==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC 08-SEP-04 1W7Q . COMPND 2 MOLECULE: FEGLYMYCIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES SP.; . AUTHOR G.BUNKOCZI,L.VERTESY,G.M.SHELDRICK . 78 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6693.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 58 74.4 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 . 50 64.1 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 . 2 2.6 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 . 4 5.1 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 . 2 2.6 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 3 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 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 0 188 0, 0.0 2,-0.3 0, 0.0 26,-0.2 0.000 360.0 360.0 360.0-162.5 14.8 51.7 18.0 2 2 A X E -A 26 0A 135 24,-2.1 24,-2.8 2,-0.1 2,-0.5 -0.998 360.0 -43.2 158.4-151.6 11.5 51.1 16.4 3 3 A V E S+A 25 0A 81 -2,-0.3 2,-0.3 22,-0.2 22,-0.2 -0.924 77.5 57.3-123.8 130.0 9.4 51.2 13.2 4 4 A X E S-A 24 0A 132 20,-2.8 20,-2.9 -2,-0.5 2,-0.4 -0.972 85.9 -35.4 154.8-146.5 9.2 53.8 10.5 5 5 A X E S+A 23 0A 132 -2,-0.3 2,-0.3 18,-0.3 18,-0.2 -0.969 80.8 84.1-119.9 125.4 11.5 55.7 8.0 6 6 A X E -A 22 0A 127 16,-2.4 16,-2.3 -2,-0.4 2,-0.4 -0.913 67.0 -70.4 169.5-150.1 15.1 56.7 8.9 7 7 A X E +A 21 0A 85 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.999 67.6 69.1-145.2 135.6 18.6 55.3 9.0 8 8 A X E S-A 20 0A 116 12,-2.5 12,-2.3 -2,-0.4 2,-0.4 -0.968 79.9 -27.4 155.4-141.8 20.6 52.9 11.1 9 9 A V E S+A 19 0A 37 18,-0.4 18,-2.4 -2,-0.3 2,-0.3 -0.923 86.5 61.2-115.0 128.0 20.7 49.1 11.6 10 10 A X E S-AB 18 26A 90 8,-2.4 8,-2.6 -2,-0.4 2,-0.5 -0.968 89.7 -37.3 161.2-140.0 17.8 46.6 11.1 11 11 A X E +AB 17 25A 74 14,-2.6 14,-2.3 -2,-0.3 2,-0.3 -0.982 69.7 141.0-122.0 117.0 15.4 45.5 8.3 12 12 A F E AB 16 24A 0 4,-2.1 4,-1.6 -2,-0.5 12,-0.2 -0.973 360.0 360.0-154.9 164.7 14.3 48.1 5.8 13 13 A D 0 0 93 10,-1.9 10,-2.7 -2,-0.3 19,-0.1 -0.969 360.0 360.0-145.1 360.0 13.6 48.8 2.2 14 !* 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 15 1 B X 0 0 32 0, 0.0 16,-1.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-146.4 16.5 46.4 1.0 16 2 B X E -AC 12 30A 79 -4,-1.6 -4,-2.1 14,-0.3 2,-0.6 -0.975 360.0 -18.8 166.4-147.2 17.1 43.8 3.7 17 3 B V E S+A 11 0A 60 12,-1.2 2,-0.3 -2,-0.3 -6,-0.2 -0.764 94.9 64.3 -95.2 117.6 19.0 43.2 6.9 18 4 B X E S-A 10 0A 125 -8,-2.6 -8,-2.4 -2,-0.6 2,-0.4 -0.961 87.0 -47.1 164.4-154.6 22.0 45.6 7.3 19 5 B X E S+A 9 0A 113 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.984 79.8 76.6-118.2 132.6 22.9 49.2 7.8 20 6 B X E S-A 8 0A 95 -12,-2.3 -12,-2.5 -2,-0.4 2,-0.4 -0.948 71.3 -60.7 158.8-155.3 21.4 52.0 5.6 21 7 B X E +A 7 0A 85 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.982 66.6 76.5-133.5 136.7 18.3 54.1 5.1 22 8 B X E S-A 6 0A 104 -16,-2.3 -16,-2.4 -2,-0.4 2,-0.5 -0.971 76.2 -37.8 163.6-150.3 14.6 53.4 4.2 23 9 B V E S+A 5 0A 41 -10,-2.7 -10,-1.9 -2,-0.3 2,-0.3 -0.913 85.5 64.5-107.5 123.8 11.4 52.1 5.7 24 10 B X E S-AB 4 12A 95 -20,-2.9 -20,-2.8 -2,-0.5 2,-0.4 -0.945 85.0 -31.9 165.1-148.3 11.3 49.2 8.3 25 11 B X E -AB 3 11A 73 -14,-2.3 -14,-2.6 -2,-0.3 2,-0.4 -0.954 47.5-170.0-112.2 126.8 12.4 48.2 11.7 26 12 B F E AB 2 10A 9 -24,-2.8 -24,-2.1 -2,-0.4 -16,-0.3 -0.959 360.0 360.0-119.6 135.3 15.6 49.6 13.3 27 13 B D 0 0 104 -18,-2.4 -18,-0.4 -2,-0.4 -2,-0.0 -0.863 360.0 360.0-135.5 360.0 17.2 48.4 16.5 28 !* 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 29 1 C X 0 0 28 0, 0.0 -12,-1.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-145.4 22.2 43.8 2.5 30 2 C X E -CD 16 82A 80 52,-2.0 52,-2.6 -14,-0.2 2,-0.5 -0.926 360.0 -22.7 162.9-149.1 19.4 42.2 0.5 31 3 C V E S+ D 0 81A 56 -16,-1.7 2,-0.3 -2,-0.3 50,-0.2 -0.901 94.7 57.6-102.9 122.7 17.5 42.7 -2.8 32 4 C X E S- D 0 80A 131 48,-2.4 48,-2.5 -2,-0.5 2,-0.4 -0.952 90.2 -34.6 162.0-143.1 17.7 46.1 -4.4 33 5 C X E S+ D 0 79A 116 -2,-0.3 2,-0.3 46,-0.2 46,-0.2 -0.889 80.6 80.5-114.0 140.5 20.3 48.5 -5.7 34 6 C X E - D 0 78A 94 44,-2.6 44,-2.7 -2,-0.4 2,-0.3 -0.984 66.0 -72.0 158.3-153.4 23.7 49.1 -4.1 35 7 C X E + D 0 77A 86 -2,-0.3 2,-0.3 42,-0.2 42,-0.2 -0.998 65.1 70.2-144.4 139.1 27.3 47.6 -3.9 36 8 C X E S- D 0 76A 113 40,-2.4 40,-2.4 -2,-0.3 2,-0.5 -0.966 80.7 -27.2 155.4-138.6 29.1 44.6 -2.3 37 9 C V E S+ D 0 75A 47 46,-2.6 46,-2.4 -2,-0.3 2,-0.3 -0.930 87.9 66.6-120.8 127.4 29.2 40.8 -2.9 38 10 C X E S-ED 82 74A 101 36,-2.8 36,-3.1 -2,-0.5 2,-0.5 -0.955 88.1 -37.9 166.2-139.6 26.4 38.8 -4.4 39 11 C X E -ED 81 73A 74 42,-2.3 42,-2.8 -2,-0.3 2,-0.3 -0.995 50.0-170.9-123.9 125.9 24.6 38.6 -7.8 40 12 C F E ED 80 72A 0 32,-1.9 32,-1.4 -2,-0.5 40,-0.3 -0.948 360.0 360.0-119.6 130.8 23.9 41.7 -9.9 41 13 C D 0 0 112 38,-3.0 38,-0.3 -2,-0.3 31,-0.0 -0.373 360.0 360.0 -61.1 360.0 21.8 41.9 -13.1 42 !* 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 43 1 D X 0 0 191 0, 0.0 2,-0.3 0, 0.0 26,-0.2 0.000 360.0 360.0 360.0-165.3 37.4 38.7 -29.8 44 2 D X E -F 68 0B 135 24,-1.9 24,-3.1 2,-0.0 2,-0.4 -0.979 360.0 -42.6 162.3-151.9 38.5 35.5 -28.3 45 3 D V E S+F 67 0B 74 -2,-0.3 2,-0.3 22,-0.2 22,-0.2 -0.862 77.8 57.5-118.9 133.6 39.6 33.8 -25.0 46 4 D X E S-F 66 0B 133 20,-2.4 20,-3.0 -2,-0.4 2,-0.4 -0.988 85.0 -36.0 155.1-140.4 42.0 34.9 -22.3 47 5 D X E S+F 65 0B 126 -2,-0.3 2,-0.3 18,-0.2 18,-0.2 -0.967 80.1 79.3-126.3 134.1 42.4 37.8 -19.9 48 6 D X E -F 64 0B 123 16,-2.6 16,-2.8 -2,-0.4 2,-0.4 -0.944 67.8 -61.7 162.5-155.6 41.5 41.3 -20.7 49 7 D X E +F 63 0B 83 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.993 67.9 68.9-140.6 140.1 38.6 43.8 -21.0 50 8 D X E S-F 62 0B 118 12,-2.4 12,-2.8 -2,-0.4 2,-0.4 -0.972 80.8 -33.0 156.5-146.4 35.5 44.2 -23.0 51 9 D V E S+F 61 0B 36 18,-0.4 18,-2.5 -2,-0.3 2,-0.3 -0.913 85.4 69.0-112.5 135.6 32.1 42.4 -23.4 52 10 D X E S-FG 60 68B 81 8,-2.4 8,-2.4 -2,-0.4 2,-0.5 -0.969 88.1 -41.4 159.7-146.7 31.5 38.7 -22.9 53 11 D X E S+FG 59 67B 77 14,-2.3 14,-2.6 -2,-0.3 2,-0.3 -0.987 70.9 140.5-117.0 121.2 31.6 36.1 -20.2 54 12 D F E FG 58 66B 5 4,-1.9 4,-1.6 -2,-0.5 12,-0.2 -0.961 360.0 360.0-158.4 163.5 34.4 36.5 -17.7 55 13 D D 0 0 93 10,-1.9 10,-2.6 -2,-0.3 19,-0.1 -0.987 360.0 360.0-136.8 360.0 35.4 36.3 -14.1 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 E X 0 0 49 0, 0.0 16,-1.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-148.4 31.9 37.5 -12.9 58 2 E X E -F 54 0B 77 -4,-1.6 -4,-1.9 14,-0.3 2,-0.6 -0.949 360.0 -20.2 169.2-149.4 29.3 36.8 -15.6 59 3 E V E S+F 53 0B 57 12,-0.4 2,-0.3 -2,-0.3 -6,-0.2 -0.850 94.4 63.6 -92.4 120.7 27.9 38.1 -18.9 60 4 E X E S-F 52 0B 128 -8,-2.4 -8,-2.4 -2,-0.6 2,-0.4 -0.955 86.9 -48.5 165.9-147.2 28.5 41.8 -19.4 61 5 E X E S+F 51 0B 127 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.3 -0.955 79.4 79.4-122.6 136.2 31.3 44.4 -19.8 62 6 E X E S-F 50 0B 102 -12,-2.8 -12,-2.4 -2,-0.4 2,-0.4 -0.988 72.0 -58.2 163.0-154.2 34.4 44.6 -17.5 63 7 E X E +F 49 0B 89 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.947 68.6 73.5-127.0 142.7 37.7 42.9 -17.0 64 8 E X E S-F 48 0B 99 -16,-2.8 -16,-2.6 -2,-0.4 2,-0.5 -0.990 75.0 -38.0 155.9-150.9 38.9 39.4 -16.2 65 9 E V E S+F 47 0B 44 -10,-2.6 -10,-1.9 -2,-0.3 2,-0.3 -0.935 84.4 65.5-116.2 123.6 39.4 35.9 -17.7 66 10 E X E S-FG 46 54B 95 -20,-3.0 -20,-2.4 -2,-0.5 2,-0.4 -0.941 85.6 -34.1 166.9-144.2 36.9 34.4 -20.1 67 11 E X E -FG 45 53B 77 -14,-2.6 -14,-2.3 -2,-0.3 2,-0.4 -0.965 46.7-166.3-119.5 132.7 35.6 34.9 -23.7 68 12 E F E FG 44 52B 12 -24,-3.1 -24,-1.9 -2,-0.4 -16,-0.2 -0.942 360.0 360.0-124.0 136.5 35.2 38.4 -25.2 69 13 E D 0 0 106 -18,-2.5 -18,-0.4 -2,-0.4 -2,-0.0 -0.863 360.0 360.0-141.9 360.0 33.2 39.1 -28.4 70 !* 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 71 1 F X 0 0 55 0, 0.0 -12,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-164.8 26.5 41.3 -14.3 72 2 F X E -D 40 0A 91 -32,-1.4 -32,-1.9 -14,-0.2 2,-0.6 -0.999 360.0 -29.5 148.2-153.0 26.8 37.9 -12.5 73 3 F V E S+D 39 0A 57 -16,-1.6 2,-0.3 -2,-0.3 -34,-0.2 -0.817 96.0 57.8-100.4 122.0 28.1 36.5 -9.1 74 4 F X E S-D 38 0A 126 -36,-3.1 -36,-2.8 -2,-0.6 2,-0.4 -0.986 92.2 -34.6 163.4-143.6 31.0 38.3 -7.5 75 5 F X E S+D 37 0A 116 -2,-0.3 2,-0.3 -38,-0.2 -38,-0.2 -0.893 78.0 87.0-112.3 144.0 31.7 41.8 -6.3 76 6 F X E -D 36 0A 94 -40,-2.4 -40,-2.4 -2,-0.4 2,-0.3 -0.960 62.0 -78.2 160.8-157.7 30.4 45.0 -7.8 77 7 F X E +D 35 0A 72 -2,-0.3 2,-0.4 -42,-0.2 -42,-0.2 -0.983 66.2 65.8-145.3 144.6 27.5 47.4 -8.0 78 8 F X E S-D 34 0A 124 -44,-2.7 -44,-2.6 -2,-0.3 2,-0.4 -0.995 83.7 -23.9 146.6-136.9 24.1 47.7 -9.5 79 9 F V E S+D 33 0A 36 -2,-0.4 -38,-3.0 -38,-0.3 2,-0.3 -0.929 87.1 69.7-116.2 130.5 20.8 45.8 -9.0 80 10 F X E S-DE 32 40A 79 -48,-2.5 -48,-2.4 -2,-0.4 2,-0.4 -0.903 87.7 -46.2 162.1-140.7 20.5 42.3 -7.6 81 11 F X E +DE 31 39A 79 -42,-2.8 -42,-2.3 -2,-0.3 2,-0.3 -0.994 68.5 139.5-126.5 130.3 21.0 40.6 -4.2 82 12 F F E DE 30 38A 0 -52,-2.6 -52,-2.0 -2,-0.4 -44,-0.2 -0.996 360.0 360.0-164.4 163.8 24.1 41.4 -2.2 83 13 F D 0 0 84 -46,-2.4 -46,-2.6 -2,-0.3 -65,-0.1 -0.947 360.0 360.0-133.2 360.0 25.6 42.0 1.1