X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40035.pdb;fp=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40035.pdb;h=bd0a3cbbdac32cc3d77516b1c9be379df9451f5d;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@035.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@035.pdb new file mode 100644 index 0000000..bd0a3cb --- /dev/null +++ b/examples/unres/CSA/4P/outputs/1l2y_csa@035.pdb @@ -0,0 +1,63 @@ +REMARK GM 35 e 3390816 m 14474 ENERGY -2.12979E+02 +HELIX 1 H1 TYR 3 GLY 10 1 7 +SHEET 1 B1 2 GLY 11 SER 13 0 +SHEET 2 B1 2 ARG 16 PRO 18 -1 N PRO 18 O GLY 11 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.285 1.406 0.789 0.000 +ATOM 3 CA LEU 2 4.040 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 5.336 -4.667 1.146 0.000 +ATOM 5 CA TYR 3 1.500 -4.120 -2.808 0.000 +ATOM 6 CB TYR 3 -0.430 -3.085 -3.980 0.000 +ATOM 7 CA ILE 4 2.608 -7.666 -3.607 0.000 +ATOM 8 CB ILE 4 4.105 -7.935 -2.690 0.000 +ATOM 9 CA GLN 5 0.674 -9.093 -0.664 0.000 +ATOM 10 CB GLN 5 2.131 -9.531 0.980 0.000 +ATOM 11 CA TRP 6 -2.316 -6.882 -1.446 0.000 +ATOM 12 CB TRP 6 -3.410 -4.519 -1.530 0.000 +ATOM 13 CA LEU 7 -2.279 -7.889 -5.110 0.000 +ATOM 14 CB LEU 7 -2.546 -6.464 -6.397 0.000 +ATOM 15 CA LYS 8 -1.634 -11.524 -4.208 0.000 +ATOM 16 CB LYS 8 -1.098 -11.757 -1.735 0.000 +ATOM 17 CA ASP 9 -4.806 -11.700 -2.123 0.000 +ATOM 18 CB ASP 9 -6.198 -11.746 -1.133 0.000 +ATOM 19 CA GLY 10 -7.068 -11.768 -5.176 0.000 +ATOM 20 CA GLY 11 -8.851 -14.732 -6.750 0.000 +ATOM 21 CA PRO 12 -7.991 -18.391 -6.191 0.000 +ATOM 22 CB PRO 12 -9.152 -18.579 -6.844 0.000 +ATOM 23 CA SER 13 -4.640 -19.381 -7.684 0.000 +ATOM 24 CB SER 13 -4.538 -20.470 -8.040 0.000 +ATOM 25 CA SER 14 -5.757 -17.989 -11.039 0.000 +ATOM 26 CB SER 14 -6.899 -17.903 -11.146 0.000 +ATOM 27 CA GLY 15 -5.260 -14.435 -9.790 0.000 +ATOM 28 CA ARG 16 -3.894 -14.967 -6.284 0.000 +ATOM 29 CB ARG 16 -1.505 -14.134 -7.932 0.000 +ATOM 30 CA PRO 17 -5.625 -16.227 -3.144 0.000 +ATOM 31 CB PRO 17 -4.602 -15.598 -2.537 0.000 +ATOM 32 CA PRO 18 -9.024 -14.862 -2.132 0.000 +ATOM 33 CB PRO 18 -9.500 -15.974 -2.719 0.000 +ATOM 34 CA PRO 19 -9.807 -14.434 1.561 0.000 +ATOM 35 CB PRO 19 -10.238 -13.218 1.182 0.000 +ATOM 36 CA SER 20 -12.463 -17.152 1.520 0.000 +ATOM 37 CB SER 20 -13.129 -17.199 0.584 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL