X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40016.pdb;fp=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40016.pdb;h=d7d958dc2677edec67e7dd49c1bbef05914fa952;hp=15f3642479f821424a88afa7c9783b69d2b835ce;hb=eaf9ca9f0a81ea1952cfd9db5435374f931fa8ef;hpb=9becba72a2b2a3171746bbddc5159bfc60a51ae5 diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@016.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@016.pdb index 15f3642..d7d958d 100644 --- a/examples/unres/CSA/4P/outputs/1l2y_csa@016.pdb +++ b/examples/unres/CSA/4P/outputs/1l2y_csa@016.pdb @@ -1,43 +1,42 @@ -REMARK GM 16 e 450602 m 1665 ENERGY -1.72075E+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 16 e 696264 m 2727 ENERGY -1.65722E+02 +HELIX 1 H1 TYR 3 GLY 10 1 7 ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 4.242 1.461 0.711 0.000 -ATOM 3 CA LEU 2 4.040 -3.792 0.000 0.000 -ATOM 4 CB LEU 2 3.515 -5.511 0.728 0.000 -ATOM 5 CA TYR 3 5.112 -5.328 -3.306 0.000 -ATOM 6 CB TYR 3 7.524 -5.173 -3.880 0.000 -ATOM 7 CA ILE 4 5.856 -8.688 -1.696 0.000 -ATOM 8 CB ILE 4 7.508 -9.131 -1.217 0.000 -ATOM 9 CA GLN 5 2.212 -9.763 -1.716 0.000 -ATOM 10 CB GLN 5 0.260 -8.856 -1.096 0.000 -ATOM 11 CA TRP 6 1.342 -7.223 -4.404 0.000 -ATOM 12 CB TRP 6 3.602 -7.612 -5.641 0.000 -ATOM 13 CA LEU 7 -0.174 -4.758 -1.941 0.000 -ATOM 14 CB LEU 7 -0.857 -4.034 -0.277 0.000 -ATOM 15 CA LYS 8 0.984 -1.788 -4.009 0.000 -ATOM 16 CB LYS 8 3.471 -1.623 -3.514 0.000 -ATOM 17 CA ASP 9 -1.205 -2.735 -6.967 0.000 -ATOM 18 CB ASP 9 -1.619 -4.298 -6.415 0.000 -ATOM 19 CA GLY 10 -4.209 -0.877 -5.566 0.000 -ATOM 20 CA GLY 11 -5.595 -3.892 -3.715 0.000 -ATOM 21 CA PRO 12 -3.789 -6.936 -2.333 0.000 -ATOM 22 CB PRO 12 -4.896 -6.955 -1.570 0.000 -ATOM 23 CA SER 13 -2.027 -9.118 -4.898 0.000 -ATOM 24 CB SER 13 -1.509 -8.764 -5.862 0.000 -ATOM 25 CA SER 14 -0.087 -12.345 -4.383 0.000 -ATOM 26 CB SER 14 -0.749 -13.275 -4.518 0.000 -ATOM 27 CA GLY 15 2.756 -13.534 -6.607 0.000 -ATOM 28 CA ARG 16 4.246 -16.932 -7.427 0.000 -ATOM 29 CB ARG 16 1.667 -17.001 -8.997 0.000 -ATOM 30 CA PRO 17 7.476 -18.405 -6.073 0.000 -ATOM 31 CB PRO 17 6.704 -19.505 -6.127 0.000 -ATOM 32 CA PRO 18 10.712 -17.573 -7.883 0.000 -ATOM 33 CB PRO 18 11.051 -17.134 -6.657 0.000 -ATOM 34 CA PRO 19 12.370 -20.331 -9.904 0.000 -ATOM 35 CB PRO 19 12.213 -19.573 -11.004 0.000 -ATOM 36 CA SER 20 15.814 -19.578 -8.486 0.000 -ATOM 37 CB SER 20 16.065 -18.462 -8.365 0.000 +ATOM 2 CB ASN 1 4.248 1.446 0.738 0.000 +ATOM 3 CA LEU 2 4.039 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 4.119 -5.628 0.618 0.000 +ATOM 5 CA TYR 3 1.487 -4.114 -2.797 0.000 +ATOM 6 CB TYR 3 2.981 -2.811 -4.295 0.000 +ATOM 7 CA ILE 4 2.557 -7.672 -3.596 0.000 +ATOM 8 CB ILE 4 4.107 -7.990 -4.401 0.000 +ATOM 9 CA GLN 5 1.112 -8.974 -0.331 0.000 +ATOM 10 CB GLN 5 0.429 -8.464 1.741 0.000 +ATOM 11 CA TRP 6 -1.998 -6.833 -0.768 0.000 +ATOM 12 CB TRP 6 -4.465 -6.625 0.042 0.000 +ATOM 13 CA LEU 7 -2.374 -7.898 -4.396 0.000 +ATOM 14 CB LEU 7 -1.574 -6.316 -5.182 0.000 +ATOM 15 CA LYS 8 -1.754 -11.535 -3.487 0.000 +ATOM 16 CB LYS 8 0.700 -11.818 -4.081 0.000 +ATOM 17 CA ASP 9 -4.420 -11.424 -0.781 0.000 +ATOM 18 CB ASP 9 -3.771 -10.627 0.584 0.000 +ATOM 19 CA GLY 10 -7.259 -11.170 -3.295 0.000 +ATOM 20 CA GLY 11 -5.692 -13.506 -5.851 0.000 +ATOM 21 CA PRO 12 -5.460 -17.292 -6.077 0.000 +ATOM 22 CB PRO 12 -4.470 -17.135 -6.973 0.000 +ATOM 23 CA SER 13 -3.846 -17.585 -2.649 0.000 +ATOM 24 CB SER 13 -2.777 -17.213 -2.848 0.000 +ATOM 25 CA SER 14 -6.969 -16.359 -0.864 0.000 +ATOM 26 CB SER 14 -7.362 -15.353 -1.261 0.000 +ATOM 27 CA GLY 15 -9.271 -18.643 -2.845 0.000 +ATOM 28 CA ARG 16 -7.286 -21.798 -2.110 0.000 +ATOM 29 CB ARG 16 -5.012 -20.837 -3.849 0.000 +ATOM 30 CA PRO 17 -7.034 -23.090 1.455 0.000 +ATOM 31 CB PRO 17 -6.996 -24.230 0.743 0.000 +ATOM 32 CA PRO 18 -4.693 -21.318 3.867 0.000 +ATOM 33 CB PRO 18 -5.709 -20.566 4.328 0.000 +ATOM 34 CA PRO 19 -4.271 -24.397 6.054 0.000 +ATOM 35 CB PRO 19 -4.960 -25.065 5.113 0.000 +ATOM 36 CA SER 20 -0.616 -24.828 5.105 0.000 +ATOM 37 CB SER 20 -0.424 -25.188 4.030 0.000 TER CONECT 1 3 2 CONECT 3 5 4