==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC 23-JUL-97 1SHO . COMPND 2 MOLECULE: VANCOMYCIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR G.M.SHELDRICK . 14 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2077.0 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 0.000 360.0 360.0 360.0-126.7 5.5 5.5 -3.3 2 2 A X + 0 0 181 1,-0.0 12,-0.0 2,-0.0 0, 0.0 0.498 360.0 91.6 85.7 4.1 8.5 3.5 -4.5 3 3 A N - 0 0 84 1,-0.2 2,-0.4 10,-0.0 -1,-0.0 0.944 66.6-145.0-101.9 -69.7 10.9 6.2 -3.5 4 4 A X + 0 0 54 8,-0.0 10,-0.3 11,-0.0 2,-0.3 -0.998 24.7 156.6 127.5-139.6 12.6 6.1 -0.1 5 5 A X B -A 13 0A 90 8,-2.2 8,-2.3 -2,-0.4 6,-0.1 -0.936 40.7-146.8 151.9-157.9 13.6 8.9 2.2 6 6 A X 0 0 141 -2,-0.3 -1,-0.2 6,-0.3 0, 0.0 0.570 360.0 360.0-106.2 148.3 14.1 9.6 5.1 7 7 A X 0 0 257 -3,-0.1 -1,-0.0 -2,-0.0 -2,-0.0 -0.301 360.0 360.0 -91.1 360.0 13.0 13.2 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 0 221 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-135.3 25.9 8.0 5.2 10 2 B X + 0 0 185 2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.524 360.0 84.6 103.4 5.0 23.0 8.1 7.6 11 3 B N S S- 0 0 104 1,-0.2 2,-0.4 -6,-0.1 0, 0.0 0.865 74.2-132.0-114.0 -53.9 20.3 9.3 5.2 12 4 B X + 0 0 75 -8,-0.1 2,-0.3 0, 0.0 -6,-0.3 -0.998 29.5 162.5 130.7-134.1 18.6 6.7 3.0 13 5 B X B -A 5 0A 84 -8,-2.3 -8,-2.2 -2,-0.4 -10,-0.0 -0.908 37.1-160.6 140.6-168.2 17.9 6.7 -0.7 14 6 B X 0 0 137 -10,-0.3 -1,-0.2 -2,-0.3 0, 0.0 0.465 360.0 360.0-116.8 139.5 17.1 5.0 -3.1 15 7 B X 0 0 249 -2,-0.0 -1,-0.0 -11,-0.0 -11,-0.0 -0.359 360.0 360.0 -87.6 360.0 18.2 7.1 -6.1