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%40042.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Frestrained%2Foutputs%2F1l2y_csa%40042.pdb;h=1903a79d9e150d10ff2842fc734a861913ecba24;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@042.pdb b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@042.pdb new file mode 100644 index 0000000..1903a79 --- /dev/null +++ b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@042.pdb @@ -0,0 +1,61 @@ +REMARK GM 42 e 4525954 m 15329 ENERGY -9.23023E+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 0.439 0.146 0.000 +ATOM 3 CA LEU 2 4.057 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.634 -5.642 -0.397 0.000 +ATOM 5 CA TYR 3 6.074 -3.753 -3.221 0.000 +ATOM 6 CB TYR 3 5.920 -1.303 -3.600 0.000 +ATOM 7 CA ILE 4 9.308 -3.218 -1.299 0.000 +ATOM 8 CB ILE 4 10.013 -1.624 -0.961 0.000 +ATOM 9 CA GLN 5 8.306 -5.880 1.220 0.000 +ATOM 10 CB GLN 5 7.172 -4.406 2.469 0.000 +ATOM 11 CA TRP 6 7.149 -8.137 -1.609 0.000 +ATOM 12 CB TRP 6 5.717 -10.175 -2.370 0.000 +ATOM 13 CA LEU 7 10.229 -7.239 -3.646 0.000 +ATOM 14 CB LEU 7 9.020 -6.658 -5.046 0.000 +ATOM 15 CA LYS 8 12.462 -7.946 -0.654 0.000 +ATOM 16 CB LYS 8 12.896 -5.593 0.202 0.000 +ATOM 17 CA ASP 9 10.718 -11.251 0.034 0.000 +ATOM 18 CB ASP 9 9.256 -10.600 0.633 0.000 +ATOM 19 CA GLY 10 12.585 -12.842 -2.869 0.000 +ATOM 20 CA GLY 11 11.179 -10.927 -5.834 0.000 +ATOM 21 CA PRO 12 7.603 -12.190 -5.604 0.000 +ATOM 22 CB PRO 12 7.052 -11.095 -6.159 0.000 +ATOM 23 CA SER 13 8.692 -15.604 -4.342 0.000 +ATOM 24 CB SER 13 9.819 -15.708 -4.139 0.000 +ATOM 25 CA SER 14 7.635 -14.924 -0.756 0.000 +ATOM 26 CB SER 14 7.278 -13.845 -0.582 0.000 +ATOM 27 CA GLY 15 4.466 -16.486 0.645 0.000 +ATOM 28 CA ARG 16 2.289 -13.450 -0.051 0.000 +ATOM 29 CB ARG 16 3.964 -11.109 0.863 0.000 +ATOM 30 CA PRO 17 0.571 -12.229 -3.213 0.000 +ATOM 31 CB PRO 17 0.573 -11.056 -2.556 0.000 +ATOM 32 CA PRO 18 2.870 -10.888 -5.925 0.000 +ATOM 33 CB PRO 18 2.234 -11.824 -6.653 0.000 +ATOM 34 CA PRO 19 2.739 -7.151 -6.600 0.000 +ATOM 35 CB PRO 19 3.640 -7.054 -5.606 0.000 +ATOM 36 CA SER 20 4.499 -7.428 -9.956 0.000 +ATOM 37 CB SER 20 5.618 -7.669 -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