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%40018.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Frestrained%2Foutputs%2F1l2y_csa%40018.pdb;h=e76a22c989bbca3096373d643395665c07d39935;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@018.pdb b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@018.pdb new file mode 100644 index 0000000..e76a22c --- /dev/null +++ b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@018.pdb @@ -0,0 +1,61 @@ +REMARK GM 18 e 354506 m 976 ENERGY -8.23575E+01 +HELIX 1 H1 ILE 4 GLY 10 1 6 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.373 0.152 1.576 0.000 +ATOM 3 CA LEU 2 5.692 -3.296 0.000 0.000 +ATOM 4 CB LEU 2 5.940 -3.940 -1.812 0.000 +ATOM 5 CA TYR 3 6.937 -2.729 3.545 0.000 +ATOM 6 CB TYR 3 7.455 -1.354 5.548 0.000 +ATOM 7 CA ILE 4 3.408 -3.093 4.906 0.000 +ATOM 8 CB ILE 4 2.347 -3.226 3.487 0.000 +ATOM 9 CA GLN 5 4.664 -5.655 7.416 0.000 +ATOM 10 CB GLN 5 5.738 -6.947 5.934 0.000 +ATOM 11 CA TRP 6 6.647 -2.904 9.131 0.000 +ATOM 12 CB TRP 6 7.632 -1.512 11.100 0.000 +ATOM 13 CA LEU 7 3.655 -0.567 8.975 0.000 +ATOM 14 CB LEU 7 3.773 0.697 7.509 0.000 +ATOM 15 CA LYS 8 1.469 -3.201 10.625 0.000 +ATOM 16 CB LYS 8 0.234 -3.655 8.452 0.000 +ATOM 17 CA ASP 9 4.290 -4.330 12.907 0.000 +ATOM 18 CB ASP 9 5.068 -5.296 11.731 0.000 +ATOM 19 CA GLY 10 4.374 -0.952 14.647 0.000 +ATOM 20 CA GLY 11 5.498 2.029 12.576 0.000 +ATOM 21 CA PRO 12 8.838 2.944 11.013 0.000 +ATOM 22 CB PRO 12 8.910 4.182 11.535 0.000 +ATOM 23 CA SER 13 11.403 1.989 13.649 0.000 +ATOM 24 CB SER 13 12.180 2.791 13.922 0.000 +ATOM 25 CA SER 14 8.950 2.708 16.460 0.000 +ATOM 26 CB SER 14 7.926 3.014 16.034 0.000 +ATOM 27 CA GLY 15 8.095 -0.973 16.858 0.000 +ATOM 28 CA ARG 16 10.107 -3.650 15.061 0.000 +ATOM 29 CB ARG 16 9.255 -4.724 12.370 0.000 +ATOM 30 CA PRO 17 12.685 -2.930 12.364 0.000 +ATOM 31 CB PRO 17 13.200 -4.072 12.854 0.000 +ATOM 32 CA PRO 18 11.361 -2.051 8.912 0.000 +ATOM 33 CB PRO 18 11.330 -0.787 9.371 0.000 +ATOM 34 CA PRO 19 11.736 -4.656 6.171 0.000 +ATOM 35 CB PRO 19 10.400 -4.692 6.327 0.000 +ATOM 36 CA SER 20 13.888 -3.793 3.161 0.000 +ATOM 37 CB SER 20 14.696 -4.590 2.975 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