X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2FCSA%2Foutput%2F1l2y_csa%40014.pdb;fp=examples%2Funres%2FCSA%2F4P%2FCSA%2Foutput%2F1l2y_csa%40014.pdb;h=194750eb912c35b0f91f130ba7094f130eb15291;hb=6c23f8d4f1fe8f0479fb8c6b16ff17e6c59c03d2;hp=0000000000000000000000000000000000000000;hpb=c6cc12f77df252d56c9480ce4822c58fc8981c32;p=unres.git diff --git a/examples/unres/CSA/4P/CSA/output/1l2y_csa@014.pdb b/examples/unres/CSA/4P/CSA/output/1l2y_csa@014.pdb new file mode 100644 index 0000000..194750e --- /dev/null +++ b/examples/unres/CSA/4P/CSA/output/1l2y_csa@014.pdb @@ -0,0 +1,62 @@ +REMARK GM 14 e 260529 m 939 ENERGY -1.66896E+02 +SHEET 1 B1 2 ASN 1 TYR 3 0 +SHEET 2 B1 2 TRP 6 LYS 8 -1 N LYS 8 O ASN 1 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.242 1.460 0.713 0.000 +ATOM 3 CA LEU 2 4.040 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 3.528 -5.498 0.766 0.000 +ATOM 5 CA TYR 3 5.109 -5.331 -3.306 0.000 +ATOM 6 CB TYR 3 7.547 -4.894 -3.492 0.000 +ATOM 7 CA ILE 4 5.846 -8.694 -1.696 0.000 +ATOM 8 CB ILE 4 7.511 -9.237 -1.400 0.000 +ATOM 9 CA GLN 5 2.197 -9.755 -1.712 0.000 +ATOM 10 CB GLN 5 0.284 -8.847 -0.981 0.000 +ATOM 11 CA TRP 6 1.322 -7.219 -4.403 0.000 +ATOM 12 CB TRP 6 3.000 -9.136 -4.945 0.000 +ATOM 13 CA LEU 7 -0.148 -4.743 -1.923 0.000 +ATOM 14 CB LEU 7 -0.824 -3.975 -0.276 0.000 +ATOM 15 CA LYS 8 1.005 -1.781 -4.005 0.000 +ATOM 16 CB LYS 8 3.493 -1.582 -3.533 0.000 +ATOM 17 CA ASP 9 -1.225 -2.716 -6.937 0.000 +ATOM 18 CB ASP 9 -1.662 -4.248 -6.318 0.000 +ATOM 19 CA GLY 10 -4.199 -0.831 -5.506 0.000 +ATOM 20 CA GLY 11 -5.598 -3.837 -3.650 0.000 +ATOM 21 CA PRO 12 -3.816 -6.898 -2.272 0.000 +ATOM 22 CB PRO 12 -4.916 -6.902 -1.498 0.000 +ATOM 23 CA SER 13 -2.066 -9.099 -4.828 0.000 +ATOM 24 CB SER 13 -1.591 -8.683 -5.789 0.000 +ATOM 25 CA SER 14 -0.168 -12.341 -4.261 0.000 +ATOM 26 CB SER 14 -0.850 -13.267 -4.291 0.000 +ATOM 27 CA GLY 15 2.401 -13.622 -6.751 0.000 +ATOM 28 CA ARG 16 1.533 -15.054 -10.162 0.000 +ATOM 29 CB ARG 16 2.054 -17.929 -10.924 0.000 +ATOM 30 CA PRO 17 -1.760 -16.670 -11.154 0.000 +ATOM 31 CB PRO 17 -1.447 -16.018 -12.288 0.000 +ATOM 32 CA PRO 18 -2.277 -20.323 -10.245 0.000 +ATOM 33 CB PRO 18 -3.438 -19.868 -9.741 0.000 +ATOM 34 CA PRO 19 -2.280 -22.871 -13.063 0.000 +ATOM 35 CB PRO 19 -1.012 -22.999 -12.631 0.000 +ATOM 36 CA SER 20 -5.511 -24.763 -13.713 0.000 +ATOM 37 CB SER 20 -5.729 -25.049 -14.805 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