==== 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 3OJT . 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 . 1427 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44955.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 926 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 118 8.3 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 . 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 . 90 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 119 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 173 12.1 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 8 0 0 4 0 4 0 2 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 3 12 5 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 0 179 0, 0.0 161,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -29.7 -0.0 67.5 -9.5 2 5 A I - 0 0 7 160,-0.2 92,-0.0 0, 0.0 2,-0.0 -0.925 360.0-129.0 -85.9 115.9 3.6 66.3 -9.7 3 6 A P - 0 0 89 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.346 9.8-112.5 -72.6 152.3 3.6 65.8 -13.4 4 7 A K - 0 0 143 1,-0.0 162,-0.0 2,-0.0 166,-0.0 -0.730 37.8-128.6 -78.5 118.2 4.8 62.6 -15.1 5 8 A P - 0 0 10 0, 0.0 4,-0.1 0, 0.0 85,-0.1 -0.294 4.5-133.8 -67.9 151.0 8.0 63.3 -17.0 6 9 A V S S+ 0 0 136 2,-0.1 3,-0.1 84,-0.1 84,-0.1 0.904 86.0 89.7 -64.0 -42.6 8.4 62.3 -20.6 7 10 A A S S- 0 0 21 82,-0.2 2,-0.0 1,-0.1 79,-0.0 -0.235 92.7-102.2 -54.5 139.1 11.9 60.9 -19.7 8 11 A P - 0 0 78 0, 0.0 82,-0.2 0, 0.0 -1,-0.1 -0.342 35.0-112.2 -65.6 144.9 11.9 57.3 -18.7 9 12 A A - 0 0 32 160,-0.2 2,-0.2 -4,-0.1 78,-0.1 -0.381 35.6-105.9 -68.0 151.0 12.1 56.5 -15.0 10 13 A P - 0 0 4 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 -0.544 33.5-108.1 -72.7 149.6 15.3 54.7 -13.8 11 14 A D - 0 0 47 -2,-0.2 68,-2.3 69,-0.1 2,-0.4 -0.726 39.4-161.6 -80.6 101.9 15.0 51.0 -12.9 12 15 A I E -A 78 0A 1 -2,-1.0 66,-0.3 158,-0.3 3,-0.1 -0.720 12.5-171.2 -91.5 130.9 15.3 51.0 -9.1 13 16 A L E - 0 0 7 64,-3.1 2,-0.3 -2,-0.4 65,-0.2 0.898 54.9 -50.1 -84.3 -49.2 16.2 47.7 -7.5 14 17 A R E -A 77 0A 11 63,-1.0 63,-2.1 178,-0.1 -1,-0.3 -0.965 63.2 -67.6-176.2 161.6 15.7 48.3 -3.8 15 18 A C E +A 76 0A 0 136,-0.3 61,-0.3 -2,-0.3 135,-0.1 -0.540 50.1 175.0 -64.2 138.6 16.5 50.5 -0.9 16 19 A A E - 0 0 0 59,-3.1 2,-0.3 1,-0.4 60,-0.2 0.718 47.5 -16.6-123.2 -46.1 20.2 50.2 -0.3 17 20 A Y E -A 75 0A 0 58,-1.7 58,-3.0 34,-0.0 2,-0.4 -0.995 44.9-137.2-159.8 160.4 21.5 52.5 2.5 18 21 A A E -Ab 74 61A 0 42,-1.6 44,-2.7 -2,-0.3 2,-0.6 -0.973 11.5-148.1-117.9 139.2 20.8 55.6 4.7 19 22 A E E -Ab 73 62A 5 54,-2.8 53,-3.1 -2,-0.4 54,-1.4 -0.942 23.1-172.2 -98.4 118.8 23.2 58.3 5.6 20 23 A L E -Ab 71 63A 0 42,-3.3 44,-3.0 -2,-0.6 2,-0.4 -0.945 18.5-140.1-116.4 128.7 22.4 59.6 9.1 21 24 A V E -Ab 70 64A 9 49,-3.0 49,-1.2 -2,-0.5 2,-0.3 -0.732 27.7-177.7 -83.1 129.5 23.9 62.7 10.7 22 25 A V E - b 0 65A 0 42,-2.4 44,-2.1 -2,-0.4 3,-0.2 -0.926 27.7-141.3-127.5 156.9 24.6 62.1 14.3 23 26 A T S S+ 0 0 58 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.692 90.2 36.4 -92.1 -28.5 26.0 64.3 17.0 24 27 A D > - 0 0 69 1,-0.1 4,-2.3 2,-0.0 -1,-0.2 -0.890 62.9-168.6-132.3 105.6 28.1 61.9 19.1 25 28 A L H > S+ 0 0 20 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.882 85.7 52.0 -66.2 -39.3 29.9 59.3 17.1 26 29 A A H > S+ 0 0 73 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.889 110.9 46.4 -63.0 -44.5 31.0 57.2 20.0 27 30 A K H > S+ 0 0 135 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.901 114.4 47.8 -64.2 -43.8 27.5 57.0 21.6 28 31 A S H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.907 108.8 54.0 -65.5 -41.9 25.9 56.1 18.3 29 32 A R H X>S+ 0 0 75 -4,-2.6 4,-2.9 -5,-0.2 5,-1.0 0.910 107.7 52.2 -56.0 -41.2 28.6 53.5 17.6 30 33 A N H <>S+ 0 0 83 -4,-1.9 5,-2.2 3,-0.2 4,-0.4 0.921 112.4 44.3 -62.8 -46.5 27.7 52.0 20.9 31 34 A F H <>S+ 0 0 13 -4,-2.0 5,-2.6 3,-0.2 4,-0.2 0.970 121.9 35.9 -57.3 -58.6 24.0 51.8 20.0 32 35 A Y H <5S+ 0 0 0 -4,-2.9 6,-2.3 3,-0.2 -2,-0.2 0.856 132.1 25.5 -74.6 -36.2 24.4 50.4 16.5 33 36 A V T X5S+ 0 0 26 -4,-2.9 4,-0.9 -5,-0.3 -3,-0.2 0.917 130.2 33.7 -89.9 -55.2 27.4 48.2 17.0 34 37 A D T 4 - 0 0 0 -2,-0.3 3,-1.0 -14,-0.2 83,-0.3 -0.285 40.8 -96.7 -82.7 169.6 23.8 43.9 7.9 53 56 A F T 3 S+ 0 0 0 94,-2.4 82,-0.5 1,-0.2 85,-0.2 0.814 120.1 37.6 -59.2 -37.1 24.6 40.2 8.2 54 57 A E T 3 S+ 0 0 4 94,-2.3 -1,-0.2 81,-0.2 2,-0.2 0.362 90.0 116.5-101.5 5.2 23.6 39.2 4.6 55 58 A E < + 0 0 6 -3,-1.0 80,-0.5 93,-0.2 81,-0.1 -0.487 34.0 177.3 -79.3 143.8 24.8 42.3 2.8 56 59 A F + 0 0 1 -2,-0.2 76,-2.5 78,-0.2 -1,-0.1 0.544 59.1 88.5-114.5 -17.7 27.5 42.3 0.1 57 60 A I S S- 0 0 0 74,-0.2 74,-0.2 1,-0.1 52,-0.1 -0.356 98.8 -94.8 -73.8 171.0 27.4 46.0 -0.9 58 61 A H S S- 0 0 18 50,-0.5 2,-0.3 72,-0.2 -1,-0.1 0.830 91.1 -15.0 -65.1 -35.7 29.7 48.2 1.1 59 62 A H - 0 0 0 49,-0.1 -8,-0.3 1,-0.1 -1,-0.1 -0.990 31.2-157.5-161.3 159.6 27.2 49.4 3.6 60 63 A N S S+ 0 0 0 -10,-3.0 -42,-1.6 1,-0.3 2,-0.3 0.444 90.6 32.0-111.6 -15.7 23.5 49.8 4.7 61 64 A L E -bD 18 50A 1 -11,-2.1 -11,-3.1 -44,-0.2 2,-0.5 -0.986 58.2-167.5-147.0 132.6 24.1 52.6 7.1 62 65 A V E -bD 19 49A 0 -44,-2.7 -42,-3.3 -2,-0.3 2,-0.6 -0.986 9.8-159.9-118.2 121.4 26.5 55.5 7.2 63 66 A L E -bD 20 48A 0 -15,-2.7 -15,-2.0 -2,-0.5 2,-0.5 -0.910 13.2-169.7 -98.0 119.2 26.7 57.4 10.5 64 67 A T E -bD 21 47A 19 -44,-3.0 -42,-2.4 -2,-0.6 -17,-0.2 -0.952 21.2-125.6-115.6 125.3 28.2 60.9 9.8 65 68 A K E +b 22 0A 106 -19,-2.8 -42,-0.2 -2,-0.5 -44,-0.1 -0.455 49.0 141.3 -66.9 137.0 29.2 63.2 12.6 66 69 A G - 0 0 17 -44,-2.1 3,-0.1 -2,-0.1 -41,-0.0 -0.962 60.5-102.0-165.4 177.3 27.6 66.6 12.3 67 70 A P S S+ 0 0 126 0, 0.0 2,-0.5 0, 0.0 -44,-0.1 0.741 104.3 45.5 -86.8 -20.4 26.1 69.4 14.4 68 71 A V S S- 0 0 57 -46,-0.1 -47,-0.1 2,-0.0 2,-0.1 -0.952 82.1-129.7-128.9 115.5 22.4 68.6 13.6 69 72 A A + 0 0 22 -2,-0.5 238,-0.4 -3,-0.1 2,-0.3 -0.390 55.5 120.1 -62.6 129.4 21.0 65.1 13.8 70 73 A A E -A 21 0A 0 -49,-1.2 -49,-3.0 236,-0.1 2,-0.5 -0.971 67.5 -77.4-175.8 163.0 19.1 64.4 10.5 71 74 A L E +Ae 20 308A 0 236,-2.6 238,-3.0 -2,-0.3 -51,-0.2 -0.756 37.5 178.5 -76.2 124.8 18.7 62.2 7.4 72 75 A K E - 0 0 76 -53,-3.1 2,-0.3 -2,-0.5 -52,-0.2 0.757 66.0 -2.8 -97.5 -32.0 21.3 63.2 4.9 73 76 A A E -A 19 0A 0 -54,-1.4 -54,-2.8 41,-0.0 2,-0.6 -0.937 46.9-157.4-161.8 132.1 20.5 60.7 2.2 74 77 A M E -Af 18 123A 0 48,-2.8 50,-2.0 -2,-0.3 2,-0.4 -0.982 32.7-157.2-108.6 115.6 18.1 57.8 1.5 75 78 A A E -Af 17 124A 0 -58,-3.0 -59,-3.1 -2,-0.6 -58,-1.7 -0.833 16.3-171.4-108.7 134.6 19.8 55.7 -1.2 76 79 A F E -Af 15 125A 0 48,-2.7 50,-1.5 -2,-0.4 2,-0.4 -0.933 23.0-128.6-115.1 140.6 18.3 53.3 -3.7 77 80 A R E -Af 14 126A 0 -63,-2.1 -64,-3.1 -2,-0.4 -63,-1.0 -0.725 21.4-148.0 -91.8 136.5 20.4 51.1 -6.0 78 81 A V E -A 12 0A 0 48,-2.8 -66,-0.2 -2,-0.4 6,-0.1 -0.637 21.1-114.0-103.9 163.0 19.5 51.1 -9.7 79 82 A R S S+ 0 0 103 -68,-2.3 -67,-0.1 -2,-0.2 -1,-0.1 0.840 89.1 10.2 -71.4 -34.6 19.9 48.1 -12.1 80 83 A T S >> S- 0 0 32 -69,-0.2 3,-1.5 1,-0.1 4,-0.6 -0.930 75.6-106.5-141.7 160.5 22.7 49.5 -14.4 81 84 A P H >> S+ 0 0 65 0, 0.0 3,-1.5 0, 0.0 4,-0.7 0.900 119.5 60.0 -55.9 -36.7 25.1 52.3 -14.6 82 85 A E H 3> S+ 0 0 118 1,-0.3 4,-1.4 2,-0.2 5,-0.1 0.652 91.4 68.8 -66.4 -17.1 22.9 53.8 -17.4 83 86 A D H <> S+ 0 0 6 -3,-1.5 4,-2.4 2,-0.2 -1,-0.3 0.734 91.0 60.4 -72.4 -21.3 20.0 54.0 -14.9 84 87 A V H S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.2 -1,-0.2 0.766 110.0 58.5 -71.8 -24.6 14.6 64.5 -11.9 92 95 A Q H ><5S+ 0 0 103 -4,-1.7 3,-1.8 -5,-0.2 -1,-0.2 0.928 105.7 49.1 -64.4 -45.6 15.8 67.4 -14.2 93 96 A E H 3<5S+ 0 0 95 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.853 105.9 57.0 -65.6 -34.4 12.5 67.3 -16.1 94 97 A L T 3<5S- 0 0 28 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.491 117.0-118.1 -70.6 -4.0 10.7 67.4 -12.7 95 98 A G T < 5 + 0 0 69 -3,-1.8 2,-0.2 1,-0.2 -3,-0.2 0.695 62.7 150.7 75.9 21.5 12.6 70.7 -12.0 96 99 A C < - 0 0 18 -5,-2.5 2,-0.2 1,-0.1 -1,-0.2 -0.564 52.7-108.3 -88.7 149.1 14.4 69.2 -9.0 97 100 A R - 0 0 102 19,-0.5 19,-2.0 -2,-0.2 2,-0.3 -0.565 45.7-178.9 -69.9 135.1 17.8 70.2 -7.8 98 101 A T E -G 115 0A 29 -2,-0.2 2,-0.3 17,-0.2 17,-0.2 -0.947 20.6-165.4-137.9 159.2 20.4 67.5 -8.5 99 102 A E E -G 114 0A 58 15,-2.4 15,-3.3 -2,-0.3 2,-0.5 -0.959 8.9-162.1-148.2 128.5 24.1 66.8 -7.9 100 103 A R E -G 113 0A 71 -2,-0.3 2,-0.5 13,-0.2 13,-0.2 -0.953 6.7-177.1-121.6 122.3 26.1 64.1 -9.7 101 104 A R E > -G 112 0A 114 11,-2.5 11,-1.9 -2,-0.5 3,-1.9 -0.957 17.9-157.6-124.0 117.0 29.5 62.7 -8.5 102 105 A K T 3 S+ 0 0 142 -2,-0.5 9,-0.5 1,-0.3 -1,-0.1 0.725 98.8 42.9 -61.4 -22.4 31.4 60.1 -10.5 103 106 A D T 3 S- 0 0 123 1,-0.2 -1,-0.3 7,-0.2 6,-0.2 0.207 115.0-112.5-112.3 12.2 33.3 59.0 -7.4 104 107 A G < - 0 0 12 -3,-1.9 -1,-0.2 8,-0.2 7,-0.1 0.143 10.4-105.5 84.6 161.7 30.4 59.0 -4.9 105 108 A F S S+ 0 0 38 5,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.633 102.4 30.7 -94.8 -28.2 29.4 61.1 -1.8 106 109 A V S > S- 0 0 8 4,-0.2 3,-1.1 3,-0.1 -1,-0.1 -0.883 100.3 -82.4-128.5 160.4 30.4 58.4 0.8 107 110 A K T 3 S+ 0 0 98 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.288 110.1 28.2 -60.1 145.1 33.0 55.7 0.8 108 111 A G T 3 S+ 0 0 15 1,-0.2 22,-2.2 21,-0.1 -50,-0.5 0.473 99.6 95.5 83.7 3.4 32.2 52.4 -1.0 109 112 A I B < -I 129 0B 8 -3,-1.1 20,-0.3 20,-0.2 -1,-0.2 -0.980 53.1-167.9-123.7 136.7 29.8 54.0 -3.6 110 113 A G + 0 0 13 18,-2.6 -7,-0.2 -2,-0.4 -5,-0.2 0.221 61.7 10.4 -94.4-136.7 30.9 55.1 -7.1 111 114 A D S S+ 0 0 21 -9,-0.5 16,-0.8 -8,-0.2 17,-0.4 -0.132 79.3 171.8 -48.6 121.3 29.0 57.2 -9.6 112 115 A A E -GH 101 126A 0 -11,-1.9 -11,-2.5 14,-0.2 2,-0.5 -0.985 29.0-152.2-140.6 145.3 26.0 58.6 -7.7 113 116 A L E -GH 100 125A 0 12,-2.4 12,-2.7 -2,-0.3 2,-0.3 -0.988 13.2-168.1-116.7 125.4 23.2 61.1 -8.2 114 117 A R E +GH 99 124A 13 -15,-3.3 -15,-2.4 -2,-0.5 2,-0.3 -0.876 11.9 178.5-109.3 148.4 21.7 62.9 -5.2 115 118 A V E -GH 98 123A 0 8,-2.4 8,-1.3 -2,-0.3 2,-0.7 -0.977 36.6-128.9-142.8 154.9 18.5 65.0 -5.5 116 119 A E E - 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