==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC 20-JUL-99 1C0Q . COMPND 2 MOLECULE: VANCOMYCIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR P.J.LOLL,J.KAPLAN,B.SELINSKY,P.H.AXELSEN . 14 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2083.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 2 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A X 0 0 215 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-128.7 8.8 8.8 -3.3 2 2 A X + 0 0 181 1,-0.0 12,-0.0 2,-0.0 0, 0.0 0.505 360.0 91.3 86.7 2.8 5.8 10.7 -4.5 3 3 A N - 0 0 83 1,-0.2 2,-0.4 10,-0.0 -1,-0.0 0.935 66.8-145.3 -99.6 -68.4 3.3 8.0 -3.5 4 4 A X + 0 0 55 8,-0.0 10,-0.3 11,-0.0 2,-0.3 -0.999 24.4 156.7 127.9-139.0 1.7 8.1 -0.1 5 5 A X B -A 13 0A 91 8,-2.2 8,-2.3 -2,-0.4 6,-0.1 -0.934 40.7-145.8 151.0-159.1 0.7 5.3 2.2 6 6 A X 0 0 141 -2,-0.3 -1,-0.2 6,-0.3 0, 0.0 0.576 360.0 360.0-107.5 149.3 0.1 4.6 5.1 7 7 A X 0 0 256 -3,-0.1 -1,-0.1 -2,-0.0 -2,-0.0 -0.357 360.0 360.0 -92.0 360.0 1.3 1.1 5.4 8 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 9 1 B X 0 0 223 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-137.8 -11.7 6.2 5.3 10 2 B X + 0 0 186 2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.499 360.0 82.6 105.8 3.5 -8.7 6.1 7.6 11 3 B N S S- 0 0 102 1,-0.3 2,-0.4 -6,-0.1 0, 0.0 0.855 74.1-133.8-112.6 -54.5 -6.0 4.9 5.2 12 4 B X + 0 0 73 -8,-0.1 2,-0.3 0, 0.0 -6,-0.3 -0.996 28.7 163.1 130.4-133.3 -4.4 7.5 3.0 13 5 B X B -A 5 0A 85 -8,-2.3 -8,-2.2 -2,-0.4 -10,-0.0 -0.915 37.4-158.2 141.1-168.5 -3.6 7.5 -0.7 14 6 B X 0 0 138 -10,-0.3 -1,-0.2 -2,-0.3 0, 0.0 0.479 360.0 360.0-117.3 139.1 -2.8 9.2 -3.1 15 7 B X 0 0 254 -2,-0.0 -1,-0.0 -11,-0.0 -11,-0.0 -0.452 360.0 360.0 -89.3 360.0 -3.9 7.1 -6.1