==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 12-DEC-11 3VMI . COMPND 2 MOLECULE: TERMINAL OXYGENASE COMPONENT OF CARBAZOLE; . SOURCE 2 ORGANISM_SCIENTIFIC: JANTHINOBACTERIUM; . AUTHOR Y.ASHIKAWA,H.NOJIRI . 1481 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 56829.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1036 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 418 28.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 26 1.8 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 . 3 0.2 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 . 138 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 190 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 204 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 1.6 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 11 11 3 0 2 3 0 0 0 6 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 PARALLEL BRIDGES PER LADDER . 12 9 15 19 10 10 0 1 2 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 7 10 5 3 1 3 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 M 0 0 106 0, 0.0 378,-0.1 0, 0.0 20,-0.0 0.000 360.0 360.0 360.0 90.9 24.1 -12.1 38.8 2 2 A A + 0 0 79 2,-0.1 377,-0.1 376,-0.1 4,-0.1 0.882 360.0 125.4 79.2 44.2 21.2 -12.6 36.4 3 3 A N + 0 0 36 17,-0.1 2,-0.3 2,-0.1 18,-0.0 0.563 66.9 50.4-103.5 -14.8 22.0 -9.8 33.9 4 4 A V S S- 0 0 10 1,-0.0 5,-0.1 343,-0.0 -2,-0.1 -0.919 102.1 -79.9-128.2 152.4 21.9 -12.1 30.9 5 5 A D >> - 0 0 98 -2,-0.3 4,-2.0 1,-0.2 3,-1.3 -0.224 40.2-134.8 -46.7 123.3 19.6 -14.6 29.4 6 6 A E H 3> S+ 0 0 120 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.800 103.4 61.5 -55.7 -31.2 20.2 -17.8 31.4 7 7 A A H 3> S+ 0 0 57 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.834 106.4 45.8 -67.0 -30.8 20.2 -19.8 28.2 8 8 A I H X> S+ 0 0 15 -3,-1.3 4,-1.6 2,-0.2 3,-0.7 0.919 109.3 53.2 -76.8 -44.4 23.2 -17.8 27.0 9 9 A L H 3< S+ 0 0 14 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.887 105.2 56.8 -57.7 -37.0 25.1 -18.1 30.3 10 10 A K H 3< S+ 0 0 146 -4,-2.1 3,-0.3 1,-0.2 -1,-0.3 0.844 105.7 51.3 -62.3 -34.2 24.6 -21.9 30.1 11 11 A R H << S+ 0 0 27 -4,-0.8 2,-1.2 -3,-0.7 3,-0.2 0.829 99.9 63.1 -73.3 -34.0 26.4 -21.9 26.7 12 12 A V >< + 0 0 0 -4,-1.6 3,-1.2 1,-0.2 4,-0.3 -0.440 58.6 156.7 -94.0 64.4 29.5 -19.9 27.8 13 13 A K T 3 + 0 0 104 -2,-1.2 3,-0.3 1219,-0.4 -1,-0.2 0.732 66.6 62.6 -59.2 -26.0 30.8 -22.4 30.4 14 14 A G T 3 S+ 0 0 20 1218,-1.1 -1,-0.2 1219,-0.3 356,-0.1 0.771 127.7 2.9 -73.3 -27.1 34.3 -21.0 30.1 15 15 A W S <> S+ 0 0 0 -3,-1.2 4,-2.1 1218,-0.2 3,-0.2 -0.087 72.1 146.3-154.6 51.7 33.4 -17.6 31.4 16 16 A A H > S+ 0 0 28 -4,-0.3 4,-2.1 -3,-0.3 5,-0.2 0.884 78.2 53.5 -57.9 -42.5 29.7 -17.2 32.4 17 17 A P H > S+ 0 0 52 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.892 108.7 50.0 -62.0 -38.2 30.4 -14.7 35.2 18 18 A Y H 4 S+ 0 0 0 -3,-0.2 3,-0.3 2,-0.2 -2,-0.2 0.936 111.7 47.3 -64.1 -47.4 32.3 -12.5 32.8 19 19 A V H < S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 3,-0.2 0.834 112.9 50.2 -62.8 -32.3 29.5 -12.5 30.3 20 20 A D H < S+ 0 0 12 -4,-2.1 2,-2.2 -5,-0.2 3,-0.4 0.763 88.5 86.6 -77.6 -23.6 27.1 -11.9 33.1 21 21 A A >< + 0 0 0 -4,-1.4 3,-1.2 -3,-0.3 -1,-0.2 -0.207 45.5 141.9 -75.9 50.8 29.2 -8.9 34.4 22 22 A K T 3 S+ 0 0 27 -2,-2.2 149,-0.3 1,-0.3 -1,-0.2 0.825 75.3 43.3 -59.7 -36.8 27.5 -6.4 32.0 23 23 A L T 3 S- 0 0 6 354,-0.6 -1,-0.3 -3,-0.4 2,-0.1 0.397 120.4-108.1 -91.2 0.7 27.5 -3.7 34.7 24 24 A G < - 0 0 0 -3,-1.2 353,-2.1 353,-0.2 2,-0.5 -0.387 44.9 -50.4 100.9 179.2 31.1 -4.5 35.8 25 25 A F B -A 376 0A 0 242,-0.2 3,-0.3 351,-0.2 351,-0.3 -0.849 48.7-142.4-100.8 124.1 32.6 -6.1 38.9 26 26 A R S S+ 0 0 10 349,-1.8 348,-0.3 -2,-0.5 112,-0.2 -0.332 77.7 42.3 -76.8 161.6 31.7 -4.9 42.3 27 27 A N S S+ 0 0 31 110,-2.6 2,-0.3 1,-0.3 111,-0.2 0.863 88.7 107.0 68.3 42.5 34.2 -4.7 45.2 28 28 A H E S-B 137 0B 3 109,-0.6 109,-1.7 -3,-0.3 2,-0.3 -0.941 71.6-106.6-140.8 158.8 37.1 -3.2 43.2 29 29 A W E -B 136 0B 8 -2,-0.3 107,-0.2 107,-0.2 97,-0.1 -0.681 35.8-171.7 -87.2 143.6 38.8 0.2 43.1 30 30 A Y E -B 135 0B 3 105,-2.0 105,-2.8 -2,-0.3 2,-0.3 -0.998 21.4-131.5-140.1 133.2 38.1 2.4 40.0 31 31 A P E +B 134 0B 0 0, 0.0 103,-0.2 0, 0.0 264,-0.1 -0.627 30.9 165.8 -80.1 141.0 39.6 5.7 38.9 32 32 A V E - 0 0 3 101,-2.4 2,-0.3 1,-0.5 102,-0.1 0.565 58.4 -7.3-130.1 -19.2 36.9 8.2 37.9 33 33 A M E S-B 133 0B 6 100,-0.8 100,-3.2 264,-0.0 -1,-0.5 -0.963 73.4 -90.2-166.0 172.3 38.5 11.7 37.7 34 34 A F E > -B 132 0B 13 -2,-0.3 3,-2.2 98,-0.2 4,-0.3 -0.690 36.2-116.1 -95.6 149.7 41.7 13.5 38.4 35 35 A S G > S+ 0 0 23 96,-3.0 3,-1.7 -2,-0.3 97,-0.1 0.863 113.7 60.7 -50.4 -42.1 42.4 15.2 41.8 36 36 A K G 3 S+ 0 0 156 95,-0.4 -1,-0.3 1,-0.3 96,-0.1 0.654 92.6 69.1 -64.0 -13.1 42.5 18.6 40.2 37 37 A E G < S+ 0 0 88 -3,-2.2 2,-0.5 1,-0.2 -1,-0.3 0.607 95.1 57.2 -82.1 -11.9 39.0 18.2 39.0 38 38 A I < - 0 0 2 -3,-1.7 2,-0.2 -4,-0.3 -1,-0.2 -0.954 69.4-170.3-126.9 116.3 37.5 18.4 42.5 39 39 A N > - 0 0 84 -2,-0.5 3,-1.9 3,-0.3 18,-0.5 -0.632 39.9 -69.1-102.3 161.9 38.0 21.4 44.8 40 40 A E B 3 S-d 57 0C 82 1,-0.3 18,-0.2 -2,-0.2 -1,-0.1 -0.144 117.0 -0.2 -47.3 128.3 37.3 22.0 48.4 41 41 A G T 3 S+ 0 0 50 16,-3.1 -1,-0.3 1,-0.1 17,-0.1 0.721 100.3 116.4 61.3 24.3 33.5 22.2 49.1 42 42 A E < - 0 0 113 -3,-1.9 -3,-0.3 15,-0.2 -1,-0.1 -0.715 56.3-151.1-124.7 80.3 32.6 21.7 45.5 43 43 A P - 0 0 37 0, 0.0 2,-0.4 0, 0.0 13,-0.2 -0.167 11.4-156.8 -51.4 137.3 30.6 18.4 45.3 44 44 A K E -E 55 0C 79 11,-3.2 11,-2.6 -6,-0.0 2,-0.2 -0.956 2.8-141.7-123.9 139.8 30.9 16.6 42.0 45 45 A T E +E 54 0C 70 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.612 28.2 149.4 -98.6 158.7 28.5 14.1 40.4 46 46 A L E -E 53 0C 16 7,-1.5 7,-3.6 -2,-0.2 2,-0.4 -0.938 37.3-122.5-175.1 159.4 29.2 10.9 38.4 47 47 A K E +E 52 0C 71 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.973 27.9 177.3-117.9 130.7 27.8 7.5 37.7 48 48 A L E > S-E 51 0C 0 3,-2.5 3,-2.1 -2,-0.4 241,-0.3 -0.992 70.7 -9.5-137.1 126.1 29.9 4.3 38.4 49 49 A L T 3 S- 0 0 0 239,-2.8 241,-0.2 -2,-0.4 240,-0.2 0.823 131.4 -54.9 56.4 31.4 28.7 0.7 37.9 50 50 A G T 3 S+ 0 0 12 239,-2.5 2,-0.4 1,-0.3 -1,-0.3 0.360 114.1 119.4 85.7 -4.1 25.2 2.1 37.3 51 51 A E E < -E 48 0C 4 -3,-2.1 -3,-2.5 238,-0.1 2,-0.5 -0.783 62.7-131.4-100.2 134.6 25.2 4.0 40.6 52 52 A N E -E 47 0C 47 -2,-0.4 15,-2.9 -5,-0.2 2,-0.3 -0.729 35.9-176.2 -82.7 124.2 24.8 7.8 40.8 53 53 A L E -EF 46 66C 0 -7,-3.6 -7,-1.5 -2,-0.5 2,-0.4 -0.852 22.4-150.0-124.7 159.5 27.5 9.1 43.2 54 54 A L E -EF 45 65C 1 11,-2.8 11,-2.3 -2,-0.3 2,-0.4 -0.990 12.5-166.7-126.6 133.3 28.5 12.5 44.8 55 55 A V E +EF 44 64C 0 -11,-2.6 -11,-3.2 -2,-0.4 2,-0.3 -0.979 9.4 176.6-124.1 134.7 32.1 13.2 45.7 56 56 A N E - F 0 63C 4 7,-2.3 7,-2.4 -2,-0.4 2,-0.5 -0.951 24.3-136.6-135.9 155.2 33.2 16.2 47.9 57 57 A R E +dF 40 62C 34 -18,-0.5 -16,-3.1 -2,-0.3 2,-0.5 -0.967 24.0 178.0-115.6 119.4 36.5 17.4 49.3 58 58 A I E > S- F 0 61C 10 3,-3.1 3,-1.8 -2,-0.5 -2,-0.0 -0.984 73.0 -12.4-126.3 120.9 36.4 18.6 52.9 59 59 A D T 3 S- 0 0 117 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.888 130.9 -54.7 56.5 40.5 39.5 19.8 54.7 60 60 A G T 3 S+ 0 0 42 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.169 117.7 110.5 82.6 -17.9 41.5 18.4 51.7 61 61 A K E < -F 58 0C 117 -3,-1.8 -3,-3.1 66,-0.0 2,-0.3 -0.670 63.5-127.4 -96.2 145.1 40.0 14.9 52.0 62 62 A L E -F 57 0C 9 -2,-0.3 2,-0.3 -5,-0.2 64,-0.3 -0.681 23.2-176.0 -92.7 142.9 37.6 13.2 49.6 63 63 A Y E -F 56 0C 52 -7,-2.4 -7,-2.3 -2,-0.3 2,-0.4 -0.975 10.0-152.8-134.1 146.1 34.3 11.6 50.6 64 64 A C E +FG 55 124C 4 60,-0.5 60,-1.6 -2,-0.3 2,-0.3 -0.981 14.0 175.5-129.5 126.0 31.8 9.7 48.5 65 65 A L E -FG 54 123C 0 -11,-2.3 -11,-2.8 -2,-0.4 2,-0.3 -0.912 40.8-101.1-122.4 149.5 28.0 9.4 49.1 66 66 A K E -F 53 0C 19 56,-2.3 2,-2.0 -2,-0.3 -13,-0.3 -0.560 32.5-128.8 -70.7 132.6 25.4 7.8 46.9 67 67 A D S S+ 0 0 1 -15,-2.9 2,-0.3 -2,-0.3 -1,-0.1 -0.417 79.7 92.1 -81.9 61.5 23.6 10.5 45.0 68 68 A R S S- 0 0 60 -2,-2.0 7,-0.2 7,-0.2 54,-0.2 -0.814 73.6-128.8-157.2 111.7 20.2 9.3 46.0 69 69 A C > - 0 0 2 5,-3.1 4,-1.1 -2,-0.3 -2,-0.1 -0.339 14.7-135.1 -62.6 140.2 18.2 10.5 49.0 70 70 A L T 4 S+ 0 0 32 2,-0.1 1063,-1.1 3,-0.1 -1,-0.1 0.786 95.6 60.6 -64.7 -30.1 16.9 7.7 51.2 71 71 A H T 4 S- 0 0 2 1061,-0.2 1062,-1.4 1,-0.1 -1,-0.1 0.997 128.6 -8.2 -64.6 -80.3 13.4 9.3 51.4 72 72 A R T 4 S- 0 0 2 1060,-0.2 1050,-0.2 2,-0.1 -2,-0.1 0.193 94.2-110.8-109.0 15.1 11.9 9.7 47.9 73 73 A G < + 0 0 7 -4,-1.1 1049,-0.2 1,-0.2 -3,-0.1 0.632 64.0 148.5 69.6 17.1 14.9 8.6 45.9 74 74 A V - 0 0 1 -6,-0.1 -5,-3.1 1,-0.1 2,-0.4 -0.428 56.1-103.0 -80.4 157.1 15.8 11.9 44.3 75 75 A Q > - 0 0 55 1043,-0.3 3,-1.4 -7,-0.2 4,-0.3 -0.689 21.3-146.9 -79.2 131.3 19.3 12.9 43.4 76 76 A L G > S+ 0 0 1 -2,-0.4 3,-1.4 1,-0.3 15,-0.3 0.836 95.2 69.0 -64.3 -32.6 20.6 15.3 46.1 77 77 A S G > S+ 0 0 30 1,-0.3 3,-0.5 3,-0.1 -1,-0.3 0.487 71.8 86.0 -66.4 -6.3 22.7 16.9 43.3 78 78 A V G < S+ 0 0 72 -3,-1.4 -1,-0.3 1,-0.3 2,-0.2 0.881 119.3 0.4 -62.1 -34.1 19.6 18.3 41.6 79 79 A K G < S- 0 0 72 -3,-1.4 -1,-0.3 -4,-0.3 12,-0.3 -0.704 87.5-145.8-154.4 91.7 20.0 21.2 44.0 80 80 A V < - 0 0 63 -3,-0.5 2,-0.4 -2,-0.2 -3,-0.1 -0.425 17.4-178.5 -67.8 132.5 23.0 20.8 46.3 81 81 A E + 0 0 18 8,-0.4 8,-3.9 -2,-0.2 2,-0.9 -0.843 7.7 173.1-133.4 93.3 22.6 22.3 49.8 82 82 A C + 0 0 60 -2,-0.4 6,-0.2 6,-0.2 3,-0.0 -0.863 6.3 170.7-101.5 97.2 25.7 21.9 51.9 83 83 A K + 0 0 57 -2,-0.9 2,-0.3 1,-0.1 -1,-0.2 0.621 66.5 27.5 -85.0 -16.7 24.6 23.9 55.0 84 84 A T S > S- 0 0 36 3,-0.4 3,-1.5 -3,-0.1 -1,-0.1 -0.956 89.4-108.9-139.2 155.6 27.5 22.9 57.2 85 85 A K T 3 S+ 0 0 135 -2,-0.3 -44,-0.1 1,-0.3 -1,-0.0 0.819 116.7 42.1 -55.3 -34.4 31.0 21.9 56.2 86 86 A S T 3 S+ 0 0 66 13,-0.1 13,-2.1 12,-0.1 14,-0.5 0.326 111.6 55.0 -99.0 7.8 30.5 18.3 57.1 87 87 A T E < -H 98 0D 3 -3,-1.5 -3,-0.4 11,-0.2 2,-0.4 -0.837 56.7-147.9-136.1 172.9 27.0 17.7 55.8 88 88 A I E -H 97 0D 1 9,-1.9 9,-2.6 -2,-0.3 2,-0.5 -0.990 16.8-150.6-140.2 132.2 24.7 17.8 52.8 89 89 A T E -H 96 0D 1 -8,-3.9 -8,-0.4 -2,-0.4 7,-0.2 -0.919 21.1-119.1-110.4 126.2 20.9 18.5 53.0 90 90 A C > - 0 0 2 5,-3.2 4,-1.1 -2,-0.5 -14,-0.1 -0.372 17.0-138.0 -61.5 134.6 18.4 17.2 50.5 91 91 A W T 4 S+ 0 0 1 -12,-0.3 -1,-0.1 -15,-0.3 -11,-0.1 0.660 92.5 59.3 -67.8 -17.3 16.7 20.0 48.7 92 92 A Y T 4 S- 0 0 1 3,-0.1 873,-0.5 1,-0.1 872,-0.3 0.991 130.2 -9.6 -79.4 -70.6 13.3 18.2 49.0 93 93 A H T 4 S- 0 0 2 871,-0.1 16,-0.8 870,-0.1 -2,-0.1 0.091 96.3-109.5-118.2 18.8 12.3 17.6 52.6 94 94 A A < + 0 0 0 -4,-1.1 14,-1.6 1,-0.2 2,-0.2 0.720 50.3 170.9 62.6 28.2 15.7 18.6 54.1 95 95 A W E - 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