X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40019.pdb;fp=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40019.pdb;h=59a66ac85fdac33a027853b12289a790600ab0d4;hp=120bb4cb08924eedf4c9594f6816a7a4e764e796;hb=eaf9ca9f0a81ea1952cfd9db5435374f931fa8ef;hpb=9becba72a2b2a3171746bbddc5159bfc60a51ae5 diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@019.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@019.pdb index 120bb4c..59a66ac 100644 --- a/examples/unres/CSA/4P/outputs/1l2y_csa@019.pdb +++ b/examples/unres/CSA/4P/outputs/1l2y_csa@019.pdb @@ -1,43 +1,42 @@ -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 +REMARK GM 19 e 830945 m 3274 ENERGY -1.74018E+02 +HELIX 1 H1 TYR 3 GLY 10 1 7 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 +ATOM 2 CB ASN 1 4.248 1.446 0.738 0.000 +ATOM 3 CA LEU 2 4.039 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 4.115 -5.627 0.622 0.000 +ATOM 5 CA TYR 3 1.466 -4.115 -2.777 0.000 +ATOM 6 CB TYR 3 2.953 -2.819 -4.287 0.000 +ATOM 7 CA ILE 4 2.533 -7.671 -3.587 0.000 +ATOM 8 CB ILE 4 4.076 -8.002 -4.402 0.000 +ATOM 9 CA GLN 5 1.130 -8.976 -0.305 0.000 +ATOM 10 CB GLN 5 0.447 -8.535 1.782 0.000 +ATOM 11 CA TRP 6 -1.989 -6.843 -0.704 0.000 +ATOM 12 CB TRP 6 -4.428 -6.528 0.157 0.000 +ATOM 13 CA LEU 7 -2.424 -7.921 -4.321 0.000 +ATOM 14 CB LEU 7 -1.642 -6.332 -5.111 0.000 +ATOM 15 CA LYS 8 -1.775 -11.555 -3.420 0.000 +ATOM 16 CB LYS 8 0.713 -11.915 -3.793 0.000 +ATOM 17 CA ASP 9 -4.512 -11.511 -0.784 0.000 +ATOM 18 CB ASP 9 -3.897 -10.622 0.540 0.000 +ATOM 19 CA GLY 10 -7.278 -11.752 -3.378 0.000 +ATOM 20 CA GLY 11 -6.123 -15.058 -4.852 0.000 +ATOM 21 CA PRO 12 -7.023 -18.638 -3.947 0.000 +ATOM 22 CB PRO 12 -6.547 -18.925 -5.171 0.000 +ATOM 23 CA SER 13 -5.750 -20.860 -1.139 0.000 +ATOM 24 CB SER 13 -4.890 -20.400 -0.529 0.000 +ATOM 25 CA SER 14 -8.802 -20.165 1.015 0.000 +ATOM 26 CB SER 14 -8.610 -19.938 2.126 0.000 +ATOM 27 CA GLY 15 -8.941 -16.581 -0.240 0.000 +ATOM 28 CA ARG 16 -5.188 -16.064 0.058 0.000 +ATOM 29 CB ARG 16 -2.832 -17.162 1.596 0.000 +ATOM 30 CA PRO 17 -2.401 -17.402 -2.152 0.000 +ATOM 31 CB PRO 17 -2.565 -16.173 -2.672 0.000 +ATOM 32 CA PRO 18 0.014 -19.907 -0.624 0.000 +ATOM 33 CB PRO 18 -0.337 -20.625 -1.705 0.000 +ATOM 34 CA PRO 19 3.519 -18.710 0.225 0.000 +ATOM 35 CB PRO 19 3.195 -18.876 1.520 0.000 +ATOM 36 CA SER 20 5.145 -21.878 -1.103 0.000 +ATOM 37 CB SER 20 4.599 -22.857 -0.848 0.000 TER CONECT 1 3 2 CONECT 3 5 4