==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC 29-DEC-00 1HHY . COMPND 2 MOLECULE: DEGLUCOBALHIMYCIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR C.LEHMANN,G.BUNKOCZI,G.M.SHELDRICK,L.VERTESY . 18 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1996.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 8 44.4 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 11.1 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 0 173 0, 0.0 9,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-119.1 13.0 27.6 32.6 2 2 A X + 0 0 162 2,-0.1 8,-0.1 0, 0.0 0, 0.0 0.426 360.0 77.1 127.8 -0.8 12.2 30.0 29.6 3 3 A N S S- 0 0 97 7,-2.1 2,-0.4 1,-0.2 0, 0.0 0.857 76.2-129.6-116.2 -58.7 12.0 27.6 26.6 4 4 A X + 0 0 42 6,-2.5 6,-3.0 11,-0.1 2,-0.3 -0.975 31.5 161.1 137.6-123.0 8.9 25.4 26.1 5 5 A X B -A 16 0A 87 11,-2.5 11,-2.4 -2,-0.4 9,-0.1 -0.980 36.3-151.2 139.0-151.6 8.7 21.7 25.5 6 6 A X 0 0 117 -2,-0.3 -1,-0.2 9,-0.3 0, 0.0 0.636 360.0 360.0-103.9 146.1 6.7 19.4 25.7 7 7 A X 0 0 229 -3,-0.2 -1,-0.1 -2,-0.0 -2,-0.0 -0.354 360.0 360.0 -90.3 360.0 8.8 16.4 26.4 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 11 A X 0 0 47 0, 0.0 -4,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-148.0 11.3 21.9 29.0 10 12 A X 0 0 42 -6,-3.0 -6,-2.5 -9,-0.1 -7,-2.1 -0.345 360.0 360.0 80.0 360.0 9.6 24.7 31.0 11 !* 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 12 1 B X 0 0 172 0, 0.0 9,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-124.0 1.6 19.8 14.9 13 2 B X + 0 0 159 2,-0.1 8,-0.0 0, 0.0 0, 0.0 0.495 360.0 87.7 125.6 7.9 1.1 18.8 18.5 14 3 B N S S- 0 0 89 7,-2.4 2,-0.4 1,-0.2 0, 0.0 0.879 70.5-130.7-110.7 -61.5 4.6 19.3 19.9 15 4 B X + 0 0 40 6,-2.3 6,-2.8 -11,-0.0 2,-0.3 -0.983 30.0 159.1 139.1-131.0 5.6 22.7 21.3 16 5 B X B -A 5 0A 85 -11,-2.4 -11,-2.5 -2,-0.4 -13,-0.1 -0.971 37.9-149.6 143.7-156.1 8.6 24.9 20.8 17 6 B X 0 0 121 -2,-0.3 -1,-0.2 -13,-0.3 0, 0.0 0.601 360.0 360.0-104.3 147.8 9.7 27.7 21.0 18 7 B X 0 0 228 -3,-0.2 -1,-0.1 -2,-0.0 -2,-0.0 -0.381 360.0 360.0 -90.9 360.0 12.2 27.9 18.2 19 ! 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 20 11 B X 0 0 63 0, 0.0 -4,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-149.5 7.2 23.9 16.5 21 12 B X 0 0 43 -6,-2.8 -7,-2.4 -9,-0.1 -6,-2.3 -0.529 360.0 360.0 84.2 360.0 3.5 24.1 17.0