X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40011.pdb;h=ad1cf9490471ffdf9142bef00f6c3b3ac2aa1207;hb=46f3f544d5a60812e2e11e03b619903f2ed052eb;hp=b096944744332a82b2f9beaf1b54889acdd137b8;hpb=973e30c3fc3444f4e49450c68a510ce149896509;p=unres.git diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@011.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@011.pdb index b096944..ad1cf94 100644 --- a/examples/unres/CSA/4P/outputs/1l2y_csa@011.pdb +++ b/examples/unres/CSA/4P/outputs/1l2y_csa@011.pdb @@ -1,43 +1,43 @@ -REMARK GM 11 e 91369 m 260 ENERGY -1.59460E+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 11 e 284089 m 1014 ENERGY -1.87340E+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 ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 4.230 1.456 0.729 0.000 -ATOM 3 CA LEU 2 4.039 -3.792 0.000 0.000 -ATOM 4 CB LEU 2 4.134 -5.506 0.902 0.000 -ATOM 5 CA TYR 3 1.467 -4.134 -2.776 0.000 -ATOM 6 CB TYR 3 -0.946 -4.126 -3.366 0.000 -ATOM 7 CA ILE 4 1.904 -4.665 -6.513 0.000 -ATOM 8 CB ILE 4 2.448 -6.351 -6.386 0.000 -ATOM 9 CA GLN 5 0.869 -2.257 -9.265 0.000 -ATOM 10 CB GLN 5 2.335 -1.458 -10.759 0.000 -ATOM 11 CA TRP 6 -0.142 -5.118 -11.552 0.000 -ATOM 12 CB TRP 6 2.172 -5.057 -12.745 0.000 -ATOM 13 CA LEU 7 -2.796 -7.683 -10.646 0.000 -ATOM 14 CB LEU 7 -4.719 -7.512 -10.827 0.000 -ATOM 15 CA LYS 8 -2.019 -10.961 -12.405 0.000 -ATOM 16 CB LYS 8 -1.890 -10.990 -14.943 0.000 -ATOM 17 CA ASP 9 0.761 -11.841 -9.969 0.000 -ATOM 18 CB ASP 9 0.813 -10.344 -9.147 0.000 -ATOM 19 CA GLY 10 0.027 -14.040 -6.958 0.000 -ATOM 20 CA GLY 11 1.032 -11.458 -4.357 0.000 -ATOM 21 CA PRO 12 -0.513 -8.118 -3.410 0.000 -ATOM 22 CB PRO 12 0.528 -8.120 -2.559 0.000 -ATOM 23 CA SER 13 -1.703 -6.180 -6.454 0.000 -ATOM 24 CB SER 13 -2.612 -6.808 -6.773 0.000 -ATOM 25 CA SER 14 -2.971 -2.861 -7.801 0.000 -ATOM 26 CB SER 14 -2.113 -2.145 -8.073 0.000 -ATOM 27 CA GLY 15 -4.528 -3.274 -11.243 0.000 -ATOM 28 CA ARG 16 -3.905 -4.806 -14.664 0.000 -ATOM 29 CB ARG 16 -3.844 -2.976 -17.066 0.000 -ATOM 30 CA PRO 17 -0.662 -5.334 -16.573 0.000 -ATOM 31 CB PRO 17 -1.401 -6.355 -17.044 0.000 -ATOM 32 CA PRO 18 0.973 -2.292 -18.157 0.000 -ATOM 33 CB PRO 18 2.045 -2.724 -17.469 0.000 -ATOM 34 CA PRO 19 0.945 -2.035 -21.949 0.000 -ATOM 35 CB PRO 19 -0.092 -1.231 -21.653 0.000 -ATOM 36 CA SER 20 4.293 -2.175 -23.740 0.000 -ATOM 37 CB SER 20 4.300 -2.951 -24.589 0.000 +ATOM 2 CB ASN 1 4.341 0.212 1.580 0.000 +ATOM 3 CA LEU 2 4.041 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 3.718 -4.927 1.539 0.000 +ATOM 5 CA TYR 3 4.962 -5.463 -3.287 0.000 +ATOM 6 CB TYR 3 5.153 -4.798 -5.672 0.000 +ATOM 7 CA ILE 4 5.495 -8.849 -1.647 0.000 +ATOM 8 CB ILE 4 5.518 -9.185 0.097 0.000 +ATOM 9 CA GLN 5 1.898 -9.965 -2.156 0.000 +ATOM 10 CB GLN 5 1.518 -11.147 -0.291 0.000 +ATOM 11 CA TRP 6 1.049 -7.026 -4.410 0.000 +ATOM 12 CB TRP 6 1.429 -4.992 -5.993 0.000 +ATOM 13 CA LEU 7 -0.319 -4.879 -1.589 0.000 +ATOM 14 CB LEU 7 -0.644 -5.886 0.036 0.000 +ATOM 15 CA LYS 8 0.620 -1.674 -3.403 0.000 +ATOM 16 CB LYS 8 3.153 -1.635 -3.600 0.000 +ATOM 17 CA ASP 9 -2.181 -2.088 -5.938 0.000 +ATOM 18 CB ASP 9 -3.435 -2.610 -6.975 0.000 +ATOM 19 CA GLY 10 -4.598 0.114 -4.002 0.000 +ATOM 20 CA GLY 11 -1.997 2.655 -2.898 0.000 +ATOM 21 CA PRO 12 -0.117 5.336 -4.826 0.000 +ATOM 22 CB PRO 12 0.641 5.504 -3.727 0.000 +ATOM 23 CA SER 13 1.529 2.761 -7.085 0.000 +ATOM 24 CB SER 13 1.600 1.764 -6.516 0.000 +ATOM 25 CA SER 14 -1.758 1.907 -8.790 0.000 +ATOM 26 CB SER 14 -2.424 1.407 -7.997 0.000 +ATOM 27 CA GLY 15 -3.296 5.356 -8.364 0.000 +ATOM 28 CA ARG 16 -6.029 4.273 -5.957 0.000 +ATOM 29 CB ARG 16 -4.162 5.562 -3.965 0.000 +ATOM 30 CA PRO 17 -7.858 6.358 -3.359 0.000 +ATOM 31 CB PRO 17 -8.889 5.656 -3.861 0.000 +ATOM 32 CA PRO 18 -6.490 6.371 0.186 0.000 +ATOM 33 CB PRO 18 -5.883 7.486 -0.260 0.000 +ATOM 34 CA PRO 19 -8.517 4.585 2.857 0.000 +ATOM 35 CB PRO 19 -7.504 3.738 3.115 0.000 +ATOM 36 CA SER 20 -8.040 7.380 5.387 0.000 +ATOM 37 CB SER 20 -6.981 7.816 5.486 0.000 TER CONECT 1 3 2 CONECT 3 5 4