X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40021.pdb;fp=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40021.pdb;h=ebedd498cfa2bb4e887a2684d66eba90524019ed;hb=973e30c3fc3444f4e49450c68a510ce149896509;hp=0000000000000000000000000000000000000000;hpb=e1f58c94091d831b301f5c3400202bb180284f72;p=unres.git diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@021.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@021.pdb new file mode 100644 index 0000000..ebedd49 --- /dev/null +++ b/examples/unres/CSA/4P/outputs/1l2y_csa@021.pdb @@ -0,0 +1,61 @@ +REMARK GM 21 e 791036 m 2938 ENERGY -1.80087E+02 +HELIX 1 H1 LEU 2 GLY 10 1 8 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.365 0.487 0.388 0.000 +ATOM 3 CA LEU 2 4.042 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 3.797 -5.687 0.329 0.000 +ATOM 5 CA TYR 3 1.657 -4.076 -2.945 0.000 +ATOM 6 CB TYR 3 0.780 -1.752 -2.988 0.000 +ATOM 7 CA ILE 4 4.334 -3.061 -5.444 0.000 +ATOM 8 CB ILE 4 4.516 -1.397 -6.036 0.000 +ATOM 9 CA GLN 5 6.918 -5.313 -3.803 0.000 +ATOM 10 CB GLN 5 7.353 -3.673 -2.340 0.000 +ATOM 11 CA TRP 6 4.351 -8.088 -3.420 0.000 +ATOM 12 CB TRP 6 3.245 -10.308 -2.621 0.000 +ATOM 13 CA LEU 7 3.050 -7.536 -6.947 0.000 +ATOM 14 CB LEU 7 1.371 -6.889 -6.225 0.000 +ATOM 15 CA LYS 8 6.586 -7.326 -8.323 0.000 +ATOM 16 CB LYS 8 6.996 -4.835 -8.618 0.000 +ATOM 17 CA ASP 9 7.651 -10.496 -6.518 0.000 +ATOM 18 CB ASP 9 7.630 -10.122 -4.850 0.000 +ATOM 19 CA GLY 10 5.440 -12.698 -8.686 0.000 +ATOM 20 CA GLY 11 1.672 -12.690 -8.194 0.000 +ATOM 21 CA PRO 12 -0.125 -13.109 -4.872 0.000 +ATOM 22 CB PRO 12 -1.289 -13.310 -5.516 0.000 +ATOM 23 CA SER 13 1.205 -16.633 -4.366 0.000 +ATOM 24 CB SER 13 1.334 -17.260 -5.321 0.000 +ATOM 25 CA SER 14 4.814 -15.499 -4.006 0.000 +ATOM 26 CB SER 14 4.888 -14.352 -4.024 0.000 +ATOM 27 CA GLY 15 6.868 -16.140 -0.874 0.000 +ATOM 28 CA ARG 16 5.554 -13.109 1.004 0.000 +ATOM 29 CB ARG 16 6.276 -10.408 -0.138 0.000 +ATOM 30 CA PRO 17 2.021 -12.512 2.270 0.000 +ATOM 31 CB PRO 17 2.691 -11.687 3.095 0.000 +ATOM 32 CA PRO 18 -0.595 -11.248 -0.179 0.000 +ATOM 33 CB PRO 18 -1.255 -12.335 0.259 0.000 +ATOM 34 CA PRO 19 -1.754 -7.647 0.187 0.000 +ATOM 35 CB PRO 19 -0.826 -7.436 -0.763 0.000 +ATOM 36 CA SER 20 -5.397 -8.558 -0.399 0.000 +ATOM 37 CB SER 20 -5.573 -9.340 -1.223 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