X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40044.pdb;fp=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40044.pdb;h=ee6559f46986a04edac9d09a7051ba3768684bad;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@044.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@044.pdb new file mode 100644 index 0000000..ee6559f --- /dev/null +++ b/examples/unres/CSA/4P/outputs/1l2y_csa@044.pdb @@ -0,0 +1,61 @@ +REMARK GM 44 e 5218425 m 22860 ENERGY -2.13450E+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 4.379 0.214 1.567 0.000 +ATOM 3 CA LEU 2 4.041 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 5.315 -4.665 1.173 0.000 +ATOM 5 CA TYR 3 1.532 -4.118 -2.836 0.000 +ATOM 6 CB TYR 3 -0.382 -3.082 -4.032 0.000 +ATOM 7 CA ILE 4 2.646 -7.666 -3.621 0.000 +ATOM 8 CB ILE 4 4.132 -7.932 -2.686 0.000 +ATOM 9 CA GLN 5 0.683 -9.088 -0.695 0.000 +ATOM 10 CB GLN 5 2.133 -9.555 0.947 0.000 +ATOM 11 CA TRP 6 -2.300 -6.879 -1.511 0.000 +ATOM 12 CB TRP 6 -3.376 -4.508 -1.599 0.000 +ATOM 13 CA LEU 7 -2.218 -7.884 -5.175 0.000 +ATOM 14 CB LEU 7 -2.482 -6.460 -6.464 0.000 +ATOM 15 CA LYS 8 -1.580 -11.519 -4.268 0.000 +ATOM 16 CB LYS 8 -1.076 -11.765 -1.789 0.000 +ATOM 17 CA ASP 9 -4.768 -11.693 -2.208 0.000 +ATOM 18 CB ASP 9 -6.159 -11.956 -1.251 0.000 +ATOM 19 CA GLY 10 -7.007 -11.806 -5.276 0.000 +ATOM 20 CA GLY 11 -8.717 -14.825 -6.826 0.000 +ATOM 21 CA PRO 12 -7.876 -18.463 -6.123 0.000 +ATOM 22 CB PRO 12 -8.564 -18.982 -7.156 0.000 +ATOM 23 CA SER 13 -4.531 -19.405 -7.661 0.000 +ATOM 24 CB SER 13 -4.413 -20.495 -8.007 0.000 +ATOM 25 CA SER 14 -5.715 -18.079 -11.019 0.000 +ATOM 26 CB SER 14 -6.858 -17.985 -11.108 0.000 +ATOM 27 CA GLY 15 -5.168 -14.503 -9.854 0.000 +ATOM 28 CA ARG 16 -3.787 -14.964 -6.344 0.000 +ATOM 29 CB ARG 16 -1.375 -14.162 -7.975 0.000 +ATOM 30 CA PRO 17 -5.570 -16.183 -3.218 0.000 +ATOM 31 CB PRO 17 -4.495 -15.610 -2.648 0.000 +ATOM 32 CA PRO 18 -9.034 -14.955 -2.254 0.000 +ATOM 33 CB PRO 18 -9.565 -15.952 -2.984 0.000 +ATOM 34 CA PRO 19 -8.645 -16.116 1.344 0.000 +ATOM 35 CB PRO 19 -7.329 -15.903 1.162 0.000 +ATOM 36 CA SER 20 -8.844 -12.590 2.748 0.000 +ATOM 37 CB SER 20 -7.896 -11.940 2.750 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL