==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 23-AUG-10 3OJK . COMPND 2 MOLECULE: HOMOPROTOCATECHUATE 2,3-DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BREVIBACTERIUM FUSCUM; . AUTHOR A.J.FIELDING,E.G.KOVALEVA,E.R.FARQUHAR,J.D.LIPSCOMB,L.QUE JR . 1424 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44613.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 938 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 116 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 338 23.7 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 . 18 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 0.1 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 . 96 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 120 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 2.0 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 6 2 0 4 0 4 0 1 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 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 . 14 6 1 20 4 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 . 5 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 0 189 0, 0.0 161,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -42.7 0.1 67.3 -9.2 2 5 A I - 0 0 7 160,-0.2 92,-0.0 1,-0.0 2,-0.0 -0.860 360.0-129.4 -85.7 118.9 3.7 66.0 -9.6 3 6 A P - 0 0 88 0, 0.0 166,-0.0 0, 0.0 -1,-0.0 -0.314 10.2-114.6 -74.6 154.1 3.8 65.4 -13.4 4 7 A K - 0 0 146 1,-0.0 162,-0.0 2,-0.0 166,-0.0 -0.789 38.3-126.4 -84.1 116.1 5.0 62.1 -15.0 5 8 A P - 0 0 10 0, 0.0 4,-0.1 0, 0.0 85,-0.1 -0.189 3.9-134.2 -59.7 152.3 8.2 62.9 -16.9 6 9 A V S S+ 0 0 135 2,-0.1 3,-0.1 84,-0.1 84,-0.1 0.889 86.3 90.2 -66.6 -40.8 8.6 62.0 -20.6 7 10 A A S S- 0 0 18 82,-0.2 79,-0.0 1,-0.1 2,-0.0 -0.265 92.9-100.7 -60.0 140.8 12.1 60.6 -19.6 8 11 A P - 0 0 79 0, 0.0 82,-0.2 0, 0.0 -1,-0.1 -0.305 36.2-114.5 -63.4 140.3 12.2 56.9 -18.7 9 12 A A - 0 0 33 160,-0.2 78,-0.1 -4,-0.1 77,-0.1 -0.466 34.3-105.1 -69.4 147.2 12.3 56.1 -15.0 10 13 A P - 0 0 3 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 -0.398 33.4-110.1 -63.9 151.0 15.5 54.5 -13.7 11 14 A D - 0 0 45 69,-0.1 68,-2.2 -2,-0.1 2,-0.4 -0.794 38.3-160.6 -87.7 102.5 15.2 50.7 -12.9 12 15 A I E -A 78 0A 1 -2,-1.0 66,-0.3 158,-0.3 3,-0.1 -0.721 13.2-170.8 -89.8 128.0 15.4 50.7 -9.1 13 16 A L E - 0 0 8 64,-2.8 2,-0.3 -2,-0.4 65,-0.2 0.903 55.7 -54.6 -79.0 -48.6 16.3 47.4 -7.5 14 17 A R E -A 77 0A 9 63,-1.1 63,-1.9 178,-0.1 -1,-0.3 -0.960 63.9 -63.7-178.5 165.1 15.8 48.0 -3.8 15 18 A C E +A 76 0A 1 136,-0.3 61,-0.3 -2,-0.3 135,-0.1 -0.573 50.2 175.7 -66.2 139.9 16.6 50.2 -0.8 16 19 A A E - 0 0 0 59,-3.1 2,-0.3 1,-0.4 60,-0.2 0.707 47.8 -19.8-124.0 -43.8 20.3 49.8 -0.2 17 20 A Y E -A 75 0A 0 58,-1.5 58,-3.0 34,-0.0 -1,-0.4 -0.978 45.2-137.6-163.8 161.5 21.5 52.1 2.6 18 21 A A E -Ab 74 61A 0 42,-1.6 44,-2.8 -2,-0.3 2,-0.6 -0.975 12.2-144.5-125.7 142.0 20.8 55.2 4.6 19 22 A E E -Ab 73 62A 6 54,-3.2 53,-2.6 -2,-0.4 54,-1.4 -0.936 22.2-170.0-101.8 116.3 23.3 57.9 5.6 20 23 A L E -Ab 71 63A 0 42,-3.3 44,-3.0 -2,-0.6 2,-0.4 -0.918 16.9-141.3-110.4 126.4 22.4 59.2 9.1 21 24 A V E -Ab 70 64A 10 49,-3.2 49,-1.3 -2,-0.5 2,-0.3 -0.769 27.9-176.0 -81.3 132.3 24.0 62.3 10.6 22 25 A V E - b 0 65A 0 42,-2.3 44,-2.4 -2,-0.4 3,-0.2 -0.913 27.6-140.6-129.9 154.5 24.6 61.7 14.3 23 26 A T S S+ 0 0 60 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.755 91.6 32.8 -90.0 -27.8 26.0 64.0 17.0 24 27 A D > - 0 0 63 1,-0.1 4,-2.3 41,-0.0 -1,-0.2 -0.928 64.0-166.9-135.7 103.7 28.3 61.6 19.1 25 28 A L H > S+ 0 0 19 -2,-0.4 4,-2.6 1,-0.2 5,-0.1 0.864 86.9 54.3 -64.8 -36.5 29.9 59.0 16.9 26 29 A A H > S+ 0 0 73 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.897 110.6 44.4 -66.3 -43.7 31.0 56.9 20.0 27 30 A K H > S+ 0 0 133 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.891 114.3 49.9 -65.9 -40.4 27.5 56.7 21.5 28 31 A S H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.910 109.7 51.9 -65.9 -39.0 26.0 55.9 18.1 29 32 A R H X>S+ 0 0 71 -4,-2.6 4,-2.8 -5,-0.2 5,-1.2 0.922 106.8 53.2 -60.7 -43.4 28.7 53.2 17.6 30 33 A N H <>S+ 0 0 84 -4,-2.1 5,-2.6 3,-0.2 -1,-0.2 0.924 113.7 43.2 -58.8 -44.3 27.8 51.7 21.0 31 34 A F H <>S+ 0 0 13 -4,-2.0 5,-2.4 3,-0.2 -2,-0.2 0.965 121.4 36.2 -65.3 -53.3 24.1 51.5 20.0 32 35 A Y H <5S+ 0 0 0 -4,-2.7 6,-2.4 3,-0.2 -2,-0.2 0.852 133.2 23.6 -76.0 -34.8 24.5 50.2 16.4 33 36 A V T X5S+ 0 0 26 -4,-2.8 4,-1.2 -5,-0.3 -3,-0.2 0.894 130.1 35.4 -94.7 -55.6 27.5 47.9 17.0 34 37 A D T 4 - 0 0 0 -2,-0.3 3,-1.0 -14,-0.2 83,-0.3 -0.185 41.8 -95.3 -76.7 169.1 23.8 43.6 8.0 53 56 A F T 3 S+ 0 0 0 94,-2.6 82,-0.4 1,-0.2 85,-0.2 0.812 119.8 36.2 -58.3 -37.3 24.7 39.9 8.2 54 57 A E T 3 S+ 0 0 4 94,-2.2 -1,-0.2 81,-0.2 2,-0.2 0.362 89.9 116.7-102.6 6.3 23.7 38.9 4.7 55 58 A E < + 0 0 6 -3,-1.0 80,-0.6 93,-0.1 81,-0.1 -0.496 34.2 178.0 -80.1 143.8 24.8 42.0 2.8 56 59 A F + 0 0 0 -2,-0.2 76,-2.4 78,-0.2 -1,-0.1 0.530 58.8 88.6-113.4 -16.2 27.5 42.0 0.1 57 60 A I S S- 0 0 0 74,-0.2 74,-0.1 1,-0.1 52,-0.1 -0.367 99.9 -92.8 -75.5 169.3 27.4 45.7 -1.0 58 61 A H S S- 0 0 17 50,-0.5 2,-0.3 72,-0.2 -1,-0.1 0.839 91.2 -19.9 -58.8 -35.4 29.7 47.9 1.1 59 62 A H - 0 0 0 49,-0.1 -8,-0.3 1,-0.1 -1,-0.1 -0.993 31.0-152.9-168.3 156.6 27.1 49.0 3.7 60 63 A N S S+ 0 0 0 -10,-3.0 -42,-1.6 -2,-0.3 2,-0.3 0.469 90.9 33.0-109.5 -13.5 23.5 49.4 4.7 61 64 A L E -bD 18 50A 0 -11,-2.0 -11,-3.2 -44,-0.2 2,-0.5 -0.978 58.4-166.8-149.9 128.5 24.1 52.3 7.1 62 65 A V E -bD 19 49A 0 -44,-2.8 -42,-3.3 -2,-0.3 2,-0.6 -0.978 8.8-160.2-114.7 125.2 26.5 55.2 7.2 63 66 A L E -bD 20 48A 0 -15,-2.7 -15,-2.1 -2,-0.5 2,-0.5 -0.936 13.9-171.3-103.2 117.2 26.7 57.1 10.5 64 67 A T E -bD 21 47A 17 -44,-3.0 -42,-2.3 -2,-0.6 -17,-0.2 -0.958 22.7-123.6-116.9 125.1 28.3 60.5 9.8 65 68 A K E +b 22 0A 107 -19,-3.0 -42,-0.2 -2,-0.5 -44,-0.1 -0.419 48.6 144.7 -66.0 134.8 29.3 62.8 12.5 66 69 A G - 0 0 18 -44,-2.4 3,-0.1 -2,-0.1 -41,-0.0 -0.961 58.9-104.3-163.1 172.3 27.6 66.3 12.3 67 70 A P S S+ 0 0 124 0, 0.0 2,-0.5 0, 0.0 -44,-0.1 0.783 105.5 40.7 -78.6 -28.4 26.2 69.1 14.3 68 71 A V S S- 0 0 57 -46,-0.1 -47,-0.1 -3,-0.0 2,-0.1 -0.970 83.7-127.8-127.7 115.6 22.5 68.3 13.7 69 72 A A + 0 0 19 -2,-0.5 238,-0.4 -3,-0.1 2,-0.3 -0.379 54.8 122.9 -60.1 133.6 21.1 64.7 13.7 70 73 A A E -A 21 0A 0 -49,-1.3 -49,-3.2 236,-0.1 2,-0.6 -0.971 66.8 -77.5-177.4 163.9 19.2 64.1 10.5 71 74 A L E +Ae 20 308A 0 236,-2.7 238,-2.6 -2,-0.3 -51,-0.2 -0.782 37.9 178.2 -76.2 121.7 18.7 61.9 7.4 72 75 A K E - 0 0 75 -53,-2.6 2,-0.3 -2,-0.6 -52,-0.2 0.763 66.5 -5.5 -93.3 -32.7 21.4 62.9 4.9 73 76 A A E -A 19 0A 0 -54,-1.4 -54,-3.2 41,-0.0 2,-0.6 -0.927 46.6-156.3-162.6 137.1 20.5 60.4 2.2 74 77 A M E -Af 18 123A 0 48,-2.6 50,-1.7 -2,-0.3 2,-0.4 -0.981 33.1-154.1-112.1 116.1 18.2 57.4 1.6 75 78 A A E -Af 17 124A 0 -58,-3.0 -59,-3.1 -2,-0.6 -58,-1.5 -0.766 17.0-170.0-107.2 134.5 19.8 55.4 -1.2 76 79 A F E -Af 15 125A 0 48,-3.0 50,-1.6 -2,-0.4 2,-0.3 -0.959 21.8-131.6-115.1 134.4 18.4 53.0 -3.7 77 80 A R E -Af 14 126A 0 -63,-1.9 -64,-2.8 -2,-0.4 -63,-1.1 -0.683 21.0-148.4 -86.8 141.0 20.5 50.8 -5.9 78 81 A V E -A 12 0A 0 48,-2.9 -66,-0.2 -2,-0.3 6,-0.1 -0.613 20.6-114.4-107.8 165.0 19.7 50.8 -9.6 79 82 A R S S+ 0 0 105 -68,-2.2 -67,-0.1 -2,-0.2 -1,-0.1 0.832 88.7 10.5 -76.5 -33.8 20.0 47.8 -12.1 80 83 A T S >> S- 0 0 32 -69,-0.2 3,-1.1 1,-0.1 4,-0.6 -0.922 75.0-106.9-138.0 162.5 22.8 49.2 -14.4 81 84 A P H >> S+ 0 0 63 0, 0.0 3,-1.5 0, 0.0 4,-0.9 0.911 119.4 60.4 -53.9 -39.2 25.2 52.1 -14.6 82 85 A E H 3> S+ 0 0 111 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.694 92.1 67.6 -65.8 -17.6 23.0 53.6 -17.4 83 86 A D H <> S+ 0 0 4 -3,-1.1 4,-2.5 2,-0.2 -1,-0.3 0.753 91.4 60.0 -73.9 -23.1 20.1 53.8 -14.8 84 87 A V H S+ 0 0 0 -4,-2.6 5,-2.4 2,-0.2 4,-0.2 0.752 111.9 56.2 -70.5 -25.8 14.7 64.3 -11.8 92 95 A Q H ><5S+ 0 0 107 -4,-1.8 3,-1.7 -5,-0.3 -1,-0.2 0.939 107.8 49.2 -67.6 -45.3 16.0 67.2 -14.0 93 96 A E H 3<5S+ 0 0 96 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.871 105.6 56.8 -61.7 -37.9 12.7 67.0 -16.0 94 97 A L T 3<5S- 0 0 30 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.568 118.6-115.8 -67.4 -10.4 10.8 67.0 -12.7 95 98 A G T < 5 + 0 0 67 -3,-1.7 2,-0.2 1,-0.3 -3,-0.2 0.621 65.9 147.9 86.4 15.0 12.6 70.3 -12.0 96 99 A C < - 0 0 20 -5,-2.4 -1,-0.3 -6,-0.1 2,-0.2 -0.535 54.1-108.5 -87.0 146.8 14.4 68.8 -9.0 97 100 A R - 0 0 97 19,-0.4 19,-1.9 -2,-0.2 2,-0.3 -0.543 43.1-175.8 -66.9 136.0 17.9 69.8 -7.8 98 101 A T E -G 115 0A 26 -2,-0.2 2,-0.3 17,-0.2 17,-0.2 -0.933 18.5-168.2-133.7 157.4 20.4 67.1 -8.5 99 102 A E E -G 114 0A 61 15,-2.4 15,-3.3 -2,-0.3 2,-0.4 -0.957 10.3-165.4-146.3 126.8 24.2 66.5 -7.8 100 103 A R E -G 113 0A 69 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.967 5.8-174.8-122.1 131.9 26.2 63.7 -9.4 101 104 A R E > -G 112 0A 115 11,-2.6 3,-2.1 -2,-0.4 11,-1.8 -0.959 17.8-154.4-130.3 116.4 29.6 62.4 -8.4 102 105 A K T 3 S+ 0 0 136 -2,-0.4 9,-0.5 1,-0.3 -1,-0.1 0.752 99.9 41.2 -60.7 -27.1 31.5 59.8 -10.4 103 106 A D T 3 S- 0 0 125 1,-0.2 -1,-0.3 7,-0.2 6,-0.2 0.170 116.1-113.9-109.6 16.7 33.4 58.6 -7.3 104 107 A G < - 0 0 13 -3,-2.1 -1,-0.2 8,-0.1 7,-0.1 0.127 10.7-101.9 82.1 167.5 30.4 58.7 -4.9 105 108 A F S S+ 0 0 42 5,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.651 103.3 32.1 -99.1 -32.9 29.5 60.7 -1.8 106 109 A V S > S- 0 0 7 4,-0.2 3,-1.3 3,-0.1 -1,-0.2 -0.899 99.1 -85.5-123.9 157.0 30.4 58.0 0.8 107 110 A K T 3 S+ 0 0 97 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.311 111.0 30.8 -57.9 138.9 33.1 55.3 0.8 108 111 A G T 3 S+ 0 0 13 1,-0.2 22,-2.5 21,-0.1 -50,-0.5 0.379 100.2 93.3 94.0 -5.7 32.1 52.0 -0.9 109 112 A I B < -I 129 0B 8 -3,-1.3 20,-0.3 20,-0.3 -1,-0.2 -0.977 53.4-168.1-120.5 135.4 29.8 53.7 -3.5 110 113 A G + 0 0 14 18,-2.4 -7,-0.2 -2,-0.4 -5,-0.2 0.274 62.3 9.0 -91.4-138.9 30.9 54.7 -7.0 111 114 A D S S+ 0 0 21 -9,-0.5 16,-0.8 -8,-0.2 17,-0.4 -0.173 79.2 172.1 -47.7 119.2 29.0 56.9 -9.5 112 115 A A E -GH 101 126A 0 -11,-1.8 -11,-2.6 14,-0.2 2,-0.5 -0.995 28.8-150.8-141.1 141.3 26.0 58.3 -7.6 113 116 A L E -GH 100 125A 0 12,-2.3 12,-2.6 -2,-0.3 2,-0.4 -0.948 13.5-167.3-107.7 126.7 23.2 60.8 -8.1 114 117 A R E -GH 99 124A 9 -15,-3.3 -15,-2.4 -2,-0.5 2,-0.3 -0.940 11.2-178.3-110.7 143.9 21.7 62.6 -5.2 115 118 A V E -GH 98 123A 0 8,-2.5 8,-1.7 -2,-0.4 2,-0.8 -0.978 36.2-131.3-136.6 147.1 18.5 64.6 -5.5 116 119 A E E - 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