X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40017.pdb;fp=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40017.pdb;h=143bfdf4e431617649712dc663bdbee5c637ac39;hp=658846e666dc10825fc40f8b50013acec3174206;hb=eaf9ca9f0a81ea1952cfd9db5435374f931fa8ef;hpb=9becba72a2b2a3171746bbddc5159bfc60a51ae5 diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@017.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@017.pdb index 658846e..143bfdf 100644 --- a/examples/unres/CSA/4P/outputs/1l2y_csa@017.pdb +++ b/examples/unres/CSA/4P/outputs/1l2y_csa@017.pdb @@ -1,43 +1,42 @@ -REMARK GM 17 e 453103 m 1675 ENERGY -1.73128E+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 17 e 696870 m 2732 ENERGY -1.70694E+02 +HELIX 1 H1 LEU 2 GLY 10 1 8 ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 4.243 1.461 0.712 0.000 +ATOM 2 CB ASN 1 4.226 1.473 0.696 0.000 ATOM 3 CA LEU 2 4.040 -3.792 0.000 0.000 -ATOM 4 CB LEU 2 3.516 -5.515 0.720 0.000 -ATOM 5 CA TYR 3 5.109 -5.320 -3.311 0.000 -ATOM 6 CB TYR 3 7.520 -5.160 -3.886 0.000 -ATOM 7 CA ILE 4 5.857 -8.684 -1.709 0.000 -ATOM 8 CB ILE 4 7.510 -9.117 -1.226 0.000 -ATOM 9 CA GLN 5 2.213 -9.761 -1.720 0.000 -ATOM 10 CB GLN 5 0.250 -8.859 -1.128 0.000 -ATOM 11 CA TRP 6 1.333 -7.232 -4.415 0.000 -ATOM 12 CB TRP 6 3.599 -7.612 -5.643 0.000 -ATOM 13 CA LEU 7 -0.166 -4.751 -1.958 0.000 -ATOM 14 CB LEU 7 -0.846 -4.021 -0.295 0.000 -ATOM 15 CA LYS 8 1.005 -1.793 -4.035 0.000 -ATOM 16 CB LYS 8 3.487 -1.617 -3.520 0.000 -ATOM 17 CA ASP 9 -1.161 -2.755 -7.006 0.000 -ATOM 18 CB ASP 9 -1.581 -4.315 -6.448 0.000 -ATOM 19 CA GLY 10 -4.156 -0.840 -5.664 0.000 -ATOM 20 CA GLY 11 -5.585 -3.808 -3.769 0.000 -ATOM 21 CA PRO 12 -3.820 -6.855 -2.342 0.000 -ATOM 22 CB PRO 12 -4.935 -6.857 -1.589 0.000 -ATOM 23 CA SER 13 -2.067 -9.109 -4.849 0.000 -ATOM 24 CB SER 13 -1.523 -8.815 -5.818 0.000 -ATOM 25 CA SER 14 -0.235 -12.371 -4.184 0.000 -ATOM 26 CB SER 14 -0.940 -13.278 -4.142 0.000 -ATOM 27 CA GLY 15 2.197 -13.846 -6.704 0.000 -ATOM 28 CA ARG 16 1.152 -15.380 -10.019 0.000 -ATOM 29 CB ARG 16 1.325 -18.363 -10.463 0.000 -ATOM 30 CA PRO 17 -2.243 -16.882 -10.833 0.000 -ATOM 31 CB PRO 17 -1.956 -16.274 -11.997 0.000 -ATOM 32 CA PRO 18 -2.874 -20.478 -9.779 0.000 -ATOM 33 CB PRO 18 -3.975 -19.937 -9.227 0.000 -ATOM 34 CA PRO 19 -2.977 -23.130 -12.498 0.000 -ATOM 35 CB PRO 19 -1.822 -23.574 -11.971 0.000 -ATOM 36 CA SER 20 -6.082 -24.776 -11.052 0.000 -ATOM 37 CB SER 20 -6.112 -24.850 -9.905 0.000 +ATOM 4 CB LEU 2 3.997 -5.731 -0.011 0.000 +ATOM 5 CA TYR 3 1.417 -4.085 -2.734 0.000 +ATOM 6 CB TYR 3 0.528 -1.775 -2.524 0.000 +ATOM 7 CA ILE 4 3.913 -3.168 -5.450 0.000 +ATOM 8 CB ILE 4 4.131 -1.513 -6.058 0.000 +ATOM 9 CA GLN 5 6.457 -5.653 -4.113 0.000 +ATOM 10 CB GLN 5 7.358 -4.234 -2.632 0.000 +ATOM 11 CA TRP 6 3.742 -8.263 -3.606 0.000 +ATOM 12 CB TRP 6 3.052 -10.723 -3.098 0.000 +ATOM 13 CA LEU 7 2.213 -7.500 -7.000 0.000 +ATOM 14 CB LEU 7 0.732 -6.427 -6.356 0.000 +ATOM 15 CA LYS 8 5.638 -7.550 -8.646 0.000 +ATOM 16 CB LYS 8 6.200 -5.085 -8.897 0.000 +ATOM 17 CA ASP 9 6.484 -10.878 -7.019 0.000 +ATOM 18 CB ASP 9 6.763 -10.547 -5.366 0.000 +ATOM 19 CA GLY 10 3.988 -12.791 -9.152 0.000 +ATOM 20 CA GLY 11 4.563 -10.748 -12.305 0.000 +ATOM 21 CA PRO 12 7.291 -10.818 -14.948 0.000 +ATOM 22 CB PRO 12 6.902 -9.586 -15.322 0.000 +ATOM 23 CA SER 13 10.055 -10.396 -12.375 0.000 +ATOM 24 CB SER 13 9.956 -9.291 -12.071 0.000 +ATOM 25 CA SER 14 9.372 -13.788 -10.805 0.000 +ATOM 26 CB SER 14 8.275 -13.939 -10.492 0.000 +ATOM 27 CA GLY 15 9.206 -15.559 -14.162 0.000 +ATOM 28 CA ARG 16 12.545 -14.219 -15.385 0.000 +ATOM 29 CB ARG 16 11.404 -11.431 -15.603 0.000 +ATOM 30 CA PRO 17 15.753 -15.226 -13.615 0.000 +ATOM 31 CB PRO 17 16.171 -15.075 -14.884 0.000 +ATOM 32 CA PRO 18 16.572 -13.605 -10.277 0.000 +ATOM 33 CB PRO 18 16.014 -14.637 -9.620 0.000 +ATOM 34 CA PRO 19 20.307 -14.190 -10.668 0.000 +ATOM 35 CB PRO 19 20.032 -14.609 -11.916 0.000 +ATOM 36 CA SER 20 21.064 -10.482 -11.007 0.000 +ATOM 37 CB SER 20 20.726 -9.996 -11.993 0.000 TER CONECT 1 3 2 CONECT 3 5 4