X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40006.pdb;h=05d6637eec240f3c074d42226248a9be7312648d;hb=2e05a10431d08dca03d294fb3f587bf73fd226e6;hp=176574372c85fdfac2327eedad6de7f631f86f63;hpb=973e30c3fc3444f4e49450c68a510ce149896509;p=unres.git diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@006.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@006.pdb index 1765743..05d6637 100644 --- a/examples/unres/CSA/4P/outputs/1l2y_csa@006.pdb +++ b/examples/unres/CSA/4P/outputs/1l2y_csa@006.pdb @@ -1,41 +1,43 @@ -REMARK GM 6 e 8133 m 26 ENERGY -1.17988E+02 +REMARK GM 6 e 23548 m 58 ENERGY -1.71924E+02 +SHEET 1 B1 2 ASN 1 TYR 3 0 +SHEET 2 B1 2 TRP 6 LYS 8 -1 N LYS 8 O ASN 1 ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 4.248 1.444 0.741 0.000 -ATOM 3 CA LEU 2 4.039 -3.792 0.000 0.000 -ATOM 4 CB LEU 2 4.943 -5.427 0.521 0.000 -ATOM 5 CA TYR 3 0.948 -5.674 -1.160 0.000 -ATOM 6 CB TYR 3 0.869 -5.063 -3.567 0.000 -ATOM 7 CA ILE 4 0.259 -9.411 -1.162 0.000 -ATOM 8 CB ILE 4 -1.005 -10.204 -0.199 0.000 -ATOM 9 CA GLN 5 2.162 -10.028 -4.393 0.000 -ATOM 10 CB GLN 5 2.051 -8.470 -5.998 0.000 -ATOM 11 CA TRP 6 5.477 -9.129 -2.769 0.000 -ATOM 12 CB TRP 6 4.916 -6.756 -3.685 0.000 -ATOM 13 CA LEU 7 6.984 -11.058 0.137 0.000 -ATOM 14 CB LEU 7 8.349 -12.389 0.494 0.000 -ATOM 15 CA LYS 8 6.025 -10.290 3.733 0.000 -ATOM 16 CB LYS 8 3.689 -9.375 3.330 0.000 -ATOM 17 CA ASP 9 7.923 -11.204 6.896 0.000 -ATOM 18 CB ASP 9 7.604 -9.982 8.048 0.000 -ATOM 19 CA GLY 10 6.743 -13.932 9.263 0.000 -ATOM 20 CA GLY 11 4.045 -11.828 10.917 0.000 -ATOM 21 CA PRO 12 0.998 -12.548 13.070 0.000 -ATOM 22 CB PRO 12 0.300 -11.453 12.718 0.000 -ATOM 23 CA SER 13 -1.682 -14.777 11.557 0.000 -ATOM 24 CB SER 13 -1.680 -15.822 12.037 0.000 -ATOM 25 CA SER 14 -5.442 -14.248 11.720 0.000 -ATOM 26 CB SER 14 -6.080 -13.385 11.309 0.000 -ATOM 27 CA GLY 15 -8.120 -16.943 11.671 0.000 -ATOM 28 CA ARG 16 -11.841 -16.352 11.181 0.000 -ATOM 29 CB ARG 16 -10.609 -13.615 10.847 0.000 -ATOM 30 CA PRO 17 -14.660 -18.865 10.755 0.000 -ATOM 31 CB PRO 17 -15.242 -17.965 11.568 0.000 -ATOM 32 CA PRO 18 -15.502 -20.022 7.235 0.000 -ATOM 33 CB PRO 18 -15.429 -21.241 7.797 0.000 -ATOM 34 CA PRO 19 -18.740 -18.783 5.678 0.000 -ATOM 35 CB PRO 19 -17.904 -17.809 5.276 0.000 -ATOM 36 CA SER 20 -21.061 -21.348 4.105 0.000 -ATOM 37 CB SER 20 -20.919 -21.551 2.982 0.000 +ATOM 2 CB ASN 1 5.310 0.520 0.533 0.000 +ATOM 3 CA LEU 2 4.040 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 5.450 -3.907 1.325 0.000 +ATOM 5 CA TYR 3 1.137 -4.151 -2.426 0.000 +ATOM 6 CB TYR 3 0.321 -3.682 -4.725 0.000 +ATOM 7 CA ILE 4 2.320 -7.523 -3.716 0.000 +ATOM 8 CB ILE 4 3.337 -7.715 -2.272 0.000 +ATOM 9 CA GLN 5 0.078 -9.415 -1.301 0.000 +ATOM 10 CB GLN 5 1.093 -11.139 -0.293 0.000 +ATOM 11 CA TRP 6 -1.219 -6.164 0.180 0.000 +ATOM 12 CB TRP 6 -2.567 -3.936 0.124 0.000 +ATOM 13 CA LEU 7 1.281 -5.324 2.916 0.000 +ATOM 14 CB LEU 7 2.451 -6.804 3.363 0.000 +ATOM 15 CA LYS 8 -0.202 -1.861 3.412 0.000 +ATOM 16 CB LYS 8 0.457 -1.531 0.980 0.000 +ATOM 17 CA ASP 9 -3.095 -3.168 5.500 0.000 +ATOM 18 CB ASP 9 -4.499 -4.107 5.757 0.000 +ATOM 19 CA GLY 10 -2.738 -3.129 9.283 0.000 +ATOM 20 CA GLY 11 -2.570 -5.921 11.856 0.000 +ATOM 21 CA PRO 12 -5.340 -8.158 13.183 0.000 +ATOM 22 CB PRO 12 -4.319 -8.527 13.977 0.000 +ATOM 23 CA SER 13 -8.808 -6.665 13.616 0.000 +ATOM 24 CB SER 13 -9.860 -6.328 13.297 0.000 +ATOM 25 CA SER 14 -11.201 -7.233 16.512 0.000 +ATOM 26 CB SER 14 -11.148 -6.927 17.619 0.000 +ATOM 27 CA GLY 15 -14.993 -7.317 16.280 0.000 +ATOM 28 CA ARG 16 -17.846 -6.484 18.649 0.000 +ATOM 29 CB ARG 16 -18.104 -4.097 20.481 0.000 +ATOM 30 CA PRO 17 -20.027 -8.947 20.551 0.000 +ATOM 31 CB PRO 17 -19.973 -7.943 21.445 0.000 +ATOM 32 CA PRO 18 -23.059 -10.388 18.769 0.000 +ATOM 33 CB PRO 18 -22.495 -11.554 19.133 0.000 +ATOM 34 CA PRO 19 -26.504 -9.300 19.946 0.000 +ATOM 35 CB PRO 19 -26.444 -8.633 18.779 0.000 +ATOM 36 CA SER 20 -28.797 -11.952 21.412 0.000 +ATOM 37 CB SER 20 -29.243 -11.640 22.425 0.000 TER CONECT 1 3 2 CONECT 3 5 4