==== 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 20-MAY-00 1F1V . COMPND 2 MOLECULE: HOMOPROTOCATECHUATE 2,3-DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTHROBACTER GLOBIFORMIS; . AUTHOR M.W.VETTING,J.D.LIPSCOMB,L.P.WACKETT,L.QUE JR.,D.H.OHLENDORF . 640 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23200.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 441 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 170 26.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 46 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 2 0 0 2 0 2 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 6 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 . 10 2 0 10 2 4 2 2 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 2 2 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 F 0 0 184 0, 0.0 161,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 144.5 26.5 1.7 38.2 2 5 A V - 0 0 14 160,-0.3 92,-0.0 1,-0.1 0, 0.0 -0.520 360.0-106.8 -68.3 135.1 24.4 4.6 39.2 3 6 A P - 0 0 95 0, 0.0 -1,-0.1 0, 0.0 91,-0.0 -0.267 27.8-116.5 -61.6 154.0 23.0 4.0 42.7 4 7 A T - 0 0 97 -3,-0.1 162,-0.0 1,-0.0 166,-0.0 -0.874 34.1-127.4 -96.5 114.6 19.3 3.2 43.0 5 8 A P - 0 0 16 0, 0.0 4,-0.1 0, 0.0 85,-0.1 -0.035 5.0-131.5 -56.7 159.5 17.5 6.0 45.1 6 9 A S S S+ 0 0 105 2,-0.1 84,-0.1 84,-0.1 -2,-0.0 0.622 88.0 77.4 -89.9 -14.8 15.3 5.2 48.1 7 10 A V S S- 0 0 47 82,-0.1 79,-0.0 83,-0.1 0, 0.0 -0.676 96.0 -96.1 -91.1 151.2 12.5 7.4 46.8 8 11 A P - 0 0 103 0, 0.0 82,-0.1 0, 0.0 -1,-0.1 -0.285 39.5-105.6 -66.7 153.8 10.3 6.2 44.0 9 12 A A - 0 0 29 160,-0.2 78,-0.1 1,-0.1 2,-0.1 -0.355 42.8 -95.4 -72.3 152.1 10.9 7.1 40.4 10 13 A P - 0 0 2 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 -0.499 42.1-111.1 -66.8 145.6 8.6 9.7 38.8 11 14 A D - 0 0 49 -2,-0.1 68,-2.5 69,-0.1 2,-0.4 -0.730 39.3-157.6 -80.8 103.6 5.8 7.9 36.8 12 15 A I E -A 78 0A 2 -2,-1.0 66,-0.3 158,-0.3 3,-0.1 -0.725 19.0-173.3 -90.4 126.9 6.7 8.7 33.2 13 16 A V E - 0 0 9 64,-2.8 2,-0.3 -2,-0.4 65,-0.2 0.931 59.2 -49.3 -83.3 -44.0 4.0 8.6 30.5 14 17 A R E -A 77 0A 9 63,-1.1 63,-2.3 178,-0.1 -1,-0.3 -0.984 62.2 -72.1-177.5 165.4 6.1 9.2 27.2 15 18 A C E +A 76 0A 1 136,-0.3 61,-0.3 -2,-0.3 3,-0.1 -0.523 49.4 177.1 -68.6 145.7 8.7 11.3 25.5 16 19 A A E - 0 0 0 59,-3.0 2,-0.3 1,-0.4 60,-0.2 0.720 46.3 -16.0-123.9 -40.8 7.0 14.6 24.7 17 20 A Y E -A 75 0A 0 58,-1.4 58,-2.9 34,-0.0 2,-0.4 -0.995 44.3-138.4-163.0 163.9 9.3 17.1 23.1 18 21 A M E -Ab 74 61A 0 42,-1.5 44,-2.1 -2,-0.3 2,-0.7 -0.981 14.0-143.4-128.6 140.5 12.8 18.2 22.4 19 22 A E E -Ab 73 62A 8 54,-2.2 53,-2.2 -2,-0.4 54,-1.2 -0.920 25.1-169.9-104.8 117.2 14.3 21.7 22.6 20 23 A I E -Ab 71 63A 0 42,-3.3 44,-2.6 -2,-0.7 2,-0.5 -0.892 16.4-143.7-110.9 137.7 16.8 22.2 19.8 21 24 A V E -Ab 70 64A 3 49,-3.3 49,-1.3 -2,-0.4 2,-0.3 -0.888 23.2-174.6-101.0 126.5 19.3 25.1 19.3 22 25 A V E - b 0 65A 0 42,-2.5 44,-2.4 -2,-0.5 3,-0.2 -0.824 27.0-136.2-115.8 159.6 19.8 26.1 15.7 23 26 A T S S+ 0 0 58 1,-0.3 2,-0.4 -2,-0.3 -1,-0.1 0.768 95.7 26.4 -91.1 -23.0 22.2 28.6 14.1 24 27 A D > - 0 0 69 1,-0.1 4,-2.3 41,-0.0 3,-0.3 -0.881 66.0-164.8-140.5 100.8 19.9 30.3 11.6 25 28 A L H > S+ 0 0 14 -2,-0.4 4,-2.9 -3,-0.2 5,-0.2 0.833 88.6 53.9 -55.8 -37.2 16.2 30.2 12.6 26 29 A A H > S+ 0 0 73 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.892 109.7 46.2 -66.6 -40.9 15.0 31.1 9.1 27 30 A K H > S+ 0 0 83 -3,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.914 115.4 47.8 -67.5 -41.6 16.9 28.4 7.4 28 31 A S H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.922 107.8 54.6 -67.2 -42.9 15.7 25.9 10.0 29 32 A R H X>S+ 0 0 70 -4,-2.9 4,-3.1 1,-0.2 5,-1.0 0.928 104.8 55.1 -55.5 -45.2 12.1 27.0 9.7 30 33 A E H <>S+ 0 0 115 -4,-1.8 5,-2.0 3,-0.2 -1,-0.2 0.942 112.7 42.3 -55.4 -44.8 12.3 26.4 6.0 31 34 A F H <>S+ 0 0 12 -4,-1.7 5,-2.7 3,-0.2 4,-0.3 0.971 121.0 38.9 -67.8 -51.5 13.4 22.8 6.6 32 35 A Y H <5S+ 0 0 0 -4,-2.8 6,-2.3 3,-0.2 -2,-0.2 0.827 131.7 22.8 -70.7 -32.3 11.0 22.0 9.4 33 36 A V T X5S+ 0 0 24 -4,-3.1 4,-1.1 -5,-0.3 -3,-0.2 0.881 130.0 34.9-100.5 -60.4 7.9 23.8 8.1 34 37 A D T 4 - 0 0 0 -2,-0.3 3,-1.5 -14,-0.2 83,-0.3 -0.334 42.4 -93.6 -88.4 167.3 2.9 16.9 14.7 53 56 A L T 3 S+ 0 0 0 94,-2.3 82,-1.0 1,-0.3 83,-0.2 0.873 119.4 37.5 -53.3 -45.2 -0.6 16.2 13.2 54 57 A E T 3 S+ 0 0 9 94,-2.1 -1,-0.3 81,-0.2 2,-0.2 0.315 89.7 114.9 -95.1 14.2 -2.1 14.2 16.0 55 58 A E < + 0 0 5 -3,-1.5 80,-0.5 1,-0.1 81,-0.1 -0.552 36.0 179.8 -86.0 143.2 -0.6 16.0 18.9 56 59 A F + 0 0 2 -2,-0.2 76,-2.4 78,-0.1 -1,-0.1 0.560 58.0 88.8-115.3 -15.9 -2.8 17.9 21.4 57 60 A I B S-I 131 0B 0 74,-0.2 74,-0.2 1,-0.1 52,-0.1 -0.370 97.9 -93.7 -76.6 165.0 -0.1 19.2 23.8 58 61 A H S S- 0 0 0 72,-0.6 2,-0.3 50,-0.3 -1,-0.1 0.807 91.5 -15.3 -52.5 -40.8 1.5 22.5 22.9 59 62 A H - 0 0 0 1,-0.1 -8,-0.3 49,-0.1 3,-0.1 -0.992 31.0-159.1-162.2 159.5 4.5 21.3 21.0 60 63 A N S S+ 0 0 0 -10,-3.4 -42,-1.5 1,-0.3 2,-0.3 0.467 90.1 33.2-113.5 -18.1 6.8 18.4 20.1 61 64 A L E -bD 18 50A 0 -11,-2.1 -11,-2.9 -44,-0.2 2,-0.5 -0.997 59.3-164.8-141.9 140.8 9.7 20.5 19.0 62 65 A V E -bD 19 49A 1 -44,-2.1 -42,-3.3 -2,-0.3 2,-0.5 -0.997 9.5-160.1-124.2 124.0 11.1 23.9 20.0 63 66 A L E -bD 20 48A 0 -15,-2.9 -15,-2.3 -2,-0.5 2,-0.4 -0.929 13.4-175.8-104.2 130.5 13.5 25.6 17.7 64 67 A R E -bD 21 47A 80 -44,-2.6 -42,-2.5 -2,-0.5 2,-0.2 -0.986 25.5-123.0-131.8 129.8 15.7 28.2 19.4 65 68 A Q E +b 22 0A 75 -19,-2.1 -42,-0.2 -2,-0.4 -44,-0.0 -0.517 48.0 148.6 -68.9 133.3 18.2 30.5 17.8 66 69 A G - 0 0 15 -44,-2.4 3,-0.1 -2,-0.2 -41,-0.0 -0.980 56.7-106.4-161.1 166.6 21.7 30.2 19.4 67 70 A P S S+ 0 0 132 0, 0.0 2,-0.5 0, 0.0 -44,-0.1 0.813 104.6 38.0 -70.2 -32.5 25.5 30.4 18.8 68 71 A I S S- 0 0 84 -46,-0.1 2,-0.1 -3,-0.0 -47,-0.1 -0.976 85.7-122.8-125.4 123.5 26.2 26.7 18.9 69 72 A A + 0 0 24 -2,-0.5 238,-0.4 -3,-0.1 2,-0.3 -0.404 58.8 126.8 -60.9 131.1 23.8 24.0 17.4 70 73 A A E -A 21 0A 0 -49,-1.3 -49,-3.3 236,-0.1 2,-0.6 -0.977 61.8 -93.1-171.8 171.7 23.0 21.6 20.2 71 74 A V E -Ae 20 308A 0 236,-2.6 238,-2.4 -2,-0.3 -51,-0.2 -0.881 28.2-175.1-104.3 123.5 20.1 20.0 22.1 72 75 A A E + 0 0 8 -53,-2.2 2,-0.3 -2,-0.6 -52,-0.2 0.714 64.5 6.3 -88.9 -24.8 19.0 21.8 25.2 73 76 A A E -A 19 0A 0 -54,-1.2 -54,-2.2 2,-0.0 2,-0.6 -0.940 42.9-154.6-163.8 140.8 16.4 19.4 26.6 74 77 A F E -Af 18 123A 0 48,-2.2 50,-2.3 -2,-0.3 2,-0.4 -0.980 36.5-157.6-108.6 113.9 14.8 15.9 26.2 75 78 A A E -Af 17 124A 0 -58,-2.9 -59,-3.0 -2,-0.6 -58,-1.4 -0.841 14.5-172.2-106.9 136.4 11.4 16.3 27.7 76 79 A Y E -Af 15 125A 1 48,-2.7 50,-1.5 -2,-0.4 2,-0.4 -0.942 21.0-131.3-120.6 140.1 9.1 13.6 29.2 77 80 A R E -Af 14 126A 1 -63,-2.3 -64,-2.8 -2,-0.4 -63,-1.1 -0.761 23.4-151.2 -92.5 138.7 5.6 14.0 30.3 78 81 A V E -A 12 0A 0 48,-2.5 -66,-0.2 -2,-0.4 6,-0.1 -0.592 24.3-104.8-105.4 169.4 4.8 12.5 33.8 79 82 A K S S- 0 0 100 -68,-2.5 -67,-0.1 -2,-0.2 48,-0.1 0.752 87.4 -10.5 -68.4 -27.6 1.5 11.2 35.0 80 83 A S S >> S- 0 0 36 -69,-0.2 3,-1.6 1,-0.1 4,-0.6 -0.961 76.9 -87.9-163.2 167.7 0.3 14.0 37.4 81 84 A P H >> S+ 0 0 66 0, 0.0 3,-1.2 0, 0.0 4,-0.9 0.850 121.8 60.5 -54.4 -37.0 1.5 17.2 39.1 82 85 A A H 3> S+ 0 0 54 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.786 92.9 64.7 -65.6 -25.4 2.8 15.2 42.0 83 86 A E H <> S+ 0 0 43 -3,-1.6 4,-2.0 2,-0.2 -1,-0.3 0.722 92.4 62.9 -71.2 -20.2 5.2 13.3 39.7 84 87 A V H S+ 0 0 0 -4,-2.1 5,-2.6 2,-0.2 4,-0.3 0.806 110.7 57.0 -78.2 -27.3 17.5 13.3 41.0 92 95 A K H ><5S+ 0 0 111 -4,-2.0 3,-1.9 -5,-0.2 -1,-0.2 0.946 105.4 52.7 -67.1 -41.2 18.4 15.3 44.1 93 96 A E H 3<5S+ 0 0 92 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.794 105.6 54.3 -62.7 -26.7 18.9 12.0 45.9 94 97 A L T 3<5S- 0 0 35 -4,-0.8 -1,-0.3 -5,-0.1 -2,-0.2 0.473 119.2-113.2 -82.9 -4.5 21.3 10.9 43.0 95 98 A G T < 5 + 0 0 69 -3,-1.9 2,-0.2 -4,-0.3 -3,-0.2 0.708 65.4 150.4 81.1 20.9 23.3 14.1 43.6 96 99 A C < - 0 0 21 -5,-2.6 2,-0.3 1,-0.1 -1,-0.2 -0.595 53.9-106.7 -90.3 151.0 22.3 15.7 40.3 97 100 A R - 0 0 102 19,-0.4 19,-1.9 -2,-0.2 2,-0.3 -0.557 46.3-176.6 -70.7 130.6 22.0 19.3 39.6 98 101 A T E -G 115 0A 25 -2,-0.3 2,-0.4 17,-0.2 17,-0.2 -0.947 17.7-167.8-132.6 152.1 18.3 20.2 39.3 99 102 A E E -G 114 0A 62 15,-2.6 15,-2.9 -2,-0.3 2,-0.5 -0.946 6.5-164.4-142.7 121.3 16.4 23.3 38.4 100 103 A R E -G 113 0A 52 -2,-0.4 2,-0.5 13,-0.2 13,-0.2 -0.886 4.6-173.6-109.3 136.3 12.7 23.7 38.9 101 104 A R E > -G 112 0A 120 11,-2.7 11,-2.0 -2,-0.5 3,-1.9 -0.957 14.4-159.5-129.7 111.7 10.6 26.5 37.4 102 105 A K T 3 S+ 0 0 135 -2,-0.5 9,-0.3 1,-0.3 -1,-0.1 0.770 97.9 46.6 -56.3 -32.3 6.9 26.8 38.4 103 106 A E T 3 S- 0 0 188 1,-0.2 -1,-0.3 7,-0.1 6,-0.2 0.337 116.1-112.9 -96.4 7.7 6.2 28.7 35.3 104 107 A G < - 0 0 12 -3,-1.9 -1,-0.2 8,-0.2 7,-0.1 0.107 9.4-106.1 85.4 162.3 8.1 26.3 32.9 105 108 A F S S+ 0 0 39 5,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.663 100.9 33.2 -98.0 -24.8 11.1 26.5 30.7 106 109 A T S > S- 0 0 8 4,-0.2 3,-1.6 3,-0.1 -1,-0.2 -0.938 99.4 -85.6-129.3 154.7 9.4 26.8 27.3 107 110 A K T 3 S+ 0 0 103 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.282 111.3 25.1 -59.0 145.3 6.1 28.5 26.4 108 111 A G T 3 S+ 0 0 11 1,-0.2 22,-2.4 21,-0.1 2,-0.4 0.314 100.4 101.5 85.6 -8.9 3.0 26.4 26.8 109 112 A I B < -J 129 0C 9 -3,-1.6 20,-0.3 20,-0.2 -1,-0.2 -0.895 54.1-160.9-109.6 141.1 4.5 24.1 29.5 110 113 A G + 0 0 14 18,-2.6 -5,-0.3 -2,-0.4 -4,-0.2 0.204 56.7 2.6 -94.0-141.4 3.8 24.6 33.2 111 114 A D S S+ 0 0 18 -9,-0.3 16,-0.8 -8,-0.1 2,-0.3 -0.127 76.9 167.3 -47.6 117.2 5.6 23.4 36.4 112 115 A S E -GH 101 126A 0 -11,-2.0 -11,-2.7 14,-0.2 2,-0.4 -0.990 31.5-152.4-141.8 152.1 8.8 21.7 35.3 113 116 A V E -GH 100 125A 0 12,-2.2 12,-2.1 -2,-0.3 2,-0.4 -0.984 12.7-165.1-123.6 131.2 12.0 20.3 36.6 114 117 A R E -GH 99 124A 17 -15,-2.9 -15,-2.6 -2,-0.4 2,-0.3 -0.918 11.3-175.8-111.2 145.5 15.2 20.0 34.4 115 118 A V E -GH 98 123A 0 8,-2.6 8,-2.2 -2,-0.4 2,-0.9 -0.963 33.7-129.3-139.3 153.5 18.1 17.9 35.5 116 119 A E E - 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0 0 105 -22,-2.4 -72,-0.6 -2,-0.3 2,-0.2 -0.652 37.7-131.1 -75.8 137.4 -1.6 24.1 27.2 131 134 A H B -I 57 0B 84 -2,-0.3 2,-0.3 -74,-0.2 -74,-0.2 -0.628 26.6-171.6 -86.0 145.9 -3.9 22.0 24.9 132 135 A V - 0 0 34 -76,-2.4 2,-0.2 -2,-0.2 -91,-0.0 -0.782 41.0 -62.3-130.3 171.9 -4.2 23.1 21.3 133 136 A E - 0 0 110 -2,-0.3 2,-0.6 1,-0.1 -78,-0.1 -0.392 48.8-133.5 -61.1 121.5 -6.4 22.0 18.4 134 137 A R - 0 0 45 -2,-0.2 3,-0.4 1,-0.1 -80,-0.1 -0.693 15.0-159.5 -76.8 121.2 -5.7 18.3 17.6 135 138 A L > + 0 0 8 -82,-1.0 3,-2.3 -2,-0.6 -81,-0.2 0.263 51.3 122.7 -89.8 16.0 -5.3 18.2 13.8 136 139 A T T 3 S+ 0 0 11 1,-0.3 -1,-0.2 -83,-0.2 -82,-0.1 0.803 82.5 30.4 -44.5 -46.7 -6.0 14.5 13.4 137 140 A Q T 3 S+ 0 0 41 -3,-0.4 2,-1.9 1,-0.1 -1,-0.3 0.194 83.7 112.6-105.7 17.3 -9.0 14.9 11.1 138 141 A R X> + 0 0 74 -3,-2.3 3,-2.1 1,-0.2 4,-0.9 -0.509 33.0 161.3 -86.3 68.6 -7.9 18.1 9.3 139 142 A Y T 34 + 0 0 65 -2,-1.9 -1,-0.2 1,-0.3 -3,-0.0 0.605 65.7 72.3 -65.8 -14.1 -7.4 16.3 6.0 140 143 A D T 34 S+ 0 0 116 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.666 106.6 38.3 -70.9 -16.7 -7.5 19.7 4.3 141 144 A L T <4 S+ 0 0 71 -3,-2.1 -2,-0.2 -6,-0.2 -1,-0.2 0.626 87.2 120.1-103.9 -19.3 -4.1 20.2 5.8 142 145 A Y < - 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