X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=examples%2Funres%2FCSA%2F4P%2FCSA%2Foutput%2F1l2y_csa%40019.pdb;fp=examples%2Funres%2FCSA%2F4P%2FCSA%2Foutput%2F1l2y_csa%40019.pdb;h=120bb4cb08924eedf4c9594f6816a7a4e764e796;hb=c5370e6422f68c03f5801e5e8b127a5ba478695b;hp=0000000000000000000000000000000000000000;hpb=866c6bb3445c32af6d43b6eea1c565ae7d78e7f2;p=unres.git diff --git a/examples/unres/CSA/4P/CSA/output/1l2y_csa@019.pdb b/examples/unres/CSA/4P/CSA/output/1l2y_csa@019.pdb new file mode 100644 index 0000000..120bb4c --- /dev/null +++ b/examples/unres/CSA/4P/CSA/output/1l2y_csa@019.pdb @@ -0,0 +1,62 @@ +REMARK GM 19 e 602498 m 2226 ENERGY -1.76354E+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 4.243 1.470 0.691 0.000 +ATOM 3 CA LEU 2 4.040 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 4.244 -5.684 0.377 0.000 +ATOM 5 CA TYR 3 1.494 -4.124 -2.801 0.000 +ATOM 6 CB TYR 3 1.991 -3.310 -5.095 0.000 +ATOM 7 CA ILE 4 2.763 -7.547 -3.858 0.000 +ATOM 8 CB ILE 4 3.997 -7.782 -5.114 0.000 +ATOM 9 CA GLN 5 0.634 -9.348 -1.278 0.000 +ATOM 10 CB GLN 5 0.888 -9.053 0.928 0.000 +ATOM 11 CA TRP 6 -1.174 -6.118 -0.419 0.000 +ATOM 12 CB TRP 6 -1.847 -5.570 -2.875 0.000 +ATOM 13 CA LEU 7 0.558 -4.646 2.626 0.000 +ATOM 14 CB LEU 7 1.744 -4.411 4.142 0.000 +ATOM 15 CA LYS 8 -1.115 -1.272 2.117 0.000 +ATOM 16 CB LYS 8 0.212 -0.889 -0.016 0.000 +ATOM 17 CA ASP 9 -4.470 -2.466 3.442 0.000 +ATOM 18 CB ASP 9 -4.218 -4.153 3.550 0.000 +ATOM 19 CA GLY 10 -3.424 -1.987 7.064 0.000 +ATOM 20 CA GLY 11 -2.330 -5.598 7.521 0.000 +ATOM 21 CA PRO 12 -1.199 -7.980 4.785 0.000 +ATOM 22 CB PRO 12 -0.849 -8.690 5.873 0.000 +ATOM 23 CA SER 13 -3.543 -8.352 1.817 0.000 +ATOM 24 CB SER 13 -4.015 -7.538 1.156 0.000 +ATOM 25 CA SER 14 -3.449 -10.969 -0.937 0.000 +ATOM 26 CB SER 14 -4.055 -11.911 -0.676 0.000 +ATOM 27 CA GLY 15 -5.044 -10.374 -4.334 0.000 +ATOM 28 CA ARG 16 -8.789 -10.305 -4.974 0.000 +ATOM 29 CB ARG 16 -10.139 -12.540 -6.492 0.000 +ATOM 30 CA PRO 17 -11.465 -12.014 -2.886 0.000 +ATOM 31 CB PRO 17 -12.089 -10.864 -3.197 0.000 +ATOM 32 CA PRO 18 -12.140 -15.692 -3.559 0.000 +ATOM 33 CB PRO 18 -11.968 -15.785 -2.229 0.000 +ATOM 34 CA PRO 19 -15.378 -16.606 -5.325 0.000 +ATOM 35 CB PRO 19 -14.599 -16.946 -6.367 0.000 +ATOM 36 CA SER 20 -16.110 -19.464 -2.930 0.000 +ATOM 37 CB SER 20 -15.199 -20.094 -2.621 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