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%40026.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Frestrained%2Foutputs%2F1l2y_csa%40026.pdb;h=55dad9b81aee993b6ad3ca1857751e5ce36d65be;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@026.pdb b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@026.pdb new file mode 100644 index 0000000..55dad9b --- /dev/null +++ b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@026.pdb @@ -0,0 +1,61 @@ +REMARK GM 26 e 1164002 m 3631 ENERGY -8.87397E+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 0.363 0.142 0.000 +ATOM 3 CA LEU 2 4.060 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.718 -5.673 -0.319 0.000 +ATOM 5 CA TYR 3 6.096 -3.749 -3.208 0.000 +ATOM 6 CB TYR 3 5.788 -1.312 -3.572 0.000 +ATOM 7 CA ILE 4 9.306 -3.437 -1.198 0.000 +ATOM 8 CB ILE 4 10.075 -1.886 -0.805 0.000 +ATOM 9 CA GLN 5 8.237 -6.382 0.954 0.000 +ATOM 10 CB GLN 5 7.229 -4.999 2.400 0.000 +ATOM 11 CA TRP 6 7.042 -8.218 -2.151 0.000 +ATOM 12 CB TRP 6 7.346 -10.392 -3.553 0.000 +ATOM 13 CA LEU 7 10.225 -7.288 -4.006 0.000 +ATOM 14 CB LEU 7 9.393 -5.910 -5.087 0.000 +ATOM 15 CA LYS 8 12.313 -8.755 -1.191 0.000 +ATOM 16 CB LYS 8 12.920 -6.470 -0.260 0.000 +ATOM 17 CA ASP 9 10.083 -11.822 -0.942 0.000 +ATOM 18 CB ASP 9 8.775 -11.328 0.041 0.000 +ATOM 19 CA GLY 10 11.144 -13.029 -4.385 0.000 +ATOM 20 CA GLY 11 9.828 -10.828 -7.190 0.000 +ATOM 21 CA PRO 12 6.058 -10.497 -7.525 0.000 +ATOM 22 CB PRO 12 6.147 -9.155 -7.521 0.000 +ATOM 23 CA SER 13 5.551 -14.190 -8.265 0.000 +ATOM 24 CB SER 13 6.516 -14.784 -8.462 0.000 +ATOM 25 CA SER 14 5.191 -15.229 -4.627 0.000 +ATOM 26 CB SER 14 4.900 -14.317 -3.989 0.000 +ATOM 27 CA GLY 15 2.106 -17.046 -3.354 0.000 +ATOM 28 CA ARG 16 0.554 -13.977 -1.737 0.000 +ATOM 29 CB ARG 16 2.854 -12.136 -1.073 0.000 +ATOM 30 CA PRO 17 -0.612 -10.829 -3.518 0.000 +ATOM 31 CB PRO 17 -1.530 -10.911 -2.539 0.000 +ATOM 32 CA PRO 18 1.931 -8.083 -4.175 0.000 +ATOM 33 CB PRO 18 2.759 -9.129 -4.351 0.000 +ATOM 34 CA PRO 19 0.528 -4.692 -5.160 0.000 +ATOM 35 CB PRO 19 1.313 -3.958 -4.351 0.000 +ATOM 36 CA SER 20 3.259 -4.025 -7.717 0.000 +ATOM 37 CB SER 20 4.308 -4.148 -7.263 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