X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40050.pdb;fp=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40050.pdb;h=93b3c0baa3ca1625ecf51beeb6d405c80298eb12;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@050.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@050.pdb new file mode 100644 index 0000000..93b3c0b --- /dev/null +++ b/examples/unres/CSA/4P/outputs/1l2y_csa@050.pdb @@ -0,0 +1,63 @@ +REMARK GM 50 e 5859169 m 25807 ENERGY -2.13656E+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 5.296 -4.667 1.191 0.000 +ATOM 5 CA TYR 3 1.571 -4.116 -2.870 0.000 +ATOM 6 CB TYR 3 -0.322 -3.076 -4.096 0.000 +ATOM 7 CA ILE 4 2.692 -7.664 -3.640 0.000 +ATOM 8 CB ILE 4 4.164 -7.933 -2.683 0.000 +ATOM 9 CA GLN 5 0.686 -9.086 -0.743 0.000 +ATOM 10 CB GLN 5 2.108 -9.554 0.923 0.000 +ATOM 11 CA TRP 6 -2.282 -6.872 -1.599 0.000 +ATOM 12 CB TRP 6 -3.349 -4.498 -1.708 0.000 +ATOM 13 CA LEU 7 -2.154 -7.880 -5.261 0.000 +ATOM 14 CB LEU 7 -2.389 -6.456 -6.556 0.000 +ATOM 15 CA LYS 8 -1.533 -11.514 -4.342 0.000 +ATOM 16 CB LYS 8 -1.076 -11.760 -1.855 0.000 +ATOM 17 CA ASP 9 -4.756 -11.687 -2.335 0.000 +ATOM 18 CB ASP 9 -6.170 -11.737 -1.377 0.000 +ATOM 19 CA GLY 10 -6.945 -11.722 -5.441 0.000 +ATOM 20 CA GLY 11 -8.699 -14.672 -7.072 0.000 +ATOM 21 CA PRO 12 -7.896 -18.338 -6.477 0.000 +ATOM 22 CB PRO 12 -8.569 -18.825 -7.535 0.000 +ATOM 23 CA SER 13 -4.549 -19.254 -8.026 0.000 +ATOM 24 CB SER 13 -4.443 -20.328 -8.422 0.000 +ATOM 25 CA SER 14 -5.679 -17.753 -11.329 0.000 +ATOM 26 CB SER 14 -6.819 -17.629 -11.415 0.000 +ATOM 27 CA GLY 15 -5.065 -14.246 -10.002 0.000 +ATOM 28 CA ARG 16 -3.755 -14.911 -6.498 0.000 +ATOM 29 CB ARG 16 -1.319 -14.110 -8.093 0.000 +ATOM 30 CA PRO 17 -5.569 -16.202 -3.418 0.000 +ATOM 31 CB PRO 17 -4.565 -15.583 -2.772 0.000 +ATOM 32 CA PRO 18 -8.973 -14.818 -2.449 0.000 +ATOM 33 CB PRO 18 -9.425 -15.848 -3.187 0.000 +ATOM 34 CA PRO 19 -9.860 -14.552 1.236 0.000 +ATOM 35 CB PRO 19 -10.227 -13.300 0.908 0.000 +ATOM 36 CA SER 20 -12.579 -17.194 0.981 0.000 +ATOM 37 CB SER 20 -13.220 -17.176 0.026 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