==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC 13-DEC-00 1GHG . COMPND 2 MOLECULE: VANCOMYCIN AGLYCON; . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.KAPLAN,B.D.KORTY,P.H.AXELSEN,P.J.LOLL . 28 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4151.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 4 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 . 4 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 . 2 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 0 198 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-151.2 16.4 12.4 10.0 2 2 A X + 0 0 183 2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.531 360.0 78.4 111.7 9.6 14.7 13.4 6.8 3 3 A N S S- 0 0 96 1,-0.3 2,-0.3 10,-0.1 0, 0.0 0.793 80.2-122.8-125.4 -55.1 17.7 12.8 4.5 4 4 A X + 0 0 59 8,-0.0 10,-0.3 0, 0.0 2,-0.3 -0.963 35.2 148.9 131.9-147.0 18.6 9.3 3.5 5 5 A X B -A 13 0A 95 8,-2.4 8,-2.3 -2,-0.3 6,-0.1 -0.923 40.0-153.5 150.2-162.7 21.6 7.1 3.7 6 6 A X 0 0 134 -2,-0.3 -1,-0.2 6,-0.3 0, 0.0 0.572 360.0 360.0-111.4 145.2 22.7 4.2 4.0 7 7 A X 0 0 251 -3,-0.1 5,-0.0 -2,-0.0 -2,-0.0 0.535 360.0 360.0 -89.9 360.0 26.1 4.9 5.7 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 0 224 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-120.1 22.6 0.6 -7.5 10 2 B X + 0 0 174 2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.479 360.0 76.5 118.7 8.3 23.0 -0.6 -3.9 11 3 B N S S- 0 0 108 1,-0.2 2,-0.4 -6,-0.1 0, 0.0 0.839 74.5-135.1-121.5 -59.6 23.7 2.6 -2.1 12 4 B X + 0 0 74 -8,-0.1 2,-0.3 -5,-0.0 -6,-0.3 -0.995 26.7 162.4 130.7-137.4 20.8 5.0 -1.3 13 5 B X B -A 5 0A 94 -8,-2.3 -8,-2.4 -2,-0.4 -10,-0.1 -0.919 36.6-154.9 150.8-162.2 20.4 8.8 -1.6 14 6 B X 0 0 131 -10,-0.3 -1,-0.2 -2,-0.3 0, 0.0 0.539 360.0 360.0-112.1 142.1 18.4 11.1 -1.7 15 7 B X 0 0 256 -2,-0.0 -1,-0.0 -11,-0.0 -2,-0.0 -0.149 360.0 360.0 -88.9 360.0 20.2 13.7 -3.6 16 !* 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 17 1 C X 0 0 217 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-133.7 -7.6 15.3 2.4 18 2 C X + 0 0 179 2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.471 360.0 91.1 132.4 -3.2 -7.5 16.2 6.1 19 3 C N - 0 0 106 1,-0.2 2,-0.4 10,-0.0 0, 0.0 0.928 67.6-138.4 -97.5 -59.8 -5.5 13.4 7.7 20 4 C X + 0 0 58 8,-0.0 2,-0.3 0, 0.0 10,-0.3 -0.998 30.8 154.6 128.3-126.4 -1.7 14.0 8.0 21 5 C X B -B 29 0B 100 8,-2.6 8,-2.4 -2,-0.4 2,-0.1 -0.975 45.4-137.9 146.8-157.3 0.9 11.4 7.4 22 6 C X 0 0 145 -2,-0.3 -1,-0.2 6,-0.2 6,-0.0 0.583 360.0 360.0-107.1 152.4 3.7 11.0 6.6 23 7 C X 0 0 248 -3,-0.1 -1,-0.0 -2,-0.1 -2,-0.0 -0.195 360.0 360.0 -91.5 360.0 3.5 8.0 4.3 24 !* 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 25 1 D X 0 0 214 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-122.4 8.9 13.7 18.1 26 2 D X + 0 0 166 2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.483 360.0 87.8 125.4 9.2 9.5 13.7 14.3 27 3 D N S S- 0 0 102 1,-0.2 2,-0.4 -6,-0.0 0, 0.0 0.900 70.3-129.3-107.0 -66.5 6.6 11.7 12.8 28 4 D X + 0 0 55 -8,-0.0 2,-0.3 -6,-0.0 -1,-0.2 -0.990 36.2 143.2 136.1-138.9 3.4 13.4 11.9 29 5 D X B -B 21 0B 95 -8,-2.4 -8,-2.6 -2,-0.4 2,-0.1 -0.984 45.0-142.9 147.3-154.5 -0.1 12.5 12.8 30 6 D X 0 0 133 -2,-0.3 -1,-0.2 -10,-0.3 0, 0.0 0.631 360.0 360.0-106.2 148.6 -2.8 13.7 13.5 31 7 D X 0 0 256 -3,-0.2 -1,-0.0 -2,-0.1 -2,-0.0 -0.201 360.0 360.0 -94.1 360.0 -4.0 11.3 16.1