==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC 15-JUL-99 1QD8 . COMPND 2 MOLECULE: VANCOMYCIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AMYCOLATOPSIS ORIENTALIS; . 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) . 2130.0 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 0 219 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-129.8 8.9 8.9 -3.3 2 2 A X + 0 0 185 1,-0.0 0, 0.0 2,-0.0 0, 0.0 0.517 360.0 90.3 88.5 2.1 5.9 10.8 -4.6 3 3 A N - 0 0 88 1,-0.2 2,-0.4 10,-0.0 -1,-0.0 0.934 67.5-143.7-101.1 -69.0 3.3 8.1 -3.6 4 4 A X + 0 0 58 8,-0.0 10,-0.3 11,-0.0 2,-0.3 -1.000 24.9 156.8 130.2-139.8 1.7 8.2 -0.1 5 5 A X B -A 13 0A 92 8,-2.1 8,-2.2 -2,-0.4 6,-0.1 -0.943 40.4-147.0 152.6-158.7 0.7 5.4 2.3 6 6 A X 0 0 144 -2,-0.3 -1,-0.2 6,-0.3 0, 0.0 0.556 360.0 360.0-107.9 148.4 0.1 4.7 5.2 7 7 A X 0 0 261 -2,-0.0 -1,-0.0 0, 0.0 -2,-0.0 -0.372 360.0 360.0 -94.4 360.0 1.3 1.1 5.5 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 0 226 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-140.8 -11.8 6.3 5.5 10 2 B X + 0 0 189 2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.506 360.0 82.4 109.1 2.6 -8.8 6.0 7.8 11 3 B N S S- 0 0 105 1,-0.2 2,-0.4 -6,-0.1 0, 0.0 0.857 73.4-135.5-111.2 -57.7 -6.1 4.9 5.2 12 4 B X + 0 0 76 -8,-0.1 2,-0.3 0, 0.0 -6,-0.3 -0.996 28.0 162.1 128.2-135.7 -4.4 7.6 3.0 13 5 B X B -A 5 0A 87 -8,-2.2 -8,-2.1 -2,-0.4 -10,-0.0 -0.927 37.7-158.3 142.6-168.6 -3.6 7.6 -0.7 14 6 B X 0 0 144 -10,-0.3 -1,-0.2 -2,-0.3 0, 0.0 0.491 360.0 360.0-118.4 137.7 -2.9 9.4 -3.2 15 7 B X 0 0 256 -11,-0.0 -1,-0.0 -2,-0.0 -11,-0.0 -0.436 360.0 360.0 -89.2 360.0 -4.0 7.2 -6.1