X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40051.pdb;fp=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40051.pdb;h=5dbda042b9b244e17498063a8ba640230d9e0abe;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@051.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@051.pdb new file mode 100644 index 0000000..5dbda04 --- /dev/null +++ b/examples/unres/CSA/4P/outputs/1l2y_csa@051.pdb @@ -0,0 +1,63 @@ +REMARK GM 51 e 6331921 m 28019 ENERGY -2.13657E+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 5.297 -4.666 1.191 0.000 +ATOM 5 CA TYR 3 1.575 -4.116 -2.873 0.000 +ATOM 6 CB TYR 3 -0.321 -3.079 -4.098 0.000 +ATOM 7 CA ILE 4 2.698 -7.664 -3.643 0.000 +ATOM 8 CB ILE 4 4.171 -7.930 -2.686 0.000 +ATOM 9 CA GLN 5 0.688 -9.087 -0.749 0.000 +ATOM 10 CB GLN 5 2.114 -9.560 0.913 0.000 +ATOM 11 CA TRP 6 -2.279 -6.874 -1.609 0.000 +ATOM 12 CB TRP 6 -3.350 -4.502 -1.716 0.000 +ATOM 13 CA LEU 7 -2.146 -7.882 -5.270 0.000 +ATOM 14 CB LEU 7 -2.385 -6.457 -6.563 0.000 +ATOM 15 CA LYS 8 -1.526 -11.516 -4.350 0.000 +ATOM 16 CB LYS 8 -1.072 -11.761 -1.862 0.000 +ATOM 17 CA ASP 9 -4.750 -11.689 -2.347 0.000 +ATOM 18 CB ASP 9 -6.164 -11.749 -1.390 0.000 +ATOM 19 CA GLY 10 -6.936 -11.725 -5.455 0.000 +ATOM 20 CA GLY 11 -8.685 -14.674 -7.092 0.000 +ATOM 21 CA PRO 12 -7.880 -18.341 -6.500 0.000 +ATOM 22 CB PRO 12 -8.550 -18.827 -7.559 0.000 +ATOM 23 CA SER 13 -4.529 -19.252 -8.043 0.000 +ATOM 24 CB SER 13 -4.421 -20.326 -8.440 0.000 +ATOM 25 CA SER 14 -5.655 -17.750 -11.347 0.000 +ATOM 26 CB SER 14 -6.795 -17.627 -11.435 0.000 +ATOM 27 CA GLY 15 -5.046 -14.243 -10.017 0.000 +ATOM 28 CA ARG 16 -3.742 -14.910 -6.511 0.000 +ATOM 29 CB ARG 16 -1.302 -14.113 -8.103 0.000 +ATOM 30 CA PRO 17 -5.558 -16.206 -3.435 0.000 +ATOM 31 CB PRO 17 -4.555 -15.587 -2.787 0.000 +ATOM 32 CA PRO 18 -8.965 -14.826 -2.469 0.000 +ATOM 33 CB PRO 18 -9.415 -15.855 -3.209 0.000 +ATOM 34 CA PRO 19 -9.859 -14.564 1.215 0.000 +ATOM 35 CB PRO 19 -10.227 -13.312 0.888 0.000 +ATOM 36 CA SER 20 -12.575 -17.208 0.952 0.000 +ATOM 37 CB SER 20 -13.215 -17.189 -0.003 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