X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FCSA%2FGAB%2Flocal%2Foutputs%2F1l2y_csa%40022.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Flocal%2Foutputs%2F1l2y_csa%40022.pdb;h=24caaf89ca47c32100b3077b1fbdfc6cbd438af0;hb=973e30c3fc3444f4e49450c68a510ce149896509;hp=0000000000000000000000000000000000000000;hpb=e1f58c94091d831b301f5c3400202bb180284f72;p=unres.git diff --git a/examples/unres/CSA/GAB/local/outputs/1l2y_csa@022.pdb b/examples/unres/CSA/GAB/local/outputs/1l2y_csa@022.pdb new file mode 100644 index 0000000..24caaf8 --- /dev/null +++ b/examples/unres/CSA/GAB/local/outputs/1l2y_csa@022.pdb @@ -0,0 +1,61 @@ +REMARK GM 22 e 1470737 m 4262 rms 2.31 %NC 53.3 ENERGY -9.08499E+01 +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 5.414 0.458 0.141 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.504 -5.587 -0.479 0.000 +ATOM 5 CA TYR 3 6.090 -3.751 -3.209 0.000 +ATOM 6 CB TYR 3 5.994 -1.301 -3.610 0.000 +ATOM 7 CA ILE 4 9.313 -3.098 -1.305 0.000 +ATOM 8 CB ILE 4 9.982 -1.462 -1.127 0.000 +ATOM 9 CA GLN 5 8.387 -5.708 1.296 0.000 +ATOM 10 CB GLN 5 7.068 -4.367 2.512 0.000 +ATOM 11 CA TRP 6 7.269 -8.065 -1.467 0.000 +ATOM 12 CB TRP 6 5.621 -9.882 -2.345 0.000 +ATOM 13 CA LEU 7 10.317 -7.170 -3.552 0.000 +ATOM 14 CB LEU 7 9.090 -6.465 -4.878 0.000 +ATOM 15 CA LYS 8 12.597 -7.968 -0.618 0.000 +ATOM 16 CB LYS 8 11.711 -6.055 0.800 0.000 +ATOM 17 CA ASP 9 10.743 -11.211 0.080 0.000 +ATOM 18 CB ASP 9 9.403 -10.392 0.756 0.000 +ATOM 19 CA GLY 10 12.375 -12.828 -2.947 0.000 +ATOM 20 CA GLY 11 10.967 -10.842 -5.865 0.000 +ATOM 21 CA PRO 12 7.328 -11.899 -5.584 0.000 +ATOM 22 CB PRO 12 6.862 -10.798 -6.199 0.000 +ATOM 23 CA SER 13 8.234 -15.342 -4.253 0.000 +ATOM 24 CB SER 13 9.357 -15.508 -4.066 0.000 +ATOM 25 CA SER 14 7.288 -14.524 -0.664 0.000 +ATOM 26 CB SER 14 7.074 -13.408 -0.486 0.000 +ATOM 27 CA GLY 15 4.043 -15.698 0.927 0.000 +ATOM 28 CA ARG 16 2.149 -12.490 0.179 0.000 +ATOM 29 CB ARG 16 4.120 -10.389 1.086 0.000 +ATOM 30 CA PRO 17 0.440 -11.296 -2.998 0.000 +ATOM 31 CB PRO 17 0.015 -10.338 -2.155 0.000 +ATOM 32 CA PRO 18 2.577 -10.369 -6.000 0.000 +ATOM 33 CB PRO 18 1.680 -11.113 -6.671 0.000 +ATOM 34 CA PRO 19 2.914 -6.696 -6.914 0.000 +ATOM 35 CB PRO 19 3.707 -6.748 -5.828 0.000 +ATOM 36 CA SER 20 2.816 -5.808 -10.607 0.000 +ATOM 37 CB SER 20 2.031 -4.999 -10.833 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