X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Funrestrained%2Foutputs%2F1l2y_csa%40021.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Funrestrained%2Foutputs%2F1l2y_csa%40021.pdb;h=e9362951a2fd1bb0978854e50251da2988f4b6c7;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@021.pdb b/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@021.pdb new file mode 100644 index 0000000..e936295 --- /dev/null +++ b/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@021.pdb @@ -0,0 +1,61 @@ +REMARK GM 21 e 1110077 m 3289 ENERGY -8.51711E+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 5.266 0.744 0.363 0.000 +ATOM 3 CA LEU 2 5.512 -3.392 0.000 0.000 +ATOM 4 CB LEU 2 5.574 -5.251 -0.550 0.000 +ATOM 5 CA TYR 3 9.254 -2.743 0.151 0.000 +ATOM 6 CB TYR 3 9.805 -0.634 1.342 0.000 +ATOM 7 CA ILE 4 10.037 -6.404 0.807 0.000 +ATOM 8 CB ILE 4 9.090 -7.398 1.933 0.000 +ATOM 9 CA GLN 5 9.587 -7.139 -2.894 0.000 +ATOM 10 CB GLN 5 8.334 -5.668 -4.028 0.000 +ATOM 11 CA TRP 6 11.839 -4.182 -3.685 0.000 +ATOM 12 CB TRP 6 12.143 -1.967 -2.348 0.000 +ATOM 13 CA LEU 7 14.404 -5.597 -1.264 0.000 +ATOM 14 CB LEU 7 14.988 -4.648 0.322 0.000 +ATOM 15 CA LYS 8 14.469 -8.832 -3.256 0.000 +ATOM 16 CB LYS 8 12.956 -9.825 -1.473 0.000 +ATOM 17 CA ASP 9 14.665 -6.933 -6.542 0.000 +ATOM 18 CB ASP 9 14.088 -5.326 -6.477 0.000 +ATOM 19 CA GLY 10 18.179 -5.711 -5.768 0.000 +ATOM 20 CA GLY 11 18.724 -3.771 -2.547 0.000 +ATOM 21 CA PRO 12 16.297 -0.929 -3.237 0.000 +ATOM 22 CB PRO 12 16.295 -0.586 -1.936 0.000 +ATOM 23 CA SER 13 16.622 -1.026 -7.022 0.000 +ATOM 24 CB SER 13 16.627 -2.088 -7.463 0.000 +ATOM 25 CA SER 14 12.954 -0.178 -7.538 0.000 +ATOM 26 CB SER 14 12.357 -0.600 -6.650 0.000 +ATOM 27 CA GLY 15 11.151 3.166 -7.631 0.000 +ATOM 28 CA ARG 16 10.129 3.100 -3.972 0.000 +ATOM 29 CB ARG 16 9.108 0.337 -3.306 0.000 +ATOM 30 CA PRO 17 11.717 4.583 -0.854 0.000 +ATOM 31 CB PRO 17 10.526 4.229 -0.340 0.000 +ATOM 32 CA PRO 18 14.898 3.059 0.560 0.000 +ATOM 33 CB PRO 18 15.287 4.334 0.741 0.000 +ATOM 34 CA PRO 19 14.666 1.130 3.826 0.000 +ATOM 35 CB PRO 19 14.142 0.243 2.962 0.000 +ATOM 36 CA SER 20 17.445 1.637 6.368 0.000 +ATOM 37 CB SER 20 17.078 2.497 7.036 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