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%40033.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Frestrained%2Foutputs%2F1l2y_csa%40033.pdb;h=df416ded08e4a09961bdd47d75306e9c95d16af6;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@033.pdb b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@033.pdb new file mode 100644 index 0000000..df416de --- /dev/null +++ b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@033.pdb @@ -0,0 +1,61 @@ +REMARK GM 33 e 1995503 m 6460 ENERGY -9.06697E+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 5.417 0.449 0.143 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.542 -5.607 -0.448 0.000 +ATOM 5 CA TYR 3 6.088 -3.751 -3.211 0.000 +ATOM 6 CB TYR 3 5.960 -1.303 -3.616 0.000 +ATOM 7 CA ILE 4 9.310 -3.120 -1.297 0.000 +ATOM 8 CB ILE 4 10.008 -1.507 -1.042 0.000 +ATOM 9 CA GLN 5 8.353 -5.733 1.290 0.000 +ATOM 10 CB GLN 5 7.177 -4.209 2.435 0.000 +ATOM 11 CA TRP 6 7.224 -8.073 -1.483 0.000 +ATOM 12 CB TRP 6 5.680 -10.029 -2.243 0.000 +ATOM 13 CA LEU 7 10.287 -7.189 -3.550 0.000 +ATOM 14 CB LEU 7 9.087 -6.518 -4.917 0.000 +ATOM 15 CA LYS 8 12.544 -7.846 -0.564 0.000 +ATOM 16 CB LYS 8 12.955 -5.458 0.198 0.000 +ATOM 17 CA ASP 9 10.772 -11.114 0.226 0.000 +ATOM 18 CB ASP 9 9.379 -10.350 0.855 0.000 +ATOM 19 CA GLY 10 12.507 -12.794 -2.708 0.000 +ATOM 20 CA GLY 11 11.100 -10.921 -5.700 0.000 +ATOM 21 CA PRO 12 7.482 -12.045 -5.414 0.000 +ATOM 22 CB PRO 12 7.006 -10.964 -6.058 0.000 +ATOM 23 CA SER 13 8.449 -15.446 -4.023 0.000 +ATOM 24 CB SER 13 9.574 -15.581 -3.826 0.000 +ATOM 25 CA SER 14 7.468 -14.598 -0.451 0.000 +ATOM 26 CB SER 14 7.216 -13.487 -0.295 0.000 +ATOM 27 CA GLY 15 4.251 -15.812 1.167 0.000 +ATOM 28 CA ARG 16 2.302 -12.643 0.393 0.000 +ATOM 29 CB ARG 16 4.175 -10.418 1.207 0.000 +ATOM 30 CA PRO 17 0.618 -11.537 -2.829 0.000 +ATOM 31 CB PRO 17 0.185 -10.550 -2.025 0.000 +ATOM 32 CA PRO 18 2.781 -10.620 -5.815 0.000 +ATOM 33 CB PRO 18 1.929 -11.424 -6.476 0.000 +ATOM 34 CA PRO 19 3.034 -6.972 -6.851 0.000 +ATOM 35 CB PRO 19 3.801 -6.956 -5.746 0.000 +ATOM 36 CA SER 20 3.203 -6.204 -10.569 0.000 +ATOM 37 CB SER 20 4.271 -6.068 -10.974 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