X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Funrestrained%2Foutputs%2F1l2y_csa%40041.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Funrestrained%2Foutputs%2F1l2y_csa%40041.pdb;h=da836424ed318ad87b6a4c20c5e924ae98df286a;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hp=0000000000000000000000000000000000000000;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30;p=unres.git diff --git a/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@041.pdb b/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@041.pdb new file mode 100644 index 0000000..da83642 --- /dev/null +++ b/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@041.pdb @@ -0,0 +1,61 @@ +REMARK GM 41 e 9401072 m 31028 ENERGY -9.25427E+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 5.419 0.441 0.147 0.000 +ATOM 3 CA LEU 2 4.057 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.624 -5.637 -0.407 0.000 +ATOM 5 CA TYR 3 6.086 -3.752 -3.212 0.000 +ATOM 6 CB TYR 3 5.933 -1.304 -3.603 0.000 +ATOM 7 CA ILE 4 9.311 -3.197 -1.281 0.000 +ATOM 8 CB ILE 4 10.018 -1.601 -0.956 0.000 +ATOM 9 CA GLN 5 8.313 -5.856 1.244 0.000 +ATOM 10 CB GLN 5 7.156 -4.394 2.485 0.000 +ATOM 11 CA TRP 6 7.173 -8.126 -1.583 0.000 +ATOM 12 CB TRP 6 5.720 -10.157 -2.325 0.000 +ATOM 13 CA LEU 7 10.253 -7.222 -3.616 0.000 +ATOM 14 CB LEU 7 9.050 -6.600 -5.004 0.000 +ATOM 15 CA LYS 8 12.484 -7.929 -0.622 0.000 +ATOM 16 CB LYS 8 12.921 -5.568 0.210 0.000 +ATOM 17 CA ASP 9 10.723 -11.223 0.078 0.000 +ATOM 18 CB ASP 9 9.271 -10.556 0.685 0.000 +ATOM 19 CA GLY 10 12.559 -12.829 -2.835 0.000 +ATOM 20 CA GLY 11 11.155 -10.911 -5.800 0.000 +ATOM 21 CA PRO 12 7.566 -12.135 -5.552 0.000 +ATOM 22 CB PRO 12 7.040 -11.039 -6.127 0.000 +ATOM 23 CA SER 13 8.625 -15.557 -4.284 0.000 +ATOM 24 CB SER 13 9.752 -15.671 -4.088 0.000 +ATOM 25 CA SER 14 7.604 -14.862 -0.690 0.000 +ATOM 26 CB SER 14 7.258 -13.782 -0.505 0.000 +ATOM 27 CA GLY 15 4.448 -16.408 0.754 0.000 +ATOM 28 CA ARG 16 2.262 -13.384 0.038 0.000 +ATOM 29 CB ARG 16 3.959 -11.046 0.919 0.000 +ATOM 30 CA PRO 17 0.546 -12.216 -3.145 0.000 +ATOM 31 CB PRO 17 0.529 -11.041 -2.491 0.000 +ATOM 32 CA PRO 18 2.847 -10.866 -5.851 0.000 +ATOM 33 CB PRO 18 2.209 -11.793 -6.587 0.000 +ATOM 34 CA PRO 19 2.729 -7.132 -6.549 0.000 +ATOM 35 CB PRO 19 3.660 -7.051 -5.582 0.000 +ATOM 36 CA SER 20 4.020 -7.507 -10.103 0.000 +ATOM 37 CB SER 20 5.066 -7.367 -9.646 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