X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40020.pdb;fp=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40020.pdb;h=6f427cbdb9a4667ce14ee90e65141529617210ff;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@020.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@020.pdb new file mode 100644 index 0000000..6f427cb --- /dev/null +++ b/examples/unres/CSA/4P/outputs/1l2y_csa@020.pdb @@ -0,0 +1,61 @@ +REMARK GM 20 e 1060462 m 4185 ENERGY -2.08742E+02 +HELIX 1 H1 TYR 3 ASP 9 1 6 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.287 1.405 0.791 0.000 +ATOM 3 CA LEU 2 4.039 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 5.378 -4.629 1.126 0.000 +ATOM 5 CA TYR 3 1.497 -4.120 -2.805 0.000 +ATOM 6 CB TYR 3 -0.449 -3.101 -3.966 0.000 +ATOM 7 CA ILE 4 2.621 -7.655 -3.628 0.000 +ATOM 8 CB ILE 4 4.104 -7.924 -2.689 0.000 +ATOM 9 CA GLN 5 0.654 -9.117 -0.724 0.000 +ATOM 10 CB GLN 5 1.895 -8.992 1.137 0.000 +ATOM 11 CA TRP 6 -2.344 -6.928 -1.535 0.000 +ATOM 12 CB TRP 6 -3.565 -4.628 -1.611 0.000 +ATOM 13 CA LEU 7 -2.250 -7.908 -5.206 0.000 +ATOM 14 CB LEU 7 -2.466 -6.465 -6.483 0.000 +ATOM 15 CA LYS 8 -1.759 -11.572 -4.327 0.000 +ATOM 16 CB LYS 8 -0.734 -11.703 -2.005 0.000 +ATOM 17 CA ASP 9 -5.072 -11.689 -2.468 0.000 +ATOM 18 CB ASP 9 -6.064 -10.302 -2.364 0.000 +ATOM 19 CA GLY 10 -7.050 -12.440 -5.625 0.000 +ATOM 20 CA GLY 11 -4.458 -14.793 -7.104 0.000 +ATOM 21 CA PRO 12 -3.484 -18.340 -6.151 0.000 +ATOM 22 CB PRO 12 -2.470 -18.206 -7.025 0.000 +ATOM 23 CA SER 13 -2.262 -17.292 -2.709 0.000 +ATOM 24 CB SER 13 -1.946 -16.187 -2.674 0.000 +ATOM 25 CA SER 14 -5.740 -16.323 -1.523 0.000 +ATOM 26 CB SER 14 -6.086 -15.451 -2.188 0.000 +ATOM 27 CA GLY 15 -7.421 -19.287 -3.204 0.000 +ATOM 28 CA ARG 16 -5.441 -21.906 -1.291 0.000 +ATOM 29 CB ARG 16 -3.043 -21.042 0.329 0.000 +ATOM 30 CA PRO 17 -5.876 -22.367 2.456 0.000 +ATOM 31 CB PRO 17 -6.073 -23.629 2.037 0.000 +ATOM 32 CA PRO 18 -3.701 -20.237 4.731 0.000 +ATOM 33 CB PRO 18 -4.857 -20.016 5.380 0.000 +ATOM 34 CA PRO 19 -0.849 -21.936 6.581 0.000 +ATOM 35 CB PRO 19 -0.021 -21.223 5.796 0.000 +ATOM 36 CA SER 20 -1.557 -20.068 9.814 0.000 +ATOM 37 CB SER 20 -1.787 -18.945 9.724 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