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%40030.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Frestrained%2Foutputs%2F1l2y_csa%40030.pdb;h=ca77b183d0b14d6880db0691e8b27ea67adb1c04;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@030.pdb b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@030.pdb new file mode 100644 index 0000000..ca77b18 --- /dev/null +++ b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@030.pdb @@ -0,0 +1,61 @@ +REMARK GM 30 e 1655427 m 5325 ENERGY -8.93252E+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 5.438 0.371 0.122 0.000 +ATOM 3 CA LEU 2 4.059 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.806 -5.640 -0.526 0.000 +ATOM 5 CA TYR 3 6.138 -3.730 -3.181 0.000 +ATOM 6 CB TYR 3 5.780 -1.308 -3.600 0.000 +ATOM 7 CA ILE 4 9.333 -3.266 -1.177 0.000 +ATOM 8 CB ILE 4 10.111 -1.689 -0.926 0.000 +ATOM 9 CA GLN 5 8.221 -5.950 1.274 0.000 +ATOM 10 CB GLN 5 7.122 -4.501 2.581 0.000 +ATOM 11 CA TRP 6 7.144 -8.161 -1.623 0.000 +ATOM 12 CB TRP 6 6.722 -10.212 -3.173 0.000 +ATOM 13 CA LEU 7 10.284 -7.319 -3.589 0.000 +ATOM 14 CB LEU 7 9.242 -6.269 -4.843 0.000 +ATOM 15 CA LYS 8 12.463 -8.239 -0.615 0.000 +ATOM 16 CB LYS 8 13.150 -5.846 -0.103 0.000 +ATOM 17 CA ASP 9 10.139 -11.054 0.439 0.000 +ATOM 18 CB ASP 9 9.120 -9.933 1.231 0.000 +ATOM 19 CA GLY 10 10.813 -13.016 -2.744 0.000 +ATOM 20 CA GLY 11 9.820 -11.608 -6.131 0.000 +ATOM 21 CA PRO 12 6.644 -10.928 -8.104 0.000 +ATOM 22 CB PRO 12 6.945 -11.685 -9.175 0.000 +ATOM 23 CA SER 13 4.174 -13.671 -7.203 0.000 +ATOM 24 CB SER 13 3.675 -14.214 -8.086 0.000 +ATOM 25 CA SER 14 6.998 -16.153 -6.655 0.000 +ATOM 26 CB SER 14 8.007 -15.642 -6.862 0.000 +ATOM 27 CA GLY 15 7.085 -15.480 -2.916 0.000 +ATOM 28 CA ARG 16 4.471 -13.365 -1.146 0.000 +ATOM 29 CB ARG 16 5.005 -10.842 0.426 0.000 +ATOM 30 CA PRO 17 1.841 -11.224 -2.860 0.000 +ATOM 31 CB PRO 17 1.385 -11.052 -1.606 0.000 +ATOM 32 CA PRO 18 2.880 -8.088 -4.738 0.000 +ATOM 33 CB PRO 18 3.219 -9.030 -5.636 0.000 +ATOM 34 CA PRO 19 0.796 -4.966 -5.323 0.000 +ATOM 35 CB PRO 19 1.472 -4.153 -4.492 0.000 +ATOM 36 CA SER 20 3.239 -3.521 -7.850 0.000 +ATOM 37 CB SER 20 4.302 -3.432 -7.421 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