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%40001.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Frestrained%2Foutputs%2F1l2y_csa%40001.pdb;h=fde849b8e439191c971f639c08a85251a9447c23;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@001.pdb b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@001.pdb new file mode 100644 index 0000000..fde849b --- /dev/null +++ b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@001.pdb @@ -0,0 +1,61 @@ +REMARK GM 1 e 221 m 1 ENERGY -5.90362E+01 +HELIX 1 H1 TYR 3 ASP 9 1 6 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.012 1.619 0.411 0.000 +ATOM 3 CA LEU 2 5.499 -3.399 0.000 0.000 +ATOM 4 CB LEU 2 5.681 -5.114 -0.886 0.000 +ATOM 5 CA TYR 3 8.701 -3.696 2.025 0.000 +ATOM 6 CB TYR 3 7.728 -2.788 4.122 0.000 +ATOM 7 CA ILE 4 8.907 -7.438 1.396 0.000 +ATOM 8 CB ILE 4 7.698 -8.468 2.190 0.000 +ATOM 9 CA GLN 5 10.081 -6.783 -2.159 0.000 +ATOM 10 CB GLN 5 9.518 -4.787 -3.005 0.000 +ATOM 11 CA TRP 6 12.410 -4.051 -0.913 0.000 +ATOM 12 CB TRP 6 14.244 -2.908 -2.368 0.000 +ATOM 13 CA LEU 7 13.613 -6.263 1.933 0.000 +ATOM 14 CB LEU 7 12.499 -5.552 3.352 0.000 +ATOM 15 CA LYS 8 14.122 -9.176 -0.453 0.000 +ATOM 16 CB LYS 8 12.117 -10.511 0.355 0.000 +ATOM 17 CA ASP 9 15.844 -6.948 -3.006 0.000 +ATOM 18 CB ASP 9 14.482 -6.471 -3.922 0.000 +ATOM 19 CA GLY 10 19.233 -7.029 -1.290 0.000 +ATOM 20 CA GLY 11 18.062 -6.545 2.293 0.000 +ATOM 21 CA PRO 12 17.388 -10.252 2.784 0.000 +ATOM 22 CB PRO 12 16.102 -9.926 3.002 0.000 +ATOM 23 CA SER 13 20.561 -11.093 0.868 0.000 +ATOM 24 CB SER 13 20.385 -10.823 -0.236 0.000 +ATOM 25 CA SER 14 22.663 -9.107 3.334 0.000 +ATOM 26 CB SER 14 21.545 -8.923 3.527 0.000 +ATOM 27 CA GLY 15 26.351 -9.998 3.546 0.000 +ATOM 28 CA ARG 16 27.709 -13.312 4.816 0.000 +ATOM 29 CB ARG 16 29.678 -13.697 7.074 0.000 +ATOM 30 CA PRO 17 25.851 -15.788 7.019 0.000 +ATOM 31 CB PRO 17 26.443 -16.616 6.140 0.000 +ATOM 32 CA PRO 18 26.122 -15.482 10.797 0.000 +ATOM 33 CB PRO 18 26.788 -14.364 10.457 0.000 +ATOM 34 CA PRO 19 23.124 -15.650 13.126 0.000 +ATOM 35 CB PRO 19 23.788 -16.731 13.570 0.000 +ATOM 36 CA SER 20 21.955 -12.627 15.109 0.000 +ATOM 37 CB SER 20 22.468 -12.458 16.124 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