==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC 28-DEC-00 1HHU . COMPND 2 MOLECULE: BALHIMYCIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AMYCOLATOPSIS SP.; . AUTHOR C.LEHMANN,G.BUNKOCZI,G.M.SHELDRICK,L.VERTESSY . 36 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2994.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 16 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 . 4 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 . 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 0 147 0, 0.0 9,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-122.5 19.5 26.0 27.1 2 2 A X + 0 0 162 2,-0.1 8,-0.1 0, 0.0 0, 0.0 0.590 360.0 85.1 119.4 16.8 16.2 24.8 25.9 3 3 A N S S- 0 0 26 7,-2.6 2,-0.4 1,-0.2 0, 0.0 0.815 70.3-133.2-117.2 -62.0 13.7 26.8 28.1 4 4 A X + 0 0 40 6,-2.5 6,-2.7 33,-0.0 2,-0.3 -0.982 30.3 158.0 133.5-129.4 12.6 30.3 27.1 5 5 A X B -A 38 0A 13 33,-2.6 33,-2.7 -2,-0.4 31,-0.1 -0.979 40.0-147.9 144.1-151.3 12.4 33.5 29.2 6 6 A X 0 0 123 -2,-0.3 -1,-0.2 31,-0.3 0, 0.0 0.614 360.0 360.0-100.6 146.0 12.4 36.4 28.9 7 7 A X 0 0 151 -3,-0.2 -1,-0.1 -2,-0.0 18,-0.0 -0.364 360.0 360.0 -88.7 360.0 14.1 37.5 32.0 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,-0.2 0, 0.0 20,-0.0 0.000 360.0 360.0 360.0-147.4 16.8 31.8 29.9 10 12 A X 0 0 45 -6,-2.7 -7,-2.6 -9,-0.1 -6,-2.5 -0.469 360.0 360.0 79.7 360.0 17.5 30.6 26.3 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 0 144 0, 0.0 9,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-126.3 -0.1 25.1 38.5 13 2 B X + 0 0 160 2,-0.1 8,-0.1 0, 0.0 0, 0.0 0.524 360.0 83.0 119.6 10.3 3.2 23.6 39.4 14 3 B N S S- 0 0 32 7,-2.5 2,-0.4 1,-0.2 0, 0.0 0.848 71.7-133.6-114.8 -59.1 5.7 25.9 37.6 15 4 B X + 0 0 40 6,-2.4 6,-2.7 11,-0.1 2,-0.3 -0.978 30.0 158.5 134.1-127.1 6.7 29.2 39.2 16 5 B X B -B 27 0B 10 11,-2.6 11,-2.6 -2,-0.4 9,-0.1 -0.981 39.0-147.6 142.3-149.6 7.0 32.7 37.7 17 6 B X 0 0 128 -2,-0.3 -1,-0.2 9,-0.3 0, 0.0 0.626 360.0 360.0 -99.8 147.2 7.0 35.5 38.6 18 7 B X 0 0 151 -3,-0.2 -1,-0.1 -2,-0.1 18,-0.0 -0.377 360.0 360.0 -89.7 360.0 5.3 37.2 35.7 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 46 0, 0.0 -4,-0.2 0, 0.0 20,-0.0 0.000 360.0 360.0 360.0-146.5 2.6 31.2 36.7 21 12 B X 0 0 43 -6,-2.7 -7,-2.5 -9,-0.1 -6,-2.4 -0.421 360.0 360.0 77.5 360.0 1.9 29.4 40.0 22 !* 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 23 1 C X 0 0 145 0, 0.0 9,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-124.6 18.8 37.3 40.4 24 2 C X + 0 0 165 2,-0.1 8,-0.1 0, 0.0 0, 0.0 0.594 360.0 87.7 123.4 19.6 15.3 38.5 41.3 25 3 C N - 0 0 28 7,-2.6 2,-0.4 1,-0.2 0, 0.0 0.837 69.7-132.9-119.5 -61.2 13.1 36.5 38.9 26 4 C X + 0 0 39 6,-2.4 6,-2.6 -11,-0.0 2,-0.3 -0.985 30.8 156.5 133.4-128.2 11.9 33.0 39.8 27 5 C X B -B 16 0B 10 -11,-2.6 -11,-2.6 -2,-0.4 -13,-0.1 -0.981 40.5-147.2 143.1-152.8 11.9 29.8 37.8 28 6 C X 0 0 119 -2,-0.3 -1,-0.2 -13,-0.3 0, 0.0 0.589 360.0 360.0-102.4 146.2 11.8 26.9 38.1 29 7 C X 0 0 149 -3,-0.2 -1,-0.1 -2,-0.0 -26,-0.0 -0.362 360.0 360.0 -89.5 360.0 13.9 25.8 35.1 30 ! 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 31 11 C X 0 0 41 0, 0.0 -4,-0.2 0, 0.0 -24,-0.0 0.000 360.0 360.0 360.0-147.9 16.2 31.5 37.4 32 12 C X 0 0 46 -6,-2.6 -7,-2.6 -9,-0.1 -6,-2.4 -0.432 360.0 360.0 75.4 360.0 16.7 32.7 41.0 33 !* 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 34 1 D X 0 0 142 0, 0.0 9,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-125.7 0.6 38.4 27.6 35 2 D X + 0 0 161 2,-0.1 8,-0.1 0, 0.0 0, 0.0 0.518 360.0 87.9 123.4 12.3 4.0 39.8 26.7 36 3 D N S S- 0 0 30 7,-2.5 2,-0.4 1,-0.2 0, 0.0 0.856 70.4-132.9-115.5 -58.8 6.3 37.4 28.7 37 4 D X + 0 0 40 6,-2.5 6,-2.6 -33,-0.1 2,-0.3 -0.975 30.5 157.8 134.2-126.2 7.5 34.1 27.2 38 5 D X B -A 5 0A 11 -33,-2.7 -33,-2.6 -2,-0.4 -35,-0.1 -0.987 39.5-147.0 141.5-152.2 7.5 30.7 28.6 39 6 D X 0 0 123 -2,-0.3 -1,-0.2 -35,-0.3 0, 0.0 0.606 360.0 360.0-101.6 147.2 7.6 27.8 27.8 40 7 D X 0 0 150 -3,-0.2 -1,-0.1 -2,-0.0 -26,-0.0 -0.389 360.0 360.0 -90.0 360.0 5.5 26.2 30.5 41 ! 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 42 11 D X 0 0 41 0, 0.0 -4,-0.2 0, 0.0 -24,-0.0 0.000 360.0 360.0 360.0-145.5 3.2 32.2 29.3 43 12 D X 0 0 46 -6,-2.6 -7,-2.5 -9,-0.1 -6,-2.5 -0.375 360.0 360.0 70.0 360.0 2.7 34.0 26.0