==== 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 OXIDOREDUCTASE 22-SEP-06 2IG9 . COMPND 2 MOLECULE: HOMOPROTOCATECHUATE 2,3-DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BREVIBACTERIUM FUSCUM; . AUTHOR E.G.KOVALEVA,J.D.LIPSCOMB . 1436 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44166.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 931 64.8 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 . 345 24.0 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 . 20 1.4 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 . 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 . 85 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 121 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 174 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 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 6 2 0 4 0 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 . 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 . 17 5 2 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 . 6 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 0 181 0, 0.0 161,-0.1 0, 0.0 162,-0.0 0.000 360.0 360.0 360.0 134.3 0.4 8.1 -7.8 2 5 A I - 0 0 9 160,-0.2 2,-0.1 1,-0.1 92,-0.0 -0.715 360.0-131.3 -86.2 116.0 -3.0 9.6 -8.9 3 6 A P - 0 0 82 0, 0.0 -1,-0.1 0, 0.0 166,-0.0 -0.327 16.2-112.7 -66.4 147.7 -3.0 10.1 -12.7 4 7 A K - 0 0 146 -2,-0.1 162,-0.0 1,-0.0 161,-0.0 -0.742 39.5-127.5 -78.8 115.8 -4.1 13.3 -14.4 5 8 A P - 0 0 9 0, 0.0 4,-0.1 0, 0.0 85,-0.1 -0.186 4.1-134.9 -59.0 156.4 -7.3 12.5 -16.2 6 9 A V S S+ 0 0 136 2,-0.1 3,-0.1 84,-0.1 84,-0.1 0.846 87.8 90.5 -71.6 -36.7 -7.8 13.3 -19.9 7 10 A A S S- 0 0 17 82,-0.2 2,-0.0 83,-0.1 79,-0.0 -0.336 92.4-108.2 -62.3 135.2 -11.2 14.6 -18.9 8 11 A P - 0 0 79 0, 0.0 82,-0.3 0, 0.0 -1,-0.1 -0.340 35.4-110.4 -69.7 145.8 -11.1 18.3 -18.0 9 12 A A - 0 0 27 160,-0.2 78,-0.1 -4,-0.1 2,-0.1 -0.327 35.6 -99.5 -70.6 154.1 -11.6 19.1 -14.3 10 13 A P - 0 0 3 0, 0.0 2,-1.1 0, 0.0 -1,-0.1 -0.470 38.8-110.2 -67.3 150.0 -14.8 20.8 -13.1 11 14 A D - 0 0 47 69,-0.1 68,-2.4 -2,-0.1 2,-0.4 -0.783 39.1-157.3 -84.5 100.0 -14.4 24.6 -12.6 12 15 A I E -A 78 0A 3 -2,-1.1 66,-0.3 158,-0.3 3,-0.1 -0.694 16.7-173.0 -84.3 129.4 -14.6 24.8 -8.8 13 16 A L E - 0 0 8 64,-2.9 2,-0.3 -2,-0.4 65,-0.2 0.918 57.1 -55.6 -80.8 -49.0 -15.6 28.2 -7.3 14 17 A R E -A 77 0A 9 63,-1.1 63,-2.0 178,-0.1 -1,-0.3 -0.973 63.5 -63.7 179.4 160.2 -15.1 27.6 -3.6 15 18 A C E +A 76 0A 1 136,-0.3 61,-0.3 -2,-0.3 135,-0.1 -0.524 50.1 176.8 -61.8 143.8 -15.9 25.4 -0.6 16 19 A A E - 0 0 0 59,-2.7 2,-0.3 1,-0.4 60,-0.2 0.707 49.2 -18.9-127.1 -43.6 -19.7 25.9 -0.1 17 20 A Y E -A 75 0A 0 58,-1.3 58,-3.1 34,-0.0 -1,-0.4 -0.982 46.1-137.6-163.7 160.2 -20.9 23.6 2.8 18 21 A A E -Ab 74 61A 0 42,-1.5 44,-2.4 -2,-0.3 2,-0.6 -0.974 12.4-146.2-119.0 142.1 -20.2 20.6 4.9 19 22 A E E -Ab 73 62A 0 54,-3.3 53,-3.0 -2,-0.4 54,-1.5 -0.926 22.5-173.3-105.6 113.1 -22.6 17.9 6.0 20 23 A L E -Ab 71 63A 1 42,-2.6 44,-2.7 -2,-0.6 2,-0.4 -0.881 19.3-138.3-107.3 136.0 -21.8 16.6 9.4 21 24 A V E -Ab 70 64A 8 49,-3.6 49,-1.1 -2,-0.4 2,-0.3 -0.803 26.4-174.7 -87.4 132.1 -23.5 13.7 11.1 22 25 A V E - b 0 65A 0 42,-2.5 44,-1.6 -2,-0.4 3,-0.2 -0.933 24.8-142.7-126.2 154.5 -24.2 14.4 14.8 23 26 A T S S+ 0 0 72 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.741 92.3 34.7 -93.1 -26.7 -25.6 12.1 17.5 24 27 A D > - 0 0 71 1,-0.1 4,-2.0 41,-0.0 -1,-0.3 -0.856 66.5-169.4-132.8 97.0 -27.8 14.5 19.5 25 28 A L H > S+ 0 0 14 -2,-0.4 4,-2.9 1,-0.2 5,-0.2 0.869 85.1 53.4 -56.7 -43.3 -29.4 17.1 17.3 26 29 A A H > S+ 0 0 73 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.923 111.1 46.8 -59.6 -45.1 -30.7 19.3 20.1 27 30 A K H > S+ 0 0 134 -3,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.850 112.2 49.8 -65.3 -38.1 -27.2 19.5 21.7 28 31 A S H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.899 108.5 54.9 -66.2 -41.2 -25.6 20.3 18.3 29 32 A R H X>S+ 0 0 72 -4,-2.9 4,-2.8 1,-0.2 5,-1.1 0.920 105.4 51.8 -56.1 -47.1 -28.3 23.0 17.8 30 33 A N H <>S+ 0 0 84 -4,-2.2 5,-2.5 3,-0.2 -1,-0.2 0.914 113.2 45.7 -56.2 -45.6 -27.4 24.6 21.1 31 34 A F H <>S+ 0 0 11 -4,-1.7 5,-2.5 3,-0.2 4,-0.3 0.978 122.4 31.7 -62.1 -57.4 -23.7 24.7 20.1 32 35 A Y H <5S+ 0 0 0 -4,-2.8 6,-2.6 3,-0.2 -2,-0.2 0.857 133.4 27.9 -76.4 -37.2 -24.1 26.0 16.5 33 36 A V T X5S+ 0 0 23 -4,-2.8 4,-1.0 -5,-0.3 -3,-0.2 0.934 130.0 31.4 -89.0 -57.3 -27.1 28.2 17.0 34 37 A D T 4 - 0 0 0 -2,-0.3 3,-1.2 -14,-0.2 83,-0.4 -0.410 40.6 -96.7 -86.0 168.4 -23.3 32.4 7.8 53 56 A F T 3 S+ 0 0 0 94,-2.6 82,-0.4 1,-0.2 85,-0.2 0.799 121.0 37.0 -55.2 -35.4 -24.1 36.1 8.1 54 57 A E T 3 S+ 0 0 3 94,-2.0 -1,-0.2 81,-0.2 2,-0.2 0.425 89.3 115.7-101.9 2.0 -23.0 36.9 4.5 55 58 A E < + 0 0 7 -3,-1.2 80,-0.6 1,-0.1 81,-0.1 -0.450 34.2 178.6 -81.1 141.2 -24.2 33.8 2.6 56 59 A F + 0 0 0 78,-0.2 76,-2.5 -2,-0.2 -1,-0.1 0.516 59.8 87.7-110.7 -16.4 -26.9 33.8 -0.1 57 60 A I S S- 0 0 0 74,-0.2 74,-0.2 1,-0.1 52,-0.1 -0.411 99.8 -92.7 -77.2 168.5 -26.8 30.1 -1.1 58 61 A H S S- 0 0 17 50,-0.4 2,-0.3 72,-0.2 51,-0.1 0.820 90.6 -19.0 -56.5 -40.7 -29.0 27.9 1.0 59 62 A H - 0 0 0 49,-0.1 -8,-0.3 1,-0.1 3,-0.1 -0.992 30.7-154.5-163.2 159.1 -26.5 26.8 3.7 60 63 A N S S+ 0 0 0 -10,-3.0 -42,-1.5 1,-0.3 2,-0.3 0.448 91.2 29.7-110.1 -11.5 -22.9 26.4 4.7 61 64 A L E -bD 18 50A 0 -11,-1.8 -11,-3.3 -44,-0.3 2,-0.5 -0.972 58.9-166.1-156.1 128.4 -23.5 23.6 7.2 62 65 A V E -bD 19 49A 0 -44,-2.4 -42,-2.6 -2,-0.3 2,-0.6 -0.991 11.4-156.5-116.5 123.1 -26.0 20.8 7.4 63 66 A L E -bD 20 48A 0 -15,-3.2 -15,-2.2 -2,-0.5 2,-0.5 -0.936 13.7-168.6 -98.6 122.3 -26.3 18.9 10.7 64 67 A T E -bD 21 47A 17 -44,-2.7 -42,-2.5 -2,-0.6 -17,-0.2 -0.941 21.2-125.4-116.3 121.5 -27.7 15.4 10.2 65 68 A K E +b 22 0A 95 -19,-3.0 -42,-0.2 -2,-0.5 3,-0.1 -0.361 49.3 145.2 -59.9 139.6 -28.9 13.2 13.0 66 69 A G - 0 0 17 -44,-1.6 3,-0.1 1,-0.1 -41,-0.0 -0.982 59.8-103.9-172.1 165.3 -27.1 9.8 12.9 67 70 A P S S+ 0 0 126 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.816 105.6 37.0 -70.9 -33.7 -25.6 6.9 14.9 68 71 A V S S- 0 0 59 -46,-0.1 -47,-0.1 -3,-0.1 2,-0.1 -0.974 83.3-126.2-129.4 117.4 -22.0 7.8 14.4 69 72 A A + 0 0 19 -2,-0.4 238,-0.4 -3,-0.1 2,-0.3 -0.354 55.7 128.3 -60.4 130.9 -20.6 11.4 14.3 70 73 A A E -A 21 0A 0 -49,-1.1 -49,-3.6 236,-0.1 2,-0.6 -0.973 65.1 -81.0-172.6 163.5 -18.7 11.8 11.1 71 74 A L E -Ae 20 308A 0 236,-3.0 238,-2.6 -2,-0.3 -51,-0.2 -0.763 37.1-179.8 -77.0 123.3 -18.2 13.9 8.0 72 75 A K E - 0 0 75 -53,-3.0 2,-0.3 -2,-0.6 -52,-0.2 0.798 64.8 -8.2 -93.9 -34.3 -20.9 13.0 5.5 73 76 A A E -A 19 0A 0 -54,-1.5 -54,-3.3 2,-0.0 2,-0.6 -0.918 45.3-153.7-163.4 135.5 -19.9 15.3 2.7 74 77 A M E -Af 18 123A 0 48,-2.6 50,-2.6 -2,-0.3 2,-0.4 -0.981 32.7-156.0-103.8 120.4 -17.6 18.3 1.9 75 78 A A E -Af 17 124A 0 -58,-3.1 -59,-2.7 -2,-0.6 -58,-1.3 -0.801 15.4-170.6-108.7 136.0 -19.3 20.2 -0.9 76 79 A F E -Af 15 125A 0 48,-3.5 50,-1.2 -2,-0.4 2,-0.4 -0.945 20.7-132.4-117.9 139.5 -17.7 22.6 -3.4 77 80 A R E -Af 14 126A 0 -63,-2.0 -64,-2.9 -2,-0.4 -63,-1.1 -0.765 21.2-150.9 -89.6 144.5 -19.8 24.7 -5.7 78 81 A V E -A 12 0A 0 48,-2.2 -66,-0.2 -2,-0.4 6,-0.1 -0.639 22.4-110.7-113.6 165.7 -18.8 24.7 -9.4 79 82 A R S S+ 0 0 104 -68,-2.4 -67,-0.1 -2,-0.2 -1,-0.1 0.827 89.6 9.0 -68.3 -37.4 -19.2 27.5 -12.0 80 83 A T S > S- 0 0 34 -69,-0.2 3,-0.8 1,-0.1 4,-0.4 -0.895 74.9-105.6-141.1 162.1 -21.9 26.0 -14.3 81 84 A P T >> S+ 0 0 66 0, 0.0 3,-1.8 0, 0.0 4,-0.8 0.901 118.7 62.1 -57.4 -37.0 -24.4 23.2 -14.4 82 85 A E H 3> S+ 0 0 118 1,-0.3 4,-2.2 2,-0.2 3,-0.2 0.759 91.5 66.9 -60.2 -29.7 -22.1 21.5 -17.1 83 86 A D H <> S+ 0 0 5 -3,-0.8 4,-2.0 1,-0.2 -1,-0.3 0.686 91.4 61.2 -65.1 -19.7 -19.3 21.4 -14.5 84 87 A V H <> S+ 0 0 2 -3,-1.8 4,-1.3 -4,-0.4 -1,-0.2 0.922 108.6 43.0 -73.3 -39.8 -21.3 18.8 -12.5 85 88 A D H X S+ 0 0 88 -4,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.872 111.8 53.8 -65.0 -42.2 -21.1 16.6 -15.6 86 89 A K H X S+ 0 0 60 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.906 107.8 51.4 -58.6 -41.1 -17.5 17.4 -16.1 87 90 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.837 108.4 51.7 -64.5 -34.8 -16.9 16.4 -12.5 88 91 A E H X S+ 0 0 45 -4,-1.3 4,-2.1 2,-0.2 5,-0.2 0.959 111.9 44.3 -69.1 -51.2 -18.7 13.1 -13.1 89 92 A A H X S+ 0 0 45 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.930 114.0 53.3 -52.9 -48.4 -16.5 12.2 -16.2 90 93 A Y H X S+ 0 0 5 -4,-2.5 4,-1.3 -82,-0.3 -2,-0.2 0.928 113.1 39.8 -56.0 -54.9 -13.4 13.3 -14.3 91 94 A Y H <>S+ 0 0 0 -4,-2.3 5,-2.6 2,-0.2 -1,-0.2 0.779 113.0 55.0 -72.0 -27.4 -13.9 11.1 -11.2 92 95 A Q H ><5S+ 0 0 108 -4,-2.1 3,-1.6 2,-0.2 -2,-0.2 0.908 105.8 52.6 -68.9 -42.3 -15.1 8.1 -13.3 93 96 A E H 3<5S+ 0 0 93 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.856 105.7 56.1 -55.7 -35.1 -11.9 8.4 -15.3 94 97 A L T 3<5S- 0 0 32 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.555 116.8-118.8 -70.4 -9.8 -10.2 8.3 -11.8 95 98 A G T < 5 + 0 0 70 -3,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.757 64.6 147.7 75.8 25.9 -12.1 5.0 -11.1 96 99 A C < - 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