X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2FGAB%2Flocal%2Foutputs%2F1l2y_csa%40013.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Flocal%2Foutputs%2F1l2y_csa%40013.pdb;h=3b6541a6fd640be5537a77262f8f074ba6e19d07;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/local/outputs/1l2y_csa@013.pdb b/examples/unres/CSA/GAB/local/outputs/1l2y_csa@013.pdb new file mode 100644 index 0000000..3b6541a --- /dev/null +++ b/examples/unres/CSA/GAB/local/outputs/1l2y_csa@013.pdb @@ -0,0 +1,61 @@ +REMARK GM 13 e 310129 m 584 rms 2.30 %NC 53.3 ENERGY -8.93603E+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 5.125 0.917 0.489 0.000 +ATOM 3 CA LEU 2 5.216 -3.526 0.000 0.000 +ATOM 4 CB LEU 2 5.571 -5.326 -0.629 0.000 +ATOM 5 CA TYR 3 8.529 -2.346 -1.437 0.000 +ATOM 6 CB TYR 3 8.103 0.017 -2.073 0.000 +ATOM 7 CA ILE 4 9.780 -1.254 1.981 0.000 +ATOM 8 CB ILE 4 9.770 0.421 2.571 0.000 +ATOM 9 CA GLN 5 8.368 -4.393 3.591 0.000 +ATOM 10 CB GLN 5 6.348 -3.447 3.800 0.000 +ATOM 11 CA TRP 6 9.738 -6.487 0.731 0.000 +ATOM 12 CB TRP 6 9.530 -8.638 -0.724 0.000 +ATOM 13 CA LEU 7 12.995 -4.530 0.784 0.000 +ATOM 14 CB LEU 7 12.586 -3.914 -1.008 0.000 +ATOM 15 CA LYS 8 13.300 -5.056 4.535 0.000 +ATOM 16 CB LYS 8 12.494 -2.794 5.365 0.000 +ATOM 17 CA ASP 9 12.462 -8.749 4.222 0.000 +ATOM 18 CB ASP 9 10.802 -8.470 3.928 0.000 +ATOM 19 CA GLY 10 15.937 -9.447 2.852 0.000 +ATOM 20 CA GLY 11 15.933 -7.536 -0.433 0.000 +ATOM 21 CA PRO 12 13.280 -9.561 -2.251 0.000 +ATOM 22 CB PRO 12 12.925 -8.543 -3.056 0.000 +ATOM 23 CA SER 13 14.295 -12.791 -0.525 0.000 +ATOM 24 CB SER 13 15.107 -12.667 0.280 0.000 +ATOM 25 CA SER 14 11.324 -12.809 1.845 0.000 +ATOM 26 CB SER 14 10.704 -11.841 1.814 0.000 +ATOM 27 CA GLY 15 8.297 -15.055 1.370 0.000 +ATOM 28 CA ARG 16 6.233 -12.421 -0.430 0.000 +ATOM 29 CB ARG 16 6.578 -9.939 1.255 0.000 +ATOM 30 CA PRO 17 6.358 -11.293 -4.057 0.000 +ATOM 31 CB PRO 17 5.238 -10.655 -3.672 0.000 +ATOM 32 CA PRO 18 9.373 -9.327 -5.274 0.000 +ATOM 33 CB PRO 18 9.336 -10.204 -6.294 0.000 +ATOM 34 CA PRO 19 8.971 -5.630 -6.052 0.000 +ATOM 35 CB PRO 19 9.030 -5.582 -4.709 0.000 +ATOM 36 CA SER 20 10.707 -4.300 -9.160 0.000 +ATOM 37 CB SER 20 9.978 -3.737 -9.848 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