X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Funrestrained%2Foutputs%2F1l2y_csa%40042.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Funrestrained%2Foutputs%2F1l2y_csa%40042.pdb;h=9ccda219dfbc0ebc93e6c9e1fba15462ef1ef1f6;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@042.pdb b/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@042.pdb new file mode 100644 index 0000000..9ccda21 --- /dev/null +++ b/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@042.pdb @@ -0,0 +1,61 @@ +REMARK GM 42 e 9587567 m 31660 ENERGY -9.25428E+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 5.419 0.441 0.147 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.621 -5.636 -0.407 0.000 +ATOM 5 CA TYR 3 6.086 -3.752 -3.213 0.000 +ATOM 6 CB TYR 3 5.935 -1.303 -3.603 0.000 +ATOM 7 CA ILE 4 9.311 -3.198 -1.281 0.000 +ATOM 8 CB ILE 4 10.018 -1.601 -0.957 0.000 +ATOM 9 CA GLN 5 8.311 -5.855 1.244 0.000 +ATOM 10 CB GLN 5 7.155 -4.392 2.484 0.000 +ATOM 11 CA TRP 6 7.170 -8.126 -1.581 0.000 +ATOM 12 CB TRP 6 5.717 -10.156 -2.322 0.000 +ATOM 13 CA LEU 7 10.251 -7.224 -3.614 0.000 +ATOM 14 CB LEU 7 9.048 -6.603 -5.002 0.000 +ATOM 15 CA LYS 8 12.481 -7.930 -0.619 0.000 +ATOM 16 CB LYS 8 12.919 -5.569 0.211 0.000 +ATOM 17 CA ASP 9 10.719 -11.223 0.082 0.000 +ATOM 18 CB ASP 9 9.267 -10.556 0.689 0.000 +ATOM 19 CA GLY 10 12.555 -12.831 -2.830 0.000 +ATOM 20 CA GLY 11 11.152 -10.914 -5.796 0.000 +ATOM 21 CA PRO 12 7.563 -12.137 -5.548 0.000 +ATOM 22 CB PRO 12 7.037 -11.041 -6.124 0.000 +ATOM 23 CA SER 13 8.620 -15.559 -4.278 0.000 +ATOM 24 CB SER 13 9.748 -15.673 -4.082 0.000 +ATOM 25 CA SER 14 7.599 -14.862 -0.685 0.000 +ATOM 26 CB SER 14 7.253 -13.781 -0.501 0.000 +ATOM 27 CA GLY 15 4.442 -16.406 0.759 0.000 +ATOM 28 CA ARG 16 2.256 -13.382 0.041 0.000 +ATOM 29 CB ARG 16 3.954 -11.044 0.921 0.000 +ATOM 30 CA PRO 17 0.541 -12.215 -3.143 0.000 +ATOM 31 CB PRO 17 0.524 -11.040 -2.489 0.000 +ATOM 32 CA PRO 18 2.843 -10.866 -5.849 0.000 +ATOM 33 CB PRO 18 2.204 -11.794 -6.585 0.000 +ATOM 34 CA PRO 19 2.726 -7.133 -6.548 0.000 +ATOM 35 CB PRO 19 3.658 -7.052 -5.581 0.000 +ATOM 36 CA SER 20 4.018 -7.509 -10.102 0.000 +ATOM 37 CB SER 20 5.064 -7.370 -9.644 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