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%40035.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Frestrained%2Foutputs%2F1l2y_csa%40035.pdb;h=c535da134ae6e34136a9a98fcb4c788efd2836c7;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@035.pdb b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@035.pdb new file mode 100644 index 0000000..c535da1 --- /dev/null +++ b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@035.pdb @@ -0,0 +1,61 @@ +REMARK GM 35 e 2754518 m 9108 ENERGY -9.22304E+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 5.418 0.445 0.135 0.000 +ATOM 3 CA LEU 2 4.057 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.534 -5.615 -0.398 0.000 +ATOM 5 CA TYR 3 6.126 -3.750 -3.187 0.000 +ATOM 6 CB TYR 3 5.957 -1.312 -3.631 0.000 +ATOM 7 CA ILE 4 9.337 -3.152 -1.243 0.000 +ATOM 8 CB ILE 4 10.038 -1.546 -0.951 0.000 +ATOM 9 CA GLN 5 8.313 -5.726 1.358 0.000 +ATOM 10 CB GLN 5 7.144 -4.178 2.479 0.000 +ATOM 11 CA TRP 6 7.182 -8.080 -1.402 0.000 +ATOM 12 CB TRP 6 5.678 -10.096 -2.081 0.000 +ATOM 13 CA LEU 7 10.273 -7.249 -3.449 0.000 +ATOM 14 CB LEU 7 9.097 -6.724 -4.899 0.000 +ATOM 15 CA LYS 8 12.492 -7.861 -0.426 0.000 +ATOM 16 CB LYS 8 12.937 -5.476 0.329 0.000 +ATOM 17 CA ASP 9 10.711 -11.117 0.391 0.000 +ATOM 18 CB ASP 9 9.281 -10.387 0.976 0.000 +ATOM 19 CA GLY 10 12.518 -12.843 -2.471 0.000 +ATOM 20 CA GLY 11 11.115 -11.038 -5.507 0.000 +ATOM 21 CA PRO 12 7.517 -12.223 -5.208 0.000 +ATOM 22 CB PRO 12 7.000 -11.151 -5.834 0.000 +ATOM 23 CA SER 13 8.543 -15.592 -3.780 0.000 +ATOM 24 CB SER 13 9.669 -15.704 -3.578 0.000 +ATOM 25 CA SER 14 7.521 -14.721 -0.225 0.000 +ATOM 26 CB SER 14 7.216 -13.619 -0.099 0.000 +ATOM 27 CA GLY 15 4.323 -16.048 1.338 0.000 +ATOM 28 CA ARG 16 2.292 -12.928 0.575 0.000 +ATOM 29 CB ARG 16 4.061 -10.591 1.302 0.000 +ATOM 30 CA PRO 17 0.625 -11.793 -2.646 0.000 +ATOM 31 CB PRO 17 0.213 -10.779 -1.864 0.000 +ATOM 32 CA PRO 18 2.806 -10.759 -5.581 0.000 +ATOM 33 CB PRO 18 2.041 -11.652 -6.235 0.000 +ATOM 34 CA PRO 19 2.845 -7.084 -6.546 0.000 +ATOM 35 CB PRO 19 3.736 -7.006 -5.541 0.000 +ATOM 36 CA SER 20 4.471 -7.725 -9.921 0.000 +ATOM 37 CB SER 20 5.565 -8.062 -9.816 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