X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40010.pdb;fp=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40010.pdb;h=00d706a6cb1696c2a864c01c52aa3ea43f897e02;hp=d9edac8fd1a1e9d5e8c679f38f3e1aa298f30cd5;hb=eaf9ca9f0a81ea1952cfd9db5435374f931fa8ef;hpb=9becba72a2b2a3171746bbddc5159bfc60a51ae5 diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@010.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@010.pdb index d9edac8..00d706a 100644 --- a/examples/unres/CSA/4P/outputs/1l2y_csa@010.pdb +++ b/examples/unres/CSA/4P/outputs/1l2y_csa@010.pdb @@ -1,43 +1,41 @@ -REMARK GM 10 e 71275 m 192 ENERGY -1.57303E+02 -SHEET 1 B1 2 TYR 3 TRP 6 0 -SHEET 2 B1 2 PRO 12 GLY 15 1 N PRO 12 O TYR 3 +REMARK GM 10 e 93224 m 282 ENERGY -1.46430E+02 ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 4.230 1.456 0.730 0.000 -ATOM 3 CA LEU 2 4.040 -3.792 0.000 0.000 -ATOM 4 CB LEU 2 4.131 -5.496 0.921 0.000 -ATOM 5 CA TYR 3 1.463 -4.135 -2.771 0.000 -ATOM 6 CB TYR 3 -0.946 -4.111 -3.379 0.000 -ATOM 7 CA ILE 4 1.896 -4.675 -6.508 0.000 -ATOM 8 CB ILE 4 2.455 -6.355 -6.367 0.000 -ATOM 9 CA GLN 5 0.849 -2.280 -9.266 0.000 -ATOM 10 CB GLN 5 2.322 -1.479 -10.751 0.000 -ATOM 11 CA TRP 6 -0.155 -5.153 -11.543 0.000 -ATOM 12 CB TRP 6 2.153 -5.082 -12.749 0.000 -ATOM 13 CA LEU 7 -2.791 -7.730 -10.623 0.000 -ATOM 14 CB LEU 7 -4.715 -7.568 -10.801 0.000 -ATOM 15 CA LYS 8 -1.995 -11.013 -12.364 0.000 -ATOM 16 CB LYS 8 -1.884 -11.048 -14.902 0.000 -ATOM 17 CA ASP 9 0.789 -11.865 -9.922 0.000 -ATOM 18 CB ASP 9 0.842 -10.362 -9.110 0.000 -ATOM 19 CA GLY 10 0.064 -14.055 -6.902 0.000 -ATOM 20 CA GLY 11 1.059 -11.458 -4.312 0.000 -ATOM 21 CA PRO 12 -0.503 -8.121 -3.384 0.000 -ATOM 22 CB PRO 12 0.540 -8.111 -2.535 0.000 -ATOM 23 CA SER 13 -1.702 -6.206 -6.439 0.000 -ATOM 24 CB SER 13 -2.609 -6.840 -6.752 0.000 -ATOM 25 CA SER 14 -2.987 -2.897 -7.796 0.000 -ATOM 26 CB SER 14 -2.133 -2.176 -8.068 0.000 -ATOM 27 CA GLY 15 -4.550 -3.330 -11.232 0.000 -ATOM 28 CA ARG 16 -3.923 -4.874 -14.648 0.000 -ATOM 29 CB ARG 16 -4.041 -3.156 -17.129 0.000 -ATOM 30 CA PRO 17 -0.683 -5.401 -16.561 0.000 -ATOM 31 CB PRO 17 -1.424 -6.421 -17.029 0.000 -ATOM 32 CA PRO 18 0.945 -2.361 -18.157 0.000 -ATOM 33 CB PRO 18 2.030 -2.803 -17.496 0.000 -ATOM 34 CA PRO 19 0.877 -2.095 -21.947 0.000 -ATOM 35 CB PRO 19 -0.272 -1.459 -21.659 0.000 -ATOM 36 CA SER 20 4.246 -1.960 -23.700 0.000 -ATOM 37 CB SER 20 5.155 -2.265 -23.066 0.000 +ATOM 2 CB ASN 1 4.299 1.462 0.671 0.000 +ATOM 3 CA LEU 2 4.042 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 2.356 -4.701 0.302 0.000 +ATOM 5 CA TYR 3 5.999 -5.539 -2.749 0.000 +ATOM 6 CB TYR 3 8.438 -5.541 -3.218 0.000 +ATOM 7 CA ILE 4 2.872 -7.069 -4.273 0.000 +ATOM 8 CB ILE 4 2.490 -8.793 -4.084 0.000 +ATOM 9 CA GLN 5 1.277 -3.654 -4.756 0.000 +ATOM 10 CB GLN 5 1.347 -2.075 -3.169 0.000 +ATOM 11 CA TRP 6 4.427 -2.341 -6.428 0.000 +ATOM 12 CB TRP 6 5.326 -1.849 -4.034 0.000 +ATOM 13 CA LEU 7 4.626 -5.323 -8.776 0.000 +ATOM 14 CB LEU 7 5.759 -6.426 -7.652 0.000 +ATOM 15 CA LYS 8 1.235 -4.537 -10.300 0.000 +ATOM 16 CB LYS 8 0.201 -5.495 -8.185 0.000 +ATOM 17 CA ASP 9 0.945 -1.652 -12.755 0.000 +ATOM 18 CB ASP 9 -0.432 -1.932 -13.727 0.000 +ATOM 19 CA GLY 10 -0.323 1.750 -11.632 0.000 +ATOM 20 CA GLY 11 -3.965 2.530 -10.882 0.000 +ATOM 21 CA PRO 12 -5.770 5.795 -10.156 0.000 +ATOM 22 CB PRO 12 -6.864 5.037 -10.350 0.000 +ATOM 23 CA SER 13 -5.479 7.930 -7.026 0.000 +ATOM 24 CB SER 13 -4.780 7.480 -6.232 0.000 +ATOM 25 CA SER 14 -3.163 10.413 -8.731 0.000 +ATOM 26 CB SER 14 -2.231 10.726 -8.134 0.000 +ATOM 27 CA GLY 15 -1.544 7.612 -10.723 0.000 +ATOM 28 CA ARG 16 -1.203 5.318 -7.713 0.000 +ATOM 29 CB ARG 16 0.067 7.749 -6.451 0.000 +ATOM 30 CA PRO 17 -3.888 3.347 -5.881 0.000 +ATOM 31 CB PRO 17 -3.223 2.376 -6.533 0.000 +ATOM 32 CA PRO 18 -4.922 4.513 -2.416 0.000 +ATOM 33 CB PRO 18 -6.157 4.443 -2.945 0.000 +ATOM 34 CA PRO 19 -3.845 2.412 0.562 0.000 +ATOM 35 CB PRO 19 -2.892 3.361 0.591 0.000 +ATOM 36 CA SER 20 -6.569 0.961 2.778 0.000 +ATOM 37 CB SER 20 -6.434 -0.169 2.946 0.000 TER CONECT 1 3 2 CONECT 3 5 4