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%40034.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Frestrained%2Foutputs%2F1l2y_csa%40034.pdb;h=c60032b91573256d19c81cb1df8f2ec2e6cc575d;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@034.pdb b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@034.pdb new file mode 100644 index 0000000..c60032b --- /dev/null +++ b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@034.pdb @@ -0,0 +1,61 @@ +REMARK GM 34 e 2617988 m 8654 ENERGY -9.07454E+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 5.417 0.449 0.144 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.541 -5.605 -0.454 0.000 +ATOM 5 CA TYR 3 6.088 -3.750 -3.210 0.000 +ATOM 6 CB TYR 3 5.968 -1.302 -3.614 0.000 +ATOM 7 CA ILE 4 9.309 -3.115 -1.295 0.000 +ATOM 8 CB ILE 4 10.008 -1.502 -1.047 0.000 +ATOM 9 CA GLN 5 8.356 -5.730 1.293 0.000 +ATOM 10 CB GLN 5 7.178 -4.203 2.432 0.000 +ATOM 11 CA TRP 6 7.229 -8.070 -1.481 0.000 +ATOM 12 CB TRP 6 5.676 -10.016 -2.248 0.000 +ATOM 13 CA LEU 7 10.295 -7.188 -3.545 0.000 +ATOM 14 CB LEU 7 9.091 -6.498 -4.899 0.000 +ATOM 15 CA LYS 8 12.549 -7.850 -0.558 0.000 +ATOM 16 CB LYS 8 12.951 -5.460 0.208 0.000 +ATOM 17 CA ASP 9 10.778 -11.120 0.221 0.000 +ATOM 18 CB ASP 9 9.384 -10.358 0.850 0.000 +ATOM 19 CA GLY 10 12.509 -12.790 -2.721 0.000 +ATOM 20 CA GLY 11 11.097 -10.912 -5.707 0.000 +ATOM 21 CA PRO 12 7.479 -12.038 -5.424 0.000 +ATOM 22 CB PRO 12 6.994 -10.953 -6.054 0.000 +ATOM 23 CA SER 13 8.448 -15.442 -4.041 0.000 +ATOM 24 CB SER 13 9.574 -15.576 -3.846 0.000 +ATOM 25 CA SER 14 7.474 -14.595 -0.467 0.000 +ATOM 26 CB SER 14 7.221 -13.484 -0.313 0.000 +ATOM 27 CA GLY 15 4.261 -15.803 1.164 0.000 +ATOM 28 CA ARG 16 2.316 -12.629 0.400 0.000 +ATOM 29 CB ARG 16 4.190 -10.403 1.210 0.000 +ATOM 30 CA PRO 17 0.608 -11.522 -2.809 0.000 +ATOM 31 CB PRO 17 0.176 -10.539 -1.998 0.000 +ATOM 32 CA PRO 18 2.741 -10.596 -5.815 0.000 +ATOM 33 CB PRO 18 1.881 -11.397 -6.470 0.000 +ATOM 34 CA PRO 19 2.971 -6.942 -6.833 0.000 +ATOM 35 CB PRO 19 3.769 -6.936 -5.750 0.000 +ATOM 36 CA SER 20 2.872 -6.165 -10.552 0.000 +ATOM 37 CB SER 20 2.063 -5.388 -10.805 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