X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40009.pdb;h=a0416bc117a287205f450021af1c47e00210b260;hb=eaf9ca9f0a81ea1952cfd9db5435374f931fa8ef;hp=11ffff4338e301b7f5ca3a0eba618133a7950bb0;hpb=9becba72a2b2a3171746bbddc5159bfc60a51ae5;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..a0416bc 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 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 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 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 TER CONECT 1 3 2 CONECT 3 5 4