X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40006.pdb;fp=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40006.pdb;h=a51a00e75105f93c25e0f80f5d7cab0c88364d4f;hp=176574372c85fdfac2327eedad6de7f631f86f63;hb=eaf9ca9f0a81ea1952cfd9db5435374f931fa8ef;hpb=9becba72a2b2a3171746bbddc5159bfc60a51ae5 diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@006.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@006.pdb index 1765743..a51a00e 100644 --- a/examples/unres/CSA/4P/outputs/1l2y_csa@006.pdb +++ b/examples/unres/CSA/4P/outputs/1l2y_csa@006.pdb @@ -1,41 +1,43 @@ -REMARK GM 6 e 8133 m 26 ENERGY -1.17988E+02 +REMARK GM 6 e 12306 m 39 ENERGY -1.25955E+02 +SHEET 1 B1 2 LEU 2 ILE 4 0 +SHEET 2 B1 2 LEU 7 ASP 9 -1 N ASP 9 O LEU 2 ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 4.248 1.444 0.741 0.000 -ATOM 3 CA LEU 2 4.039 -3.792 0.000 0.000 -ATOM 4 CB LEU 2 4.943 -5.427 0.521 0.000 -ATOM 5 CA TYR 3 0.948 -5.674 -1.160 0.000 -ATOM 6 CB TYR 3 0.869 -5.063 -3.567 0.000 -ATOM 7 CA ILE 4 0.259 -9.411 -1.162 0.000 -ATOM 8 CB ILE 4 -1.005 -10.204 -0.199 0.000 -ATOM 9 CA GLN 5 2.162 -10.028 -4.393 0.000 -ATOM 10 CB GLN 5 2.051 -8.470 -5.998 0.000 -ATOM 11 CA TRP 6 5.477 -9.129 -2.769 0.000 -ATOM 12 CB TRP 6 4.916 -6.756 -3.685 0.000 -ATOM 13 CA LEU 7 6.984 -11.058 0.137 0.000 -ATOM 14 CB LEU 7 8.349 -12.389 0.494 0.000 -ATOM 15 CA LYS 8 6.025 -10.290 3.733 0.000 -ATOM 16 CB LYS 8 3.689 -9.375 3.330 0.000 -ATOM 17 CA ASP 9 7.923 -11.204 6.896 0.000 -ATOM 18 CB ASP 9 7.604 -9.982 8.048 0.000 -ATOM 19 CA GLY 10 6.743 -13.932 9.263 0.000 -ATOM 20 CA GLY 11 4.045 -11.828 10.917 0.000 -ATOM 21 CA PRO 12 0.998 -12.548 13.070 0.000 -ATOM 22 CB PRO 12 0.300 -11.453 12.718 0.000 -ATOM 23 CA SER 13 -1.682 -14.777 11.557 0.000 -ATOM 24 CB SER 13 -1.680 -15.822 12.037 0.000 -ATOM 25 CA SER 14 -5.442 -14.248 11.720 0.000 -ATOM 26 CB SER 14 -6.080 -13.385 11.309 0.000 -ATOM 27 CA GLY 15 -8.120 -16.943 11.671 0.000 -ATOM 28 CA ARG 16 -11.841 -16.352 11.181 0.000 -ATOM 29 CB ARG 16 -10.609 -13.615 10.847 0.000 -ATOM 30 CA PRO 17 -14.660 -18.865 10.755 0.000 -ATOM 31 CB PRO 17 -15.242 -17.965 11.568 0.000 -ATOM 32 CA PRO 18 -15.502 -20.022 7.235 0.000 -ATOM 33 CB PRO 18 -15.429 -21.241 7.797 0.000 -ATOM 34 CA PRO 19 -18.740 -18.783 5.678 0.000 -ATOM 35 CB PRO 19 -17.904 -17.809 5.276 0.000 -ATOM 36 CA SER 20 -21.061 -21.348 4.105 0.000 -ATOM 37 CB SER 20 -20.919 -21.551 2.982 0.000 +ATOM 2 CB ASN 1 3.966 1.674 0.078 0.000 +ATOM 3 CA LEU 2 5.593 -3.350 0.000 0.000 +ATOM 4 CB LEU 2 5.347 -3.575 -1.910 0.000 +ATOM 5 CA TYR 3 7.437 -4.772 3.003 0.000 +ATOM 6 CB TYR 3 8.273 -4.438 5.318 0.000 +ATOM 7 CA ILE 4 9.812 -7.737 3.111 0.000 +ATOM 8 CB ILE 4 10.143 -7.936 1.377 0.000 +ATOM 9 CA GLN 5 10.319 -9.426 6.477 0.000 +ATOM 10 CB GLN 5 12.494 -9.841 6.813 0.000 +ATOM 11 CA TRP 6 11.569 -6.164 7.971 0.000 +ATOM 12 CB TRP 6 12.431 -5.702 10.386 0.000 +ATOM 13 CA LEU 7 12.545 -4.810 4.557 0.000 +ATOM 14 CB LEU 7 13.958 -6.060 4.108 0.000 +ATOM 15 CA LYS 8 10.401 -2.350 2.610 0.000 +ATOM 16 CB LYS 8 11.107 -0.416 4.099 0.000 +ATOM 17 CA ASP 9 9.789 -2.295 -1.140 0.000 +ATOM 18 CB ASP 9 9.587 -3.927 -1.606 0.000 +ATOM 19 CA GLY 10 9.431 1.012 -2.977 0.000 +ATOM 20 CA GLY 11 6.570 3.501 -2.739 0.000 +ATOM 21 CA PRO 12 5.458 6.497 -4.797 0.000 +ATOM 22 CB PRO 12 4.376 6.328 -4.015 0.000 +ATOM 23 CA SER 13 7.993 9.248 -5.465 0.000 +ATOM 24 CB SER 13 8.384 9.196 -6.545 0.000 +ATOM 25 CA SER 14 7.368 12.995 -5.407 0.000 +ATOM 26 CB SER 14 7.016 13.579 -4.481 0.000 +ATOM 27 CA GLY 15 9.247 15.631 -7.397 0.000 +ATOM 28 CA ARG 16 9.042 19.390 -6.879 0.000 +ATOM 29 CB ARG 16 10.275 21.073 -4.696 0.000 +ATOM 30 CA PRO 17 11.079 22.158 -8.500 0.000 +ATOM 31 CB PRO 17 9.835 22.657 -8.618 0.000 +ATOM 32 CA PRO 18 14.238 23.301 -6.725 0.000 +ATOM 33 CB PRO 18 14.792 23.133 -7.939 0.000 +ATOM 34 CA PRO 19 14.233 26.739 -5.106 0.000 +ATOM 35 CB PRO 19 13.954 25.973 -4.037 0.000 +ATOM 36 CA SER 20 16.736 29.295 -6.388 0.000 +ATOM 37 CB SER 20 16.219 29.960 -7.171 0.000 TER CONECT 1 3 2 CONECT 3 5 4