0.00 C +ATOM 56 CA PRO A 56 231.427 236.886 253.779 1.00 0.00 C +ATOM 57 CA SER A 57 230.822 238.652 250.458 1.00 0.00 C +ATOM 58 CA ASN A 58 232.221 238.633 246.914 1.00 0.00 C +ATOM 59 CA PRO A 59 231.664 235.198 245.361 1.00 0.00 C +ATOM 60 CA MET A 60 229.365 232.174 245.647 1.00 0.00 C +ATOM 61 CA ASN A 61 227.611 230.736 242.585 1.00 0.00 C +ATOM 62 CA PRO A 62 230.185 230.576 239.781 1.00 0.00 C +ATOM 63 CA THR A 63 233.518 232.174 238.859 1.00 0.00 C +ATOM 64 CA ILE A 64 234.982 235.613 238.116 1.00 0.00 C +ATOM 65 CA GLY A 65 237.282 238.522 237.247 1.00 0.00 C +ATOM 66 CA ASN A 66 239.267 241.289 238.956 1.00 0.00 C +ATOM 67 CA GLY A 67 242.074 242.949 240.927 1.00 0.00 C +ATOM 68 CA LEU A 68 242.903 246.369 242.387 1.00 0.00 C +ATOM 69 CA SER A 69 245.609 246.146 245.059 1.00 0.00 C +ATOM 70 CA PRO A 70 249.388 246.547 245.341 1.00 0.00 C +ATOM 71 CA GLN A 71 250.712 247.928 242.047 1.00 0.00 C +ATOM 72 CA ASN A 72 251.949 246.270 238.848 1.00 0.00 C +ATOM 73 CA SER A 73 251.257 243.783 236.045 1.00 0.00 C +ATOM 74 CA ILE A 74 248.736 241.914 233.884 1.00 0.00 C +ATOM 75 CA ARG A 75 245.649 239.798 233.173 1.00 0.00 C +ATOM 76 CA HIS A 76 246.492 236.846 230.917 1.00 0.00 C +ATOM 77 CA ASN A 77 245.138 236.712 227.358 1.00 0.00 C +ATOM 78 CA LEU A 78 246.081 236.811 223.668 1.00 0.00 C +ATOM 79 CA SER A 79 245.797 236.570 219.876 1.00 0.00 C +ATOM 80 CA LEU A 80 243.018 237.852 217.607 1.00 0.00 C +TER 81 LEU A 80 +END diff --git a/Mammals/Q5XFY7/Q5XFY7.dcd b/Mammals/Q5XFY7/Q5XFY7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..9f7a5c58ce8774c58653fb8fc2830c1e558c18c4 --- /dev/null +++ b/Mammals/Q5XFY7/Q5XFY7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a68016aff57b203b02499a88355008c8ac89a57090cfa090e6c3dd3b1c3721ea +size 7640276 diff --git a/Mammals/Q5XFY7/top.pdb b/Mammals/Q5XFY7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..911cb740aab1cdbcf729c6d7a9937c11bb71dda7 --- /dev/null +++ b/Mammals/Q5XFY7/top.pdb @@ -0,0 +1,61 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ARG A 1 272.753 261.108 233.007 1.00 0.00 C +ATOM 2 CA GLY A 2 274.080 261.961 236.475 1.00 0.00 C +ATOM 3 CA ASN A 3 271.953 261.404 239.587 1.00 0.00 C +ATOM 4 CA PRO A 4 269.530 258.467 239.456 1.00 0.00 C +ATOM 5 CA GLY A 5 268.327 255.009 240.512 1.00 0.00 C +ATOM 6 CA GLY A 6 270.200 251.697 240.323 1.00 0.00 C +ATOM 7 CA LYS A 7 271.024 248.024 239.734 1.00 0.00 C +ATOM 8 CA GLN A 8 271.803 245.914 242.809 1.00 0.00 C +ATOM 9 CA ASP A 9 269.830 245.518 246.045 1.00 0.00 C +ATOM 10 CA ALA A 10 269.302 248.648 248.151 1.00 0.00 C +ATOM 11 CA ASN A 11 265.842 249.473 249.518 1.00 0.00 C +ATOM 12 CA CYS A 12 263.691 246.681 250.963 1.00 0.00 C +ATOM 13 CA VAL A 13 264.608 245.043 254.279 1.00 0.00 C +ATOM 14 CA ARG A 14 262.679 246.925 256.972 1.00 0.00 C +ATOM 15 CA PRO A 15 263.002 250.391 258.522 1.00 0.00 C +ATOM 16 CA ASP A 16 262.128 251.531 262.051 1.00 0.00 C +ATOM 17 CA GLY A 17 259.854 254.352 263.229 1.00 0.00 C +ATOM 18 CA PRO A 18 257.160 255.885 261.015 1.00 0.00 C +ATOM 19 CA LEU A 19 256.847 259.677 260.823 1.00 0.00 C +ATOM 20 CA ASN A 20 255.303 261.831 263.560 1.00 0.00 C +ATOM 21 CA LYS A 21 253.199 262.681 266.621 1.00 0.00 C +ATOM 22 CA ALA A 22 249.457 263.388 266.749 1.00 0.00 C +ATOM 23 CA GLN A 23 247.756 263.075 263.355 1.00 0.00 C +ATOM 24 CA GLU A 24 244.261 261.577 263.593 1.00 0.00 C +ATOM 25 CA ASP A 25 241.631 263.036 265.934 1.00 0.00 C +ATOM 26 CA SER A 26 238.053 261.741 265.736 1.00 0.00 C +ATOM 27 CA ARG A 27 234.430 261.585 264.569 1.00 0.00 C +ATOM 28 CA GLY A 28 232.865 263.743 261.846 1.00 0.00 C +ATOM 29 CA VAL A 29 233.130 264.416 258.106 1.00 0.00 C +ATOM 30 CA GLY A 30 235.217 266.681 255.864 1.00 0.00 C +ATOM 31 CA THR A 31 237.345 264.617 253.471 1.00 0.00 C +ATOM 32 CA PRO A 32 237.617 261.205 251.798 1.00 0.00 C +ATOM 33 CA GLU A 33 238.937 257.710 251.050 1.00 0.00 C +ATOM 34 CA PRO A 34 242.187 256.615 249.390 1.00 0.00 C +ATOM 35 CA THR A 35 242.253 255.275 245.824 1.00 0.00 C +ATOM 36 CA ASN A 36 244.686 253.313 243.645 1.00 0.00 C +ATOM 37 CA SER A 37 245.938 250.039 245.136 1.00 0.00 C +ATOM 38 CA ALA A 38 243.543 247.560 246.759 1.00 0.00 C +ATOM 39 CA GLU A 39 243.804 244.740 249.307 1.00 0.00 C +ATOM 40 CA GLU A 40 247.150 245.244 251.058 1.00 0.00 C +ATOM 41 CA PRO A 41 249.526 242.275 251.297 1.00 0.00 C +ATOM 42 CA GLU A 42 251.821 240.575 248.776 1.00 0.00 C +ATOM 43 CA HIS A 43 251.767 238.051 245.922 1.00 0.00 C +ATOM 44 CA ALA A 44 250.257 238.983 242.550 1.00 0.00 C +ATOM 45 CA ALA A 45 247.150 241.036 243.355 1.00 0.00 C +ATOM 46 CA ASN A 46 245.177 243.891 241.783 1.00 0.00 C +ATOM 47 CA GLY A 47 241.525 244.642 240.995 1.00 0.00 C +ATOM 48 CA SER A 48 238.183 245.470 242.627 1.00 0.00 C +ATOM 49 CA ALA A 49 235.322 243.402 244.059 1.00 0.00 C +ATOM 50 CA SER A 50 235.311 239.632 243.506 1.00 0.00 C +ATOM 51 CA PRO A 51 234.542 237.190 240.684 1.00 0.00 C +ATOM 52 CA ALA A 52 232.135 234.598 239.268 1.00 0.00 C +ATOM 53 CA PRO A 53 232.647 231.154 240.814 1.00 0.00 C +ATOM 54 CA THR A 54 234.209 228.101 242.475 1.00 0.00 C +ATOM 55 CA GLN A 55 236.251 226.329 245.159 1.00 0.00 C +ATOM 56 CA SER A 56 239.704 224.918 245.932 1.00 0.00 C +ATOM 57 CA SER A 57 241.098 221.971 243.959 1.00 0.00 C +TER 58 SER A 57 +END diff --git a/Mammals/Q5XIB5/Q5XIB5.dcd b/Mammals/Q5XIB5/Q5XIB5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..7d949f5974d27d2b8c829cab2a6b0a832a77acc7 --- /dev/null +++ b/Mammals/Q5XIB5/Q5XIB5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d3a5ca12c5368f4471bf243f70894d29fbc3ffff164274d984fc655eb79f544b +size 83440276 diff --git a/Mammals/Q5XIB5/top.pdb b/Mammals/Q5XIB5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b64afb17187061272ac1025fad50d82d170984f8 --- /dev/null +++ b/Mammals/Q5XIB5/top.pdb @@ -0,0 +1,345 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 880.000 880.000 880.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 410.141 410.169 480.186 1.00 0.00 C +ATOM 2 CA GLY A 2 409.898 408.846 476.622 1.00 0.00 C +ATOM 3 CA THR A 3 409.298 411.682 474.149 1.00 0.00 C +ATOM 4 CA PRO A 4 411.664 413.796 472.040 1.00 0.00 C +ATOM 5 CA LEU A 5 411.432 417.300 473.518 1.00 0.00 C +ATOM 6 CA ARG A 6 411.091 420.994 474.389 1.00 0.00 C +ATOM 7 CA ARG A 7 413.428 423.998 474.232 1.00 0.00 C +ATOM 8 CA SER A 8 416.442 423.547 476.518 1.00 0.00 C +ATOM 9 CA ARG A 9 419.312 421.468 475.120 1.00 0.00 C +ATOM 10 CA ARG A 10 419.038 417.730 474.434 1.00 0.00 C +ATOM 11 CA LEU A 11 419.251 414.055 475.416 1.00 0.00 C +ATOM 12 CA GLU A 12 417.902 410.861 473.837 1.00 0.00 C +ATOM 13 CA GLY A 13 420.146 408.014 472.667 1.00 0.00 C +ATOM 14 CA LEU A 14 419.975 404.310 471.790 1.00 0.00 C +ATOM 15 CA ASN A 15 421.749 401.242 470.392 1.00 0.00 C +ATOM 16 CA PRO A 16 420.680 397.668 469.617 1.00 0.00 C +ATOM 17 CA LEU A 17 419.766 395.585 472.673 1.00 0.00 C +ATOM 18 CA SER A 18 417.020 397.375 474.615 1.00 0.00 C +ATOM 19 CA LEU A 19 417.708 400.138 477.146 1.00 0.00 C +ATOM 20 CA GLU A 20 418.522 401.688 480.530 1.00 0.00 C +ATOM 21 CA ASN A 21 419.221 399.082 483.221 1.00 0.00 C +ATOM 22 CA LEU A 22 420.007 395.754 484.902 1.00 0.00 C +ATOM 23 CA PRO A 23 423.075 393.577 485.504 1.00 0.00 C +ATOM 24 CA ASP A 24 426.622 394.580 484.540 1.00 0.00 C +ATOM 25 CA PRO A 25 427.697 396.647 481.525 1.00 0.00 C +ATOM 26 CA GLU A 26 427.257 398.375 478.158 1.00 0.00 C +ATOM 27 CA VAL A 27 424.143 399.688 476.399 1.00 0.00 C +ATOM 28 CA SER A 28 423.980 403.480 476.734 1.00 0.00 C +ATOM 29 CA ARG A 29 424.499 407.065 477.916 1.00 0.00 C +ATOM 30 CA ALA A 30 422.407 409.874 479.415 1.00 0.00 C +ATOM 31 CA LYS A 31 422.869 413.445 480.660 1.00 0.00 C +ATOM 32 CA ARG A 32 426.058 413.454 482.745 1.00 0.00 C +ATOM 33 CA ALA A 33 429.328 415.097 481.685 1.00 0.00 C +ATOM 34 CA LEU A 34 431.362 413.888 478.698 1.00 0.00 C +ATOM 35 CA VAL A 35 433.391 413.619 475.485 1.00 0.00 C +ATOM 36 CA ASP A 36 434.074 410.553 473.330 1.00 0.00 C +ATOM 37 CA PHE A 37 431.895 408.885 470.687 1.00 0.00 C +ATOM 38 CA LYS A 38 429.631 407.846 467.804 1.00 0.00 C +ATOM 39 CA SER A 39 426.136 407.035 469.088 1.00 0.00 C +ATOM 40 CA ASN A 40 423.121 408.601 467.364 1.00 0.00 C +ATOM 41 CA PRO A 41 420.267 406.859 465.537 1.00 0.00 C +ATOM 42 CA GLU A 42 421.665 405.686 462.192 1.00 0.00 C +ATOM 43 CA GLU A 43 422.840 408.451 459.849 1.00 0.00 C +ATOM 44 CA THR A 44 420.047 410.539 458.315 1.00 0.00 C +ATOM 45 CA ARG A 45 416.897 412.386 457.224 1.00 0.00 C +ATOM 46 CA GLU A 46 417.117 415.854 455.663 1.00 0.00 C +ATOM 47 CA LEU A 47 417.872 417.471 452.297 1.00 0.00 C +ATOM 48 CA GLU A 48 419.699 415.622 449.511 1.00 0.00 C +ATOM 49 CA SER A 49 417.479 412.616 448.767 1.00 0.00 C +ATOM 50 CA PRO A 50 418.223 409.535 450.882 1.00 0.00 C +ATOM 51 CA ARG A 51 419.737 406.527 452.664 1.00 0.00 C +ATOM 52 CA VAL A 52 423.490 405.983 452.292 1.00 0.00 C +ATOM 53 CA PRO A 53 426.551 407.950 451.160 1.00 0.00 C +ATOM 54 CA PRO A 54 425.231 411.473 450.556 1.00 0.00 C +ATOM 55 CA LEU A 55 424.009 411.724 446.956 1.00 0.00 C +ATOM 56 CA ASP A 56 425.257 408.889 444.739 1.00 0.00 C +ATOM 57 CA LEU A 57 427.827 406.089 444.471 1.00 0.00 C +ATOM 58 CA VAL A 58 428.448 404.338 441.144 1.00 0.00 C +ATOM 59 CA SER A 59 430.897 401.498 440.473 1.00 0.00 C +ATOM 60 CA PRO A 60 431.848 398.935 443.127 1.00 0.00 C +ATOM 61 CA GLN A 61 433.567 399.601 446.461 1.00 0.00 C +ATOM 62 CA PRO A 62 435.237 396.284 447.314 1.00 0.00 C +ATOM 63 CA GLN A 63 437.296 393.713 449.228 1.00 0.00 C +ATOM 64 CA PRO A 64 436.782 389.953 448.891 1.00 0.00 C +ATOM 65 CA GLU A 65 435.339 386.441 449.219 1.00 0.00 C +ATOM 66 CA THR A 66 432.745 385.952 451.966 1.00 0.00 C +ATOM 67 CA SER A 67 431.987 386.552 455.651 1.00 0.00 C +ATOM 68 CA PRO A 68 433.859 384.165 457.957 1.00 0.00 C +ATOM 69 CA GLU A 69 435.687 385.762 460.894 1.00 0.00 C +ATOM 70 CA SER A 70 438.461 387.636 462.713 1.00 0.00 C +ATOM 71 CA PRO A 71 438.595 391.142 464.197 1.00 0.00 C +ATOM 72 CA CYS A 72 439.155 394.910 464.253 1.00 0.00 C +ATOM 73 CA PRO A 73 436.893 396.543 461.659 1.00 0.00 C +ATOM 74 CA LYS A 74 435.569 394.035 459.115 1.00 0.00 C +ATOM 75 CA GLN A 75 431.963 393.845 457.897 1.00 0.00 C +ATOM 76 CA ASP A 76 428.585 392.116 457.560 1.00 0.00 C +ATOM 77 CA ALA A 77 425.825 394.179 459.185 1.00 0.00 C +ATOM 78 CA GLY A 78 425.348 396.662 462.036 1.00 0.00 C +ATOM 79 CA PHE A 79 424.088 400.000 463.371 1.00 0.00 C +ATOM 80 CA GLY A 80 427.036 402.001 464.723 1.00 0.00 C +ATOM 81 CA SER A 81 427.636 404.861 462.279 1.00 0.00 C +ATOM 82 CA PRO A 82 428.273 403.694 458.708 1.00 0.00 C +ATOM 83 CA GLN A 83 428.530 401.016 456.011 1.00 0.00 C +ATOM 84 CA ARG A 84 432.032 399.570 455.611 1.00 0.00 C +ATOM 85 CA GLN A 85 435.622 400.617 454.882 1.00 0.00 C +ATOM 86 CA PRO A 86 435.842 404.421 454.890 1.00 0.00 C +ATOM 87 CA GLU A 87 437.078 405.474 458.337 1.00 0.00 C +ATOM 88 CA PRO A 88 435.571 408.183 460.551 1.00 0.00 C +ATOM 89 CA HIS A 89 437.830 410.861 462.047 1.00 0.00 C +ATOM 90 CA PRO A 90 441.538 411.603 462.510 1.00 0.00 C +ATOM 91 CA GLY A 91 444.493 413.054 464.430 1.00 0.00 C +ATOM 92 CA SER A 92 444.623 414.221 468.055 1.00 0.00 C +ATOM 93 CA LEU A 93 443.384 413.807 471.634 1.00 0.00 C +ATOM 94 CA GLN A 94 440.422 412.113 473.329 1.00 0.00 C +ATOM 95 CA LEU A 95 440.264 413.383 476.917 1.00 0.00 C +ATOM 96 CA HIS A 96 438.295 416.612 477.379 1.00 0.00 C +ATOM 97 CA GLN A 97 437.889 418.541 474.118 1.00 0.00 C +ATOM 98 CA ASP A 98 437.463 421.266 471.490 1.00 0.00 C +ATOM 99 CA LEU A 99 437.427 424.835 472.823 1.00 0.00 C +ATOM 100 CA GLY A 100 437.228 428.526 473.746 1.00 0.00 C +ATOM 101 CA LEU A 101 435.159 430.364 476.364 1.00 0.00 C +ATOM 102 CA ASP A 102 431.351 430.281 476.266 1.00 0.00 C +ATOM 103 CA SER A 103 430.220 433.710 477.480 1.00 0.00 C +ATOM 104 CA PRO A 104 431.691 437.215 477.212 1.00 0.00 C +ATOM 105 CA ALA A 105 433.338 440.170 475.459 1.00 0.00 C +ATOM 106 CA GLY A 106 431.195 442.910 473.905 1.00 0.00 C +ATOM 107 CA GLN A 107 428.066 445.041 473.474 1.00 0.00 C +ATOM 108 CA THR A 108 425.773 446.442 470.773 1.00 0.00 C +ATOM 109 CA GLU A 109 426.971 447.676 467.373 1.00 0.00 C +ATOM 110 CA SER A 110 430.477 449.157 467.195 1.00 0.00 C +ATOM 111 CA ASN A 111 432.583 448.024 470.161 1.00 0.00 C +ATOM 112 CA PRO A 112 436.036 446.431 469.931 1.00 0.00 C +ATOM 113 CA GLU A 113 438.989 447.679 467.872 1.00 0.00 C +ATOM 114 CA SER A 114 440.998 450.859 467.272 1.00 0.00 C +ATOM 115 CA PRO A 115 444.363 452.514 467.949 1.00 0.00 C +ATOM 116 CA GLN A 116 447.195 453.695 465.691 1.00 0.00 C +ATOM 117 CA ARG A 117 448.972 457.024 466.220 1.00 0.00 C +ATOM 118 CA GLU A 118 451.146 457.214 469.343 1.00 0.00 C +ATOM 119 CA GLN A 119 454.788 456.844 468.289 1.00 0.00 C +ATOM 120 CA SER A 120 458.058 458.796 468.156 1.00 0.00 C +ATOM 121 CA SER A 121 461.142 459.463 466.022 1.00 0.00 C +ATOM 122 CA LYS A 122 461.894 456.184 464.232 1.00 0.00 C +ATOM 123 CA LEU A 123 463.693 454.755 461.192 1.00 0.00 C +ATOM 124 CA SER A 124 465.181 457.491 458.999 1.00 0.00 C +ATOM 125 CA PRO A 125 467.107 459.776 461.362 1.00 0.00 C +ATOM 126 CA THR A 126 467.028 463.582 461.531 1.00 0.00 C +ATOM 127 CA GLN A 127 465.043 466.832 461.432 1.00 0.00 C +ATOM 128 CA ASP A 128 463.011 468.803 463.982 1.00 0.00 C +ATOM 129 CA SER A 129 459.242 469.354 464.017 1.00 0.00 C +ATOM 130 CA GLU A 130 456.457 467.215 462.539 1.00 0.00 C +ATOM 131 CA VAL A 131 456.912 463.539 461.649 1.00 0.00 C +ATOM 132 CA ALA A 132 457.450 460.369 459.605 1.00 0.00 C +ATOM 133 CA HIS A 133 457.195 459.887 455.834 1.00 0.00 C +ATOM 134 CA ALA A 134 455.622 457.635 453.194 1.00 0.00 C +ATOM 135 CA LYS A 135 458.291 455.087 452.245 1.00 0.00 C +ATOM 136 CA GLU A 136 458.090 451.584 450.759 1.00 0.00 C +ATOM 137 CA GLU A 137 458.905 448.071 449.529 1.00 0.00 C +ATOM 138 CA VAL A 138 460.259 444.941 451.228 1.00 0.00 C +ATOM 139 CA ILE A 139 463.440 443.631 452.865 1.00 0.00 C +ATOM 140 CA PRO A 140 467.035 444.888 452.981 1.00 0.00 C +ATOM 141 CA ARG A 141 469.550 447.509 451.832 1.00 0.00 C +ATOM 142 CA SER A 142 470.077 449.078 448.401 1.00 0.00 C +ATOM 143 CA PRO A 143 466.554 449.867 447.182 1.00 0.00 C +ATOM 144 CA GLU A 144 464.412 451.820 449.655 1.00 0.00 C +ATOM 145 CA PRO A 145 466.159 452.385 452.993 1.00 0.00 C +ATOM 146 CA CYS A 146 469.598 453.478 454.216 1.00 0.00 C +ATOM 147 CA PRO A 147 471.972 454.264 451.341 1.00 0.00 C +ATOM 148 CA GLY A 148 475.302 454.894 449.600 1.00 0.00 C +ATOM 149 CA GLN A 149 476.400 453.235 446.350 1.00 0.00 C +ATOM 150 CA GLN A 150 479.711 454.236 444.753 1.00 0.00 C +ATOM 151 CA ALA A 151 481.590 452.567 441.890 1.00 0.00 C +ATOM 152 CA PRO A 152 481.576 451.778 438.162 1.00 0.00 C +ATOM 153 CA GLY A 153 479.293 453.446 435.610 1.00 0.00 C +ATOM 154 CA PRO A 154 478.686 452.449 431.983 1.00 0.00 C +ATOM 155 CA GLU A 155 475.277 453.363 430.549 1.00 0.00 C +ATOM 156 CA PRO A 156 474.147 456.928 431.279 1.00 0.00 C +ATOM 157 CA SER A 157 471.305 459.189 432.430 1.00 0.00 C +ATOM 158 CA GLN A 158 471.078 460.752 435.897 1.00 0.00 C +ATOM 159 CA PRO A 159 472.400 461.936 439.269 1.00 0.00 C +ATOM 160 CA ALA A 160 472.279 462.850 442.966 1.00 0.00 C +ATOM 161 CA GLN A 161 470.692 461.580 446.188 1.00 0.00 C +ATOM 162 CA GLU A 162 468.553 463.814 448.411 1.00 0.00 C +ATOM 163 CA LEU A 163 470.697 466.909 448.996 1.00 0.00 C +ATOM 164 CA ALA A 164 471.813 470.345 447.785 1.00 0.00 C +ATOM 165 CA PHE A 165 470.865 472.288 444.648 1.00 0.00 C +ATOM 166 CA GLN A 166 470.462 475.679 442.958 1.00 0.00 C +ATOM 167 CA ALA A 167 471.357 479.371 443.243 1.00 0.00 C +ATOM 168 CA PRO A 168 469.887 481.943 445.640 1.00 0.00 C +ATOM 169 CA SER A 169 471.225 485.483 446.077 1.00 0.00 C +ATOM 170 CA SER A 170 473.202 488.048 448.085 1.00 0.00 C +ATOM 171 CA PRO A 171 476.408 487.274 449.991 1.00 0.00 C +ATOM 172 CA GLU A 172 477.783 485.017 452.736 1.00 0.00 C +ATOM 173 CA ARG A 173 476.753 481.498 451.703 1.00 0.00 C +ATOM 174 CA GLN A 174 478.428 478.276 452.854 1.00 0.00 C +ATOM 175 CA LEU A 175 481.344 475.832 453.060 1.00 0.00 C +ATOM 176 CA GLU A 176 480.773 472.324 454.431 1.00 0.00 C +ATOM 177 CA PRO A 177 480.645 469.644 457.137 1.00 0.00 C +ATOM 178 CA SER A 178 477.397 469.894 459.112 1.00 0.00 C +ATOM 179 CA LYS A 179 473.707 470.796 459.402 1.00 0.00 C +ATOM 180 CA LEU A 180 470.577 468.623 459.441 1.00 0.00 C +ATOM 181 CA PRO A 181 468.642 469.251 456.220 1.00 0.00 C +ATOM 182 CA PRO A 182 467.730 472.880 455.501 1.00 0.00 C +ATOM 183 CA ALA A 183 467.682 476.321 457.136 1.00 0.00 C +ATOM 184 CA GLY A 184 466.354 478.351 460.074 1.00 0.00 C +ATOM 185 CA GLU A 185 464.817 481.697 461.053 1.00 0.00 C +ATOM 186 CA SER A 186 462.681 483.821 463.386 1.00 0.00 C +ATOM 187 CA VAL A 187 459.354 484.746 464.994 1.00 0.00 C +ATOM 188 CA THR A 188 456.926 482.093 463.735 1.00 0.00 C +ATOM 189 CA GLY A 189 457.807 479.151 461.481 1.00 0.00 C +ATOM 190 CA SER A 190 457.566 477.879 457.898 1.00 0.00 C +ATOM 191 CA LEU A 191 460.647 475.863 456.919 1.00 0.00 C +ATOM 192 CA ASP A 192 461.507 472.418 455.539 1.00 0.00 C +ATOM 193 CA LEU A 193 460.618 468.757 456.113 1.00 0.00 C +ATOM 194 CA LYS A 194 461.105 464.979 456.092 1.00 0.00 C +ATOM 195 CA LYS A 195 462.796 464.006 452.819 1.00 0.00 C +ATOM 196 CA ARG A 196 461.837 464.267 449.141 1.00 0.00 C +ATOM 197 CA VAL A 197 458.748 466.497 449.090 1.00 0.00 C +ATOM 198 CA ILE A 198 455.305 467.923 449.883 1.00 0.00 C +ATOM 199 CA ALA A 199 451.583 467.253 450.343 1.00 0.00 C +ATOM 200 CA SER A 200 449.504 469.301 447.893 1.00 0.00 C +ATOM 201 CA PRO A 201 445.766 469.892 447.451 1.00 0.00 C +ATOM 202 CA GLN A 202 444.488 467.572 444.713 1.00 0.00 C +ATOM 203 CA ALA A 203 446.060 466.905 441.307 1.00 0.00 C +ATOM 204 CA PRO A 204 449.191 468.360 439.695 1.00 0.00 C +ATOM 205 CA ALA A 205 450.400 471.805 438.608 1.00 0.00 C +ATOM 206 CA SER A 206 450.082 473.068 435.027 1.00 0.00 C +ATOM 207 CA LYS A 207 449.002 470.180 432.789 1.00 0.00 C +ATOM 208 CA LYS A 208 447.942 469.623 429.172 1.00 0.00 C +ATOM 209 CA LEU A 209 445.664 470.681 426.307 1.00 0.00 C +ATOM 210 CA LYS A 210 448.040 471.792 423.544 1.00 0.00 C +ATOM 211 CA GLU A 211 446.985 471.132 419.943 1.00 0.00 C +ATOM 212 CA GLU A 212 449.962 469.536 418.181 1.00 0.00 C +ATOM 213 CA LEU A 213 452.890 467.182 418.811 1.00 0.00 C +ATOM 214 CA PRO A 214 456.623 466.836 419.495 1.00 0.00 C +ATOM 215 CA VAL A 215 458.819 464.100 420.980 1.00 0.00 C +ATOM 216 CA ILE A 216 459.036 461.026 418.740 1.00 0.00 C +ATOM 217 CA PRO A 217 460.085 460.606 415.101 1.00 0.00 C +ATOM 218 CA LYS A 218 459.801 464.007 413.406 1.00 0.00 C +ATOM 219 CA GLY A 219 460.543 465.099 409.832 1.00 0.00 C +ATOM 220 CA LYS A 220 461.461 467.412 406.947 1.00 0.00 C +ATOM 221 CA PRO A 221 460.740 471.109 407.518 1.00 0.00 C +ATOM 222 CA LYS A 222 459.160 471.712 410.933 1.00 0.00 C +ATOM 223 CA SER A 223 455.868 472.880 412.454 1.00 0.00 C +ATOM 224 CA GLY A 224 456.109 476.383 413.932 1.00 0.00 C +ATOM 225 CA ARG A 225 454.201 477.139 417.142 1.00 0.00 C +ATOM 226 CA VAL A 226 454.914 479.725 419.848 1.00 0.00 C +ATOM 227 CA TRP A 227 454.247 483.325 420.902 1.00 0.00 C +ATOM 228 CA LYS A 228 454.009 487.078 421.511 1.00 0.00 C +ATOM 229 CA ASP A 229 451.664 488.704 418.986 1.00 0.00 C +ATOM 230 CA ARG A 230 448.259 486.997 418.941 1.00 0.00 C +ATOM 231 CA SER A 231 444.612 487.606 419.863 1.00 0.00 C +ATOM 232 CA LYS A 232 442.709 485.373 422.294 1.00 0.00 C +ATOM 233 CA LYS A 233 444.078 482.219 423.936 1.00 0.00 C +ATOM 234 CA ARG A 234 442.847 480.662 427.188 1.00 0.00 C +ATOM 235 CA PHE A 235 443.636 477.720 429.477 1.00 0.00 C +ATOM 236 CA SER A 236 440.463 476.394 431.117 1.00 0.00 C +ATOM 237 CA GLN A 237 437.190 474.458 430.885 1.00 0.00 C +ATOM 238 CA MET A 238 434.350 472.426 432.409 1.00 0.00 C +ATOM 239 CA VAL A 239 432.527 470.687 435.266 1.00 0.00 C +ATOM 240 CA GLN A 240 432.024 466.913 435.121 1.00 0.00 C +ATOM 241 CA ASP A 241 429.219 464.426 434.442 1.00 0.00 C +ATOM 242 CA LYS A 242 427.021 461.326 434.719 1.00 0.00 C +ATOM 243 CA PRO A 243 426.368 458.913 431.845 1.00 0.00 C +ATOM 244 CA LEU A 244 424.737 457.433 428.735 1.00 0.00 C +ATOM 245 CA ARG A 245 422.966 459.751 426.283 1.00 0.00 C +ATOM 246 CA THR A 246 424.119 463.266 425.374 1.00 0.00 C +ATOM 247 CA SER A 247 427.535 464.115 423.915 1.00 0.00 C +ATOM 248 CA TRP A 248 428.394 461.924 420.919 1.00 0.00 C +ATOM 249 CA GLN A 249 430.517 459.001 422.129 1.00 0.00 C +ATOM 250 CA ARG A 250 431.472 456.082 424.383 1.00 0.00 C +ATOM 251 CA LYS A 251 432.298 453.960 427.438 1.00 0.00 C +ATOM 252 CA MET A 252 431.654 450.837 429.522 1.00 0.00 C +ATOM 253 CA LYS A 253 428.552 448.646 429.210 1.00 0.00 C +ATOM 254 CA GLU A 254 426.338 448.068 426.164 1.00 0.00 C +ATOM 255 CA ARG A 255 422.560 447.981 425.672 1.00 0.00 C +ATOM 256 CA GLN A 256 421.469 451.621 425.390 1.00 0.00 C +ATOM 257 CA GLU A 257 419.012 454.437 424.648 1.00 0.00 C +ATOM 258 CA ARG A 258 418.563 454.657 420.871 1.00 0.00 C +ATOM 259 CA LYS A 259 418.380 453.044 417.424 1.00 0.00 C +ATOM 260 CA LEU A 260 421.478 454.301 415.598 1.00 0.00 C +ATOM 261 CA ALA A 261 423.393 451.862 413.384 1.00 0.00 C +ATOM 262 CA LYS A 262 425.231 448.724 412.246 1.00 0.00 C +ATOM 263 CA ASP A 263 425.491 445.013 411.423 1.00 0.00 C +ATOM 264 CA PHE A 264 423.700 442.843 413.992 1.00 0.00 C +ATOM 265 CA ALA A 265 423.073 439.191 414.876 1.00 0.00 C +ATOM 266 CA ARG A 266 425.351 437.447 417.383 1.00 0.00 C +ATOM 267 CA HIS A 267 427.994 436.387 419.914 1.00 0.00 C +ATOM 268 CA LEU A 268 429.630 438.494 422.635 1.00 0.00 C +ATOM 269 CA GLU A 269 428.666 441.303 425.021 1.00 0.00 C +ATOM 270 CA GLU A 270 431.365 443.916 425.661 1.00 0.00 C +ATOM 271 CA GLU A 271 434.880 442.587 426.289 1.00 0.00 C +ATOM 272 CA LYS A 272 436.523 445.061 428.675 1.00 0.00 C +ATOM 273 CA GLN A 273 439.227 447.580 429.601 1.00 0.00 C +ATOM 274 CA ARG A 274 442.080 448.806 427.393 1.00 0.00 C +ATOM 275 CA ARG A 275 442.213 448.009 423.670 1.00 0.00 C +ATOM 276 CA ARG A 276 440.257 449.999 421.075 1.00 0.00 C +ATOM 277 CA GLN A 277 436.815 451.201 419.970 1.00 0.00 C +ATOM 278 CA GLU A 278 434.583 450.520 422.982 1.00 0.00 C +ATOM 279 CA LYS A 279 431.021 449.360 422.286 1.00 0.00 C +ATOM 280 CA LYS A 280 430.322 447.259 419.185 1.00 0.00 C +ATOM 281 CA GLU A 281 430.506 446.570 415.442 1.00 0.00 C +ATOM 282 CA ARG A 282 432.418 443.846 413.588 1.00 0.00 C +ATOM 283 CA ARG A 283 435.547 441.989 412.459 1.00 0.00 C +ATOM 284 CA ALA A 284 437.367 438.686 413.004 1.00 0.00 C +ATOM 285 CA GLU A 285 437.083 434.889 412.876 1.00 0.00 C +ATOM 286 CA ASN A 286 438.352 432.821 409.938 1.00 0.00 C +ATOM 287 CA LEU A 287 441.920 431.505 409.720 1.00 0.00 C +ATOM 288 CA ARG A 288 441.678 427.711 409.978 1.00 0.00 C +ATOM 289 CA ARG A 289 441.314 425.305 412.909 1.00 0.00 C +ATOM 290 CA ARG A 290 442.883 424.992 416.367 1.00 0.00 C +ATOM 291 CA LEU A 291 443.875 425.003 420.045 1.00 0.00 C +ATOM 292 CA GLU A 292 441.514 426.583 422.583 1.00 0.00 C +ATOM 293 CA ASN A 293 437.801 427.026 421.851 1.00 0.00 C +ATOM 294 CA GLU A 294 436.285 428.767 418.820 1.00 0.00 C +ATOM 295 CA ARG A 295 434.497 426.980 415.969 1.00 0.00 C +ATOM 296 CA LYS A 296 433.817 426.806 412.224 1.00 0.00 C +ATOM 297 CA ALA A 297 433.753 423.496 410.339 1.00 0.00 C +ATOM 298 CA GLU A 298 432.791 420.004 411.523 1.00 0.00 C +ATOM 299 CA ILE A 299 434.098 416.554 410.574 1.00 0.00 C +ATOM 300 CA VAL A 300 435.620 415.969 407.131 1.00 0.00 C +ATOM 301 CA GLN A 301 435.917 418.201 404.058 1.00 0.00 C +ATOM 302 CA VAL A 302 439.351 418.001 402.420 1.00 0.00 C +ATOM 303 CA ILE A 303 442.797 419.565 401.977 1.00 0.00 C +ATOM 304 CA ARG A 304 444.093 422.476 399.889 1.00 0.00 C +ATOM 305 CA ASN A 305 444.932 426.101 400.711 1.00 0.00 C +ATOM 306 CA PRO A 306 442.255 428.732 400.058 1.00 0.00 C +ATOM 307 CA ALA A 307 439.591 427.976 397.441 1.00 0.00 C +ATOM 308 CA LYS A 308 438.545 429.297 394.024 1.00 0.00 C +ATOM 309 CA LEU A 309 435.775 431.275 392.311 1.00 0.00 C +ATOM 310 CA LYS A 310 432.227 429.970 391.839 1.00 0.00 C +ATOM 311 CA LYS A 311 429.316 430.604 389.464 1.00 0.00 C +ATOM 312 CA ALA A 312 427.753 427.556 387.796 1.00 0.00 C +ATOM 313 CA LYS A 313 427.910 425.936 384.351 1.00 0.00 C +ATOM 314 CA LYS A 314 425.342 427.636 382.108 1.00 0.00 C +ATOM 315 CA LYS A 315 422.967 430.493 382.954 1.00 0.00 C +ATOM 316 CA GLN A 316 422.121 432.364 386.163 1.00 0.00 C +ATOM 317 CA LEU A 317 422.962 436.056 386.586 1.00 0.00 C +ATOM 318 CA ARG A 318 420.513 437.370 389.192 1.00 0.00 C +ATOM 319 CA SER A 319 418.061 436.006 391.770 1.00 0.00 C +ATOM 320 CA ILE A 320 414.881 436.705 393.748 1.00 0.00 C +ATOM 321 CA GLN A 321 412.212 438.064 391.393 1.00 0.00 C +ATOM 322 CA LYS A 322 412.536 441.391 389.566 1.00 0.00 C +ATOM 323 CA ARG A 323 412.987 443.595 386.490 1.00 0.00 C +ATOM 324 CA ASP A 324 414.410 446.918 385.288 1.00 0.00 C +ATOM 325 CA THR A 325 416.577 447.348 382.184 1.00 0.00 C +ATOM 326 CA LEU A 326 418.909 446.190 379.402 1.00 0.00 C +ATOM 327 CA ALA A 327 422.293 447.936 379.547 1.00 0.00 C +ATOM 328 CA LEU A 328 423.807 447.617 376.065 1.00 0.00 C +ATOM 329 CA LEU A 329 421.869 448.095 372.820 1.00 0.00 C +ATOM 330 CA GLN A 330 418.695 446.166 371.969 1.00 0.00 C +ATOM 331 CA LYS A 331 416.008 443.527 371.396 1.00 0.00 C +ATOM 332 CA GLN A 332 413.777 441.168 369.402 1.00 0.00 C +ATOM 333 CA PRO A 333 410.214 442.277 368.634 1.00 0.00 C +ATOM 334 CA PRO A 334 407.845 439.308 368.937 1.00 0.00 C +ATOM 335 CA GLN A 335 405.435 436.363 368.752 1.00 0.00 C +ATOM 336 CA ARG A 336 404.243 433.140 370.398 1.00 0.00 C +ATOM 337 CA PRO A 337 407.223 431.044 371.512 1.00 0.00 C +ATOM 338 CA VAL A 338 407.357 427.405 372.633 1.00 0.00 C +ATOM 339 CA ALA A 339 409.196 424.086 372.976 1.00 0.00 C +ATOM 340 CA LYS A 340 412.402 423.377 374.909 1.00 0.00 C +ATOM 341 CA VAL A 341 415.059 420.658 374.654 1.00 0.00 C +TER 342 VAL A 341 +END diff --git a/Mammals/Q5XIM5/Q5XIM5.dcd b/Mammals/Q5XIM5/Q5XIM5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..643cafe93a1a9f6f23dae13ea14df49553769abd --- /dev/null +++ b/Mammals/Q5XIM5/Q5XIM5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:90e90dabace556e9ac435e03c3fcd21d9823f7d59e20f0f363e9d5850e5484c1 +size 43680276 diff --git a/Mammals/Q5XIM5/top.pdb b/Mammals/Q5XIM5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..db69739f1d9bf1eea2658a8a0eeb3691e717f819 --- /dev/null +++ b/Mammals/Q5XIM5/top.pdb @@ -0,0 +1,240 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 246.324 263.160 221.185 1.00 0.00 C +ATOM 2 CA ALA A 2 243.021 264.793 220.214 1.00 0.00 C +ATOM 3 CA GLU A 3 241.653 264.928 216.661 1.00 0.00 C +ATOM 4 CA THR A 4 238.948 265.580 214.058 1.00 0.00 C +ATOM 5 CA GLU A 5 236.854 267.872 211.850 1.00 0.00 C +ATOM 6 CA GLU A 6 233.592 268.396 213.748 1.00 0.00 C +ATOM 7 CA ARG A 7 231.029 269.963 211.406 1.00 0.00 C +ATOM 8 CA SER A 8 227.655 270.373 209.683 1.00 0.00 C +ATOM 9 CA LEU A 9 224.284 268.602 209.564 1.00 0.00 C +ATOM 10 CA ASP A 10 221.076 268.969 207.542 1.00 0.00 C +ATOM 11 CA ASN A 11 217.987 267.549 209.263 1.00 0.00 C +ATOM 12 CA PHE A 12 215.089 269.425 210.875 1.00 0.00 C +ATOM 13 CA PHE A 13 212.863 272.436 211.581 1.00 0.00 C +ATOM 14 CA ALA A 14 211.851 275.181 214.021 1.00 0.00 C +ATOM 15 CA LYS A 15 212.359 275.451 217.787 1.00 0.00 C +ATOM 16 CA ARG A 16 209.791 276.652 220.332 1.00 0.00 C +ATOM 17 CA ASP A 17 206.223 277.575 219.363 1.00 0.00 C +ATOM 18 CA LYS A 18 204.231 274.354 219.780 1.00 0.00 C +ATOM 19 CA LYS A 19 204.495 272.553 223.127 1.00 0.00 C +ATOM 20 CA LYS A 20 206.907 274.449 225.386 1.00 0.00 C +ATOM 21 CA LYS A 21 209.191 272.050 227.268 1.00 0.00 C +ATOM 22 CA LYS A 22 212.920 272.103 228.047 1.00 0.00 C +ATOM 23 CA GLU A 23 216.349 273.502 227.154 1.00 0.00 C +ATOM 24 CA ARG A 24 217.306 276.702 225.320 1.00 0.00 C +ATOM 25 CA SER A 25 220.327 278.432 226.867 1.00 0.00 C +ATOM 26 CA SER A 26 222.527 279.105 229.904 1.00 0.00 C +ATOM 27 CA ARG A 27 225.252 280.969 231.806 1.00 0.00 C +ATOM 28 CA ALA A 28 228.934 281.544 231.015 1.00 0.00 C +ATOM 29 CA ALA A 29 228.965 284.226 228.308 1.00 0.00 C +ATOM 30 CA ASN A 30 225.446 284.747 226.942 1.00 0.00 C +ATOM 31 CA ALA A 31 225.532 288.086 225.110 1.00 0.00 C +ATOM 32 CA ALA A 32 223.386 291.232 224.989 1.00 0.00 C +ATOM 33 CA SER A 33 219.827 291.984 223.856 1.00 0.00 C +ATOM 34 CA GLY A 34 218.081 293.974 221.116 1.00 0.00 C +ATOM 35 CA ALA A 35 218.562 296.468 218.276 1.00 0.00 C +ATOM 36 CA GLY A 36 222.096 297.829 217.863 1.00 0.00 C +ATOM 37 CA GLY A 37 221.931 301.582 218.497 1.00 0.00 C +ATOM 38 CA SER A 38 223.196 303.025 221.789 1.00 0.00 C +ATOM 39 CA SER A 39 220.339 304.940 223.428 1.00 0.00 C +ATOM 40 CA ALA A 40 220.822 308.308 225.142 1.00 0.00 C +ATOM 41 CA ALA A 41 219.014 309.188 228.378 1.00 0.00 C +ATOM 42 CA ALA A 42 218.664 312.491 230.245 1.00 0.00 C +ATOM 43 CA GLY A 43 215.995 312.231 232.951 1.00 0.00 C +ATOM 44 CA SER A 44 214.575 311.557 236.421 1.00 0.00 C +ATOM 45 CA ARG A 45 214.802 312.701 240.048 1.00 0.00 C +ATOM 46 CA PRO A 46 212.893 310.449 242.456 1.00 0.00 C +ATOM 47 CA GLY A 47 209.164 309.970 243.074 1.00 0.00 C +ATOM 48 CA ASP A 48 206.838 307.776 245.147 1.00 0.00 C +ATOM 49 CA GLY A 49 203.737 305.966 243.873 1.00 0.00 C +ATOM 50 CA GLY A 50 201.610 302.814 244.108 1.00 0.00 C +ATOM 51 CA SER A 51 201.644 299.599 242.063 1.00 0.00 C +ATOM 52 CA LEU A 52 200.420 296.392 243.716 1.00 0.00 C +ATOM 53 CA GLY A 53 199.536 293.384 241.551 1.00 0.00 C +ATOM 54 CA SER A 54 201.520 293.460 238.299 1.00 0.00 C +ATOM 55 CA GLY A 55 202.772 293.685 234.708 1.00 0.00 C +ATOM 56 CA ALA A 56 202.518 291.884 231.360 1.00 0.00 C +ATOM 57 CA ARG A 57 202.957 288.114 231.692 1.00 0.00 C +ATOM 58 CA SER A 58 204.900 285.178 233.149 1.00 0.00 C +ATOM 59 CA GLY A 59 204.183 285.340 236.888 1.00 0.00 C +ATOM 60 CA ASP A 60 206.033 283.633 239.747 1.00 0.00 C +ATOM 61 CA GLY A 61 207.896 284.029 243.047 1.00 0.00 C +ATOM 62 CA GLY A 62 209.788 281.499 245.177 1.00 0.00 C +ATOM 63 CA SER A 63 213.220 279.845 245.148 1.00 0.00 C +ATOM 64 CA SER A 64 215.436 278.778 248.058 1.00 0.00 C +ATOM 65 CA GLY A 65 213.016 277.734 250.809 1.00 0.00 C +ATOM 66 CA SER A 66 212.105 279.719 253.931 1.00 0.00 C +ATOM 67 CA GLY A 67 212.670 279.489 257.692 1.00 0.00 C +ATOM 68 CA ALA A 68 210.280 280.391 260.518 1.00 0.00 C +ATOM 69 CA ARG A 69 206.892 279.344 261.911 1.00 0.00 C +ATOM 70 CA SER A 70 205.253 275.920 262.232 1.00 0.00 C +ATOM 71 CA GLY A 71 206.379 272.537 263.576 1.00 0.00 C +ATOM 72 CA ASP A 72 204.923 269.156 262.593 1.00 0.00 C +ATOM 73 CA GLY A 73 201.227 269.420 263.481 1.00 0.00 C +ATOM 74 CA GLY A 74 199.050 267.240 265.722 1.00 0.00 C +ATOM 75 CA SER A 75 196.090 265.046 266.693 1.00 0.00 C +ATOM 76 CA LEU A 76 193.104 262.683 266.827 1.00 0.00 C +ATOM 77 CA GLY A 77 190.642 260.301 265.161 1.00 0.00 C +ATOM 78 CA SER A 78 191.479 256.845 263.793 1.00 0.00 C +ATOM 79 CA GLY A 79 193.676 254.989 261.294 1.00 0.00 C +ATOM 80 CA ALA A 80 196.650 253.102 259.840 1.00 0.00 C +ATOM 81 CA ARG A 81 197.155 252.699 256.085 1.00 0.00 C +ATOM 82 CA SER A 82 199.528 250.109 254.610 1.00 0.00 C +ATOM 83 CA GLY A 83 202.688 249.184 256.529 1.00 0.00 C +ATOM 84 CA ASP A 84 202.663 246.796 259.497 1.00 0.00 C +ATOM 85 CA GLY A 85 203.232 243.783 261.759 1.00 0.00 C +ATOM 86 CA GLY A 86 200.635 241.089 261.041 1.00 0.00 C +ATOM 87 CA THR A 87 199.445 239.473 257.803 1.00 0.00 C +ATOM 88 CA SER A 88 197.488 236.226 257.421 1.00 0.00 C +ATOM 89 CA ARG A 89 196.828 233.846 260.322 1.00 0.00 C +ATOM 90 CA SER A 90 196.765 230.210 261.459 1.00 0.00 C +ATOM 91 CA GLY A 91 196.392 226.606 260.281 1.00 0.00 C +ATOM 92 CA ASP A 92 198.175 225.262 257.194 1.00 0.00 C +ATOM 93 CA GLY A 93 201.276 225.155 254.982 1.00 0.00 C +ATOM 94 CA GLY A 94 204.904 226.106 254.315 1.00 0.00 C +ATOM 95 CA SER A 95 207.729 224.243 252.565 1.00 0.00 C +ATOM 96 CA ALA A 96 210.091 226.435 250.533 1.00 0.00 C +ATOM 97 CA GLY A 97 212.695 228.150 252.722 1.00 0.00 C +ATOM 98 CA PRO A 98 214.843 225.773 254.784 1.00 0.00 C +ATOM 99 CA GLY A 99 218.457 225.549 255.970 1.00 0.00 C +ATOM 100 CA GLY A 100 221.149 226.678 258.418 1.00 0.00 C +ATOM 101 CA LYS A 101 224.231 228.299 256.870 1.00 0.00 C +ATOM 102 CA ALA A 102 227.888 227.946 255.863 1.00 0.00 C +ATOM 103 CA ILE A 103 231.113 226.195 254.841 1.00 0.00 C +ATOM 104 CA THR A 104 233.192 223.004 254.716 1.00 0.00 C +ATOM 105 CA LYS A 105 236.706 224.064 253.692 1.00 0.00 C +ATOM 106 CA ASP A 106 239.983 223.030 252.048 1.00 0.00 C +ATOM 107 CA GLU A 107 243.703 222.224 252.213 1.00 0.00 C +ATOM 108 CA ASN A 108 247.215 223.626 251.746 1.00 0.00 C +ATOM 109 CA GLU A 109 248.793 226.207 254.063 1.00 0.00 C +ATOM 110 CA TRP A 110 247.011 229.562 254.350 1.00 0.00 C +ATOM 111 CA LYS A 111 245.211 230.008 257.678 1.00 0.00 C +ATOM 112 CA GLU A 112 247.801 229.560 260.436 1.00 0.00 C +ATOM 113 CA PHE A 113 251.469 230.369 259.796 1.00 0.00 C +ATOM 114 CA GLU A 114 254.370 228.856 261.747 1.00 0.00 C +ATOM 115 CA GLN A 115 256.398 225.980 260.287 1.00 0.00 C +ATOM 116 CA LYS A 116 259.378 223.842 259.256 1.00 0.00 C +ATOM 117 CA GLU A 117 263.087 223.193 258.678 1.00 0.00 C +ATOM 118 CA VAL A 118 266.518 221.790 257.794 1.00 0.00 C +ATOM 119 CA ASP A 119 269.622 219.767 258.683 1.00 0.00 C +ATOM 120 CA TYR A 120 273.424 219.750 258.433 1.00 0.00 C +ATOM 121 CA SER A 121 276.764 220.361 256.705 1.00 0.00 C +ATOM 122 CA GLY A 122 280.043 221.067 254.899 1.00 0.00 C +ATOM 123 CA LEU A 123 281.120 223.325 252.025 1.00 0.00 C +ATOM 124 CA ARG A 124 283.636 221.524 249.802 1.00 0.00 C +ATOM 125 CA VAL A 125 286.347 223.004 247.572 1.00 0.00 C +ATOM 126 CA GLN A 126 286.406 226.774 247.026 1.00 0.00 C +ATOM 127 CA ALA A 127 287.387 230.449 247.254 1.00 0.00 C +ATOM 128 CA MET A 128 287.264 233.034 250.050 1.00 0.00 C +ATOM 129 CA GLN A 129 284.374 234.861 251.731 1.00 0.00 C +ATOM 130 CA ILE A 130 283.711 237.992 249.664 1.00 0.00 C +ATOM 131 CA SER A 131 281.918 240.851 251.432 1.00 0.00 C +ATOM 132 CA GLU A 132 279.100 243.272 250.586 1.00 0.00 C +ATOM 133 CA LYS A 133 275.867 245.078 249.692 1.00 0.00 C +ATOM 134 CA GLU A 134 275.729 248.873 249.994 1.00 0.00 C +ATOM 135 CA ASP A 135 276.620 251.636 252.461 1.00 0.00 C +ATOM 136 CA ASP A 136 279.163 254.440 252.033 1.00 0.00 C +ATOM 137 CA ASP A 137 281.982 255.347 254.430 1.00 0.00 C +ATOM 138 CA ASN A 138 283.984 252.286 255.497 1.00 0.00 C +ATOM 139 CA GLU A 139 282.353 250.945 258.669 1.00 0.00 C +ATOM 140 CA LYS A 140 280.884 250.501 262.156 1.00 0.00 C +ATOM 141 CA ARG A 141 277.433 251.615 263.325 1.00 0.00 C +ATOM 142 CA GLU A 142 274.227 253.667 263.476 1.00 0.00 C +ATOM 143 CA ASP A 143 272.135 252.429 266.410 1.00 0.00 C +ATOM 144 CA PRO A 144 272.268 248.648 266.858 1.00 0.00 C +ATOM 145 CA GLY A 145 274.652 247.371 269.542 1.00 0.00 C +ATOM 146 CA ASP A 146 277.292 249.879 270.663 1.00 0.00 C +ATOM 147 CA ASN A 147 280.069 249.943 273.271 1.00 0.00 C +ATOM 148 CA TRP A 148 282.869 249.474 275.811 1.00 0.00 C +ATOM 149 CA GLU A 149 286.572 250.338 275.573 1.00 0.00 C +ATOM 150 CA GLU A 150 288.379 249.233 272.406 1.00 0.00 C +ATOM 151 CA GLY A 151 288.664 246.304 269.987 1.00 0.00 C +ATOM 152 CA GLY A 152 289.121 243.532 267.413 1.00 0.00 C +ATOM 153 CA GLY A 153 290.705 240.080 267.707 1.00 0.00 C +ATOM 154 CA GLY A 154 292.364 237.907 270.361 1.00 0.00 C +ATOM 155 CA SER A 155 293.559 237.910 273.979 1.00 0.00 C +ATOM 156 CA GLY A 156 295.244 240.951 275.538 1.00 0.00 C +ATOM 157 CA ALA A 157 296.438 243.822 277.740 1.00 0.00 C +ATOM 158 CA GLU A 158 297.357 243.445 281.418 1.00 0.00 C +ATOM 159 CA LYS A 159 300.686 245.191 282.037 1.00 0.00 C +ATOM 160 CA SER A 160 303.965 243.701 280.795 1.00 0.00 C +ATOM 161 CA SER A 161 306.630 242.156 283.038 1.00 0.00 C +ATOM 162 CA GLY A 162 309.229 239.693 284.340 1.00 0.00 C +ATOM 163 CA PRO A 163 307.384 236.503 285.310 1.00 0.00 C +ATOM 164 CA TRP A 164 304.516 234.004 285.097 1.00 0.00 C +ATOM 165 CA ASN A 165 305.126 231.039 282.784 1.00 0.00 C +ATOM 166 CA LYS A 166 302.730 230.835 279.828 1.00 0.00 C +ATOM 167 CA THR A 167 299.336 231.718 278.339 1.00 0.00 C +ATOM 168 CA ALA A 168 296.425 233.395 280.135 1.00 0.00 C +ATOM 169 CA LEU A 169 294.000 235.739 281.909 1.00 0.00 C +ATOM 170 CA VAL A 170 294.043 235.255 285.687 1.00 0.00 C +ATOM 171 CA GLN A 171 294.896 235.217 289.400 1.00 0.00 C +ATOM 172 CA ALA A 172 293.308 232.387 291.397 1.00 0.00 C +ATOM 173 CA PRO A 173 293.202 231.744 295.150 1.00 0.00 C +ATOM 174 CA PRO A 174 293.725 228.021 295.765 1.00 0.00 C +ATOM 175 CA ALA A 175 294.088 225.298 293.124 1.00 0.00 C +ATOM 176 CA PRO A 176 292.673 224.536 289.670 1.00 0.00 C +ATOM 177 CA VAL A 177 292.947 223.872 285.928 1.00 0.00 C +ATOM 178 CA THR A 178 294.353 222.787 282.558 1.00 0.00 C +ATOM 179 CA VAL A 179 295.243 222.073 278.922 1.00 0.00 C +ATOM 180 CA THR A 180 293.708 219.150 277.022 1.00 0.00 C +ATOM 181 CA GLU A 181 293.485 217.263 273.720 1.00 0.00 C +ATOM 182 CA THR A 182 293.418 215.785 270.209 1.00 0.00 C +ATOM 183 CA PRO A 183 292.464 213.940 267.015 1.00 0.00 C +ATOM 184 CA GLU A 184 288.909 214.896 266.034 1.00 0.00 C +ATOM 185 CA PRO A 185 285.408 215.267 264.576 1.00 0.00 C +ATOM 186 CA ALA A 186 281.735 216.142 264.066 1.00 0.00 C +ATOM 187 CA MET A 187 277.986 216.816 264.115 1.00 0.00 C +ATOM 188 CA PRO A 188 275.893 216.326 267.261 1.00 0.00 C +ATOM 189 CA SER A 189 274.893 212.650 267.193 1.00 0.00 C +ATOM 190 CA GLY A 190 271.683 212.517 269.240 1.00 0.00 C +ATOM 191 CA VAL A 191 269.726 215.671 268.383 1.00 0.00 C +ATOM 192 CA TYR A 192 269.512 217.565 265.084 1.00 0.00 C +ATOM 193 CA ARG A 193 268.521 221.244 265.142 1.00 0.00 C +ATOM 194 CA PRO A 194 268.971 225.027 265.192 1.00 0.00 C +ATOM 195 CA PRO A 195 268.391 228.726 265.898 1.00 0.00 C +ATOM 196 CA GLY A 196 269.598 231.251 263.314 1.00 0.00 C +ATOM 197 CA ALA A 197 268.350 232.941 260.136 1.00 0.00 C +ATOM 198 CA ARG A 198 266.994 230.696 257.372 1.00 0.00 C +ATOM 199 CA LEU A 199 266.020 227.780 255.122 1.00 0.00 C +ATOM 200 CA THR A 200 263.191 226.188 253.128 1.00 0.00 C +ATOM 201 CA THR A 201 259.840 227.725 252.165 1.00 0.00 C +ATOM 202 CA THR A 202 260.361 230.539 249.650 1.00 0.00 C +ATOM 203 CA ARG A 203 257.630 230.365 246.999 1.00 0.00 C +ATOM 204 CA LYS A 204 254.818 228.201 248.386 1.00 0.00 C +ATOM 205 CA THR A 205 255.166 224.499 247.558 1.00 0.00 C +ATOM 206 CA PRO A 206 258.584 223.919 245.976 1.00 0.00 C +ATOM 207 CA GLN A 207 258.759 221.968 242.709 1.00 0.00 C +ATOM 208 CA GLY A 208 261.370 223.308 240.280 1.00 0.00 C +ATOM 209 CA PRO A 209 263.792 225.189 238.019 1.00 0.00 C +ATOM 210 CA PRO A 210 267.240 226.329 239.173 1.00 0.00 C +ATOM 211 CA GLU A 211 269.975 223.923 240.290 1.00 0.00 C +ATOM 212 CA ILE A 212 273.366 225.626 240.636 1.00 0.00 C +ATOM 213 CA TYR A 213 274.540 225.370 244.251 1.00 0.00 C +ATOM 214 CA SER A 214 273.382 226.978 247.506 1.00 0.00 C +ATOM 215 CA ASP A 215 269.877 228.170 248.403 1.00 0.00 C +ATOM 216 CA THR A 216 268.046 231.237 247.077 1.00 0.00 C +ATOM 217 CA GLN A 217 269.835 233.390 244.493 1.00 0.00 C +ATOM 218 CA PHE A 218 271.653 236.676 243.849 1.00 0.00 C +ATOM 219 CA PRO A 219 273.765 239.167 241.887 1.00 0.00 C +ATOM 220 CA SER A 220 276.665 238.681 239.465 1.00 0.00 C +ATOM 221 CA LEU A 221 280.433 238.557 238.912 1.00 0.00 C +ATOM 222 CA GLN A 222 283.179 238.794 236.281 1.00 0.00 C +ATOM 223 CA SER A 223 284.213 241.875 234.294 1.00 0.00 C +ATOM 224 CA THR A 224 282.878 244.404 231.776 1.00 0.00 C +ATOM 225 CA ALA A 225 285.073 244.519 228.663 1.00 0.00 C +ATOM 226 CA LYS A 226 288.250 242.418 228.587 1.00 0.00 C +ATOM 227 CA HIS A 227 290.137 240.970 225.610 1.00 0.00 C +ATOM 228 CA VAL A 228 293.400 240.171 223.813 1.00 0.00 C +ATOM 229 CA GLU A 229 297.076 239.762 224.725 1.00 0.00 C +ATOM 230 CA SER A 230 298.889 243.109 224.542 1.00 0.00 C +ATOM 231 CA ARG A 231 300.919 243.719 221.376 1.00 0.00 C +ATOM 232 CA ASN A 232 302.879 246.121 219.162 1.00 0.00 C +ATOM 233 CA ARG A 233 301.074 249.391 218.410 1.00 0.00 C +ATOM 234 CA TYR A 234 301.282 253.165 218.890 1.00 0.00 C +ATOM 235 CA LEU A 235 304.438 254.819 220.241 1.00 0.00 C +ATOM 236 CA LYS A 236 305.829 258.179 221.376 1.00 0.00 C +TER 237 LYS A 236 +END diff --git a/Mammals/Q5XW56/Q5XW56.dcd b/Mammals/Q5XW56/Q5XW56.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e237702bbc6b5c281eebb9c519c728907a3a0d75 --- /dev/null +++ b/Mammals/Q5XW56/Q5XW56.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:96656ac12a59bfab411f2033a4d8e6631c9f14ee096e9d5031e3a38e63d0e946 +size 11600276 diff --git a/Mammals/Q5XW56/top.pdb b/Mammals/Q5XW56/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b9b742bc7b360deb4d71a0c46e0b6ab630f74a12 --- /dev/null +++ b/Mammals/Q5XW56/top.pdb @@ -0,0 +1,94 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA SER A 1 243.234 249.646 274.965 1.00 0.00 C +ATOM 2 CA SER A 2 244.238 252.312 277.495 1.00 0.00 C +ATOM 3 CA GLU A 3 243.131 255.957 277.497 1.00 0.00 C +ATOM 4 CA SER A 4 242.941 258.548 280.284 1.00 0.00 C +ATOM 5 CA GLY A 5 244.615 260.742 282.910 1.00 0.00 C +ATOM 6 CA GLU A 6 247.942 262.113 281.657 1.00 0.00 C +ATOM 7 CA GLY A 7 249.076 265.459 283.082 1.00 0.00 C +ATOM 8 CA PRO A 8 251.641 268.230 283.594 1.00 0.00 C +ATOM 9 CA SER A 9 254.845 268.814 285.571 1.00 0.00 C +ATOM 10 CA GLY A 10 257.948 266.989 284.323 1.00 0.00 C +ATOM 11 CA MET A 11 261.344 265.379 283.701 1.00 0.00 C +ATOM 12 CA ALA A 12 263.366 262.540 282.162 1.00 0.00 C +ATOM 13 CA SER A 13 263.629 258.833 283.002 1.00 0.00 C +ATOM 14 CA GLN A 14 264.358 255.156 282.320 1.00 0.00 C +ATOM 15 CA GLU A 15 261.255 252.971 282.651 1.00 0.00 C +ATOM 16 CA CYS A 16 259.165 251.447 279.854 1.00 0.00 C +ATOM 17 CA PRO A 17 255.863 253.309 279.479 1.00 0.00 C +ATOM 18 CA THR A 18 252.311 252.651 278.267 1.00 0.00 C +ATOM 19 CA THR A 19 249.676 255.403 278.266 1.00 0.00 C +ATOM 20 CA SER A 20 248.614 258.208 275.916 1.00 0.00 C +ATOM 21 CA LYS A 21 249.189 259.458 272.363 1.00 0.00 C +ATOM 22 CA ALA A 22 251.897 260.200 269.787 1.00 0.00 C +ATOM 23 CA GLU A 23 252.473 261.922 266.438 1.00 0.00 C +ATOM 24 CA THR A 24 250.926 263.339 263.257 1.00 0.00 C +ATOM 25 CA ASP A 25 252.509 265.820 260.838 1.00 0.00 C +ATOM 26 CA ASP A 26 255.959 266.161 259.257 1.00 0.00 C +ATOM 27 CA ASP A 27 258.151 267.154 256.303 1.00 0.00 C +ATOM 28 CA ASP A 28 258.422 270.938 255.959 1.00 0.00 C +ATOM 29 CA ASP A 29 260.909 272.738 253.703 1.00 0.00 C +ATOM 30 CA ASP A 30 261.320 276.312 254.956 1.00 0.00 C +ATOM 31 CA ASP A 31 260.099 278.849 252.389 1.00 0.00 C +ATOM 32 CA ASP A 32 261.363 280.334 249.116 1.00 0.00 C +ATOM 33 CA ASP A 33 262.876 279.017 245.876 1.00 0.00 C +ATOM 34 CA ASP A 34 264.357 277.090 242.942 1.00 0.00 C +ATOM 35 CA ASP A 35 264.909 279.682 240.206 1.00 0.00 C +ATOM 36 CA GLU A 36 261.890 279.709 237.882 1.00 0.00 C +ATOM 37 CA ASP A 37 258.492 281.362 237.389 1.00 0.00 C +ATOM 38 CA ASN A 38 255.933 278.668 238.231 1.00 0.00 C +ATOM 39 CA GLU A 39 253.056 277.649 240.512 1.00 0.00 C +ATOM 40 CA GLU A 40 252.328 274.274 242.122 1.00 0.00 C +ATOM 41 CA SER A 41 250.630 271.053 241.000 1.00 0.00 C +ATOM 42 CA GLU A 42 253.061 268.759 239.172 1.00 0.00 C +ATOM 43 CA GLU A 43 255.567 266.206 240.482 1.00 0.00 C +ATOM 44 CA GLU A 44 256.942 265.224 243.897 1.00 0.00 C +ATOM 45 CA GLU A 45 258.618 264.324 247.198 1.00 0.00 C +ATOM 46 CA GLU A 46 257.543 264.243 250.852 1.00 0.00 C +ATOM 47 CA GLU A 47 255.950 261.173 252.450 1.00 0.00 C +ATOM 48 CA GLU A 48 252.369 260.067 251.762 1.00 0.00 C +ATOM 49 CA GLU A 49 250.409 257.483 249.763 1.00 0.00 C +ATOM 50 CA GLU A 50 249.284 254.053 248.541 1.00 0.00 C +ATOM 51 CA GLU A 51 250.129 251.829 245.566 1.00 0.00 C +ATOM 52 CA LYS A 52 249.408 250.345 242.132 1.00 0.00 C +ATOM 53 CA GLU A 53 248.886 249.412 238.475 1.00 0.00 C +ATOM 54 CA ALA A 54 249.236 252.056 235.754 1.00 0.00 C +ATOM 55 CA THR A 55 247.011 255.097 235.189 1.00 0.00 C +ATOM 56 CA GLU A 56 247.573 257.017 231.947 1.00 0.00 C +ATOM 57 CA ASP A 57 249.499 255.467 229.047 1.00 0.00 C +ATOM 58 CA GLU A 58 250.896 254.071 225.789 1.00 0.00 C +ATOM 59 CA ASP A 59 252.544 255.432 222.635 1.00 0.00 C +ATOM 60 CA GLU A 60 250.479 254.519 219.566 1.00 0.00 C +ATOM 61 CA ASP A 61 249.409 250.872 219.832 1.00 0.00 C +ATOM 62 CA LEU A 62 250.103 248.008 222.247 1.00 0.00 C +ATOM 63 CA GLU A 63 248.376 244.747 221.298 1.00 0.00 C +ATOM 64 CA GLN A 64 247.599 241.049 220.814 1.00 0.00 C +ATOM 65 CA LEU A 65 246.096 238.639 223.354 1.00 0.00 C +ATOM 66 CA GLN A 66 245.206 236.025 225.979 1.00 0.00 C +ATOM 67 CA GLU A 67 247.889 235.209 228.557 1.00 0.00 C +ATOM 68 CA ASP A 68 249.316 231.835 229.605 1.00 0.00 C +ATOM 69 CA GLN A 69 250.660 228.284 229.918 1.00 0.00 C +ATOM 70 CA GLY A 70 248.709 225.154 228.963 1.00 0.00 C +ATOM 71 CA GLY A 71 247.519 221.613 229.713 1.00 0.00 C +ATOM 72 CA ASP A 72 247.283 219.147 226.818 1.00 0.00 C +ATOM 73 CA GLU A 73 244.976 219.973 223.900 1.00 0.00 C +ATOM 74 CA GLU A 74 241.467 219.254 225.198 1.00 0.00 C +ATOM 75 CA GLU A 75 241.559 220.183 228.892 1.00 0.00 C +ATOM 76 CA GLU A 76 239.519 218.576 231.680 1.00 0.00 C +ATOM 77 CA GLY A 77 237.368 216.465 234.011 1.00 0.00 C +ATOM 78 CA GLY A 78 236.747 214.064 236.903 1.00 0.00 C +ATOM 79 CA ASP A 79 238.694 215.411 239.889 1.00 0.00 C +ATOM 80 CA ASN A 80 238.851 213.794 243.335 1.00 0.00 C +ATOM 81 CA GLU A 81 241.610 212.144 245.379 1.00 0.00 C +ATOM 82 CA GLY A 82 243.126 212.550 248.851 1.00 0.00 C +ATOM 83 CA ASN A 83 240.552 214.628 250.741 1.00 0.00 C +ATOM 84 CA GLU A 84 237.697 215.744 253.003 1.00 0.00 C +ATOM 85 CA SER A 85 234.545 217.883 252.940 1.00 0.00 C +ATOM 86 CA PRO A 86 234.088 218.792 249.268 1.00 0.00 C +ATOM 87 CA THR A 87 234.657 218.021 245.580 1.00 0.00 C +ATOM 88 CA SER A 88 232.914 215.204 243.698 1.00 0.00 C +ATOM 89 CA PRO A 89 229.984 212.931 244.574 1.00 0.00 C +ATOM 90 CA SER A 90 231.195 210.591 247.325 1.00 0.00 C +TER 91 SER A 90 +END diff --git a/Mammals/Q5YAB2/Q5YAB2.dcd b/Mammals/Q5YAB2/Q5YAB2.dcd new file mode 100644 index 0000000000000000000000000000000000000000..3f03dc58fa356764bced7856a67372a4f5a5ba2d --- /dev/null +++ b/Mammals/Q5YAB2/Q5YAB2.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:98aa51aac7b58758cb0ff2110186a386da339f1562379fc86af0eac8d0268967 +size 15440276 diff --git a/Mammals/Q5YAB2/top.pdb b/Mammals/Q5YAB2/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..44e9b7613510656172de3048e8bbfef50c825f20 --- /dev/null +++ b/Mammals/Q5YAB2/top.pdb @@ -0,0 +1,126 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ARG A 1 271.736 279.225 244.593 1.00 0.00 C +ATOM 2 CA ALA A 2 268.130 278.023 244.338 1.00 0.00 C +ATOM 3 CA LYS A 3 264.535 277.157 243.417 1.00 0.00 C +ATOM 4 CA LEU A 4 260.955 276.022 242.778 1.00 0.00 C +ATOM 5 CA HIS A 5 258.591 273.093 243.365 1.00 0.00 C +ATOM 6 CA GLY A 6 257.971 269.606 241.959 1.00 0.00 C +ATOM 7 CA ARG A 7 256.120 268.901 238.705 1.00 0.00 C +ATOM 8 CA PRO A 8 255.277 270.105 235.190 1.00 0.00 C +ATOM 9 CA PRO A 9 252.957 268.577 232.582 1.00 0.00 C +ATOM 10 CA ARG A 10 249.573 267.943 234.212 1.00 0.00 C +ATOM 11 CA ARG A 11 247.646 269.625 237.036 1.00 0.00 C +ATOM 12 CA PRO A 12 244.927 269.059 239.644 1.00 0.00 C +ATOM 13 CA SER A 13 241.315 269.449 240.793 1.00 0.00 C +ATOM 14 CA GLY A 14 238.733 267.975 238.411 1.00 0.00 C +ATOM 15 CA PRO A 15 236.179 270.260 236.745 1.00 0.00 C +ATOM 16 CA GLY A 16 235.132 273.518 238.421 1.00 0.00 C +ATOM 17 CA PRO A 17 232.392 272.716 240.944 1.00 0.00 C +ATOM 18 CA PRO A 18 232.453 273.342 244.702 1.00 0.00 C +ATOM 19 CA PRO A 19 229.328 272.132 246.514 1.00 0.00 C +ATOM 20 CA PRO A 20 227.603 269.307 244.628 1.00 0.00 C +ATOM 21 CA ASP A 21 229.556 266.191 245.623 1.00 0.00 C +ATOM 22 CA GLY A 22 232.238 263.702 246.686 1.00 0.00 C +ATOM 23 CA SER A 23 232.000 260.063 247.790 1.00 0.00 C +ATOM 24 CA PRO A 24 233.007 256.658 249.171 1.00 0.00 C +ATOM 25 CA VAL A 25 235.923 255.274 251.195 1.00 0.00 C +ATOM 26 CA PRO A 26 239.677 254.719 250.848 1.00 0.00 C +ATOM 27 CA ASP A 27 243.004 255.468 252.547 1.00 0.00 C +ATOM 28 CA ALA A 28 244.053 256.501 256.060 1.00 0.00 C +ATOM 29 CA ALA A 29 242.943 259.010 258.705 1.00 0.00 C +ATOM 30 CA VAL A 30 240.490 258.444 261.565 1.00 0.00 C +ATOM 31 CA CYS A 31 237.795 255.752 261.635 1.00 0.00 C +ATOM 32 CA PRO A 32 238.819 252.114 261.161 1.00 0.00 C +ATOM 33 CA ASP A 33 241.406 249.316 261.186 1.00 0.00 C +ATOM 34 CA ALA A 34 243.098 246.817 258.861 1.00 0.00 C +ATOM 35 CA ILE A 35 246.813 247.462 258.313 1.00 0.00 C +ATOM 36 CA PRO A 36 249.527 249.163 256.250 1.00 0.00 C +ATOM 37 CA ALA A 37 250.516 248.376 252.655 1.00 0.00 C +ATOM 38 CA PRO A 38 253.372 250.360 251.098 1.00 0.00 C +ATOM 39 CA ASP A 39 254.607 253.415 253.011 1.00 0.00 C +ATOM 40 CA CYS A 40 255.586 256.810 251.584 1.00 0.00 C +ATOM 41 CA ILE A 41 254.917 259.520 254.177 1.00 0.00 C +ATOM 42 CA PRO A 42 251.516 260.222 255.746 1.00 0.00 C +ATOM 43 CA ALA A 43 249.637 259.191 258.896 1.00 0.00 C +ATOM 44 CA PRO A 44 250.511 257.777 262.325 1.00 0.00 C +ATOM 45 CA ASP A 45 251.668 257.020 265.875 1.00 0.00 C +ATOM 46 CA ALA A 46 253.106 257.056 269.403 1.00 0.00 C +ATOM 47 CA THR A 47 253.021 253.502 270.774 1.00 0.00 C +ATOM 48 CA PRO A 48 254.274 253.588 274.371 1.00 0.00 C +ATOM 49 CA PRO A 49 255.656 256.648 276.171 1.00 0.00 C +ATOM 50 CA PRO A 50 258.700 258.189 274.475 1.00 0.00 C +ATOM 51 CA ASP A 51 261.432 260.524 273.210 1.00 0.00 C +ATOM 52 CA GLY A 52 262.106 264.079 274.402 1.00 0.00 C +ATOM 53 CA ILE A 53 264.901 263.689 276.962 1.00 0.00 C +ATOM 54 CA PRO A 54 265.737 260.772 279.266 1.00 0.00 C +ATOM 55 CA ALA A 55 265.309 257.296 280.767 1.00 0.00 C +ATOM 56 CA PRO A 56 262.638 254.605 281.137 1.00 0.00 C +ATOM 57 CA ASP A 57 259.022 253.685 280.364 1.00 0.00 C +ATOM 58 CA VAL A 58 258.795 249.913 279.882 1.00 0.00 C +ATOM 59 CA ALA A 59 259.845 248.171 276.660 1.00 0.00 C +ATOM 60 CA VAL A 60 263.194 247.722 274.900 1.00 0.00 C +ATOM 61 CA PRO A 61 266.923 248.318 275.406 1.00 0.00 C +ATOM 62 CA PRO A 62 268.905 245.641 273.557 1.00 0.00 C +ATOM 63 CA ASP A 63 270.549 242.608 271.940 1.00 0.00 C +ATOM 64 CA ALA A 64 272.092 239.852 269.808 1.00 0.00 C +ATOM 65 CA ILE A 65 269.508 237.081 269.403 1.00 0.00 C +ATOM 66 CA PRO A 66 266.142 235.989 270.813 1.00 0.00 C +ATOM 67 CA ALA A 67 264.327 237.144 273.958 1.00 0.00 C +ATOM 68 CA PRO A 68 264.733 240.931 274.051 1.00 0.00 C +ATOM 69 CA ASP A 69 263.881 242.058 270.513 1.00 0.00 C +ATOM 70 CA CYS A 70 264.762 242.335 266.816 1.00 0.00 C +ATOM 71 CA ILE A 71 261.842 242.696 264.395 1.00 0.00 C +ATOM 72 CA PRO A 72 258.577 243.439 262.577 1.00 0.00 C +ATOM 73 CA ALA A 73 257.440 244.825 259.215 1.00 0.00 C +ATOM 74 CA PRO A 74 257.880 246.011 255.621 1.00 0.00 C +ATOM 75 CA ASP A 75 259.194 246.491 252.077 1.00 0.00 C +ATOM 76 CA ALA A 76 261.173 246.307 248.827 1.00 0.00 C +ATOM 77 CA THR A 77 263.945 248.914 248.654 1.00 0.00 C +ATOM 78 CA PRO A 78 264.767 250.396 245.242 1.00 0.00 C +ATOM 79 CA PRO A 79 262.879 253.657 244.676 1.00 0.00 C +ATOM 80 CA PRO A 80 259.174 254.392 244.179 1.00 0.00 C +ATOM 81 CA ASP A 81 257.223 257.005 242.208 1.00 0.00 C +ATOM 82 CA GLY A 82 254.014 258.914 241.451 1.00 0.00 C +ATOM 83 CA ILE A 83 252.668 258.131 237.973 1.00 0.00 C +ATOM 84 CA PRO A 84 252.970 255.018 235.798 1.00 0.00 C +ATOM 85 CA ALA A 85 254.852 251.727 236.178 1.00 0.00 C +ATOM 86 CA PRO A 86 252.996 249.252 233.955 1.00 0.00 C +ATOM 87 CA ASP A 87 250.500 248.907 231.096 1.00 0.00 C +ATOM 88 CA ALA A 88 249.544 245.858 229.021 1.00 0.00 C +ATOM 89 CA ALA A 89 251.902 243.211 227.624 1.00 0.00 C +ATOM 90 CA SER A 90 250.806 239.573 227.904 1.00 0.00 C +ATOM 91 CA ALA A 91 251.768 236.442 225.959 1.00 0.00 C +ATOM 92 CA PRO A 92 252.227 233.759 223.292 1.00 0.00 C +ATOM 93 CA ASP A 93 249.847 233.242 220.362 1.00 0.00 C +ATOM 94 CA ALA A 94 246.473 234.984 220.671 1.00 0.00 C +ATOM 95 CA ALA A 95 243.053 235.186 222.337 1.00 0.00 C +ATOM 96 CA PRO A 96 239.421 234.749 223.403 1.00 0.00 C +ATOM 97 CA ALA A 97 238.332 232.353 226.159 1.00 0.00 C +ATOM 98 CA SER A 98 237.421 231.383 229.729 1.00 0.00 C +ATOM 99 CA ASP A 99 237.169 231.476 233.529 1.00 0.00 C +ATOM 100 CA ALA A 100 240.254 233.244 234.896 1.00 0.00 C +ATOM 101 CA VAL A 101 241.561 236.102 232.741 1.00 0.00 C +ATOM 102 CA VAL A 102 239.187 238.502 230.975 1.00 0.00 C +ATOM 103 CA PRO A 103 235.633 239.734 231.583 1.00 0.00 C +ATOM 104 CA SER A 104 232.907 241.555 233.525 1.00 0.00 C +ATOM 105 CA ASP A 105 232.244 239.623 236.741 1.00 0.00 C +ATOM 106 CA ALA A 106 234.831 238.643 239.360 1.00 0.00 C +ATOM 107 CA MET A 107 234.292 237.475 242.947 1.00 0.00 C +ATOM 108 CA PRO A 108 236.889 236.816 245.656 1.00 0.00 C +ATOM 109 CA ALA A 109 240.446 235.474 245.406 1.00 0.00 C +ATOM 110 CA GLU A 110 241.261 232.355 243.375 1.00 0.00 C +ATOM 111 CA PRO A 111 241.621 230.180 240.268 1.00 0.00 C +ATOM 112 CA PRO A 112 244.681 230.173 237.998 1.00 0.00 C +ATOM 113 CA LEU A 113 245.584 226.530 237.344 1.00 0.00 C +ATOM 114 CA ARG A 114 247.641 223.343 237.708 1.00 0.00 C +ATOM 115 CA ALA A 115 246.797 220.946 240.547 1.00 0.00 C +ATOM 116 CA ARG A 116 244.669 222.274 243.414 1.00 0.00 C +ATOM 117 CA ARG A 117 241.182 223.558 244.254 1.00 0.00 C +ATOM 118 CA ARG A 118 239.598 226.709 245.695 1.00 0.00 C +ATOM 119 CA ARG A 119 242.024 228.081 248.292 1.00 0.00 C +ATOM 120 CA ARG A 120 243.842 229.005 251.511 1.00 0.00 C +ATOM 121 CA ALA A 121 245.078 231.968 253.563 1.00 0.00 C +ATOM 122 CA LYS A 122 243.930 232.640 257.133 1.00 0.00 C +TER 123 LYS A 122 +END diff --git a/Mammals/Q5YAB3/Q5YAB3.dcd b/Mammals/Q5YAB3/Q5YAB3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..cae9e2a38bd0e6522cdf9f8eb791cdf935579401 --- /dev/null +++ b/Mammals/Q5YAB3/Q5YAB3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d1e9b474fc3766353339fcde161d1b4ce1c315c73148174df70a551b722ca806 +size 11840276 diff --git a/Mammals/Q5YAB3/top.pdb b/Mammals/Q5YAB3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5f8af5b2411f2deb88ed912dfe120081b4990dd7 --- /dev/null +++ b/Mammals/Q5YAB3/top.pdb @@ -0,0 +1,96 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ARG A 1 235.047 270.714 256.402 1.00 0.00 C +ATOM 2 CA ALA A 2 236.758 273.895 257.613 1.00 0.00 C +ATOM 3 CA LYS A 3 236.470 274.327 261.387 1.00 0.00 C +ATOM 4 CA LEU A 4 239.239 276.294 263.113 1.00 0.00 C +ATOM 5 CA HIS A 5 241.908 278.390 261.381 1.00 0.00 C +ATOM 6 CA GLY A 6 242.834 278.022 257.704 1.00 0.00 C +ATOM 7 CA ARG A 7 243.811 281.039 255.591 1.00 0.00 C +ATOM 8 CA PRO A 8 241.114 282.338 253.235 1.00 0.00 C +ATOM 9 CA PRO A 9 237.745 281.114 254.525 1.00 0.00 C +ATOM 10 CA ARG A 10 235.050 283.432 255.896 1.00 0.00 C +ATOM 11 CA ARG A 11 233.735 285.686 258.672 1.00 0.00 C +ATOM 12 CA PRO A 12 231.174 288.437 258.049 1.00 0.00 C +ATOM 13 CA SER A 13 232.920 291.634 256.934 1.00 0.00 C +ATOM 14 CA GLY A 14 235.838 293.967 257.681 1.00 0.00 C +ATOM 15 CA PRO A 15 238.390 292.343 259.999 1.00 0.00 C +ATOM 16 CA GLY A 16 239.764 288.791 260.097 1.00 0.00 C +ATOM 17 CA PRO A 17 238.813 286.390 262.898 1.00 0.00 C +ATOM 18 CA PRO A 18 238.200 286.899 266.624 1.00 0.00 C +ATOM 19 CA PRO A 19 241.353 285.663 268.369 1.00 0.00 C +ATOM 20 CA PRO A 20 245.049 284.955 267.775 1.00 0.00 C +ATOM 21 CA ASP A 21 248.535 284.603 269.271 1.00 0.00 C +ATOM 22 CA GLY A 22 250.805 284.246 272.311 1.00 0.00 C +ATOM 23 CA SER A 23 250.421 283.755 276.070 1.00 0.00 C +ATOM 24 CA PRO A 24 247.897 281.056 276.998 1.00 0.00 C +ATOM 25 CA VAL A 25 246.679 277.521 277.729 1.00 0.00 C +ATOM 26 CA PRO A 26 243.036 276.497 278.167 1.00 0.00 C +ATOM 27 CA ASP A 27 239.882 274.607 279.167 1.00 0.00 C +ATOM 28 CA ALA A 28 238.160 272.909 276.223 1.00 0.00 C +ATOM 29 CA ALA A 29 238.825 274.340 272.755 1.00 0.00 C +ATOM 30 CA VAL A 30 239.665 272.388 269.593 1.00 0.00 C +ATOM 31 CA CYS A 31 243.473 272.437 269.466 1.00 0.00 C +ATOM 32 CA PRO A 32 247.205 271.988 270.084 1.00 0.00 C +ATOM 33 CA ASP A 33 248.017 268.331 269.389 1.00 0.00 C +ATOM 34 CA ALA A 34 247.076 265.059 271.100 1.00 0.00 C +ATOM 35 CA ILE A 35 249.337 263.291 273.605 1.00 0.00 C +ATOM 36 CA PRO A 36 249.027 259.556 272.923 1.00 0.00 C +ATOM 37 CA ALA A 37 249.832 256.099 274.308 1.00 0.00 C +ATOM 38 CA PRO A 38 249.763 252.293 274.161 1.00 0.00 C +ATOM 39 CA ASP A 39 252.491 249.640 273.958 1.00 0.00 C +ATOM 40 CA CYS A 40 253.885 249.206 270.439 1.00 0.00 C +ATOM 41 CA ILE A 41 255.243 252.611 269.400 1.00 0.00 C +ATOM 42 CA PRO A 42 252.956 254.319 266.876 1.00 0.00 C +ATOM 43 CA ALA A 43 253.372 257.168 264.380 1.00 0.00 C +ATOM 44 CA PRO A 44 254.364 256.780 260.722 1.00 0.00 C +ATOM 45 CA ASP A 45 253.386 259.713 258.495 1.00 0.00 C +ATOM 46 CA ALA A 46 253.898 260.269 254.761 1.00 0.00 C +ATOM 47 CA THR A 47 251.337 261.751 252.361 1.00 0.00 C +ATOM 48 CA PRO A 48 250.221 259.713 249.341 1.00 0.00 C +ATOM 49 CA PRO A 49 249.188 257.853 246.180 1.00 0.00 C +ATOM 50 CA PRO A 50 251.305 255.961 243.641 1.00 0.00 C +ATOM 51 CA ASP A 51 252.532 252.456 242.785 1.00 0.00 C +ATOM 52 CA GLY A 52 253.161 248.740 243.340 1.00 0.00 C +ATOM 53 CA ILE A 53 255.478 247.808 246.217 1.00 0.00 C +ATOM 54 CA PRO A 54 256.522 244.147 246.057 1.00 0.00 C +ATOM 55 CA ALA A 55 255.864 240.414 245.678 1.00 0.00 C +ATOM 56 CA PRO A 56 256.892 238.424 248.760 1.00 0.00 C +ATOM 57 CA ASP A 57 255.115 235.086 249.224 1.00 0.00 C +ATOM 58 CA VAL A 58 257.165 233.020 251.682 1.00 0.00 C +ATOM 59 CA ALA A 59 257.963 229.301 251.917 1.00 0.00 C +ATOM 60 CA VAL A 60 259.982 227.296 249.384 1.00 0.00 C +ATOM 61 CA PRO A 61 259.812 223.738 248.031 1.00 0.00 C +ATOM 62 CA PRO A 62 256.575 222.548 246.412 1.00 0.00 C +ATOM 63 CA ASP A 63 256.764 223.557 242.743 1.00 0.00 C +ATOM 64 CA ALA A 64 256.661 220.556 240.398 1.00 0.00 C +ATOM 65 CA THR A 65 254.855 217.523 238.965 1.00 0.00 C +ATOM 66 CA PRO A 66 252.916 217.321 235.691 1.00 0.00 C +ATOM 67 CA ALA A 67 252.290 213.642 234.927 1.00 0.00 C +ATOM 68 CA SER A 68 251.500 211.990 238.269 1.00 0.00 C +ATOM 69 CA ASP A 69 250.513 208.430 237.336 1.00 0.00 C +ATOM 70 CA ALA A 70 252.194 205.552 235.490 1.00 0.00 C +ATOM 71 CA VAL A 71 250.876 204.423 232.098 1.00 0.00 C +ATOM 72 CA VAL A 72 249.418 202.984 228.885 1.00 0.00 C +ATOM 73 CA PRO A 73 247.615 205.934 227.283 1.00 0.00 C +ATOM 74 CA SER A 74 247.447 209.312 229.037 1.00 0.00 C +ATOM 75 CA ASP A 75 246.276 212.023 226.630 1.00 0.00 C +ATOM 76 CA ALA A 76 249.459 213.892 225.689 1.00 0.00 C +ATOM 77 CA MET A 77 250.080 217.442 224.450 1.00 0.00 C +ATOM 78 CA PRO A 78 247.988 220.627 224.432 1.00 0.00 C +ATOM 79 CA ALA A 79 250.315 223.360 223.154 1.00 0.00 C +ATOM 80 CA GLU A 80 252.133 225.827 225.417 1.00 0.00 C +ATOM 81 CA PRO A 81 254.710 228.582 225.951 1.00 0.00 C +ATOM 82 CA PRO A 82 258.080 229.657 224.535 1.00 0.00 C +ATOM 83 CA LEU A 83 261.504 230.691 223.221 1.00 0.00 C +ATOM 84 CA ARG A 84 263.868 228.048 221.828 1.00 0.00 C +ATOM 85 CA ALA A 85 267.112 227.110 223.592 1.00 0.00 C +ATOM 86 CA ARG A 86 269.130 224.126 222.352 1.00 0.00 C +ATOM 87 CA ARG A 87 270.017 224.262 218.649 1.00 0.00 C +ATOM 88 CA ARG A 88 270.081 220.858 216.938 1.00 0.00 C +ATOM 89 CA ARG A 89 269.481 217.981 214.514 1.00 0.00 C +ATOM 90 CA ARG A 90 265.962 216.961 213.468 1.00 0.00 C +ATOM 91 CA ALA A 91 265.159 213.448 212.232 1.00 0.00 C +ATOM 92 CA LYS A 92 264.042 210.615 214.522 1.00 0.00 C +TER 93 LYS A 92 +END diff --git a/Mammals/Q5YAB4/Q5YAB4.dcd b/Mammals/Q5YAB4/Q5YAB4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..3c1c34759522475aadc88cfa8d7ddf8069f48e60 --- /dev/null +++ b/Mammals/Q5YAB4/Q5YAB4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cdcafccd27faedbc427f7e14c4b9bfcebe95364b48aab70b8dcd421e7eca75bd +size 10760276 diff --git a/Mammals/Q5YAB4/top.pdb b/Mammals/Q5YAB4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..58b88f8a3835fc50a140e42238730700b78be5e5 --- /dev/null +++ b/Mammals/Q5YAB4/top.pdb @@ -0,0 +1,87 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA SER A 1 249.142 259.222 245.410 1.00 0.00 C +ATOM 2 CA GLY A 2 246.347 257.212 243.778 1.00 0.00 C +ATOM 3 CA ALA A 3 245.166 255.602 240.533 1.00 0.00 C +ATOM 4 CA SER A 4 243.602 252.130 240.399 1.00 0.00 C +ATOM 5 CA GLY A 5 241.797 249.459 242.429 1.00 0.00 C +ATOM 6 CA ALA A 6 238.041 249.561 243.063 1.00 0.00 C +ATOM 7 CA GLY A 7 234.736 251.327 242.379 1.00 0.00 C +ATOM 8 CA GLY A 8 233.035 254.227 244.172 1.00 0.00 C +ATOM 9 CA GLN A 9 232.475 257.959 243.652 1.00 0.00 C +ATOM 10 CA PRO A 10 233.380 259.157 240.150 1.00 0.00 C +ATOM 11 CA ALA A 11 235.845 256.904 238.315 1.00 0.00 C +ATOM 12 CA ALA A 12 239.431 258.172 238.534 1.00 0.00 C +ATOM 13 CA PRO A 13 240.949 260.362 241.258 1.00 0.00 C +ATOM 14 CA THR A 14 238.652 259.923 244.266 1.00 0.00 C +ATOM 15 CA CYS A 15 238.579 258.830 247.915 1.00 0.00 C +ATOM 16 CA THR A 16 236.341 256.316 249.701 1.00 0.00 C +ATOM 17 CA ALA A 17 235.836 252.889 251.287 1.00 0.00 C +ATOM 18 CA VAL A 18 234.436 249.381 251.785 1.00 0.00 C +ATOM 19 CA ARG A 19 234.994 246.891 254.615 1.00 0.00 C +ATOM 20 CA PRO A 20 238.135 246.758 256.767 1.00 0.00 C +ATOM 21 CA ALA A 21 239.695 246.043 260.169 1.00 0.00 C +ATOM 22 CA ALA A 22 238.451 247.459 263.480 1.00 0.00 C +ATOM 23 CA PRO A 23 236.355 244.716 265.093 1.00 0.00 C +ATOM 24 CA ALA A 24 232.975 244.035 266.713 1.00 0.00 C +ATOM 25 CA ALA A 25 230.061 241.944 267.997 1.00 0.00 C +ATOM 26 CA PRO A 26 227.545 240.072 265.833 1.00 0.00 C +ATOM 27 CA ALA A 27 228.898 238.399 262.689 1.00 0.00 C +ATOM 28 CA ARG A 28 231.739 240.406 261.134 1.00 0.00 C +ATOM 29 CA ARG A 29 233.884 239.170 258.238 1.00 0.00 C +ATOM 30 CA PRO A 30 237.604 238.735 257.543 1.00 0.00 C +ATOM 31 CA PRO A 31 239.701 236.186 259.446 1.00 0.00 C +ATOM 32 CA THR A 32 242.785 235.609 261.608 1.00 0.00 C +ATOM 33 CA ALA A 33 242.636 236.634 265.274 1.00 0.00 C +ATOM 34 CA SER A 34 241.965 234.389 268.279 1.00 0.00 C +ATOM 35 CA ARG A 35 238.811 232.479 267.318 1.00 0.00 C +ATOM 36 CA PRO A 36 237.442 230.291 264.515 1.00 0.00 C +ATOM 37 CA PRO A 37 239.134 228.338 261.716 1.00 0.00 C +ATOM 38 CA THR A 38 242.622 226.969 262.408 1.00 0.00 C +ATOM 39 CA PRO A 39 243.765 227.937 265.911 1.00 0.00 C +ATOM 40 CA PRO A 40 246.614 230.434 265.498 1.00 0.00 C +ATOM 41 CA ARG A 41 249.780 228.553 264.520 1.00 0.00 C +ATOM 42 CA PRO A 42 249.993 228.329 260.723 1.00 0.00 C +ATOM 43 CA PRO A 43 251.794 230.009 257.816 1.00 0.00 C +ATOM 44 CA THR A 44 251.777 233.777 257.252 1.00 0.00 C +ATOM 45 CA ALA A 45 253.480 236.519 255.228 1.00 0.00 C +ATOM 46 CA SER A 46 253.672 240.322 255.352 1.00 0.00 C +ATOM 47 CA ARG A 47 251.503 241.591 252.489 1.00 0.00 C +ATOM 48 CA PRO A 48 250.200 241.937 248.925 1.00 0.00 C +ATOM 49 CA PRO A 49 249.448 241.500 245.216 1.00 0.00 C +ATOM 50 CA THR A 50 247.572 243.862 242.888 1.00 0.00 C +ATOM 51 CA LEU A 51 248.659 243.198 239.297 1.00 0.00 C +ATOM 52 CA PRO A 52 250.349 242.180 236.038 1.00 0.00 C +ATOM 53 CA ARG A 53 253.958 243.363 236.333 1.00 0.00 C +ATOM 54 CA PRO A 54 256.246 240.318 236.430 1.00 0.00 C +ATOM 55 CA PRO A 55 256.218 238.689 239.874 1.00 0.00 C +ATOM 56 CA THR A 56 256.291 240.803 243.043 1.00 0.00 C +ATOM 57 CA PRO A 57 258.008 241.287 246.409 1.00 0.00 C +ATOM 58 CA PRO A 58 259.479 241.780 249.889 1.00 0.00 C +ATOM 59 CA GLN A 59 262.226 244.285 250.722 1.00 0.00 C +ATOM 60 CA PRO A 60 265.112 246.100 252.424 1.00 0.00 C +ATOM 61 CA ARG A 61 265.472 245.717 256.198 1.00 0.00 C +ATOM 62 CA MET A 62 266.192 248.942 258.094 1.00 0.00 C +ATOM 63 CA PRO A 63 264.487 252.320 258.539 1.00 0.00 C +ATOM 64 CA SER A 64 266.265 255.070 256.591 1.00 0.00 C +ATOM 65 CA CYS A 65 269.118 256.451 258.705 1.00 0.00 C +ATOM 66 CA PRO A 66 271.202 259.587 258.125 1.00 0.00 C +ATOM 67 CA ARG A 67 270.649 261.501 254.877 1.00 0.00 C +ATOM 68 CA THR A 68 272.736 263.836 252.707 1.00 0.00 C +ATOM 69 CA PRO A 69 271.772 264.609 249.103 1.00 0.00 C +ATOM 70 CA CYS A 70 274.215 265.455 246.305 1.00 0.00 C +ATOM 71 CA ARG A 71 273.114 266.739 242.891 1.00 0.00 C +ATOM 72 CA PRO A 72 273.332 270.490 242.260 1.00 0.00 C +ATOM 73 CA ASN A 73 271.512 272.412 245.001 1.00 0.00 C +ATOM 74 CA PRO A 74 267.811 272.511 244.102 1.00 0.00 C +ATOM 75 CA ARG A 75 267.255 269.691 241.602 1.00 0.00 C +ATOM 76 CA CYS A 76 267.163 270.898 237.989 1.00 0.00 C +ATOM 77 CA GLY A 77 268.127 270.966 234.304 1.00 0.00 C +ATOM 78 CA PRO A 78 267.485 271.441 230.578 1.00 0.00 C +ATOM 79 CA ALA A 79 263.858 272.454 229.999 1.00 0.00 C +ATOM 80 CA GLY A 80 262.540 275.937 230.804 1.00 0.00 C +ATOM 81 CA GLY A 81 260.402 278.020 228.436 1.00 0.00 C +ATOM 82 CA ASP A 82 259.043 280.579 225.962 1.00 0.00 C +ATOM 83 CA ALA A 83 256.882 283.448 224.690 1.00 0.00 C +TER 84 ALA A 83 +END diff --git a/Mammals/Q5YAB5/Q5YAB5.dcd b/Mammals/Q5YAB5/Q5YAB5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a5f053d2f266b9070090e212c1f0c3411e5ead88 --- /dev/null +++ b/Mammals/Q5YAB5/Q5YAB5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c43d4d5675ee36f48db307282b7cfda7c19eeefe241c4fa9e4a31faf19a70b70 +size 9440276 diff --git a/Mammals/Q5YAB5/top.pdb b/Mammals/Q5YAB5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7b3082b02d67f7e2a0aff4c4fb8f7d7c510d4443 --- /dev/null +++ b/Mammals/Q5YAB5/top.pdb @@ -0,0 +1,76 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ARG A 1 306.572 278.601 234.233 1.00 0.00 C +ATOM 2 CA TRP A 2 307.648 276.174 231.501 1.00 0.00 C +ATOM 3 CA GLY A 3 304.580 274.095 230.617 1.00 0.00 C +ATOM 4 CA ALA A 4 300.836 273.412 230.797 1.00 0.00 C +ATOM 5 CA ALA A 5 297.228 274.590 230.467 1.00 0.00 C +ATOM 6 CA ARG A 6 293.688 273.426 229.674 1.00 0.00 C +ATOM 7 CA ARG A 7 290.448 271.551 228.964 1.00 0.00 C +ATOM 8 CA ALA A 8 289.004 268.649 230.966 1.00 0.00 C +ATOM 9 CA HIS A 9 285.921 266.585 230.095 1.00 0.00 C +ATOM 10 CA LEU A 10 283.261 266.810 232.812 1.00 0.00 C +ATOM 11 CA HIS A 11 282.812 269.925 234.960 1.00 0.00 C +ATOM 12 CA GLY A 12 283.862 269.820 238.621 1.00 0.00 C +ATOM 13 CA ARG A 13 285.393 268.100 241.656 1.00 0.00 C +ATOM 14 CA ALA A 14 283.449 266.865 244.691 1.00 0.00 C +ATOM 15 CA PRO A 15 284.777 268.431 247.901 1.00 0.00 C +ATOM 16 CA ARG A 16 285.147 271.713 249.800 1.00 0.00 C +ATOM 17 CA ARG A 17 282.124 272.432 252.004 1.00 0.00 C +ATOM 18 CA PRO A 18 279.632 273.140 254.799 1.00 0.00 C +ATOM 19 CA SER A 19 276.257 272.204 256.298 1.00 0.00 C +ATOM 20 CA GLY A 20 274.189 269.772 258.377 1.00 0.00 C +ATOM 21 CA PRO A 21 270.746 269.687 256.747 1.00 0.00 C +ATOM 22 CA GLY A 22 269.802 272.132 253.981 1.00 0.00 C +ATOM 23 CA PRO A 23 266.141 272.393 252.957 1.00 0.00 C +ATOM 24 CA PRO A 24 262.730 272.192 251.273 1.00 0.00 C +ATOM 25 CA PRO A 25 260.395 269.250 250.630 1.00 0.00 C +ATOM 26 CA PRO A 26 261.002 266.240 252.885 1.00 0.00 C +ATOM 27 CA ASP A 27 257.919 266.010 255.111 1.00 0.00 C +ATOM 28 CA GLY A 28 255.460 265.385 257.953 1.00 0.00 C +ATOM 29 CA ILE A 29 253.855 262.432 259.748 1.00 0.00 C +ATOM 30 CA PRO A 30 253.123 258.880 258.581 1.00 0.00 C +ATOM 31 CA PRO A 31 253.538 255.120 259.035 1.00 0.00 C +ATOM 32 CA PRO A 32 250.576 253.213 260.484 1.00 0.00 C +ATOM 33 CA ASP A 33 248.932 250.677 258.163 1.00 0.00 C +ATOM 34 CA ALA A 34 245.694 248.799 257.455 1.00 0.00 C +ATOM 35 CA ALA A 35 242.240 248.939 255.851 1.00 0.00 C +ATOM 36 CA PRO A 36 240.643 245.816 254.365 1.00 0.00 C +ATOM 37 CA PRO A 37 237.400 244.299 255.666 1.00 0.00 C +ATOM 38 CA PRO A 38 233.899 244.969 254.319 1.00 0.00 C +ATOM 39 CA ASP A 39 230.228 245.642 253.554 1.00 0.00 C +ATOM 40 CA ALA A 40 227.696 245.342 250.723 1.00 0.00 C +ATOM 41 CA ALA A 41 228.643 243.152 247.753 1.00 0.00 C +ATOM 42 CA PRO A 42 228.144 239.893 245.842 1.00 0.00 C +ATOM 43 CA PRO A 43 225.826 236.874 246.018 1.00 0.00 C +ATOM 44 CA PRO A 44 225.281 233.887 248.319 1.00 0.00 C +ATOM 45 CA ASP A 45 227.379 233.030 251.382 1.00 0.00 C +ATOM 46 CA GLY A 46 227.225 231.282 254.764 1.00 0.00 C +ATOM 47 CA THR A 47 226.719 232.784 258.229 1.00 0.00 C +ATOM 48 CA PRO A 48 223.381 232.071 259.920 1.00 0.00 C +ATOM 49 CA ALA A 49 222.375 228.397 259.885 1.00 0.00 C +ATOM 50 CA SER A 50 220.966 227.697 256.415 1.00 0.00 C +ATOM 51 CA ASP A 51 218.696 229.844 254.234 1.00 0.00 C +ATOM 52 CA ALA A 52 215.760 231.205 256.245 1.00 0.00 C +ATOM 53 CA VAL A 53 212.668 229.988 254.382 1.00 0.00 C +ATOM 54 CA VAL A 54 211.556 229.423 250.782 1.00 0.00 C +ATOM 55 CA PRO A 55 211.719 227.763 247.356 1.00 0.00 C +ATOM 56 CA SER A 56 213.705 224.834 245.943 1.00 0.00 C +ATOM 57 CA ASP A 57 217.491 225.243 245.830 1.00 0.00 C +ATOM 58 CA ALA A 58 220.609 223.971 244.048 1.00 0.00 C +ATOM 59 CA MET A 59 224.101 223.373 245.451 1.00 0.00 C +ATOM 60 CA PRO A 60 226.876 225.491 243.924 1.00 0.00 C +ATOM 61 CA ALA A 61 229.729 226.402 246.280 1.00 0.00 C +ATOM 62 CA GLU A 62 231.191 228.136 249.340 1.00 0.00 C +ATOM 63 CA PRO A 63 234.678 227.953 250.865 1.00 0.00 C +ATOM 64 CA PRO A 64 236.036 228.830 254.315 1.00 0.00 C +ATOM 65 CA LEU A 65 234.842 230.168 257.677 1.00 0.00 C +ATOM 66 CA ARG A 66 232.955 233.473 257.490 1.00 0.00 C +ATOM 67 CA ALA A 67 234.192 237.059 257.137 1.00 0.00 C +ATOM 68 CA ARG A 68 231.899 239.521 258.925 1.00 0.00 C +ATOM 69 CA ARG A 69 228.102 239.212 258.936 1.00 0.00 C +ATOM 70 CA ARG A 70 225.418 238.319 261.489 1.00 0.00 C +ATOM 71 CA ARG A 71 226.110 236.975 264.986 1.00 0.00 C +ATOM 72 CA ARG A 72 226.882 240.034 267.122 1.00 0.00 C +TER 73 ARG A 72 +END diff --git a/Mammals/Q5YAB6/Q5YAB6.dcd b/Mammals/Q5YAB6/Q5YAB6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..5ea05cd290833765c4c2504eed82d808b5745b59 --- /dev/null +++ b/Mammals/Q5YAB6/Q5YAB6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9002e3ed2bf9c30ae3531a607235dbf626329e994b2b515cbb6ef68182a57e86 +size 10040276 diff --git a/Mammals/Q5YAB6/top.pdb b/Mammals/Q5YAB6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ef6aa9cf44c4aadf1de5ceed2f18ddfbcf6eb045 --- /dev/null +++ b/Mammals/Q5YAB6/top.pdb @@ -0,0 +1,81 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLY A 1 241.216 219.412 253.373 1.00 0.00 C +ATOM 2 CA PRO A 2 240.006 218.168 256.765 1.00 0.00 C +ATOM 3 CA ARG A 3 242.539 218.440 259.597 1.00 0.00 C +ATOM 4 CA SER A 4 245.616 220.601 260.214 1.00 0.00 C +ATOM 5 CA GLY A 5 248.794 220.735 258.117 1.00 0.00 C +ATOM 6 CA ALA A 6 250.785 223.963 258.481 1.00 0.00 C +ATOM 7 CA SER A 7 248.444 226.958 258.220 1.00 0.00 C +ATOM 8 CA GLY A 8 244.725 227.637 257.744 1.00 0.00 C +ATOM 9 CA ALA A 9 243.460 229.460 254.647 1.00 0.00 C +ATOM 10 CA GLY A 10 245.025 232.525 253.012 1.00 0.00 C +ATOM 11 CA GLY A 11 244.610 236.182 252.027 1.00 0.00 C +ATOM 12 CA GLN A 12 245.033 238.847 249.338 1.00 0.00 C +ATOM 13 CA PRO A 13 245.425 242.409 250.631 1.00 0.00 C +ATOM 14 CA ALA A 14 248.311 243.937 248.668 1.00 0.00 C +ATOM 15 CA ALA A 15 250.399 243.181 245.572 1.00 0.00 C +ATOM 16 CA PRO A 16 251.013 241.431 242.244 1.00 0.00 C +ATOM 17 CA THR A 17 252.134 243.830 239.505 1.00 0.00 C +ATOM 18 CA CYS A 18 254.158 242.626 236.510 1.00 0.00 C +ATOM 19 CA THR A 19 255.899 239.347 235.654 1.00 0.00 C +ATOM 20 CA ALA A 20 259.239 238.812 237.408 1.00 0.00 C +ATOM 21 CA VAL A 21 262.292 239.886 239.418 1.00 0.00 C +ATOM 22 CA ARG A 22 262.417 237.499 242.384 1.00 0.00 C +ATOM 23 CA PRO A 23 266.102 237.204 243.308 1.00 0.00 C +ATOM 24 CA ALA A 24 269.199 238.785 244.865 1.00 0.00 C +ATOM 25 CA ALA A 25 271.921 239.365 247.468 1.00 0.00 C +ATOM 26 CA PRO A 26 271.570 241.328 250.715 1.00 0.00 C +ATOM 27 CA ALA A 27 273.160 240.561 254.091 1.00 0.00 C +ATOM 28 CA ALA A 28 273.092 241.104 257.862 1.00 0.00 C +ATOM 29 CA PRO A 29 272.189 243.810 260.387 1.00 0.00 C +ATOM 30 CA ALA A 30 269.467 246.420 259.847 1.00 0.00 C +ATOM 31 CA ARG A 31 271.235 249.616 258.763 1.00 0.00 C +ATOM 32 CA ARG A 32 271.381 251.992 255.788 1.00 0.00 C +ATOM 33 CA PRO A 33 270.498 254.392 252.964 1.00 0.00 C +ATOM 34 CA PRO A 34 269.111 257.904 252.454 1.00 0.00 C +ATOM 35 CA THR A 35 270.765 261.019 251.014 1.00 0.00 C +ATOM 36 CA ALA A 36 270.052 264.579 249.858 1.00 0.00 C +ATOM 37 CA SER A 37 269.238 268.300 249.795 1.00 0.00 C +ATOM 38 CA ARG A 38 269.781 271.248 252.148 1.00 0.00 C +ATOM 39 CA PRO A 39 270.807 270.408 255.720 1.00 0.00 C +ATOM 40 CA PRO A 40 271.522 273.178 258.237 1.00 0.00 C +ATOM 41 CA THR A 41 268.689 275.589 259.059 1.00 0.00 C +ATOM 42 CA PRO A 42 267.049 277.897 261.609 1.00 0.00 C +ATOM 43 CA PRO A 43 264.081 280.022 260.518 1.00 0.00 C +ATOM 44 CA ARG A 44 263.498 279.242 256.835 1.00 0.00 C +ATOM 45 CA PRO A 45 260.557 277.475 255.178 1.00 0.00 C +ATOM 46 CA PRO A 46 257.368 275.940 253.768 1.00 0.00 C +ATOM 47 CA THR A 47 256.213 274.289 250.534 1.00 0.00 C +ATOM 48 CA ALA A 48 258.327 275.294 247.528 1.00 0.00 C +ATOM 49 CA PRO A 49 259.143 273.927 244.066 1.00 0.00 C +ATOM 50 CA GLN A 50 260.401 270.910 242.108 1.00 0.00 C +ATOM 51 CA PRO A 51 258.259 269.663 239.214 1.00 0.00 C +ATOM 52 CA ARG A 52 254.892 268.595 237.787 1.00 0.00 C +ATOM 53 CA MET A 53 251.361 268.627 239.216 1.00 0.00 C +ATOM 54 CA PRO A 54 249.784 265.420 240.535 1.00 0.00 C +ATOM 55 CA SER A 55 250.709 262.037 242.024 1.00 0.00 C +ATOM 56 CA CYS A 56 249.309 261.395 245.509 1.00 0.00 C +ATOM 57 CA PRO A 57 249.120 260.555 249.220 1.00 0.00 C +ATOM 58 CA ARG A 58 245.776 258.873 249.928 1.00 0.00 C +ATOM 59 CA THR A 59 244.938 255.192 250.447 1.00 0.00 C +ATOM 60 CA PRO A 60 243.033 252.199 251.834 1.00 0.00 C +ATOM 61 CA CYS A 61 239.240 252.160 251.472 1.00 0.00 C +ATOM 62 CA ARG A 62 236.260 250.150 250.208 1.00 0.00 C +ATOM 63 CA PRO A 63 237.412 246.672 249.162 1.00 0.00 C +ATOM 64 CA ASN A 64 237.650 243.418 251.130 1.00 0.00 C +ATOM 65 CA PRO A 65 234.872 240.811 251.092 1.00 0.00 C +ATOM 66 CA ARG A 66 231.598 241.966 252.662 1.00 0.00 C +ATOM 67 CA CYS A 67 228.271 240.127 252.402 1.00 0.00 C +ATOM 68 CA GLY A 68 225.463 242.661 251.939 1.00 0.00 C +ATOM 69 CA PRO A 69 222.669 245.245 252.106 1.00 0.00 C +ATOM 70 CA ALA A 70 219.043 244.262 251.470 1.00 0.00 C +ATOM 71 CA GLY A 71 216.106 246.665 251.810 1.00 0.00 C +ATOM 72 CA GLY A 72 213.666 248.716 249.723 1.00 0.00 C +ATOM 73 CA ASP A 73 211.118 250.675 247.676 1.00 0.00 C +ATOM 74 CA ALA A 74 211.831 250.920 243.941 1.00 0.00 C +ATOM 75 CA PRO A 75 209.893 248.283 241.990 1.00 0.00 C +ATOM 76 CA ARG A 76 206.683 249.056 240.089 1.00 0.00 C +ATOM 77 CA SER A 77 203.094 247.977 239.402 1.00 0.00 C +TER 78 SER A 77 +END diff --git a/Mammals/Q5YAB7/Q5YAB7.dcd b/Mammals/Q5YAB7/Q5YAB7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..02d7c83f8b1285009400f2c3f79aa5d5a872f4a3 --- /dev/null +++ b/Mammals/Q5YAB7/Q5YAB7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eabe1f74cbbaa02c039e12f25fdde69d421f1e043e9d922241a29cec8f20088c +size 13280276 diff --git a/Mammals/Q5YAB7/top.pdb b/Mammals/Q5YAB7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..811ecf9db4bca4bd0a72d387fa89b62a657a2871 --- /dev/null +++ b/Mammals/Q5YAB7/top.pdb @@ -0,0 +1,108 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ARG A 1 245.753 257.250 282.344 1.00 0.00 C +ATOM 2 CA ALA A 2 245.016 253.926 280.633 1.00 0.00 C +ATOM 3 CA LYS A 3 244.470 250.280 279.673 1.00 0.00 C +ATOM 4 CA LEU A 4 245.517 246.686 278.964 1.00 0.00 C +ATOM 5 CA HIS A 5 248.621 246.141 276.824 1.00 0.00 C +ATOM 6 CA GLY A 6 251.697 245.556 274.652 1.00 0.00 C +ATOM 7 CA ARG A 7 252.533 248.504 272.389 1.00 0.00 C +ATOM 8 CA ALA A 8 256.197 249.292 271.703 1.00 0.00 C +ATOM 9 CA PRO A 9 257.640 252.614 270.521 1.00 0.00 C +ATOM 10 CA ARG A 10 257.822 252.390 266.721 1.00 0.00 C +ATOM 11 CA ARG A 11 256.289 249.277 265.149 1.00 0.00 C +ATOM 12 CA PRO A 12 253.462 246.835 265.899 1.00 0.00 C +ATOM 13 CA SER A 13 249.705 246.557 265.329 1.00 0.00 C +ATOM 14 CA GLY A 14 246.536 246.077 267.389 1.00 0.00 C +ATOM 15 CA PRO A 15 244.310 242.988 267.510 1.00 0.00 C +ATOM 16 CA GLY A 16 244.431 239.577 269.203 1.00 0.00 C +ATOM 17 CA PRO A 17 243.723 236.613 271.489 1.00 0.00 C +ATOM 18 CA PRO A 18 240.005 236.000 272.054 1.00 0.00 C +ATOM 19 CA PRO A 19 236.611 234.649 270.971 1.00 0.00 C +ATOM 20 CA PRO A 20 234.166 234.565 268.051 1.00 0.00 C +ATOM 21 CA ASP A 21 232.530 237.817 266.925 1.00 0.00 C +ATOM 22 CA GLY A 22 232.973 241.599 267.044 1.00 0.00 C +ATOM 23 CA ILE A 23 232.973 245.070 265.473 1.00 0.00 C +ATOM 24 CA PRO A 24 233.396 248.261 267.511 1.00 0.00 C +ATOM 25 CA ALA A 25 231.962 247.589 270.976 1.00 0.00 C +ATOM 26 CA PRO A 26 234.681 246.586 273.449 1.00 0.00 C +ATOM 27 CA ASP A 27 236.674 244.023 275.443 1.00 0.00 C +ATOM 28 CA ALA A 28 240.136 243.526 273.933 1.00 0.00 C +ATOM 29 CA ALA A 29 241.120 246.736 272.132 1.00 0.00 C +ATOM 30 CA ALA A 30 241.062 250.522 272.557 1.00 0.00 C +ATOM 31 CA PRO A 31 242.442 252.470 269.588 1.00 0.00 C +ATOM 32 CA PRO A 32 244.852 252.980 266.681 1.00 0.00 C +ATOM 33 CA ASP A 33 245.733 256.308 265.048 1.00 0.00 C +ATOM 34 CA ALA A 34 246.562 259.093 267.511 1.00 0.00 C +ATOM 35 CA ILE A 35 245.207 262.641 267.199 1.00 0.00 C +ATOM 36 CA PRO A 36 245.726 264.321 270.579 1.00 0.00 C +ATOM 37 CA ALA A 37 245.118 268.054 270.116 1.00 0.00 C +ATOM 38 CA PRO A 38 242.065 269.231 272.068 1.00 0.00 C +ATOM 39 CA ASP A 39 238.261 269.169 272.283 1.00 0.00 C +ATOM 40 CA CYS A 40 236.438 266.261 273.936 1.00 0.00 C +ATOM 41 CA ILE A 41 235.678 267.241 277.538 1.00 0.00 C +ATOM 42 CA PRO A 42 237.020 269.964 279.840 1.00 0.00 C +ATOM 43 CA PRO A 43 238.627 270.983 283.141 1.00 0.00 C +ATOM 44 CA HIS A 44 242.139 272.286 283.838 1.00 0.00 C +ATOM 45 CA ASP A 45 243.333 274.745 281.184 1.00 0.00 C +ATOM 46 CA ALA A 46 241.502 273.956 277.937 1.00 0.00 C +ATOM 47 CA ILE A 47 241.565 276.992 275.637 1.00 0.00 C +ATOM 48 CA PRO A 48 242.408 276.634 271.938 1.00 0.00 C +ATOM 49 CA ALA A 49 241.747 274.483 268.864 1.00 0.00 C +ATOM 50 CA PRO A 50 238.830 275.058 266.482 1.00 0.00 C +ATOM 51 CA TYR A 51 236.212 276.065 263.903 1.00 0.00 C +ATOM 52 CA ALA A 52 236.976 276.673 260.221 1.00 0.00 C +ATOM 53 CA ILE A 53 238.878 277.880 257.148 1.00 0.00 C +ATOM 54 CA PRO A 54 239.815 278.208 253.469 1.00 0.00 C +ATOM 55 CA GLY A 55 242.090 275.225 252.807 1.00 0.00 C +ATOM 56 CA PRO A 56 239.903 272.128 253.189 1.00 0.00 C +ATOM 57 CA ASP A 57 238.229 268.746 252.665 1.00 0.00 C +ATOM 58 CA ALA A 58 241.035 266.226 253.206 1.00 0.00 C +ATOM 59 CA THR A 59 242.934 264.350 250.487 1.00 0.00 C +ATOM 60 CA PRO A 60 245.507 261.923 251.906 1.00 0.00 C +ATOM 61 CA PRO A 61 247.139 258.922 250.220 1.00 0.00 C +ATOM 62 CA PRO A 62 250.131 256.569 250.388 1.00 0.00 C +ATOM 63 CA ASP A 63 251.893 253.925 248.286 1.00 0.00 C +ATOM 64 CA ALA A 64 253.789 251.257 250.236 1.00 0.00 C +ATOM 65 CA ILE A 65 252.541 247.739 249.470 1.00 0.00 C +ATOM 66 CA PRO A 66 250.931 247.719 246.017 1.00 0.00 C +ATOM 67 CA GLY A 67 249.697 244.246 245.052 1.00 0.00 C +ATOM 68 CA PRO A 68 248.140 240.908 244.079 1.00 0.00 C +ATOM 69 CA ASP A 69 249.420 239.767 240.676 1.00 0.00 C +ATOM 70 CA ALA A 70 252.466 241.553 239.244 1.00 0.00 C +ATOM 71 CA THR A 71 253.998 244.644 237.627 1.00 0.00 C +ATOM 72 CA PRO A 72 255.576 247.676 235.944 1.00 0.00 C +ATOM 73 CA PRO A 73 259.094 249.078 235.524 1.00 0.00 C +ATOM 74 CA PRO A 74 262.736 248.994 234.410 1.00 0.00 C +ATOM 75 CA ASP A 75 266.280 250.267 234.988 1.00 0.00 C +ATOM 76 CA ALA A 76 268.686 251.943 232.554 1.00 0.00 C +ATOM 77 CA THR A 77 269.916 252.260 228.962 1.00 0.00 C +ATOM 78 CA PRO A 78 270.037 250.741 225.470 1.00 0.00 C +ATOM 79 CA ALA A 79 270.375 248.383 222.496 1.00 0.00 C +ATOM 80 CA SER A 80 268.680 246.560 219.612 1.00 0.00 C +ATOM 81 CA ASP A 81 269.641 243.171 218.160 1.00 0.00 C +ATOM 82 CA ALA A 82 266.479 241.818 216.521 1.00 0.00 C +ATOM 83 CA VAL A 83 262.981 243.322 216.644 1.00 0.00 C +ATOM 84 CA LEU A 84 261.003 244.820 219.535 1.00 0.00 C +ATOM 85 CA PRO A 85 258.904 244.325 222.676 1.00 0.00 C +ATOM 86 CA SER A 86 255.165 244.817 222.136 1.00 0.00 C +ATOM 87 CA ASP A 87 252.618 242.011 222.532 1.00 0.00 C +ATOM 88 CA ALA A 88 253.374 238.580 221.059 1.00 0.00 C +ATOM 89 CA MET A 89 250.436 236.435 219.926 1.00 0.00 C +ATOM 90 CA PRO A 90 250.857 233.324 217.768 1.00 0.00 C +ATOM 91 CA ALA A 91 253.618 230.862 216.854 1.00 0.00 C +ATOM 92 CA GLU A 92 256.296 231.496 214.219 1.00 0.00 C +ATOM 93 CA PRO A 93 259.843 232.859 213.941 1.00 0.00 C +ATOM 94 CA PRO A 94 263.388 234.254 213.894 1.00 0.00 C +ATOM 95 CA LEU A 95 266.162 232.274 212.192 1.00 0.00 C +ATOM 96 CA ARG A 96 266.725 233.240 208.549 1.00 0.00 C +ATOM 97 CA ALA A 97 268.874 231.971 205.671 1.00 0.00 C +ATOM 98 CA ARG A 98 266.801 230.721 202.729 1.00 0.00 C +ATOM 99 CA ARG A 99 268.093 227.737 200.743 1.00 0.00 C +ATOM 100 CA ARG A 100 267.764 223.944 200.884 1.00 0.00 C +ATOM 101 CA ARG A 101 268.233 221.372 198.112 1.00 0.00 C +ATOM 102 CA ARG A 102 268.504 217.581 197.849 1.00 0.00 C +ATOM 103 CA ALA A 103 271.273 214.966 197.952 1.00 0.00 C +ATOM 104 CA LYS A 104 272.603 213.150 194.878 1.00 0.00 C +TER 105 LYS A 104 +END diff --git a/Mammals/Q5YCV4/Q5YCV4.dcd b/Mammals/Q5YCV4/Q5YCV4.dcd new file mode 100644 index 0000000000000000000000000000000000000000..1d636afa8a297747ebf523fcd6c8a60f5cdec225 --- /dev/null +++ b/Mammals/Q5YCV4/Q5YCV4.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:764d5766e9e51a9f4c11ccf58a245ffa031c21c4cd05335d290fdf7a5cd90b66 +size 9560276 diff --git a/Mammals/Q5YCV4/top.pdb b/Mammals/Q5YCV4/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9ca92cd42048dd48ebcef91cd449ae19985ca9bb --- /dev/null +++ b/Mammals/Q5YCV4/top.pdb @@ -0,0 +1,77 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 255.523 235.394 289.889 1.00 0.00 C +ATOM 2 CA ALA A 2 255.237 239.136 289.228 1.00 0.00 C +ATOM 3 CA GLU A 3 253.949 240.785 292.412 1.00 0.00 C +ATOM 4 CA PRO A 4 251.347 239.528 294.895 1.00 0.00 C +ATOM 5 CA ARG A 5 249.249 240.751 297.831 1.00 0.00 C +ATOM 6 CA GLN A 6 248.381 244.263 299.025 1.00 0.00 C +ATOM 7 CA GLU A 7 247.464 247.275 301.170 1.00 0.00 C +ATOM 8 CA PHE A 8 246.030 250.788 300.824 1.00 0.00 C +ATOM 9 CA ASP A 9 245.529 253.200 297.917 1.00 0.00 C +ATOM 10 CA VAL A 10 246.342 256.087 295.567 1.00 0.00 C +ATOM 11 CA MET A 11 249.635 255.972 293.653 1.00 0.00 C +ATOM 12 CA GLU A 12 248.833 253.990 290.500 1.00 0.00 C +ATOM 13 CA ASP A 13 252.165 253.697 288.676 1.00 0.00 C +ATOM 14 CA HIS A 14 251.264 254.033 284.989 1.00 0.00 C +ATOM 15 CA ALA A 15 249.287 253.146 281.855 1.00 0.00 C +ATOM 16 CA GLY A 16 246.572 251.011 280.247 1.00 0.00 C +ATOM 17 CA THR A 17 245.826 252.582 276.857 1.00 0.00 C +ATOM 18 CA TYR A 18 247.898 254.203 274.101 1.00 0.00 C +ATOM 19 CA GLY A 19 247.752 258.007 274.242 1.00 0.00 C +ATOM 20 CA LEU A 20 248.999 260.358 271.515 1.00 0.00 C +ATOM 21 CA GLY A 21 251.022 258.413 268.938 1.00 0.00 C +ATOM 22 CA ASP A 22 252.381 255.064 267.733 1.00 0.00 C +ATOM 23 CA ARG A 23 255.557 253.051 268.345 1.00 0.00 C +ATOM 24 CA LYS A 24 256.272 250.398 270.986 1.00 0.00 C +ATOM 25 CA ASP A 25 256.735 246.645 270.523 1.00 0.00 C +ATOM 26 CA GLN A 26 255.542 243.168 269.520 1.00 0.00 C +ATOM 27 CA GLU A 27 256.707 240.197 267.439 1.00 0.00 C +ATOM 28 CA GLY A 28 259.182 241.302 264.761 1.00 0.00 C +ATOM 29 CA TYR A 29 261.060 244.605 265.032 1.00 0.00 C +ATOM 30 CA THR A 30 261.551 248.006 266.678 1.00 0.00 C +ATOM 31 CA MET A 31 260.521 251.000 264.558 1.00 0.00 C +ATOM 32 CA LEU A 32 259.839 253.036 261.411 1.00 0.00 C +ATOM 33 CA GLN A 33 263.182 253.567 259.664 1.00 0.00 C +ATOM 34 CA ASP A 34 265.424 253.204 256.605 1.00 0.00 C +ATOM 35 CA GLN A 35 265.171 253.482 252.813 1.00 0.00 C +ATOM 36 CA GLU A 36 263.519 253.459 249.380 1.00 0.00 C +ATOM 37 CA GLY A 37 264.577 253.827 245.738 1.00 0.00 C +ATOM 38 CA ASP A 38 264.263 250.332 244.253 1.00 0.00 C +ATOM 39 CA THR A 39 260.912 248.954 243.076 1.00 0.00 C +ATOM 40 CA ASP A 40 259.418 245.978 241.224 1.00 0.00 C +ATOM 41 CA ALA A 41 260.068 242.970 238.979 1.00 0.00 C +ATOM 42 CA GLY A 42 261.061 242.871 235.302 1.00 0.00 C +ATOM 43 CA LEU A 43 258.837 241.873 232.374 1.00 0.00 C +ATOM 44 CA LYS A 44 258.064 242.187 228.657 1.00 0.00 C +ATOM 45 CA GLU A 45 258.243 244.720 225.817 1.00 0.00 C +ATOM 46 CA SER A 46 256.229 247.295 223.859 1.00 0.00 C +ATOM 47 CA PRO A 47 253.299 248.736 225.821 1.00 0.00 C +ATOM 48 CA LEU A 48 252.720 246.738 229.013 1.00 0.00 C +ATOM 49 CA GLN A 49 251.371 245.543 232.370 1.00 0.00 C +ATOM 50 CA THR A 50 249.730 242.106 232.247 1.00 0.00 C +ATOM 51 CA PRO A 51 246.725 241.358 230.028 1.00 0.00 C +ATOM 52 CA ALA A 52 246.685 241.738 226.237 1.00 0.00 C +ATOM 53 CA GLU A 53 243.238 240.513 225.176 1.00 0.00 C +ATOM 54 CA ASP A 54 240.707 242.381 227.326 1.00 0.00 C +ATOM 55 CA GLY A 55 239.845 245.809 225.904 1.00 0.00 C +ATOM 56 CA SER A 56 238.188 249.184 225.284 1.00 0.00 C +ATOM 57 CA GLU A 57 237.948 252.312 223.122 1.00 0.00 C +ATOM 58 CA GLU A 58 236.376 255.598 224.239 1.00 0.00 C +ATOM 59 CA LEU A 59 237.260 258.589 222.051 1.00 0.00 C +ATOM 60 CA GLY A 60 240.776 259.799 222.884 1.00 0.00 C +ATOM 61 CA SER A 61 242.921 260.385 219.790 1.00 0.00 C +ATOM 62 CA GLU A 62 241.426 260.588 216.292 1.00 0.00 C +ATOM 63 CA THR A 63 237.842 261.858 216.044 1.00 0.00 C +ATOM 64 CA SER A 64 235.259 260.484 213.604 1.00 0.00 C +ATOM 65 CA ASP A 65 236.332 259.020 210.254 1.00 0.00 C +ATOM 66 CA ALA A 66 239.982 257.927 210.269 1.00 0.00 C +ATOM 67 CA LYS A 67 240.796 255.094 212.683 1.00 0.00 C +ATOM 68 CA SER A 68 239.436 251.568 212.202 1.00 0.00 C +ATOM 69 CA THR A 69 239.216 250.034 208.722 1.00 0.00 C +ATOM 70 CA PRO A 70 238.520 250.642 205.026 1.00 0.00 C +ATOM 71 CA THR A 71 237.329 252.060 201.696 1.00 0.00 C +ATOM 72 CA ALA A 72 237.111 252.045 197.892 1.00 0.00 C +ATOM 73 CA GLU A 73 236.341 254.079 194.765 1.00 0.00 C +TER 74 GLU A 73 +END diff --git a/Mammals/Q5YCV8/Q5YCV8.dcd b/Mammals/Q5YCV8/Q5YCV8.dcd new file mode 100644 index 0000000000000000000000000000000000000000..af0ec3dabd04eda92e75baee4d516470e3881b46 --- /dev/null +++ b/Mammals/Q5YCV8/Q5YCV8.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fef53d22739f56a6d42ca1ff12a3848ff011fc78a27f7aa9a6eac9dcb3281b82 +size 7640276 diff --git a/Mammals/Q5YCV8/top.pdb b/Mammals/Q5YCV8/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0b67033835cee9344694ca460ccbbff6a4d564eb --- /dev/null +++ b/Mammals/Q5YCV8/top.pdb @@ -0,0 +1,61 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA SER A 1 257.759 268.058 272.964 1.00 0.00 C +ATOM 2 CA PRO A 2 258.770 267.318 269.366 1.00 0.00 C +ATOM 3 CA LEU A 3 255.556 266.206 267.647 1.00 0.00 C +ATOM 4 CA GLN A 4 253.095 263.644 269.024 1.00 0.00 C +ATOM 5 CA THR A 5 253.842 259.908 268.945 1.00 0.00 C +ATOM 6 CA PRO A 6 256.610 257.347 269.487 1.00 0.00 C +ATOM 7 CA ALA A 7 260.001 259.047 269.849 1.00 0.00 C +ATOM 8 CA GLU A 8 262.391 256.511 271.391 1.00 0.00 C +ATOM 9 CA ASP A 9 266.083 255.889 270.688 1.00 0.00 C +ATOM 10 CA GLY A 10 268.833 255.006 268.203 1.00 0.00 C +ATOM 11 CA SER A 11 270.687 253.097 265.476 1.00 0.00 C +ATOM 12 CA GLU A 12 273.031 250.732 263.624 1.00 0.00 C +ATOM 13 CA GLU A 13 272.752 250.072 259.882 1.00 0.00 C +ATOM 14 CA LEU A 14 270.426 251.490 257.219 1.00 0.00 C +ATOM 15 CA GLY A 15 270.413 252.120 253.461 1.00 0.00 C +ATOM 16 CA SER A 16 269.310 252.225 249.816 1.00 0.00 C +ATOM 17 CA GLU A 17 265.636 252.067 248.818 1.00 0.00 C +ATOM 18 CA THR A 18 262.751 250.356 250.624 1.00 0.00 C +ATOM 19 CA SER A 19 259.773 248.172 249.686 1.00 0.00 C +ATOM 20 CA ASP A 20 258.364 245.842 247.022 1.00 0.00 C +ATOM 21 CA ALA A 21 258.060 244.487 243.474 1.00 0.00 C +ATOM 22 CA LYS A 22 256.938 240.961 242.568 1.00 0.00 C +ATOM 23 CA SER A 23 257.263 239.928 238.915 1.00 0.00 C +ATOM 24 CA THR A 24 254.936 239.072 236.022 1.00 0.00 C +ATOM 25 CA PRO A 25 254.591 237.086 232.789 1.00 0.00 C +ATOM 26 CA THR A 26 257.851 237.270 230.825 1.00 0.00 C +ATOM 27 CA ALA A 27 260.571 239.930 230.618 1.00 0.00 C +ATOM 28 CA GLU A 28 261.231 242.013 233.739 1.00 0.00 C +ATOM 29 CA ASP A 29 262.810 242.142 237.204 1.00 0.00 C +ATOM 30 CA VAL A 30 264.367 245.361 238.519 1.00 0.00 C +ATOM 31 CA THR A 31 263.034 248.145 236.285 1.00 0.00 C +ATOM 32 CA ALA A 32 260.229 250.032 234.527 1.00 0.00 C +ATOM 33 CA PRO A 33 256.568 249.695 235.526 1.00 0.00 C +ATOM 34 CA LEU A 34 253.395 247.730 236.291 1.00 0.00 C +ATOM 35 CA VAL A 35 249.753 248.554 235.532 1.00 0.00 C +ATOM 36 CA ASP A 36 247.343 250.504 237.747 1.00 0.00 C +ATOM 37 CA GLU A 37 247.570 254.123 238.917 1.00 0.00 C +ATOM 38 CA ARG A 38 244.400 255.717 240.306 1.00 0.00 C +ATOM 39 CA ALA A 39 240.782 256.518 241.192 1.00 0.00 C +ATOM 40 CA PRO A 40 238.288 258.622 239.226 1.00 0.00 C +ATOM 41 CA GLY A 41 234.700 258.635 240.507 1.00 0.00 C +ATOM 42 CA GLU A 42 233.724 255.172 241.760 1.00 0.00 C +ATOM 43 CA GLN A 43 234.191 251.805 240.038 1.00 0.00 C +ATOM 44 CA ALA A 44 230.849 249.978 240.146 1.00 0.00 C +ATOM 45 CA ALA A 45 227.888 249.758 242.533 1.00 0.00 C +ATOM 46 CA ALA A 46 224.902 250.140 244.869 1.00 0.00 C +ATOM 47 CA GLN A 47 225.217 252.554 247.800 1.00 0.00 C +ATOM 48 CA PRO A 48 223.789 253.193 251.274 1.00 0.00 C +ATOM 49 CA HIS A 49 222.223 252.860 254.731 1.00 0.00 C +ATOM 50 CA MET A 50 222.662 251.016 258.036 1.00 0.00 C +ATOM 51 CA GLU A 51 223.324 247.348 257.247 1.00 0.00 C +ATOM 52 CA ILE A 52 226.236 244.903 257.481 1.00 0.00 C +ATOM 53 CA PRO A 53 229.237 243.004 256.101 1.00 0.00 C +ATOM 54 CA GLU A 54 230.780 239.722 254.933 1.00 0.00 C +ATOM 55 CA GLY A 55 232.378 237.583 257.650 1.00 0.00 C +ATOM 56 CA THR A 56 234.332 235.097 259.776 1.00 0.00 C +ATOM 57 CA THR A 57 237.504 234.235 261.704 1.00 0.00 C +TER 58 THR A 57 +END diff --git a/Mammals/Q5YLN5/Q5YLN5.dcd b/Mammals/Q5YLN5/Q5YLN5.dcd new file mode 100644 index 0000000000000000000000000000000000000000..350b584518c25a83682b5bd42bd6b27e9f67d598 --- /dev/null +++ b/Mammals/Q5YLN5/Q5YLN5.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1f93c91958ac8a28c51dbb4fc79bc49cf7b5141b6b30b283c0b312ad543ad2ee +size 13640276 diff --git a/Mammals/Q5YLN5/top.pdb b/Mammals/Q5YLN5/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2660beddcd2a4ba3b6b49af968c0955a5c426c95 --- /dev/null +++ b/Mammals/Q5YLN5/top.pdb @@ -0,0 +1,111 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLY A 1 290.110 298.970 264.679 1.00 0.00 C +ATOM 2 CA LEU A 2 289.000 302.604 264.954 1.00 0.00 C +ATOM 3 CA LEU A 3 286.298 303.470 267.497 1.00 0.00 C +ATOM 4 CA GLN A 4 283.500 300.907 267.837 1.00 0.00 C +ATOM 5 CA ARG A 5 279.732 300.346 267.760 1.00 0.00 C +ATOM 6 CA PRO A 6 278.432 297.540 269.985 1.00 0.00 C +ATOM 7 CA PRO A 7 279.689 294.506 271.917 1.00 0.00 C +ATOM 8 CA LYS A 8 281.935 294.666 274.990 1.00 0.00 C +ATOM 9 CA PRO A 9 282.082 298.062 276.712 1.00 0.00 C +ATOM 10 CA THR A 10 285.720 298.745 277.614 1.00 0.00 C +ATOM 11 CA ALA A 11 288.261 296.314 279.080 1.00 0.00 C +ATOM 12 CA LEU A 12 291.116 293.873 278.442 1.00 0.00 C +ATOM 13 CA ALA A 13 289.816 290.301 278.187 1.00 0.00 C +ATOM 14 CA ALA A 14 288.537 286.725 278.487 1.00 0.00 C +ATOM 15 CA HIS A 15 288.196 283.035 279.373 1.00 0.00 C +ATOM 16 CA GLY A 16 285.504 281.323 277.291 1.00 0.00 C +ATOM 17 CA GLN A 17 281.914 282.592 277.429 1.00 0.00 C +ATOM 18 CA LEU A 18 278.849 281.085 279.117 1.00 0.00 C +ATOM 19 CA PRO A 19 276.647 281.841 282.133 1.00 0.00 C +ATOM 20 CA GLY A 20 276.177 278.788 284.363 1.00 0.00 C +ATOM 21 CA CYS A 21 276.188 275.835 281.954 1.00 0.00 C +ATOM 22 CA MET A 22 276.977 272.696 279.944 1.00 0.00 C +ATOM 23 CA ALA A 23 276.641 270.956 276.571 1.00 0.00 C +ATOM 24 CA THR A 24 275.430 268.016 274.472 1.00 0.00 C +ATOM 25 CA SER A 25 272.146 266.460 275.616 1.00 0.00 C +ATOM 26 CA SER A 26 271.201 263.974 272.888 1.00 0.00 C +ATOM 27 CA SER A 27 268.512 262.571 270.582 1.00 0.00 C +ATOM 28 CA PRO A 28 269.767 259.196 269.336 1.00 0.00 C +ATOM 29 CA PRO A 29 269.838 259.218 265.527 1.00 0.00 C +ATOM 30 CA PRO A 30 268.364 257.727 262.345 1.00 0.00 C +ATOM 31 CA PRO A 31 265.617 255.087 262.278 1.00 0.00 C +ATOM 32 CA GLU A 32 262.678 256.374 264.333 1.00 0.00 C +ATOM 33 CA SER A 33 259.577 257.035 266.445 1.00 0.00 C +ATOM 34 CA GLN A 34 257.251 259.236 264.382 1.00 0.00 C +ATOM 35 CA LYS A 35 253.593 258.568 265.211 1.00 0.00 C +ATOM 36 CA VAL A 36 250.853 260.244 263.161 1.00 0.00 C +ATOM 37 CA PRO A 37 249.473 259.343 259.726 1.00 0.00 C +ATOM 38 CA PRO A 38 246.766 256.731 260.335 1.00 0.00 C +ATOM 39 CA ALA A 39 245.541 253.141 259.986 1.00 0.00 C +ATOM 40 CA ARG A 40 246.707 252.011 256.539 1.00 0.00 C +ATOM 41 CA LYS A 41 248.264 250.912 253.240 1.00 0.00 C +ATOM 42 CA GLU A 42 250.823 250.113 250.533 1.00 0.00 C +ATOM 43 CA THR A 43 252.787 253.239 249.591 1.00 0.00 C +ATOM 44 CA ARG A 44 252.047 253.874 245.908 1.00 0.00 C +ATOM 45 CA PHE A 45 248.856 255.003 244.158 1.00 0.00 C +ATOM 46 CA GLU A 46 246.056 257.544 244.622 1.00 0.00 C +ATOM 47 CA GLU A 47 242.878 258.102 246.648 1.00 0.00 C +ATOM 48 CA ASP A 48 243.492 259.928 249.935 1.00 0.00 C +ATOM 49 CA LYS A 49 243.599 259.145 253.662 1.00 0.00 C +ATOM 50 CA GLN A 50 241.181 257.370 256.011 1.00 0.00 C +ATOM 51 CA PRO A 51 238.329 255.443 257.645 1.00 0.00 C +ATOM 52 CA GLY A 52 236.263 253.969 260.486 1.00 0.00 C +ATOM 53 CA GLN A 53 234.779 251.186 262.624 1.00 0.00 C +ATOM 54 CA GLY A 54 236.305 248.044 264.146 1.00 0.00 C +ATOM 55 CA THR A 55 239.983 247.853 263.170 1.00 0.00 C +ATOM 56 CA PRO A 56 240.708 247.846 259.429 1.00 0.00 C +ATOM 57 CA GLY A 57 240.329 247.892 255.638 1.00 0.00 C +ATOM 58 CA ASP A 58 239.632 246.538 252.146 1.00 0.00 C +ATOM 59 CA THR A 59 241.242 245.283 248.929 1.00 0.00 C +ATOM 60 CA GLU A 60 243.009 241.968 249.565 1.00 0.00 C +ATOM 61 CA PRO A 61 245.007 239.056 250.995 1.00 0.00 C +ATOM 62 CA VAL A 62 245.571 236.547 248.183 1.00 0.00 C +ATOM 63 CA CYS A 63 244.219 234.911 245.020 1.00 0.00 C +ATOM 64 CA VAL A 64 246.187 233.922 241.911 1.00 0.00 C +ATOM 65 CA PRO A 65 249.690 235.290 241.296 1.00 0.00 C +ATOM 66 CA ILE A 66 251.335 238.725 241.204 1.00 0.00 C +ATOM 67 CA ALA A 67 251.109 242.243 242.648 1.00 0.00 C +ATOM 68 CA MET A 68 250.371 245.268 240.451 1.00 0.00 C +ATOM 69 CA ALA A 69 250.387 249.073 240.649 1.00 0.00 C +ATOM 70 CA GLU A 70 250.210 250.298 237.045 1.00 0.00 C +ATOM 71 CA SER A 71 251.922 248.751 234.013 1.00 0.00 C +ATOM 72 CA ASP A 72 252.606 245.879 231.605 1.00 0.00 C +ATOM 73 CA THR A 73 249.463 244.042 230.480 1.00 0.00 C +ATOM 74 CA ASP A 74 249.222 240.885 232.600 1.00 0.00 C +ATOM 75 CA ASP A 75 250.272 237.270 232.015 1.00 0.00 C +ATOM 76 CA GLN A 76 248.206 234.086 231.681 1.00 0.00 C +ATOM 77 CA GLU A 77 246.361 233.536 228.394 1.00 0.00 C +ATOM 78 CA GLU A 78 244.358 230.356 227.767 1.00 0.00 C +ATOM 79 CA ASP A 79 243.545 228.788 231.143 1.00 0.00 C +ATOM 80 CA GLU A 80 241.001 226.058 231.913 1.00 0.00 C +ATOM 81 CA GLU A 81 241.173 222.452 230.697 1.00 0.00 C +ATOM 82 CA ASN A 82 242.248 220.273 227.762 1.00 0.00 C +ATOM 83 CA SER A 83 241.880 217.601 225.071 1.00 0.00 C +ATOM 84 CA LEU A 84 240.510 218.680 221.683 1.00 0.00 C +ATOM 85 CA GLY A 85 238.777 221.369 219.613 1.00 0.00 C +ATOM 86 CA THR A 86 235.167 222.582 219.526 1.00 0.00 C +ATOM 87 CA GLU A 87 232.160 224.792 218.756 1.00 0.00 C +ATOM 88 CA GLU A 88 229.119 227.028 219.278 1.00 0.00 C +ATOM 89 CA GLU A 89 226.244 224.784 220.379 1.00 0.00 C +ATOM 90 CA SER A 90 223.097 223.005 219.173 1.00 0.00 C +ATOM 91 CA SER A 91 219.647 221.680 220.099 1.00 0.00 C +ATOM 92 CA LYS A 92 217.920 218.445 221.132 1.00 0.00 C +ATOM 93 CA GLN A 93 218.123 215.678 218.521 1.00 0.00 C +ATOM 94 CA ALA A 94 217.834 212.095 219.785 1.00 0.00 C +ATOM 95 CA PRO A 95 219.421 208.948 221.232 1.00 0.00 C +ATOM 96 CA GLU A 96 220.080 206.035 223.598 1.00 0.00 C +ATOM 97 CA ASP A 97 219.913 206.089 227.403 1.00 0.00 C +ATOM 98 CA SER A 98 216.588 207.402 228.722 1.00 0.00 C +ATOM 99 CA TYR A 99 213.166 208.273 227.292 1.00 0.00 C +ATOM 100 CA SER A 100 209.912 209.745 225.964 1.00 0.00 C +ATOM 101 CA GLU A 101 207.846 211.337 228.742 1.00 0.00 C +ATOM 102 CA GLY A 102 206.242 213.991 230.955 1.00 0.00 C +ATOM 103 CA SER A 103 206.201 217.708 231.793 1.00 0.00 C +ATOM 104 CA THR A 104 207.248 221.367 231.956 1.00 0.00 C +ATOM 105 CA ALA A 105 209.647 222.295 234.768 1.00 0.00 C +ATOM 106 CA ASP A 106 211.759 219.909 236.857 1.00 0.00 C +ATOM 107 CA MET A 107 211.843 220.089 240.662 1.00 0.00 C +TER 108 MET A 107 +END diff --git a/Mammals/Q5YLN7/Q5YLN7.dcd b/Mammals/Q5YLN7/Q5YLN7.dcd new file mode 100644 index 0000000000000000000000000000000000000000..de1686f8e3b61ac296c58e88056ccee6bbff3d73 --- /dev/null +++ b/Mammals/Q5YLN7/Q5YLN7.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a4ecb20abbd6109aef0e4d65e2e9856bc06312546ac7d5dce17e4650229944d6 +size 19880276 diff --git a/Mammals/Q5YLN7/top.pdb b/Mammals/Q5YLN7/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..99349530ffb98aedb2400ae9e28c708bc53db065 --- /dev/null +++ b/Mammals/Q5YLN7/top.pdb @@ -0,0 +1,163 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLY A 1 254.337 189.171 287.077 1.00 0.00 C +ATOM 2 CA LEU A 2 257.120 191.389 288.438 1.00 0.00 C +ATOM 3 CA LEU A 3 256.089 192.714 291.858 1.00 0.00 C +ATOM 4 CA GLN A 4 256.204 196.448 292.609 1.00 0.00 C +ATOM 5 CA ARG A 5 256.943 198.849 295.473 1.00 0.00 C +ATOM 6 CA PRO A 6 257.170 200.326 298.978 1.00 0.00 C +ATOM 7 CA PRO A 7 256.867 204.124 298.964 1.00 0.00 C +ATOM 8 CA LYS A 8 260.328 205.651 299.420 1.00 0.00 C +ATOM 9 CA PRO A 9 263.453 207.772 298.918 1.00 0.00 C +ATOM 10 CA THR A 10 264.483 209.560 295.715 1.00 0.00 C +ATOM 11 CA ALA A 11 265.210 210.285 292.046 1.00 0.00 C +ATOM 12 CA LEU A 12 263.850 207.424 289.929 1.00 0.00 C +ATOM 13 CA ALA A 13 262.106 209.120 286.997 1.00 0.00 C +ATOM 14 CA ALA A 14 259.502 210.068 284.382 1.00 0.00 C +ATOM 15 CA HIS A 15 256.856 211.958 282.396 1.00 0.00 C +ATOM 16 CA GLY A 16 256.683 214.742 279.800 1.00 0.00 C +ATOM 17 CA GLN A 17 254.854 217.974 278.950 1.00 0.00 C +ATOM 18 CA LEU A 18 251.488 219.069 280.359 1.00 0.00 C +ATOM 19 CA PRO A 19 250.961 216.872 283.427 1.00 0.00 C +ATOM 20 CA GLY A 20 248.527 215.078 285.743 1.00 0.00 C +ATOM 21 CA CYS A 21 249.864 215.603 289.272 1.00 0.00 C +ATOM 22 CA MET A 22 249.037 217.661 292.369 1.00 0.00 C +ATOM 23 CA ALA A 23 252.387 218.858 293.734 1.00 0.00 C +ATOM 24 CA THR A 24 252.203 222.664 293.734 1.00 0.00 C +ATOM 25 CA SER A 25 255.213 224.982 293.452 1.00 0.00 C +ATOM 26 CA SER A 26 257.905 226.956 295.290 1.00 0.00 C +ATOM 27 CA SER A 27 260.631 224.506 296.329 1.00 0.00 C +ATOM 28 CA PRO A 28 260.858 224.238 300.123 1.00 0.00 C +ATOM 29 CA PRO A 29 259.683 227.011 302.458 1.00 0.00 C +ATOM 30 CA PRO A 30 258.007 230.209 301.243 1.00 0.00 C +ATOM 31 CA PRO A 31 254.609 231.765 301.984 1.00 0.00 C +ATOM 32 CA GLU A 32 252.197 233.681 299.742 1.00 0.00 C +ATOM 33 CA SER A 33 252.690 237.444 299.409 1.00 0.00 C +ATOM 34 CA GLN A 34 250.953 240.835 299.468 1.00 0.00 C +ATOM 35 CA LYS A 35 247.280 241.841 299.574 1.00 0.00 C +ATOM 36 CA VAL A 36 244.197 240.336 301.232 1.00 0.00 C +ATOM 37 CA PRO A 37 242.303 240.489 304.534 1.00 0.00 C +ATOM 38 CA PRO A 38 244.571 242.427 306.905 1.00 0.00 C +ATOM 39 CA ALA A 39 247.081 245.185 307.682 1.00 0.00 C +ATOM 40 CA ARG A 40 249.005 247.792 305.678 1.00 0.00 C +ATOM 41 CA LYS A 41 246.499 250.009 303.854 1.00 0.00 C +ATOM 42 CA GLU A 42 247.396 252.895 301.534 1.00 0.00 C +ATOM 43 CA THR A 43 245.634 253.549 298.220 1.00 0.00 C +ATOM 44 CA ARG A 44 241.878 253.851 297.658 1.00 0.00 C +ATOM 45 CA PHE A 45 238.690 253.602 295.587 1.00 0.00 C +ATOM 46 CA GLU A 46 237.999 255.013 292.115 1.00 0.00 C +ATOM 47 CA GLU A 47 239.186 258.630 291.943 1.00 0.00 C +ATOM 48 CA ASP A 48 241.230 258.832 288.734 1.00 0.00 C +ATOM 49 CA LYS A 49 243.523 256.462 286.825 1.00 0.00 C +ATOM 50 CA GLN A 50 242.832 255.660 283.165 1.00 0.00 C +ATOM 51 CA PRO A 51 240.695 252.628 282.294 1.00 0.00 C +ATOM 52 CA GLY A 52 242.216 250.998 279.205 1.00 0.00 C +ATOM 53 CA GLN A 53 242.222 247.216 279.670 1.00 0.00 C +ATOM 54 CA GLY A 54 241.710 244.480 277.068 1.00 0.00 C +ATOM 55 CA THR A 55 243.434 245.647 273.877 1.00 0.00 C +ATOM 56 CA PRO A 56 245.329 244.325 270.848 1.00 0.00 C +ATOM 57 CA GLY A 57 248.725 242.598 270.844 1.00 0.00 C +ATOM 58 CA ASP A 58 252.323 243.836 270.661 1.00 0.00 C +ATOM 59 CA THR A 59 255.033 242.764 268.207 1.00 0.00 C +ATOM 60 CA GLU A 60 253.866 240.856 265.123 1.00 0.00 C +ATOM 61 CA PRO A 61 250.507 242.034 263.765 1.00 0.00 C +ATOM 62 CA VAL A 62 248.285 241.744 260.684 1.00 0.00 C +ATOM 63 CA CYS A 63 247.716 238.686 258.484 1.00 0.00 C +ATOM 64 CA VAL A 64 247.513 234.908 258.935 1.00 0.00 C +ATOM 65 CA PRO A 65 246.665 232.308 261.587 1.00 0.00 C +ATOM 66 CA ILE A 66 246.407 229.655 264.309 1.00 0.00 C +ATOM 67 CA ALA A 67 248.092 226.424 263.195 1.00 0.00 C +ATOM 68 CA MET A 68 250.010 224.019 260.948 1.00 0.00 C +ATOM 69 CA ALA A 69 252.300 221.821 258.839 1.00 0.00 C +ATOM 70 CA GLU A 70 253.877 218.357 259.000 1.00 0.00 C +ATOM 71 CA SER A 71 254.964 214.854 260.032 1.00 0.00 C +ATOM 72 CA ASP A 72 255.571 211.105 260.331 1.00 0.00 C +ATOM 73 CA THR A 73 257.956 209.257 258.004 1.00 0.00 C +ATOM 74 CA ASP A 74 257.887 205.518 258.731 1.00 0.00 C +ATOM 75 CA ASP A 75 257.487 201.729 258.778 1.00 0.00 C +ATOM 76 CA GLN A 76 258.486 200.531 255.302 1.00 0.00 C +ATOM 77 CA GLU A 77 259.679 200.429 251.685 1.00 0.00 C +ATOM 78 CA GLU A 78 263.331 199.951 250.711 1.00 0.00 C +ATOM 79 CA ASP A 79 265.302 202.389 248.545 1.00 0.00 C +ATOM 80 CA GLU A 80 264.898 204.155 245.194 1.00 0.00 C +ATOM 81 CA GLU A 81 263.706 207.691 245.964 1.00 0.00 C +ATOM 82 CA ASN A 82 262.164 207.786 249.447 1.00 0.00 C +ATOM 83 CA SER A 83 258.543 208.544 250.358 1.00 0.00 C +ATOM 84 CA LEU A 84 257.268 212.104 249.891 1.00 0.00 C +ATOM 85 CA GLY A 85 258.115 214.922 247.471 1.00 0.00 C +ATOM 86 CA THR A 86 255.837 217.973 247.624 1.00 0.00 C +ATOM 87 CA GLU A 87 252.480 219.667 248.237 1.00 0.00 C +ATOM 88 CA GLU A 88 252.022 222.941 250.131 1.00 0.00 C +ATOM 89 CA GLU A 89 250.232 226.228 250.845 1.00 0.00 C +ATOM 90 CA SER A 90 247.936 228.071 248.427 1.00 0.00 C +ATOM 91 CA SER A 91 245.525 230.592 246.895 1.00 0.00 C +ATOM 92 CA LYS A 92 245.144 230.328 243.113 1.00 0.00 C +ATOM 93 CA GLN A 93 242.563 231.695 240.667 1.00 0.00 C +ATOM 94 CA GLN A 94 241.060 233.786 237.859 1.00 0.00 C +ATOM 95 CA GLU A 95 242.402 236.536 235.590 1.00 0.00 C +ATOM 96 CA SER A 96 243.674 237.349 232.092 1.00 0.00 C +ATOM 97 CA GLN A 97 243.552 240.096 229.455 1.00 0.00 C +ATOM 98 CA PRO A 98 245.269 242.064 226.681 1.00 0.00 C +ATOM 99 CA VAL A 99 248.554 243.804 225.846 1.00 0.00 C +ATOM 100 CA SER A 100 248.228 245.673 222.542 1.00 0.00 C +ATOM 101 CA GLY A 101 247.289 249.267 221.697 1.00 0.00 C +ATOM 102 CA SER A 102 245.847 252.279 219.862 1.00 0.00 C +ATOM 103 CA PRO A 103 244.247 255.243 218.081 1.00 0.00 C +ATOM 104 CA GLU A 104 245.266 258.347 220.040 1.00 0.00 C +ATOM 105 CA ALA A 105 247.484 260.817 218.170 1.00 0.00 C +ATOM 106 CA VAL A 106 251.130 261.835 218.600 1.00 0.00 C +ATOM 107 CA PRO A 107 252.550 265.370 218.601 1.00 0.00 C +ATOM 108 CA GLU A 108 251.344 268.407 216.642 1.00 0.00 C +ATOM 109 CA ARG A 109 252.220 271.744 215.024 1.00 0.00 C +ATOM 110 CA GLY A 110 255.074 273.871 213.668 1.00 0.00 C +ATOM 111 CA ALA A 111 258.162 272.194 212.196 1.00 0.00 C +ATOM 112 CA TRP A 112 257.610 271.185 208.564 1.00 0.00 C +ATOM 113 CA SER A 113 257.342 268.094 206.352 1.00 0.00 C +ATOM 114 CA GLN A 114 254.212 268.601 204.240 1.00 0.00 C +ATOM 115 CA VAL A 115 250.996 268.017 206.199 1.00 0.00 C +ATOM 116 CA SER A 116 250.368 266.998 209.816 1.00 0.00 C +ATOM 117 CA GLU A 117 246.871 267.257 211.305 1.00 0.00 C +ATOM 118 CA THR A 118 245.128 264.880 213.720 1.00 0.00 C +ATOM 119 CA ALA A 119 241.632 263.754 212.710 1.00 0.00 C +ATOM 120 CA SER A 120 240.390 266.404 210.270 1.00 0.00 C +ATOM 121 CA SER A 121 240.057 270.189 210.542 1.00 0.00 C +ATOM 122 CA GLU A 122 241.901 271.614 213.557 1.00 0.00 C +ATOM 123 CA ALA A 123 240.255 273.338 216.529 1.00 0.00 C +ATOM 124 CA SER A 124 236.884 273.149 218.295 1.00 0.00 C +ATOM 125 CA VAL A 125 235.338 276.605 217.870 1.00 0.00 C +ATOM 126 CA ALA A 126 232.854 277.069 220.722 1.00 0.00 C +ATOM 127 CA GLN A 127 234.952 277.907 223.790 1.00 0.00 C +ATOM 128 CA ALA A 128 237.734 280.344 222.874 1.00 0.00 C +ATOM 129 CA ASP A 129 240.123 281.630 220.199 1.00 0.00 C +ATOM 130 CA TRP A 130 240.401 281.813 216.404 1.00 0.00 C +ATOM 131 CA ARG A 131 238.516 283.577 213.602 1.00 0.00 C +ATOM 132 CA GLN A 132 239.076 287.320 213.160 1.00 0.00 C +ATOM 133 CA GLN A 133 241.803 288.955 211.061 1.00 0.00 C +ATOM 134 CA ARG A 134 243.421 292.089 212.502 1.00 0.00 C +ATOM 135 CA LYS A 135 246.496 294.139 213.428 1.00 0.00 C +ATOM 136 CA VAL A 136 249.776 292.262 212.952 1.00 0.00 C +ATOM 137 CA GLU A 137 251.909 294.081 210.372 1.00 0.00 C +ATOM 138 CA PRO A 138 254.229 295.596 207.757 1.00 0.00 C +ATOM 139 CA PRO A 139 255.457 297.981 205.052 1.00 0.00 C +ATOM 140 CA ALA A 140 257.267 301.332 205.160 1.00 0.00 C +ATOM 141 CA PRO A 141 255.456 304.290 203.584 1.00 0.00 C +ATOM 142 CA GLY A 142 252.974 306.915 202.374 1.00 0.00 C +ATOM 143 CA CYS A 143 251.271 309.255 204.853 1.00 0.00 C +ATOM 144 CA SER A 144 251.905 311.034 208.161 1.00 0.00 C +ATOM 145 CA GLU A 145 250.368 314.488 208.634 1.00 0.00 C +ATOM 146 CA ALA A 146 251.262 316.520 205.538 1.00 0.00 C +ATOM 147 CA PRO A 147 254.350 315.704 203.461 1.00 0.00 C +ATOM 148 CA GLU A 148 255.999 318.696 201.775 1.00 0.00 C +ATOM 149 CA ASP A 149 254.727 319.239 198.225 1.00 0.00 C +ATOM 150 CA SER A 150 251.967 321.865 198.256 1.00 0.00 C +ATOM 151 CA TYR A 151 250.537 325.206 197.111 1.00 0.00 C +ATOM 152 CA SER A 152 247.642 327.624 196.573 1.00 0.00 C +ATOM 153 CA GLU A 153 248.511 329.944 193.678 1.00 0.00 C +ATOM 154 CA GLY A 154 245.226 330.712 191.908 1.00 0.00 C +ATOM 155 CA SER A 155 242.966 327.797 190.956 1.00 0.00 C +ATOM 156 CA THR A 156 241.415 326.334 187.798 1.00 0.00 C +ATOM 157 CA ALA A 157 238.865 327.899 185.439 1.00 0.00 C +ATOM 158 CA ASP A 158 237.259 331.336 185.090 1.00 0.00 C +ATOM 159 CA MET A 159 238.356 334.936 185.686 1.00 0.00 C +TER 160 MET A 159 +END diff --git a/Mammals/Q60500/Q60500.dcd b/Mammals/Q60500/Q60500.dcd new file mode 100644 index 0000000000000000000000000000000000000000..df44bf0ceeb4a157397f10a20665d8143aec791c --- /dev/null +++ b/Mammals/Q60500/Q60500.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cd9812010dfcdcc7cb609a9a149b2f067787c38e8641307acf6a5c47b64b07f6 +size 6080276 diff --git a/Mammals/Q60500/top.pdb b/Mammals/Q60500/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4bb030ff6f746cab4e8a689835871ff490456880 --- /dev/null +++ b/Mammals/Q60500/top.pdb @@ -0,0 +1,48 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 255.004 244.368 251.026 1.00 0.00 C +ATOM 2 CA VAL A 2 256.992 241.366 252.270 1.00 0.00 C +ATOM 3 CA LYS A 3 259.853 239.586 250.490 1.00 0.00 C +ATOM 4 CA LEU A 4 263.376 238.182 250.857 1.00 0.00 C +ATOM 5 CA ALA A 5 264.128 236.561 247.492 1.00 0.00 C +ATOM 6 CA LYS A 6 263.771 233.215 245.704 1.00 0.00 C +ATOM 7 CA ALA A 7 260.454 231.431 245.132 1.00 0.00 C +ATOM 8 CA GLY A 8 256.934 232.072 246.442 1.00 0.00 C +ATOM 9 CA LYS A 9 253.627 230.752 247.796 1.00 0.00 C +ATOM 10 CA THR A 10 251.261 229.496 245.086 1.00 0.00 C +ATOM 11 CA HIS A 11 247.654 230.133 246.133 1.00 0.00 C +ATOM 12 CA GLY A 12 245.471 233.236 245.780 1.00 0.00 C +ATOM 13 CA ASP A 13 246.156 236.076 243.334 1.00 0.00 C +ATOM 14 CA SER A 14 248.606 238.628 244.750 1.00 0.00 C +ATOM 15 CA LYS A 15 250.001 240.549 241.770 1.00 0.00 C +ATOM 16 CA LYS A 16 253.780 240.253 241.382 1.00 0.00 C +ATOM 17 CA MET A 17 256.686 237.854 240.816 1.00 0.00 C +ATOM 18 CA ALA A 18 259.707 239.677 242.254 1.00 0.00 C +ATOM 19 CA PRO A 19 261.394 242.065 239.811 1.00 0.00 C +ATOM 20 CA PRO A 20 261.154 245.318 237.843 1.00 0.00 C +ATOM 21 CA PRO A 21 259.824 248.806 238.607 1.00 0.00 C +ATOM 22 CA LYS A 22 258.250 250.795 241.449 1.00 0.00 C +ATOM 23 CA GLU A 23 256.959 251.207 245.010 1.00 0.00 C +ATOM 24 CA VAL A 24 258.979 252.558 247.944 1.00 0.00 C +ATOM 25 CA GLU A 25 258.770 252.268 251.738 1.00 0.00 C +ATOM 26 CA GLU A 26 257.987 254.826 254.450 1.00 0.00 C +ATOM 27 CA ASP A 27 255.377 257.454 255.345 1.00 0.00 C +ATOM 28 CA SER A 28 252.153 259.193 256.394 1.00 0.00 C +ATOM 29 CA GLU A 29 250.352 261.528 258.807 1.00 0.00 C +ATOM 30 CA ASP A 30 247.915 264.449 259.014 1.00 0.00 C +ATOM 31 CA GLU A 31 244.752 264.824 261.104 1.00 0.00 C +ATOM 32 CA GLU A 32 241.208 263.960 260.002 1.00 0.00 C +ATOM 33 CA MET A 33 238.722 261.187 259.200 1.00 0.00 C +ATOM 34 CA SER A 34 235.444 259.247 259.266 1.00 0.00 C +ATOM 35 CA GLU A 35 232.846 260.940 261.480 1.00 0.00 C +ATOM 36 CA ASP A 36 229.408 260.720 259.853 1.00 0.00 C +ATOM 37 CA GLU A 37 228.523 261.789 256.305 1.00 0.00 C +ATOM 38 CA GLU A 38 230.981 264.007 254.420 1.00 0.00 C +ATOM 39 CA ASP A 39 234.328 265.035 255.924 1.00 0.00 C +ATOM 40 CA ASP A 40 237.507 267.134 255.876 1.00 0.00 C +ATOM 41 CA SER A 41 240.465 266.988 253.480 1.00 0.00 C +ATOM 42 CA SER A 42 241.926 270.224 252.097 1.00 0.00 C +ATOM 43 CA GLY A 43 244.709 269.494 249.600 1.00 0.00 C +ATOM 44 CA GLU A 44 246.605 270.546 246.467 1.00 0.00 C +TER 45 GLU A 44 +END diff --git a/Mammals/Q60518/Q60518.dcd b/Mammals/Q60518/Q60518.dcd new file mode 100644 index 0000000000000000000000000000000000000000..11e66ece66cd11c4aaf84b2447368d4343bc1e8e --- /dev/null +++ b/Mammals/Q60518/Q60518.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d3a963cda9645dbe44b0754dd5378bb60fa829ac168d4d04f4aa67f3c00defaa +size 5360276 diff --git a/Mammals/Q60518/top.pdb b/Mammals/Q60518/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..12562471599a5772dbaaf22cd287480cc4204e60 --- /dev/null +++ b/Mammals/Q60518/top.pdb @@ -0,0 +1,42 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 279.659 249.706 264.836 1.00 0.00 C +ATOM 2 CA SER A 2 278.768 246.867 262.457 1.00 0.00 C +ATOM 3 CA THR A 3 276.251 244.059 261.915 1.00 0.00 C +ATOM 4 CA ARG A 4 272.551 243.830 261.036 1.00 0.00 C +ATOM 5 CA CYS A 5 268.898 244.429 261.940 1.00 0.00 C +ATOM 6 CA GLY A 6 267.529 247.655 260.446 1.00 0.00 C +ATOM 7 CA GLU A 7 265.806 248.269 257.104 1.00 0.00 C +ATOM 8 CA ALA A 8 263.970 245.088 256.092 1.00 0.00 C +ATOM 9 CA GLY A 9 260.460 245.395 254.640 1.00 0.00 C +ATOM 10 CA ARG A 10 257.660 244.161 256.909 1.00 0.00 C +ATOM 11 CA ALA A 11 254.328 242.340 256.590 1.00 0.00 C +ATOM 12 CA ARG A 12 250.596 241.688 256.991 1.00 0.00 C +ATOM 13 CA GLY A 13 247.444 242.684 258.886 1.00 0.00 C +ATOM 14 CA THR A 14 247.725 246.458 259.326 1.00 0.00 C +ATOM 15 CA GLN A 15 245.531 248.779 261.404 1.00 0.00 C +ATOM 16 CA PRO A 16 244.440 252.312 260.484 1.00 0.00 C +ATOM 17 CA HIS A 17 241.187 251.876 258.549 1.00 0.00 C +ATOM 18 CA ARG A 18 239.557 251.711 255.109 1.00 0.00 C +ATOM 19 CA GLY A 19 242.133 249.990 252.891 1.00 0.00 C +ATOM 20 CA TYR A 20 241.076 247.400 250.305 1.00 0.00 C +ATOM 21 CA ARG A 21 238.560 246.480 247.595 1.00 0.00 C +ATOM 22 CA ALA A 22 236.452 246.512 244.422 1.00 0.00 C +ATOM 23 CA GLN A 23 237.201 245.988 240.723 1.00 0.00 C +ATOM 24 CA ASN A 24 237.825 247.870 237.469 1.00 0.00 C +ATOM 25 CA GLN A 25 237.405 251.540 238.400 1.00 0.00 C +ATOM 26 CA PRO A 26 235.581 253.138 241.339 1.00 0.00 C +ATOM 27 CA TYR A 27 233.179 255.843 242.533 1.00 0.00 C +ATOM 28 CA LYS A 28 233.211 256.244 246.322 1.00 0.00 C +ATOM 29 CA MET A 29 236.229 256.322 248.646 1.00 0.00 C +ATOM 30 CA HIS A 30 238.919 253.639 248.943 1.00 0.00 C +ATOM 31 CA LEU A 31 241.827 254.439 246.615 1.00 0.00 C +ATOM 32 CA GLY A 32 244.432 254.125 243.853 1.00 0.00 C +ATOM 33 CA PRO A 33 246.140 255.836 240.908 1.00 0.00 C +ATOM 34 CA PRO A 34 247.371 254.633 237.509 1.00 0.00 C +ATOM 35 CA ARG A 35 249.414 255.914 234.559 1.00 0.00 C +ATOM 36 CA LEU A 36 252.469 258.092 233.899 1.00 0.00 C +ATOM 37 CA GLU A 37 253.906 257.878 230.377 1.00 0.00 C +ATOM 38 CA GLU A 38 254.311 260.808 227.976 1.00 0.00 C +TER 39 GLU A 38 +END diff --git a/Mammals/Q61246/Q61246.dcd b/Mammals/Q61246/Q61246.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b436311b0d65630cc0b2e0769bc592148541f7eb --- /dev/null +++ b/Mammals/Q61246/Q61246.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1899d4ceb8a9b4bfc9d170abbeae0a3c5b8912bff390a249a4b7b7509982b265 +size 23240276 diff --git a/Mammals/Q61246/top.pdb b/Mammals/Q61246/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..6db27fbb5235383a82dc940cebffdebf9f5fb2a1 --- /dev/null +++ b/Mammals/Q61246/top.pdb @@ -0,0 +1,191 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA TRP A 1 151.220 238.439 315.661 1.00 0.00 C +ATOM 2 CA PRO A 2 150.777 242.223 315.720 1.00 0.00 C +ATOM 3 CA LEU A 3 153.800 244.540 315.826 1.00 0.00 C +ATOM 4 CA THR A 4 153.053 247.129 318.519 1.00 0.00 C +ATOM 5 CA PRO A 5 154.623 249.083 321.389 1.00 0.00 C +ATOM 6 CA GLY A 6 153.227 249.799 324.861 1.00 0.00 C +ATOM 7 CA GLU A 7 155.486 250.026 327.921 1.00 0.00 C +ATOM 8 CA ARG A 8 159.168 250.891 328.381 1.00 0.00 C +ATOM 9 CA GLY A 9 159.386 254.608 327.576 1.00 0.00 C +ATOM 10 CA PRO A 10 161.217 257.926 327.179 1.00 0.00 C +ATOM 11 CA GLN A 11 163.119 259.205 324.135 1.00 0.00 C +ATOM 12 CA GLY A 12 166.321 257.467 323.021 1.00 0.00 C +ATOM 13 CA PRO A 13 168.643 254.855 321.505 1.00 0.00 C +ATOM 14 CA GLN A 14 167.671 251.934 319.260 1.00 0.00 C +ATOM 15 CA GLY A 15 170.059 248.967 319.132 1.00 0.00 C +ATOM 16 CA PRO A 16 173.095 247.716 317.200 1.00 0.00 C +ATOM 17 CA VAL A 17 175.948 245.469 316.048 1.00 0.00 C +ATOM 18 CA GLY A 18 179.114 247.576 315.820 1.00 0.00 C +ATOM 19 CA PHE A 19 181.183 248.928 318.720 1.00 0.00 C +ATOM 20 CA PRO A 20 181.484 251.030 321.884 1.00 0.00 C +ATOM 21 CA GLY A 21 180.612 250.225 325.504 1.00 0.00 C +ATOM 22 CA PRO A 22 179.975 253.506 327.335 1.00 0.00 C +ATOM 23 CA LYS A 23 180.858 255.654 330.355 1.00 0.00 C +ATOM 24 CA GLY A 24 180.593 256.811 333.976 1.00 0.00 C +ATOM 25 CA PRO A 25 180.201 255.226 337.418 1.00 0.00 C +ATOM 26 CA PRO A 26 181.614 251.755 338.106 1.00 0.00 C +ATOM 27 CA GLY A 27 182.113 248.037 337.440 1.00 0.00 C +ATOM 28 CA PRO A 28 180.125 247.028 334.351 1.00 0.00 C +ATOM 29 CA ALA A 29 180.476 243.349 333.424 1.00 0.00 C +ATOM 30 CA GLY A 30 179.310 242.195 329.986 1.00 0.00 C +ATOM 31 CA LYS A 31 176.754 242.897 327.249 1.00 0.00 C +ATOM 32 CA ASP A 32 177.972 242.893 323.639 1.00 0.00 C +ATOM 33 CA GLY A 33 181.129 241.350 322.167 1.00 0.00 C +ATOM 34 CA LEU A 34 182.288 242.444 318.707 1.00 0.00 C +ATOM 35 CA PRO A 35 185.945 243.479 318.435 1.00 0.00 C +ATOM 36 CA GLY A 36 189.264 244.861 319.695 1.00 0.00 C +ATOM 37 CA HIS A 37 192.466 245.721 317.818 1.00 0.00 C +ATOM 38 CA PRO A 38 194.802 246.797 315.007 1.00 0.00 C +ATOM 39 CA GLY A 39 195.744 249.432 312.422 1.00 0.00 C +ATOM 40 CA GLN A 40 196.637 249.629 308.723 1.00 0.00 C +ATOM 41 CA ARG A 41 195.011 248.018 305.677 1.00 0.00 C +ATOM 42 CA GLY A 42 191.926 248.546 303.505 1.00 0.00 C +ATOM 43 CA GLU A 43 192.788 248.144 299.816 1.00 0.00 C +ATOM 44 CA THR A 44 195.974 249.322 298.089 1.00 0.00 C +ATOM 45 CA GLY A 45 198.836 251.837 298.094 1.00 0.00 C +ATOM 46 CA PHE A 46 200.381 254.374 295.708 1.00 0.00 C +ATOM 47 CA GLN A 47 203.994 253.774 294.658 1.00 0.00 C +ATOM 48 CA GLY A 48 204.202 251.499 291.609 1.00 0.00 C +ATOM 49 CA LYS A 49 207.849 251.152 290.561 1.00 0.00 C +ATOM 50 CA THR A 50 210.660 249.552 288.548 1.00 0.00 C +ATOM 51 CA GLY A 51 213.803 247.455 288.059 1.00 0.00 C +ATOM 52 CA PRO A 52 217.047 248.230 286.218 1.00 0.00 C +ATOM 53 CA PRO A 53 217.886 249.196 282.629 1.00 0.00 C +ATOM 54 CA GLY A 54 214.819 249.505 280.391 1.00 0.00 C +ATOM 55 CA PRO A 55 212.451 249.928 277.436 1.00 0.00 C +ATOM 56 CA GLY A 56 212.232 253.515 276.171 1.00 0.00 C +ATOM 57 CA GLY A 57 212.544 257.295 275.815 1.00 0.00 C +ATOM 58 CA VAL A 58 215.782 258.135 277.640 1.00 0.00 C +ATOM 59 CA VAL A 59 218.930 256.209 278.586 1.00 0.00 C +ATOM 60 CA GLY A 60 222.031 255.466 280.672 1.00 0.00 C +ATOM 61 CA PRO A 61 225.611 255.969 279.471 1.00 0.00 C +ATOM 62 CA GLN A 62 227.200 259.330 278.637 1.00 0.00 C +ATOM 63 CA GLY A 63 226.428 262.718 280.201 1.00 0.00 C +ATOM 64 CA PRO A 64 223.427 265.051 279.951 1.00 0.00 C +ATOM 65 CA THR A 65 223.162 265.857 276.236 1.00 0.00 C +ATOM 66 CA GLY A 66 226.280 267.182 274.492 1.00 0.00 C +ATOM 67 CA GLU A 67 228.555 270.189 275.036 1.00 0.00 C +ATOM 68 CA THR A 68 232.102 271.287 274.182 1.00 0.00 C +ATOM 69 CA GLY A 69 235.264 271.043 272.071 1.00 0.00 C +ATOM 70 CA PRO A 70 237.696 273.944 272.502 1.00 0.00 C +ATOM 71 CA ILE A 71 240.842 275.105 270.693 1.00 0.00 C +ATOM 72 CA GLY A 72 242.537 278.438 269.964 1.00 0.00 C +ATOM 73 CA GLU A 73 244.500 279.417 273.079 1.00 0.00 C +ATOM 74 CA ARG A 74 247.791 281.312 273.394 1.00 0.00 C +ATOM 75 CA GLY A 75 251.585 281.095 273.660 1.00 0.00 C +ATOM 76 CA HIS A 76 254.610 281.334 271.355 1.00 0.00 C +ATOM 77 CA PRO A 77 256.286 278.055 270.380 1.00 0.00 C +ATOM 78 CA GLY A 78 259.927 277.421 271.305 1.00 0.00 C +ATOM 79 CA PRO A 79 263.674 277.567 271.981 1.00 0.00 C +ATOM 80 CA PRO A 80 265.809 279.776 269.728 1.00 0.00 C +ATOM 81 CA GLY A 81 269.279 281.044 270.658 1.00 0.00 C +ATOM 82 CA PRO A 82 272.029 283.655 271.031 1.00 0.00 C +ATOM 83 CA PRO A 83 272.702 286.953 269.246 1.00 0.00 C +ATOM 84 CA GLY A 84 276.163 288.546 269.313 1.00 0.00 C +ATOM 85 CA GLU A 85 279.249 286.788 267.935 1.00 0.00 C +ATOM 86 CA GLN A 86 282.932 286.232 268.734 1.00 0.00 C +ATOM 87 CA GLY A 87 285.671 284.778 266.520 1.00 0.00 C +ATOM 88 CA LEU A 88 284.039 282.086 264.374 1.00 0.00 C +ATOM 89 CA PRO A 89 283.248 280.647 260.936 1.00 0.00 C +ATOM 90 CA GLY A 90 280.428 281.999 258.761 1.00 0.00 C +ATOM 91 CA ALA A 91 277.315 279.809 258.937 1.00 0.00 C +ATOM 92 CA ALA A 92 277.724 277.123 256.265 1.00 0.00 C +ATOM 93 CA GLY A 93 275.317 274.173 256.410 1.00 0.00 C +ATOM 94 CA LYS A 94 276.156 270.942 254.574 1.00 0.00 C +ATOM 95 CA GLU A 95 279.126 268.911 253.321 1.00 0.00 C +ATOM 96 CA GLY A 96 282.292 267.025 254.290 1.00 0.00 C +ATOM 97 CA ALA A 97 284.914 264.676 255.747 1.00 0.00 C +ATOM 98 CA LYS A 98 283.898 261.116 256.646 1.00 0.00 C +ATOM 99 CA GLY A 99 284.060 257.551 257.982 1.00 0.00 C +ATOM 100 CA ASP A 100 281.669 254.601 258.287 1.00 0.00 C +ATOM 101 CA PRO A 101 281.487 250.797 258.404 1.00 0.00 C +ATOM 102 CA GLY A 102 280.870 247.318 256.977 1.00 0.00 C +ATOM 103 CA PRO A 103 280.902 244.429 254.494 1.00 0.00 C +ATOM 104 CA GLN A 104 278.854 241.764 252.699 1.00 0.00 C +ATOM 105 CA GLY A 105 275.728 240.901 250.699 1.00 0.00 C +ATOM 106 CA ILE A 106 274.421 237.401 251.448 1.00 0.00 C +ATOM 107 CA SER A 107 271.075 236.029 250.250 1.00 0.00 C +ATOM 108 CA GLY A 108 268.642 235.882 247.322 1.00 0.00 C +ATOM 109 CA LYS A 109 268.423 232.239 246.228 1.00 0.00 C +ATOM 110 CA ASP A 110 269.796 230.919 242.928 1.00 0.00 C +ATOM 111 CA GLY A 111 270.842 227.869 240.899 1.00 0.00 C +ATOM 112 CA PRO A 112 274.223 226.380 239.967 1.00 0.00 C +ATOM 113 CA ALA A 113 276.325 229.194 238.491 1.00 0.00 C +ATOM 114 CA GLY A 114 277.367 232.812 239.073 1.00 0.00 C +ATOM 115 CA ILE A 115 277.667 234.367 235.608 1.00 0.00 C +ATOM 116 CA ARG A 116 278.807 236.423 232.609 1.00 0.00 C +ATOM 117 CA GLY A 117 280.943 239.551 232.197 1.00 0.00 C +ATOM 118 CA PHE A 118 280.921 241.512 235.463 1.00 0.00 C +ATOM 119 CA PRO A 119 283.778 243.976 235.995 1.00 0.00 C +ATOM 120 CA GLY A 120 282.991 247.691 235.683 1.00 0.00 C +ATOM 121 CA VAL A 121 281.110 250.584 237.297 1.00 0.00 C +ATOM 122 CA ARG A 122 278.507 251.567 234.695 1.00 0.00 C +ATOM 123 CA GLY A 123 278.760 253.901 231.694 1.00 0.00 C +ATOM 124 CA LEU A 124 279.317 253.518 227.945 1.00 0.00 C +ATOM 125 CA PRO A 125 281.666 255.851 226.061 1.00 0.00 C +ATOM 126 CA GLY A 126 285.372 256.726 226.207 1.00 0.00 C +ATOM 127 CA ALA A 127 287.429 256.654 223.001 1.00 0.00 C +ATOM 128 CA GLN A 128 287.652 255.164 219.501 1.00 0.00 C +ATOM 129 CA GLY A 129 285.554 253.372 216.873 1.00 0.00 C +ATOM 130 CA ALA A 130 282.177 251.768 217.606 1.00 0.00 C +ATOM 131 CA PRO A 131 282.200 248.026 218.325 1.00 0.00 C +ATOM 132 CA GLY A 132 279.309 245.557 218.081 1.00 0.00 C +ATOM 133 CA LEU A 133 279.327 242.387 215.968 1.00 0.00 C +ATOM 134 CA LYS A 134 281.350 239.298 215.031 1.00 0.00 C +ATOM 135 CA GLY A 135 283.132 236.147 216.221 1.00 0.00 C +ATOM 136 CA GLY A 136 283.695 236.033 219.987 1.00 0.00 C +ATOM 137 CA GLU A 137 287.474 235.900 220.455 1.00 0.00 C +ATOM 138 CA GLY A 138 290.116 237.132 222.909 1.00 0.00 C +ATOM 139 CA PRO A 139 291.365 240.729 222.788 1.00 0.00 C +ATOM 140 CA GLN A 140 291.448 241.982 219.191 1.00 0.00 C +ATOM 141 CA GLY A 141 289.680 241.350 215.876 1.00 0.00 C +ATOM 142 CA PRO A 142 289.591 238.961 212.909 1.00 0.00 C +ATOM 143 CA GLN A 143 287.232 237.448 210.328 1.00 0.00 C +ATOM 144 CA GLY A 144 285.185 238.727 207.380 1.00 0.00 C +ATOM 145 CA PRO A 145 284.745 242.461 207.996 1.00 0.00 C +ATOM 146 CA VAL A 146 283.288 244.157 204.912 1.00 0.00 C +ATOM 147 CA GLY A 147 285.375 243.626 201.769 1.00 0.00 C +ATOM 148 CA SER A 148 288.507 244.261 199.694 1.00 0.00 C +ATOM 149 CA PRO A 149 289.581 241.116 197.831 1.00 0.00 C +ATOM 150 CA GLY A 150 286.675 238.652 197.870 1.00 0.00 C +ATOM 151 CA GLU A 151 284.125 237.590 195.246 1.00 0.00 C +ATOM 152 CA ARG A 152 281.385 236.284 192.944 1.00 0.00 C +ATOM 153 CA GLY A 153 282.439 237.003 189.354 1.00 0.00 C +ATOM 154 CA SER A 154 279.557 237.929 187.040 1.00 0.00 C +ATOM 155 CA ALA A 155 280.584 240.463 184.387 1.00 0.00 C +ATOM 156 CA GLY A 156 281.518 239.558 180.806 1.00 0.00 C +ATOM 157 CA THR A 157 285.050 240.481 179.715 1.00 0.00 C +ATOM 158 CA ALA A 158 285.018 241.319 175.999 1.00 0.00 C +ATOM 159 CA GLY A 159 287.155 241.341 172.844 1.00 0.00 C +ATOM 160 CA PRO A 160 289.381 241.530 169.758 1.00 0.00 C +ATOM 161 CA ILE A 161 292.728 242.891 170.969 1.00 0.00 C +ATOM 162 CA GLY A 162 293.699 246.061 169.092 1.00 0.00 C +ATOM 163 CA LEU A 163 294.847 247.338 165.691 1.00 0.00 C +ATOM 164 CA PRO A 164 295.400 245.961 162.182 1.00 0.00 C +ATOM 165 CA GLY A 165 294.973 247.346 158.658 1.00 0.00 C +ATOM 166 CA ARG A 166 293.640 247.240 155.090 1.00 0.00 C +ATOM 167 CA PRO A 167 295.547 245.645 152.203 1.00 0.00 C +ATOM 168 CA GLY A 168 298.661 243.452 152.282 1.00 0.00 C +ATOM 169 CA PRO A 169 301.708 243.373 154.569 1.00 0.00 C +ATOM 170 CA GLN A 170 302.812 240.398 156.678 1.00 0.00 C +ATOM 171 CA GLY A 171 305.617 238.127 155.460 1.00 0.00 C +ATOM 172 CA PRO A 172 309.027 238.659 153.845 1.00 0.00 C +ATOM 173 CA PRO A 173 311.763 238.936 156.482 1.00 0.00 C +ATOM 174 CA GLY A 174 314.065 235.954 155.908 1.00 0.00 C +ATOM 175 CA PRO A 175 315.400 232.407 156.295 1.00 0.00 C +ATOM 176 CA ALA A 176 317.273 230.011 154.000 1.00 0.00 C +ATOM 177 CA GLY A 177 320.903 228.856 153.977 1.00 0.00 C +ATOM 178 CA GLU A 178 322.282 227.096 150.891 1.00 0.00 C +ATOM 179 CA LYS A 179 320.519 228.558 147.846 1.00 0.00 C +ATOM 180 CA GLY A 180 319.528 225.800 145.412 1.00 0.00 C +ATOM 181 CA ALA A 181 319.306 224.359 141.892 1.00 0.00 C +ATOM 182 CA PRO A 182 318.466 220.798 140.829 1.00 0.00 C +ATOM 183 CA GLY A 183 314.760 219.917 140.914 1.00 0.00 C +ATOM 184 CA VAL A 184 312.712 216.724 141.269 1.00 0.00 C +ATOM 185 CA LYS A 185 311.581 213.216 142.233 1.00 0.00 C +ATOM 186 CA GLY A 186 310.209 212.471 145.708 1.00 0.00 C +ATOM 187 CA GLN A 187 307.369 211.400 148.012 1.00 0.00 C +TER 188 GLN A 187 +END diff --git a/Mammals/Q61356/Q61356.dcd b/Mammals/Q61356/Q61356.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e23ec4f398829f04d4f9a16d026484a4faf3ffcc --- /dev/null +++ b/Mammals/Q61356/Q61356.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e880ceec1f564c1eff4128acddd1914a9470675cc2993df33ac1668855a11ff4 +size 5120276 diff --git a/Mammals/Q61356/top.pdb b/Mammals/Q61356/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..dcef7b80bb1a2825fdb20666703e277abf33fb4b --- /dev/null +++ b/Mammals/Q61356/top.pdb @@ -0,0 +1,40 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLY A 1 223.627 260.092 238.235 1.00 0.00 C +ATOM 2 CA PHE A 2 226.193 257.844 239.931 1.00 0.00 C +ATOM 3 CA LYS A 3 229.129 255.701 241.074 1.00 0.00 C +ATOM 4 CA ALA A 4 231.422 253.366 239.123 1.00 0.00 C +ATOM 5 CA HIS A 5 233.037 251.415 236.277 1.00 0.00 C +ATOM 6 CA PHE A 6 234.734 251.361 232.866 1.00 0.00 C +ATOM 7 CA PHE A 7 236.512 248.030 232.354 1.00 0.00 C +ATOM 8 CA SER A 8 240.154 248.737 231.490 1.00 0.00 C +ATOM 9 CA GLU A 9 242.931 251.286 232.052 1.00 0.00 C +ATOM 10 CA LYS A 10 245.439 252.098 234.802 1.00 0.00 C +ATOM 11 CA ARG A 11 248.302 250.534 236.771 1.00 0.00 C +ATOM 12 CA PRO A 12 250.413 251.641 239.743 1.00 0.00 C +ATOM 13 CA ALA A 13 250.264 249.072 242.554 1.00 0.00 C +ATOM 14 CA LEU A 14 251.006 245.365 243.028 1.00 0.00 C +ATOM 15 CA GLN A 15 253.009 244.698 246.200 1.00 0.00 C +ATOM 16 CA PRO A 16 251.686 242.301 248.849 1.00 0.00 C +ATOM 17 CA PRO A 17 254.757 241.308 250.873 1.00 0.00 C +ATOM 18 CA ARG A 18 258.381 242.486 250.920 1.00 0.00 C +ATOM 19 CA GLY A 19 261.128 244.140 248.863 1.00 0.00 C +ATOM 20 CA ARG A 20 262.497 247.254 247.146 1.00 0.00 C +ATOM 21 CA PRO A 21 265.370 249.504 248.239 1.00 0.00 C +ATOM 22 CA HIS A 22 264.508 252.652 250.206 1.00 0.00 C +ATOM 23 CA GLN A 23 263.292 252.009 253.759 1.00 0.00 C +ATOM 24 CA LEU A 24 259.528 252.037 254.353 1.00 0.00 C +ATOM 25 CA LYS A 25 256.790 250.795 256.693 1.00 0.00 C +ATOM 26 CA PHE A 26 255.510 247.271 257.370 1.00 0.00 C +ATOM 27 CA ARG A 27 255.370 245.944 260.939 1.00 0.00 C +ATOM 28 CA VAL A 28 253.469 247.616 263.787 1.00 0.00 C +ATOM 29 CA GLN A 29 251.550 250.528 265.321 1.00 0.00 C +ATOM 30 CA LYS A 30 251.089 254.270 264.775 1.00 0.00 C +ATOM 31 CA ARG A 31 254.416 255.846 265.757 1.00 0.00 C +ATOM 32 CA ASN A 32 257.853 256.111 267.380 1.00 0.00 C +ATOM 33 CA ARG A 33 258.797 253.324 269.800 1.00 0.00 C +ATOM 34 CA THR A 34 258.745 249.789 268.378 1.00 0.00 C +ATOM 35 CA PRO A 35 256.362 247.051 269.537 1.00 0.00 C +ATOM 36 CA GLN A 36 252.728 246.524 270.555 1.00 0.00 C +TER 37 GLN A 36 +END diff --git a/Mammals/Q61445/Q61445.dcd b/Mammals/Q61445/Q61445.dcd new file mode 100644 index 0000000000000000000000000000000000000000..f65a057ff68a4a17a13aec4d78a47c6f47ce53f4 --- /dev/null +++ b/Mammals/Q61445/Q61445.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:24dace8699930ee84e35175dc936c5817c7d967b01f227a9aa4e0b975bd6fcb7 +size 4640276 diff --git a/Mammals/Q61445/top.pdb b/Mammals/Q61445/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b4af80c77c81d423597456d7b64c27785b86d443 --- /dev/null +++ b/Mammals/Q61445/top.pdb @@ -0,0 +1,36 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 273.036 264.830 249.313 1.00 0.00 C +ATOM 2 CA GLU A 2 275.147 267.702 250.661 1.00 0.00 C +ATOM 3 CA THR A 3 272.871 270.701 251.245 1.00 0.00 C +ATOM 4 CA GLN A 4 270.615 273.472 252.566 1.00 0.00 C +ATOM 5 CA THR A 5 266.843 272.942 252.608 1.00 0.00 C +ATOM 6 CA VAL A 6 264.267 271.697 255.125 1.00 0.00 C +ATOM 7 CA GLN A 7 260.536 270.966 255.366 1.00 0.00 C +ATOM 8 CA ARG A 8 258.371 267.851 255.013 1.00 0.00 C +ATOM 9 CA GLU A 9 254.760 266.943 254.206 1.00 0.00 C +ATOM 10 CA LEU A 10 251.959 267.180 251.635 1.00 0.00 C +ATOM 11 CA GLU A 11 248.771 268.568 253.192 1.00 0.00 C +ATOM 12 CA THR A 12 246.361 268.853 250.255 1.00 0.00 C +ATOM 13 CA LEU A 13 246.448 266.848 247.016 1.00 0.00 C +ATOM 14 CA PRO A 14 244.783 263.556 246.065 1.00 0.00 C +ATOM 15 CA THR A 15 245.492 259.931 245.131 1.00 0.00 C +ATOM 16 CA THR A 16 245.767 257.709 248.214 1.00 0.00 C +ATOM 17 CA LYS A 17 248.620 255.238 247.689 1.00 0.00 C +ATOM 18 CA MET A 18 248.316 251.443 247.834 1.00 0.00 C +ATOM 19 CA ALA A 19 247.636 247.861 246.731 1.00 0.00 C +ATOM 20 CA GLN A 20 246.159 244.964 244.745 1.00 0.00 C +ATOM 21 CA THR A 21 244.844 241.425 244.229 1.00 0.00 C +ATOM 22 CA ASN A 22 244.988 239.012 247.173 1.00 0.00 C +ATOM 23 CA PRO A 23 244.187 235.527 245.858 1.00 0.00 C +ATOM 24 CA MET A 24 243.598 232.627 248.257 1.00 0.00 C +ATOM 25 CA PRO A 25 241.992 229.639 246.522 1.00 0.00 C +ATOM 26 CA GLY A 26 239.313 226.930 246.534 1.00 0.00 C +ATOM 27 CA SER A 27 238.725 224.290 249.218 1.00 0.00 C +ATOM 28 CA LEU A 28 238.362 220.641 248.187 1.00 0.00 C +ATOM 29 CA GLY A 29 236.471 217.869 249.991 1.00 0.00 C +ATOM 30 CA PRO A 30 235.499 218.866 253.538 1.00 0.00 C +ATOM 31 CA TRP A 31 237.525 218.431 256.735 1.00 0.00 C +ATOM 32 CA LYS A 32 237.741 215.490 259.148 1.00 0.00 C +TER 33 LYS A 32 +END diff --git a/Mammals/Q61446/Q61446.dcd b/Mammals/Q61446/Q61446.dcd new file mode 100644 index 0000000000000000000000000000000000000000..0c47fa47d5980d3695943e6a7e4c47a8fe44dbd0 --- /dev/null +++ b/Mammals/Q61446/Q61446.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:54e97434ec397d7265d0384050d196bccbf23cfc6981f5e7dc74c1495ad58572 +size 5240276 diff --git a/Mammals/Q61446/top.pdb b/Mammals/Q61446/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..159136f3d25656000548e963183fc404130b7b95 --- /dev/null +++ b/Mammals/Q61446/top.pdb @@ -0,0 +1,41 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 211.416 247.712 233.555 1.00 0.00 C +ATOM 2 CA GLY A 2 213.398 244.882 235.160 1.00 0.00 C +ATOM 3 CA LYS A 3 216.769 245.773 236.695 1.00 0.00 C +ATOM 4 CA VAL A 4 220.193 244.367 237.598 1.00 0.00 C +ATOM 5 CA SER A 5 222.731 245.379 240.254 1.00 0.00 C +ATOM 6 CA PRO A 6 221.589 248.312 242.402 1.00 0.00 C +ATOM 7 CA GLU A 7 222.805 251.366 244.329 1.00 0.00 C +ATOM 8 CA HIS A 8 226.518 251.259 245.174 1.00 0.00 C +ATOM 9 CA PRO A 9 229.776 251.656 247.109 1.00 0.00 C +ATOM 10 CA ARG A 10 232.510 251.128 249.709 1.00 0.00 C +ATOM 11 CA PHE A 11 234.225 247.741 249.389 1.00 0.00 C +ATOM 12 CA GLY A 12 235.432 244.271 250.401 1.00 0.00 C +ATOM 13 CA LYS A 13 239.224 244.344 250.033 1.00 0.00 C +ATOM 14 CA GLY A 14 240.813 247.478 248.562 1.00 0.00 C +ATOM 15 CA PRO A 15 244.536 246.709 248.304 1.00 0.00 C +ATOM 16 CA ALA A 16 247.848 248.063 249.611 1.00 0.00 C +ATOM 17 CA LEU A 17 250.961 249.898 248.404 1.00 0.00 C +ATOM 18 CA GLY A 18 253.952 247.561 248.070 1.00 0.00 C +ATOM 19 CA SER A 19 255.887 244.822 246.263 1.00 0.00 C +ATOM 20 CA GLU A 20 259.536 244.227 247.182 1.00 0.00 C +ATOM 21 CA PRO A 21 262.064 246.262 245.186 1.00 0.00 C +ATOM 22 CA ARG A 22 260.984 249.315 243.178 1.00 0.00 C +ATOM 23 CA ARG A 23 258.809 251.404 245.505 1.00 0.00 C +ATOM 24 CA ALA A 24 259.274 250.925 249.256 1.00 0.00 C +ATOM 25 CA SER A 25 260.524 248.486 251.904 1.00 0.00 C +ATOM 26 CA GLU A 26 263.431 246.514 253.378 1.00 0.00 C +ATOM 27 CA PRO A 27 264.460 247.242 256.974 1.00 0.00 C +ATOM 28 CA CYS A 28 267.203 249.886 256.885 1.00 0.00 C +ATOM 29 CA LEU A 29 265.420 253.225 257.314 1.00 0.00 C +ATOM 30 CA ALA A 30 267.220 256.576 257.085 1.00 0.00 C +ATOM 31 CA LEU A 31 270.972 255.940 257.258 1.00 0.00 C +ATOM 32 CA PRO A 32 274.720 255.861 257.938 1.00 0.00 C +ATOM 33 CA TYR A 33 278.441 255.146 258.343 1.00 0.00 C +ATOM 34 CA ARG A 34 279.906 255.619 261.828 1.00 0.00 C +ATOM 35 CA SER A 35 278.282 257.468 264.737 1.00 0.00 C +ATOM 36 CA PRO A 36 278.061 259.987 267.587 1.00 0.00 C +ATOM 37 CA SER A 37 280.108 263.197 267.442 1.00 0.00 C +TER 38 SER A 37 +END diff --git a/Mammals/Q61566/Q61566.dcd b/Mammals/Q61566/Q61566.dcd new file mode 100644 index 0000000000000000000000000000000000000000..2571163e7da7fe1207ec328fa32942c09d8f8a62 --- /dev/null +++ b/Mammals/Q61566/Q61566.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:76f071c1da2275368de180784ce7a9a26f2457eb9955b03f6d4d16597c95f5f7 +size 7160276 diff --git a/Mammals/Q61566/top.pdb b/Mammals/Q61566/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f7b9e6b342cdaa7aec24e7d81441320bb1252aba --- /dev/null +++ b/Mammals/Q61566/top.pdb @@ -0,0 +1,57 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA TYR A 1 282.101 267.494 246.964 1.00 0.00 C +ATOM 2 CA TYR A 2 279.529 266.334 249.524 1.00 0.00 C +ATOM 3 CA TYR A 3 276.972 269.058 250.271 1.00 0.00 C +ATOM 4 CA GLY A 4 273.989 268.275 248.034 1.00 0.00 C +ATOM 5 CA VAL A 5 270.507 267.329 249.257 1.00 0.00 C +ATOM 6 CA GLU A 6 268.127 264.355 249.279 1.00 0.00 C +ATOM 7 CA GLU A 7 268.097 262.145 252.383 1.00 0.00 C +ATOM 8 CA THR A 8 265.757 259.208 253.024 1.00 0.00 C +ATOM 9 CA GLU A 9 264.493 256.363 250.828 1.00 0.00 C +ATOM 10 CA ASP A 10 264.821 257.027 247.091 1.00 0.00 C +ATOM 11 CA GLU A 11 263.593 259.013 244.080 1.00 0.00 C +ATOM 12 CA SER A 12 261.006 261.363 242.564 1.00 0.00 C +ATOM 13 CA ASP A 13 257.466 260.342 241.592 1.00 0.00 C +ATOM 14 CA ALA A 14 253.918 261.670 241.188 1.00 0.00 C +ATOM 15 CA GLN A 15 251.895 262.307 244.353 1.00 0.00 C +ATOM 16 CA GLN A 16 248.964 264.721 244.034 1.00 0.00 C +ATOM 17 CA ARG A 17 245.636 262.874 244.196 1.00 0.00 C +ATOM 18 CA HIS A 18 243.303 260.380 242.506 1.00 0.00 C +ATOM 19 CA HIS A 19 242.997 259.389 238.840 1.00 0.00 C +ATOM 20 CA GLN A 20 240.140 258.706 236.414 1.00 0.00 C +ATOM 21 CA GLN A 21 236.963 260.276 237.813 1.00 0.00 C +ATOM 22 CA GLN A 22 235.227 260.006 241.194 1.00 0.00 C +ATOM 23 CA GLN A 23 232.484 257.363 241.109 1.00 0.00 C +ATOM 24 CA GLN A 24 231.190 257.135 237.533 1.00 0.00 C +ATOM 25 CA GLN A 25 232.559 254.891 234.774 1.00 0.00 C +ATOM 26 CA ARG A 26 235.264 252.209 234.746 1.00 0.00 C +ATOM 27 CA GLN A 27 238.622 250.494 234.197 1.00 0.00 C +ATOM 28 CA GLN A 28 239.453 248.000 236.955 1.00 0.00 C +ATOM 29 CA GLN A 29 242.395 249.578 238.790 1.00 0.00 C +ATOM 30 CA ARG A 30 243.369 253.253 239.041 1.00 0.00 C +ATOM 31 CA GLN A 31 243.121 254.373 242.675 1.00 0.00 C +ATOM 32 CA ARG A 32 240.816 253.290 245.509 1.00 0.00 C +ATOM 33 CA HIS A 33 242.925 250.967 247.672 1.00 0.00 C +ATOM 34 CA GLN A 34 245.055 250.158 250.725 1.00 0.00 C +ATOM 35 CA GLU A 35 245.017 246.695 252.314 1.00 0.00 C +ATOM 36 CA GLN A 36 242.141 244.262 252.887 1.00 0.00 C +ATOM 37 CA HIS A 37 241.283 242.686 249.527 1.00 0.00 C +ATOM 38 CA GLU A 38 240.362 239.013 249.102 1.00 0.00 C +ATOM 39 CA ARG A 39 243.087 236.505 249.998 1.00 0.00 C +ATOM 40 CA GLU A 40 244.667 235.160 253.193 1.00 0.00 C +ATOM 41 CA HIS A 41 243.487 232.952 256.065 1.00 0.00 C +ATOM 42 CA GLU A 42 240.722 234.681 258.035 1.00 0.00 C +ATOM 43 CA HIS A 43 238.794 233.206 260.972 1.00 0.00 C +ATOM 44 CA GLN A 44 240.143 230.496 263.285 1.00 0.00 C +ATOM 45 CA GLN A 45 241.076 227.174 264.899 1.00 0.00 C +ATOM 46 CA PRO A 46 244.778 226.346 264.541 1.00 0.00 C +ATOM 47 CA GLU A 47 247.331 227.349 267.185 1.00 0.00 C +ATOM 48 CA SER A 48 250.562 229.326 267.597 1.00 0.00 C +ATOM 49 CA SER A 49 253.888 230.945 268.508 1.00 0.00 C +ATOM 50 CA GLN A 50 256.210 233.805 269.483 1.00 0.00 C +ATOM 51 CA PRO A 51 256.331 235.497 272.895 1.00 0.00 C +ATOM 52 CA HIS A 52 257.710 233.329 275.708 1.00 0.00 C +ATOM 53 CA ARG A 53 259.656 230.227 274.652 1.00 0.00 C +TER 54 ARG A 53 +END diff --git a/Mammals/Q61570/Q61570.dcd b/Mammals/Q61570/Q61570.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e94ebb72c535f3be451e0dc478bf16ad0f4fe3db --- /dev/null +++ b/Mammals/Q61570/Q61570.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5e60d8cc37c1966ff1019d26c50fffea89d1d2ebd02cdadb11ca7c8381b4d9c9 +size 47100276 diff --git a/Mammals/Q61570/top.pdb b/Mammals/Q61570/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..92de3590c00c3456ac712c59249a5c1c15c10c69 --- /dev/null +++ b/Mammals/Q61570/top.pdb @@ -0,0 +1,259 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLY A 1 165.454 203.065 338.957 1.00 0.00 C +ATOM 2 CA GLY A 2 164.080 206.463 337.919 1.00 0.00 C +ATOM 3 CA LEU A 3 166.665 209.260 338.027 1.00 0.00 C +ATOM 4 CA ALA A 4 165.541 212.835 337.341 1.00 0.00 C +ATOM 5 CA ALA A 5 165.514 215.855 335.018 1.00 0.00 C +ATOM 6 CA ASP A 6 162.046 217.432 335.052 1.00 0.00 C +ATOM 7 CA ALA A 7 159.725 214.967 333.304 1.00 0.00 C +ATOM 8 CA SER A 8 160.948 213.200 330.158 1.00 0.00 C +ATOM 9 CA ARG A 9 163.177 213.877 327.143 1.00 0.00 C +ATOM 10 CA ARG A 10 166.298 215.974 327.758 1.00 0.00 C +ATOM 11 CA SER A 11 169.228 217.935 326.313 1.00 0.00 C +ATOM 12 CA GLY A 12 172.618 216.965 324.870 1.00 0.00 C +ATOM 13 CA ALA A 13 174.955 215.355 327.412 1.00 0.00 C +ATOM 14 CA ARG A 14 176.077 214.720 330.997 1.00 0.00 C +ATOM 15 CA GLN A 15 179.876 214.537 331.234 1.00 0.00 C +ATOM 16 CA GLY A 16 183.036 214.006 329.174 1.00 0.00 C +ATOM 17 CA GLN A 17 184.975 217.257 328.737 1.00 0.00 C +ATOM 18 CA ALA A 18 184.479 220.933 327.868 1.00 0.00 C +ATOM 19 CA SER A 19 185.871 222.242 324.572 1.00 0.00 C +ATOM 20 CA ALA A 20 189.154 224.164 324.359 1.00 0.00 C +ATOM 21 CA GLN A 21 188.936 227.957 324.072 1.00 0.00 C +ATOM 22 CA GLY A 22 188.571 229.141 320.469 1.00 0.00 C +ATOM 23 CA ARG A 23 191.868 229.594 318.614 1.00 0.00 C +ATOM 24 CA ALA A 24 192.616 226.249 316.950 1.00 0.00 C +ATOM 25 CA GLY A 25 194.539 223.059 316.148 1.00 0.00 C +ATOM 26 CA SER A 26 195.913 221.362 319.270 1.00 0.00 C +ATOM 27 CA GLN A 27 196.431 217.593 319.062 1.00 0.00 C +ATOM 28 CA GLY A 28 199.650 216.389 317.417 1.00 0.00 C +ATOM 29 CA GLN A 29 202.709 215.152 315.512 1.00 0.00 C +ATOM 30 CA ALA A 30 203.516 216.223 311.945 1.00 0.00 C +ATOM 31 CA GLN A 31 206.284 213.981 310.593 1.00 0.00 C +ATOM 32 CA GLY A 32 208.079 216.160 308.034 1.00 0.00 C +ATOM 33 CA ARG A 33 208.074 219.656 309.550 1.00 0.00 C +ATOM 34 CA VAL A 34 207.999 222.322 306.830 1.00 0.00 C +ATOM 35 CA GLY A 35 204.464 222.176 305.415 1.00 0.00 C +ATOM 36 CA SER A 36 202.561 223.856 302.574 1.00 0.00 C +ATOM 37 CA SER A 37 202.176 222.722 298.957 1.00 0.00 C +ATOM 38 CA ALA A 38 202.909 221.381 295.467 1.00 0.00 C +ATOM 39 CA ASP A 39 203.670 224.391 293.259 1.00 0.00 C +ATOM 40 CA ARG A 40 202.408 227.425 291.329 1.00 0.00 C +ATOM 41 CA GLN A 41 201.078 227.476 287.759 1.00 0.00 C +ATOM 42 CA GLY A 42 198.397 229.841 286.442 1.00 0.00 C +ATOM 43 CA ARG A 43 197.294 232.664 288.750 1.00 0.00 C +ATOM 44 CA ARG A 44 194.168 234.834 288.931 1.00 0.00 C +ATOM 45 CA GLY A 45 191.916 237.288 287.082 1.00 0.00 C +ATOM 46 CA VAL A 46 188.915 239.399 286.053 1.00 0.00 C +ATOM 47 CA SER A 47 185.659 240.271 284.276 1.00 0.00 C +ATOM 48 CA GLU A 48 184.397 243.439 285.974 1.00 0.00 C +ATOM 49 CA SER A 49 185.000 246.680 284.064 1.00 0.00 C +ATOM 50 CA GLN A 50 184.067 250.265 284.957 1.00 0.00 C +ATOM 51 CA ALA A 51 186.843 251.420 287.297 1.00 0.00 C +ATOM 52 CA SER A 52 190.650 251.349 287.430 1.00 0.00 C +ATOM 53 CA ASP A 53 191.479 250.933 291.125 1.00 0.00 C +ATOM 54 CA SER A 54 191.707 247.777 293.247 1.00 0.00 C +ATOM 55 CA GLU A 55 193.747 244.625 292.599 1.00 0.00 C +ATOM 56 CA GLY A 56 194.868 244.016 289.009 1.00 0.00 C +ATOM 57 CA HIS A 57 196.456 242.469 285.910 1.00 0.00 C +ATOM 58 CA SER A 58 197.485 238.840 285.372 1.00 0.00 C +ATOM 59 CA ASP A 59 200.813 238.203 283.631 1.00 0.00 C +ATOM 60 CA PHE A 60 201.798 236.408 280.418 1.00 0.00 C +ATOM 61 CA SER A 61 203.561 234.249 277.819 1.00 0.00 C +ATOM 62 CA GLU A 62 204.749 231.282 275.746 1.00 0.00 C +ATOM 63 CA GLY A 63 206.634 232.885 272.848 1.00 0.00 C +ATOM 64 CA GLN A 64 204.012 233.769 270.229 1.00 0.00 C +ATOM 65 CA ALA A 65 201.006 231.633 269.273 1.00 0.00 C +ATOM 66 CA VAL A 66 199.475 229.391 266.599 1.00 0.00 C +ATOM 67 CA GLY A 67 199.042 231.629 263.547 1.00 0.00 C +ATOM 68 CA ALA A 68 198.193 230.166 260.133 1.00 0.00 C +ATOM 69 CA HIS A 69 201.499 228.887 258.738 1.00 0.00 C +ATOM 70 CA ARG A 70 204.323 226.590 259.863 1.00 0.00 C +ATOM 71 CA GLN A 71 207.499 224.549 260.377 1.00 0.00 C +ATOM 72 CA SER A 72 209.653 221.483 259.686 1.00 0.00 C +ATOM 73 CA GLY A 73 213.296 222.096 258.756 1.00 0.00 C +ATOM 74 CA ALA A 74 216.302 219.836 258.143 1.00 0.00 C +ATOM 75 CA GLY A 75 219.391 218.955 260.191 1.00 0.00 C +ATOM 76 CA GLN A 76 223.064 218.843 261.199 1.00 0.00 C +ATOM 77 CA ARG A 77 225.499 218.782 264.129 1.00 0.00 C +ATOM 78 CA HIS A 78 227.225 222.178 264.090 1.00 0.00 C +ATOM 79 CA GLU A 79 227.120 223.253 260.437 1.00 0.00 C +ATOM 80 CA GLN A 80 227.546 223.497 256.658 1.00 0.00 C +ATOM 81 CA ARG A 81 226.562 224.993 253.295 1.00 0.00 C +ATOM 82 CA SER A 82 223.075 223.733 252.415 1.00 0.00 C +ATOM 83 CA SER A 83 222.739 223.013 248.689 1.00 0.00 C +ATOM 84 CA ARG A 84 222.584 225.648 245.940 1.00 0.00 C +ATOM 85 CA GLY A 85 225.174 228.410 246.362 1.00 0.00 C +ATOM 86 CA GLN A 86 228.743 228.195 245.046 1.00 0.00 C +ATOM 87 CA HIS A 87 230.604 231.399 244.158 1.00 0.00 C +ATOM 88 CA GLY A 88 232.708 233.161 241.515 1.00 0.00 C +ATOM 89 CA SER A 89 234.334 236.540 242.186 1.00 0.00 C +ATOM 90 CA GLY A 90 232.303 239.532 240.986 1.00 0.00 C +ATOM 91 CA PHE A 91 234.756 241.647 238.979 1.00 0.00 C +ATOM 92 CA TYR A 92 233.165 243.739 236.221 1.00 0.00 C +ATOM 93 CA PRO A 93 231.335 246.836 234.966 1.00 0.00 C +ATOM 94 CA VAL A 94 232.373 250.047 233.198 1.00 0.00 C +ATOM 95 CA TYR A 95 233.469 251.599 229.895 1.00 0.00 C +ATOM 96 CA TYR A 96 234.484 248.841 227.470 1.00 0.00 C +ATOM 97 CA TYR A 97 236.280 245.699 228.660 1.00 0.00 C +ATOM 98 CA TYR A 98 236.516 242.500 230.716 1.00 0.00 C +ATOM 99 CA GLU A 99 239.145 240.887 232.953 1.00 0.00 C +ATOM 100 CA GLN A 100 241.863 239.127 230.945 1.00 0.00 C +ATOM 101 CA GLU A 101 245.101 240.668 232.231 1.00 0.00 C +ATOM 102 CA HIS A 102 248.555 242.221 232.650 1.00 0.00 C +ATOM 103 CA SER A 103 249.881 245.678 233.548 1.00 0.00 C +ATOM 104 CA GLU A 104 248.679 249.044 232.229 1.00 0.00 C +ATOM 105 CA GLU A 105 245.723 250.909 230.713 1.00 0.00 C +ATOM 106 CA GLU A 106 245.043 253.822 228.353 1.00 0.00 C +ATOM 107 CA SER A 107 245.131 256.227 225.400 1.00 0.00 C +ATOM 108 CA ASP A 108 246.776 259.634 225.853 1.00 0.00 C +ATOM 109 CA SER A 109 248.664 262.837 225.020 1.00 0.00 C +ATOM 110 CA GLN A 110 247.729 265.535 227.543 1.00 0.00 C +ATOM 111 CA HIS A 111 250.379 268.247 227.912 1.00 0.00 C +ATOM 112 CA GLN A 112 250.847 271.510 226.000 1.00 0.00 C +ATOM 113 CA HIS A 113 247.899 271.989 223.635 1.00 0.00 C +ATOM 114 CA GLY A 114 244.351 271.756 225.002 1.00 0.00 C +ATOM 115 CA HIS A 115 242.479 268.442 224.827 1.00 0.00 C +ATOM 116 CA GLN A 116 239.867 265.830 223.895 1.00 0.00 C +ATOM 117 CA HIS A 117 240.761 264.076 220.633 1.00 0.00 C +ATOM 118 CA GLU A 118 239.990 260.619 219.229 1.00 0.00 C +ATOM 119 CA GLN A 119 243.196 258.860 218.159 1.00 0.00 C +ATOM 120 CA GLN A 120 246.095 256.641 217.067 1.00 0.00 C +ATOM 121 CA ARG A 121 249.584 255.700 218.273 1.00 0.00 C +ATOM 122 CA GLY A 122 252.787 255.016 216.326 1.00 0.00 C +ATOM 123 CA HIS A 123 253.746 255.255 212.646 1.00 0.00 C +ATOM 124 CA GLN A 124 255.961 257.797 210.871 1.00 0.00 C +ATOM 125 CA HIS A 125 258.363 260.748 211.062 1.00 0.00 C +ATOM 126 CA GLN A 126 261.525 260.008 213.056 1.00 0.00 C +ATOM 127 CA HIS A 127 264.823 261.709 212.190 1.00 0.00 C +ATOM 128 CA GLN A 128 266.577 265.073 212.538 1.00 0.00 C +ATOM 129 CA HIS A 129 268.720 267.419 210.435 1.00 0.00 C +ATOM 130 CA GLN A 130 271.557 269.924 209.998 1.00 0.00 C +ATOM 131 CA HIS A 131 272.862 273.013 208.190 1.00 0.00 C +ATOM 132 CA GLU A 132 276.027 272.931 206.071 1.00 0.00 C +ATOM 133 CA HIS A 133 276.239 275.973 203.786 1.00 0.00 C +ATOM 134 CA GLU A 134 274.699 275.627 200.319 1.00 0.00 C +ATOM 135 CA GLN A 135 272.179 278.148 198.973 1.00 0.00 C +ATOM 136 CA PRO A 136 268.798 279.037 200.487 1.00 0.00 C +ATOM 137 CA GLU A 137 266.199 276.518 199.296 1.00 0.00 C +ATOM 138 CA SER A 138 264.385 274.333 201.836 1.00 0.00 C +ATOM 139 CA GLY A 139 266.925 271.636 202.725 1.00 0.00 C +ATOM 140 CA HIS A 140 269.980 269.733 201.476 1.00 0.00 C +ATOM 141 CA ARG A 141 272.501 267.330 203.020 1.00 0.00 C +ATOM 142 CA GLN A 142 274.372 264.666 201.039 1.00 0.00 C +ATOM 143 CA GLN A 143 277.039 262.863 199.002 1.00 0.00 C +ATOM 144 CA GLN A 144 279.538 265.001 197.079 1.00 0.00 C +ATOM 145 CA SER A 145 281.470 266.819 194.345 1.00 0.00 C +ATOM 146 CA SER A 146 280.130 270.109 192.969 1.00 0.00 C +ATOM 147 CA GLY A 147 276.898 270.786 191.068 1.00 0.00 C +ATOM 148 CA ARG A 148 274.651 272.826 188.763 1.00 0.00 C +ATOM 149 CA GLY A 149 272.926 274.580 185.855 1.00 0.00 C +ATOM 150 CA HIS A 150 270.870 275.527 182.790 1.00 0.00 C +ATOM 151 CA GLN A 151 267.902 273.376 181.749 1.00 0.00 C +ATOM 152 CA GLY A 152 266.300 270.011 180.961 1.00 0.00 C +ATOM 153 CA ALA A 153 265.248 267.116 183.204 1.00 0.00 C +ATOM 154 CA HIS A 154 267.083 265.881 186.306 1.00 0.00 C +ATOM 155 CA GLN A 155 264.845 265.565 189.373 1.00 0.00 C +ATOM 156 CA GLU A 156 261.291 264.849 190.546 1.00 0.00 C +ATOM 157 CA GLN A 157 257.751 266.214 190.897 1.00 0.00 C +ATOM 158 CA GLY A 158 256.509 269.351 192.667 1.00 0.00 C +ATOM 159 CA ARG A 159 258.161 270.233 195.985 1.00 0.00 C +ATOM 160 CA ASP A 160 261.564 268.648 196.633 1.00 0.00 C +ATOM 161 CA SER A 161 265.180 269.736 196.120 1.00 0.00 C +ATOM 162 CA ALA A 162 267.600 272.112 194.385 1.00 0.00 C +ATOM 163 CA ARG A 163 271.318 271.319 194.126 1.00 0.00 C +ATOM 164 CA SER A 164 272.774 268.319 195.968 1.00 0.00 C +ATOM 165 CA ARG A 165 269.897 265.938 196.721 1.00 0.00 C +ATOM 166 CA GLY A 166 268.298 263.560 194.210 1.00 0.00 C +ATOM 167 CA SER A 167 268.835 260.286 192.336 1.00 0.00 C +ATOM 168 CA ASN A 168 266.120 258.870 190.070 1.00 0.00 C +ATOM 169 CA GLN A 169 264.306 256.755 187.471 1.00 0.00 C +ATOM 170 CA GLY A 170 266.093 254.018 185.514 1.00 0.00 C +ATOM 171 CA HIS A 171 264.155 250.831 186.291 1.00 0.00 C +ATOM 172 CA SER A 172 265.989 248.245 188.403 1.00 0.00 C +ATOM 173 CA SER A 173 267.087 247.624 191.999 1.00 0.00 C +ATOM 174 CA SER A 174 269.849 248.255 194.546 1.00 0.00 C +ATOM 175 CA ARG A 175 270.984 247.917 198.167 1.00 0.00 C +ATOM 176 CA HIS A 176 271.097 251.456 199.574 1.00 0.00 C +ATOM 177 CA GLN A 177 273.796 254.144 199.660 1.00 0.00 C +ATOM 178 CA ALA A 178 277.334 255.220 200.576 1.00 0.00 C +ATOM 179 CA ASP A 179 278.507 253.314 203.659 1.00 0.00 C +ATOM 180 CA SER A 180 276.436 252.194 206.654 1.00 0.00 C +ATOM 181 CA PRO A 181 272.874 251.551 207.845 1.00 0.00 C +ATOM 182 CA ARG A 182 269.453 253.227 207.807 1.00 0.00 C +ATOM 183 CA VAL A 183 269.581 256.909 206.839 1.00 0.00 C +ATOM 184 CA SER A 184 271.610 259.569 208.663 1.00 0.00 C +ATOM 185 CA ALA A 185 274.667 259.497 210.936 1.00 0.00 C +ATOM 186 CA ARG A 186 277.658 260.176 213.196 1.00 0.00 C +ATOM 187 CA SER A 187 279.634 261.022 216.342 1.00 0.00 C +ATOM 188 CA GLY A 188 283.056 260.161 217.781 1.00 0.00 C +ATOM 189 CA SER A 189 286.312 261.573 216.397 1.00 0.00 C +ATOM 190 CA GLY A 190 288.830 263.423 214.216 1.00 0.00 C +ATOM 191 CA GLY A 191 289.841 264.900 210.853 1.00 0.00 C +ATOM 192 CA ARG A 192 291.445 263.102 207.902 1.00 0.00 C +ATOM 193 CA GLY A 193 292.086 259.373 207.454 1.00 0.00 C +ATOM 194 CA GLN A 194 291.000 257.762 210.731 1.00 0.00 C +ATOM 195 CA SER A 195 289.738 254.262 211.552 1.00 0.00 C +ATOM 196 CA PRO A 196 286.080 254.713 212.518 1.00 0.00 C +ATOM 197 CA ASP A 197 284.922 251.946 214.868 1.00 0.00 C +ATOM 198 CA ALA A 198 284.027 253.102 218.386 1.00 0.00 C +ATOM 199 CA SER A 199 286.737 255.607 219.335 1.00 0.00 C +ATOM 200 CA GLY A 200 288.386 257.375 222.280 1.00 0.00 C +ATOM 201 CA ARG A 201 290.584 255.634 224.859 1.00 0.00 C +ATOM 202 CA SER A 202 291.499 251.996 225.523 1.00 0.00 C +ATOM 203 CA SER A 203 288.792 249.443 226.340 1.00 0.00 C +ATOM 204 CA ASN A 204 285.689 250.224 228.409 1.00 0.00 C +ATOM 205 CA ARG A 205 286.521 251.003 232.044 1.00 0.00 C +ATOM 206 CA ARG A 206 283.636 250.930 234.531 1.00 0.00 C +ATOM 207 CA ASP A 207 284.007 250.219 238.256 1.00 0.00 C +ATOM 208 CA ARG A 208 285.133 252.201 241.308 1.00 0.00 C +ATOM 209 CA PRO A 209 285.438 254.358 244.434 1.00 0.00 C +ATOM 210 CA ARG A 210 282.283 254.863 246.511 1.00 0.00 C +ATOM 211 CA GLN A 211 278.870 256.126 247.637 1.00 0.00 C +ATOM 212 CA PRO A 212 277.836 259.774 247.264 1.00 0.00 C +ATOM 213 CA SER A 213 278.555 261.294 250.683 1.00 0.00 C +ATOM 214 CA PRO A 214 278.694 258.687 253.458 1.00 0.00 C +ATOM 215 CA SER A 215 280.467 257.898 256.737 1.00 0.00 C +ATOM 216 CA GLN A 216 281.429 259.788 259.903 1.00 0.00 C +ATOM 217 CA SER A 217 282.329 263.310 258.764 1.00 0.00 C +ATOM 218 CA SER A 218 282.734 265.683 261.717 1.00 0.00 C +ATOM 219 CA ASP A 219 282.189 269.378 260.964 1.00 0.00 C +ATOM 220 CA SER A 220 284.750 272.083 260.162 1.00 0.00 C +ATOM 221 CA GLN A 221 287.001 274.631 261.881 1.00 0.00 C +ATOM 222 CA VAL A 222 288.774 273.570 265.081 1.00 0.00 C +ATOM 223 CA HIS A 223 292.510 273.288 265.774 1.00 0.00 C +ATOM 224 CA SER A 224 293.248 276.031 268.313 1.00 0.00 C +ATOM 225 CA GLY A 225 297.033 276.461 268.353 1.00 0.00 C +ATOM 226 CA VAL A 226 297.565 280.233 268.268 1.00 0.00 C +ATOM 227 CA GLN A 227 299.995 283.094 268.922 1.00 0.00 C +ATOM 228 CA VAL A 228 303.143 281.479 270.335 1.00 0.00 C +ATOM 229 CA GLU A 229 304.272 278.950 267.719 1.00 0.00 C +ATOM 230 CA GLY A 230 307.770 279.954 266.589 1.00 0.00 C +ATOM 231 CA ARG A 231 310.639 277.609 265.704 1.00 0.00 C +ATOM 232 CA ARG A 232 313.100 275.547 267.755 1.00 0.00 C +ATOM 233 CA GLY A 233 314.862 276.413 271.020 1.00 0.00 C +ATOM 234 CA GLN A 234 318.634 276.262 270.508 1.00 0.00 C +ATOM 235 CA SER A 235 320.152 275.214 273.842 1.00 0.00 C +ATOM 236 CA SER A 236 319.573 276.683 277.309 1.00 0.00 C +ATOM 237 CA SER A 237 321.727 277.644 280.301 1.00 0.00 C +ATOM 238 CA ALA A 238 324.881 275.575 280.835 1.00 0.00 C +ATOM 239 CA ASN A 239 327.928 277.727 280.058 1.00 0.00 C +ATOM 240 CA ARG A 240 331.573 277.047 279.182 1.00 0.00 C +ATOM 241 CA ARG A 241 332.326 273.388 278.434 1.00 0.00 C +ATOM 242 CA ALA A 242 333.749 272.542 275.003 1.00 0.00 C +ATOM 243 CA GLY A 243 332.941 270.743 271.743 1.00 0.00 C +ATOM 244 CA SER A 244 334.446 267.252 271.989 1.00 0.00 C +ATOM 245 CA SER A 245 337.306 265.171 273.405 1.00 0.00 C +ATOM 246 CA SER A 246 340.978 264.182 273.645 1.00 0.00 C +ATOM 247 CA GLY A 247 344.259 264.399 275.570 1.00 0.00 C +ATOM 248 CA SER A 248 345.780 267.833 274.926 1.00 0.00 C +ATOM 249 CA GLY A 249 345.403 270.588 277.530 1.00 0.00 C +ATOM 250 CA VAL A 250 341.789 271.637 278.122 1.00 0.00 C +ATOM 251 CA GLN A 251 339.189 269.440 279.835 1.00 0.00 C +ATOM 252 CA GLY A 252 338.929 266.235 281.878 1.00 0.00 C +ATOM 253 CA ALA A 253 337.992 263.525 284.387 1.00 0.00 C +ATOM 254 CA SER A 254 337.446 259.758 284.548 1.00 0.00 C +ATOM 255 CA ALA A 255 340.807 258.224 283.616 1.00 0.00 C +TER 256 ALA A 255 +END diff --git a/Mammals/Q61590/Q61590.dcd b/Mammals/Q61590/Q61590.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b3f32e383b5aebc6d51b7a0deb831dbc47d45acf --- /dev/null +++ b/Mammals/Q61590/Q61590.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6ad5284e7633b0f8bb209a076a370878ccc1e5df86070eeb6a44cd101f640d5b +size 10760276 diff --git a/Mammals/Q61590/top.pdb b/Mammals/Q61590/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..538f520119ea118427601245b44f958aa3fdf0aa --- /dev/null +++ b/Mammals/Q61590/top.pdb @@ -0,0 +1,87 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA THR A 1 252.612 258.724 240.439 1.00 0.00 C +ATOM 2 CA ALA A 2 253.276 256.750 237.249 1.00 0.00 C +ATOM 3 CA LEU A 3 256.825 257.370 236.009 1.00 0.00 C +ATOM 4 CA ILE A 4 258.777 255.225 233.539 1.00 0.00 C +ATOM 5 CA PRO A 5 262.504 254.545 233.132 1.00 0.00 C +ATOM 6 CA SER A 6 263.696 251.008 233.898 1.00 0.00 C +ATOM 7 CA ILE A 7 261.222 248.161 233.359 1.00 0.00 C +ATOM 8 CA LYS A 8 258.256 246.795 231.397 1.00 0.00 C +ATOM 9 CA SER A 9 257.187 243.264 232.349 1.00 0.00 C +ATOM 10 CA LYS A 10 255.720 242.729 235.824 1.00 0.00 C +ATOM 11 CA PRO A 11 252.283 241.538 236.957 1.00 0.00 C +ATOM 12 CA PRO A 12 248.795 242.874 236.205 1.00 0.00 C +ATOM 13 CA LYS A 13 246.032 240.477 237.271 1.00 0.00 C +ATOM 14 CA PRO A 14 242.419 241.587 237.750 1.00 0.00 C +ATOM 15 CA GLN A 15 240.002 243.448 235.467 1.00 0.00 C +ATOM 16 CA VAL A 16 237.935 246.334 236.850 1.00 0.00 C +ATOM 17 CA LEU A 17 235.542 247.775 239.441 1.00 0.00 C +ATOM 18 CA PRO A 18 233.213 248.285 242.413 1.00 0.00 C +ATOM 19 CA ASP A 19 233.541 251.124 244.933 1.00 0.00 C +ATOM 20 CA SER A 20 235.368 253.819 246.912 1.00 0.00 C +ATOM 21 CA GLY A 21 234.546 257.181 248.505 1.00 0.00 C +ATOM 22 CA GLY A 22 233.569 260.817 249.092 1.00 0.00 C +ATOM 23 CA PRO A 23 235.999 263.511 247.927 1.00 0.00 C +ATOM 24 CA LEU A 24 235.164 263.994 244.241 1.00 0.00 C +ATOM 25 CA ILE A 25 236.309 261.798 241.346 1.00 0.00 C +ATOM 26 CA ASP A 26 233.753 259.521 239.673 1.00 0.00 C +ATOM 27 CA LEU A 27 235.232 256.133 238.747 1.00 0.00 C +ATOM 28 CA LEU A 28 238.684 255.643 240.282 1.00 0.00 C +ATOM 29 CA THR A 29 242.343 256.561 240.816 1.00 0.00 C +ATOM 30 CA GLU A 30 245.105 254.975 242.906 1.00 0.00 C +ATOM 31 CA ASP A 31 243.577 251.778 244.307 1.00 0.00 C +ATOM 32 CA PRO A 32 244.367 250.578 247.836 1.00 0.00 C +ATOM 33 CA PRO A 33 243.613 251.361 251.488 1.00 0.00 C +ATOM 34 CA PRO A 34 244.672 248.322 253.527 1.00 0.00 C +ATOM 35 CA TYR A 35 247.989 246.824 252.400 1.00 0.00 C +ATOM 36 CA ARG A 36 250.665 249.536 252.328 1.00 0.00 C +ATOM 37 CA ALA A 37 253.989 251.264 253.021 1.00 0.00 C +ATOM 38 CA GLN A 38 257.327 249.747 254.056 1.00 0.00 C +ATOM 39 CA PRO A 39 261.046 249.635 253.238 1.00 0.00 C +ATOM 40 CA SER A 40 263.784 250.430 250.711 1.00 0.00 C +ATOM 41 CA SER A 41 266.018 247.375 250.270 1.00 0.00 C +ATOM 42 CA SER A 42 269.155 246.524 252.258 1.00 0.00 C +ATOM 43 CA ALA A 43 272.144 244.528 250.993 1.00 0.00 C +ATOM 44 CA ARG A 44 272.157 243.061 247.477 1.00 0.00 C +ATOM 45 CA GLU A 45 272.655 240.912 244.370 1.00 0.00 C +ATOM 46 CA ASN A 46 272.643 241.206 240.572 1.00 0.00 C +ATOM 47 CA ASP A 47 274.753 238.309 239.280 1.00 0.00 C +ATOM 48 CA GLU A 48 275.698 236.006 242.165 1.00 0.00 C +ATOM 49 CA GLU A 49 277.580 234.547 245.139 1.00 0.00 C +ATOM 50 CA GLU A 50 278.937 236.698 247.975 1.00 0.00 C +ATOM 51 CA ALA A 51 279.600 240.019 249.722 1.00 0.00 C +ATOM 52 CA ALA A 52 278.642 242.885 252.042 1.00 0.00 C +ATOM 53 CA THR A 53 276.301 243.002 255.046 1.00 0.00 C +ATOM 54 CA THR A 54 274.377 241.781 258.099 1.00 0.00 C +ATOM 55 CA SER A 55 270.740 242.673 257.398 1.00 0.00 C +ATOM 56 CA GLU A 56 267.681 242.271 259.633 1.00 0.00 C +ATOM 57 CA VAL A 57 265.246 243.967 262.023 1.00 0.00 C +ATOM 58 CA SER A 58 267.058 244.479 265.335 1.00 0.00 C +ATOM 59 CA PRO A 59 266.849 247.427 267.739 1.00 0.00 C +ATOM 60 CA PRO A 60 265.663 249.889 270.393 1.00 0.00 C +ATOM 61 CA SER A 61 261.872 249.992 270.766 1.00 0.00 C +ATOM 62 CA PRO A 62 258.497 251.595 270.022 1.00 0.00 C +ATOM 63 CA MET A 63 257.443 250.167 266.650 1.00 0.00 C +ATOM 64 CA VAL A 64 253.985 250.073 265.053 1.00 0.00 C +ATOM 65 CA SER A 65 251.902 249.893 261.868 1.00 0.00 C +ATOM 66 CA ARG A 66 250.125 252.763 260.100 1.00 0.00 C +ATOM 67 CA LEU A 67 246.515 253.082 258.927 1.00 0.00 C +ATOM 68 CA ARG A 68 244.226 253.784 261.891 1.00 0.00 C +ATOM 69 CA GLY A 69 241.713 251.609 263.754 1.00 0.00 C +ATOM 70 CA LYS A 70 238.154 250.563 262.881 1.00 0.00 C +ATOM 71 CA ARG A 71 237.911 251.176 259.128 1.00 0.00 C +ATOM 72 CA ASP A 72 235.738 252.294 256.204 1.00 0.00 C +ATOM 73 CA PRO A 73 232.624 254.398 255.579 1.00 0.00 C +ATOM 74 CA PRO A 74 229.644 253.086 253.602 1.00 0.00 C +ATOM 75 CA ALA A 75 225.864 253.279 254.038 1.00 0.00 C +ATOM 76 CA VAL A 76 224.979 250.807 256.800 1.00 0.00 C +ATOM 77 CA ASP A 77 224.009 251.854 260.332 1.00 0.00 C +ATOM 78 CA SER A 78 222.042 255.086 259.878 1.00 0.00 C +ATOM 79 CA THR A 79 220.229 255.884 263.132 1.00 0.00 C +ATOM 80 CA THR A 80 220.158 259.346 264.720 1.00 0.00 C +ATOM 81 CA SER A 81 220.286 262.618 262.772 1.00 0.00 C +ATOM 82 CA GLN A 82 220.638 262.167 259.005 1.00 0.00 C +ATOM 83 CA ALA A 83 220.610 265.484 257.130 1.00 0.00 C +TER 84 ALA A 83 +END diff --git a/Mammals/Q61947/Q61947.dcd b/Mammals/Q61947/Q61947.dcd new file mode 100644 index 0000000000000000000000000000000000000000..2d76aa051ca8fbd66edf5cb42a02eb0b2ce24e14 --- /dev/null +++ b/Mammals/Q61947/Q61947.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:121d2823da7a53b981f59f43961f2731b8e9131582bc7a113b69350e231cc123 +size 6680276 diff --git a/Mammals/Q61947/top.pdb b/Mammals/Q61947/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a7e6ef5bd7c1f717926f68638a5cd23e2a837f95 --- /dev/null +++ b/Mammals/Q61947/top.pdb @@ -0,0 +1,53 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA PHE A 1 237.980 237.986 231.081 1.00 0.00 C +ATOM 2 CA LYS A 2 239.965 241.006 229.873 1.00 0.00 C +ATOM 3 CA THR A 3 239.912 244.784 230.363 1.00 0.00 C +ATOM 4 CA GLN A 4 241.463 245.988 233.628 1.00 0.00 C +ATOM 5 CA PRO A 5 240.070 244.976 237.026 1.00 0.00 C +ATOM 6 CA VAL A 6 238.970 248.134 238.852 1.00 0.00 C +ATOM 7 CA HIS A 7 238.267 249.025 242.490 1.00 0.00 C +ATOM 8 CA SER A 8 235.107 249.717 244.503 1.00 0.00 C +ATOM 9 CA PRO A 9 232.422 252.344 243.868 1.00 0.00 C +ATOM 10 CA PRO A 10 230.080 252.853 240.906 1.00 0.00 C +ATOM 11 CA PRO A 11 231.501 253.426 237.417 1.00 0.00 C +ATOM 12 CA GLN A 12 234.919 252.836 235.842 1.00 0.00 C +ATOM 13 CA ALA A 13 238.391 254.329 236.324 1.00 0.00 C +ATOM 14 CA PRO A 14 242.152 254.651 236.844 1.00 0.00 C +ATOM 15 CA ALA A 15 245.084 252.890 238.523 1.00 0.00 C +ATOM 16 CA ASN A 16 247.249 255.716 239.880 1.00 0.00 C +ATOM 17 CA SER A 17 250.028 257.866 238.408 1.00 0.00 C +ATOM 18 CA SER A 18 249.011 261.528 238.669 1.00 0.00 C +ATOM 19 CA THR A 19 249.295 264.714 240.740 1.00 0.00 C +ATOM 20 CA HIS A 20 252.633 265.005 242.554 1.00 0.00 C +ATOM 21 CA VAL A 21 255.778 263.152 241.463 1.00 0.00 C +ATOM 22 CA PRO A 22 257.299 260.187 243.310 1.00 0.00 C +ATOM 23 CA LEU A 23 260.312 258.353 244.749 1.00 0.00 C +ATOM 24 CA SER A 24 261.334 255.867 247.450 1.00 0.00 C +ATOM 25 CA PRO A 25 259.017 253.474 249.299 1.00 0.00 C +ATOM 26 CA ARG A 26 256.046 251.122 248.896 1.00 0.00 C +ATOM 27 CA ALA A 27 256.227 248.514 251.667 1.00 0.00 C +ATOM 28 CA THR A 28 253.259 248.333 254.050 1.00 0.00 C +ATOM 29 CA THR A 29 250.468 248.447 256.640 1.00 0.00 C +ATOM 30 CA TRP A 30 246.763 248.783 257.463 1.00 0.00 C +ATOM 31 CA PRO A 31 244.214 247.036 255.235 1.00 0.00 C +ATOM 32 CA LEU A 32 243.893 243.531 256.695 1.00 0.00 C +ATOM 33 CA PRO A 33 246.559 240.840 257.100 1.00 0.00 C +ATOM 34 CA VAL A 34 250.296 241.346 256.558 1.00 0.00 C +ATOM 35 CA LEU A 35 252.095 240.039 259.651 1.00 0.00 C +ATOM 36 CA PRO A 36 254.771 240.069 262.363 1.00 0.00 C +ATOM 37 CA THR A 37 255.502 241.964 265.587 1.00 0.00 C +ATOM 38 CA THR A 38 256.678 243.850 268.681 1.00 0.00 C +ATOM 39 CA ASP A 39 255.312 247.378 269.136 1.00 0.00 C +ATOM 40 CA LEU A 40 252.219 249.009 267.623 1.00 0.00 C +ATOM 41 CA SER A 41 251.495 248.462 263.923 1.00 0.00 C +ATOM 42 CA LYS A 42 254.147 249.839 261.560 1.00 0.00 C +ATOM 43 CA GLY A 43 257.354 250.763 263.398 1.00 0.00 C +ATOM 44 CA GLU A 44 259.422 247.627 264.038 1.00 0.00 C +ATOM 45 CA PRO A 45 263.071 248.529 263.416 1.00 0.00 C +ATOM 46 CA SER A 46 265.890 246.773 265.284 1.00 0.00 C +ATOM 47 CA ALA A 47 268.582 249.087 266.666 1.00 0.00 C +ATOM 48 CA PRO A 48 272.193 249.864 265.733 1.00 0.00 C +ATOM 49 CA LYS A 49 275.304 247.992 264.578 1.00 0.00 C +TER 50 LYS A 49 +END diff --git a/Mammals/Q62410/Q62410.dcd b/Mammals/Q62410/Q62410.dcd new file mode 100644 index 0000000000000000000000000000000000000000..85d8662488794a90dae0a76ef6c1d54328f18184 --- /dev/null +++ b/Mammals/Q62410/Q62410.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dec69e162680848497f32011ac346546b4f6aefcc1620605399789a54ef704a6 +size 9920276 diff --git a/Mammals/Q62410/top.pdb b/Mammals/Q62410/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..be4a6c847aafd002789dcc619e987160d1cc69e5 --- /dev/null +++ b/Mammals/Q62410/top.pdb @@ -0,0 +1,80 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 254.550 278.989 247.156 1.00 0.00 C +ATOM 2 CA PRO A 2 256.688 280.318 250.017 1.00 0.00 C +ATOM 3 CA GLY A 3 257.537 278.647 253.334 1.00 0.00 C +ATOM 4 CA THR A 4 258.813 275.358 254.773 1.00 0.00 C +ATOM 5 CA SER A 5 262.457 275.560 255.868 1.00 0.00 C +ATOM 6 CA ARG A 6 262.433 278.131 258.680 1.00 0.00 C +ATOM 7 CA HIS A 7 260.570 277.921 261.996 1.00 0.00 C +ATOM 8 CA SER A 8 256.763 277.940 261.853 1.00 0.00 C +ATOM 9 CA GLY A 9 253.975 275.375 262.260 1.00 0.00 C +ATOM 10 CA ARG A 10 253.588 271.682 263.115 1.00 0.00 C +ATOM 11 CA ASP A 11 253.574 267.976 262.233 1.00 0.00 C +ATOM 12 CA ALA A 12 250.397 265.920 261.792 1.00 0.00 C +ATOM 13 CA GLY A 13 250.048 265.007 258.109 1.00 0.00 C +ATOM 14 CA SER A 14 249.079 261.343 257.727 1.00 0.00 C +ATOM 15 CA ALA A 15 248.978 257.677 256.693 1.00 0.00 C +ATOM 16 CA LEU A 16 249.337 255.162 259.532 1.00 0.00 C +ATOM 17 CA LEU A 17 248.982 251.974 261.588 1.00 0.00 C +ATOM 18 CA SER A 18 249.032 248.675 259.682 1.00 0.00 C +ATOM 19 CA LEU A 19 248.633 244.907 259.283 1.00 0.00 C +ATOM 20 CA HIS A 20 252.101 243.348 259.043 1.00 0.00 C +ATOM 21 CA GLN A 21 251.737 239.958 260.745 1.00 0.00 C +ATOM 22 CA GLU A 22 250.004 239.389 264.090 1.00 0.00 C +ATOM 23 CA ASP A 23 246.743 241.057 265.140 1.00 0.00 C +ATOM 24 CA GLN A 24 243.820 240.693 262.724 1.00 0.00 C +ATOM 25 CA GLU A 25 242.575 238.448 259.909 1.00 0.00 C +ATOM 26 CA ASN A 26 243.196 235.160 258.087 1.00 0.00 C +ATOM 27 CA VAL A 27 240.537 232.435 258.223 1.00 0.00 C +ATOM 28 CA ASN A 28 237.210 230.743 258.989 1.00 0.00 C +ATOM 29 CA PRO A 29 234.022 228.803 258.222 1.00 0.00 C +ATOM 30 CA GLU A 30 233.971 225.772 255.914 1.00 0.00 C +ATOM 31 CA LYS A 31 233.839 226.795 252.246 1.00 0.00 C +ATOM 32 CA LEU A 32 233.724 225.446 248.684 1.00 0.00 C +ATOM 33 CA ALA A 33 237.089 226.090 247.017 1.00 0.00 C +ATOM 34 CA PRO A 34 239.091 229.306 246.608 1.00 0.00 C +ATOM 35 CA ALA A 35 236.709 231.651 244.781 1.00 0.00 C +ATOM 36 CA GLN A 36 234.446 234.676 244.288 1.00 0.00 C +ATOM 37 CA GLN A 37 231.733 236.759 242.609 1.00 0.00 C +ATOM 38 CA PRO A 38 230.042 234.780 239.827 1.00 0.00 C +ATOM 39 CA ARG A 39 226.899 232.735 239.154 1.00 0.00 C +ATOM 40 CA ALA A 40 224.555 229.750 238.817 1.00 0.00 C +ATOM 41 CA GLN A 41 221.103 228.665 240.008 1.00 0.00 C +ATOM 42 CA ALA A 42 220.663 229.915 243.580 1.00 0.00 C +ATOM 43 CA VAL A 43 223.177 229.633 246.430 1.00 0.00 C +ATOM 44 CA LEU A 44 225.663 232.206 247.740 1.00 0.00 C +ATOM 45 CA LYS A 45 229.465 232.433 247.641 1.00 0.00 C +ATOM 46 CA ALA A 46 231.748 233.784 250.375 1.00 0.00 C +ATOM 47 CA GLY A 47 232.613 236.915 252.366 1.00 0.00 C +ATOM 48 CA ASN A 48 234.279 238.440 255.435 1.00 0.00 C +ATOM 49 CA VAL A 49 236.944 241.147 255.737 1.00 0.00 C +ATOM 50 CA ARG A 50 236.908 244.119 253.353 1.00 0.00 C +ATOM 51 CA GLY A 51 239.557 246.250 251.633 1.00 0.00 C +ATOM 52 CA PRO A 52 239.984 249.962 250.889 1.00 0.00 C +ATOM 53 CA ALA A 53 241.976 250.879 247.773 1.00 0.00 C +ATOM 54 CA PRO A 54 244.946 251.790 245.568 1.00 0.00 C +ATOM 55 CA GLN A 55 247.393 253.875 247.612 1.00 0.00 C +ATOM 56 CA GLN A 56 249.293 256.075 250.075 1.00 0.00 C +ATOM 57 CA LYS A 57 250.255 259.759 250.203 1.00 0.00 C +ATOM 58 CA LEU A 58 253.631 260.005 251.952 1.00 0.00 C +ATOM 59 CA LYS A 59 255.488 263.230 251.132 1.00 0.00 C +ATOM 60 CA THR A 60 257.159 262.974 247.718 1.00 0.00 C +ATOM 61 CA ARG A 61 259.467 265.078 245.535 1.00 0.00 C +ATOM 62 CA ARG A 62 263.148 264.295 246.129 1.00 0.00 C +ATOM 63 CA VAL A 63 265.976 262.408 247.849 1.00 0.00 C +ATOM 64 CA ILE A 64 267.713 259.111 248.638 1.00 0.00 C +ATOM 65 CA GLY A 65 270.664 257.997 246.501 1.00 0.00 C +ATOM 66 CA ARG A 66 273.840 260.102 246.477 1.00 0.00 C +ATOM 67 CA GLY A 67 276.399 259.520 243.715 1.00 0.00 C +ATOM 68 CA GLY A 68 277.321 259.404 240.020 1.00 0.00 C +ATOM 69 CA LEU A 69 278.357 257.094 237.173 1.00 0.00 C +ATOM 70 CA GLU A 70 279.838 258.127 233.818 1.00 0.00 C +ATOM 71 CA GLU A 71 282.581 256.434 231.788 1.00 0.00 C +ATOM 72 CA GLY A 72 282.073 252.690 231.298 1.00 0.00 C +ATOM 73 CA ARG A 73 279.165 250.684 229.870 1.00 0.00 C +ATOM 74 CA ALA A 74 280.464 247.813 227.728 1.00 0.00 C +ATOM 75 CA GLY A 75 279.438 247.023 224.145 1.00 0.00 C +ATOM 76 CA ALA A 76 281.835 247.807 221.289 1.00 0.00 C +TER 77 ALA A 76 +END diff --git a/Mammals/Q62618/Q62618.dcd b/Mammals/Q62618/Q62618.dcd new file mode 100644 index 0000000000000000000000000000000000000000..b8e8ff6f3810dc2e6517bb6e5edc70b29ba8f4cd --- /dev/null +++ b/Mammals/Q62618/Q62618.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2590eb0e813de34b6b65431f38dfb37264bb852df7f98c3fa7506ba4e7fcc244 +size 7520276 diff --git a/Mammals/Q62618/top.pdb b/Mammals/Q62618/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ccfffc0efadf7cfcbeab23c38a60d48adebf4a29 --- /dev/null +++ b/Mammals/Q62618/top.pdb @@ -0,0 +1,60 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 250.177 268.868 288.280 1.00 0.00 C +ATOM 2 CA SER A 2 248.902 265.536 289.616 1.00 0.00 C +ATOM 3 CA ASP A 3 250.934 262.913 287.743 1.00 0.00 C +ATOM 4 CA GLU A 4 252.806 259.668 288.437 1.00 0.00 C +ATOM 5 CA GLU A 5 251.691 256.044 288.815 1.00 0.00 C +ATOM 6 CA THR A 6 249.326 253.659 287.016 1.00 0.00 C +ATOM 7 CA GLU A 7 250.952 250.434 285.803 1.00 0.00 C +ATOM 8 CA GLN A 8 253.545 251.363 283.171 1.00 0.00 C +ATOM 9 CA VAL A 9 252.422 252.532 279.723 1.00 0.00 C +ATOM 10 CA GLU A 10 248.642 252.209 279.372 1.00 0.00 C +ATOM 11 CA GLU A 11 245.262 252.748 277.697 1.00 0.00 C +ATOM 12 CA GLN A 12 243.823 256.198 278.432 1.00 0.00 C +ATOM 13 CA TYR A 13 245.113 259.764 278.798 1.00 0.00 C +ATOM 14 CA GLU A 14 245.559 262.356 281.554 1.00 0.00 C +ATOM 15 CA GLU A 15 243.417 265.429 282.250 1.00 0.00 C +ATOM 16 CA GLU A 16 244.239 268.068 279.628 1.00 0.00 C +ATOM 17 CA GLU A 17 245.715 268.498 276.142 1.00 0.00 C +ATOM 18 CA GLU A 18 245.780 270.457 272.875 1.00 0.00 C +ATOM 19 CA ALA A 19 242.733 269.348 270.874 1.00 0.00 C +ATOM 20 CA GLN A 20 242.870 270.852 267.376 1.00 0.00 C +ATOM 21 CA GLU A 21 243.950 270.940 263.723 1.00 0.00 C +ATOM 22 CA GLU A 22 246.813 271.607 261.299 1.00 0.00 C +ATOM 23 CA GLU A 23 250.221 269.905 261.224 1.00 0.00 C +ATOM 24 CA VAL A 24 251.652 266.717 259.705 1.00 0.00 C +ATOM 25 CA GLN A 25 250.475 263.094 259.632 1.00 0.00 C +ATOM 26 CA GLU A 26 250.178 259.302 259.426 1.00 0.00 C +ATOM 27 CA GLU A 27 250.057 256.424 256.932 1.00 0.00 C +ATOM 28 CA GLU A 28 251.975 257.320 253.764 1.00 0.00 C +ATOM 29 CA GLU A 29 253.470 257.213 250.261 1.00 0.00 C +ATOM 30 CA VAL A 30 257.186 256.828 249.512 1.00 0.00 C +ATOM 31 CA GLN A 31 257.942 257.574 245.853 1.00 0.00 C +ATOM 32 CA GLU A 32 258.217 254.348 243.845 1.00 0.00 C +ATOM 33 CA ASP A 33 258.184 250.565 244.300 1.00 0.00 C +ATOM 34 CA ALA A 34 256.428 248.242 241.845 1.00 0.00 C +ATOM 35 CA VAL A 35 255.250 244.773 240.797 1.00 0.00 C +ATOM 36 CA ALA A 36 255.006 243.001 237.432 1.00 0.00 C +ATOM 37 CA GLU A 37 254.259 240.183 234.980 1.00 0.00 C +ATOM 38 CA GLU A 38 255.641 237.313 232.890 1.00 0.00 C +ATOM 39 CA GLU A 39 253.741 235.712 230.002 1.00 0.00 C +ATOM 40 CA ARG A 40 250.149 235.383 228.775 1.00 0.00 C +ATOM 41 CA GLU A 41 247.372 236.734 226.544 1.00 0.00 C +ATOM 42 CA GLU A 42 246.509 240.426 226.172 1.00 0.00 C +ATOM 43 CA ASP A 43 245.062 241.137 222.719 1.00 0.00 C +ATOM 44 CA GLU A 44 245.887 239.345 219.460 1.00 0.00 C +ATOM 45 CA GLU A 45 246.935 236.468 217.193 1.00 0.00 C +ATOM 46 CA GLU A 46 247.027 233.181 215.269 1.00 0.00 C +ATOM 47 CA GLU A 47 246.059 233.020 211.588 1.00 0.00 C +ATOM 48 CA LYS A 48 245.112 231.038 208.475 1.00 0.00 C +ATOM 49 CA PRO A 49 244.821 227.606 206.846 1.00 0.00 C +ATOM 50 CA ARG A 50 247.254 227.264 203.935 1.00 0.00 C +ATOM 51 CA PRO A 51 250.806 228.638 204.063 1.00 0.00 C +ATOM 52 CA LYS A 52 253.900 226.534 204.781 1.00 0.00 C +ATOM 53 CA LEU A 53 254.942 226.180 208.428 1.00 0.00 C +ATOM 54 CA THR A 54 253.345 224.851 211.622 1.00 0.00 C +ATOM 55 CA ALA A 55 254.422 226.398 214.933 1.00 0.00 C +ATOM 56 CA PRO A 56 255.848 227.798 218.177 1.00 0.00 C +TER 57 PRO A 56 +END diff --git a/Mammals/Q62620/Q62620.dcd b/Mammals/Q62620/Q62620.dcd new file mode 100644 index 0000000000000000000000000000000000000000..26d317973fc3dab01bd920c89670251e04820e63 --- /dev/null +++ b/Mammals/Q62620/Q62620.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6f8421fd1ac89dbeb2a08ba7175954b1ad0d39aed43377cd9022d61bfe006ed7 +size 5360276 diff --git a/Mammals/Q62620/top.pdb b/Mammals/Q62620/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..248490e09a7046e7dd715f61d848abcd0b401239 --- /dev/null +++ b/Mammals/Q62620/top.pdb @@ -0,0 +1,42 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 275.356 244.868 272.561 1.00 0.00 C +ATOM 2 CA SER A 2 271.629 245.513 272.102 1.00 0.00 C +ATOM 3 CA ASP A 3 270.747 249.157 271.424 1.00 0.00 C +ATOM 4 CA GLU A 4 271.908 251.107 268.363 1.00 0.00 C +ATOM 5 CA GLU A 5 272.933 251.505 264.715 1.00 0.00 C +ATOM 6 CA THR A 6 273.402 248.668 262.216 1.00 0.00 C +ATOM 7 CA GLU A 7 270.636 246.051 262.080 1.00 0.00 C +ATOM 8 CA GLN A 8 268.638 246.220 258.841 1.00 0.00 C +ATOM 9 CA VAL A 9 269.404 249.116 256.486 1.00 0.00 C +ATOM 10 CA GLU A 10 266.975 252.042 256.726 1.00 0.00 C +ATOM 11 CA GLU A 11 263.475 253.134 257.761 1.00 0.00 C +ATOM 12 CA GLN A 12 261.294 250.010 257.731 1.00 0.00 C +ATOM 13 CA TYR A 13 257.846 249.132 256.370 1.00 0.00 C +ATOM 14 CA GLU A 14 254.932 246.793 255.624 1.00 0.00 C +ATOM 15 CA GLU A 15 251.693 247.498 253.746 1.00 0.00 C +ATOM 16 CA GLU A 16 248.933 249.921 252.732 1.00 0.00 C +ATOM 17 CA GLU A 17 245.145 249.853 252.331 1.00 0.00 C +ATOM 18 CA GLU A 18 241.445 249.002 252.017 1.00 0.00 C +ATOM 19 CA ALA A 19 238.823 246.452 250.948 1.00 0.00 C +ATOM 20 CA GLN A 20 237.329 245.558 247.559 1.00 0.00 C +ATOM 21 CA GLU A 21 234.778 248.240 246.656 1.00 0.00 C +ATOM 22 CA GLU A 22 232.151 249.453 244.178 1.00 0.00 C +ATOM 23 CA GLU A 23 229.679 249.437 241.279 1.00 0.00 C +ATOM 24 CA GLU A 24 227.357 247.302 239.143 1.00 0.00 C +ATOM 25 CA VAL A 25 227.648 244.165 236.999 1.00 0.00 C +ATOM 26 CA GLN A 26 229.903 241.133 236.519 1.00 0.00 C +ATOM 27 CA GLU A 27 233.113 241.709 234.548 1.00 0.00 C +ATOM 28 CA GLU A 28 233.402 245.459 233.942 1.00 0.00 C +ATOM 29 CA GLU A 29 235.442 248.635 234.464 1.00 0.00 C +ATOM 30 CA LYS A 30 237.836 251.517 233.775 1.00 0.00 C +ATOM 31 CA PRO A 31 240.150 254.481 234.388 1.00 0.00 C +ATOM 32 CA ARG A 32 240.268 257.944 235.972 1.00 0.00 C +ATOM 33 CA PRO A 33 240.807 258.699 239.667 1.00 0.00 C +ATOM 34 CA LYS A 34 244.190 259.911 240.931 1.00 0.00 C +ATOM 35 CA LEU A 35 246.642 257.249 242.123 1.00 0.00 C +ATOM 36 CA THR A 36 248.646 258.120 245.244 1.00 0.00 C +ATOM 37 CA ALA A 37 251.293 258.307 247.978 1.00 0.00 C +ATOM 38 CA PRO A 38 254.153 256.639 249.863 1.00 0.00 C +TER 39 PRO A 38 +END diff --git a/Mammals/Q62882/Q62882.dcd b/Mammals/Q62882/Q62882.dcd new file mode 100644 index 0000000000000000000000000000000000000000..aaec9fb830d44d2805e16649d7cf9482ca1282ab --- /dev/null +++ b/Mammals/Q62882/Q62882.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e75c1876ec44f67e91bee3ebc83d659ea2b4d4e5fd805c47da8a7687057f2925 +size 17480276 diff --git a/Mammals/Q62882/top.pdb b/Mammals/Q62882/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3461c7ea61ad5aeac02ef8652197e9f672962fda --- /dev/null +++ b/Mammals/Q62882/top.pdb @@ -0,0 +1,143 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 242.640 235.005 264.818 1.00 0.00 C +ATOM 2 CA SER A 2 241.755 236.513 268.203 1.00 0.00 C +ATOM 3 CA PHE A 3 241.754 234.172 271.208 1.00 0.00 C +ATOM 4 CA SER A 4 244.507 234.492 273.823 1.00 0.00 C +ATOM 5 CA ILE A 5 247.037 236.811 275.478 1.00 0.00 C +ATOM 6 CA LYS A 6 248.314 240.137 276.829 1.00 0.00 C +ATOM 7 CA LYS A 7 247.838 243.864 277.460 1.00 0.00 C +ATOM 8 CA LYS A 8 248.909 245.799 274.358 1.00 0.00 C +ATOM 9 CA LYS A 9 248.781 249.510 273.504 1.00 0.00 C +ATOM 10 CA LYS A 10 250.098 250.305 270.019 1.00 0.00 C +ATOM 11 CA PRO A 11 253.871 250.830 269.991 1.00 0.00 C +ATOM 12 CA LEU A 12 255.999 247.827 269.005 1.00 0.00 C +ATOM 13 CA PRO A 13 255.796 245.956 265.693 1.00 0.00 C +ATOM 14 CA SER A 14 254.863 247.944 262.579 1.00 0.00 C +ATOM 15 CA PHE A 15 255.028 251.744 262.371 1.00 0.00 C +ATOM 16 CA PRO A 16 258.151 253.575 261.183 1.00 0.00 C +ATOM 17 CA GLY A 17 260.163 255.479 263.799 1.00 0.00 C +ATOM 18 CA TYR A 18 262.138 258.678 263.180 1.00 0.00 C +ATOM 19 CA ARG A 19 260.400 260.962 260.674 1.00 0.00 C +ATOM 20 CA ASP A 20 258.564 264.280 260.305 1.00 0.00 C +ATOM 21 CA ARG A 21 257.349 267.834 259.666 1.00 0.00 C +ATOM 22 CA SER A 22 254.342 269.823 260.899 1.00 0.00 C +ATOM 23 CA TYR A 23 255.148 271.496 264.226 1.00 0.00 C +ATOM 24 CA ASP A 24 254.683 269.377 267.357 1.00 0.00 C +ATOM 25 CA PRO A 25 252.438 271.162 269.866 1.00 0.00 C +ATOM 26 CA PRO A 26 250.348 273.913 268.260 1.00 0.00 C +ATOM 27 CA CYS A 27 247.533 275.016 265.942 1.00 0.00 C +ATOM 28 CA PRO A 28 245.174 272.026 265.830 1.00 0.00 C +ATOM 29 CA GLY A 29 242.743 271.823 268.757 1.00 0.00 C +ATOM 30 CA HIS A 30 242.538 268.173 269.828 1.00 0.00 C +ATOM 31 CA TRP A 31 244.752 265.162 270.566 1.00 0.00 C +ATOM 32 CA THR A 32 248.540 264.767 270.697 1.00 0.00 C +ATOM 33 CA PRO A 33 249.545 262.225 268.044 1.00 0.00 C +ATOM 34 CA GLU A 34 248.015 259.014 266.678 1.00 0.00 C +ATOM 35 CA ALA A 35 250.468 257.488 264.194 1.00 0.00 C +ATOM 36 CA PRO A 36 249.181 254.729 261.902 1.00 0.00 C +ATOM 37 CA SER A 37 246.794 254.961 258.941 1.00 0.00 C +ATOM 38 CA SER A 38 245.140 252.580 256.469 1.00 0.00 C +ATOM 39 CA GLY A 39 247.256 252.817 253.309 1.00 0.00 C +ATOM 40 CA THR A 40 247.321 252.353 249.528 1.00 0.00 C +ATOM 41 CA THR A 41 245.239 250.548 246.896 1.00 0.00 C +ATOM 42 CA CYS A 42 243.304 247.935 244.910 1.00 0.00 C +ATOM 43 CA PRO A 43 245.672 245.249 243.607 1.00 0.00 C +ATOM 44 CA GLY A 44 245.846 243.801 240.088 1.00 0.00 C +ATOM 45 CA LEU A 45 248.171 241.091 238.758 1.00 0.00 C +ATOM 46 CA PRO A 46 248.928 238.414 241.361 1.00 0.00 C +ATOM 47 CA ARG A 47 251.269 235.410 241.247 1.00 0.00 C +ATOM 48 CA ALA A 48 251.604 233.352 244.436 1.00 0.00 C +ATOM 49 CA SER A 49 251.133 235.085 247.796 1.00 0.00 C +ATOM 50 CA GLU A 50 248.661 233.802 250.397 1.00 0.00 C +ATOM 51 CA GLU A 51 249.433 230.437 252.007 1.00 0.00 C +ATOM 52 CA GLU A 52 248.575 230.884 255.692 1.00 0.00 C +ATOM 53 CA GLU A 53 248.206 227.491 257.387 1.00 0.00 C +ATOM 54 CA ILE A 54 246.686 224.131 258.342 1.00 0.00 C +ATOM 55 CA GLY A 55 247.024 221.947 261.445 1.00 0.00 C +ATOM 56 CA GLY A 56 248.497 219.140 263.558 1.00 0.00 C +ATOM 57 CA PRO A 57 250.494 216.032 262.624 1.00 0.00 C +ATOM 58 CA GLU A 58 249.413 212.895 260.752 1.00 0.00 C +ATOM 59 CA ASP A 59 245.947 211.658 261.740 1.00 0.00 C +ATOM 60 CA SER A 60 244.096 209.018 263.769 1.00 0.00 C +ATOM 61 CA GLU A 61 242.120 205.761 263.752 1.00 0.00 C +ATOM 62 CA ALA A 62 242.346 204.101 260.330 1.00 0.00 C +ATOM 63 CA VAL A 63 239.264 202.473 258.791 1.00 0.00 C +ATOM 64 CA GLN A 64 236.996 205.371 257.804 1.00 0.00 C +ATOM 65 CA PRO A 65 233.620 204.251 256.439 1.00 0.00 C +ATOM 66 CA ARG A 66 232.968 205.181 252.802 1.00 0.00 C +ATOM 67 CA THR A 67 234.729 206.567 249.721 1.00 0.00 C +ATOM 68 CA PRO A 68 237.736 207.884 247.787 1.00 0.00 C +ATOM 69 CA GLU A 69 238.898 211.102 249.463 1.00 0.00 C +ATOM 70 CA GLU A 70 240.389 214.574 249.950 1.00 0.00 C +ATOM 71 CA PRO A 71 241.832 217.587 248.116 1.00 0.00 C +ATOM 72 CA GLU A 72 242.522 220.312 250.688 1.00 0.00 C +ATOM 73 CA LEU A 73 240.490 223.201 252.114 1.00 0.00 C +ATOM 74 CA GLU A 74 237.116 224.783 251.318 1.00 0.00 C +ATOM 75 CA ALA A 75 235.900 228.374 251.697 1.00 0.00 C +ATOM 76 CA GLU A 76 234.221 231.791 251.555 1.00 0.00 C +ATOM 77 CA ALA A 77 236.178 235.017 252.087 1.00 0.00 C +ATOM 78 CA THR A 78 238.547 237.128 254.195 1.00 0.00 C +ATOM 79 CA LYS A 79 242.107 238.444 253.859 1.00 0.00 C +ATOM 80 CA GLY A 80 245.532 239.241 255.326 1.00 0.00 C +ATOM 81 CA ASP A 81 248.037 241.886 254.211 1.00 0.00 C +ATOM 82 CA GLU A 82 250.380 243.427 256.791 1.00 0.00 C +ATOM 83 CA PRO A 83 252.225 246.758 256.928 1.00 0.00 C +ATOM 84 CA ASP A 84 254.533 249.645 256.003 1.00 0.00 C +ATOM 85 CA LEU A 85 253.752 252.005 253.116 1.00 0.00 C +ATOM 86 CA GLU A 86 253.019 255.624 252.179 1.00 0.00 C +ATOM 87 CA GLN A 87 255.693 256.601 249.647 1.00 0.00 C +ATOM 88 CA GLU A 88 253.857 258.511 246.909 1.00 0.00 C +ATOM 89 CA MET A 89 252.366 259.410 243.520 1.00 0.00 C +ATOM 90 CA GLU A 90 249.534 261.771 242.561 1.00 0.00 C +ATOM 91 CA PRO A 91 247.822 260.802 239.299 1.00 0.00 C +ATOM 92 CA GLU A 92 244.073 260.594 238.653 1.00 0.00 C +ATOM 93 CA PRO A 93 241.566 258.246 240.300 1.00 0.00 C +ATOM 94 CA GLU A 94 240.258 258.501 243.870 1.00 0.00 C +ATOM 95 CA PRO A 95 242.049 259.199 247.160 1.00 0.00 C +ATOM 96 CA GLU A 96 245.478 260.637 247.988 1.00 0.00 C +ATOM 97 CA VAL A 97 245.381 264.445 248.041 1.00 0.00 C +ATOM 98 CA GLU A 98 246.816 266.855 250.619 1.00 0.00 C +ATOM 99 CA PRO A 99 250.486 267.860 250.418 1.00 0.00 C +ATOM 100 CA GLU A 100 251.617 268.122 246.789 1.00 0.00 C +ATOM 101 CA PRO A 101 254.747 270.288 246.952 1.00 0.00 C +ATOM 102 CA GLU A 102 257.064 272.461 244.849 1.00 0.00 C +ATOM 103 CA PRO A 103 259.971 274.493 243.457 1.00 0.00 C +ATOM 104 CA GLU A 104 262.325 271.932 241.902 1.00 0.00 C +ATOM 105 CA PRO A 105 264.050 272.375 238.534 1.00 0.00 C +ATOM 106 CA GLU A 106 264.224 270.084 235.495 1.00 0.00 C +ATOM 107 CA PRO A 107 262.968 271.187 232.071 1.00 0.00 C +ATOM 108 CA GLU A 108 260.346 270.987 229.314 1.00 0.00 C +ATOM 109 CA PRO A 109 257.415 269.183 227.681 1.00 0.00 C +ATOM 110 CA GLU A 110 255.398 266.057 228.501 1.00 0.00 C +ATOM 111 CA PRO A 111 252.171 264.920 230.178 1.00 0.00 C +ATOM 112 CA GLU A 112 248.865 265.990 231.740 1.00 0.00 C +ATOM 113 CA PRO A 113 248.937 265.880 235.548 1.00 0.00 C +ATOM 114 CA GLU A 114 252.244 266.883 237.154 1.00 0.00 C +ATOM 115 CA PRO A 115 255.856 266.155 238.122 1.00 0.00 C +ATOM 116 CA GLU A 116 257.494 266.321 241.558 1.00 0.00 C +ATOM 117 CA PRO A 117 261.106 265.281 240.935 1.00 0.00 C +ATOM 118 CA GLU A 118 262.532 262.001 239.624 1.00 0.00 C +ATOM 119 CA PRO A 119 263.476 260.768 236.145 1.00 0.00 C +ATOM 120 CA GLU A 120 261.215 261.902 233.297 1.00 0.00 C +ATOM 121 CA PRO A 121 258.650 259.465 231.883 1.00 0.00 C +ATOM 122 CA GLU A 122 259.198 259.342 228.115 1.00 0.00 C +ATOM 123 CA ARG A 123 259.391 256.178 226.000 1.00 0.00 C +ATOM 124 CA GLU A 124 260.951 254.391 223.018 1.00 0.00 C +ATOM 125 CA PRO A 125 262.514 256.969 220.688 1.00 0.00 C +ATOM 126 CA ASP A 126 262.801 258.167 217.083 1.00 0.00 C +ATOM 127 CA PHE A 127 262.019 261.884 216.778 1.00 0.00 C +ATOM 128 CA GLN A 128 259.377 263.370 214.470 1.00 0.00 C +ATOM 129 CA GLU A 129 256.611 264.781 216.678 1.00 0.00 C +ATOM 130 CA GLY A 130 256.590 265.032 220.480 1.00 0.00 C +ATOM 131 CA ASP A 131 254.999 268.344 221.487 1.00 0.00 C +ATOM 132 CA GLU A 132 251.854 267.524 223.475 1.00 0.00 C +ATOM 133 CA SER A 133 249.232 270.003 224.698 1.00 0.00 C +ATOM 134 CA GLU A 134 250.089 271.844 227.922 1.00 0.00 C +ATOM 135 CA GLY A 135 250.348 272.138 231.711 1.00 0.00 C +ATOM 136 CA CYS A 136 252.030 274.227 234.418 1.00 0.00 C +ATOM 137 CA GLU A 137 252.592 273.787 238.160 1.00 0.00 C +ATOM 138 CA ASN A 138 252.235 271.557 241.229 1.00 0.00 C +ATOM 139 CA THR A 139 249.552 272.862 243.599 1.00 0.00 C +TER 140 THR A 139 +END diff --git a/Mammals/Q63192/Q63192.dcd b/Mammals/Q63192/Q63192.dcd new file mode 100644 index 0000000000000000000000000000000000000000..1836bbd25c883658bd0fdbc315753bbe7abb9b1e --- /dev/null +++ b/Mammals/Q63192/Q63192.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:db65e65e0943cfec3e37c13576de8801527e7c2399ad8562dc704905dfaafc32 +size 6320276 diff --git a/Mammals/Q63192/top.pdb b/Mammals/Q63192/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5ad0f803491ccd49cbdb71120ff24150bcdcec93 --- /dev/null +++ b/Mammals/Q63192/top.pdb @@ -0,0 +1,50 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 260.170 268.143 252.334 1.00 0.00 C +ATOM 2 CA PRO A 2 262.654 267.636 255.178 1.00 0.00 C +ATOM 3 CA CYS A 3 263.435 263.942 255.695 1.00 0.00 C +ATOM 4 CA HIS A 4 263.073 261.225 258.341 1.00 0.00 C +ATOM 5 CA ARG A 5 259.900 259.124 258.533 1.00 0.00 C +ATOM 6 CA GLU A 6 260.226 255.491 257.433 1.00 0.00 C +ATOM 7 CA ASP A 7 256.673 254.118 257.510 1.00 0.00 C +ATOM 8 CA ARG A 8 253.819 256.168 258.980 1.00 0.00 C +ATOM 9 CA THR A 9 251.399 259.065 258.458 1.00 0.00 C +ATOM 10 CA PRO A 10 248.581 259.163 255.896 1.00 0.00 C +ATOM 11 CA GLN A 11 246.254 261.695 254.257 1.00 0.00 C +ATOM 12 CA ARG A 12 247.067 264.138 251.448 1.00 0.00 C +ATOM 13 CA ARG A 13 246.659 263.694 247.686 1.00 0.00 C +ATOM 14 CA THR A 14 247.206 264.906 244.115 1.00 0.00 C +ATOM 15 CA GLY A 15 250.801 265.417 242.962 1.00 0.00 C +ATOM 16 CA TYR A 16 252.920 262.351 242.168 1.00 0.00 C +ATOM 17 CA HIS A 17 252.048 258.962 240.662 1.00 0.00 C +ATOM 18 CA GLN A 18 249.547 256.140 240.113 1.00 0.00 C +ATOM 19 CA GLY A 19 248.341 252.699 239.008 1.00 0.00 C +ATOM 20 CA ASP A 20 247.229 250.085 236.470 1.00 0.00 C +ATOM 21 CA ARG A 21 248.333 248.507 233.183 1.00 0.00 C +ATOM 22 CA THR A 22 251.101 250.208 231.193 1.00 0.00 C +ATOM 23 CA PRO A 23 253.643 247.923 229.511 1.00 0.00 C +ATOM 24 CA PRO A 24 254.871 245.255 231.938 1.00 0.00 C +ATOM 25 CA TRP A 25 253.460 241.877 230.885 1.00 0.00 C +ATOM 26 CA LYS A 26 250.550 240.280 232.755 1.00 0.00 C +ATOM 27 CA ILE A 27 249.825 239.041 236.284 1.00 0.00 C +ATOM 28 CA GLY A 28 248.416 240.063 239.673 1.00 0.00 C +ATOM 29 CA TYR A 29 247.716 242.542 242.481 1.00 0.00 C +ATOM 30 CA LEU A 30 247.763 246.337 242.813 1.00 0.00 C +ATOM 31 CA GLN A 31 248.804 247.549 246.272 1.00 0.00 C +ATOM 32 CA GLU A 32 251.497 245.438 247.947 1.00 0.00 C +ATOM 33 CA ASP A 33 253.708 247.690 250.081 1.00 0.00 C +ATOM 34 CA ARG A 34 251.873 248.361 253.352 1.00 0.00 C +ATOM 35 CA MET A 35 250.579 249.160 256.845 1.00 0.00 C +ATOM 36 CA PRO A 36 250.385 250.826 260.266 1.00 0.00 C +ATOM 37 CA PRO A 37 248.258 249.245 263.003 1.00 0.00 C +ATOM 38 CA ARG A 38 247.211 245.737 264.059 1.00 0.00 C +ATOM 39 CA GLN A 39 245.966 242.140 264.222 1.00 0.00 C +ATOM 40 CA PRO A 40 243.693 241.068 261.359 1.00 0.00 C +ATOM 41 CA TRP A 41 244.970 237.622 260.353 1.00 0.00 C +ATOM 42 CA ASP A 42 242.243 235.111 261.235 1.00 0.00 C +ATOM 43 CA SER A 43 240.261 231.880 261.627 1.00 0.00 C +ATOM 44 CA GLY A 44 238.827 228.423 262.337 1.00 0.00 C +ATOM 45 CA LYS A 45 235.428 226.976 263.270 1.00 0.00 C +ATOM 46 CA HIS A 46 232.618 226.581 265.811 1.00 0.00 C +TER 47 HIS A 46 +END diff --git a/Mammals/Q63281/Q63281.dcd b/Mammals/Q63281/Q63281.dcd new file mode 100644 index 0000000000000000000000000000000000000000..42473f0d3ece2f797dc0a6a91d7e9216225749dd --- /dev/null +++ b/Mammals/Q63281/Q63281.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8a69cf8feb949c7e642fb39bece76ee74f7770b73aa6b9d46aa06447e8ceeaaf +size 5960276 diff --git a/Mammals/Q63281/top.pdb b/Mammals/Q63281/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..374426e05602d50aa7abb04ecc9a036f2752bea4 --- /dev/null +++ b/Mammals/Q63281/top.pdb @@ -0,0 +1,47 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LEU A 1 262.959 283.112 217.842 1.00 0.00 C +ATOM 2 CA SER A 2 259.480 281.871 216.908 1.00 0.00 C +ATOM 3 CA VAL A 3 257.779 280.005 219.762 1.00 0.00 C +ATOM 4 CA GLY A 4 257.552 276.207 219.955 1.00 0.00 C +ATOM 5 CA GLY A 5 256.127 272.674 220.009 1.00 0.00 C +ATOM 6 CA SER A 6 254.075 269.762 218.658 1.00 0.00 C +ATOM 7 CA GLY A 7 252.101 266.951 217.010 1.00 0.00 C +ATOM 8 CA PHE A 8 251.988 263.839 219.205 1.00 0.00 C +ATOM 9 CA SER A 9 250.696 264.346 222.754 1.00 0.00 C +ATOM 10 CA ALA A 10 249.232 261.333 224.568 1.00 0.00 C +ATOM 11 CA SER A 11 247.916 260.168 227.948 1.00 0.00 C +ATOM 12 CA SER A 12 249.868 260.162 231.220 1.00 0.00 C +ATOM 13 CA GLY A 13 250.355 261.950 234.549 1.00 0.00 C +ATOM 14 CA GLN A 14 249.770 261.174 238.233 1.00 0.00 C +ATOM 15 CA GLY A 15 249.740 260.273 241.935 1.00 0.00 C +ATOM 16 CA GLY A 16 246.670 258.854 243.689 1.00 0.00 C +ATOM 17 CA GLY A 17 243.235 259.082 242.059 1.00 0.00 C +ATOM 18 CA PHE A 18 240.634 259.540 244.805 1.00 0.00 C +ATOM 19 CA SER A 19 241.220 256.740 247.322 1.00 0.00 C +ATOM 20 CA SER A 20 244.197 254.612 248.383 1.00 0.00 C +ATOM 21 CA GLY A 21 244.156 251.021 249.656 1.00 0.00 C +ATOM 22 CA GLY A 22 247.007 250.226 252.055 1.00 0.00 C +ATOM 23 CA GLY A 23 248.268 246.631 252.045 1.00 0.00 C +ATOM 24 CA SER A 24 246.365 243.389 252.668 1.00 0.00 C +ATOM 25 CA SER A 25 248.716 240.633 253.846 1.00 0.00 C +ATOM 26 CA SER A 26 247.085 237.393 255.013 1.00 0.00 C +ATOM 27 CA SER A 27 248.589 235.440 257.918 1.00 0.00 C +ATOM 28 CA VAL A 28 252.131 234.039 258.007 1.00 0.00 C +ATOM 29 CA LYS A 29 253.792 231.993 260.758 1.00 0.00 C +ATOM 30 CA PHE A 30 252.603 229.943 263.742 1.00 0.00 C +ATOM 31 CA VAL A 31 254.286 229.336 267.106 1.00 0.00 C +ATOM 32 CA SER A 32 254.615 229.787 270.875 1.00 0.00 C +ATOM 33 CA THR A 33 252.263 231.013 273.609 1.00 0.00 C +ATOM 34 CA THR A 34 248.577 230.914 274.569 1.00 0.00 C +ATOM 35 CA SER A 35 245.974 228.133 274.627 1.00 0.00 C +ATOM 36 CA SER A 36 246.131 226.713 278.159 1.00 0.00 C +ATOM 37 CA SER A 37 246.927 229.201 280.932 1.00 0.00 C +ATOM 38 CA ARG A 38 246.792 232.950 280.264 1.00 0.00 C +ATOM 39 CA ARG A 39 246.345 236.508 281.551 1.00 0.00 C +ATOM 40 CA SER A 40 249.781 237.810 282.558 1.00 0.00 C +ATOM 41 CA PHE A 41 251.671 240.639 280.843 1.00 0.00 C +ATOM 42 CA LYS A 42 249.942 241.132 277.484 1.00 0.00 C +ATOM 43 CA SER A 43 252.391 242.498 274.905 1.00 0.00 C +TER 44 SER A 43 +END diff --git a/Mammals/Q63326/Q63326.dcd b/Mammals/Q63326/Q63326.dcd new file mode 100644 index 0000000000000000000000000000000000000000..4f4b219cf2802dbcc96cf43a70acd76e9e3c20bf --- /dev/null +++ b/Mammals/Q63326/Q63326.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1d0d9f6c7393170d48fd91aead5f043be38e5bdf1ab8155bf9a5c416eda9219e +size 8240276 diff --git a/Mammals/Q63326/top.pdb b/Mammals/Q63326/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e949ba6108e31caa3bd7f194d7e4f68d95992697 --- /dev/null +++ b/Mammals/Q63326/top.pdb @@ -0,0 +1,66 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 270.201 293.253 216.076 1.00 0.00 C +ATOM 2 CA ASP A 2 268.695 290.353 214.116 1.00 0.00 C +ATOM 3 CA PRO A 3 269.427 287.223 216.161 1.00 0.00 C +ATOM 4 CA ARG A 4 269.942 284.338 218.596 1.00 0.00 C +ATOM 5 CA ALA A 5 270.527 283.872 222.331 1.00 0.00 C +ATOM 6 CA PRO A 6 271.951 284.549 225.800 1.00 0.00 C +ATOM 7 CA ARG A 7 272.784 283.716 229.423 1.00 0.00 C +ATOM 8 CA ARG A 8 272.037 285.495 232.709 1.00 0.00 C +ATOM 9 CA ARG A 9 269.493 283.267 234.463 1.00 0.00 C +ATOM 10 CA HIS A 10 268.414 281.491 237.657 1.00 0.00 C +ATOM 11 CA THR A 11 266.483 278.208 237.762 1.00 0.00 C +ATOM 12 CA HIS A 12 263.342 277.202 239.669 1.00 0.00 C +ATOM 13 CA GLN A 13 261.542 275.337 242.461 1.00 0.00 C +ATOM 14 CA ARG A 14 262.761 272.579 244.789 1.00 0.00 C +ATOM 15 CA GLY A 15 262.080 269.180 246.372 1.00 0.00 C +ATOM 16 CA TYR A 16 259.782 266.446 247.697 1.00 0.00 C +ATOM 17 CA LEU A 17 259.173 263.558 250.106 1.00 0.00 C +ATOM 18 CA LEU A 18 261.625 260.654 250.375 1.00 0.00 C +ATOM 19 CA THR A 19 264.076 259.295 252.956 1.00 0.00 C +ATOM 20 CA ARG A 20 265.413 256.943 255.639 1.00 0.00 C +ATOM 21 CA ASP A 21 264.629 254.549 258.498 1.00 0.00 C +ATOM 22 CA PRO A 22 265.439 252.281 261.450 1.00 0.00 C +ATOM 23 CA HIS A 23 266.144 248.761 260.176 1.00 0.00 C +ATOM 24 CA LEU A 24 266.807 246.596 263.240 1.00 0.00 C +ATOM 25 CA ASN A 25 265.705 244.775 266.401 1.00 0.00 C +ATOM 26 CA LYS A 26 262.780 242.334 266.428 1.00 0.00 C +ATOM 27 CA VAL A 27 262.014 238.923 264.912 1.00 0.00 C +ATOM 28 CA SER A 28 258.373 238.881 263.793 1.00 0.00 C +ATOM 29 CA PRO A 29 256.951 239.343 260.289 1.00 0.00 C +ATOM 30 CA ALA A 30 256.400 236.057 258.441 1.00 0.00 C +ATOM 31 CA PRO A 31 253.203 234.407 257.188 1.00 0.00 C +ATOM 32 CA ARG A 32 250.591 234.922 259.913 1.00 0.00 C +ATOM 33 CA ALA A 33 249.400 238.520 260.299 1.00 0.00 C +ATOM 34 CA ALA A 34 246.130 239.327 258.516 1.00 0.00 C +ATOM 35 CA LEU A 35 243.712 240.399 255.774 1.00 0.00 C +ATOM 36 CA GLY A 36 240.819 237.922 255.858 1.00 0.00 C +ATOM 37 CA PRO A 37 240.087 235.515 258.719 1.00 0.00 C +ATOM 38 CA PRO A 38 241.653 233.448 261.510 1.00 0.00 C +ATOM 39 CA LEU A 39 239.518 232.281 264.443 1.00 0.00 C +ATOM 40 CA GLY A 40 238.077 230.381 267.414 1.00 0.00 C +ATOM 41 CA SER A 41 234.587 230.342 268.943 1.00 0.00 C +ATOM 42 CA GLY A 42 231.283 228.531 268.381 1.00 0.00 C +ATOM 43 CA THR A 43 231.378 224.770 268.982 1.00 0.00 C +ATOM 44 CA ARG A 44 233.089 222.212 266.735 1.00 0.00 C +ATOM 45 CA VAL A 45 234.471 223.051 263.285 1.00 0.00 C +ATOM 46 CA PRO A 46 233.911 223.163 259.518 1.00 0.00 C +ATOM 47 CA PRO A 47 231.981 224.651 256.589 1.00 0.00 C +ATOM 48 CA ARG A 48 230.584 226.022 253.320 1.00 0.00 C +ATOM 49 CA GLY A 49 232.503 228.428 251.074 1.00 0.00 C +ATOM 50 CA ARG A 50 234.637 230.876 253.067 1.00 0.00 C +ATOM 51 CA SER A 51 234.679 234.684 252.956 1.00 0.00 C +ATOM 52 CA HIS A 52 234.923 236.781 249.785 1.00 0.00 C +ATOM 53 CA PRO A 53 234.882 237.290 246.009 1.00 0.00 C +ATOM 54 CA GLY A 54 235.290 239.897 243.261 1.00 0.00 C +ATOM 55 CA GLY A 55 236.624 243.460 243.478 1.00 0.00 C +ATOM 56 CA HIS A 56 234.284 245.488 241.258 1.00 0.00 C +ATOM 57 CA CYS A 57 232.027 247.496 243.580 1.00 0.00 C +ATOM 58 CA GLY A 58 228.347 248.250 242.942 1.00 0.00 C +ATOM 59 CA ALA A 59 225.824 245.540 243.839 1.00 0.00 C +ATOM 60 CA GLY A 60 227.392 243.765 246.823 1.00 0.00 C +ATOM 61 CA ALA A 61 225.204 240.812 247.826 1.00 0.00 C +ATOM 62 CA ASN A 62 223.915 237.908 249.929 1.00 0.00 C +TER 63 ASN A 62 +END diff --git a/Mammals/Q63397/Q63397.dcd b/Mammals/Q63397/Q63397.dcd new file mode 100644 index 0000000000000000000000000000000000000000..59e69899b75d82e04630f84886098a680ccf886c --- /dev/null +++ b/Mammals/Q63397/Q63397.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:41e5a2a5f9f63314c20affeae37e62a72f2c00c2cdf82f93890e9264e83c1ac8 +size 5000276 diff --git a/Mammals/Q63397/top.pdb b/Mammals/Q63397/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2396606ade2056a661c521ad0f6acc971ac2f808 --- /dev/null +++ b/Mammals/Q63397/top.pdb @@ -0,0 +1,39 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLY A 1 215.171 251.773 254.560 1.00 0.00 C +ATOM 2 CA THR A 2 218.474 253.643 254.236 1.00 0.00 C +ATOM 3 CA ARG A 3 220.079 255.743 251.491 1.00 0.00 C +ATOM 4 CA ALA A 4 223.373 257.657 251.468 1.00 0.00 C +ATOM 5 CA THR A 5 226.529 255.525 251.563 1.00 0.00 C +ATOM 6 CA VAL A 6 228.884 252.594 250.945 1.00 0.00 C +ATOM 7 CA GLY A 7 231.510 250.778 253.024 1.00 0.00 C +ATOM 8 CA GLU A 8 234.458 251.346 255.369 1.00 0.00 C +ATOM 9 CA GLY A 9 237.373 253.019 253.575 1.00 0.00 C +ATOM 10 CA ARG A 10 240.354 250.787 254.382 1.00 0.00 C +ATOM 11 CA SER A 11 243.812 251.603 253.007 1.00 0.00 C +ATOM 12 CA ARG A 12 246.699 250.670 250.702 1.00 0.00 C +ATOM 13 CA LYS A 13 247.819 250.350 247.075 1.00 0.00 C +ATOM 14 CA VAL A 14 251.269 251.352 245.804 1.00 0.00 C +ATOM 15 CA THR A 15 254.806 250.591 244.612 1.00 0.00 C +ATOM 16 CA GLY A 16 256.039 248.782 241.493 1.00 0.00 C +ATOM 17 CA GLN A 17 258.376 251.028 239.490 1.00 0.00 C +ATOM 18 CA LYS A 18 260.818 249.280 237.146 1.00 0.00 C +ATOM 19 CA LYS A 19 262.111 245.887 238.300 1.00 0.00 C +ATOM 20 CA LEU A 20 261.374 242.192 238.866 1.00 0.00 C +ATOM 21 CA SER A 21 257.918 240.683 238.318 1.00 0.00 C +ATOM 22 CA PRO A 22 256.282 240.732 241.759 1.00 0.00 C +ATOM 23 CA HIS A 23 258.418 240.860 244.911 1.00 0.00 C +ATOM 24 CA HIS A 24 259.225 243.780 247.222 1.00 0.00 C +ATOM 25 CA HIS A 25 256.525 244.191 249.878 1.00 0.00 C +ATOM 26 CA LEU A 26 256.958 246.240 253.061 1.00 0.00 C +ATOM 27 CA THR A 27 259.681 248.350 254.689 1.00 0.00 C +ATOM 28 CA GLY A 28 259.996 252.146 254.745 1.00 0.00 C +ATOM 29 CA HIS A 29 262.746 253.987 252.856 1.00 0.00 C +ATOM 30 CA ASN A 30 265.766 256.046 251.781 1.00 0.00 C +ATOM 31 CA HIS A 31 268.009 257.205 254.634 1.00 0.00 C +ATOM 32 CA VAL A 32 267.474 254.969 257.672 1.00 0.00 C +ATOM 33 CA ARG A 33 266.353 251.744 259.363 1.00 0.00 C +ATOM 34 CA GLN A 34 268.244 248.449 259.657 1.00 0.00 C +ATOM 35 CA LYS A 35 267.074 246.017 262.346 1.00 0.00 C +TER 36 LYS A 35 +END diff --git a/Mammals/Q63512/Q63512.dcd b/Mammals/Q63512/Q63512.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e9b658d67d2e385736b8a6ec1ebf5fa71bf47cf2 --- /dev/null +++ b/Mammals/Q63512/Q63512.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e1378f8735f3c8a5636fef1f88b10adb08d8f1ad203e4c42f5312d7d983d7f97 +size 4520276 diff --git a/Mammals/Q63512/top.pdb b/Mammals/Q63512/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..27bb7200f5a352a2f88bb2eb11f8e0d218f5dd11 --- /dev/null +++ b/Mammals/Q63512/top.pdb @@ -0,0 +1,35 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 214.968 251.348 249.096 1.00 0.00 C +ATOM 2 CA SER A 2 216.272 247.897 248.143 1.00 0.00 C +ATOM 3 CA SER A 3 219.396 245.718 248.236 1.00 0.00 C +ATOM 4 CA LYS A 4 222.718 245.736 250.102 1.00 0.00 C +ATOM 5 CA LYS A 5 226.407 245.570 251.041 1.00 0.00 C +ATOM 6 CA ALA A 6 230.037 244.755 250.219 1.00 0.00 C +ATOM 7 CA LYS A 7 233.567 243.469 250.849 1.00 0.00 C +ATOM 8 CA THR A 8 236.961 243.726 252.562 1.00 0.00 C +ATOM 9 CA LYS A 9 240.444 243.562 254.096 1.00 0.00 C +ATOM 10 CA THR A 10 243.788 243.610 252.271 1.00 0.00 C +ATOM 11 CA THR A 11 244.334 247.213 251.159 1.00 0.00 C +ATOM 12 CA LYS A 12 247.519 248.902 249.927 1.00 0.00 C +ATOM 13 CA LYS A 13 250.925 249.848 251.349 1.00 0.00 C +ATOM 14 CA ARG A 14 254.131 251.210 249.807 1.00 0.00 C +ATOM 15 CA PRO A 15 256.847 250.939 247.149 1.00 0.00 C +ATOM 16 CA GLN A 16 259.522 249.603 244.786 1.00 0.00 C +ATOM 17 CA ARG A 17 263.256 250.129 244.246 1.00 0.00 C +ATOM 18 CA ALA A 18 264.386 253.643 245.187 1.00 0.00 C +ATOM 19 CA THR A 19 265.136 254.659 248.782 1.00 0.00 C +ATOM 20 CA SER A 20 264.328 258.244 249.786 1.00 0.00 C +ATOM 21 CA ASN A 21 263.335 261.711 248.555 1.00 0.00 C +ATOM 22 CA VAL A 22 260.552 262.875 250.882 1.00 0.00 C +ATOM 23 CA PHE A 23 257.698 260.449 250.188 1.00 0.00 C +ATOM 24 CA ALA A 24 257.431 256.656 249.947 1.00 0.00 C +ATOM 25 CA MET A 25 257.937 255.172 253.419 1.00 0.00 C +ATOM 26 CA PHE A 26 259.494 251.707 253.125 1.00 0.00 C +ATOM 27 CA ASP A 27 261.698 249.603 250.837 1.00 0.00 C +ATOM 28 CA GLN A 28 264.922 248.544 252.569 1.00 0.00 C +ATOM 29 CA SER A 29 267.402 245.684 252.135 1.00 0.00 C +ATOM 30 CA GLN A 30 270.667 244.481 250.583 1.00 0.00 C +ATOM 31 CA ILE A 31 273.921 243.336 248.966 1.00 0.00 C +TER 32 ILE A 31 +END diff --git a/Mammals/Q63656/Q63656.dcd b/Mammals/Q63656/Q63656.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e9b0ad279bb40248411dcdf6cf5ea470678ad411 --- /dev/null +++ b/Mammals/Q63656/Q63656.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b21d95daf87b97696e3ded6884545852f0fee3dcc7c838a5a85a4fbf4ddde4df +size 14840276 diff --git a/Mammals/Q63656/top.pdb b/Mammals/Q63656/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..280132e41588fa2c10f304c5f010ebd51eee817e --- /dev/null +++ b/Mammals/Q63656/top.pdb @@ -0,0 +1,121 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LEU A 1 242.858 210.921 282.705 1.00 0.00 C +ATOM 2 CA THR A 2 243.171 214.372 284.290 1.00 0.00 C +ATOM 3 CA SER A 3 241.958 217.946 283.769 1.00 0.00 C +ATOM 4 CA SER A 4 242.402 219.443 280.294 1.00 0.00 C +ATOM 5 CA GLN A 5 239.925 221.014 277.862 1.00 0.00 C +ATOM 6 CA SER A 6 236.599 222.652 276.983 1.00 0.00 C +ATOM 7 CA GLN A 7 233.311 223.329 278.785 1.00 0.00 C +ATOM 8 CA HIS A 8 229.679 222.394 279.458 1.00 0.00 C +ATOM 9 CA THR A 9 228.383 220.906 282.718 1.00 0.00 C +ATOM 10 CA GLY A 10 225.273 219.596 284.488 1.00 0.00 C +ATOM 11 CA SER A 11 222.597 220.606 287.004 1.00 0.00 C +ATOM 12 CA MET A 12 219.376 218.717 286.247 1.00 0.00 C +ATOM 13 CA LYS A 13 217.207 218.584 283.118 1.00 0.00 C +ATOM 14 CA THR A 14 215.073 215.736 281.756 1.00 0.00 C +ATOM 15 CA THR A 15 213.078 213.833 279.127 1.00 0.00 C +ATOM 16 CA ARG A 16 213.479 214.892 275.489 1.00 0.00 C +ATOM 17 CA ASN A 17 213.236 212.109 272.897 1.00 0.00 C +ATOM 18 CA PRO A 18 214.427 213.043 269.401 1.00 0.00 C +ATOM 19 CA GLN A 19 215.028 211.354 266.039 1.00 0.00 C +ATOM 20 CA THR A 20 217.631 211.996 263.332 1.00 0.00 C +ATOM 21 CA THR A 21 216.218 213.034 259.949 1.00 0.00 C +ATOM 22 CA GLY A 22 213.095 215.143 260.507 1.00 0.00 C +ATOM 23 CA THR A 23 211.917 218.501 259.146 1.00 0.00 C +ATOM 24 CA THR A 24 209.333 221.252 259.664 1.00 0.00 C +ATOM 25 CA GLU A 25 207.070 222.909 257.085 1.00 0.00 C +ATOM 26 CA VAL A 26 206.869 226.691 257.494 1.00 0.00 C +ATOM 27 CA THR A 27 208.516 230.123 257.336 1.00 0.00 C +ATOM 28 CA THR A 28 211.147 231.697 259.598 1.00 0.00 C +ATOM 29 CA THR A 29 209.895 233.115 262.905 1.00 0.00 C +ATOM 30 CA LEU A 30 211.924 232.220 266.004 1.00 0.00 C +ATOM 31 CA SER A 31 215.251 233.083 267.647 1.00 0.00 C +ATOM 32 CA ALA A 32 218.082 232.162 270.024 1.00 0.00 C +ATOM 33 CA SER A 33 221.310 234.025 269.235 1.00 0.00 C +ATOM 34 CA SER A 34 224.055 235.902 271.096 1.00 0.00 C +ATOM 35 CA SER A 35 227.686 236.012 272.245 1.00 0.00 C +ATOM 36 CA ASP A 36 229.631 239.142 273.212 1.00 0.00 C +ATOM 37 CA GLN A 37 232.525 241.182 271.806 1.00 0.00 C +ATOM 38 CA VAL A 38 236.217 242.033 271.405 1.00 0.00 C +ATOM 39 CA GLN A 39 239.332 242.921 269.399 1.00 0.00 C +ATOM 40 CA VAL A 40 239.158 243.706 265.675 1.00 0.00 C +ATOM 41 CA GLU A 41 236.098 243.264 263.449 1.00 0.00 C +ATOM 42 CA THR A 42 234.200 246.437 262.526 1.00 0.00 C +ATOM 43 CA THR A 43 231.519 249.115 262.128 1.00 0.00 C +ATOM 44 CA SER A 44 231.712 252.561 263.741 1.00 0.00 C +ATOM 45 CA GLN A 45 231.326 255.800 265.710 1.00 0.00 C +ATOM 46 CA ARG A 46 230.888 255.315 269.463 1.00 0.00 C +ATOM 47 CA THR A 47 229.149 258.038 271.483 1.00 0.00 C +ATOM 48 CA SER A 48 230.693 261.478 272.026 1.00 0.00 C +ATOM 49 CA SER A 49 231.422 265.196 272.430 1.00 0.00 C +ATOM 50 CA PRO A 50 229.807 268.469 271.335 1.00 0.00 C +ATOM 51 CA ASP A 51 227.927 270.754 268.935 1.00 0.00 C +ATOM 52 CA SER A 52 225.578 269.239 266.346 1.00 0.00 C +ATOM 53 CA THR A 53 226.055 267.559 262.960 1.00 0.00 C +ATOM 54 CA THR A 54 228.057 266.924 259.782 1.00 0.00 C +ATOM 55 CA THR A 55 231.713 267.811 259.174 1.00 0.00 C +ATOM 56 CA SER A 56 233.743 269.547 256.458 1.00 0.00 C +ATOM 57 CA HIS A 57 237.061 268.130 255.233 1.00 0.00 C +ATOM 58 CA ALA A 58 237.667 269.713 251.820 1.00 0.00 C +ATOM 59 CA PRO A 59 236.737 273.368 251.280 1.00 0.00 C +ATOM 60 CA SER A 60 238.914 276.494 251.233 1.00 0.00 C +ATOM 61 CA VAL A 61 241.189 279.032 249.531 1.00 0.00 C +ATOM 62 CA ARG A 62 244.876 278.942 248.573 1.00 0.00 C +ATOM 63 CA SER A 63 247.031 278.099 245.546 1.00 0.00 C +ATOM 64 CA SER A 64 249.883 275.589 245.252 1.00 0.00 C +ATOM 65 CA PRO A 65 253.142 277.486 244.709 1.00 0.00 C +ATOM 66 CA PRO A 66 256.268 279.656 244.898 1.00 0.00 C +ATOM 67 CA SER A 67 256.767 282.867 242.908 1.00 0.00 C +ATOM 68 CA THR A 68 259.875 284.830 241.905 1.00 0.00 C +ATOM 69 CA PRO A 69 262.929 282.566 242.157 1.00 0.00 C +ATOM 70 CA SER A 70 266.549 283.109 243.213 1.00 0.00 C +ATOM 71 CA THR A 71 268.002 280.434 245.505 1.00 0.00 C +ATOM 72 CA GLU A 72 271.413 281.182 247.027 1.00 0.00 C +ATOM 73 CA VAL A 73 273.654 278.223 246.166 1.00 0.00 C +ATOM 74 CA THR A 74 274.127 278.294 242.386 1.00 0.00 C +ATOM 75 CA SER A 75 274.014 279.063 238.656 1.00 0.00 C +ATOM 76 CA VAL A 76 275.685 278.530 235.274 1.00 0.00 C +ATOM 77 CA ASP A 77 279.219 279.130 233.984 1.00 0.00 C +ATOM 78 CA THR A 78 282.807 278.452 232.895 1.00 0.00 C +ATOM 79 CA GLY A 79 285.125 275.557 233.769 1.00 0.00 C +ATOM 80 CA LEU A 80 283.963 272.666 235.963 1.00 0.00 C +ATOM 81 CA LYS A 81 282.812 269.512 234.162 1.00 0.00 C +ATOM 82 CA ALA A 82 282.297 266.979 231.363 1.00 0.00 C +ATOM 83 CA ALA A 83 283.050 264.726 228.384 1.00 0.00 C +ATOM 84 CA ILE A 84 280.849 261.908 227.069 1.00 0.00 C +ATOM 85 CA SER A 85 280.104 258.717 225.125 1.00 0.00 C +ATOM 86 CA THR A 86 282.195 255.559 225.539 1.00 0.00 C +ATOM 87 CA GLN A 87 283.309 251.955 226.077 1.00 0.00 C +ATOM 88 CA GLY A 88 285.174 249.067 224.436 1.00 0.00 C +ATOM 89 CA SER A 89 286.992 245.791 223.746 1.00 0.00 C +ATOM 90 CA THR A 90 290.514 246.637 222.565 1.00 0.00 C +ATOM 91 CA PRO A 91 293.282 244.928 220.582 1.00 0.00 C +ATOM 92 CA ALA A 92 292.403 242.728 217.598 1.00 0.00 C +ATOM 93 CA THR A 93 289.827 243.240 214.838 1.00 0.00 C +ATOM 94 CA THR A 94 287.322 245.921 215.864 1.00 0.00 C +ATOM 95 CA GLN A 95 289.005 249.332 216.087 1.00 0.00 C +ATOM 96 CA GLY A 96 287.828 251.168 219.211 1.00 0.00 C +ATOM 97 CA SER A 97 289.743 252.864 222.035 1.00 0.00 C +ATOM 98 CA LEU A 98 290.609 256.523 221.419 1.00 0.00 C +ATOM 99 CA THR A 99 288.354 258.894 223.372 1.00 0.00 C +ATOM 100 CA SER A 100 287.395 260.525 226.679 1.00 0.00 C +ATOM 101 CA SER A 101 287.453 259.750 230.409 1.00 0.00 C +ATOM 102 CA SER A 102 285.752 256.895 232.273 1.00 0.00 C +ATOM 103 CA GLN A 103 282.330 257.394 233.872 1.00 0.00 C +ATOM 104 CA THR A 104 280.762 253.921 233.865 1.00 0.00 C +ATOM 105 CA LEU A 105 278.237 251.278 232.791 1.00 0.00 C +ATOM 106 CA SER A 106 275.795 252.693 230.232 1.00 0.00 C +ATOM 107 CA THR A 107 275.161 256.086 228.619 1.00 0.00 C +ATOM 108 CA VAL A 108 272.326 256.251 226.079 1.00 0.00 C +ATOM 109 CA SER A 109 273.298 256.677 222.420 1.00 0.00 C +ATOM 110 CA PRO A 110 272.864 258.465 219.084 1.00 0.00 C +ATOM 111 CA LEU A 111 274.060 256.273 216.206 1.00 0.00 C +ATOM 112 CA SER A 112 272.540 256.690 212.737 1.00 0.00 C +ATOM 113 CA THR A 113 268.819 257.404 213.137 1.00 0.00 C +ATOM 114 CA SER A 114 265.547 256.839 215.006 1.00 0.00 C +ATOM 115 CA ALA A 115 263.365 258.776 217.456 1.00 0.00 C +ATOM 116 CA GLN A 116 262.601 259.847 221.032 1.00 0.00 C +ATOM 117 CA GLU A 117 265.316 260.568 223.605 1.00 0.00 C +TER 118 GLU A 117 +END diff --git a/Mammals/Q63658/Q63658.dcd b/Mammals/Q63658/Q63658.dcd new file mode 100644 index 0000000000000000000000000000000000000000..e232585270eef0af12dab7a68966a6364fa6609e --- /dev/null +++ b/Mammals/Q63658/Q63658.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3b49106d67d2a79d819104db84c6d2e8da1f5cbe5d9c74a93a1ad449ccc32166 +size 14840276 diff --git a/Mammals/Q63658/top.pdb b/Mammals/Q63658/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7699625db2ca5544a6eb7ea51dd4540fe06381c9 --- /dev/null +++ b/Mammals/Q63658/top.pdb @@ -0,0 +1,121 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LEU A 1 280.895 218.081 259.664 1.00 0.00 C +ATOM 2 CA THR A 2 278.137 215.677 260.726 1.00 0.00 C +ATOM 3 CA THR A 3 275.338 213.837 262.543 1.00 0.00 C +ATOM 4 CA LEU A 4 272.484 213.518 260.039 1.00 0.00 C +ATOM 5 CA PRO A 5 269.697 215.404 258.252 1.00 0.00 C +ATOM 6 CA GLN A 6 267.753 218.616 258.898 1.00 0.00 C +ATOM 7 CA SER A 7 267.087 221.393 261.420 1.00 0.00 C +ATOM 8 CA GLN A 8 265.924 225.015 261.640 1.00 0.00 C +ATOM 9 CA HIS A 9 267.686 228.312 260.908 1.00 0.00 C +ATOM 10 CA THR A 10 269.127 229.785 264.113 1.00 0.00 C +ATOM 11 CA GLY A 11 268.182 233.151 265.627 1.00 0.00 C +ATOM 12 CA GLY A 12 270.027 234.383 268.725 1.00 0.00 C +ATOM 13 CA MET A 13 269.825 233.809 272.486 1.00 0.00 C +ATOM 14 CA LYS A 14 270.099 237.105 274.376 1.00 0.00 C +ATOM 15 CA THR A 15 271.061 240.611 275.515 1.00 0.00 C +ATOM 16 CA THR A 16 269.336 243.993 275.838 1.00 0.00 C +ATOM 17 CA ARG A 17 271.020 247.310 275.013 1.00 0.00 C +ATOM 18 CA ASN A 18 270.346 250.506 273.052 1.00 0.00 C +ATOM 19 CA PRO A 19 266.988 251.745 271.746 1.00 0.00 C +ATOM 20 CA GLN A 20 265.613 253.470 268.639 1.00 0.00 C +ATOM 21 CA THR A 21 264.900 255.696 265.630 1.00 0.00 C +ATOM 22 CA THR A 22 261.570 255.824 263.785 1.00 0.00 C +ATOM 23 CA ARG A 23 260.232 252.527 262.424 1.00 0.00 C +ATOM 24 CA ASN A 24 256.606 252.146 261.318 1.00 0.00 C +ATOM 25 CA THR A 25 254.955 249.923 258.700 1.00 0.00 C +ATOM 26 CA GLU A 26 251.943 250.336 256.403 1.00 0.00 C +ATOM 27 CA VAL A 27 249.715 250.312 253.312 1.00 0.00 C +ATOM 28 CA THR A 28 249.630 246.851 251.721 1.00 0.00 C +ATOM 29 CA THR A 29 252.454 244.294 251.744 1.00 0.00 C +ATOM 30 CA THR A 30 255.801 244.131 253.559 1.00 0.00 C +ATOM 31 CA LEU A 31 259.405 245.230 254.121 1.00 0.00 C +ATOM 32 CA SER A 32 262.798 245.232 252.388 1.00 0.00 C +ATOM 33 CA ALA A 33 264.684 248.195 250.912 1.00 0.00 C +ATOM 34 CA SER A 34 263.898 250.727 248.175 1.00 0.00 C +ATOM 35 CA SER A 35 266.122 253.646 247.153 1.00 0.00 C +ATOM 36 CA ASP A 36 266.971 257.035 248.674 1.00 0.00 C +ATOM 37 CA GLN A 37 264.255 259.476 249.761 1.00 0.00 C +ATOM 38 CA LEU A 38 260.807 258.134 250.671 1.00 0.00 C +ATOM 39 CA GLN A 39 258.256 259.301 253.248 1.00 0.00 C +ATOM 40 CA THR A 40 259.237 260.636 256.679 1.00 0.00 C +ATOM 41 CA GLY A 41 262.209 262.695 257.880 1.00 0.00 C +ATOM 42 CA THR A 42 265.848 263.682 257.332 1.00 0.00 C +ATOM 43 CA GLY A 43 266.789 266.845 259.237 1.00 0.00 C +ATOM 44 CA SER A 44 267.231 269.922 261.439 1.00 0.00 C +ATOM 45 CA GLN A 45 267.384 273.729 261.456 1.00 0.00 C +ATOM 46 CA ARG A 46 270.317 276.004 260.596 1.00 0.00 C +ATOM 47 CA THR A 47 270.985 276.752 256.921 1.00 0.00 C +ATOM 48 CA SER A 48 269.414 277.616 253.559 1.00 0.00 C +ATOM 49 CA SER A 49 266.459 278.965 251.568 1.00 0.00 C +ATOM 50 CA PRO A 50 264.063 280.842 249.276 1.00 0.00 C +ATOM 51 CA ASP A 51 262.423 282.478 246.251 1.00 0.00 C +ATOM 52 CA SER A 52 259.717 281.749 243.670 1.00 0.00 C +ATOM 53 CA THR A 53 258.993 282.288 239.968 1.00 0.00 C +ATOM 54 CA THR A 54 257.252 285.399 238.624 1.00 0.00 C +ATOM 55 CA THR A 55 256.258 286.360 235.073 1.00 0.00 C +ATOM 56 CA SER A 56 256.529 283.559 232.505 1.00 0.00 C +ATOM 57 CA HIS A 57 257.304 283.181 228.794 1.00 0.00 C +ATOM 58 CA ALA A 58 255.009 282.364 225.864 1.00 0.00 C +ATOM 59 CA PRO A 59 251.363 281.773 226.799 1.00 0.00 C +ATOM 60 CA SER A 60 249.198 278.655 226.481 1.00 0.00 C +ATOM 61 CA VAL A 61 250.261 276.860 223.293 1.00 0.00 C +ATOM 62 CA ARG A 62 248.354 273.700 222.347 1.00 0.00 C +ATOM 63 CA SER A 63 247.024 271.998 225.486 1.00 0.00 C +ATOM 64 CA SER A 64 247.186 271.905 229.291 1.00 0.00 C +ATOM 65 CA PRO A 65 250.750 272.184 230.607 1.00 0.00 C +ATOM 66 CA PRO A 66 251.371 271.927 234.358 1.00 0.00 C +ATOM 67 CA SER A 67 252.801 270.020 237.330 1.00 0.00 C +ATOM 68 CA THR A 68 252.342 266.299 236.656 1.00 0.00 C +ATOM 69 CA PRO A 69 253.423 264.121 239.590 1.00 0.00 C +ATOM 70 CA SER A 70 254.548 261.047 241.540 1.00 0.00 C +ATOM 71 CA THR A 71 255.490 259.020 244.625 1.00 0.00 C +ATOM 72 CA GLU A 72 254.113 257.948 248.012 1.00 0.00 C +ATOM 73 CA VAL A 73 251.367 259.684 250.004 1.00 0.00 C +ATOM 74 CA THR A 74 247.561 259.722 250.168 1.00 0.00 C +ATOM 75 CA SER A 75 243.852 259.912 251.020 1.00 0.00 C +ATOM 76 CA VAL A 76 243.264 261.203 254.556 1.00 0.00 C +ATOM 77 CA ASP A 77 240.232 259.671 256.280 1.00 0.00 C +ATOM 78 CA THR A 78 236.548 258.751 256.587 1.00 0.00 C +ATOM 79 CA GLY A 79 235.496 259.545 260.162 1.00 0.00 C +ATOM 80 CA LEU A 80 236.451 256.811 262.638 1.00 0.00 C +ATOM 81 CA LYS A 81 236.125 253.043 262.174 1.00 0.00 C +ATOM 82 CA THR A 82 232.688 251.448 262.569 1.00 0.00 C +ATOM 83 CA ALA A 83 231.443 249.505 265.601 1.00 0.00 C +ATOM 84 CA ILE A 84 232.393 246.194 267.230 1.00 0.00 C +ATOM 85 CA SER A 85 232.068 242.399 267.152 1.00 0.00 C +ATOM 86 CA THR A 86 234.147 239.208 267.058 1.00 0.00 C +ATOM 87 CA GLN A 87 233.148 236.218 264.918 1.00 0.00 C +ATOM 88 CA GLY A 88 231.013 233.088 265.319 1.00 0.00 C +ATOM 89 CA SER A 89 232.670 230.459 267.523 1.00 0.00 C +ATOM 90 CA THR A 90 235.221 229.430 270.159 1.00 0.00 C +ATOM 91 CA PRO A 91 239.030 229.328 270.158 1.00 0.00 C +ATOM 92 CA ALA A 92 239.938 227.947 266.725 1.00 0.00 C +ATOM 93 CA THR A 93 241.473 227.283 263.302 1.00 0.00 C +ATOM 94 CA THR A 94 241.864 229.276 260.079 1.00 0.00 C +ATOM 95 CA GLN A 95 240.044 229.646 256.752 1.00 0.00 C +ATOM 96 CA GLY A 96 240.945 227.997 253.437 1.00 0.00 C +ATOM 97 CA SER A 97 239.039 227.807 250.144 1.00 0.00 C +ATOM 98 CA LEU A 98 239.281 229.691 246.841 1.00 0.00 C +ATOM 99 CA THR A 99 239.741 230.094 243.081 1.00 0.00 C +ATOM 100 CA SER A 100 237.104 230.533 240.365 1.00 0.00 C +ATOM 101 CA SER A 101 236.359 232.239 237.041 1.00 0.00 C +ATOM 102 CA SER A 102 232.824 232.902 235.785 1.00 0.00 C +ATOM 103 CA GLN A 103 229.219 231.823 235.186 1.00 0.00 C +ATOM 104 CA THR A 104 226.380 230.580 232.970 1.00 0.00 C +ATOM 105 CA LEU A 105 223.202 232.001 234.516 1.00 0.00 C +ATOM 106 CA SER A 106 222.232 235.254 232.785 1.00 0.00 C +ATOM 107 CA THR A 107 224.363 236.646 229.950 1.00 0.00 C +ATOM 108 CA VAL A 108 222.048 238.449 227.520 1.00 0.00 C +ATOM 109 CA SER A 109 218.262 238.782 227.784 1.00 0.00 C +ATOM 110 CA PRO A 110 215.846 240.512 230.169 1.00 0.00 C +ATOM 111 CA LEU A 111 212.916 242.101 228.324 1.00 0.00 C +ATOM 112 CA SER A 112 211.795 242.603 224.717 1.00 0.00 C +ATOM 113 CA THR A 113 212.558 240.314 221.768 1.00 0.00 C +ATOM 114 CA SER A 114 212.361 241.405 218.123 1.00 0.00 C +ATOM 115 CA THR A 115 214.165 242.421 214.925 1.00 0.00 C +ATOM 116 CA GLN A 116 213.576 240.552 211.657 1.00 0.00 C +ATOM 117 CA GLU A 117 214.471 238.262 208.747 1.00 0.00 C +TER 118 GLU A 117 +END diff --git a/Mammals/Q63660/Q63660.dcd b/Mammals/Q63660/Q63660.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a8ba6524f7db25fc6dd3fd0b8ab8db4516680569 --- /dev/null +++ b/Mammals/Q63660/Q63660.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0c8c4da4ad23570fdfb898869a3a607c03adab8ed6d208ec6630c1b43bb6c335 +size 14600276 diff --git a/Mammals/Q63660/top.pdb b/Mammals/Q63660/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..500159365fe17ab05e100ba40d0ae30023739f75 --- /dev/null +++ b/Mammals/Q63660/top.pdb @@ -0,0 +1,119 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ILE A 1 238.759 262.391 238.348 1.00 0.00 C +ATOM 2 CA THR A 2 242.099 261.677 240.034 1.00 0.00 C +ATOM 3 CA SER A 3 242.959 261.652 243.746 1.00 0.00 C +ATOM 4 CA SER A 4 244.272 260.188 247.009 1.00 0.00 C +ATOM 5 CA GLN A 5 247.045 260.172 249.622 1.00 0.00 C +ATOM 6 CA SER A 6 248.574 260.724 253.068 1.00 0.00 C +ATOM 7 CA GLN A 7 250.017 260.529 256.588 1.00 0.00 C +ATOM 8 CA ARG A 8 249.177 257.188 258.216 1.00 0.00 C +ATOM 9 CA THR A 9 247.635 254.536 255.957 1.00 0.00 C +ATOM 10 CA GLY A 10 246.324 250.959 255.940 1.00 0.00 C +ATOM 11 CA SER A 11 244.011 247.973 256.440 1.00 0.00 C +ATOM 12 CA MET A 12 241.005 247.509 258.735 1.00 0.00 C +ATOM 13 CA LYS A 13 240.449 244.804 261.361 1.00 0.00 C +ATOM 14 CA THR A 14 238.578 245.047 264.671 1.00 0.00 C +ATOM 15 CA THR A 15 236.520 244.779 267.866 1.00 0.00 C +ATOM 16 CA HIS A 16 233.199 242.923 268.062 1.00 0.00 C +ATOM 17 CA ASN A 17 234.045 239.222 268.382 1.00 0.00 C +ATOM 18 CA PRO A 18 237.415 238.018 267.073 1.00 0.00 C +ATOM 19 CA GLN A 19 236.945 234.395 265.994 1.00 0.00 C +ATOM 20 CA THR A 20 238.061 232.406 262.942 1.00 0.00 C +ATOM 21 CA THR A 21 235.302 230.124 261.638 1.00 0.00 C +ATOM 22 CA THR A 22 234.593 229.023 258.061 1.00 0.00 C +ATOM 23 CA PRO A 23 231.883 230.692 255.966 1.00 0.00 C +ATOM 24 CA THR A 24 232.149 234.271 254.687 1.00 0.00 C +ATOM 25 CA GLU A 25 231.374 237.841 255.769 1.00 0.00 C +ATOM 26 CA VAL A 26 232.692 240.390 253.262 1.00 0.00 C +ATOM 27 CA THR A 27 234.390 243.538 251.950 1.00 0.00 C +ATOM 28 CA THR A 28 232.574 246.473 250.338 1.00 0.00 C +ATOM 29 CA THR A 29 233.309 247.619 246.780 1.00 0.00 C +ATOM 30 CA LEU A 30 230.315 246.800 244.570 1.00 0.00 C +ATOM 31 CA SER A 31 227.794 244.050 245.341 1.00 0.00 C +ATOM 32 CA SER A 32 225.650 241.430 243.593 1.00 0.00 C +ATOM 33 CA SER A 33 222.122 241.317 242.159 1.00 0.00 C +ATOM 34 CA ASP A 34 218.477 242.291 242.695 1.00 0.00 C +ATOM 35 CA GLN A 35 216.620 242.961 245.954 1.00 0.00 C +ATOM 36 CA VAL A 36 213.608 245.285 246.143 1.00 0.00 C +ATOM 37 CA GLN A 37 214.806 248.794 245.269 1.00 0.00 C +ATOM 38 CA VAL A 38 218.378 249.586 244.207 1.00 0.00 C +ATOM 39 CA GLU A 39 221.483 251.643 243.405 1.00 0.00 C +ATOM 40 CA SER A 40 223.240 253.999 240.980 1.00 0.00 C +ATOM 41 CA SER A 41 226.753 255.166 241.883 1.00 0.00 C +ATOM 42 CA SER A 42 230.240 256.684 241.664 1.00 0.00 C +ATOM 43 CA GLN A 43 233.155 256.007 239.306 1.00 0.00 C +ATOM 44 CA ARG A 44 232.968 253.624 236.339 1.00 0.00 C +ATOM 45 CA THR A 45 235.926 251.928 234.639 1.00 0.00 C +ATOM 46 CA SER A 46 236.525 248.173 234.869 1.00 0.00 C +ATOM 47 CA SER A 47 236.536 244.823 236.685 1.00 0.00 C +ATOM 48 CA PRO A 48 237.626 242.009 239.010 1.00 0.00 C +ATOM 49 CA ASP A 49 239.764 238.955 239.798 1.00 0.00 C +ATOM 50 CA THR A 50 242.135 240.021 242.583 1.00 0.00 C +ATOM 51 CA THR A 51 245.634 241.513 242.367 1.00 0.00 C +ATOM 52 CA THR A 52 247.171 243.441 239.463 1.00 0.00 C +ATOM 53 CA THR A 53 249.455 242.733 236.496 1.00 0.00 C +ATOM 54 CA SER A 54 250.998 245.380 234.231 1.00 0.00 C +ATOM 55 CA HIS A 55 254.790 245.082 234.455 1.00 0.00 C +ATOM 56 CA ALA A 56 256.463 246.548 231.362 1.00 0.00 C +ATOM 57 CA PRO A 57 257.883 245.158 228.111 1.00 0.00 C +ATOM 58 CA SER A 58 259.425 244.890 224.638 1.00 0.00 C +ATOM 59 CA VAL A 59 262.049 247.172 223.081 1.00 0.00 C +ATOM 60 CA SER A 60 264.033 248.253 220.013 1.00 0.00 C +ATOM 61 CA SER A 61 265.067 248.549 216.358 1.00 0.00 C +ATOM 62 CA SER A 62 268.204 250.710 216.393 1.00 0.00 C +ATOM 63 CA SER A 63 271.424 251.946 218.011 1.00 0.00 C +ATOM 64 CA PRO A 64 274.812 252.465 219.676 1.00 0.00 C +ATOM 65 CA SER A 65 278.226 254.154 219.593 1.00 0.00 C +ATOM 66 CA PRO A 66 280.692 254.473 216.706 1.00 0.00 C +ATOM 67 CA PRO A 67 284.483 254.114 216.582 1.00 0.00 C +ATOM 68 CA SER A 68 286.381 250.902 215.810 1.00 0.00 C +ATOM 69 CA THR A 69 286.998 247.944 218.131 1.00 0.00 C +ATOM 70 CA GLU A 70 289.106 248.428 221.267 1.00 0.00 C +ATOM 71 CA GLY A 71 287.051 250.280 223.887 1.00 0.00 C +ATOM 72 CA THR A 72 287.548 249.567 227.596 1.00 0.00 C +ATOM 73 CA SER A 73 286.602 248.699 231.184 1.00 0.00 C +ATOM 74 CA VAL A 74 286.371 245.848 233.700 1.00 0.00 C +ATOM 75 CA ASP A 75 286.244 245.768 237.507 1.00 0.00 C +ATOM 76 CA THR A 76 286.064 244.665 241.150 1.00 0.00 C +ATOM 77 CA GLY A 77 285.098 241.016 241.663 1.00 0.00 C +ATOM 78 CA LEU A 78 284.931 238.575 244.583 1.00 0.00 C +ATOM 79 CA THR A 79 284.773 238.960 248.370 1.00 0.00 C +ATOM 80 CA THR A 80 284.631 237.680 251.956 1.00 0.00 C +ATOM 81 CA ALA A 81 281.780 239.533 253.674 1.00 0.00 C +ATOM 82 CA VAL A 82 280.129 240.574 256.946 1.00 0.00 C +ATOM 83 CA THR A 83 277.898 243.662 256.991 1.00 0.00 C +ATOM 84 CA THR A 84 279.591 246.931 257.976 1.00 0.00 C +ATOM 85 CA GLN A 85 280.111 250.012 260.155 1.00 0.00 C +ATOM 86 CA ASP A 86 276.857 251.980 260.402 1.00 0.00 C +ATOM 87 CA SER A 87 273.628 253.967 260.771 1.00 0.00 C +ATOM 88 CA THR A 88 270.642 251.828 259.761 1.00 0.00 C +ATOM 89 CA PRO A 89 268.145 253.820 257.684 1.00 0.00 C +ATOM 90 CA ALA A 90 264.517 252.937 258.441 1.00 0.00 C +ATOM 91 CA THR A 91 262.110 255.422 260.037 1.00 0.00 C +ATOM 92 CA THR A 92 259.997 257.568 262.371 1.00 0.00 C +ATOM 93 CA GLN A 93 256.737 259.417 263.054 1.00 0.00 C +ATOM 94 CA GLY A 94 254.252 257.424 265.145 1.00 0.00 C +ATOM 95 CA SER A 95 251.399 255.525 266.810 1.00 0.00 C +ATOM 96 CA LEU A 96 249.459 254.265 269.837 1.00 0.00 C +ATOM 97 CA THR A 97 249.389 251.494 272.451 1.00 0.00 C +ATOM 98 CA SER A 98 246.005 249.802 272.003 1.00 0.00 C +ATOM 99 CA SER A 99 242.399 249.298 273.123 1.00 0.00 C +ATOM 100 CA SER A 100 240.717 250.626 276.273 1.00 0.00 C +ATOM 101 CA GLN A 101 240.210 254.378 275.848 1.00 0.00 C +ATOM 102 CA THR A 102 240.698 258.153 276.031 1.00 0.00 C +ATOM 103 CA LEU A 103 243.090 260.899 274.912 1.00 0.00 C +ATOM 104 CA SER A 104 244.050 263.432 272.232 1.00 0.00 C +ATOM 105 CA THR A 105 245.926 266.746 272.152 1.00 0.00 C +ATOM 106 CA VAL A 106 244.504 270.199 271.394 1.00 0.00 C +ATOM 107 CA SER A 107 241.080 271.575 272.342 1.00 0.00 C +ATOM 108 CA PRO A 108 238.050 272.653 274.384 1.00 0.00 C +ATOM 109 CA LEU A 109 235.931 271.745 277.418 1.00 0.00 C +ATOM 110 CA SER A 110 235.306 267.995 277.166 1.00 0.00 C +ATOM 111 CA THR A 111 236.782 264.528 277.733 1.00 0.00 C +ATOM 112 CA SER A 112 235.957 262.576 274.567 1.00 0.00 C +ATOM 113 CA THR A 113 233.753 264.527 272.148 1.00 0.00 C +ATOM 114 CA GLN A 114 230.258 263.040 271.838 1.00 0.00 C +ATOM 115 CA GLU A 115 226.563 263.953 271.995 1.00 0.00 C +TER 116 GLU A 115 +END diff --git a/Mammals/Q63761/Q63761.dcd b/Mammals/Q63761/Q63761.dcd new file mode 100644 index 0000000000000000000000000000000000000000..64a155b0905c725e6ea6fab6762bd3d5dd31a04e --- /dev/null +++ b/Mammals/Q63761/Q63761.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7f5aa4a0d3183bdd5c4139b0fb84cc6b9c4581c220569f932fe4a9c2110b163b +size 7400276 diff --git a/Mammals/Q63761/top.pdb b/Mammals/Q63761/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b1361cdb254bc0ab80ca61cf5dcc2a2966d205a9 --- /dev/null +++ b/Mammals/Q63761/top.pdb @@ -0,0 +1,59 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA THR A 1 272.223 263.579 236.017 1.00 0.00 C +ATOM 2 CA THR A 2 269.458 263.732 238.634 1.00 0.00 C +ATOM 3 CA TYR A 3 270.881 262.327 241.877 1.00 0.00 C +ATOM 4 CA PHE A 4 270.497 264.053 245.252 1.00 0.00 C +ATOM 5 CA SER A 5 270.691 261.722 248.259 1.00 0.00 C +ATOM 6 CA VAL A 6 271.798 259.002 250.687 1.00 0.00 C +ATOM 7 CA ASN A 7 274.687 257.991 252.956 1.00 0.00 C +ATOM 8 CA VAL A 8 273.911 259.201 256.484 1.00 0.00 C +ATOM 9 CA SER A 9 274.170 256.166 258.773 1.00 0.00 C +ATOM 10 CA ASP A 10 275.081 253.439 261.272 1.00 0.00 C +ATOM 11 CA ALA A 11 272.914 250.321 260.951 1.00 0.00 C +ATOM 12 CA LEU A 12 271.471 246.883 261.735 1.00 0.00 C +ATOM 13 CA PRO A 13 267.689 247.114 261.339 1.00 0.00 C +ATOM 14 CA SER A 14 264.483 245.180 260.634 1.00 0.00 C +ATOM 15 CA SER A 15 264.469 242.525 257.900 1.00 0.00 C +ATOM 16 CA GLU A 16 262.793 240.701 255.006 1.00 0.00 C +ATOM 17 CA ASP A 17 261.660 240.458 251.376 1.00 0.00 C +ATOM 18 CA ASP A 18 259.052 242.305 249.303 1.00 0.00 C +ATOM 19 CA ASP A 19 255.440 241.197 249.795 1.00 0.00 C +ATOM 20 CA ASP A 20 253.906 239.476 246.761 1.00 0.00 C +ATOM 21 CA ASP A 21 250.481 238.016 245.952 1.00 0.00 C +ATOM 22 CA ASP A 22 248.184 238.021 248.992 1.00 0.00 C +ATOM 23 CA ASP A 23 248.735 234.627 250.635 1.00 0.00 C +ATOM 24 CA SER A 24 246.886 234.794 253.962 1.00 0.00 C +ATOM 25 CA SER A 25 243.344 236.026 254.635 1.00 0.00 C +ATOM 26 CA SER A 26 240.034 235.322 256.387 1.00 0.00 C +ATOM 27 CA GLU A 27 238.031 238.321 257.617 1.00 0.00 C +ATOM 28 CA GLU A 28 237.260 241.918 256.628 1.00 0.00 C +ATOM 29 CA LYS A 29 235.371 244.906 255.206 1.00 0.00 C +ATOM 30 CA GLU A 30 234.487 247.789 257.534 1.00 0.00 C +ATOM 31 CA THR A 31 236.525 249.146 260.453 1.00 0.00 C +ATOM 32 CA ASP A 32 238.444 247.853 263.480 1.00 0.00 C +ATOM 33 CA ASN A 33 240.896 250.078 265.364 1.00 0.00 C +ATOM 34 CA THR A 34 241.275 253.559 263.861 1.00 0.00 C +ATOM 35 CA LYS A 35 241.942 254.485 260.226 1.00 0.00 C +ATOM 36 CA PRO A 36 240.910 255.044 256.601 1.00 0.00 C +ATOM 37 CA ASN A 37 239.590 256.452 253.316 1.00 0.00 C +ATOM 38 CA PRO A 38 241.322 256.725 249.933 1.00 0.00 C +ATOM 39 CA VAL A 39 243.245 254.922 247.183 1.00 0.00 C +ATOM 40 CA ALA A 40 245.343 256.993 244.769 1.00 0.00 C +ATOM 41 CA PRO A 41 247.305 256.536 241.535 1.00 0.00 C +ATOM 42 CA TYR A 42 245.547 256.911 238.176 1.00 0.00 C +ATOM 43 CA TRP A 43 245.798 255.101 234.833 1.00 0.00 C +ATOM 44 CA THR A 44 244.844 251.997 232.839 1.00 0.00 C +ATOM 45 CA SER A 45 241.588 250.811 234.421 1.00 0.00 C +ATOM 46 CA PRO A 46 240.833 247.474 236.097 1.00 0.00 C +ATOM 47 CA GLU A 47 241.775 247.447 239.789 1.00 0.00 C +ATOM 48 CA LYS A 48 242.287 251.103 240.730 1.00 0.00 C +ATOM 49 CA MET A 49 239.352 253.280 241.807 1.00 0.00 C +ATOM 50 CA GLU A 50 235.568 252.978 241.481 1.00 0.00 C +ATOM 51 CA LYS A 51 233.960 250.876 244.222 1.00 0.00 C +ATOM 52 CA LYS A 52 230.320 251.345 245.243 1.00 0.00 C +ATOM 53 CA LEU A 53 226.750 252.115 244.154 1.00 0.00 C +ATOM 54 CA HIS A 54 223.437 253.471 242.852 1.00 0.00 C +ATOM 55 CA ALA A 55 221.060 256.185 244.077 1.00 0.00 C +TER 56 ALA A 55 +END diff --git a/Mammals/Q63819/Q63819.dcd b/Mammals/Q63819/Q63819.dcd new file mode 100644 index 0000000000000000000000000000000000000000..3aa3518ded125b7c8353128a7f9e5976d0c3c9ac --- /dev/null +++ b/Mammals/Q63819/Q63819.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:49d6c8caf38ab0633754046968d7239ec7d39d7aa62c81b31192a9108250cb4d +size 10160276 diff --git a/Mammals/Q63819/top.pdb b/Mammals/Q63819/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1a681d14c9d49c16a59ba89b552c3013f7a80ee5 --- /dev/null +++ b/Mammals/Q63819/top.pdb @@ -0,0 +1,82 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ARG A 1 224.210 233.716 192.948 1.00 0.00 C +ATOM 2 CA ASP A 2 224.636 230.181 194.304 1.00 0.00 C +ATOM 3 CA GLU A 3 227.423 230.389 196.893 1.00 0.00 C +ATOM 4 CA ALA A 4 226.468 228.255 199.901 1.00 0.00 C +ATOM 5 CA LYS A 5 227.306 227.470 203.534 1.00 0.00 C +ATOM 6 CA CYS A 6 228.516 229.496 206.525 1.00 0.00 C +ATOM 7 CA PRO A 7 229.749 231.042 209.781 1.00 0.00 C +ATOM 8 CA ALA A 8 230.678 230.993 213.476 1.00 0.00 C +ATOM 9 CA LEU A 9 231.199 228.378 216.198 1.00 0.00 C +ATOM 10 CA PRO A 10 232.156 225.242 218.138 1.00 0.00 C +ATOM 11 CA ASN A 11 234.470 225.706 221.129 1.00 0.00 C +ATOM 12 CA ALA A 12 234.512 225.927 224.932 1.00 0.00 C +ATOM 13 CA CYS A 13 237.320 224.551 227.109 1.00 0.00 C +ATOM 14 CA THR A 14 240.635 225.679 228.609 1.00 0.00 C +ATOM 15 CA CYS A 15 241.944 228.472 226.372 1.00 0.00 C +ATOM 16 CA THR A 16 239.795 229.297 223.335 1.00 0.00 C +ATOM 17 CA GLN A 17 237.572 232.385 223.532 1.00 0.00 C +ATOM 18 CA ASP A 18 238.084 234.546 226.628 1.00 0.00 C +ATOM 19 CA SER A 19 239.459 238.079 226.257 1.00 0.00 C +ATOM 20 CA VAL A 20 240.788 241.137 228.101 1.00 0.00 C +ATOM 21 CA GLY A 21 243.137 243.208 230.271 1.00 0.00 C +ATOM 22 CA PRO A 22 244.655 242.594 233.711 1.00 0.00 C +ATOM 23 CA PRO A 23 244.583 245.053 236.620 1.00 0.00 C +ATOM 24 CA GLY A 24 247.222 246.881 238.672 1.00 0.00 C +ATOM 25 CA PRO A 25 250.297 247.621 240.798 1.00 0.00 C +ATOM 26 CA PRO A 26 252.177 246.478 243.908 1.00 0.00 C +ATOM 27 CA GLY A 27 255.783 246.357 245.132 1.00 0.00 C +ATOM 28 CA PRO A 28 257.070 249.932 244.850 1.00 0.00 C +ATOM 29 CA ALA A 29 257.009 253.630 245.767 1.00 0.00 C +ATOM 30 CA PRO A 30 258.959 256.561 244.310 1.00 0.00 C +ATOM 31 CA PRO A 31 261.446 257.894 246.870 1.00 0.00 C +ATOM 32 CA GLY A 32 263.941 260.654 247.691 1.00 0.00 C +ATOM 33 CA PRO A 33 266.117 263.782 247.678 1.00 0.00 C +ATOM 34 CA ARG A 34 264.417 267.157 247.190 1.00 0.00 C +ATOM 35 CA GLY A 35 261.461 269.551 246.979 1.00 0.00 C +ATOM 36 CA ASP A 36 258.804 269.027 244.300 1.00 0.00 C +ATOM 37 CA THR A 37 256.438 266.042 244.395 1.00 0.00 C +ATOM 38 CA GLY A 38 253.656 266.130 246.997 1.00 0.00 C +ATOM 39 CA PRO A 39 253.766 263.859 250.054 1.00 0.00 C +ATOM 40 CA PRO A 40 251.845 261.019 251.715 1.00 0.00 C +ATOM 41 CA GLY A 41 253.446 257.619 252.342 1.00 0.00 C +ATOM 42 CA PRO A 42 256.877 256.481 251.138 1.00 0.00 C +ATOM 43 CA GLN A 43 260.118 257.605 252.795 1.00 0.00 C +ATOM 44 CA GLY A 44 259.220 258.550 256.375 1.00 0.00 C +ATOM 45 CA PRO A 45 258.776 260.030 259.858 1.00 0.00 C +ATOM 46 CA PRO A 46 258.126 261.030 263.476 1.00 0.00 C +ATOM 47 CA GLY A 47 257.515 262.958 266.705 1.00 0.00 C +ATOM 48 CA PRO A 48 255.904 266.288 267.616 1.00 0.00 C +ATOM 49 CA GLN A 49 255.532 267.433 271.231 1.00 0.00 C +ATOM 50 CA GLY A 50 258.072 269.375 273.304 1.00 0.00 C +ATOM 51 CA PRO A 51 256.256 271.296 276.047 1.00 0.00 C +ATOM 52 CA ASN A 52 256.712 274.378 278.241 1.00 0.00 C +ATOM 53 CA GLY A 53 260.450 275.043 278.551 1.00 0.00 C +ATOM 54 CA LEU A 54 263.966 275.262 277.099 1.00 0.00 C +ATOM 55 CA SER A 55 265.756 274.889 273.757 1.00 0.00 C +ATOM 56 CA ILE A 56 269.039 273.017 273.275 1.00 0.00 C +ATOM 57 CA PRO A 57 270.579 270.789 275.955 1.00 0.00 C +ATOM 58 CA GLY A 58 268.594 267.546 276.188 1.00 0.00 C +ATOM 59 CA GLU A 59 267.198 264.000 276.194 1.00 0.00 C +ATOM 60 CA GLN A 60 264.241 263.486 273.847 1.00 0.00 C +ATOM 61 CA GLY A 61 261.235 261.763 275.432 1.00 0.00 C +ATOM 62 CA THR A 62 258.007 259.956 274.522 1.00 0.00 C +ATOM 63 CA PRO A 63 258.597 256.318 273.554 1.00 0.00 C +ATOM 64 CA GLY A 64 256.752 253.680 275.591 1.00 0.00 C +ATOM 65 CA LEU A 65 257.445 250.194 274.215 1.00 0.00 C +ATOM 66 CA PRO A 66 255.874 246.860 275.180 1.00 0.00 C +ATOM 67 CA GLY A 67 252.823 246.104 273.027 1.00 0.00 C +ATOM 68 CA PRO A 68 252.022 245.660 269.329 1.00 0.00 C +ATOM 69 CA PRO A 69 252.334 243.315 266.342 1.00 0.00 C +ATOM 70 CA GLY A 70 252.782 239.612 267.120 1.00 0.00 C +ATOM 71 CA PRO A 71 250.231 237.565 269.075 1.00 0.00 C +ATOM 72 CA MET A 72 249.107 238.877 272.470 1.00 0.00 C +ATOM 73 CA GLY A 73 246.583 239.109 275.315 1.00 0.00 C +ATOM 74 CA PRO A 74 246.203 242.008 277.757 1.00 0.00 C +ATOM 75 CA PRO A 75 242.934 242.688 279.594 1.00 0.00 C +ATOM 76 CA GLY A 76 240.930 245.751 278.535 1.00 0.00 C +ATOM 77 CA ASP A 77 239.913 247.644 281.681 1.00 0.00 C +ATOM 78 CA ARG A 78 240.150 251.447 281.657 1.00 0.00 C +TER 79 ARG A 78 +END diff --git a/Mammals/Q63828/Q63828.dcd b/Mammals/Q63828/Q63828.dcd new file mode 100644 index 0000000000000000000000000000000000000000..3d0f34caa723700849efcf5d1464731115a8c3d3 --- /dev/null +++ b/Mammals/Q63828/Q63828.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:136199bded533020d53b7f41cfb450e193861c7ca268a41d93cc74e212c36aec +size 12680276 diff --git a/Mammals/Q63828/top.pdb b/Mammals/Q63828/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1c2d1aee891da7409b0d88a82043014f2f00027d --- /dev/null +++ b/Mammals/Q63828/top.pdb @@ -0,0 +1,103 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLY A 1 220.570 287.626 213.063 1.00 0.00 C +ATOM 2 CA LYS A 2 223.326 285.008 212.802 1.00 0.00 C +ATOM 3 CA ASP A 3 225.774 282.222 211.932 1.00 0.00 C +ATOM 4 CA GLY A 4 228.652 282.179 214.429 1.00 0.00 C +ATOM 5 CA PRO A 5 232.053 283.780 215.047 1.00 0.00 C +ATOM 6 CA ALA A 6 235.295 282.381 216.479 1.00 0.00 C +ATOM 7 CA GLY A 7 235.480 281.469 220.173 1.00 0.00 C +ATOM 8 CA LEU A 8 236.535 281.702 223.827 1.00 0.00 C +ATOM 9 CA ARG A 9 240.066 282.374 225.093 1.00 0.00 C +ATOM 10 CA GLY A 10 241.533 279.980 227.668 1.00 0.00 C +ATOM 11 CA PHE A 11 241.493 276.365 228.869 1.00 0.00 C +ATOM 12 CA PRO A 12 244.290 274.183 227.480 1.00 0.00 C +ATOM 13 CA GLY A 13 246.802 276.343 225.599 1.00 0.00 C +ATOM 14 CA GLU A 14 248.334 275.034 222.366 1.00 0.00 C +ATOM 15 CA ARG A 15 249.050 271.763 220.548 1.00 0.00 C +ATOM 16 CA GLY A 16 250.590 271.710 217.064 1.00 0.00 C +ATOM 17 CA LEU A 17 252.962 268.747 216.733 1.00 0.00 C +ATOM 18 CA PRO A 18 255.576 268.121 219.433 1.00 0.00 C +ATOM 19 CA GLY A 19 257.065 270.567 221.946 1.00 0.00 C +ATOM 20 CA THR A 20 256.076 270.976 225.603 1.00 0.00 C +ATOM 21 CA ALA A 21 254.727 273.850 227.709 1.00 0.00 C +ATOM 22 CA GLY A 22 253.259 277.352 228.015 1.00 0.00 C +ATOM 23 CA GLY A 23 251.067 280.385 227.296 1.00 0.00 C +ATOM 24 CA PRO A 24 248.964 280.817 230.443 1.00 0.00 C +ATOM 25 CA GLY A 25 250.661 281.326 233.817 1.00 0.00 C +ATOM 26 CA LEU A 26 252.855 280.952 236.909 1.00 0.00 C +ATOM 27 CA LYS A 27 254.688 277.643 236.448 1.00 0.00 C +ATOM 28 CA GLY A 28 258.348 277.515 237.496 1.00 0.00 C +ATOM 29 CA ASN A 29 260.195 280.011 239.704 1.00 0.00 C +ATOM 30 CA GLU A 30 263.304 281.891 240.852 1.00 0.00 C +ATOM 31 CA GLY A 31 262.171 284.670 243.198 1.00 0.00 C +ATOM 32 CA PRO A 32 264.475 287.512 244.261 1.00 0.00 C +ATOM 33 CA ALA A 33 265.943 287.601 247.776 1.00 0.00 C +ATOM 34 CA GLY A 34 263.606 286.488 250.571 1.00 0.00 C +ATOM 35 CA PRO A 35 263.567 283.917 253.383 1.00 0.00 C +ATOM 36 CA PRO A 36 260.564 282.116 254.884 1.00 0.00 C +ATOM 37 CA GLY A 37 257.814 283.829 256.889 1.00 0.00 C +ATOM 38 CA PRO A 38 257.107 283.108 260.562 1.00 0.00 C +ATOM 39 CA ALA A 39 256.076 281.359 263.786 1.00 0.00 C +ATOM 40 CA GLY A 40 256.293 278.661 266.468 1.00 0.00 C +ATOM 41 CA SER A 41 255.615 275.544 268.551 1.00 0.00 C +ATOM 42 CA PRO A 42 256.487 272.486 266.453 1.00 0.00 C +ATOM 43 CA GLY A 43 259.391 270.021 266.554 1.00 0.00 C +ATOM 44 CA GLU A 44 259.609 266.321 265.675 1.00 0.00 C +ATOM 45 CA ARG A 45 261.048 262.900 266.540 1.00 0.00 C +ATOM 46 CA GLY A 46 263.952 261.949 264.264 1.00 0.00 C +ATOM 47 CA ALA A 47 264.345 264.770 261.734 1.00 0.00 C +ATOM 48 CA ALA A 48 266.917 267.324 260.561 1.00 0.00 C +ATOM 49 CA GLY A 49 267.532 268.235 256.913 1.00 0.00 C +ATOM 50 CA SER A 50 267.513 266.227 253.675 1.00 0.00 C +ATOM 51 CA GLY A 51 265.188 268.114 251.319 1.00 0.00 C +ATOM 52 CA GLY A 52 264.501 270.340 248.305 1.00 0.00 C +ATOM 53 CA PRO A 53 263.580 273.651 246.661 1.00 0.00 C +ATOM 54 CA ILE A 54 260.976 273.955 243.896 1.00 0.00 C +ATOM 55 CA GLY A 55 262.035 272.762 240.436 1.00 0.00 C +ATOM 56 CA PRO A 56 262.496 269.133 239.371 1.00 0.00 C +ATOM 57 CA PRO A 57 264.655 266.479 241.046 1.00 0.00 C +ATOM 58 CA GLY A 58 264.069 263.346 243.133 1.00 0.00 C +ATOM 59 CA ARG A 59 260.484 262.407 244.017 1.00 0.00 C +ATOM 60 CA PRO A 60 257.917 259.621 243.611 1.00 0.00 C +ATOM 61 CA GLY A 61 254.501 259.450 245.289 1.00 0.00 C +ATOM 62 CA PRO A 62 254.158 258.245 248.887 1.00 0.00 C +ATOM 63 CA GLN A 63 254.961 255.135 250.936 1.00 0.00 C +ATOM 64 CA GLY A 64 254.125 256.132 254.517 1.00 0.00 C +ATOM 65 CA PRO A 65 251.578 253.834 256.176 1.00 0.00 C +ATOM 66 CA PRO A 66 253.145 251.148 258.378 1.00 0.00 C +ATOM 67 CA GLY A 67 250.583 248.793 259.928 1.00 0.00 C +ATOM 68 CA ALA A 68 248.302 245.776 259.465 1.00 0.00 C +ATOM 69 CA ALA A 69 249.784 242.504 258.195 1.00 0.00 C +ATOM 70 CA GLY A 70 248.847 238.830 257.814 1.00 0.00 C +ATOM 71 CA GLU A 71 250.569 235.879 259.499 1.00 0.00 C +ATOM 72 CA LYS A 72 249.320 232.405 258.556 1.00 0.00 C +ATOM 73 CA GLY A 73 250.821 228.903 258.577 1.00 0.00 C +ATOM 74 CA VAL A 74 251.293 226.366 261.380 1.00 0.00 C +ATOM 75 CA PRO A 75 250.264 223.003 259.913 1.00 0.00 C +ATOM 76 CA GLY A 76 248.933 220.621 262.571 1.00 0.00 C +ATOM 77 CA GLU A 77 249.112 218.308 265.593 1.00 0.00 C +ATOM 78 CA LYS A 78 245.831 216.410 265.973 1.00 0.00 C +ATOM 79 CA GLY A 79 246.470 212.778 265.018 1.00 0.00 C +ATOM 80 CA PRO A 80 245.793 209.044 264.671 1.00 0.00 C +ATOM 81 CA VAL A 81 243.957 206.889 267.220 1.00 0.00 C +ATOM 82 CA GLY A 82 242.474 203.387 266.994 1.00 0.00 C +ATOM 83 CA PRO A 83 240.845 200.076 266.048 1.00 0.00 C +ATOM 84 CA THR A 84 242.009 197.288 263.726 1.00 0.00 C +ATOM 85 CA GLY A 85 241.705 193.727 262.405 1.00 0.00 C +ATOM 86 CA ARG A 86 241.261 190.668 264.631 1.00 0.00 C +ATOM 87 CA ASP A 87 243.538 187.677 265.251 1.00 0.00 C +ATOM 88 CA GLY A 88 243.946 184.738 267.642 1.00 0.00 C +ATOM 89 CA VAL A 89 240.795 183.201 269.133 1.00 0.00 C +ATOM 90 CA GLN A 90 238.479 182.180 271.981 1.00 0.00 C +ATOM 91 CA GLY A 91 237.477 179.649 274.647 1.00 0.00 C +ATOM 92 CA PRO A 92 237.534 176.318 276.496 1.00 0.00 C +ATOM 93 CA VAL A 93 235.135 174.271 278.634 1.00 0.00 C +ATOM 94 CA GLY A 94 235.938 173.055 282.154 1.00 0.00 C +ATOM 95 CA LEU A 95 233.377 170.927 284.005 1.00 0.00 C +ATOM 96 CA PRO A 96 230.026 169.255 284.705 1.00 0.00 C +ATOM 97 CA GLY A 97 229.963 167.092 287.842 1.00 0.00 C +ATOM 98 CA PRO A 98 228.578 167.344 291.382 1.00 0.00 C +ATOM 99 CA ALA A 99 229.061 169.576 294.431 1.00 0.00 C +TER 100 ALA A 99 +END diff --git a/Mammals/Q63867/Q63867.dcd b/Mammals/Q63867/Q63867.dcd new file mode 100644 index 0000000000000000000000000000000000000000..8d02d96decff4f4a7b43f6c9d74b1db4d53262c9 --- /dev/null +++ b/Mammals/Q63867/Q63867.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b13e9c563a59ab386bd70c07538868a9ef39b2ff8bab06b4cf2139b51de64efe +size 21440276 diff --git a/Mammals/Q63867/top.pdb b/Mammals/Q63867/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..dc5cf668595ce864f8ff971c3849e45d5d1034dd --- /dev/null +++ b/Mammals/Q63867/top.pdb @@ -0,0 +1,176 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLY A 1 300.698 274.881 262.563 1.00 0.00 C +ATOM 2 CA PRO A 2 301.628 271.701 260.681 1.00 0.00 C +ATOM 3 CA MET A 3 299.124 270.427 258.108 1.00 0.00 C +ATOM 4 CA GLY A 4 298.192 266.840 257.225 1.00 0.00 C +ATOM 5 CA PRO A 5 296.957 264.049 259.506 1.00 0.00 C +ATOM 6 CA PRO A 6 297.864 263.984 263.206 1.00 0.00 C +ATOM 7 CA GLY A 7 300.298 264.447 266.101 1.00 0.00 C +ATOM 8 CA ALA A 8 303.447 262.702 267.347 1.00 0.00 C +ATOM 9 CA ILE A 9 305.201 263.699 270.579 1.00 0.00 C +ATOM 10 CA GLY A 10 306.426 261.062 273.041 1.00 0.00 C +ATOM 11 CA PHE A 11 305.464 261.885 276.634 1.00 0.00 C +ATOM 12 CA PRO A 12 301.870 260.683 277.026 1.00 0.00 C +ATOM 13 CA GLY A 13 300.269 259.443 273.799 1.00 0.00 C +ATOM 14 CA PRO A 14 296.773 259.707 272.308 1.00 0.00 C +ATOM 15 CA LYS A 15 293.031 260.382 272.554 1.00 0.00 C +ATOM 16 CA GLY A 16 291.360 257.188 271.321 1.00 0.00 C +ATOM 17 CA GLU A 17 292.451 253.645 272.200 1.00 0.00 C +ATOM 18 CA GLY A 18 289.811 251.078 271.222 1.00 0.00 C +ATOM 19 CA GLY A 19 288.573 247.564 272.021 1.00 0.00 C +ATOM 20 CA VAL A 20 289.072 245.390 268.933 1.00 0.00 C +ATOM 21 CA VAL A 21 285.838 244.967 266.964 1.00 0.00 C +ATOM 22 CA GLY A 22 285.158 241.288 266.244 1.00 0.00 C +ATOM 23 CA PRO A 23 285.023 237.963 264.388 1.00 0.00 C +ATOM 24 CA GLN A 24 281.618 237.746 262.693 1.00 0.00 C +ATOM 25 CA GLY A 25 281.800 237.505 258.895 1.00 0.00 C +ATOM 26 CA PRO A 26 281.574 238.232 255.162 1.00 0.00 C +ATOM 27 CA PRO A 27 283.800 239.920 252.571 1.00 0.00 C +ATOM 28 CA GLY A 28 285.662 242.553 250.542 1.00 0.00 C +ATOM 29 CA PRO A 29 288.229 244.298 252.752 1.00 0.00 C +ATOM 30 CA LYS A 30 290.051 247.113 254.561 1.00 0.00 C +ATOM 31 CA GLY A 31 287.555 249.166 256.579 1.00 0.00 C +ATOM 32 CA GLU A 32 285.722 251.295 254.006 1.00 0.00 C +ATOM 33 CA PRO A 33 284.848 249.928 250.559 1.00 0.00 C +ATOM 34 CA GLY A 34 282.167 250.137 247.859 1.00 0.00 C +ATOM 35 CA LEU A 35 281.174 253.485 246.336 1.00 0.00 C +ATOM 36 CA GLN A 36 283.663 255.494 244.266 1.00 0.00 C +ATOM 37 CA GLY A 37 281.739 257.354 241.554 1.00 0.00 C +ATOM 38 CA PHE A 38 278.613 256.030 239.824 1.00 0.00 C +ATOM 39 CA PRO A 39 275.774 258.175 241.187 1.00 0.00 C +ATOM 40 CA GLY A 40 273.811 261.159 239.863 1.00 0.00 C +ATOM 41 CA LYS A 41 270.033 260.868 239.466 1.00 0.00 C +ATOM 42 CA PRO A 42 266.407 260.905 238.298 1.00 0.00 C +ATOM 43 CA GLY A 43 264.020 263.802 237.642 1.00 0.00 C +ATOM 44 CA PHE A 44 263.823 265.650 234.316 1.00 0.00 C +ATOM 45 CA LEU A 45 266.950 267.181 232.768 1.00 0.00 C +ATOM 46 CA GLY A 46 269.602 269.389 231.154 1.00 0.00 C +ATOM 47 CA GLU A 47 272.851 269.769 233.107 1.00 0.00 C +ATOM 48 CA VAL A 48 275.350 268.543 235.709 1.00 0.00 C +ATOM 49 CA GLY A 49 275.784 270.347 239.037 1.00 0.00 C +ATOM 50 CA PRO A 50 275.132 269.484 242.690 1.00 0.00 C +ATOM 51 CA PRO A 51 272.735 266.666 243.603 1.00 0.00 C +ATOM 52 CA GLY A 52 272.002 266.017 247.285 1.00 0.00 C +ATOM 53 CA MET A 53 268.878 267.335 249.022 1.00 0.00 C +ATOM 54 CA ARG A 54 266.110 265.309 250.679 1.00 0.00 C +ATOM 55 CA GLY A 55 263.870 263.332 253.043 1.00 0.00 C +ATOM 56 CA PHE A 56 262.510 260.301 251.178 1.00 0.00 C +ATOM 57 CA PRO A 57 263.691 257.672 248.687 1.00 0.00 C +ATOM 58 CA GLY A 58 264.598 255.808 245.489 1.00 0.00 C +ATOM 59 CA PRO A 59 261.619 253.545 244.768 1.00 0.00 C +ATOM 60 CA ILE A 60 258.548 254.661 242.809 1.00 0.00 C +ATOM 61 CA GLY A 61 257.428 258.267 243.320 1.00 0.00 C +ATOM 62 CA PRO A 62 257.160 261.882 242.148 1.00 0.00 C +ATOM 63 CA LYS A 63 259.464 264.147 244.166 1.00 0.00 C +ATOM 64 CA GLY A 64 258.402 266.140 247.235 1.00 0.00 C +ATOM 65 CA GLU A 65 256.438 263.648 249.345 1.00 0.00 C +ATOM 66 CA GLY A 66 255.648 260.960 251.926 1.00 0.00 C +ATOM 67 CA GLY A 67 256.695 261.388 255.565 1.00 0.00 C +ATOM 68 CA HIS A 68 257.050 264.803 257.215 1.00 0.00 C +ATOM 69 CA LYS A 69 258.095 268.235 255.930 1.00 0.00 C +ATOM 70 CA GLY A 70 257.011 271.676 257.153 1.00 0.00 C +ATOM 71 CA LEU A 71 257.205 274.656 259.520 1.00 0.00 C +ATOM 72 CA PRO A 72 255.011 275.329 262.561 1.00 0.00 C +ATOM 73 CA GLY A 73 251.772 276.862 263.856 1.00 0.00 C +ATOM 74 CA LEU A 74 249.884 280.112 264.478 1.00 0.00 C +ATOM 75 CA PRO A 75 246.170 280.614 265.166 1.00 0.00 C +ATOM 76 CA GLY A 76 244.135 281.092 261.981 1.00 0.00 C +ATOM 77 CA VAL A 77 245.538 279.527 258.804 1.00 0.00 C +ATOM 78 CA PRO A 78 245.088 279.835 255.033 1.00 0.00 C +ATOM 79 CA GLY A 79 242.875 278.597 252.189 1.00 0.00 C +ATOM 80 CA LEU A 80 243.107 280.372 248.826 1.00 0.00 C +ATOM 81 CA LEU A 81 245.420 279.464 245.937 1.00 0.00 C +ATOM 82 CA GLY A 82 244.502 277.045 243.141 1.00 0.00 C +ATOM 83 CA PRO A 83 243.045 277.609 239.666 1.00 0.00 C +ATOM 84 CA LYS A 84 245.168 279.455 237.098 1.00 0.00 C +ATOM 85 CA GLY A 85 246.385 277.682 233.953 1.00 0.00 C +ATOM 86 CA GLU A 86 250.134 277.227 234.460 1.00 0.00 C +ATOM 87 CA PRO A 87 252.692 276.515 237.192 1.00 0.00 C +ATOM 88 CA GLY A 88 252.246 273.399 239.338 1.00 0.00 C +ATOM 89 CA ILE A 89 252.516 269.874 237.918 1.00 0.00 C +ATOM 90 CA PRO A 90 254.203 266.574 237.033 1.00 0.00 C +ATOM 91 CA GLY A 91 251.752 263.662 237.216 1.00 0.00 C +ATOM 92 CA ASP A 92 248.282 264.499 238.548 1.00 0.00 C +ATOM 93 CA GLN A 93 245.488 265.164 241.051 1.00 0.00 C +ATOM 94 CA GLY A 94 243.776 268.383 242.157 1.00 0.00 C +ATOM 95 CA LEU A 95 244.413 270.086 245.506 1.00 0.00 C +ATOM 96 CA GLN A 96 243.331 270.777 249.092 1.00 0.00 C +ATOM 97 CA GLY A 97 241.833 267.847 251.012 1.00 0.00 C +ATOM 98 CA PRO A 98 239.819 269.402 253.848 1.00 0.00 C +ATOM 99 CA PRO A 99 237.636 268.034 256.655 1.00 0.00 C +ATOM 100 CA GLY A 100 235.791 264.798 255.854 1.00 0.00 C +ATOM 101 CA ILE A 101 232.109 264.069 256.506 1.00 0.00 C +ATOM 102 CA PRO A 102 230.103 263.823 253.276 1.00 0.00 C +ATOM 103 CA GLY A 103 226.519 262.700 253.916 1.00 0.00 C +ATOM 104 CA ILE A 104 226.219 260.334 256.887 1.00 0.00 C +ATOM 105 CA VAL A 105 229.150 258.171 258.002 1.00 0.00 C +ATOM 106 CA GLY A 106 231.867 255.556 257.458 1.00 0.00 C +ATOM 107 CA PRO A 107 231.719 253.094 254.554 1.00 0.00 C +ATOM 108 CA SER A 108 235.141 251.890 253.388 1.00 0.00 C +ATOM 109 CA GLY A 109 237.677 249.055 253.603 1.00 0.00 C +ATOM 110 CA PRO A 110 239.005 248.327 250.107 1.00 0.00 C +ATOM 111 CA ILE A 111 241.030 245.114 249.807 1.00 0.00 C +ATOM 112 CA GLY A 112 238.491 242.297 249.448 1.00 0.00 C +ATOM 113 CA PRO A 113 235.349 240.919 251.105 1.00 0.00 C +ATOM 114 CA PRO A 114 235.749 237.848 253.326 1.00 0.00 C +ATOM 115 CA GLY A 115 238.111 237.282 256.261 1.00 0.00 C +ATOM 116 CA ILE A 116 239.549 233.783 256.709 1.00 0.00 C +ATOM 117 CA PRO A 117 237.063 231.079 257.720 1.00 0.00 C +ATOM 118 CA GLY A 118 233.457 231.928 256.829 1.00 0.00 C +ATOM 119 CA PRO A 119 230.853 231.216 254.141 1.00 0.00 C +ATOM 120 CA LYS A 120 228.727 234.373 253.958 1.00 0.00 C +ATOM 121 CA GLY A 121 230.165 236.640 251.255 1.00 0.00 C +ATOM 122 CA GLU A 122 231.647 235.546 247.919 1.00 0.00 C +ATOM 123 CA PRO A 123 233.585 238.164 245.943 1.00 0.00 C +ATOM 124 CA GLY A 124 233.841 238.534 242.159 1.00 0.00 C +ATOM 125 CA LEU A 125 233.502 238.315 238.370 1.00 0.00 C +ATOM 126 CA PRO A 126 234.398 235.459 236.013 1.00 0.00 C +ATOM 127 CA GLY A 127 231.470 233.165 235.186 1.00 0.00 C +ATOM 128 CA PRO A 128 229.051 230.481 233.977 1.00 0.00 C +ATOM 129 CA PRO A 129 226.080 231.645 231.896 1.00 0.00 C +ATOM 130 CA GLY A 130 224.571 235.094 231.311 1.00 0.00 C +ATOM 131 CA PHE A 131 225.790 238.379 232.807 1.00 0.00 C +ATOM 132 CA PRO A 132 226.735 237.898 236.467 1.00 0.00 C +ATOM 133 CA GLY A 133 225.413 236.238 239.631 1.00 0.00 C +ATOM 134 CA VAL A 134 224.687 234.857 243.107 1.00 0.00 C +ATOM 135 CA GLY A 135 225.630 231.193 243.550 1.00 0.00 C +ATOM 136 CA LYS A 136 226.635 227.563 242.975 1.00 0.00 C +ATOM 137 CA PRO A 137 228.510 224.561 241.566 1.00 0.00 C +ATOM 138 CA GLY A 138 227.513 224.073 237.921 1.00 0.00 C +ATOM 139 CA VAL A 139 225.224 226.142 235.685 1.00 0.00 C +ATOM 140 CA ALA A 140 221.716 227.302 236.613 1.00 0.00 C +ATOM 141 CA GLY A 141 219.146 229.104 234.453 1.00 0.00 C +ATOM 142 CA LEU A 142 215.439 229.922 234.126 1.00 0.00 C +ATOM 143 CA HIS A 143 213.197 231.691 236.647 1.00 0.00 C +ATOM 144 CA GLY A 144 214.287 233.372 239.888 1.00 0.00 C +ATOM 145 CA PRO A 145 212.082 234.212 242.880 1.00 0.00 C +ATOM 146 CA PRO A 146 211.943 237.575 244.665 1.00 0.00 C +ATOM 147 CA GLY A 147 215.254 239.242 245.545 1.00 0.00 C +ATOM 148 CA LYS A 148 217.404 240.635 248.365 1.00 0.00 C +ATOM 149 CA PRO A 149 217.464 238.025 251.140 1.00 0.00 C +ATOM 150 CA GLY A 150 217.510 234.847 253.241 1.00 0.00 C +ATOM 151 CA ALA A 151 220.215 232.227 252.667 1.00 0.00 C +ATOM 152 CA LEU A 152 219.860 230.517 249.281 1.00 0.00 C +ATOM 153 CA GLY A 153 216.869 228.171 249.528 1.00 0.00 C +ATOM 154 CA PRO A 154 216.072 226.311 246.300 1.00 0.00 C +ATOM 155 CA GLN A 155 213.434 224.092 244.676 1.00 0.00 C +ATOM 156 CA GLY A 156 213.311 220.664 246.334 1.00 0.00 C +ATOM 157 CA GLN A 157 215.307 220.026 249.516 1.00 0.00 C +ATOM 158 CA PRO A 158 215.780 219.382 253.241 1.00 0.00 C +ATOM 159 CA GLY A 159 218.500 218.895 255.865 1.00 0.00 C +ATOM 160 CA LEU A 160 217.802 215.469 257.377 1.00 0.00 C +ATOM 161 CA PRO A 161 214.410 213.735 257.450 1.00 0.00 C +ATOM 162 CA GLY A 162 212.557 210.837 259.088 1.00 0.00 C +ATOM 163 CA PRO A 163 210.724 208.602 256.606 1.00 0.00 C +ATOM 164 CA PRO A 164 209.356 209.614 253.197 1.00 0.00 C +ATOM 165 CA GLY A 165 207.233 208.449 250.256 1.00 0.00 C +ATOM 166 CA PRO A 166 204.100 206.544 249.221 1.00 0.00 C +ATOM 167 CA PRO A 167 200.786 207.249 247.478 1.00 0.00 C +ATOM 168 CA GLY A 168 199.485 209.652 244.823 1.00 0.00 C +ATOM 169 CA PRO A 169 201.848 210.314 241.908 1.00 0.00 C +ATOM 170 CA PRO A 170 205.483 211.342 242.402 1.00 0.00 C +ATOM 171 CA GLY A 171 208.458 209.053 243.054 1.00 0.00 C +ATOM 172 CA PRO A 172 211.182 209.337 240.405 1.00 0.00 C +TER 173 PRO A 172 +END diff --git a/Mammals/Q63896/Q63896.dcd b/Mammals/Q63896/Q63896.dcd new file mode 100644 index 0000000000000000000000000000000000000000..822f30fadd1bc0348e55945513d1b05690cc2bea --- /dev/null +++ b/Mammals/Q63896/Q63896.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2cf824af1c4438fe5d624911446a83b07e82177a4365c92f45aba6bfba81d533 +size 5000276 diff --git a/Mammals/Q63896/top.pdb b/Mammals/Q63896/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c1d8116d5ad85e3303efee886f860b0d119c2d28 --- /dev/null +++ b/Mammals/Q63896/top.pdb @@ -0,0 +1,39 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA THR A 1 254.509 252.135 235.663 1.00 0.00 C +ATOM 2 CA LYS A 2 252.581 253.972 238.387 1.00 0.00 C +ATOM 3 CA ASP A 3 252.881 256.354 241.345 1.00 0.00 C +ATOM 4 CA GLU A 4 252.486 257.943 244.786 1.00 0.00 C +ATOM 5 CA SER A 5 250.939 261.359 245.457 1.00 0.00 C +ATOM 6 CA SER A 6 247.472 262.651 244.550 1.00 0.00 C +ATOM 7 CA SER A 7 243.950 261.271 244.093 1.00 0.00 C +ATOM 8 CA GLU A 8 240.819 259.949 242.371 1.00 0.00 C +ATOM 9 CA SER A 9 240.213 257.400 239.606 1.00 0.00 C +ATOM 10 CA GLU A 10 240.014 253.821 238.314 1.00 0.00 C +ATOM 11 CA VAL A 11 240.948 250.222 237.481 1.00 0.00 C +ATOM 12 CA GLU A 12 244.076 248.956 239.249 1.00 0.00 C +ATOM 13 CA ARG A 13 246.812 248.520 241.865 1.00 0.00 C +ATOM 14 CA GLU A 14 246.965 246.628 245.168 1.00 0.00 C +ATOM 15 CA THR A 15 248.380 248.740 248.006 1.00 0.00 C +ATOM 16 CA ILE A 16 248.767 251.743 250.318 1.00 0.00 C +ATOM 17 CA ARG A 17 246.922 255.038 249.812 1.00 0.00 C +ATOM 18 CA ARG A 18 244.196 255.851 252.347 1.00 0.00 C +ATOM 19 CA ARG A 19 244.464 259.368 253.787 1.00 0.00 C +ATOM 20 CA ARG A 20 248.189 260.135 254.016 1.00 0.00 C +ATOM 21 CA HIS A 21 249.832 258.745 257.161 1.00 0.00 C +ATOM 22 CA LYS A 22 249.211 255.046 257.828 1.00 0.00 C +ATOM 23 CA ARG A 23 249.981 251.777 259.627 1.00 0.00 C +ATOM 24 CA ARG A 24 250.355 248.409 261.370 1.00 0.00 C +ATOM 25 CA PRO A 25 250.014 244.796 260.210 1.00 0.00 C +ATOM 26 CA LYS A 26 252.346 242.978 257.808 1.00 0.00 C +ATOM 27 CA VAL A 27 255.100 245.304 256.575 1.00 0.00 C +ATOM 28 CA ARG A 28 258.827 246.092 256.486 1.00 0.00 C +ATOM 29 CA HIS A 29 261.306 243.416 257.587 1.00 0.00 C +ATOM 30 CA ALA A 30 260.424 240.199 259.427 1.00 0.00 C +ATOM 31 CA LYS A 31 256.894 239.124 260.378 1.00 0.00 C +ATOM 32 CA LYS A 32 255.244 236.709 257.936 1.00 0.00 C +ATOM 33 CA ARG A 33 253.228 234.515 255.562 1.00 0.00 C +ATOM 34 CA ARG A 34 255.367 231.839 253.894 1.00 0.00 C +ATOM 35 CA LYS A 35 256.289 228.997 251.530 1.00 0.00 C +TER 36 LYS A 35 +END diff --git a/Mammals/Q63962/Q63962.dcd b/Mammals/Q63962/Q63962.dcd new file mode 100644 index 0000000000000000000000000000000000000000..442dc2feec71c0d2ebd8743cd7b785e54ea679c8 --- /dev/null +++ b/Mammals/Q63962/Q63962.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9164b42e381d4987f30d85e493f008dd3886b8956942d3319d18ce74f5176428 +size 5600276 diff --git a/Mammals/Q63962/top.pdb b/Mammals/Q63962/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8d8a2cb1d197ac167bde0dbcf11e27a48292bb24 --- /dev/null +++ b/Mammals/Q63962/top.pdb @@ -0,0 +1,44 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ARG A 1 246.959 252.129 238.418 1.00 0.00 C +ATOM 2 CA ASN A 2 246.771 255.265 240.573 1.00 0.00 C +ATOM 3 CA PHE A 3 243.189 256.510 240.212 1.00 0.00 C +ATOM 4 CA SER A 4 242.718 259.682 238.155 1.00 0.00 C +ATOM 5 CA ALA A 5 246.126 261.109 237.224 1.00 0.00 C +ATOM 6 CA ALA A 6 248.859 263.510 236.092 1.00 0.00 C +ATOM 7 CA LYS A 7 252.665 263.347 236.143 1.00 0.00 C +ATOM 8 CA SER A 8 256.113 261.847 236.760 1.00 0.00 C +ATOM 9 CA LEU A 9 259.260 259.792 236.138 1.00 0.00 C +ATOM 10 CA LEU A 10 262.797 258.548 236.815 1.00 0.00 C +ATOM 11 CA LYS A 11 262.556 255.096 238.409 1.00 0.00 C +ATOM 12 CA LYS A 12 263.355 252.107 240.633 1.00 0.00 C +ATOM 13 CA PRO A 13 261.834 248.629 240.959 1.00 0.00 C +ATOM 14 CA ASP A 14 261.133 245.299 242.671 1.00 0.00 C +ATOM 15 CA GLY A 15 257.905 243.708 243.925 1.00 0.00 C +ATOM 16 CA VAL A 16 256.849 240.077 244.386 1.00 0.00 C +ATOM 17 CA LYS A 17 253.107 240.164 245.098 1.00 0.00 C +ATOM 18 CA LYS A 18 251.987 236.659 246.090 1.00 0.00 C +ATOM 19 CA ARG A 19 254.336 233.909 247.287 1.00 0.00 C +ATOM 20 CA LYS A 20 257.399 234.413 249.495 1.00 0.00 C +ATOM 21 CA SER A 21 258.964 237.124 251.668 1.00 0.00 C +ATOM 22 CA SER A 22 256.416 239.714 252.814 1.00 0.00 C +ATOM 23 CA SER A 23 254.365 242.748 253.864 1.00 0.00 C +ATOM 24 CA SER A 24 252.763 244.173 257.014 1.00 0.00 C +ATOM 25 CA VAL A 25 251.649 241.617 259.611 1.00 0.00 C +ATOM 26 CA GLN A 26 248.316 242.751 261.067 1.00 0.00 C +ATOM 27 CA MET A 27 245.401 244.165 263.072 1.00 0.00 C +ATOM 28 CA MET A 28 241.958 244.589 264.647 1.00 0.00 C +ATOM 29 CA GLU A 29 239.892 247.772 264.994 1.00 0.00 C +ATOM 30 CA SER A 30 242.209 250.624 266.000 1.00 0.00 C +ATOM 31 CA THR A 31 243.623 253.084 268.542 1.00 0.00 C +ATOM 32 CA GLU A 32 242.559 256.740 268.428 1.00 0.00 C +ATOM 33 CA SER A 33 240.171 258.002 265.740 1.00 0.00 C +ATOM 34 CA SER A 34 240.281 258.757 262.007 1.00 0.00 C +ATOM 35 CA ASN A 35 238.704 258.230 258.579 1.00 0.00 C +ATOM 36 CA THR A 36 240.546 256.973 255.489 1.00 0.00 C +ATOM 37 CA THR A 37 241.960 253.438 255.356 1.00 0.00 C +ATOM 38 CA ILE A 38 244.397 252.649 252.536 1.00 0.00 C +ATOM 39 CA GLU A 39 243.824 249.052 251.418 1.00 0.00 C +ATOM 40 CA ASP A 40 246.085 245.996 251.671 1.00 0.00 C +TER 41 ASP A 40 +END diff --git a/Mammals/Q63982/Q63982.dcd b/Mammals/Q63982/Q63982.dcd new file mode 100644 index 0000000000000000000000000000000000000000..cb5df62c6f74e03a2751c62417fd50042bdc5d64 --- /dev/null +++ b/Mammals/Q63982/Q63982.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f3d941188594b077580d3c4bada7e87c4f24c0cc817be1adf876eb30bb647cc8 +size 6320276 diff --git a/Mammals/Q63982/top.pdb b/Mammals/Q63982/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..fcb64e87c0e403d591ae3eb17c7909537eed418e --- /dev/null +++ b/Mammals/Q63982/top.pdb @@ -0,0 +1,50 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLU A 1 236.325 230.396 263.382 1.00 0.00 C +ATOM 2 CA ARG A 2 239.980 230.741 264.401 1.00 0.00 C +ATOM 3 CA GLN A 3 242.629 232.912 262.732 1.00 0.00 C +ATOM 4 CA THR A 4 245.478 235.429 262.986 1.00 0.00 C +ATOM 5 CA THR A 5 248.804 233.580 263.185 1.00 0.00 C +ATOM 6 CA HIS A 6 252.228 234.521 261.805 1.00 0.00 C +ATOM 7 CA SER A 7 254.123 237.520 263.195 1.00 0.00 C +ATOM 8 CA ILE A 8 253.288 237.850 266.897 1.00 0.00 C +ATOM 9 CA LYS A 9 254.230 240.505 269.463 1.00 0.00 C +ATOM 10 CA LEU A 10 254.003 244.291 269.820 1.00 0.00 C +ATOM 11 CA LYS A 11 256.399 246.725 271.508 1.00 0.00 C +ATOM 12 CA GLY A 12 259.611 248.488 270.464 1.00 0.00 C +ATOM 13 CA GLU A 13 259.322 249.413 266.780 1.00 0.00 C +ATOM 14 CA ARG A 14 257.317 251.227 264.095 1.00 0.00 C +ATOM 15 CA ASP A 15 254.221 252.053 262.033 1.00 0.00 C +ATOM 16 CA TYR A 16 252.917 251.958 258.455 1.00 0.00 C +ATOM 17 CA GLY A 17 250.357 253.782 256.301 1.00 0.00 C +ATOM 18 CA GLU A 18 247.709 251.494 254.793 1.00 0.00 C +ATOM 19 CA LYS A 19 248.895 247.935 255.459 1.00 0.00 C +ATOM 20 CA HIS A 20 250.204 244.508 254.433 1.00 0.00 C +ATOM 21 CA ARG A 21 250.785 244.369 250.670 1.00 0.00 C +ATOM 22 CA ASN A 22 247.882 244.982 248.281 1.00 0.00 C +ATOM 23 CA ASP A 23 244.150 245.423 248.912 1.00 0.00 C +ATOM 24 CA GLY A 24 241.755 247.983 250.402 1.00 0.00 C +ATOM 25 CA LYS A 25 238.433 247.701 248.557 1.00 0.00 C +ATOM 26 CA ILE A 26 236.232 249.127 245.794 1.00 0.00 C +ATOM 27 CA VAL A 27 235.359 249.080 242.086 1.00 0.00 C +ATOM 28 CA ALA A 28 236.455 250.929 238.940 1.00 0.00 C +ATOM 29 CA SER A 29 239.920 251.498 237.462 1.00 0.00 C +ATOM 30 CA SER A 30 240.517 255.195 236.760 1.00 0.00 C +ATOM 31 CA ASP A 31 241.849 258.681 235.992 1.00 0.00 C +ATOM 32 CA LEU A 32 244.536 259.972 238.364 1.00 0.00 C +ATOM 33 CA GLU A 33 248.321 259.728 238.000 1.00 0.00 C +ATOM 34 CA SER A 34 250.311 262.106 235.787 1.00 0.00 C +ATOM 35 CA PRO A 35 248.464 264.698 233.693 1.00 0.00 C +ATOM 36 CA ARG A 36 249.184 268.284 232.624 1.00 0.00 C +ATOM 37 CA PRO A 37 252.862 268.523 231.658 1.00 0.00 C +ATOM 38 CA CYS A 38 255.016 267.418 234.600 1.00 0.00 C +ATOM 39 CA GLY A 39 258.011 267.489 236.955 1.00 0.00 C +ATOM 40 CA VAL A 40 258.980 264.022 238.200 1.00 0.00 C +ATOM 41 CA THR A 41 258.678 260.227 238.042 1.00 0.00 C +ATOM 42 CA ASN A 42 257.781 257.527 240.576 1.00 0.00 C +ATOM 43 CA GLU A 43 260.177 254.640 239.909 1.00 0.00 C +ATOM 44 CA LEU A 44 261.034 251.055 240.870 1.00 0.00 C +ATOM 45 CA TRP A 45 262.600 248.527 238.487 1.00 0.00 C +ATOM 46 CA GLU A 46 262.667 245.487 236.191 1.00 0.00 C +TER 47 GLU A 46 +END diff --git a/Mammals/Q63Z38/Q63Z38.dcd b/Mammals/Q63Z38/Q63Z38.dcd new file mode 100644 index 0000000000000000000000000000000000000000..be5288814e170d1d600db2c5fb9f6a583d95b566 --- /dev/null +++ b/Mammals/Q63Z38/Q63Z38.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:52bb546daff7d78bce907368a4629f4f464922ba13faf238943acec3f8415073 +size 5240276 diff --git a/Mammals/Q63Z38/top.pdb b/Mammals/Q63Z38/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..816dc24015ee8ee942b6c17626ab749cbd9895b7 --- /dev/null +++ b/Mammals/Q63Z38/top.pdb @@ -0,0 +1,41 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ALA A 1 244.875 232.863 229.048 1.00 0.00 C +ATOM 2 CA TYR A 2 248.415 233.879 228.072 1.00 0.00 C +ATOM 3 CA THR A 3 251.584 235.928 228.594 1.00 0.00 C +ATOM 4 CA ASP A 4 254.899 237.543 229.555 1.00 0.00 C +ATOM 5 CA ASP A 5 256.529 237.841 232.986 1.00 0.00 C +ATOM 6 CA LEU A 6 254.382 238.789 235.987 1.00 0.00 C +ATOM 7 CA GLY A 7 251.087 237.983 237.721 1.00 0.00 C +ATOM 8 CA ALA A 8 250.839 239.520 241.198 1.00 0.00 C +ATOM 9 CA VAL A 9 250.346 236.752 243.770 1.00 0.00 C +ATOM 10 CA GLY A 10 253.719 235.125 244.470 1.00 0.00 C +ATOM 11 CA GLY A 11 256.642 236.762 246.285 1.00 0.00 C +ATOM 12 CA ALA A 12 259.859 234.737 246.553 1.00 0.00 C +ATOM 13 CA CYS A 13 261.828 236.190 249.474 1.00 0.00 C +ATOM 14 CA LEU A 14 261.219 236.046 253.232 1.00 0.00 C +ATOM 15 CA GLU A 15 258.453 237.756 255.216 1.00 0.00 C +ATOM 16 CA ASP A 16 259.739 238.057 258.790 1.00 0.00 C +ATOM 17 CA GLU A 17 258.282 238.511 262.281 1.00 0.00 C +ATOM 18 CA ALA A 18 256.866 242.000 262.861 1.00 0.00 C +ATOM 19 CA SER A 19 253.062 242.206 262.864 1.00 0.00 C +ATOM 20 CA ALA A 20 252.055 245.874 263.083 1.00 0.00 C +ATOM 21 CA PRO A 21 248.559 247.009 262.082 1.00 0.00 C +ATOM 22 CA ARG A 22 247.103 249.623 264.442 1.00 0.00 C +ATOM 23 CA LEU A 23 247.280 252.996 266.204 1.00 0.00 C +ATOM 24 CA ASP A 24 248.342 256.423 264.920 1.00 0.00 C +ATOM 25 CA GLU A 25 247.418 260.032 264.123 1.00 0.00 C +ATOM 26 CA ASP A 26 245.482 260.215 260.847 1.00 0.00 C +ATOM 27 CA SER A 27 245.448 259.222 257.169 1.00 0.00 C +ATOM 28 CA GLU A 28 245.649 261.121 253.872 1.00 0.00 C +ATOM 29 CA HIS A 29 245.845 264.876 253.255 1.00 0.00 C +ATOM 30 CA PRO A 30 245.310 266.888 256.446 1.00 0.00 C +ATOM 31 CA PRO A 31 244.329 270.531 255.920 1.00 0.00 C +ATOM 32 CA MET A 32 242.649 271.918 252.794 1.00 0.00 C +ATOM 33 CA ILE A 33 244.332 272.138 249.384 1.00 0.00 C +ATOM 34 CA LEU A 34 242.670 274.338 246.754 1.00 0.00 C +ATOM 35 CA ARG A 35 239.173 273.926 245.297 1.00 0.00 C +ATOM 36 CA THR A 36 239.157 275.810 241.986 1.00 0.00 C +ATOM 37 CA ASP A 37 236.575 278.570 242.466 1.00 0.00 C +TER 38 ASP A 37 +END diff --git a/Mammals/Q64053/Q64053.dcd b/Mammals/Q64053/Q64053.dcd new file mode 100644 index 0000000000000000000000000000000000000000..edb27dd9c07477eaea2f6b8e5bb8bb2ba53ad9d0 --- /dev/null +++ b/Mammals/Q64053/Q64053.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5e33d66dd12961a13a50fe327d5f0628fddc4a008b50ea4128dbd66565e8854a +size 17000276 diff --git a/Mammals/Q64053/top.pdb b/Mammals/Q64053/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0dae94af6477deae6df75c2aa6865cd4fccf0b0a --- /dev/null +++ b/Mammals/Q64053/top.pdb @@ -0,0 +1,139 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 257.121 235.747 232.878 1.00 0.00 C +ATOM 2 CA GLY A 2 257.340 239.283 234.279 1.00 0.00 C +ATOM 3 CA THR A 3 256.999 243.076 234.152 1.00 0.00 C +ATOM 4 CA ARG A 4 256.513 244.079 230.509 1.00 0.00 C +ATOM 5 CA ALA A 5 255.849 246.606 227.736 1.00 0.00 C +ATOM 6 CA ALA A 6 257.246 249.822 226.247 1.00 0.00 C +ATOM 7 CA ARG A 7 258.579 250.606 222.764 1.00 0.00 C +ATOM 8 CA SER A 8 256.801 252.898 220.293 1.00 0.00 C +ATOM 9 CA LEU A 9 255.177 254.792 217.414 1.00 0.00 C +ATOM 10 CA ARG A 10 253.360 252.283 215.196 1.00 0.00 C +ATOM 11 CA ARG A 11 250.043 251.564 216.927 1.00 0.00 C +ATOM 12 CA ARG A 12 248.769 251.633 220.517 1.00 0.00 C +ATOM 13 CA HIS A 13 244.988 251.214 220.721 1.00 0.00 C +ATOM 14 CA ARG A 14 242.137 248.689 220.843 1.00 0.00 C +ATOM 15 CA ARG A 15 240.775 247.206 224.077 1.00 0.00 C +ATOM 16 CA ARG A 16 242.193 246.484 227.539 1.00 0.00 C +ATOM 17 CA SER A 17 245.008 246.817 230.085 1.00 0.00 C +ATOM 18 CA VAL A 18 247.848 246.447 232.597 1.00 0.00 C +ATOM 19 CA LEU A 19 250.035 243.432 231.794 1.00 0.00 C +ATOM 20 CA GLU A 20 251.002 241.640 235.014 1.00 0.00 C +ATOM 21 CA SER A 21 250.920 241.305 238.809 1.00 0.00 C +ATOM 22 CA GLY A 22 251.419 237.602 239.550 1.00 0.00 C +ATOM 23 CA GLY A 23 253.600 234.899 241.116 1.00 0.00 C +ATOM 24 CA GLY A 24 253.507 231.090 241.116 1.00 0.00 C +ATOM 25 CA THR A 25 254.417 227.405 241.448 1.00 0.00 C +ATOM 26 CA ILE A 26 253.714 225.385 238.296 1.00 0.00 C +ATOM 27 CA TRP A 27 251.986 227.659 235.773 1.00 0.00 C +ATOM 28 CA GLY A 28 252.306 228.694 232.121 1.00 0.00 C +ATOM 29 CA PRO A 29 250.235 227.905 229.021 1.00 0.00 C +ATOM 30 CA ARG A 30 248.787 231.224 227.837 1.00 0.00 C +ATOM 31 CA ALA A 31 247.217 234.472 229.061 1.00 0.00 C +ATOM 32 CA ALA A 32 246.470 236.620 232.118 1.00 0.00 C +ATOM 33 CA ASP A 33 245.517 238.308 235.398 1.00 0.00 C +ATOM 34 CA PRO A 34 244.012 238.178 238.895 1.00 0.00 C +ATOM 35 CA SER A 35 242.235 240.647 241.189 1.00 0.00 C +ATOM 36 CA PRO A 36 239.160 239.462 243.102 1.00 0.00 C +ATOM 37 CA PRO A 37 236.895 237.115 241.134 1.00 0.00 C +ATOM 38 CA PRO A 38 233.086 237.106 241.038 1.00 0.00 C +ATOM 39 CA ALA A 39 231.668 239.633 238.565 1.00 0.00 C +ATOM 40 CA PRO A 40 230.380 243.140 237.818 1.00 0.00 C +ATOM 41 CA PRO A 41 230.892 246.310 235.767 1.00 0.00 C +ATOM 42 CA PRO A 42 230.536 249.883 237.042 1.00 0.00 C +ATOM 43 CA GLY A 43 233.957 251.552 237.201 1.00 0.00 C +ATOM 44 CA HIS A 44 236.703 249.274 235.864 1.00 0.00 C +ATOM 45 CA GLN A 45 240.166 249.303 234.275 1.00 0.00 C +ATOM 46 CA LEU A 46 242.664 248.529 237.046 1.00 0.00 C +ATOM 47 CA ARG A 47 242.994 251.455 239.464 1.00 0.00 C +ATOM 48 CA LEU A 48 240.245 253.866 240.533 1.00 0.00 C +ATOM 49 CA HIS A 49 238.280 253.939 243.796 1.00 0.00 C +ATOM 50 CA CYS A 50 239.733 254.587 247.258 1.00 0.00 C +ATOM 51 CA SER A 51 242.163 254.398 250.186 1.00 0.00 C +ATOM 52 CA ARG A 52 240.937 252.710 253.374 1.00 0.00 C +ATOM 53 CA PRO A 53 239.478 253.771 256.730 1.00 0.00 C +ATOM 54 CA GLY A 54 235.800 254.763 256.757 1.00 0.00 C +ATOM 55 CA LEU A 55 234.973 258.432 256.148 1.00 0.00 C +ATOM 56 CA GLU A 56 234.361 262.100 256.975 1.00 0.00 C +ATOM 57 CA ALA A 57 234.232 264.527 259.909 1.00 0.00 C +ATOM 58 CA PRO A 58 231.500 264.365 262.559 1.00 0.00 C +ATOM 59 CA GLY A 59 231.561 261.418 264.973 1.00 0.00 C +ATOM 60 CA SER A 60 230.549 259.463 268.083 1.00 0.00 C +ATOM 61 CA GLU A 61 230.526 258.283 271.705 1.00 0.00 C +ATOM 62 CA CYS A 62 228.306 257.327 274.650 1.00 0.00 C +ATOM 63 CA ARG A 63 226.752 260.529 276.012 1.00 0.00 C +ATOM 64 CA ARG A 64 223.667 262.524 275.005 1.00 0.00 C +ATOM 65 CA GLU A 65 222.175 265.232 272.777 1.00 0.00 C +ATOM 66 CA SER A 66 225.025 266.676 270.702 1.00 0.00 C +ATOM 67 CA CYS A 67 226.000 265.454 267.227 1.00 0.00 C +ATOM 68 CA LEU A 68 223.453 264.274 264.650 1.00 0.00 C +ATOM 69 CA GLY A 69 220.166 265.013 262.872 1.00 0.00 C +ATOM 70 CA ARG A 70 219.098 268.278 261.224 1.00 0.00 C +ATOM 71 CA GLY A 71 220.942 269.692 258.205 1.00 0.00 C +ATOM 72 CA ALA A 72 223.397 267.659 256.118 1.00 0.00 C +ATOM 73 CA LEU A 73 225.054 264.266 256.628 1.00 0.00 C +ATOM 74 CA GLU A 74 228.778 264.488 255.854 1.00 0.00 C +ATOM 75 CA THR A 75 229.626 267.827 254.227 1.00 0.00 C +ATOM 76 CA PRO A 76 231.271 268.560 250.870 1.00 0.00 C +ATOM 77 CA SER A 77 233.276 265.431 250.034 1.00 0.00 C +ATOM 78 CA GLY A 78 232.276 263.422 246.954 1.00 0.00 C +ATOM 79 CA SER A 79 229.303 262.181 244.921 1.00 0.00 C +ATOM 80 CA GLU A 80 229.503 260.604 241.459 1.00 0.00 C +ATOM 81 CA ARG A 81 233.204 260.076 240.722 1.00 0.00 C +ATOM 82 CA SER A 82 236.113 262.520 241.012 1.00 0.00 C +ATOM 83 CA PRO A 83 237.659 265.216 238.809 1.00 0.00 C +ATOM 84 CA GLU A 84 240.392 267.082 240.697 1.00 0.00 C +ATOM 85 CA THR A 85 243.163 265.310 242.620 1.00 0.00 C +ATOM 86 CA SER A 86 245.683 262.456 242.479 1.00 0.00 C +ATOM 87 CA GLY A 87 248.037 262.894 245.442 1.00 0.00 C +ATOM 88 CA GLY A 88 250.000 265.675 247.154 1.00 0.00 C +ATOM 89 CA SER A 89 252.480 265.092 249.987 1.00 0.00 C +ATOM 90 CA ALA A 90 252.946 262.580 252.813 1.00 0.00 C +ATOM 91 CA ARG A 91 254.561 259.230 253.641 1.00 0.00 C +ATOM 92 CA HIS A 92 254.629 255.644 254.927 1.00 0.00 C +ATOM 93 CA ARG A 93 255.005 255.387 258.710 1.00 0.00 C +ATOM 94 CA HIS A 94 251.932 256.955 260.327 1.00 0.00 C +ATOM 95 CA PRO A 95 253.045 258.615 263.570 1.00 0.00 C +ATOM 96 CA PRO A 96 254.193 262.100 262.545 1.00 0.00 C +ATOM 97 CA ARG A 97 257.626 262.688 264.088 1.00 0.00 C +ATOM 98 CA HIS A 98 258.507 259.863 266.489 1.00 0.00 C +ATOM 99 CA GLY A 99 258.833 256.127 265.821 1.00 0.00 C +ATOM 100 CA GLU A 100 259.024 252.460 266.838 1.00 0.00 C +ATOM 101 CA LEU A 101 258.420 250.839 270.233 1.00 0.00 C +ATOM 102 CA SER A 102 258.666 247.091 269.593 1.00 0.00 C +ATOM 103 CA ARG A 103 259.298 243.476 270.615 1.00 0.00 C +ATOM 104 CA GLY A 104 260.726 240.610 272.679 1.00 0.00 C +ATOM 105 CA GLY A 105 261.543 237.012 271.727 1.00 0.00 C +ATOM 106 CA THR A 106 263.994 235.241 269.409 1.00 0.00 C +ATOM 107 CA ALA A 107 267.091 234.449 271.483 1.00 0.00 C +ATOM 108 CA ALA A 108 270.643 233.072 271.467 1.00 0.00 C +ATOM 109 CA PRO A 109 272.515 233.504 268.177 1.00 0.00 C +ATOM 110 CA SER A 110 271.874 232.475 264.565 1.00 0.00 C +ATOM 111 CA GLU A 111 275.124 231.121 263.108 1.00 0.00 C +ATOM 112 CA SER A 112 277.349 230.034 266.003 1.00 0.00 C +ATOM 113 CA GLN A 113 279.077 232.111 268.689 1.00 0.00 C +ATOM 114 CA LEU A 114 282.854 232.228 268.202 1.00 0.00 C +ATOM 115 CA ALA A 115 283.539 232.408 264.459 1.00 0.00 C +ATOM 116 CA LYS A 116 286.044 233.944 262.034 1.00 0.00 C +ATOM 117 CA ALA A 117 288.472 235.291 259.425 1.00 0.00 C +ATOM 118 CA ASP A 118 288.127 238.252 257.052 1.00 0.00 C +ATOM 119 CA HIS A 119 286.957 241.809 257.759 1.00 0.00 C +ATOM 120 CA ALA A 120 283.923 244.056 258.269 1.00 0.00 C +ATOM 121 CA HIS A 121 280.807 246.189 257.762 1.00 0.00 C +ATOM 122 CA GLY A 122 277.636 247.547 259.380 1.00 0.00 C +ATOM 123 CA GLY A 123 274.701 246.000 257.507 1.00 0.00 C +ATOM 124 CA ILE A 124 274.707 242.344 258.580 1.00 0.00 C +ATOM 125 CA SER A 125 276.231 241.285 261.907 1.00 0.00 C +ATOM 126 CA MET A 126 276.545 242.557 265.485 1.00 0.00 C +ATOM 127 CA GLU A 127 275.123 246.067 265.902 1.00 0.00 C +ATOM 128 CA VAL A 128 273.074 248.746 264.131 1.00 0.00 C +ATOM 129 CA ARG A 129 271.839 251.034 261.345 1.00 0.00 C +ATOM 130 CA SER A 130 270.134 254.049 262.933 1.00 0.00 C +ATOM 131 CA LEU A 131 268.745 257.596 262.883 1.00 0.00 C +ATOM 132 CA VAL A 132 266.804 260.507 261.373 1.00 0.00 C +ATOM 133 CA THR A 133 263.102 259.703 260.967 1.00 0.00 C +ATOM 134 CA ASN A 134 260.296 261.004 258.742 1.00 0.00 C +ATOM 135 CA LEU A 135 261.353 263.852 256.442 1.00 0.00 C +TER 136 LEU A 135 +END diff --git a/Mammals/Q64125/Q64125.dcd b/Mammals/Q64125/Q64125.dcd new file mode 100644 index 0000000000000000000000000000000000000000..a5a6f06ad65cd7518f549cc856cee14000e7ff20 --- /dev/null +++ b/Mammals/Q64125/Q64125.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:519f685df8a156d260338e0ad9f1ffd1cda47a2cb57582bc587f85ba53329ddf +size 51420276 diff --git a/Mammals/Q64125/top.pdb b/Mammals/Q64125/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..66b61f495f0f25c87ea3a6cf5220972777ba525e --- /dev/null +++ b/Mammals/Q64125/top.pdb @@ -0,0 +1,283 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA LEU A 1 257.485 254.115 221.653 1.00 0.00 C +ATOM 2 CA PRO A 2 257.229 256.193 224.836 1.00 0.00 C +ATOM 3 CA VAL A 3 255.236 255.355 227.973 1.00 0.00 C +ATOM 4 CA LYS A 4 256.271 252.007 229.468 1.00 0.00 C +ATOM 5 CA VAL A 5 257.501 251.071 232.951 1.00 0.00 C +ATOM 6 CA THR A 6 255.425 248.445 234.769 1.00 0.00 C +ATOM 7 CA ASP A 7 257.406 245.999 236.915 1.00 0.00 C +ATOM 8 CA SER A 8 261.181 245.489 236.852 1.00 0.00 C +ATOM 9 CA GLY A 9 264.627 243.868 236.968 1.00 0.00 C +ATOM 10 CA SER A 10 266.897 244.490 233.972 1.00 0.00 C +ATOM 11 CA SER A 11 268.593 243.248 230.795 1.00 0.00 C +ATOM 12 CA GLU A 12 270.973 240.403 229.926 1.00 0.00 C +ATOM 13 CA GLU A 13 269.322 236.995 230.346 1.00 0.00 C +ATOM 14 CA LYS A 14 266.575 235.141 232.225 1.00 0.00 C +ATOM 15 CA LYS A 15 264.501 237.293 234.588 1.00 0.00 C +ATOM 16 CA LEU A 16 265.966 237.225 238.105 1.00 0.00 C +ATOM 17 CA TYR A 17 266.495 238.302 241.721 1.00 0.00 C +ATOM 18 CA SER A 18 263.083 239.087 243.222 1.00 0.00 C +ATOM 19 CA LEU A 19 260.269 237.222 244.989 1.00 0.00 C +ATOM 20 CA HIS A 20 258.949 235.597 248.173 1.00 0.00 C +ATOM 21 CA PRO A 21 261.764 233.420 249.532 1.00 0.00 C +ATOM 22 CA ASP A 22 265.170 233.790 251.200 1.00 0.00 C +ATOM 23 CA PRO A 23 268.401 235.441 250.038 1.00 0.00 C +ATOM 24 CA ILE A 24 270.985 236.637 252.570 1.00 0.00 C +ATOM 25 CA ALA A 25 272.891 239.936 252.526 1.00 0.00 C +ATOM 26 CA THR A 26 276.390 239.671 251.040 1.00 0.00 C +ATOM 27 CA TRP A 27 278.936 242.494 251.294 1.00 0.00 C +ATOM 28 CA LEU A 28 282.174 243.201 249.416 1.00 0.00 C +ATOM 29 CA VAL A 29 282.595 245.541 246.438 1.00 0.00 C +ATOM 30 CA PRO A 30 281.248 249.068 246.951 1.00 0.00 C +ATOM 31 CA ASP A 31 282.227 252.747 246.818 1.00 0.00 C +ATOM 32 CA PRO A 32 283.212 256.416 247.120 1.00 0.00 C +ATOM 33 CA SER A 33 281.670 258.472 244.307 1.00 0.00 C +ATOM 34 CA GLN A 34 278.659 257.509 242.181 1.00 0.00 C +ATOM 35 CA LYS A 35 277.183 257.295 238.675 1.00 0.00 C +ATOM 36 CA GLN A 36 274.997 256.957 235.573 1.00 0.00 C +ATOM 37 CA ASN A 37 276.354 256.129 232.110 1.00 0.00 C +ATOM 38 CA LEU A 38 275.170 255.697 228.515 1.00 0.00 C +ATOM 39 CA LEU A 39 275.081 253.585 225.345 1.00 0.00 C +ATOM 40 CA ALA A 40 271.864 251.556 225.112 1.00 0.00 C +ATOM 41 CA PRO A 41 270.888 248.475 227.130 1.00 0.00 C +ATOM 42 CA GLN A 42 271.665 245.502 224.877 1.00 0.00 C +ATOM 43 CA ASN A 43 269.121 242.825 223.940 1.00 0.00 C +ATOM 44 CA ALA A 44 269.460 241.014 220.605 1.00 0.00 C +ATOM 45 CA VAL A 45 269.896 237.286 221.260 1.00 0.00 C +ATOM 46 CA SER A 46 266.589 235.479 221.816 1.00 0.00 C +ATOM 47 CA SER A 47 265.236 235.486 225.377 1.00 0.00 C +ATOM 48 CA GLU A 48 261.441 235.157 225.479 1.00 0.00 C +ATOM 49 CA GLU A 49 258.131 233.275 225.628 1.00 0.00 C +ATOM 50 CA LYS A 50 258.370 231.034 228.700 1.00 0.00 C +ATOM 51 CA ASP A 51 257.442 231.426 232.374 1.00 0.00 C +ATOM 52 CA ASP A 52 253.816 232.371 233.064 1.00 0.00 C +ATOM 53 CA PHE A 53 251.879 234.504 235.557 1.00 0.00 C +ATOM 54 CA LYS A 54 249.193 232.454 237.317 1.00 0.00 C +ATOM 55 CA GLN A 55 249.515 231.782 241.054 1.00 0.00 C +ATOM 56 CA GLU A 56 247.836 234.352 243.311 1.00 0.00 C +ATOM 57 CA THR A 57 248.325 237.898 244.617 1.00 0.00 C +ATOM 58 CA LEU A 58 249.436 240.233 247.414 1.00 0.00 C +ATOM 59 CA PRO A 59 251.165 241.353 250.620 1.00 0.00 C +ATOM 60 CA SER A 60 251.776 242.763 254.106 1.00 0.00 C +ATOM 61 CA ASN A 61 248.379 242.522 255.815 1.00 0.00 C +ATOM 62 CA SER A 62 246.407 239.978 257.853 1.00 0.00 C +ATOM 63 CA ASN A 63 244.023 237.865 259.944 1.00 0.00 C +ATOM 64 CA GLU A 64 244.652 235.048 262.431 1.00 0.00 C +ATOM 65 CA SER A 65 247.610 233.129 263.874 1.00 0.00 C +ATOM 66 CA HIS A 66 250.698 232.302 265.947 1.00 0.00 C +ATOM 67 CA ASP A 67 250.633 229.232 268.201 1.00 0.00 C +ATOM 68 CA HIS A 68 251.476 227.905 271.672 1.00 0.00 C +ATOM 69 CA MET A 69 250.613 228.438 275.344 1.00 0.00 C +ATOM 70 CA ASP A 70 253.956 228.366 277.171 1.00 0.00 C +ATOM 71 CA ASP A 71 256.573 230.249 279.202 1.00 0.00 C +ATOM 72 CA ASP A 72 259.942 228.746 280.151 1.00 0.00 C +ATOM 73 CA ASP A 73 260.024 224.941 280.329 1.00 0.00 C +ATOM 74 CA ASP A 74 258.699 221.707 281.848 1.00 0.00 C +ATOM 75 CA ASP A 75 257.479 222.568 285.353 1.00 0.00 C +ATOM 76 CA ASP A 76 257.296 221.282 288.935 1.00 0.00 C +ATOM 77 CA ASP A 77 256.549 224.002 291.496 1.00 0.00 C +ATOM 78 CA ASP A 78 258.023 227.458 292.131 1.00 0.00 C +ATOM 79 CA ASP A 79 256.409 229.615 294.825 1.00 0.00 C +ATOM 80 CA GLY A 80 253.962 227.555 296.896 1.00 0.00 C +ATOM 81 CA ASP A 81 253.002 228.449 300.473 1.00 0.00 C +ATOM 82 CA HIS A 82 249.795 228.493 302.530 1.00 0.00 C +ATOM 83 CA ALA A 83 247.711 228.246 305.710 1.00 0.00 C +ATOM 84 CA GLU A 84 244.006 227.408 306.002 1.00 0.00 C +ATOM 85 CA ASN A 85 241.506 227.363 303.128 1.00 0.00 C +ATOM 86 CA GLU A 86 242.539 227.985 299.514 1.00 0.00 C +ATOM 87 CA ASP A 87 243.866 227.513 295.973 1.00 0.00 C +ATOM 88 CA SER A 88 247.579 226.868 295.418 1.00 0.00 C +ATOM 89 CA VAL A 89 248.096 223.106 295.102 1.00 0.00 C +ATOM 90 CA ASP A 90 250.191 219.980 294.508 1.00 0.00 C +ATOM 91 CA SER A 91 253.521 218.900 296.012 1.00 0.00 C +ATOM 92 CA ASP A 92 255.110 215.863 297.677 1.00 0.00 C +ATOM 93 CA GLU A 93 254.360 213.004 300.081 1.00 0.00 C +ATOM 94 CA SER A 94 250.966 211.277 300.204 1.00 0.00 C +ATOM 95 CA ASP A 95 247.933 212.211 302.313 1.00 0.00 C +ATOM 96 CA GLU A 96 247.638 214.080 305.620 1.00 0.00 C +ATOM 97 CA SER A 97 246.600 217.650 306.453 1.00 0.00 C +ATOM 98 CA HIS A 98 245.258 220.995 307.689 1.00 0.00 C +ATOM 99 CA HIS A 99 241.622 222.134 307.674 1.00 0.00 C +ATOM 100 CA SER A 100 239.495 219.294 309.061 1.00 0.00 C +ATOM 101 CA ASP A 101 238.398 215.663 309.426 1.00 0.00 C +ATOM 102 CA GLU A 102 239.998 214.140 312.530 1.00 0.00 C +ATOM 103 CA SER A 103 241.377 210.590 312.424 1.00 0.00 C +ATOM 104 CA ASP A 104 242.621 208.535 315.381 1.00 0.00 C +ATOM 105 CA GLU A 105 244.304 205.375 316.683 1.00 0.00 C +ATOM 106 CA THR A 106 245.500 206.094 320.229 1.00 0.00 C +ATOM 107 CA PHE A 107 243.418 205.654 323.389 1.00 0.00 C +ATOM 108 CA THR A 108 244.695 208.334 325.779 1.00 0.00 C +ATOM 109 CA ALA A 109 246.808 207.211 328.744 1.00 0.00 C +ATOM 110 CA SER A 110 249.256 206.692 331.617 1.00 0.00 C +ATOM 111 CA THR A 111 251.671 206.442 334.553 1.00 0.00 C +ATOM 112 CA GLN A 112 254.295 209.203 334.592 1.00 0.00 C +ATOM 113 CA ALA A 113 254.062 212.197 332.247 1.00 0.00 C +ATOM 114 CA ASP A 114 254.926 211.362 328.632 1.00 0.00 C +ATOM 115 CA THR A 115 258.362 209.714 328.671 1.00 0.00 C +ATOM 116 CA PHE A 116 260.041 207.986 325.720 1.00 0.00 C +ATOM 117 CA THR A 117 261.221 207.253 322.172 1.00 0.00 C +ATOM 118 CA PRO A 118 259.731 208.941 319.099 1.00 0.00 C +ATOM 119 CA ILE A 119 260.694 209.477 315.451 1.00 0.00 C +ATOM 120 CA VAL A 120 264.428 209.156 314.765 1.00 0.00 C +ATOM 121 CA PRO A 121 267.722 207.969 313.265 1.00 0.00 C +ATOM 122 CA THR A 122 268.332 208.416 309.531 1.00 0.00 C +ATOM 123 CA VAL A 123 267.605 206.964 306.084 1.00 0.00 C +ATOM 124 CA ASP A 124 266.506 203.369 305.463 1.00 0.00 C +ATOM 125 CA VAL A 125 262.896 202.428 306.239 1.00 0.00 C +ATOM 126 CA PRO A 126 261.183 199.403 304.680 1.00 0.00 C +ATOM 127 CA ASP A 127 257.889 198.334 303.092 1.00 0.00 C +ATOM 128 CA GLY A 128 255.525 196.011 301.212 1.00 0.00 C +ATOM 129 CA ARG A 129 254.453 195.246 297.637 1.00 0.00 C +ATOM 130 CA GLY A 130 251.719 193.051 296.146 1.00 0.00 C +ATOM 131 CA ASP A 131 249.646 190.664 294.020 1.00 0.00 C +ATOM 132 CA SER A 132 248.738 188.290 291.182 1.00 0.00 C +ATOM 133 CA LEU A 133 246.845 185.737 289.081 1.00 0.00 C +ATOM 134 CA ALA A 134 248.246 182.730 287.206 1.00 0.00 C +ATOM 135 CA TYR A 135 249.196 183.251 283.553 1.00 0.00 C +ATOM 136 CA GLY A 136 250.844 186.290 281.951 1.00 0.00 C +ATOM 137 CA LEU A 137 252.466 187.654 278.785 1.00 0.00 C +ATOM 138 CA ARG A 138 255.189 189.736 277.120 1.00 0.00 C +ATOM 139 CA SER A 139 253.798 191.496 274.040 1.00 0.00 C +ATOM 140 CA LYS A 140 252.372 192.552 270.668 1.00 0.00 C +ATOM 141 CA SER A 141 253.077 192.314 266.932 1.00 0.00 C +ATOM 142 CA ARG A 142 255.708 192.048 264.189 1.00 0.00 C +ATOM 143 CA SER A 143 257.240 195.246 262.798 1.00 0.00 C +ATOM 144 CA PHE A 144 260.509 195.858 260.938 1.00 0.00 C +ATOM 145 CA GLN A 145 259.482 197.543 257.679 1.00 0.00 C +ATOM 146 CA VAL A 146 259.457 200.486 255.259 1.00 0.00 C +ATOM 147 CA SER A 147 256.000 201.117 253.787 1.00 0.00 C +ATOM 148 CA ASP A 148 253.556 201.990 256.575 1.00 0.00 C +ATOM 149 CA GLU A 149 250.657 204.427 256.996 1.00 0.00 C +ATOM 150 CA GLN A 150 251.553 208.090 256.455 1.00 0.00 C +ATOM 151 CA TYR A 151 251.228 211.168 254.233 1.00 0.00 C +ATOM 152 CA PRO A 152 252.772 211.294 250.752 1.00 0.00 C +ATOM 153 CA ASP A 153 253.968 214.793 249.836 1.00 0.00 C +ATOM 154 CA ALA A 154 252.390 217.728 251.684 1.00 0.00 C +ATOM 155 CA THR A 155 250.967 221.090 252.775 1.00 0.00 C +ATOM 156 CA TYR A 156 247.484 222.117 253.927 1.00 0.00 C +ATOM 157 CA GLU A 157 244.835 223.677 251.676 1.00 0.00 C +ATOM 158 CA ASP A 158 243.643 227.166 250.714 1.00 0.00 C +ATOM 159 CA LEU A 159 243.723 229.628 247.807 1.00 0.00 C +ATOM 160 CA THR A 160 240.806 232.012 247.242 1.00 0.00 C +ATOM 161 CA SER A 161 240.396 234.135 244.105 1.00 0.00 C +ATOM 162 CA HIS A 162 241.270 237.810 243.610 1.00 0.00 C +ATOM 163 CA MET A 163 242.944 241.231 243.482 1.00 0.00 C +ATOM 164 CA LYS A 164 242.786 242.529 247.060 1.00 0.00 C +ATOM 165 CA SER A 165 241.640 243.085 250.651 1.00 0.00 C +ATOM 166 CA GLY A 166 237.837 243.131 250.884 1.00 0.00 C +ATOM 167 CA GLU A 167 234.131 242.276 250.664 1.00 0.00 C +ATOM 168 CA SER A 168 232.161 245.504 250.194 1.00 0.00 C +ATOM 169 CA LYS A 169 228.520 246.475 249.629 1.00 0.00 C +ATOM 170 CA GLU A 170 227.812 247.519 246.034 1.00 0.00 C +ATOM 171 CA SER A 171 229.030 251.098 245.560 1.00 0.00 C +ATOM 172 CA LEU A 172 230.806 254.423 245.004 1.00 0.00 C +ATOM 173 CA ASN A 173 230.498 257.994 243.711 1.00 0.00 C +ATOM 174 CA VAL A 174 229.748 259.173 240.167 1.00 0.00 C +ATOM 175 CA ILE A 175 227.889 262.024 238.454 1.00 0.00 C +ATOM 176 CA PRO A 176 227.704 263.723 235.049 1.00 0.00 C +ATOM 177 CA VAL A 177 228.407 264.018 231.316 1.00 0.00 C +ATOM 178 CA ALA A 178 230.572 265.479 228.542 1.00 0.00 C +ATOM 179 CA GLN A 179 231.866 266.312 225.057 1.00 0.00 C +ATOM 180 CA LEU A 180 232.390 264.407 221.799 1.00 0.00 C +ATOM 181 CA LEU A 181 230.588 266.348 219.060 1.00 0.00 C +ATOM 182 CA SER A 182 226.890 266.566 218.167 1.00 0.00 C +ATOM 183 CA MET A 183 225.548 270.130 218.248 1.00 0.00 C +ATOM 184 CA PRO A 184 224.015 272.002 215.305 1.00 0.00 C +ATOM 185 CA SER A 185 222.737 274.968 213.283 1.00 0.00 C +ATOM 186 CA ASP A 186 221.318 278.364 214.268 1.00 0.00 C +ATOM 187 CA GLN A 187 220.165 281.343 216.345 1.00 0.00 C +ATOM 188 CA ASP A 188 221.955 283.354 219.041 1.00 0.00 C +ATOM 189 CA ASN A 189 224.443 286.200 219.515 1.00 0.00 C +ATOM 190 CA ASN A 190 227.830 285.393 217.969 1.00 0.00 C +ATOM 191 CA GLY A 191 229.424 282.403 219.711 1.00 0.00 C +ATOM 192 CA ARG A 192 232.039 283.357 222.312 1.00 0.00 C +ATOM 193 CA GLY A 193 232.637 286.260 224.706 1.00 0.00 C +ATOM 194 CA SER A 194 231.313 289.735 225.535 1.00 0.00 C +ATOM 195 CA HIS A 195 232.138 293.426 225.073 1.00 0.00 C +ATOM 196 CA GLU A 196 235.925 293.653 224.723 1.00 0.00 C +ATOM 197 CA SER A 197 238.641 291.098 223.946 1.00 0.00 C +ATOM 198 CA SER A 198 241.123 291.455 226.815 1.00 0.00 C +ATOM 199 CA GLN A 199 241.408 292.206 230.539 1.00 0.00 C +ATOM 200 CA LEU A 200 242.537 294.181 233.595 1.00 0.00 C +ATOM 201 CA ASP A 201 244.636 293.742 236.745 1.00 0.00 C +ATOM 202 CA GLU A 202 243.925 292.101 240.109 1.00 0.00 C +ATOM 203 CA PRO A 203 242.632 288.562 240.673 1.00 0.00 C +ATOM 204 CA SER A 204 242.771 285.315 238.685 1.00 0.00 C +ATOM 205 CA LEU A 205 242.327 282.170 240.788 1.00 0.00 C +ATOM 206 CA GLU A 206 243.119 282.736 244.471 1.00 0.00 C +ATOM 207 CA THR A 207 245.589 284.765 246.545 1.00 0.00 C +ATOM 208 CA HIS A 208 247.756 287.819 245.842 1.00 0.00 C +ATOM 209 CA SER A 209 249.946 290.556 244.350 1.00 0.00 C +ATOM 210 CA LEU A 210 249.738 294.349 244.067 1.00 0.00 C +ATOM 211 CA GLU A 211 249.272 295.813 247.553 1.00 0.00 C +ATOM 212 CA HIS A 212 249.548 298.696 250.029 1.00 0.00 C +ATOM 213 CA SER A 213 252.389 301.169 250.601 1.00 0.00 C +ATOM 214 CA LYS A 214 255.354 299.892 248.579 1.00 0.00 C +ATOM 215 CA GLU A 215 256.254 301.951 245.502 1.00 0.00 C +ATOM 216 CA SER A 216 253.578 301.519 242.824 1.00 0.00 C +ATOM 217 CA HIS A 217 253.599 299.190 239.809 1.00 0.00 C +ATOM 218 CA GLU A 218 256.572 297.681 237.966 1.00 0.00 C +ATOM 219 CA SER A 219 260.135 296.542 237.244 1.00 0.00 C +ATOM 220 CA ALA A 220 262.767 298.911 235.836 1.00 0.00 C +ATOM 221 CA ASP A 221 264.408 296.992 232.983 1.00 0.00 C +ATOM 222 CA GLN A 222 264.665 295.400 229.531 1.00 0.00 C +ATOM 223 CA SER A 223 267.355 292.703 229.620 1.00 0.00 C +ATOM 224 CA ASP A 224 268.056 290.238 226.801 1.00 0.00 C +ATOM 225 CA VAL A 225 268.378 286.568 227.770 1.00 0.00 C +ATOM 226 CA ILE A 226 267.865 282.833 227.214 1.00 0.00 C +ATOM 227 CA ASP A 227 267.212 282.089 223.535 1.00 0.00 C +ATOM 228 CA SER A 228 266.752 282.781 219.816 1.00 0.00 C +ATOM 229 CA GLN A 229 269.364 282.012 217.151 1.00 0.00 C +ATOM 230 CA ALA A 230 268.174 280.950 213.691 1.00 0.00 C +ATOM 231 CA SER A 231 264.681 282.441 213.380 1.00 0.00 C +ATOM 232 CA SER A 232 262.762 285.687 213.924 1.00 0.00 C +ATOM 233 CA LYS A 233 259.375 287.412 214.184 1.00 0.00 C +ATOM 234 CA ALA A 234 256.947 289.656 216.079 1.00 0.00 C +ATOM 235 CA SER A 235 254.837 287.918 218.733 1.00 0.00 C +ATOM 236 CA LEU A 236 252.112 289.412 220.937 1.00 0.00 C +ATOM 237 CA GLU A 237 249.656 290.075 223.774 1.00 0.00 C +ATOM 238 CA HIS A 238 247.598 287.158 225.103 1.00 0.00 C +ATOM 239 CA GLN A 239 247.063 287.345 228.871 1.00 0.00 C +ATOM 240 CA SER A 240 247.200 284.241 231.076 1.00 0.00 C +ATOM 241 CA HIS A 241 245.630 281.713 233.455 1.00 0.00 C +ATOM 242 CA LYS A 242 244.405 278.591 235.263 1.00 0.00 C +ATOM 243 CA PHE A 243 243.067 275.827 233.007 1.00 0.00 C +ATOM 244 CA HIS A 244 239.276 275.800 233.383 1.00 0.00 C +ATOM 245 CA SER A 245 238.073 279.172 232.079 1.00 0.00 C +ATOM 246 CA HIS A 246 240.059 279.894 228.908 1.00 0.00 C +ATOM 247 CA LYS A 247 239.297 278.873 225.318 1.00 0.00 C +ATOM 248 CA ASP A 248 238.932 280.530 221.906 1.00 0.00 C +ATOM 249 CA LYS A 249 238.394 283.294 219.340 1.00 0.00 C +ATOM 250 CA LEU A 250 240.621 286.378 219.559 1.00 0.00 C +ATOM 251 CA VAL A 251 241.805 289.137 217.214 1.00 0.00 C +ATOM 252 CA LEU A 252 240.214 288.750 213.773 1.00 0.00 C +ATOM 253 CA ASP A 253 238.686 288.044 210.356 1.00 0.00 C +ATOM 254 CA PRO A 254 235.230 289.437 209.560 1.00 0.00 C +ATOM 255 CA LYS A 255 234.015 291.763 206.798 1.00 0.00 C +ATOM 256 CA SER A 256 231.593 294.486 207.912 1.00 0.00 C +ATOM 257 CA LYS A 257 232.086 298.000 206.527 1.00 0.00 C +ATOM 258 CA GLU A 258 233.972 300.442 204.292 1.00 0.00 C +ATOM 259 CA ASP A 259 236.081 301.459 201.286 1.00 0.00 C +ATOM 260 CA ASP A 260 234.316 304.417 199.657 1.00 0.00 C +ATOM 261 CA ARG A 261 232.547 303.754 196.348 1.00 0.00 C +ATOM 262 CA HIS A 262 233.431 306.766 194.188 1.00 0.00 C +ATOM 263 CA LEU A 263 233.172 310.534 194.686 1.00 0.00 C +ATOM 264 CA LYS A 264 229.866 312.394 195.040 1.00 0.00 C +ATOM 265 CA PHE A 265 228.465 315.936 195.086 1.00 0.00 C +ATOM 266 CA ARG A 266 231.419 318.235 194.372 1.00 0.00 C +ATOM 267 CA ILE A 267 233.993 317.985 191.575 1.00 0.00 C +ATOM 268 CA SER A 268 233.733 317.108 187.876 1.00 0.00 C +ATOM 269 CA HIS A 269 231.691 317.012 184.661 1.00 0.00 C +ATOM 270 CA GLU A 270 230.139 313.618 183.893 1.00 0.00 C +ATOM 271 CA LEU A 271 232.009 310.298 183.911 1.00 0.00 C +ATOM 272 CA GLU A 272 231.182 306.818 182.600 1.00 0.00 C +ATOM 273 CA SER A 273 229.678 304.615 185.320 1.00 0.00 C +ATOM 274 CA SER A 274 229.729 300.809 185.492 1.00 0.00 C +ATOM 275 CA SER A 275 228.357 297.550 186.911 1.00 0.00 C +ATOM 276 CA SER A 276 227.986 295.796 190.273 1.00 0.00 C +ATOM 277 CA GLU A 277 226.071 292.503 190.354 1.00 0.00 C +ATOM 278 CA VAL A 278 224.476 290.699 193.306 1.00 0.00 C +ATOM 279 CA ASN A 279 226.497 288.488 195.661 1.00 0.00 C +TER 280 ASN A 279 +END diff --git a/Mammals/Q64243/Q64243.dcd b/Mammals/Q64243/Q64243.dcd new file mode 100644 index 0000000000000000000000000000000000000000..41a2032d842847606458c821bf6d9c9c5517e4f4 --- /dev/null +++ b/Mammals/Q64243/Q64243.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:46d91ca2a414bd4cc27d4586e8833b2c120b1f9102f0dbe65efa71bf821963b5 +size 5720276 diff --git a/Mammals/Q64243/top.pdb b/Mammals/Q64243/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7217121082b6291de32ea3c429adfa8c21949702 --- /dev/null +++ b/Mammals/Q64243/top.pdb @@ -0,0 +1,45 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ASN A 1 239.716 267.159 251.034 1.00 0.00 C +ATOM 2 CA SER A 2 239.503 263.409 251.670 1.00 0.00 C +ATOM 3 CA ASN A 3 242.846 261.589 251.829 1.00 0.00 C +ATOM 4 CA VAL A 4 243.238 259.691 255.109 1.00 0.00 C +ATOM 5 CA SER A 5 240.134 259.847 257.314 1.00 0.00 C +ATOM 6 CA GLN A 6 237.494 257.125 257.683 1.00 0.00 C +ATOM 7 CA ALA A 7 235.828 253.832 258.632 1.00 0.00 C +ATOM 8 CA SER A 8 234.493 252.280 261.844 1.00 0.00 C +ATOM 9 CA MET A 9 237.348 251.893 264.337 1.00 0.00 C +ATOM 10 CA SER A 10 241.004 252.857 263.872 1.00 0.00 C +ATOM 11 CA SER A 11 242.427 252.153 260.409 1.00 0.00 C +ATOM 12 CA ARG A 12 244.812 249.687 258.752 1.00 0.00 C +ATOM 13 CA MET A 13 243.999 248.374 255.269 1.00 0.00 C +ATOM 14 CA VAL A 14 244.079 250.390 252.037 1.00 0.00 C +ATOM 15 CA PRO A 15 246.461 253.155 250.945 1.00 0.00 C +ATOM 16 CA GLY A 16 248.657 256.262 251.164 1.00 0.00 C +ATOM 17 CA LEU A 17 252.276 255.081 251.320 1.00 0.00 C +ATOM 18 CA PRO A 18 253.965 251.700 251.801 1.00 0.00 C +ATOM 19 CA ALA A 19 253.285 248.427 249.971 1.00 0.00 C +ATOM 20 CA ASN A 20 250.791 245.570 249.609 1.00 0.00 C +ATOM 21 CA GLY A 21 252.707 242.310 250.068 1.00 0.00 C +ATOM 22 CA LYS A 22 254.145 239.798 247.590 1.00 0.00 C +ATOM 23 CA MET A 23 252.347 236.476 247.094 1.00 0.00 C +ATOM 24 CA HIS A 24 248.731 237.465 246.416 1.00 0.00 C +ATOM 25 CA SER A 25 248.261 241.026 245.146 1.00 0.00 C +ATOM 26 CA THR A 26 248.094 243.120 241.968 1.00 0.00 C +ATOM 27 CA VAL A 27 247.222 244.864 238.695 1.00 0.00 C +ATOM 28 CA ASP A 28 249.972 244.834 236.058 1.00 0.00 C +ATOM 29 CA CYS A 29 251.918 241.609 236.629 1.00 0.00 C +ATOM 30 CA ASN A 30 255.593 241.072 237.481 1.00 0.00 C +ATOM 31 CA GLY A 31 257.669 238.774 239.701 1.00 0.00 C +ATOM 32 CA VAL A 32 259.624 239.076 242.956 1.00 0.00 C +ATOM 33 CA VAL A 33 260.431 242.661 243.963 1.00 0.00 C +ATOM 34 CA SER A 34 258.873 245.819 242.511 1.00 0.00 C +ATOM 35 CA LEU A 35 258.091 249.544 242.330 1.00 0.00 C +ATOM 36 CA GLY A 36 258.268 250.733 245.946 1.00 0.00 C +ATOM 37 CA THR A 37 261.272 252.840 246.970 1.00 0.00 C +ATOM 38 CA THR A 38 260.238 255.736 249.220 1.00 0.00 C +ATOM 39 CA THR A 39 262.308 255.967 252.410 1.00 0.00 C +ATOM 40 CA GLU A 40 265.260 257.137 254.515 1.00 0.00 C +ATOM 41 CA THR A 41 266.618 258.659 257.734 1.00 0.00 C +TER 42 THR A 41 +END diff --git a/Mammals/Q64256/Q64256.dcd b/Mammals/Q64256/Q64256.dcd new file mode 100644 index 0000000000000000000000000000000000000000..9c51cd793e0e0f57349fbfca1e3a5dc7985c3a17 --- /dev/null +++ b/Mammals/Q64256/Q64256.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7638f41713f500532f80ec11183b8480465a6ccf8031f4597f1d5a50100d19d8 +size 13280276 diff --git a/Mammals/Q64256/top.pdb b/Mammals/Q64256/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1d2cc41373220ca6d3f6ec634ad24c3c5c9d44f7 --- /dev/null +++ b/Mammals/Q64256/top.pdb @@ -0,0 +1,108 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 231.516 280.719 250.284 1.00 0.00 C +ATOM 2 CA GLY A 2 233.607 283.856 249.735 1.00 0.00 C +ATOM 3 CA SER A 3 236.660 285.500 251.313 1.00 0.00 C +ATOM 4 CA ARG A 4 236.922 284.037 254.822 1.00 0.00 C +ATOM 5 CA CYS A 5 236.443 280.809 256.786 1.00 0.00 C +ATOM 6 CA ALA A 6 239.066 278.334 255.558 1.00 0.00 C +ATOM 7 CA LYS A 7 242.564 277.067 256.380 1.00 0.00 C +ATOM 8 CA LEU A 8 245.164 277.500 253.629 1.00 0.00 C +ATOM 9 CA SER A 9 246.152 276.587 250.064 1.00 0.00 C +ATOM 10 CA THR A 10 245.065 274.504 247.065 1.00 0.00 C +ATOM 11 CA GLY A 11 246.245 273.917 243.490 1.00 0.00 C +ATOM 12 CA HIS A 12 243.716 271.727 241.667 1.00 0.00 C +ATOM 13 CA GLY A 13 240.682 269.714 240.544 1.00 0.00 C +ATOM 14 CA PRO A 14 236.934 270.219 240.080 1.00 0.00 C +ATOM 15 CA ALA A 15 235.272 270.223 236.651 1.00 0.00 C +ATOM 16 CA GLN A 16 233.955 273.769 236.194 1.00 0.00 C +ATOM 17 CA ASN A 17 234.406 277.315 234.876 1.00 0.00 C +ATOM 18 CA THR A 18 235.472 280.133 232.544 1.00 0.00 C +ATOM 19 CA GLY A 19 236.801 280.665 229.013 1.00 0.00 C +ATOM 20 CA HIS A 20 240.245 279.354 228.044 1.00 0.00 C +ATOM 21 CA SER A 21 241.662 276.498 225.958 1.00 0.00 C +ATOM 22 CA ARG A 22 242.633 273.419 227.981 1.00 0.00 C +ATOM 23 CA GLY A 23 245.510 270.955 228.391 1.00 0.00 C +ATOM 24 CA HIS A 24 246.943 267.974 226.501 1.00 0.00 C +ATOM 25 CA GLU A 25 249.872 267.108 224.224 1.00 0.00 C +ATOM 26 CA SER A 26 249.652 264.795 221.204 1.00 0.00 C +ATOM 27 CA SER A 27 253.010 263.061 220.727 1.00 0.00 C +ATOM 28 CA MET A 28 253.125 261.768 217.145 1.00 0.00 C +ATOM 29 CA LYS A 29 249.730 260.760 215.738 1.00 0.00 C +ATOM 30 CA LYS A 30 248.129 261.580 212.379 1.00 0.00 C +ATOM 31 CA LEU A 31 249.949 262.749 209.242 1.00 0.00 C +ATOM 32 CA VAL A 32 249.112 264.749 206.110 1.00 0.00 C +ATOM 33 CA ALA A 33 250.571 268.258 206.390 1.00 0.00 C +ATOM 34 CA CYS A 34 249.556 271.930 206.403 1.00 0.00 C +ATOM 35 CA VAL A 35 250.205 273.793 209.662 1.00 0.00 C +ATOM 36 CA SER A 36 246.920 273.759 211.592 1.00 0.00 C +ATOM 37 CA GLN A 37 244.256 272.600 214.058 1.00 0.00 C +ATOM 38 CA ASP A 38 242.113 274.770 216.342 1.00 0.00 C +ATOM 39 CA ASN A 39 240.702 277.700 218.326 1.00 0.00 C +ATOM 40 CA PHE A 40 237.279 276.801 219.737 1.00 0.00 C +ATOM 41 CA SER A 41 234.454 278.137 221.917 1.00 0.00 C +ATOM 42 CA LEU A 42 231.378 278.553 224.126 1.00 0.00 C +ATOM 43 CA SER A 43 230.761 276.524 227.291 1.00 0.00 C +ATOM 44 CA SER A 44 227.589 276.213 229.379 1.00 0.00 C +ATOM 45 CA GLU A 45 225.716 275.852 232.677 1.00 0.00 C +ATOM 46 CA GLY A 46 224.154 273.347 235.085 1.00 0.00 C +ATOM 47 CA GLU A 47 225.981 270.074 235.773 1.00 0.00 C +ATOM 48 CA GLU A 48 226.728 266.672 234.228 1.00 0.00 C +ATOM 49 CA GLU A 49 229.729 264.808 235.655 1.00 0.00 C +ATOM 50 CA GLU A 50 229.858 261.001 235.648 1.00 0.00 C +ATOM 51 CA GLU A 51 232.127 258.142 236.740 1.00 0.00 C +ATOM 52 CA ASP A 52 232.220 255.475 239.460 1.00 0.00 C +ATOM 53 CA GLU A 53 233.574 252.331 241.133 1.00 0.00 C +ATOM 54 CA GLU A 54 236.339 251.751 243.689 1.00 0.00 C +ATOM 55 CA ASP A 55 239.398 253.224 245.420 1.00 0.00 C +ATOM 56 CA GLU A 56 242.768 252.173 246.852 1.00 0.00 C +ATOM 57 CA GLU A 57 245.852 253.833 248.353 1.00 0.00 C +ATOM 58 CA GLU A 58 249.111 254.250 246.424 1.00 0.00 C +ATOM 59 CA GLU A 59 249.596 253.471 242.726 1.00 0.00 C +ATOM 60 CA ASP A 60 252.152 255.455 240.714 1.00 0.00 C +ATOM 61 CA ASP A 61 252.707 258.884 239.148 1.00 0.00 C +ATOM 62 CA ASP A 62 254.850 261.764 237.873 1.00 0.00 C +ATOM 63 CA GLU A 63 256.633 263.127 240.951 1.00 0.00 C +ATOM 64 CA GLU A 64 255.704 265.089 244.083 1.00 0.00 C +ATOM 65 CA ASP A 65 255.002 264.144 247.707 1.00 0.00 C +ATOM 66 CA GLU A 66 257.056 261.431 249.420 1.00 0.00 C +ATOM 67 CA GLU A 67 258.102 259.752 252.676 1.00 0.00 C +ATOM 68 CA GLU A 68 260.738 257.518 254.282 1.00 0.00 C +ATOM 69 CA GLU A 69 262.797 255.048 256.325 1.00 0.00 C +ATOM 70 CA GLN A 70 261.782 251.376 256.329 1.00 0.00 C +ATOM 71 CA ILE A 71 262.041 248.157 254.308 1.00 0.00 C +ATOM 72 CA PRO A 72 260.878 244.533 254.496 1.00 0.00 C +ATOM 73 CA VAL A 73 261.584 241.532 256.735 1.00 0.00 C +ATOM 74 CA LYS A 74 263.369 242.004 260.068 1.00 0.00 C +ATOM 75 CA GLY A 75 261.012 241.611 263.036 1.00 0.00 C +ATOM 76 CA LYS A 76 259.611 238.213 264.039 1.00 0.00 C +ATOM 77 CA LEU A 77 261.061 236.018 266.795 1.00 0.00 C +ATOM 78 CA LEU A 78 260.436 234.967 270.404 1.00 0.00 C +ATOM 79 CA LEU A 79 257.039 233.290 270.805 1.00 0.00 C +ATOM 80 CA LEU A 80 257.322 229.505 271.140 1.00 0.00 C +ATOM 81 CA GLU A 81 256.683 226.227 269.307 1.00 0.00 C +ATOM 82 CA PRO A 82 257.509 222.932 271.032 1.00 0.00 C +ATOM 83 CA GLU A 83 259.626 219.782 270.697 1.00 0.00 C +ATOM 84 CA LYS A 84 261.316 217.821 273.493 1.00 0.00 C +ATOM 85 CA GLN A 85 260.757 215.643 276.568 1.00 0.00 C +ATOM 86 CA ASP A 86 258.898 212.336 276.920 1.00 0.00 C +ATOM 87 CA GLY A 87 259.818 209.947 279.742 1.00 0.00 C +ATOM 88 CA ALA A 88 260.434 206.728 281.685 1.00 0.00 C +ATOM 89 CA GLU A 89 258.688 205.360 284.783 1.00 0.00 C +ATOM 90 CA ASP A 90 259.227 202.082 286.649 1.00 0.00 C +ATOM 91 CA ALA A 91 259.962 198.634 288.093 1.00 0.00 C +ATOM 92 CA VAL A 92 262.591 195.877 288.042 1.00 0.00 C +ATOM 93 CA ALA A 93 265.607 196.128 290.356 1.00 0.00 C +ATOM 94 CA GLN A 94 268.262 195.499 293.015 1.00 0.00 C +ATOM 95 CA PRO A 95 272.057 195.356 293.326 1.00 0.00 C +ATOM 96 CA SER A 96 275.398 197.187 293.287 1.00 0.00 C +ATOM 97 CA PRO A 97 277.913 194.867 294.963 1.00 0.00 C +ATOM 98 CA GLU A 98 278.941 192.630 297.871 1.00 0.00 C +ATOM 99 CA PRO A 99 280.650 189.262 298.375 1.00 0.00 C +ATOM 100 CA LYS A 100 278.337 186.309 297.706 1.00 0.00 C +ATOM 101 CA GLN A 101 276.513 184.944 300.760 1.00 0.00 C +ATOM 102 CA LYS A 102 273.835 183.161 302.801 1.00 0.00 C +ATOM 103 CA HIS A 103 271.205 185.837 303.461 1.00 0.00 C +ATOM 104 CA SER A 104 268.746 185.228 306.307 1.00 0.00 C +TER 105 SER A 104 +END diff --git a/Mammals/Q64532/Q64532.dcd b/Mammals/Q64532/Q64532.dcd new file mode 100644 index 0000000000000000000000000000000000000000..3ef984d988dc5215189c27739623babc6a7be72a --- /dev/null +++ b/Mammals/Q64532/Q64532.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fc8b6ffdb2eb94632b0c513146b9a272e5df94f82e9485509638f4973ac35303 +size 10160276 diff --git a/Mammals/Q64532/top.pdb b/Mammals/Q64532/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..16d611d6f264ca9a08f198c952e4af4e8e9a00ca --- /dev/null +++ b/Mammals/Q64532/top.pdb @@ -0,0 +1,82 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 268.340 225.660 263.575 1.00 0.00 C +ATOM 2 CA GLY A 2 265.938 228.616 263.468 1.00 0.00 C +ATOM 3 CA SER A 3 264.749 230.638 260.466 1.00 0.00 C +ATOM 4 CA SER A 4 262.246 233.509 260.566 1.00 0.00 C +ATOM 5 CA LYS A 5 261.985 235.495 257.325 1.00 0.00 C +ATOM 6 CA SER A 6 260.687 234.343 253.933 1.00 0.00 C +ATOM 7 CA LYS A 7 260.284 232.418 250.670 1.00 0.00 C +ATOM 8 CA PRO A 8 256.715 232.115 249.371 1.00 0.00 C +ATOM 9 CA LYS A 9 254.038 229.736 250.672 1.00 0.00 C +ATOM 10 CA ASP A 10 251.139 231.891 251.881 1.00 0.00 C +ATOM 11 CA PRO A 11 248.351 234.464 251.534 1.00 0.00 C +ATOM 12 CA SER A 12 247.746 238.213 251.848 1.00 0.00 C +ATOM 13 CA GLN A 13 247.235 241.788 253.061 1.00 0.00 C +ATOM 14 CA ARG A 14 249.979 244.420 252.814 1.00 0.00 C +ATOM 15 CA ARG A 15 253.177 243.001 251.305 1.00 0.00 C +ATOM 16 CA ARG A 16 254.016 240.580 248.485 1.00 0.00 C +ATOM 17 CA SER A 17 256.442 239.564 245.728 1.00 0.00 C +ATOM 18 CA LEU A 18 259.710 240.996 244.392 1.00 0.00 C +ATOM 19 CA GLU A 19 261.494 238.570 242.059 1.00 0.00 C +ATOM 20 CA PRO A 20 264.105 236.000 241.012 1.00 0.00 C +ATOM 21 CA PRO A 21 266.886 234.049 239.287 1.00 0.00 C +ATOM 22 CA ASP A 22 265.813 230.611 238.043 1.00 0.00 C +ATOM 23 CA SER A 23 263.262 228.207 236.550 1.00 0.00 C +ATOM 24 CA THR A 24 259.516 228.433 237.205 1.00 0.00 C +ATOM 25 CA HIS A 25 255.814 229.288 236.926 1.00 0.00 C +ATOM 26 CA HIS A 26 255.546 231.550 233.872 1.00 0.00 C +ATOM 27 CA GLY A 27 253.277 234.422 234.930 1.00 0.00 C +ATOM 28 CA GLY A 28 252.041 237.415 236.938 1.00 0.00 C +ATOM 29 CA PHE A 29 254.882 238.996 238.924 1.00 0.00 C +ATOM 30 CA PRO A 30 256.915 242.196 238.545 1.00 0.00 C +ATOM 31 CA ALA A 31 254.645 245.227 238.959 1.00 0.00 C +ATOM 32 CA SER A 32 250.949 244.606 239.648 1.00 0.00 C +ATOM 33 CA GLN A 33 248.689 242.434 241.813 1.00 0.00 C +ATOM 34 CA THR A 34 248.540 241.270 245.438 1.00 0.00 C +ATOM 35 CA PRO A 35 244.933 240.364 246.262 1.00 0.00 C +ATOM 36 CA ASP A 36 244.137 237.419 243.980 1.00 0.00 C +ATOM 37 CA GLU A 37 244.761 234.879 241.209 1.00 0.00 C +ATOM 38 CA THR A 38 245.077 231.095 241.521 1.00 0.00 C +ATOM 39 CA ALA A 39 243.927 229.820 244.922 1.00 0.00 C +ATOM 40 CA ALA A 40 241.601 232.309 246.627 1.00 0.00 C +ATOM 41 CA PRO A 41 238.924 231.185 249.094 1.00 0.00 C +ATOM 42 CA ASP A 42 235.824 232.827 250.580 1.00 0.00 C +ATOM 43 CA ALA A 43 236.496 233.134 254.318 1.00 0.00 C +ATOM 44 CA HIS A 44 235.289 233.580 257.904 1.00 0.00 C +ATOM 45 CA ARG A 45 236.356 235.813 260.802 1.00 0.00 C +ATOM 46 CA ASN A 46 234.224 238.853 261.654 1.00 0.00 C +ATOM 47 CA PRO A 47 233.843 242.182 263.466 1.00 0.00 C +ATOM 48 CA SER A 48 232.739 243.841 266.714 1.00 0.00 C +ATOM 49 CA ARG A 49 234.001 245.732 269.771 1.00 0.00 C +ATOM 50 CA SER A 50 236.006 248.769 268.642 1.00 0.00 C +ATOM 51 CA PHE A 51 235.585 252.009 266.683 1.00 0.00 C +ATOM 52 CA GLY A 52 234.141 255.081 268.414 1.00 0.00 C +ATOM 53 CA THR A 53 234.535 258.127 266.158 1.00 0.00 C +ATOM 54 CA VAL A 54 231.402 259.374 264.384 1.00 0.00 C +ATOM 55 CA ALA A 55 231.093 259.618 260.595 1.00 0.00 C +ATOM 56 CA THR A 56 234.114 261.350 259.048 1.00 0.00 C +ATOM 57 CA GLU A 57 237.192 261.487 256.808 1.00 0.00 C +ATOM 58 CA PRO A 58 239.107 263.793 254.456 1.00 0.00 C +ATOM 59 CA LYS A 59 242.648 264.274 253.134 1.00 0.00 C +ATOM 60 CA LEU A 60 242.722 267.591 251.261 1.00 0.00 C +ATOM 61 CA PHE A 61 241.763 270.175 248.631 1.00 0.00 C +ATOM 62 CA TRP A 62 241.007 270.380 244.902 1.00 0.00 C +ATOM 63 CA GLY A 63 243.204 271.232 241.908 1.00 0.00 C +ATOM 64 CA PHE A 64 244.402 274.812 241.397 1.00 0.00 C +ATOM 65 CA ASN A 65 247.606 275.727 243.245 1.00 0.00 C +ATOM 66 CA THR A 66 249.139 277.996 245.893 1.00 0.00 C +ATOM 67 CA SER A 67 252.216 279.986 244.850 1.00 0.00 C +ATOM 68 CA ASP A 68 255.869 279.049 244.308 1.00 0.00 C +ATOM 69 CA THR A 69 257.937 281.158 246.714 1.00 0.00 C +ATOM 70 CA VAL A 70 260.946 279.948 248.713 1.00 0.00 C +ATOM 71 CA THR A 71 261.495 281.329 252.221 1.00 0.00 C +ATOM 72 CA SER A 72 262.625 284.926 251.674 1.00 0.00 C +ATOM 73 CA PRO A 73 262.158 288.656 251.050 1.00 0.00 C +ATOM 74 CA GLN A 74 264.643 291.265 249.812 1.00 0.00 C +ATOM 75 CA ARG A 75 263.968 292.875 246.425 1.00 0.00 C +ATOM 76 CA ALA A 76 260.925 295.111 246.931 1.00 0.00 C +ATOM 77 CA GLY A 77 257.827 295.503 249.115 1.00 0.00 C +ATOM 78 CA ALA A 78 256.443 294.645 252.559 1.00 0.00 C +TER 79 ALA A 78 +END diff --git a/Mammals/Q64FK3/Q64FK3.dcd b/Mammals/Q64FK3/Q64FK3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..7497b838858e810c7b071aec1867d5c0cf34fba7 --- /dev/null +++ b/Mammals/Q64FK3/Q64FK3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7dddcf3013af061f4dbae57a067d5a06b5572d3647bf60c0e8c202ca320b097a +size 11720276 diff --git a/Mammals/Q64FK3/top.pdb b/Mammals/Q64FK3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e407d146e1451168c4e184e42bee407f45535221 --- /dev/null +++ b/Mammals/Q64FK3/top.pdb @@ -0,0 +1,95 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLU A 1 318.093 261.778 272.993 1.00 0.00 C +ATOM 2 CA PRO A 2 315.363 264.192 274.105 1.00 0.00 C +ATOM 3 CA GLN A 3 313.811 264.715 277.545 1.00 0.00 C +ATOM 4 CA ILE A 4 313.205 265.839 281.135 1.00 0.00 C +ATOM 5 CA ILE A 5 314.969 267.050 284.287 1.00 0.00 C +ATOM 6 CA GLN A 6 312.590 269.043 286.498 1.00 0.00 C +ATOM 7 CA GLU A 7 308.927 268.752 285.492 1.00 0.00 C +ATOM 8 CA ARG A 8 306.599 266.273 283.773 1.00 0.00 C +ATOM 9 CA PRO A 9 304.553 266.223 280.560 1.00 0.00 C +ATOM 10 CA LEU A 10 303.753 266.178 276.835 1.00 0.00 C +ATOM 11 CA THR A 11 306.720 266.128 274.445 1.00 0.00 C +ATOM 12 CA ASN A 12 307.191 268.840 271.811 1.00 0.00 C +ATOM 13 CA LYS A 13 304.629 270.960 269.951 1.00 0.00 C +ATOM 14 CA LEU A 14 302.126 272.459 272.402 1.00 0.00 C +ATOM 15 CA LYS A 15 299.939 275.134 270.797 1.00 0.00 C +ATOM 16 CA HIS A 16 298.184 273.729 267.721 1.00 0.00 C +ATOM 17 CA LYS A 17 297.051 271.734 264.679 1.00 0.00 C +ATOM 18 CA ARG A 18 294.039 271.802 262.346 1.00 0.00 C +ATOM 19 CA ARG A 19 291.460 269.095 263.075 1.00 0.00 C +ATOM 20 CA PRO A 20 288.893 266.389 263.852 1.00 0.00 C +ATOM 21 CA THR A 21 288.350 263.965 260.963 1.00 0.00 C +ATOM 22 CA SER A 22 286.254 261.172 262.488 1.00 0.00 C +ATOM 23 CA GLY A 23 284.521 261.952 265.790 1.00 0.00 C +ATOM 24 CA LEU A 24 284.734 261.807 269.591 1.00 0.00 C +ATOM 25 CA HIS A 25 282.232 260.043 271.859 1.00 0.00 C +ATOM 26 CA PRO A 26 278.699 259.224 273.027 1.00 0.00 C +ATOM 27 CA GLU A 27 276.091 261.255 271.132 1.00 0.00 C +ATOM 28 CA ASP A 28 274.364 264.118 269.304 1.00 0.00 C +ATOM 29 CA PHE A 29 271.796 262.692 266.878 1.00 0.00 C +ATOM 30 CA ILE A 30 270.334 262.015 263.425 1.00 0.00 C +ATOM 31 CA LYS A 31 268.206 264.784 261.902 1.00 0.00 C +ATOM 32 CA LYS A 32 264.848 264.933 260.108 1.00 0.00 C +ATOM 33 CA ALA A 33 264.230 262.302 257.423 1.00 0.00 C +ATOM 34 CA ASP A 34 264.258 258.568 258.179 1.00 0.00 C +ATOM 35 CA LEU A 35 263.617 257.977 261.888 1.00 0.00 C +ATOM 36 CA ALA A 36 260.590 256.351 263.533 1.00 0.00 C +ATOM 37 CA VAL A 37 260.523 252.713 262.401 1.00 0.00 C +ATOM 38 CA GLN A 38 260.332 248.927 262.020 1.00 0.00 C +ATOM 39 CA LYS A 39 260.046 245.802 259.860 1.00 0.00 C +ATOM 40 CA THR A 40 262.674 243.115 259.237 1.00 0.00 C +ATOM 41 CA PRO A 41 261.708 241.466 255.941 1.00 0.00 C +ATOM 42 CA GLU A 42 262.200 243.329 252.654 1.00 0.00 C +ATOM 43 CA MET A 43 262.920 240.772 249.923 1.00 0.00 C +ATOM 44 CA ILE A 44 265.154 241.225 246.870 1.00 0.00 C +ATOM 45 CA ASN A 45 265.608 241.528 243.099 1.00 0.00 C +ATOM 46 CA GLN A 46 263.037 241.725 240.295 1.00 0.00 C +ATOM 47 CA GLY A 47 262.670 241.460 236.512 1.00 0.00 C +ATOM 48 CA THR A 48 260.577 244.403 235.296 1.00 0.00 C +ATOM 49 CA ASN A 49 258.204 245.734 237.964 1.00 0.00 C +ATOM 50 CA GLN A 50 257.352 247.449 241.257 1.00 0.00 C +ATOM 51 CA THR A 51 254.830 246.068 243.756 1.00 0.00 C +ATOM 52 CA GLU A 52 251.485 245.608 245.520 1.00 0.00 C +ATOM 53 CA GLN A 53 247.855 245.823 246.660 1.00 0.00 C +ATOM 54 CA ASN A 54 245.685 243.576 244.479 1.00 0.00 C +ATOM 55 CA GLY A 55 242.952 245.453 242.602 1.00 0.00 C +ATOM 56 CA GLN A 56 240.560 246.729 239.925 1.00 0.00 C +ATOM 57 CA VAL A 57 240.147 246.522 236.143 1.00 0.00 C +ATOM 58 CA MET A 58 239.237 243.409 234.144 1.00 0.00 C +ATOM 59 CA ASN A 59 235.726 242.170 233.335 1.00 0.00 C +ATOM 60 CA ILE A 60 232.371 243.896 232.804 1.00 0.00 C +ATOM 61 CA THR A 61 228.752 242.739 233.088 1.00 0.00 C +ATOM 62 CA ASN A 62 225.795 245.010 233.872 1.00 0.00 C +ATOM 63 CA SER A 63 222.964 243.804 236.119 1.00 0.00 C +ATOM 64 CA GLY A 64 221.162 245.944 238.705 1.00 0.00 C +ATOM 65 CA HIS A 65 217.426 245.339 238.264 1.00 0.00 C +ATOM 66 CA GLU A 66 215.292 245.523 235.114 1.00 0.00 C +ATOM 67 CA ASN A 67 212.197 244.428 233.180 1.00 0.00 C +ATOM 68 CA LYS A 68 209.483 243.933 230.552 1.00 0.00 C +ATOM 69 CA THR A 69 209.651 240.319 229.357 1.00 0.00 C +ATOM 70 CA LYS A 70 209.212 237.014 231.201 1.00 0.00 C +ATOM 71 CA GLY A 71 209.435 234.138 233.690 1.00 0.00 C +ATOM 72 CA ASP A 72 208.524 230.546 234.575 1.00 0.00 C +ATOM 73 CA SER A 73 206.026 227.774 233.805 1.00 0.00 C +ATOM 74 CA ILE A 74 203.345 225.165 233.080 1.00 0.00 C +ATOM 75 CA GLN A 75 199.981 226.950 232.984 1.00 0.00 C +ATOM 76 CA ASN A 76 196.312 227.472 233.869 1.00 0.00 C +ATOM 77 CA GLU A 77 192.619 226.541 233.980 1.00 0.00 C +ATOM 78 CA LYS A 78 189.319 226.252 232.099 1.00 0.00 C +ATOM 79 CA ASN A 79 185.646 227.258 232.224 1.00 0.00 C +ATOM 80 CA PRO A 80 182.682 226.576 229.929 1.00 0.00 C +ATOM 81 CA ASN A 81 183.867 227.518 226.433 1.00 0.00 C +ATOM 82 CA PRO A 82 185.096 229.237 223.263 1.00 0.00 C +ATOM 83 CA ILE A 83 183.668 230.363 219.915 1.00 0.00 C +ATOM 84 CA GLU A 84 183.225 234.107 219.362 1.00 0.00 C +ATOM 85 CA SER A 85 184.037 237.796 219.860 1.00 0.00 C +ATOM 86 CA LEU A 86 184.973 241.478 220.144 1.00 0.00 C +ATOM 87 CA GLU A 87 183.990 244.025 222.801 1.00 0.00 C +ATOM 88 CA LYS A 88 183.754 244.742 226.536 1.00 0.00 C +ATOM 89 CA GLU A 89 183.451 242.338 229.476 1.00 0.00 C +ATOM 90 CA SER A 90 183.738 244.574 232.548 1.00 0.00 C +ATOM 91 CA ALA A 91 185.302 242.721 235.487 1.00 0.00 C +TER 92 ALA A 91 +END diff --git a/Mammals/Q64LJ0/Q64LJ0.dcd b/Mammals/Q64LJ0/Q64LJ0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..fd16c855477720f4811aaa1cd9653d2424c3bca1 --- /dev/null +++ b/Mammals/Q64LJ0/Q64LJ0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0a0aaad42ef6b412f7f9bd48ce2ad1ee568d67996ee1ddb802b1a621419c9559 +size 9680276 diff --git a/Mammals/Q64LJ0/top.pdb b/Mammals/Q64LJ0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e50de68901e8a84ef16e7505b51009d0d7ce4f2b --- /dev/null +++ b/Mammals/Q64LJ0/top.pdb @@ -0,0 +1,78 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ARG A 1 227.087 249.215 272.533 1.00 0.00 C +ATOM 2 CA ARG A 2 227.136 245.560 273.609 1.00 0.00 C +ATOM 3 CA GLN A 3 224.440 242.884 273.319 1.00 0.00 C +ATOM 4 CA LEU A 4 221.195 244.517 272.168 1.00 0.00 C +ATOM 5 CA PRO A 5 217.577 245.427 272.940 1.00 0.00 C +ATOM 6 CA GLN A 6 216.411 247.738 270.145 1.00 0.00 C +ATOM 7 CA THR A 7 215.135 249.959 267.324 1.00 0.00 C +ATOM 8 CA PRO A 8 216.068 253.565 268.124 1.00 0.00 C +ATOM 9 CA SER A 9 216.261 255.205 271.558 1.00 0.00 C +ATOM 10 CA THR A 10 216.238 252.973 274.645 1.00 0.00 C +ATOM 11 CA PRO A 11 218.966 253.664 277.214 1.00 0.00 C +ATOM 12 CA ARG A 12 222.679 254.356 276.715 1.00 0.00 C +ATOM 13 CA PRO A 13 225.815 256.349 277.557 1.00 0.00 C +ATOM 14 CA HIS A 14 228.266 257.723 280.131 1.00 0.00 C +ATOM 15 CA VAL A 15 232.044 257.640 280.614 1.00 0.00 C +ATOM 16 CA SER A 16 234.063 254.782 282.119 1.00 0.00 C +ATOM 17 CA TYR A 17 236.322 251.818 281.326 1.00 0.00 C +ATOM 18 CA SER A 18 238.816 249.221 280.080 1.00 0.00 C +ATOM 19 CA PRO A 19 240.303 246.587 277.763 1.00 0.00 C +ATOM 20 CA VAL A 20 243.512 247.091 275.771 1.00 0.00 C +ATOM 21 CA ILE A 21 245.854 247.227 272.769 1.00 0.00 C +ATOM 22 CA ARG A 22 248.279 249.864 271.473 1.00 0.00 C +ATOM 23 CA LYS A 23 250.201 252.643 269.712 1.00 0.00 C +ATOM 24 CA ALA A 24 253.509 253.426 267.991 1.00 0.00 C +ATOM 25 CA GLY A 25 253.091 256.320 265.549 1.00 0.00 C +ATOM 26 CA GLY A 26 251.895 259.913 265.966 1.00 0.00 C +ATOM 27 CA SER A 27 249.255 262.602 265.402 1.00 0.00 C +ATOM 28 CA GLY A 28 246.115 263.060 267.510 1.00 0.00 C +ATOM 29 CA PRO A 29 242.907 261.147 268.265 1.00 0.00 C +ATOM 30 CA PRO A 30 241.073 260.559 264.978 1.00 0.00 C +ATOM 31 CA GLN A 31 238.736 258.023 263.357 1.00 0.00 C +ATOM 32 CA GLN A 32 237.040 256.680 260.221 1.00 0.00 C +ATOM 33 CA GLN A 33 235.780 254.378 257.459 1.00 0.00 C +ATOM 34 CA GLN A 34 237.578 251.726 255.396 1.00 0.00 C +ATOM 35 CA GLN A 35 240.685 249.880 254.192 1.00 0.00 C +ATOM 36 CA GLN A 36 241.679 248.665 250.720 1.00 0.00 C +ATOM 37 CA GLN A 37 244.752 246.453 251.138 1.00 0.00 C +ATOM 38 CA GLN A 38 247.888 247.564 252.995 1.00 0.00 C +ATOM 39 CA GLN A 39 249.678 250.266 254.997 1.00 0.00 C +ATOM 40 CA GLN A 40 253.159 251.302 253.846 1.00 0.00 C +ATOM 41 CA GLN A 41 255.371 251.801 250.784 1.00 0.00 C +ATOM 42 CA GLN A 42 257.302 253.494 247.970 1.00 0.00 C +ATOM 43 CA ALA A 43 260.577 255.179 248.947 1.00 0.00 C +ATOM 44 CA VAL A 44 262.794 253.678 251.658 1.00 0.00 C +ATOM 45 CA ALA A 45 265.738 251.326 251.094 1.00 0.00 C +ATOM 46 CA ARG A 46 269.150 251.213 249.403 1.00 0.00 C +ATOM 47 CA PRO A 47 269.006 250.938 245.605 1.00 0.00 C +ATOM 48 CA GLY A 48 266.354 253.082 243.907 1.00 0.00 C +ATOM 49 CA ARG A 49 265.946 253.010 240.119 1.00 0.00 C +ATOM 50 CA ALA A 50 267.728 254.306 237.011 1.00 0.00 C +ATOM 51 CA ALA A 51 268.279 252.607 233.646 1.00 0.00 C +ATOM 52 CA THR A 52 268.183 248.802 233.803 1.00 0.00 C +ATOM 53 CA SER A 53 267.004 247.710 237.257 1.00 0.00 C +ATOM 54 CA GLY A 54 265.537 244.288 238.066 1.00 0.00 C +ATOM 55 CA PRO A 55 264.276 241.071 236.460 1.00 0.00 C +ATOM 56 CA ARG A 56 266.444 239.688 233.649 1.00 0.00 C +ATOM 57 CA ARG A 57 268.531 239.363 230.478 1.00 0.00 C +ATOM 58 CA TYR A 58 268.220 241.573 227.390 1.00 0.00 C +ATOM 59 CA PRO A 59 268.549 245.259 226.484 1.00 0.00 C +ATOM 60 CA GLY A 60 271.983 246.907 226.563 1.00 0.00 C +ATOM 61 CA PRO A 61 275.639 247.264 225.552 1.00 0.00 C +ATOM 62 CA THR A 62 276.290 246.701 221.841 1.00 0.00 C +ATOM 63 CA ALA A 63 276.875 249.008 218.866 1.00 0.00 C +ATOM 64 CA GLU A 64 275.624 252.403 217.673 1.00 0.00 C +ATOM 65 CA PRO A 65 274.887 251.913 213.967 1.00 0.00 C +ATOM 66 CA LEU A 66 271.976 249.566 213.233 1.00 0.00 C +ATOM 67 CA ALA A 67 268.365 249.604 212.019 1.00 0.00 C +ATOM 68 CA GLY A 68 265.617 247.931 209.979 1.00 0.00 C +ATOM 69 CA ASP A 69 265.039 245.674 206.964 1.00 0.00 C +ATOM 70 CA ARG A 70 264.026 242.308 205.493 1.00 0.00 C +ATOM 71 CA PRO A 71 262.281 239.581 203.486 1.00 0.00 C +ATOM 72 CA PRO A 72 262.302 236.454 205.663 1.00 0.00 C +ATOM 73 CA THR A 73 260.166 234.396 208.055 1.00 0.00 C +ATOM 74 CA GLY A 74 256.455 233.932 207.324 1.00 0.00 C +TER 75 GLY A 74 +END diff --git a/Mammals/Q64LJ3/Q64LJ3.dcd b/Mammals/Q64LJ3/Q64LJ3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..adee48450168b84053ed7c164c7f624611b48913 --- /dev/null +++ b/Mammals/Q64LJ3/Q64LJ3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:96eedd11d753fd7f4c267264f37c9a2e16b2d528de053463fbaf99034a79dc8a +size 4520276 diff --git a/Mammals/Q64LJ3/top.pdb b/Mammals/Q64LJ3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c89c17fc0099a065b990a27e39cad70c76a42104 --- /dev/null +++ b/Mammals/Q64LJ3/top.pdb @@ -0,0 +1,35 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA GLN A 1 265.887 262.582 253.650 1.00 0.00 C +ATOM 2 CA GLN A 2 262.497 264.212 254.262 1.00 0.00 C +ATOM 3 CA GLN A 3 260.944 263.876 257.724 1.00 0.00 C +ATOM 4 CA LYS A 4 259.369 261.210 259.945 1.00 0.00 C +ATOM 5 CA GLN A 5 256.436 259.056 258.816 1.00 0.00 C +ATOM 6 CA GLN A 6 252.801 257.932 259.013 1.00 0.00 C +ATOM 7 CA GLN A 7 250.011 257.497 256.455 1.00 0.00 C +ATOM 8 CA GLN A 8 250.331 260.006 253.606 1.00 0.00 C +ATOM 9 CA PRO A 9 246.796 260.823 252.444 1.00 0.00 C +ATOM 10 CA GLN A 10 245.611 261.894 248.985 1.00 0.00 C +ATOM 11 CA GLN A 11 242.426 263.984 248.912 1.00 0.00 C +ATOM 12 CA GLN A 12 239.010 262.655 249.951 1.00 0.00 C +ATOM 13 CA GLN A 13 238.884 258.847 249.982 1.00 0.00 C +ATOM 14 CA GLN A 14 241.139 255.837 249.373 1.00 0.00 C +ATOM 15 CA GLN A 15 242.658 253.644 246.653 1.00 0.00 C +ATOM 16 CA PRO A 16 245.552 251.221 246.131 1.00 0.00 C +ATOM 17 CA GLN A 17 247.999 248.306 246.290 1.00 0.00 C +ATOM 18 CA GLN A 18 251.698 249.024 245.723 1.00 0.00 C +ATOM 19 CA GLN A 19 255.185 250.012 244.549 1.00 0.00 C +ATOM 20 CA GLN A 20 257.628 249.528 247.433 1.00 0.00 C +ATOM 21 CA GLN A 21 258.524 246.104 248.843 1.00 0.00 C +ATOM 22 CA GLN A 22 257.522 242.543 249.752 1.00 0.00 C +ATOM 23 CA GLN A 23 258.834 239.016 249.151 1.00 0.00 C +ATOM 24 CA GLN A 24 256.903 237.060 246.513 1.00 0.00 C +ATOM 25 CA GLY A 25 253.341 236.165 245.498 1.00 0.00 C +ATOM 26 CA ASP A 26 249.702 236.117 246.626 1.00 0.00 C +ATOM 27 CA LEU A 27 246.030 236.637 245.756 1.00 0.00 C +ATOM 28 CA SER A 28 243.544 233.750 245.716 1.00 0.00 C +ATOM 29 CA GLY A 29 240.227 231.888 245.510 1.00 0.00 C +ATOM 30 CA GLN A 30 237.083 230.496 247.152 1.00 0.00 C +ATOM 31 CA SER A 31 235.429 228.074 249.584 1.00 0.00 C +TER 32 SER A 31 +END diff --git a/Mammals/Q64LK3/Q64LK3.dcd b/Mammals/Q64LK3/Q64LK3.dcd new file mode 100644 index 0000000000000000000000000000000000000000..c5c788c00b4a0c1ca3e2256ebe5bce88038856e4 --- /dev/null +++ b/Mammals/Q64LK3/Q64LK3.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2a052bfd536cd97529ff0d163641566dc96c788e3d5ad5290b02c14bd93d79c7 +size 6200276 diff --git a/Mammals/Q64LK3/top.pdb b/Mammals/Q64LK3/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..bdf6f4131fd0aa358e4f09c1c631108190adf2f3 --- /dev/null +++ b/Mammals/Q64LK3/top.pdb @@ -0,0 +1,49 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA PRO A 1 246.056 237.768 271.641 1.00 0.00 C +ATOM 2 CA PRO A 2 247.700 235.762 268.850 1.00 0.00 C +ATOM 3 CA GLN A 3 247.737 236.533 265.119 1.00 0.00 C +ATOM 4 CA LEU A 4 247.761 239.687 262.982 1.00 0.00 C +ATOM 5 CA GLN A 5 250.846 241.922 262.904 1.00 0.00 C +ATOM 6 CA GLN A 6 251.313 245.699 263.084 1.00 0.00 C +ATOM 7 CA GLN A 7 248.983 248.674 262.598 1.00 0.00 C +ATOM 8 CA GLN A 8 247.432 251.972 263.708 1.00 0.00 C +ATOM 9 CA GLN A 9 244.999 254.187 261.787 1.00 0.00 C +ATOM 10 CA GLN A 10 243.674 251.917 259.028 1.00 0.00 C +ATOM 11 CA GLN A 11 242.858 248.412 260.279 1.00 0.00 C +ATOM 12 CA GLN A 12 240.362 246.726 257.946 1.00 0.00 C +ATOM 13 CA GLN A 13 241.394 247.191 254.308 1.00 0.00 C +ATOM 14 CA GLN A 14 239.231 245.263 251.834 1.00 0.00 C +ATOM 15 CA GLN A 15 240.344 246.273 248.333 1.00 0.00 C +ATOM 16 CA GLN A 16 240.177 246.071 244.532 1.00 0.00 C +ATOM 17 CA GLN A 17 241.443 243.574 241.948 1.00 0.00 C +ATOM 18 CA GLN A 18 244.127 242.984 239.309 1.00 0.00 C +ATOM 19 CA GLN A 19 246.819 244.710 237.237 1.00 0.00 C +ATOM 20 CA GLN A 20 250.161 245.000 239.042 1.00 0.00 C +ATOM 21 CA PRO A 21 252.728 247.473 237.695 1.00 0.00 C +ATOM 22 CA PRO A 22 255.076 250.450 238.072 1.00 0.00 C +ATOM 23 CA HIS A 23 258.129 251.732 239.956 1.00 0.00 C +ATOM 24 CA PRO A 24 257.895 255.482 240.589 1.00 0.00 C +ATOM 25 CA LEU A 25 259.187 259.059 240.366 1.00 0.00 C +ATOM 26 CA SER A 26 260.241 262.362 238.787 1.00 0.00 C +ATOM 27 CA GLN A 27 259.462 264.975 241.448 1.00 0.00 C +ATOM 28 CA LEU A 28 258.569 268.019 243.558 1.00 0.00 C +ATOM 29 CA ALA A 29 255.694 270.471 244.048 1.00 0.00 C +ATOM 30 CA GLN A 30 252.351 269.059 242.888 1.00 0.00 C +ATOM 31 CA LEU A 31 250.776 265.786 244.037 1.00 0.00 C +ATOM 32 CA GLN A 32 250.657 264.229 247.512 1.00 0.00 C +ATOM 33 CA SER A 33 251.859 260.729 248.416 1.00 0.00 C +ATOM 34 CA GLN A 34 251.414 257.490 250.373 1.00 0.00 C +ATOM 35 CA PRO A 35 253.678 254.727 251.698 1.00 0.00 C +ATOM 36 CA VAL A 36 254.483 251.011 251.451 1.00 0.00 C +ATOM 37 CA HIS A 37 256.702 247.978 250.826 1.00 0.00 C +ATOM 38 CA PRO A 38 256.920 244.177 250.967 1.00 0.00 C +ATOM 39 CA GLY A 39 255.977 242.539 247.659 1.00 0.00 C +ATOM 40 CA LEU A 40 253.096 240.113 248.235 1.00 0.00 C +ATOM 41 CA LEU A 41 249.348 239.504 248.541 1.00 0.00 C +ATOM 42 CA HIS A 42 246.107 241.504 248.426 1.00 0.00 C +ATOM 43 CA SER A 43 246.074 245.006 246.925 1.00 0.00 C +ATOM 44 CA SER A 44 249.609 246.133 246.059 1.00 0.00 C +ATOM 45 CA PRO A 45 250.551 249.670 245.000 1.00 0.00 C +TER 46 PRO A 45 +END diff --git a/Mammals/Q65YY9/Q65YY9.dcd b/Mammals/Q65YY9/Q65YY9.dcd new file mode 100644 index 0000000000000000000000000000000000000000..7747ab75b98257419e0821d37a04ccb94918c360 --- /dev/null +++ b/Mammals/Q65YY9/Q65YY9.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:744a828b4b34762f5e41f60d8981e5c982e5104e04c86420d9afeb1c023f3bb0 +size 5840276 diff --git a/Mammals/Q65YY9/top.pdb b/Mammals/Q65YY9/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1524a8e2d4dfce5afc3a2fd33d8b460949763e0a --- /dev/null +++ b/Mammals/Q65YY9/top.pdb @@ -0,0 +1,46 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA ALA A 1 218.554 269.234 278.223 1.00 0.00 C +ATOM 2 CA ASP A 2 222.258 269.212 277.334 1.00 0.00 C +ATOM 3 CA SER A 3 224.220 266.446 275.598 1.00 0.00 C +ATOM 4 CA ASP A 4 221.745 263.847 274.318 1.00 0.00 C +ATOM 5 CA ALA A 5 220.106 262.839 271.029 1.00 0.00 C +ATOM 6 CA ARG A 6 220.585 261.883 267.373 1.00 0.00 C +ATOM 7 CA LEU A 7 220.203 262.629 263.656 1.00 0.00 C +ATOM 8 CA PHE A 8 223.275 262.757 261.406 1.00 0.00 C +ATOM 9 CA GLN A 9 226.914 262.805 262.531 1.00 0.00 C +ATOM 10 CA ASP A 10 230.612 263.370 263.254 1.00 0.00 C +ATOM 11 CA SER A 11 233.536 261.027 263.944 1.00 0.00 C +ATOM 12 CA THR A 12 236.498 263.234 264.876 1.00 0.00 C +ATOM 13 CA GLU A 13 240.280 262.780 264.939 1.00 0.00 C +ATOM 14 CA PRO A 14 242.439 259.949 263.583 1.00 0.00 C +ATOM 15 CA ARG A 15 243.317 259.448 259.910 1.00 0.00 C +ATOM 16 CA THR A 16 243.578 256.617 257.373 1.00 0.00 C +ATOM 17 CA SER A 17 244.062 252.844 257.162 1.00 0.00 C +ATOM 18 CA ARG A 18 244.659 252.054 253.483 1.00 0.00 C +ATOM 19 CA VAL A 19 247.375 253.890 251.542 1.00 0.00 C +ATOM 20 CA PRO A 20 249.101 257.269 251.191 1.00 0.00 C +ATOM 21 CA SER A 21 247.862 259.907 248.737 1.00 0.00 C +ATOM 22 CA SER A 22 250.388 261.060 246.128 1.00 0.00 C +ATOM 23 CA ASP A 23 252.400 258.893 243.726 1.00 0.00 C +ATOM 24 CA GLU A 24 251.803 255.527 242.043 1.00 0.00 C +ATOM 25 CA GLU A 25 255.254 254.155 241.194 1.00 0.00 C +ATOM 26 CA VAL A 26 258.628 254.282 239.429 1.00 0.00 C +ATOM 27 CA VAL A 27 260.773 251.325 240.510 1.00 0.00 C +ATOM 28 CA GLU A 28 260.008 248.558 238.005 1.00 0.00 C +ATOM 29 CA GLU A 29 261.844 245.311 238.782 1.00 0.00 C +ATOM 30 CA PRO A 30 264.678 243.087 240.021 1.00 0.00 C +ATOM 31 CA GLN A 31 265.652 239.799 238.360 1.00 0.00 C +ATOM 32 CA ASN A 32 264.420 238.637 234.947 1.00 0.00 C +ATOM 33 CA ARG A 33 265.491 235.485 233.095 1.00 0.00 C +ATOM 34 CA ARG A 34 267.749 232.416 233.026 1.00 0.00 C +ATOM 35 CA THR A 35 271.004 230.548 233.682 1.00 0.00 C +ATOM 36 CA ARG A 36 272.745 227.433 232.349 1.00 0.00 C +ATOM 37 CA MET A 37 273.031 223.793 233.437 1.00 0.00 C +ATOM 38 CA SER A 38 275.627 222.417 235.863 1.00 0.00 C +ATOM 39 CA LEU A 39 279.032 221.866 234.245 1.00 0.00 C +ATOM 40 CA GLY A 40 280.525 224.915 232.516 1.00 0.00 C +ATOM 41 CA THR A 41 282.244 223.913 229.267 1.00 0.00 C +ATOM 42 CA LYS A 42 285.529 222.539 227.911 1.00 0.00 C +TER 43 LYS A 42 +END diff --git a/Mammals/Q66H40/Q66H40.dcd b/Mammals/Q66H40/Q66H40.dcd new file mode 100644 index 0000000000000000000000000000000000000000..97aa5bbee98c776cbd32b4c6bdb9ce0d240273dc --- /dev/null +++ b/Mammals/Q66H40/Q66H40.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c6bd8c81489793454a4d7c4eb0b0d4b0ac900b94d0fbf8529588d3af6704cb33 +size 12200276 diff --git a/Mammals/Q66H40/top.pdb b/Mammals/Q66H40/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..696cb3d39505312b21ffec92f7bcb71ca4250e7b --- /dev/null +++ b/Mammals/Q66H40/top.pdb @@ -0,0 +1,99 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA MET A 1 249.127 273.741 246.161 1.00 0.00 C +ATOM 2 CA PRO A 2 252.880 273.719 246.817 1.00 0.00 C +ATOM 3 CA LYS A 3 254.452 277.081 247.680 1.00 0.00 C +ATOM 4 CA ARG A 4 257.528 279.172 246.856 1.00 0.00 C +ATOM 5 CA LYS A 5 260.701 277.350 247.921 1.00 0.00 C +ATOM 6 CA SER A 6 262.592 274.633 246.035 1.00 0.00 C +ATOM 7 CA PRO A 7 263.928 271.583 244.184 1.00 0.00 C +ATOM 8 CA GLU A 8 263.323 267.853 243.701 1.00 0.00 C +ATOM 9 CA ASN A 9 262.169 264.941 245.870 1.00 0.00 C +ATOM 10 CA ALA A 10 264.687 262.647 247.575 1.00 0.00 C +ATOM 11 CA GLU A 11 266.695 260.742 250.194 1.00 0.00 C +ATOM 12 CA GLY A 12 268.778 257.831 248.890 1.00 0.00 C +ATOM 13 CA LYS A 13 269.788 254.448 250.323 1.00 0.00 C +ATOM 14 CA ASP A 14 272.788 252.424 249.131 1.00 0.00 C +ATOM 15 CA GLY A 15 271.815 249.415 247.007 1.00 0.00 C +ATOM 16 CA ALA A 16 268.123 248.623 247.519 1.00 0.00 C +ATOM 17 CA LYS A 17 266.941 248.806 251.137 1.00 0.00 C +ATOM 18 CA LEU A 18 263.204 248.650 251.862 1.00 0.00 C +ATOM 19 CA THR A 19 260.735 250.361 254.206 1.00 0.00 C +ATOM 20 CA LYS A 20 257.924 250.450 256.776 1.00 0.00 C +ATOM 21 CA GLN A 21 254.603 251.205 258.483 1.00 0.00 C +ATOM 22 CA GLU A 22 252.760 254.143 260.061 1.00 0.00 C +ATOM 23 CA PRO A 23 249.895 256.574 259.431 1.00 0.00 C +ATOM 24 CA THR A 24 247.047 255.886 256.995 1.00 0.00 C +ATOM 25 CA ARG A 25 246.714 259.132 255.028 1.00 0.00 C +ATOM 26 CA ARG A 26 248.756 258.532 251.868 1.00 0.00 C +ATOM 27 CA SER A 27 248.426 255.321 249.843 1.00 0.00 C +ATOM 28 CA ALA A 28 246.103 254.909 246.851 1.00 0.00 C +ATOM 29 CA ARG A 29 242.857 256.729 247.666 1.00 0.00 C +ATOM 30 CA LEU A 30 239.805 254.704 248.718 1.00 0.00 C +ATOM 31 CA SER A 31 236.117 254.087 249.448 1.00 0.00 C +ATOM 32 CA ALA A 32 233.150 252.883 251.513 1.00 0.00 C +ATOM 33 CA LYS A 33 230.291 252.737 254.027 1.00 0.00 C +ATOM 34 CA PRO A 34 227.155 251.519 255.815 1.00 0.00 C +ATOM 35 CA VAL A 35 225.992 248.008 254.901 1.00 0.00 C +ATOM 36 CA PRO A 36 222.818 246.337 256.185 1.00 0.00 C +ATOM 37 CA PRO A 37 220.871 243.777 254.141 1.00 0.00 C +ATOM 38 CA LYS A 38 221.874 240.137 253.631 1.00 0.00 C +ATOM 39 CA PRO A 39 220.746 237.209 251.469 1.00 0.00 C +ATOM 40 CA GLU A 40 220.197 233.947 253.359 1.00 0.00 C +ATOM 41 CA PRO A 41 218.322 234.831 256.556 1.00 0.00 C +ATOM 42 CA LYS A 42 220.671 235.149 259.538 1.00 0.00 C +ATOM 43 CA PRO A 43 223.360 235.195 262.237 1.00 0.00 C +ATOM 44 CA ARG A 44 222.725 232.918 265.225 1.00 0.00 C +ATOM 45 CA LYS A 45 222.797 231.944 268.908 1.00 0.00 C +ATOM 46 CA THR A 46 223.601 228.583 270.510 1.00 0.00 C +ATOM 47 CA SER A 47 225.838 225.498 270.495 1.00 0.00 C +ATOM 48 CA ALA A 48 226.379 222.558 268.133 1.00 0.00 C +ATOM 49 CA LYS A 49 229.603 222.083 266.159 1.00 0.00 C +ATOM 50 CA LYS A 50 231.075 220.328 263.114 1.00 0.00 C +ATOM 51 CA GLU A 51 234.766 221.271 263.054 1.00 0.00 C +ATOM 52 CA PRO A 52 237.011 222.688 260.321 1.00 0.00 C +ATOM 53 CA GLY A 53 237.698 223.932 256.786 1.00 0.00 C +ATOM 54 CA THR A 54 238.151 225.939 253.579 1.00 0.00 C +ATOM 55 CA LYS A 55 239.021 229.051 251.560 1.00 0.00 C +ATOM 56 CA ILE A 56 238.866 231.132 248.373 1.00 0.00 C +ATOM 57 CA ASN A 57 240.387 234.622 248.225 1.00 0.00 C +ATOM 58 CA ARG A 58 239.535 237.482 250.593 1.00 0.00 C +ATOM 59 CA ALA A 59 239.817 240.921 252.208 1.00 0.00 C +ATOM 60 CA ALA A 60 242.079 243.162 254.301 1.00 0.00 C +ATOM 61 CA LYS A 61 243.196 245.975 256.615 1.00 0.00 C +ATOM 62 CA GLY A 62 245.701 248.738 257.394 1.00 0.00 C +ATOM 63 CA LYS A 63 248.908 249.288 255.413 1.00 0.00 C +ATOM 64 CA LYS A 64 248.446 247.286 252.205 1.00 0.00 C +ATOM 65 CA GLU A 65 245.893 248.739 249.779 1.00 0.00 C +ATOM 66 CA GLU A 66 243.078 246.643 248.295 1.00 0.00 C +ATOM 67 CA LYS A 67 239.924 247.394 246.293 1.00 0.00 C +ATOM 68 CA GLN A 68 238.963 244.534 243.968 1.00 0.00 C +ATOM 69 CA GLU A 69 240.546 241.855 241.770 1.00 0.00 C +ATOM 70 CA ALA A 70 242.263 240.507 238.647 1.00 0.00 C +ATOM 71 CA GLY A 71 245.821 240.772 237.310 1.00 0.00 C +ATOM 72 CA LYS A 72 249.479 240.220 236.401 1.00 0.00 C +ATOM 73 CA GLU A 73 253.188 240.990 236.812 1.00 0.00 C +ATOM 74 CA GLY A 74 253.964 243.911 239.131 1.00 0.00 C +ATOM 75 CA THR A 75 255.606 247.182 240.189 1.00 0.00 C +ATOM 76 CA ALA A 76 257.818 248.712 237.490 1.00 0.00 C +ATOM 77 CA PRO A 77 258.414 248.057 233.784 1.00 0.00 C +ATOM 78 CA SER A 78 261.561 247.636 231.678 1.00 0.00 C +ATOM 79 CA ALA A 79 264.485 249.780 232.848 1.00 0.00 C +ATOM 80 CA ASN A 80 263.733 250.633 236.484 1.00 0.00 C +ATOM 81 CA GLY A 81 266.661 249.943 238.821 1.00 0.00 C +ATOM 82 CA ASP A 82 268.433 253.110 239.984 1.00 0.00 C +ATOM 83 CA THR A 83 268.651 256.824 240.806 1.00 0.00 C +ATOM 84 CA LYS A 84 271.666 258.953 241.749 1.00 0.00 C +ATOM 85 CA ALA A 85 275.081 259.944 243.119 1.00 0.00 C +ATOM 86 CA GLU A 86 275.961 263.548 243.986 1.00 0.00 C +ATOM 87 CA GLU A 87 273.862 266.583 244.933 1.00 0.00 C +ATOM 88 CA VAL A 88 272.590 266.976 248.503 1.00 0.00 C +ATOM 89 CA LEU A 89 272.891 269.822 251.017 1.00 0.00 C +ATOM 90 CA SER A 90 276.355 271.317 251.547 1.00 0.00 C +ATOM 91 CA THR A 91 279.875 269.883 251.282 1.00 0.00 C +ATOM 92 CA ASN A 92 280.901 269.064 247.705 1.00 0.00 C +ATOM 93 CA ALA A 93 279.556 269.074 244.141 1.00 0.00 C +ATOM 94 CA SER A 94 278.895 271.067 240.961 1.00 0.00 C +ATOM 95 CA HIS A 95 281.574 273.507 239.785 1.00 0.00 C +TER 96 HIS A 95 +END diff --git a/Mammals/Q66LL6/Q66LL6.dcd b/Mammals/Q66LL6/Q66LL6.dcd new file mode 100644 index 0000000000000000000000000000000000000000..768695c5d9c9e6d890499826d5a601351f757d48 --- /dev/null +++ b/Mammals/Q66LL6/Q66LL6.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ce678759af195434fa7f7baf0eb8038625380fe29b7942289cdd35c8609b3a0c +size 4400276 diff --git a/Mammals/Q66LL6/top.pdb b/Mammals/Q66LL6/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..60f69634193bfa89e04318fa9aac68f45ec97774 --- /dev/null +++ b/Mammals/Q66LL6/top.pdb @@ -0,0 +1,34 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA SER A 1 221.140 245.821 239.943 1.00 0.00 C +ATOM 2 CA PRO A 2 219.245 244.319 242.888 1.00 0.00 C +ATOM 3 CA SER A 3 217.711 242.810 246.032 1.00 0.00 C +ATOM 4 CA MET A 4 219.883 239.870 247.108 1.00 0.00 C +ATOM 5 CA GLU A 5 221.468 238.379 250.235 1.00 0.00 C +ATOM 6 CA ALA A 6 225.272 238.325 250.025 1.00 0.00 C +ATOM 7 CA LEU A 7 226.980 241.205 248.208 1.00 0.00 C +ATOM 8 CA THR A 8 229.893 242.778 250.096 1.00 0.00 C +ATOM 9 CA LEU A 9 233.591 243.603 250.488 1.00 0.00 C +ATOM 10 CA HIS A 10 237.199 244.803 250.248 1.00 0.00 C +ATOM 11 CA SER A 11 239.459 245.579 253.217 1.00 0.00 C +ATOM 12 CA PRO A 12 242.707 243.724 252.493 1.00 0.00 C +ATOM 13 CA THR A 13 246.069 243.696 250.699 1.00 0.00 C +ATOM 14 CA GLN A 14 249.491 242.504 251.873 1.00 0.00 C +ATOM 15 CA TYR A 15 252.985 244.017 252.008 1.00 0.00 C +ATOM 16 CA GLN A 16 255.742 242.647 249.763 1.00 0.00 C +ATOM 17 CA PRO A 17 259.026 243.658 248.116 1.00 0.00 C +ATOM 18 CA ASP A 18 260.349 246.477 245.920 1.00 0.00 C +ATOM 19 CA VAL A 19 262.098 249.857 246.097 1.00 0.00 C +ATOM 20 CA LEU A 20 264.498 250.740 248.921 1.00 0.00 C +ATOM 21 CA PRO A 21 267.982 252.244 249.261 1.00 0.00 C +ATOM 22 CA SER A 22 268.689 254.389 252.329 1.00 0.00 C +ATOM 23 CA THR A 23 267.480 257.929 251.611 1.00 0.00 C +ATOM 24 CA LEU A 24 268.836 259.091 248.246 1.00 0.00 C +ATOM 25 CA ASP A 25 270.064 262.688 248.509 1.00 0.00 C +ATOM 26 CA GLU A 26 270.260 265.898 250.551 1.00 0.00 C +ATOM 27 CA GLU A 27 270.612 267.717 253.880 1.00 0.00 C +ATOM 28 CA PRO A 28 274.056 267.387 255.477 1.00 0.00 C +ATOM 29 CA LYS A 29 276.891 269.307 257.146 1.00 0.00 C +ATOM 30 CA VAL A 30 280.323 268.535 258.610 1.00 0.00 C +TER 31 VAL A 30 +END diff --git a/Mammals/Q679Y0/Q679Y0.dcd b/Mammals/Q679Y0/Q679Y0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..3f9b85de14a0855284b49108a9f3357f34fe6916 --- /dev/null +++ b/Mammals/Q679Y0/Q679Y0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a55a671aaf0dc903d51e5ef2b00ec493f849f6cee0564e5f34ee300b99572a18 +size 4880276 diff --git a/Mammals/Q679Y0/top.pdb b/Mammals/Q679Y0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a497abf6e3eadd3ff6314c468042b6165c0027e1 --- /dev/null +++ b/Mammals/Q679Y0/top.pdb @@ -0,0 +1,38 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA PRO A 1 241.158 237.224 241.123 1.00 0.00 C +ATOM 2 CA SER A 2 242.146 235.212 244.204 1.00 0.00 C +ATOM 3 CA ASP A 3 239.750 235.623 247.138 1.00 0.00 C +ATOM 4 CA GLU A 4 241.963 236.214 250.182 1.00 0.00 C +ATOM 5 CA GLN A 5 242.420 236.009 253.959 1.00 0.00 C +ATOM 6 CA ARG A 6 244.593 238.770 255.433 1.00 0.00 C +ATOM 7 CA ARG A 7 247.466 238.018 257.820 1.00 0.00 C +ATOM 8 CA ARG A 8 247.206 237.248 261.542 1.00 0.00 C +ATOM 9 CA ARG A 9 250.563 237.012 263.327 1.00 0.00 C +ATOM 10 CA GLN A 10 251.533 233.381 263.955 1.00 0.00 C +ATOM 11 CA GLN A 11 254.463 232.085 261.892 1.00 0.00 C +ATOM 12 CA GLN A 12 255.080 231.732 258.149 1.00 0.00 C +ATOM 13 CA GLN A 13 254.230 230.301 254.722 1.00 0.00 C +ATOM 14 CA GLN A 14 253.708 230.429 250.950 1.00 0.00 C +ATOM 15 CA GLN A 15 254.089 233.556 248.807 1.00 0.00 C +ATOM 16 CA GLN A 16 251.664 235.534 246.634 1.00 0.00 C +ATOM 17 CA GLN A 17 253.139 238.698 245.107 1.00 0.00 C +ATOM 18 CA GLN A 18 254.111 242.334 245.703 1.00 0.00 C +ATOM 19 CA GLN A 19 257.017 244.626 246.608 1.00 0.00 C +ATOM 20 CA GLN A 20 256.821 247.986 244.824 1.00 0.00 C +ATOM 21 CA PRO A 21 254.250 250.603 243.795 1.00 0.00 C +ATOM 22 CA GLN A 22 251.029 252.636 243.715 1.00 0.00 C +ATOM 23 CA VAL A 23 249.347 255.817 244.968 1.00 0.00 C +ATOM 24 CA PRO A 24 251.951 258.595 244.842 1.00 0.00 C +ATOM 25 CA SER A 25 253.292 262.073 245.633 1.00 0.00 C +ATOM 26 CA SER A 26 250.963 264.797 244.341 1.00 0.00 C +ATOM 27 CA GLU A 27 251.536 267.981 246.354 1.00 0.00 C +ATOM 28 CA GLY A 28 252.940 271.323 245.181 1.00 0.00 C +ATOM 29 CA GLY A 29 251.438 274.686 246.156 1.00 0.00 C +ATOM 30 CA GLN A 30 247.906 275.917 246.881 1.00 0.00 C +ATOM 31 CA LEU A 31 247.537 279.626 247.669 1.00 0.00 C +ATOM 32 CA ARG A 32 247.170 282.659 249.946 1.00 0.00 C +ATOM 33 CA HIS A 33 247.503 284.698 253.148 1.00 0.00 C +ATOM 34 CA ASN A 34 250.016 286.596 255.292 1.00 0.00 C +TER 35 ASN A 34 +END diff --git a/Mammals/Q679Z0/Q679Z0.dcd b/Mammals/Q679Z0/Q679Z0.dcd new file mode 100644 index 0000000000000000000000000000000000000000..7ee431cefe0041ee2df0893501caf294d5b66a0b --- /dev/null +++ b/Mammals/Q679Z0/Q679Z0.dcd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5e0afcd1c7e1b22aa70ba9c49f315cb567d23a557fef3d7666d7558dc531f97a +size 5480276 diff --git a/Mammals/Q679Z0/top.pdb b/Mammals/Q679Z0/top.pdb new file mode 100644 index 0000000000000000000000000000000000000000..43756734bccf01892b96d3921f99155ca2b45e0d --- /dev/null +++ b/Mammals/Q679Z0/top.pdb @@ -0,0 +1,43 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-04 +CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1 +ATOM 1 CA PRO A 1 271.159 243.139 232.588 1.00 0.00 C +ATOM 2 CA SER A 2 267.453 243.503 231.785 1.00 0.00 C +ATOM 3 CA ASP A 3 265.152 240.941 233.415 1.00 0.00 C +ATOM 4 CA GLY A 4 261.574 240.256 232.298 1.00 0.00 C +ATOM 5 CA GLN A 5 259.859 242.979 230.259 1.00 0.00 C +ATOM 6 CA ARG A 6 257.267 245.168 231.992 1.00 0.00 C +ATOM 7 CA ARG A 7 257.547 248.930 232.524 1.00 0.00 C +ATOM 8 CA ARG A 8 257.302 252.426 231.030 1.00 0.00 C +ATOM 9 CA ARG A 9 257.902 255.981 229.797 1.00 0.00 C +ATOM 10 CA GLN A 10 255.723 257.589 227.117 1.00 0.00 C +ATOM 11 CA GLN A 11 252.175 258.976 227.200 1.00 0.00 C +ATOM 12 CA GLN A 12 248.751 257.399 227.755 1.00 0.00 C +ATOM 13 CA GLN A 13 248.459 253.600 227.784 1.00 0.00 C +ATOM 14 CA GLN A 14 250.111 251.790 230.701 1.00 0.00 C +ATOM 15 CA GLN A 15 250.805 254.448 233.341 1.00 0.00 C +ATOM 16 CA GLN A 16 252.372 252.937 236.469 1.00 0.00 C +ATOM 17 CA GLN A 17 253.457 250.133 238.809 1.00 0.00 C +ATOM 18 CA GLN A 18 253.953 249.499 242.533 1.00 0.00 C +ATOM 19 CA GLN A 19 255.100 246.969 245.140 1.00 0.00 C +ATOM 20 CA PRO A 20 255.001 247.155 248.944 1.00 0.00 C +ATOM 21 CA GLN A 21 252.019 245.953 250.988 1.00 0.00 C +ATOM 22 CA GLN A 22 252.964 245.869 254.679 1.00 0.00 C +ATOM 23 CA PRO A 23 250.658 243.235 256.183 1.00 0.00 C +ATOM 24 CA GLN A 24 251.516 242.622 259.844 1.00 0.00 C +ATOM 25 CA GLN A 25 252.541 245.689 261.858 1.00 0.00 C +ATOM 26 CA PRO A 26 252.235 248.900 263.886 1.00 0.00 C +ATOM 27 CA GLN A 27 250.830 252.436 263.690 1.00 0.00 C +ATOM 28 CA VAL A 28 247.488 252.328 265.517 1.00 0.00 C +ATOM 29 CA LEU A 29 243.833 251.446 264.901 1.00 0.00 C +ATOM 30 CA SER A 30 241.323 249.345 266.852 1.00 0.00 C +ATOM 31 CA SER A 31 238.737 250.364 269.457 1.00 0.00 C +ATOM 32 CA GLU A 32 235.261 251.725 268.692 1.00 0.00 C +ATOM 33 CA GLY A 33 232.630 251.080 271.370 1.00 0.00 C +ATOM 34 CA GLY A 34 232.605 252.503 274.904 1.00 0.00 C +ATOM 35 CA GLN A 35 232.600 253.726 278.513 1.00 0.00 C +ATOM 36 CA LEU A 36 235.757 252.812 280.439 1.00 0.00 C +ATOM 37 CA ARG A 37 238.573 254.846 278.873 1.00 0.00 C +ATOM 38 CA HIS A 38 239.539 254.533 275.201 1.00 0.00 C +ATOM 39 CA ASN A 39 237.771 256.770 272.675 1.00 0.00 C +TER 40 ASN A 39 +END