X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40009.pdb;fp=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40009.pdb;h=f95c3b55abea5eaa1b10100e6fb12248b2582228;hp=a0416bc117a287205f450021af1c47e00210b260;hb=146d1178adc71d967a52adc479882027921b4221;hpb=eaf9ca9f0a81ea1952cfd9db5435374f931fa8ef diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@009.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@009.pdb index a0416bc..f95c3b5 100644 --- a/examples/unres/CSA/4P/outputs/1l2y_csa@009.pdb +++ b/examples/unres/CSA/4P/outputs/1l2y_csa@009.pdb @@ -1,43 +1,43 @@ -REMARK GM 9 e 90063 m 268 ENERGY -1.37142E+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 9 e 200955 m 659 ENERGY -1.75472E+02 +SHEET 1 B1 2 GLY 11 SER 13 0 +SHEET 2 B1 2 ARG 16 PRO 18 -1 N PRO 18 O GLY 11 ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 4.281 1.409 0.786 0.000 -ATOM 3 CA LEU 2 4.039 -3.792 0.000 0.000 -ATOM 4 CB LEU 2 5.469 -4.170 1.255 0.000 -ATOM 5 CA TYR 3 1.495 -4.116 -2.803 0.000 -ATOM 6 CB TYR 3 2.174 -3.182 -5.002 0.000 -ATOM 7 CA ILE 4 2.777 -7.520 -3.902 0.000 -ATOM 8 CB ILE 4 4.449 -7.914 -4.355 0.000 -ATOM 9 CA GLN 5 0.521 -9.359 -1.459 0.000 -ATOM 10 CB GLN 5 1.339 -9.652 0.606 0.000 -ATOM 11 CA TRP 6 -1.035 -6.091 -0.304 0.000 -ATOM 12 CB TRP 6 -3.124 -5.151 -1.546 0.000 -ATOM 13 CA LEU 7 0.768 -4.406 2.586 0.000 -ATOM 14 CB LEU 7 1.749 -5.796 3.516 0.000 -ATOM 15 CA LYS 8 -0.323 -0.772 2.801 0.000 -ATOM 16 CB LYS 8 -0.250 -0.804 0.261 0.000 -ATOM 17 CA ASP 9 -1.959 -1.315 6.188 0.000 -ATOM 18 CB ASP 9 -3.665 -1.222 6.159 0.000 -ATOM 19 CA GLY 10 -2.344 -5.027 5.470 0.000 -ATOM 20 CA GLY 11 -4.374 -4.478 2.305 0.000 -ATOM 21 CA PRO 12 -4.180 -0.938 0.939 0.000 -ATOM 22 CB PRO 12 -5.229 -1.239 0.152 0.000 -ATOM 23 CA SER 13 -5.548 0.619 4.124 0.000 -ATOM 24 CB SER 13 -6.424 1.352 3.995 0.000 -ATOM 25 CA SER 14 -7.585 -2.452 5.052 0.000 -ATOM 26 CB SER 14 -7.658 -3.159 4.147 0.000 -ATOM 27 CA GLY 15 -6.809 -5.071 7.694 0.000 -ATOM 28 CA ARG 16 -6.292 -8.829 7.477 0.000 -ATOM 29 CB ARG 16 -4.310 -10.633 8.869 0.000 -ATOM 30 CA PRO 17 -8.435 -11.556 9.030 0.000 -ATOM 31 CB PRO 17 -8.164 -12.099 7.829 0.000 -ATOM 32 CA PRO 18 -7.670 -12.590 12.606 0.000 -ATOM 33 CB PRO 18 -8.998 -12.441 12.763 0.000 -ATOM 34 CA PRO 19 -6.055 -15.981 13.181 0.000 -ATOM 35 CB PRO 19 -4.991 -15.284 12.743 0.000 -ATOM 36 CA SER 20 -7.326 -18.114 16.057 0.000 -ATOM 37 CB SER 20 -6.492 -18.730 16.554 0.000 +ATOM 2 CB ASN 1 5.339 0.497 0.471 0.000 +ATOM 3 CA LEU 2 4.042 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 3.741 -5.406 1.032 0.000 +ATOM 5 CA TYR 3 4.717 -5.542 -3.305 0.000 +ATOM 6 CB TYR 3 4.941 -4.048 -5.276 0.000 +ATOM 7 CA ILE 4 4.922 -9.335 -3.406 0.000 +ATOM 8 CB ILE 4 4.652 -9.900 -1.744 0.000 +ATOM 9 CA GLN 5 4.998 -11.272 -6.674 0.000 +ATOM 10 CB GLN 5 6.247 -13.100 -6.335 0.000 +ATOM 11 CA TRP 6 1.265 -11.955 -6.481 0.000 +ATOM 12 CB TRP 6 -0.992 -13.187 -6.067 0.000 +ATOM 13 CA LEU 7 0.417 -8.296 -5.909 0.000 +ATOM 14 CB LEU 7 0.877 -7.502 -4.200 0.000 +ATOM 15 CA LYS 8 0.962 -7.454 -9.574 0.000 +ATOM 16 CB LYS 8 3.176 -8.490 -8.880 0.000 +ATOM 17 CA ASP 9 -1.669 -8.771 -11.980 0.000 +ATOM 18 CB ASP 9 -1.414 -7.848 -13.396 0.000 +ATOM 19 CA GLY 10 -1.433 -12.310 -13.342 0.000 +ATOM 20 CA GLY 11 -3.710 -14.475 -15.479 0.000 +ATOM 21 CA PRO 12 -6.965 -16.293 -14.743 0.000 +ATOM 22 CB PRO 12 -6.784 -16.658 -16.025 0.000 +ATOM 23 CA SER 13 -6.927 -17.756 -11.237 0.000 +ATOM 24 CB SER 13 -7.180 -18.873 -11.135 0.000 +ATOM 25 CA SER 14 -3.160 -18.232 -11.372 0.000 +ATOM 26 CB SER 14 -2.793 -17.761 -12.355 0.000 +ATOM 27 CA GLY 15 -2.560 -14.940 -9.571 0.000 +ATOM 28 CA ARG 16 -5.659 -12.759 -9.860 0.000 +ATOM 29 CB ARG 16 -4.784 -11.076 -12.209 0.000 +ATOM 30 CA PRO 17 -8.169 -12.193 -12.656 0.000 +ATOM 31 CB PRO 17 -8.806 -11.112 -12.171 0.000 +ATOM 32 CA PRO 18 -6.822 -10.592 -15.828 0.000 +ATOM 33 CB PRO 18 -7.310 -11.734 -16.344 0.000 +ATOM 34 CA PRO 19 -7.695 -6.959 -16.520 0.000 +ATOM 35 CB PRO 19 -6.500 -6.801 -15.924 0.000 +ATOM 36 CA SER 20 -8.790 -5.904 -20.003 0.000 +ATOM 37 CB SER 20 -9.095 -6.793 -20.666 0.000 TER CONECT 1 3 2 CONECT 3 5 4