==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-JUL-03 1Q0C . COMPND 2 MOLECULE: HOMOPROTOCATECHUATE 2,3-DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BREVIBACTERIUM FUSCUM; . AUTHOR M.W.VETTING,L.P.WACKETT,L.QUE,J.D.LIPSCOMB,D.H.OHLENDORF . 1276 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41553.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 893 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 108 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 332 26.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 16 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 2 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 . 101 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 108 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 1.9 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 4 0 0 3 1 4 0 3 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 12 4 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 . 17 3 0 19 5 8 4 4 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 4 4 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 4 A E 0 0 179 0, 0.0 161,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 123.5 142.3 -23.4 -38.7 2 5 A I - 0 0 10 160,-0.2 2,-0.1 1,-0.1 92,-0.0 -0.629 360.0-128.0 -77.6 131.0 140.4 -20.6 -40.4 3 6 A P - 0 0 81 0, 0.0 -1,-0.1 0, 0.0 166,-0.0 -0.445 16.3-109.6 -80.0 155.0 142.8 -18.6 -42.6 4 7 A K - 0 0 141 -2,-0.1 162,-0.0 1,-0.1 161,-0.0 -0.744 37.7-126.4 -87.0 116.5 143.2 -14.8 -42.5 5 8 A P - 0 0 13 0, 0.0 4,-0.1 0, 0.0 85,-0.1 -0.036 2.3-140.8 -57.8 161.7 141.9 -13.3 -45.7 6 9 A V S S+ 0 0 131 2,-0.1 3,-0.1 84,-0.1 84,-0.1 0.760 83.5 88.7 -90.7 -33.3 144.0 -10.9 -47.9 7 10 A A S S- 0 0 21 82,-0.1 2,-0.0 1,-0.1 79,-0.0 -0.427 97.1-100.7 -63.2 138.6 140.9 -8.8 -48.5 8 11 A P - 0 0 78 0, 0.0 82,-0.3 0, 0.0 -1,-0.1 -0.329 36.4-112.4 -64.8 141.8 140.7 -6.2 -45.7 9 12 A A - 0 0 35 160,-0.2 78,-0.1 -4,-0.1 2,-0.1 -0.476 36.1-104.1 -73.5 145.9 138.2 -6.9 -42.9 10 13 A P - 0 0 3 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.419 34.6-107.2 -71.0 145.1 135.1 -4.6 -42.7 11 14 A D - 0 0 49 -2,-0.1 68,-2.0 69,-0.1 2,-0.4 -0.669 38.6-156.1 -74.8 104.0 135.2 -1.9 -40.0 12 15 A I E -A 78 0A 2 -2,-0.9 66,-0.3 158,-0.3 3,-0.1 -0.717 13.8-172.5 -88.4 131.4 132.6 -3.3 -37.5 13 16 A L E - 0 0 7 64,-3.1 2,-0.3 -2,-0.4 65,-0.2 0.917 55.4 -53.0 -86.3 -50.2 130.9 -0.7 -35.2 14 17 A R E -A 77 0A 11 63,-0.9 63,-2.1 178,-0.1 -1,-0.3 -0.962 65.1 -69.9-177.6 166.2 128.9 -2.7 -32.7 15 18 A C E -A 76 0A 2 136,-0.3 61,-0.3 -2,-0.3 135,-0.1 -0.503 49.8-176.8 -69.5 148.8 126.3 -5.5 -32.6 16 19 A A E - 0 0 0 59,-3.6 2,-0.3 1,-0.4 60,-0.2 0.735 46.5 -30.5-119.7 -42.7 123.1 -3.8 -33.9 17 20 A Y E -A 75 0A 0 58,-1.2 58,-2.8 34,-0.0 -1,-0.4 -0.983 45.7-132.0-168.5 168.0 120.1 -6.1 -33.7 18 21 A A E -Ab 74 61A 0 42,-1.6 44,-2.6 -2,-0.3 2,-0.6 -0.984 9.8-145.7-132.1 146.2 119.0 -9.7 -33.9 19 22 A E E -Ab 73 62A 1 54,-2.6 53,-2.4 -2,-0.4 54,-1.6 -0.961 23.8-174.7-111.2 121.3 116.2 -11.3 -35.9 20 23 A L E -Ab 71 63A 1 42,-2.5 44,-3.0 -2,-0.6 2,-0.5 -0.897 21.0-133.6-112.9 145.7 114.7 -14.2 -34.0 21 24 A V E -Ab 70 64A 8 49,-3.7 49,-1.1 -2,-0.4 2,-0.3 -0.852 27.6-175.0 -99.6 136.0 112.1 -16.5 -35.3 22 25 A V E - b 0 65A 0 42,-2.2 44,-2.1 -2,-0.5 3,-0.2 -0.912 24.7-141.1-125.6 157.3 109.2 -17.1 -32.8 23 26 A T S S+ 0 0 58 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.846 90.7 33.5 -91.0 -33.4 106.3 -19.4 -33.1 24 27 A D >> - 0 0 61 1,-0.2 4,-2.3 41,-0.1 3,-0.6 -0.829 64.8-167.1-127.6 95.9 103.4 -17.4 -31.6 25 28 A L H 3> S+ 0 0 17 -2,-0.5 4,-2.4 1,-0.3 5,-0.2 0.824 86.9 53.5 -51.7 -37.1 103.8 -13.7 -32.3 26 29 A A H 3> S+ 0 0 73 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.918 109.5 47.3 -68.9 -39.0 101.1 -12.6 -29.9 27 30 A K H <> S+ 0 0 136 -3,-0.6 4,-1.4 1,-0.2 -2,-0.2 0.907 114.0 48.9 -66.0 -39.4 102.8 -14.5 -27.0 28 31 A S H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.4 0.880 109.4 51.2 -66.0 -39.4 106.1 -13.0 -27.9 29 32 A R H X>S+ 0 0 73 -4,-2.4 4,-2.7 -5,-0.2 5,-1.2 0.942 107.0 54.1 -65.1 -42.5 104.8 -9.5 -28.2 30 33 A N H <>S+ 0 0 84 -4,-2.2 5,-1.4 3,-0.2 -1,-0.2 0.883 113.9 43.2 -58.2 -36.0 103.2 -9.8 -24.8 31 34 A F H X>S+ 0 0 10 -4,-1.4 5,-2.6 3,-0.2 4,-0.5 0.974 121.1 35.3 -74.1 -56.6 106.7 -10.8 -23.4 32 35 A Y H <5S+ 0 0 0 -4,-2.8 6,-2.3 3,-0.2 -2,-0.2 0.753 133.0 26.9 -71.0 -25.8 109.0 -8.3 -25.1 33 36 A V T X5S+ 0 0 24 -4,-2.7 4,-1.0 -5,-0.4 -3,-0.2 0.860 128.3 33.1-104.2 -54.8 106.5 -5.4 -25.0 34 37 A D T 4 - 0 0 0 -2,-0.3 3,-1.0 -14,-0.2 83,-0.3 -0.415 40.5 -92.0 -89.6 169.4 115.5 0.0 -26.8 53 56 A F T 3 S+ 0 0 0 94,-2.4 82,-0.3 1,-0.2 85,-0.2 0.763 120.7 32.9 -52.0 -38.6 115.2 3.3 -25.0 54 57 A E T 3 S+ 0 0 4 94,-2.2 -1,-0.2 81,-0.2 82,-0.1 0.450 90.1 114.9-103.9 1.0 118.3 5.0 -26.3 55 58 A E < - 0 0 11 -3,-1.0 80,-0.5 93,-0.2 81,-0.1 -0.354 36.6-177.4 -72.4 148.3 118.6 3.5 -29.8 56 59 A F + 0 0 0 78,-0.2 76,-2.3 3,-0.1 -1,-0.1 0.489 58.5 86.7-121.3 -13.4 118.2 5.7 -32.9 57 60 A I B S-I 131 0B 0 74,-0.2 74,-0.2 -41,-0.1 52,-0.1 -0.442 100.7 -89.3 -81.5 168.3 118.5 3.1 -35.7 58 61 A H S S- 0 0 22 72,-0.9 2,-0.3 50,-0.4 -1,-0.1 0.800 92.3 -25.5 -49.3 -40.8 115.2 1.4 -36.7 59 62 A H - 0 0 1 49,-0.1 -8,-0.3 1,-0.1 3,-0.1 -0.994 30.1-151.2-166.2 166.8 115.4 -1.5 -34.2 60 63 A N S S+ 0 0 1 -10,-3.2 -42,-1.6 1,-0.3 2,-0.3 0.381 91.2 37.3-120.6 -10.0 117.5 -3.8 -32.1 61 64 A L E -bD 18 50A 0 -11,-2.1 -11,-3.3 -44,-0.2 2,-0.5 -0.965 58.0-171.8-148.5 127.3 115.2 -6.8 -32.2 62 65 A V E -bD 19 49A 0 -44,-2.6 -42,-2.5 -2,-0.3 2,-0.6 -0.990 10.9-158.1-117.5 124.4 113.0 -8.2 -35.0 63 66 A L E -bD 20 48A 0 -15,-3.0 -15,-1.9 -2,-0.5 2,-0.5 -0.906 13.3-169.0-101.2 120.8 110.6 -11.0 -34.0 64 67 A T E -bD 21 47A 16 -44,-3.0 -42,-2.2 -2,-0.6 -17,-0.2 -0.941 21.9-124.1-115.5 124.9 109.6 -13.0 -37.2 65 68 A K E +b 22 0A 106 -19,-2.9 -42,-0.2 -2,-0.5 3,-0.1 -0.373 49.1 147.7 -64.8 138.8 106.8 -15.5 -37.1 66 69 A G - 0 0 18 -44,-2.1 3,-0.1 1,-0.1 -41,-0.0 -0.979 57.6-103.7-163.1 171.2 108.0 -18.9 -38.2 67 70 A P S S+ 0 0 126 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.870 103.9 36.3 -73.8 -38.6 107.6 -22.7 -37.8 68 71 A V S S- 0 0 63 -46,-0.1 2,-0.1 -3,-0.1 -47,-0.1 -0.971 85.6-119.4-125.0 127.2 110.6 -23.3 -35.7 69 72 A A + 0 0 22 -2,-0.5 238,-0.4 -3,-0.1 2,-0.3 -0.370 58.3 125.5 -61.0 125.2 112.0 -21.0 -33.0 70 73 A A E -A 21 0A 0 -49,-1.1 -49,-3.7 -2,-0.1 2,-0.6 -0.988 64.5 -84.7-169.8 171.7 115.6 -19.9 -33.9 71 74 A L E -Ae 20 308A 0 236,-2.8 238,-2.2 -2,-0.3 -51,-0.2 -0.823 33.9-179.2 -88.7 121.7 118.1 -17.1 -34.6 72 75 A K E - 0 0 78 -53,-2.4 2,-0.3 -2,-0.6 -52,-0.2 0.668 65.2 -11.2 -95.9 -18.9 117.7 -16.0 -38.1 73 76 A A E -A 19 0A 0 -54,-1.6 -54,-2.6 41,-0.0 2,-0.6 -0.857 44.1-150.4-178.0 139.9 120.5 -13.4 -37.9 74 77 A M E -Af 18 123A 0 48,-2.6 50,-2.2 -2,-0.3 2,-0.4 -0.972 32.3-154.1-115.1 118.2 122.8 -11.5 -35.7 75 78 A A E -Af 17 124A 0 -58,-2.8 -59,-3.6 -2,-0.6 -58,-1.2 -0.767 14.8-169.1-102.8 137.4 123.6 -8.2 -37.2 76 79 A F E -Af 15 125A 0 48,-2.9 50,-1.5 -2,-0.4 2,-0.4 -0.922 21.5-132.6-114.9 142.0 126.6 -5.9 -36.8 77 80 A R E -Af 14 126A 1 -63,-2.1 -64,-3.1 -2,-0.4 -63,-0.9 -0.775 21.5-150.1 -93.4 142.9 126.6 -2.3 -38.1 78 81 A V E -A 12 0A 0 48,-2.4 -66,-0.2 -2,-0.4 6,-0.1 -0.722 21.1-112.5-109.5 162.8 129.7 -1.3 -40.1 79 82 A R S S+ 0 0 79 -68,-2.0 -67,-0.1 -2,-0.3 3,-0.1 0.765 89.0 12.5 -67.1 -34.0 131.2 2.2 -40.4 80 83 A T S > S- 0 0 43 -69,-0.2 3,-1.2 1,-0.1 4,-0.5 -0.954 76.1-107.1-142.4 163.6 130.5 3.1 -44.0 81 84 A P T >> S+ 0 0 48 0, 0.0 3,-2.4 0, 0.0 4,-0.8 0.918 118.0 59.8 -57.1 -43.4 128.5 1.8 -47.0 82 85 A E H 3> S+ 0 0 107 1,-0.3 4,-2.1 2,-0.2 3,-0.1 0.738 90.3 71.4 -58.5 -24.7 131.8 0.5 -48.6 83 86 A D H <> S+ 0 0 8 -3,-1.2 4,-2.4 1,-0.3 -1,-0.3 0.780 89.8 59.2 -65.6 -24.0 132.3 -1.7 -45.6 84 87 A V H <> S+ 0 0 1 -3,-2.4 4,-1.8 -4,-0.5 -1,-0.3 0.906 105.1 50.4 -69.9 -34.9 129.4 -3.8 -46.8 85 88 A D H X S+ 0 0 88 -4,-0.8 4,-2.6 1,-0.2 -2,-0.2 0.950 110.3 50.1 -64.4 -42.2 131.5 -4.3 -49.9 86 89 A K H X S+ 0 0 84 -4,-2.1 4,-3.1 1,-0.2 -2,-0.2 0.918 107.5 51.6 -60.4 -46.2 134.5 -5.3 -47.8 87 90 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.869 110.5 50.8 -60.0 -37.5 132.6 -7.8 -45.7 88 91 A E H X S+ 0 0 42 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.970 112.2 44.8 -64.5 -52.8 131.3 -9.4 -49.0 89 92 A A H >X S+ 0 0 43 -4,-2.6 4,-2.2 1,-0.2 3,-0.7 0.967 114.7 51.4 -52.5 -56.1 134.8 -9.7 -50.4 90 93 A Y H 3X S+ 0 0 4 -4,-3.1 4,-1.2 -82,-0.3 -1,-0.2 0.856 110.5 44.5 -47.7 -52.2 136.1 -11.0 -47.1 91 94 A Y H 3<>S+ 0 0 0 -4,-2.4 5,-3.3 1,-0.2 -1,-0.2 0.722 110.5 55.8 -74.7 -18.1 133.6 -13.8 -46.6 92 95 A Q H X<5S+ 0 0 109 -4,-1.5 3,-1.9 -3,-0.7 -2,-0.2 0.881 104.3 52.9 -76.8 -40.5 133.9 -15.0 -50.2 93 96 A E H 3<5S+ 0 0 92 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.825 105.9 54.0 -64.7 -29.9 137.6 -15.4 -49.8 94 97 A L T 3<5S- 0 0 29 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.443 120.1-118.8 -80.6 2.9 136.8 -17.5 -46.7 95 98 A G T < 5 + 0 0 65 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.865 61.3 153.7 64.7 36.7 134.7 -19.4 -49.1 96 99 A C < - 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