==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC/PEPTIDE 19-OCT-01 1GO6 . COMPND 2 MOLECULE: BALHIMYCIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AMYCOLATOPSIS SP.; . AUTHOR C.LEHMANN,G.BUNKOCZI,L.VERTESY,G.M.SHELDRICK . 68 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6597.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 29 42.6 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 . 18 26.5 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 . 4 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 5.9 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 . 9 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 1 0 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 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 54 0, 0.0 10,-0.0 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0-117.0 75.9 19.1 38.4 2 2 A X + 0 0 131 2,-0.1 37,-0.1 37,-0.0 38,-0.1 0.535 360.0 91.7 122.3 8.5 75.8 20.5 41.9 3 3 A N - 0 0 1 8,-1.6 2,-0.4 1,-0.2 43,-0.0 0.891 67.3-138.7-104.8 -55.4 75.8 17.5 44.1 4 4 A X + 0 0 39 7,-2.8 7,-2.4 48,-0.1 2,-0.3 -0.989 29.1 158.1 121.5-132.7 79.2 16.2 45.2 5 5 A X B -AB 10 53A 20 48,-2.3 48,-2.4 -2,-0.4 5,-0.1 -0.970 43.3-143.0 147.3-162.7 80.4 12.7 45.4 6 6 A X 0 0 95 3,-0.6 4,-0.2 -2,-0.3 -1,-0.2 0.507 360.0 360.0-110.2 147.3 82.8 10.9 45.5 7 7 A X 0 0 82 2,-2.0 36,-0.0 -3,-0.2 -1,-0.0 -0.383 360.0 360.0 -95.3 360.0 81.7 7.9 43.6 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 K 0 0 147 0, 0.0 -2,-2.0 0, 0.0 -3,-0.6 0.000 360.0 360.0 360.0 135.4 84.2 11.1 40.2 10 2 B X B AC 5 22A 2 12,-1.9 12,-1.9 -4,-0.2 -5,-0.2 -0.918 360.0 360.0 136.4-165.1 81.2 13.3 40.9 11 3 B X 0 0 2 -7,-2.4 -7,-2.8 -2,-0.3 -8,-1.6 -0.969 360.0 360.0 150.4 360.0 80.4 16.9 40.4 12 !* 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 13 1 C X 0 0 50 0, 0.0 10,-0.0 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0-114.6 77.1 6.5 38.3 14 2 C X + 0 0 134 2,-0.1 13,-0.1 13,-0.0 14,-0.1 0.529 360.0 92.6 119.7 7.3 77.3 5.1 34.8 15 3 C N - 0 0 0 8,-1.6 2,-0.4 1,-0.2 19,-0.0 0.898 67.2-138.7-103.7 -55.8 76.7 8.1 32.6 16 4 C X + 0 0 38 7,-2.8 7,-2.2 44,-0.1 2,-0.3 -0.991 29.5 157.9 122.3-132.8 79.9 9.9 31.4 17 5 C X B -DE 22 61A 20 44,-2.4 44,-2.4 -2,-0.4 5,-0.1 -0.968 43.4-141.9 147.1-162.0 80.3 13.6 31.2 18 6 C X 0 0 92 3,-0.6 4,-0.2 -2,-0.3 -1,-0.2 0.476 360.0 360.0-108.3 146.0 82.3 15.9 31.1 19 7 C X 0 0 78 2,-2.1 3,-0.1 -3,-0.2 -2,-0.1 0.658 360.0 360.0 -91.6 360.0 80.7 18.6 33.1 20 !* 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 21 1 D K 0 0 149 0, 0.0 -2,-2.1 0, 0.0 -3,-0.6 0.000 360.0 360.0 360.0 134.0 83.8 15.9 36.5 22 2 D X B CD 10 17A 2 -12,-1.9 -12,-1.9 -4,-0.2 -5,-0.2 -0.893 360.0 360.0 136.4-163.0 81.1 13.2 35.8 23 3 D X 0 0 0 -7,-2.2 -7,-2.8 -2,-0.3 -8,-1.6 -0.978 360.0 360.0 148.5 360.0 81.1 9.5 36.3 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 E X 0 0 145 0, 0.0 10,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-157.7 70.3 4.1 31.3 26 2 E X + 0 0 170 2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.567 360.0 80.3 101.4 8.2 69.2 3.2 34.8 27 3 E N S S- 0 0 34 8,-2.0 2,-0.4 1,-0.3 -12,-0.1 0.809 78.5-129.7-121.1 -49.8 71.2 6.0 36.5 28 4 E X + 0 0 37 7,-2.9 7,-2.3 -14,-0.1 2,-0.3 -0.988 31.9 155.1 127.8-137.3 69.8 9.5 36.5 29 5 E X B -FG 34 41B 1 12,-2.4 12,-2.3 -2,-0.4 5,-0.2 -0.957 41.5-143.7 149.0-162.8 71.2 12.8 35.5 30 6 E X 0 0 80 3,-0.6 4,-0.2 -2,-0.3 -1,-0.2 0.480 360.0 360.0-110.5 143.9 70.6 15.6 34.6 31 7 E X 0 0 86 2,-2.6 -12,-0.0 -3,-0.1 -14,-0.0 -0.498 360.0 360.0 -93.5 360.0 73.5 16.5 32.3 32 !* 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 33 1 F K 0 0 128 0, 0.0 -2,-2.6 0, 0.0 -3,-0.6 0.000 360.0 360.0 360.0 127.3 69.2 14.7 29.4 34 2 F X B F 29 0B 24 -4,-0.2 -5,-0.2 -5,-0.2 -19,-0.0 -0.932 360.0 360.0 151.6-157.3 70.0 11.5 31.3 35 3 F X 0 0 33 -7,-2.3 -7,-2.9 -2,-0.3 -8,-2.0 -0.972 360.0 360.0 143.9 360.0 68.0 8.4 32.0 36 !* 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 37 1 G X 0 0 145 0, 0.0 10,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-151.1 68.7 20.2 45.4 38 2 G X + 0 0 77 9,-2.6 0, 0.0 2,-0.1 0, 0.0 0.531 360.0 79.1 102.0 9.9 67.5 20.9 41.9 39 3 G N S S- 0 0 35 1,-0.2 2,-0.4 -37,-0.1 -36,-0.1 0.819 78.4-129.5-123.3 -51.7 70.0 18.6 40.2 40 4 G X + 0 0 38 -38,-0.1 7,-2.4 -12,-0.1 2,-0.3 -0.987 31.3 156.4 129.6-138.5 69.2 14.8 40.2 41 5 G X B -GH 29 46B 1 -12,-2.3 -12,-2.4 -2,-0.4 5,-0.2 -0.955 40.4-145.3 151.4-161.7 71.2 11.8 41.1 42 6 G X 0 0 83 3,-0.6 4,-0.2 -2,-0.3 -1,-0.2 0.508 360.0 360.0-112.5 143.3 71.1 9.0 42.0 43 7 G X 0 0 89 2,-2.2 -36,-0.0 -3,-0.1 -38,-0.0 -0.288 360.0 360.0 -93.1 360.0 74.1 8.6 44.3 44 !* 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 45 1 H K 0 0 160 0, 0.0 -2,-2.2 0, 0.0 -3,-0.6 0.000 360.0 360.0 360.0 134.3 69.9 9.7 47.3 46 2 H X B H 41 0B 34 -4,-0.2 -5,-0.2 -5,-0.2 -43,-0.0 -0.920 360.0 360.0 141.9-163.4 69.9 13.0 45.4 47 3 H X 0 0 29 -7,-2.4 -9,-2.6 -2,-0.3 -6,-0.1 0.482 360.0 360.0 147.9 360.0 67.3 15.6 44.6 48 !* 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 49 1 I X 0 0 215 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-148.8 84.5 11.5 57.4 50 2 I X + 0 0 187 2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.411 360.0 80.1 124.2 2.7 86.2 10.4 54.3 51 3 I N S S- 0 0 110 1,-0.3 2,-0.4 -46,-0.0 0, 0.0 0.845 78.1-131.1-110.0 -49.2 83.3 10.3 51.9 52 4 I X + 0 0 64 -48,-0.0 2,-0.3 3,-0.0 -1,-0.3 -0.996 34.8 153.9 122.9-132.4 82.2 13.6 50.5 53 5 I X B -B 5 0A 34 -48,-2.4 -48,-2.3 -2,-0.4 2,-0.0 -0.971 44.7-138.9 147.3-156.6 78.7 15.0 50.4 54 6 I X 0 0 127 -2,-0.3 -1,-0.2 -50,-0.3 0, 0.0 0.502 360.0 360.0-105.1 144.0 77.2 17.6 50.4 55 7 I X 0 0 250 -3,-0.2 -1,-0.0 -2,-0.0 -2,-0.0 -0.448 360.0 360.0 -92.3 360.0 74.3 16.8 52.7 56 !* 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 57 1 K X 0 0 233 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-117.9 84.5 15.5 19.0 58 2 K X + 0 0 189 2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.466 360.0 79.7 130.6 2.6 85.6 17.1 22.4 59 3 K N S S- 0 0 123 1,-0.3 2,-0.4 -42,-0.0 0, 0.0 0.895 75.3-133.2-109.0 -51.9 82.5 16.5 24.6 60 4 K X + 0 0 62 -44,-0.0 2,-0.3 0, 0.0 -1,-0.3 -0.998 34.0 154.4 122.9-132.1 82.2 13.0 26.1 61 5 K X B -E 17 0A 33 -44,-2.4 -44,-2.4 -2,-0.4 2,-0.1 -0.971 44.6-139.3 147.0-154.7 79.1 11.0 26.2 62 6 K X 0 0 122 -2,-0.3 -1,-0.2 -46,-0.3 0, 0.0 0.493 360.0 360.0-102.8 145.4 78.1 8.1 26.3 63 7 K X 0 0 250 -3,-0.2 -1,-0.0 -2,-0.1 -2,-0.0 -0.473 360.0 360.0 -93.8 360.0 75.2 8.2 23.9 64 !* 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 65 1 M X 0 0 225 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-131.1 60.7 32.1 28.5 66 2 M X + 0 0 169 2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.464 360.0 78.4 126.1 6.9 61.0 33.5 32.0 67 3 M N S S- 0 0 114 1,-0.2 2,-0.4 10,-0.0 0, 0.0 0.854 73.3-134.8-113.0 -54.5 58.4 31.7 34.1 68 4 M X + 0 0 67 8,-0.1 2,-0.3 0, 0.0 10,-0.2 -0.995 31.3 153.9 126.4-135.0 59.3 28.2 35.2 69 5 M X B -I 77 0C 94 8,-2.3 8,-2.2 -2,-0.4 6,-0.0 -0.970 43.9-138.0 149.8-156.6 57.2 25.1 35.2 70 6 M X 0 0 137 -2,-0.3 -1,-0.2 6,-0.3 0, 0.0 0.503 360.0 360.0-106.5 145.7 57.4 22.1 35.1 71 7 M X 0 0 254 -3,-0.2 -1,-0.0 -2,-0.0 -2,-0.0 -0.367 360.0 360.0 -92.9 360.0 54.6 21.2 32.7 72 !* 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 73 1 O X 0 0 222 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-122.2 58.0 19.5 47.0 74 2 O X + 0 0 102 2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.495 360.0 80.4 135.9 1.3 58.2 18.4 43.5 75 3 O N S S- 0 0 113 1,-0.2 2,-0.4 -6,-0.0 0, 0.0 0.884 70.8-135.5-105.6 -60.3 56.5 21.0 41.3 76 4 O X + 0 0 49 -8,-0.1 2,-0.3 0, 0.0 -6,-0.3 -0.997 29.0 158.5 130.3-134.6 58.4 24.1 40.4 77 5 O X B -I 69 0C 95 -8,-2.2 -8,-2.3 -2,-0.4 2,-0.0 -0.957 41.8-138.8 151.7-162.0 57.4 27.7 40.3 78 6 O X 0 0 137 -2,-0.3 -1,-0.2 -10,-0.2 0, 0.0 0.511 360.0 360.0-109.6 150.3 58.3 30.5 40.4 79 7 O X 0 0 255 -3,-0.1 -1,-0.0 -2,-0.0 -2,-0.0 -0.407 360.0 360.0 -95.3 360.0 55.9 32.3 42.6