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%40028.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Frestrained%2Foutputs%2F1l2y_csa%40028.pdb;h=ecdcedb44d7bb7097303ea7380daccaf609d035c;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@028.pdb b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@028.pdb new file mode 100644 index 0000000..ecdcedb --- /dev/null +++ b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@028.pdb @@ -0,0 +1,61 @@ +REMARK GM 28 e 1480855 m 4701 ENERGY -8.93250E+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 0.372 0.125 0.000 +ATOM 3 CA LEU 2 4.059 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.804 -5.640 -0.526 0.000 +ATOM 5 CA TYR 3 6.137 -3.731 -3.181 0.000 +ATOM 6 CB TYR 3 5.781 -1.308 -3.598 0.000 +ATOM 7 CA ILE 4 9.333 -3.271 -1.178 0.000 +ATOM 8 CB ILE 4 10.107 -1.693 -0.923 0.000 +ATOM 9 CA GLN 5 8.220 -5.955 1.271 0.000 +ATOM 10 CB GLN 5 7.124 -4.504 2.579 0.000 +ATOM 11 CA TRP 6 7.140 -8.164 -1.626 0.000 +ATOM 12 CB TRP 6 6.715 -10.213 -3.177 0.000 +ATOM 13 CA LEU 7 10.280 -7.324 -3.593 0.000 +ATOM 14 CB LEU 7 9.237 -6.275 -4.847 0.000 +ATOM 15 CA LYS 8 12.459 -8.246 -0.620 0.000 +ATOM 16 CB LYS 8 13.147 -5.855 -0.106 0.000 +ATOM 17 CA ASP 9 10.133 -11.060 0.434 0.000 +ATOM 18 CB ASP 9 9.115 -9.939 1.226 0.000 +ATOM 19 CA GLY 10 10.803 -13.021 -2.751 0.000 +ATOM 20 CA GLY 11 9.810 -11.611 -6.137 0.000 +ATOM 21 CA PRO 12 6.634 -10.927 -8.108 0.000 +ATOM 22 CB PRO 12 6.934 -11.683 -9.179 0.000 +ATOM 23 CA SER 13 4.162 -13.668 -7.207 0.000 +ATOM 24 CB SER 13 3.662 -14.210 -8.090 0.000 +ATOM 25 CA SER 14 6.984 -16.154 -6.662 0.000 +ATOM 26 CB SER 14 7.993 -15.643 -6.869 0.000 +ATOM 27 CA GLY 15 7.072 -15.482 -2.922 0.000 +ATOM 28 CA ARG 16 4.462 -13.365 -1.150 0.000 +ATOM 29 CB ARG 16 5.000 -10.843 0.423 0.000 +ATOM 30 CA PRO 17 1.833 -11.221 -2.861 0.000 +ATOM 31 CB PRO 17 1.377 -11.049 -1.608 0.000 +ATOM 32 CA PRO 18 2.874 -8.086 -4.739 0.000 +ATOM 33 CB PRO 18 3.212 -9.027 -5.638 0.000 +ATOM 34 CA PRO 19 0.793 -4.961 -5.323 0.000 +ATOM 35 CB PRO 19 1.471 -4.149 -4.491 0.000 +ATOM 36 CA SER 20 3.236 -3.518 -7.850 0.000 +ATOM 37 CB SER 20 4.299 -3.429 -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