X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40045.pdb;fp=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40045.pdb;h=f24574b33b54de3b4469e5f43195543216303582;hp=0000000000000000000000000000000000000000;hb=eaf9ca9f0a81ea1952cfd9db5435374f931fa8ef;hpb=9becba72a2b2a3171746bbddc5159bfc60a51ae5 diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@045.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@045.pdb new file mode 100644 index 0000000..f24574b --- /dev/null +++ b/examples/unres/CSA/4P/outputs/1l2y_csa@045.pdb @@ -0,0 +1,63 @@ +REMARK GM 45 e 5718925 m 24177 ENERGY -1.85199E+02 +HELIX 1 H1 LEU 2 GLY 10 1 8 +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 5.353 0.502 0.416 0.000 +ATOM 3 CA LEU 2 4.042 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 4.061 -5.730 -0.056 0.000 +ATOM 5 CA TYR 3 1.528 -4.079 -2.835 0.000 +ATOM 6 CB TYR 3 0.593 -1.784 -2.667 0.000 +ATOM 7 CA ILE 4 4.128 -3.155 -5.447 0.000 +ATOM 8 CB ILE 4 4.351 -1.506 -6.069 0.000 +ATOM 9 CA GLN 5 6.609 -5.665 -4.039 0.000 +ATOM 10 CB GLN 5 7.539 -4.291 -2.534 0.000 +ATOM 11 CA TRP 6 3.860 -8.258 -3.641 0.000 +ATOM 12 CB TRP 6 4.731 -10.704 -3.427 0.000 +ATOM 13 CA LEU 7 2.458 -7.477 -7.086 0.000 +ATOM 14 CB LEU 7 1.010 -6.307 -6.544 0.000 +ATOM 15 CA LYS 8 5.946 -7.460 -8.595 0.000 +ATOM 16 CB LYS 8 6.764 -5.055 -8.565 0.000 +ATOM 17 CA ASP 9 6.714 -10.909 -7.198 0.000 +ATOM 18 CB ASP 9 7.817 -10.766 -5.900 0.000 +ATOM 19 CA GLY 10 3.571 -12.458 -8.670 0.000 +ATOM 20 CA GLY 11 3.090 -14.552 -11.804 0.000 +ATOM 21 CA PRO 12 5.592 -14.885 -14.644 0.000 +ATOM 22 CB PRO 12 4.745 -15.365 -15.571 0.000 +ATOM 23 CA SER 13 5.840 -11.633 -16.595 0.000 +ATOM 24 CB SER 13 6.108 -11.719 -17.710 0.000 +ATOM 25 CA SER 14 2.060 -11.589 -16.978 0.000 +ATOM 26 CB SER 14 1.538 -12.608 -16.868 0.000 +ATOM 27 CA GLY 15 1.660 -10.411 -13.387 0.000 +ATOM 28 CA ARG 16 5.281 -10.083 -12.281 0.000 +ATOM 29 CB ARG 16 3.576 -7.803 -11.273 0.000 +ATOM 30 CA PRO 17 7.813 -12.802 -11.485 0.000 +ATOM 31 CB PRO 17 8.450 -11.781 -10.885 0.000 +ATOM 32 CA PRO 18 6.819 -15.787 -9.354 0.000 +ATOM 33 CB PRO 18 6.621 -16.340 -10.564 0.000 +ATOM 34 CA PRO 19 9.253 -17.008 -6.704 0.000 +ATOM 35 CB PRO 19 8.734 -16.069 -5.893 0.000 +ATOM 36 CA SER 20 9.857 -20.310 -8.486 0.000 +ATOM 37 CB SER 20 8.939 -20.755 -9.016 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