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%40021.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Frestrained%2Foutputs%2F1l2y_csa%40021.pdb;h=9a71dfa77e6e579eb572fae7adbfe6c0c0130689;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@021.pdb b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@021.pdb new file mode 100644 index 0000000..9a71dfa --- /dev/null +++ b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@021.pdb @@ -0,0 +1,61 @@ +REMARK GM 21 e 648694 m 1938 ENERGY -8.72577E+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 4.368 0.475 1.513 0.000 +ATOM 3 CA LEU 2 5.511 -3.393 0.000 0.000 +ATOM 4 CB LEU 2 6.508 -4.962 -0.552 0.000 +ATOM 5 CA TYR 3 8.945 -1.767 0.069 0.000 +ATOM 6 CB TYR 3 8.091 0.551 -0.190 0.000 +ATOM 7 CA ILE 4 8.819 -1.478 3.856 0.000 +ATOM 8 CB ILE 4 8.409 0.014 4.727 0.000 +ATOM 9 CA GLN 5 7.464 -5.019 4.114 0.000 +ATOM 10 CB GLN 5 5.332 -4.357 3.932 0.000 +ATOM 11 CA TRP 6 10.061 -6.202 1.604 0.000 +ATOM 12 CB TRP 6 11.889 -7.625 0.412 0.000 +ATOM 13 CA LEU 7 12.773 -4.126 3.270 0.000 +ATOM 14 CB LEU 7 12.798 -2.884 1.781 0.000 +ATOM 15 CA LYS 8 11.905 -5.605 6.661 0.000 +ATOM 16 CB LYS 8 10.872 -3.484 7.605 0.000 +ATOM 17 CA ASP 9 11.152 -9.016 5.166 0.000 +ATOM 18 CB ASP 9 9.577 -8.492 4.760 0.000 +ATOM 19 CA GLY 10 14.754 -9.482 4.048 0.000 +ATOM 20 CA GLY 11 16.242 -7.161 1.433 0.000 +ATOM 21 CA PRO 12 15.851 -6.517 -2.292 0.000 +ATOM 22 CB PRO 12 17.137 -6.718 -2.633 0.000 +ATOM 23 CA SER 13 15.158 -9.883 -3.912 0.000 +ATOM 24 CB SER 13 15.812 -10.152 -4.820 0.000 +ATOM 25 CA SER 14 17.233 -11.677 -1.282 0.000 +ATOM 26 CB SER 14 17.657 -10.907 -0.541 0.000 +ATOM 27 CA GLY 15 14.176 -12.462 0.835 0.000 +ATOM 28 CA ARG 16 10.626 -11.811 -0.354 0.000 +ATOM 29 CB ARG 16 8.636 -9.896 0.868 0.000 +ATOM 30 CA PRO 17 9.741 -9.852 -3.488 0.000 +ATOM 31 CB PRO 17 8.479 -10.221 -3.204 0.000 +ATOM 32 CA PRO 18 10.271 -6.091 -3.612 0.000 +ATOM 33 CB PRO 18 11.525 -6.513 -3.852 0.000 +ATOM 34 CA PRO 19 7.986 -3.939 -5.754 0.000 +ATOM 35 CB PRO 19 7.914 -3.117 -4.692 0.000 +ATOM 36 CA SER 20 10.796 -2.937 -8.108 0.000 +ATOM 37 CB SER 20 11.831 -2.994 -7.609 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