X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40042.pdb;fp=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40042.pdb;h=ea270948b833be220310c9e98e8e652f466aa6b5;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@042.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@042.pdb new file mode 100644 index 0000000..ea27094 --- /dev/null +++ b/examples/unres/CSA/4P/outputs/1l2y_csa@042.pdb @@ -0,0 +1,63 @@ +REMARK GM 42 e 5020620 m 21933 ENERGY -2.13441E+02 +HELIX 1 H1 TYR 3 GLY 10 1 7 +SHEET 1 B1 2 GLY 11 SER 13 0 +SHEET 2 B1 2 ARG 16 PRO 18 -1 N PRO 18 O GLY 11 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.378 0.213 1.567 0.000 +ATOM 3 CA LEU 2 4.041 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 5.298 -4.664 1.192 0.000 +ATOM 5 CA TYR 3 1.580 -4.116 -2.877 0.000 +ATOM 6 CB TYR 3 -0.316 -3.079 -4.102 0.000 +ATOM 7 CA ILE 4 2.708 -7.661 -3.650 0.000 +ATOM 8 CB ILE 4 4.177 -7.927 -2.688 0.000 +ATOM 9 CA GLN 5 0.699 -9.090 -0.758 0.000 +ATOM 10 CB GLN 5 2.101 -9.537 0.931 0.000 +ATOM 11 CA TRP 6 -2.270 -6.879 -1.615 0.000 +ATOM 12 CB TRP 6 -3.342 -4.507 -1.723 0.000 +ATOM 13 CA LEU 7 -2.136 -7.884 -5.277 0.000 +ATOM 14 CB LEU 7 -2.373 -6.458 -6.570 0.000 +ATOM 15 CA LYS 8 -1.509 -11.518 -4.361 0.000 +ATOM 16 CB LYS 8 -1.062 -11.765 -1.872 0.000 +ATOM 17 CA ASP 9 -4.732 -11.697 -2.356 0.000 +ATOM 18 CB ASP 9 -6.155 -11.728 -1.410 0.000 +ATOM 19 CA GLY 10 -6.921 -11.736 -5.461 0.000 +ATOM 20 CA GLY 11 -8.678 -14.688 -7.085 0.000 +ATOM 21 CA PRO 12 -7.873 -18.353 -6.481 0.000 +ATOM 22 CB PRO 12 -8.542 -18.845 -7.539 0.000 +ATOM 23 CA SER 13 -4.528 -19.279 -8.029 0.000 +ATOM 24 CB SER 13 -4.424 -20.355 -8.421 0.000 +ATOM 25 CA SER 14 -5.659 -17.790 -11.338 0.000 +ATOM 26 CB SER 14 -6.799 -17.664 -11.424 0.000 +ATOM 27 CA GLY 15 -5.037 -14.278 -10.026 0.000 +ATOM 28 CA ARG 16 -3.723 -14.925 -6.519 0.000 +ATOM 29 CB ARG 16 -1.289 -14.117 -8.114 0.000 +ATOM 30 CA PRO 17 -5.548 -16.214 -3.446 0.000 +ATOM 31 CB PRO 17 -4.548 -15.593 -2.795 0.000 +ATOM 32 CA PRO 18 -8.955 -14.857 -2.451 0.000 +ATOM 33 CB PRO 18 -9.443 -15.820 -3.254 0.000 +ATOM 34 CA PRO 19 -10.125 -15.096 1.156 0.000 +ATOM 35 CB PRO 19 -9.978 -13.759 1.181 0.000 +ATOM 36 CA SER 20 -13.640 -16.141 0.160 0.000 +ATOM 37 CB SER 20 -14.107 -15.583 -0.731 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