X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40009.pdb;h=f95c3b55abea5eaa1b10100e6fb12248b2582228;hb=HEAD;hp=11ffff4338e301b7f5ca3a0eba618133a7950bb0;hpb=298a65597178e57aa648272bf623446205588842;p=unres.git diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@009.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@009.pdb index 11ffff4..f95c3b5 100644 --- a/examples/unres/CSA/4P/outputs/1l2y_csa@009.pdb +++ b/examples/unres/CSA/4P/outputs/1l2y_csa@009.pdb @@ -1,41 +1,43 @@ -REMARK GM 9 e 57287 m 159 ENERGY -1.30778E+02 +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 5.240 0.789 0.373 0.000 -ATOM 3 CA LEU 2 5.559 -3.369 0.000 0.000 -ATOM 4 CB LEU 2 5.716 -4.626 -1.468 0.000 -ATOM 5 CA TYR 3 9.048 -3.735 1.460 0.000 -ATOM 6 CB TYR 3 8.616 -4.526 3.775 0.000 -ATOM 7 CA ILE 4 9.539 -7.249 0.102 0.000 -ATOM 8 CB ILE 4 8.200 -8.416 0.121 0.000 -ATOM 9 CA GLN 5 10.847 -5.982 -3.233 0.000 -ATOM 10 CB GLN 5 9.858 -3.973 -3.274 0.000 -ATOM 11 CA TRP 6 14.386 -5.856 -1.855 0.000 -ATOM 12 CB TRP 6 16.389 -5.177 -3.377 0.000 -ATOM 13 CA LEU 7 13.912 -7.080 1.711 0.000 -ATOM 14 CB LEU 7 14.236 -8.593 2.880 0.000 -ATOM 15 CA LYS 8 12.737 -4.645 4.381 0.000 -ATOM 16 CB LYS 8 12.541 -3.493 2.124 0.000 -ATOM 17 CA ASP 9 13.119 -4.702 8.161 0.000 -ATOM 18 CB ASP 9 12.261 -3.368 8.796 0.000 -ATOM 19 CA GLY 10 10.347 -7.240 8.721 0.000 -ATOM 20 CA GLY 11 7.602 -8.899 6.683 0.000 -ATOM 21 CA PRO 12 5.925 -7.665 3.504 0.000 -ATOM 22 CB PRO 12 4.845 -8.408 3.805 0.000 -ATOM 23 CA SER 13 5.081 -4.271 4.992 0.000 -ATOM 24 CB SER 13 4.320 -4.348 5.851 0.000 -ATOM 25 CA SER 14 6.953 -0.984 5.349 0.000 -ATOM 26 CB SER 14 6.429 -0.108 4.819 0.000 -ATOM 27 CA GLY 15 9.336 0.057 8.120 0.000 -ATOM 28 CA ARG 16 6.611 1.002 10.594 0.000 -ATOM 29 CB ARG 16 4.518 -0.691 11.963 0.000 -ATOM 30 CA PRO 17 6.850 1.519 14.351 0.000 -ATOM 31 CB PRO 17 6.246 2.660 13.975 0.000 -ATOM 32 CA PRO 18 5.881 -1.385 16.602 0.000 -ATOM 33 CB PRO 18 7.058 -1.112 17.194 0.000 -ATOM 34 CA PRO 19 2.649 -1.099 18.580 0.000 -ATOM 35 CB PRO 19 2.242 -1.895 17.574 0.000 -ATOM 36 CA SER 20 2.910 -0.996 22.369 0.000 -ATOM 37 CB SER 20 2.896 0.099 22.722 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