X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Frestrained%2Foutputs%2F1l2y_csa%40029.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Frestrained%2Foutputs%2F1l2y_csa%40029.pdb;h=4d1bf29a757780b74b73b7f95abbd5c0dbeac61f;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@029.pdb b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@029.pdb new file mode 100644 index 0000000..4d1bf29 --- /dev/null +++ b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@029.pdb @@ -0,0 +1,61 @@ +REMARK GM 29 e 1501986 m 4780 ENERGY -8.93252E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.438 0.371 0.121 0.000 +ATOM 3 CA LEU 2 4.059 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.806 -5.640 -0.526 0.000 +ATOM 5 CA TYR 3 6.141 -3.730 -3.178 0.000 +ATOM 6 CB TYR 3 5.785 -1.308 -3.599 0.000 +ATOM 7 CA ILE 4 9.334 -3.268 -1.170 0.000 +ATOM 8 CB ILE 4 10.113 -1.691 -0.919 0.000 +ATOM 9 CA GLN 5 8.219 -5.951 1.278 0.000 +ATOM 10 CB GLN 5 7.119 -4.502 2.585 0.000 +ATOM 11 CA TRP 6 7.145 -8.162 -1.619 0.000 +ATOM 12 CB TRP 6 6.724 -10.212 -3.170 0.000 +ATOM 13 CA LEU 7 10.288 -7.321 -3.582 0.000 +ATOM 14 CB LEU 7 9.247 -6.270 -4.837 0.000 +ATOM 15 CA LYS 8 12.463 -8.241 -0.605 0.000 +ATOM 16 CB LYS 8 13.150 -5.849 -0.092 0.000 +ATOM 17 CA ASP 9 10.136 -11.056 0.446 0.000 +ATOM 18 CB ASP 9 9.117 -9.935 1.236 0.000 +ATOM 19 CA GLY 10 10.813 -13.018 -2.737 0.000 +ATOM 20 CA GLY 11 9.825 -11.610 -6.125 0.000 +ATOM 21 CA PRO 12 6.652 -10.928 -8.102 0.000 +ATOM 22 CB PRO 12 6.954 -11.685 -9.172 0.000 +ATOM 23 CA SER 13 4.180 -13.671 -7.204 0.000 +ATOM 24 CB SER 13 3.682 -14.213 -8.088 0.000 +ATOM 25 CA SER 14 7.003 -16.154 -6.653 0.000 +ATOM 26 CB SER 14 8.012 -15.642 -6.858 0.000 +ATOM 27 CA GLY 15 7.085 -15.481 -2.913 0.000 +ATOM 28 CA ARG 16 4.470 -13.365 -1.146 0.000 +ATOM 29 CB ARG 16 5.003 -10.842 0.426 0.000 +ATOM 30 CA PRO 17 1.842 -11.223 -2.863 0.000 +ATOM 31 CB PRO 17 1.385 -11.051 -1.610 0.000 +ATOM 32 CA PRO 18 2.885 -8.088 -4.739 0.000 +ATOM 33 CB PRO 18 3.225 -9.029 -5.638 0.000 +ATOM 34 CA PRO 19 0.801 -4.965 -5.328 0.000 +ATOM 35 CB PRO 19 1.477 -4.152 -4.495 0.000 +ATOM 36 CA SER 20 3.248 -3.521 -7.851 0.000 +ATOM 37 CB SER 20 4.311 -3.432 -7.421 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