X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40015.pdb;fp=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40015.pdb;h=428f70cb849968bb1014210844b48b2e1ccd28be;hp=6a970e5c807825a4fe048335eac9d82193cc3f3d;hb=eaf9ca9f0a81ea1952cfd9db5435374f931fa8ef;hpb=9becba72a2b2a3171746bbddc5159bfc60a51ae5 diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@015.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@015.pdb index 6a970e5..428f70c 100644 --- a/examples/unres/CSA/4P/outputs/1l2y_csa@015.pdb +++ b/examples/unres/CSA/4P/outputs/1l2y_csa@015.pdb @@ -1,43 +1,42 @@ -REMARK GM 15 e 287322 m 1047 ENERGY -1.67919E+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 15 e 595021 m 2319 ENERGY -1.65721E+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 4.242 1.460 0.714 0.000 -ATOM 3 CA LEU 2 4.040 -3.792 0.000 0.000 -ATOM 4 CB LEU 2 3.528 -5.498 0.767 0.000 -ATOM 5 CA TYR 3 5.109 -5.329 -3.307 0.000 -ATOM 6 CB TYR 3 7.547 -4.891 -3.494 0.000 -ATOM 7 CA ILE 4 5.848 -8.692 -1.698 0.000 -ATOM 8 CB ILE 4 7.512 -9.235 -1.401 0.000 -ATOM 9 CA GLN 5 2.199 -9.755 -1.715 0.000 -ATOM 10 CB GLN 5 0.286 -8.850 -0.981 0.000 -ATOM 11 CA TRP 6 1.323 -7.217 -4.405 0.000 -ATOM 12 CB TRP 6 3.003 -9.133 -4.947 0.000 -ATOM 13 CA LEU 7 -0.148 -4.744 -1.922 0.000 -ATOM 14 CB LEU 7 -0.824 -3.978 -0.275 0.000 -ATOM 15 CA LYS 8 1.002 -1.780 -4.003 0.000 -ATOM 16 CB LYS 8 3.491 -1.583 -3.531 0.000 -ATOM 17 CA ASP 9 -1.230 -2.713 -6.933 0.000 -ATOM 18 CB ASP 9 -1.667 -4.245 -6.314 0.000 -ATOM 19 CA GLY 10 -4.203 -0.831 -5.498 0.000 -ATOM 20 CA GLY 11 -5.600 -3.839 -3.644 0.000 -ATOM 21 CA PRO 12 -3.814 -6.900 -2.273 0.000 -ATOM 22 CB PRO 12 -4.913 -6.907 -1.497 0.000 -ATOM 23 CA SER 13 -2.064 -9.098 -4.831 0.000 -ATOM 24 CB SER 13 -1.589 -8.681 -5.792 0.000 -ATOM 25 CA SER 14 -0.164 -12.340 -4.268 0.000 -ATOM 26 CB SER 14 -0.845 -13.267 -4.301 0.000 -ATOM 27 CA GLY 15 2.409 -13.616 -6.757 0.000 -ATOM 28 CA ARG 16 1.548 -15.040 -10.174 0.000 -ATOM 29 CB ARG 16 2.061 -17.920 -10.925 0.000 -ATOM 30 CA PRO 17 -1.743 -16.653 -11.176 0.000 -ATOM 31 CB PRO 17 -1.430 -15.996 -12.307 0.000 -ATOM 32 CA PRO 18 -2.263 -20.308 -10.276 0.000 -ATOM 33 CB PRO 18 -3.425 -19.855 -9.773 0.000 -ATOM 34 CA PRO 19 -2.263 -22.849 -13.102 0.000 -ATOM 35 CB PRO 19 -1.001 -22.987 -12.660 0.000 -ATOM 36 CA SER 20 -5.498 -24.729 -13.768 0.000 -ATOM 37 CB SER 20 -5.800 -24.692 -14.877 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 4.119 -5.628 0.619 0.000 +ATOM 5 CA TYR 3 1.491 -4.114 -2.801 0.000 +ATOM 6 CB TYR 3 2.986 -2.809 -4.295 0.000 +ATOM 7 CA ILE 4 2.563 -7.671 -3.599 0.000 +ATOM 8 CB ILE 4 4.114 -7.987 -4.404 0.000 +ATOM 9 CA GLN 5 1.115 -8.975 -0.337 0.000 +ATOM 10 CB GLN 5 0.429 -8.466 1.734 0.000 +ATOM 11 CA TRP 6 -1.995 -6.836 -0.776 0.000 +ATOM 12 CB TRP 6 -4.463 -6.629 0.031 0.000 +ATOM 13 CA LEU 7 -2.367 -7.899 -4.406 0.000 +ATOM 14 CB LEU 7 -1.567 -6.315 -5.189 0.000 +ATOM 15 CA LYS 8 -1.746 -11.536 -3.498 0.000 +ATOM 16 CB LYS 8 0.709 -11.817 -4.089 0.000 +ATOM 17 CA ASP 9 -4.415 -11.428 -0.795 0.000 +ATOM 18 CB ASP 9 -3.768 -10.632 0.571 0.000 +ATOM 19 CA GLY 10 -7.251 -11.177 -3.313 0.000 +ATOM 20 CA GLY 11 -5.678 -13.509 -5.867 0.000 +ATOM 21 CA PRO 12 -5.442 -17.295 -6.095 0.000 +ATOM 22 CB PRO 12 -4.450 -17.136 -6.989 0.000 +ATOM 23 CA SER 13 -3.834 -17.588 -2.664 0.000 +ATOM 24 CB SER 13 -2.764 -17.220 -2.868 0.000 +ATOM 25 CA SER 14 -6.961 -16.365 -0.884 0.000 +ATOM 26 CB SER 14 -7.355 -15.360 -1.282 0.000 +ATOM 27 CA GLY 15 -9.257 -18.652 -2.869 0.000 +ATOM 28 CA ARG 16 -7.270 -21.805 -2.129 0.000 +ATOM 29 CB ARG 16 -4.998 -20.843 -3.869 0.000 +ATOM 30 CA PRO 17 -7.024 -23.092 1.438 0.000 +ATOM 31 CB PRO 17 -6.983 -24.233 0.728 0.000 +ATOM 32 CA PRO 18 -4.689 -21.314 3.853 0.000 +ATOM 33 CB PRO 18 -5.708 -20.563 4.310 0.000 +ATOM 34 CA PRO 19 -4.268 -24.389 6.045 0.000 +ATOM 35 CB PRO 19 -4.955 -25.060 5.103 0.000 +ATOM 36 CA SER 20 -0.611 -24.817 5.103 0.000 +ATOM 37 CB SER 20 -0.416 -25.178 4.029 0.000 TER CONECT 1 3 2 CONECT 3 5 4