==== 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 3OJJ . 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 . 1426 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44753.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 929 65.1 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 . 336 23.6 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 . 1 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 . 91 6.4 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 . 175 12.3 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 7 1 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 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 . 16 4 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 0 191 0, 0.0 161,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -39.4 -0.0 67.6 -9.4 2 5 A I - 0 0 8 160,-0.2 92,-0.0 1,-0.0 0, 0.0 -0.849 360.0-127.9 -82.5 118.8 3.6 66.4 -9.7 3 6 A P - 0 0 88 0, 0.0 -1,-0.0 0, 0.0 166,-0.0 -0.264 10.1-112.8 -74.5 156.0 3.7 65.8 -13.4 4 7 A K - 0 0 148 1,-0.0 162,-0.0 2,-0.0 3,-0.0 -0.780 38.2-124.6 -82.4 121.1 4.9 62.5 -15.1 5 8 A P - 0 0 9 0, 0.0 4,-0.1 0, 0.0 85,-0.1 -0.260 3.5-138.2 -62.9 150.8 8.1 63.2 -17.0 6 9 A V S S+ 0 0 135 2,-0.1 3,-0.1 84,-0.1 84,-0.1 0.895 87.7 88.8 -66.2 -41.6 8.5 62.4 -20.6 7 10 A A S S- 0 0 20 82,-0.2 2,-0.1 1,-0.1 79,-0.0 -0.257 93.9-104.3 -57.0 138.0 11.9 61.1 -19.6 8 11 A P - 0 0 76 0, 0.0 82,-0.2 0, 0.0 -1,-0.1 -0.330 33.8-111.8 -67.4 144.4 11.9 57.4 -18.6 9 12 A A - 0 0 31 160,-0.2 78,-0.1 -4,-0.1 2,-0.1 -0.389 35.1-104.6 -69.4 147.0 12.2 56.6 -14.9 10 13 A P - 0 0 4 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 -0.479 34.2-110.2 -62.5 144.8 15.3 54.9 -13.7 11 14 A D - 0 0 48 -2,-0.1 68,-2.4 69,-0.1 2,-0.4 -0.744 39.2-160.3 -78.3 102.3 15.0 51.1 -13.0 12 15 A I E -A 78 0A 1 -2,-1.0 66,-0.3 158,-0.3 3,-0.1 -0.721 13.1-170.2 -88.4 129.4 15.3 51.1 -9.2 13 16 A L E - 0 0 9 64,-3.0 2,-0.3 -2,-0.4 65,-0.2 0.912 55.5 -51.7 -80.5 -48.4 16.2 47.7 -7.6 14 17 A R E -A 77 0A 9 63,-1.1 63,-1.9 178,-0.1 -1,-0.3 -0.967 63.9 -66.6-176.8 160.9 15.7 48.4 -3.9 15 18 A C E +A 76 0A 0 136,-0.3 61,-0.3 -2,-0.3 135,-0.1 -0.528 50.6 175.4 -62.6 143.2 16.4 50.6 -0.9 16 19 A A E - 0 0 0 59,-3.0 2,-0.3 1,-0.4 60,-0.2 0.704 47.5 -18.6-126.2 -45.9 20.2 50.2 -0.3 17 20 A Y E -A 75 0A 0 58,-1.5 58,-3.3 34,-0.0 -1,-0.4 -0.988 44.5-138.3-160.9 161.0 21.4 52.5 2.5 18 21 A A E -Ab 74 61A 0 42,-1.4 44,-2.7 -2,-0.3 2,-0.6 -0.970 11.6-147.4-118.6 141.1 20.7 55.6 4.6 19 22 A E E -Ab 73 62A 5 54,-3.0 53,-2.8 -2,-0.4 54,-1.4 -0.951 22.2-172.1-100.5 118.1 23.2 58.3 5.6 20 23 A L E -Ab 71 63A 0 42,-2.9 44,-2.7 -2,-0.6 2,-0.4 -0.931 19.4-136.8-111.9 129.8 22.3 59.6 9.1 21 24 A V E -Ab 70 64A 9 49,-3.5 49,-1.1 -2,-0.5 2,-0.3 -0.722 28.0-172.7 -80.7 134.0 24.0 62.6 10.6 22 25 A V E - b 0 65A 0 42,-2.4 44,-2.1 -2,-0.4 3,-0.2 -0.930 25.5-142.7-129.3 151.4 24.7 61.9 14.3 23 26 A T S S+ 0 0 63 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.728 91.8 33.0 -89.8 -27.3 26.0 64.3 17.0 24 27 A D > - 0 0 61 1,-0.1 4,-2.2 41,-0.0 -1,-0.3 -0.913 64.1-166.8-133.7 106.1 28.2 61.9 19.0 25 28 A L H > S+ 0 0 20 -2,-0.4 4,-3.1 1,-0.2 5,-0.2 0.911 86.9 52.8 -65.6 -39.7 29.9 59.2 16.9 26 29 A A H > S+ 0 0 72 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.883 111.1 45.0 -62.5 -43.1 31.0 57.1 19.9 27 30 A K H > S+ 0 0 136 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.890 114.2 49.8 -69.7 -37.8 27.5 56.9 21.5 28 31 A S H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.928 109.0 52.2 -65.9 -42.4 26.0 56.1 18.1 29 32 A R H X>S+ 0 0 71 -4,-3.1 4,-3.0 1,-0.2 5,-1.0 0.911 106.7 54.1 -54.9 -46.5 28.6 53.4 17.5 30 33 A N H <>S+ 0 0 83 -4,-2.0 5,-2.7 3,-0.2 -1,-0.2 0.899 112.4 43.9 -56.9 -43.3 27.7 51.8 20.8 31 34 A F H <>S+ 0 0 12 -4,-1.7 5,-2.6 3,-0.2 -2,-0.2 0.967 122.0 34.6 -64.0 -58.1 24.1 51.7 19.9 32 35 A Y H <5S+ 0 0 0 -4,-2.6 6,-2.4 3,-0.2 -2,-0.2 0.826 132.7 26.1 -74.0 -34.8 24.4 50.4 16.3 33 36 A V T X5S+ 0 0 25 -4,-3.0 4,-1.2 -5,-0.3 -3,-0.2 0.901 130.9 32.0 -92.7 -57.8 27.5 48.1 16.8 34 37 A D T 4 - 0 0 0 -2,-0.3 3,-1.1 -14,-0.2 83,-0.3 -0.323 42.0 -96.0 -81.6 168.9 23.7 43.8 7.9 53 56 A F T 3 S+ 0 0 0 94,-2.4 82,-0.5 1,-0.2 85,-0.2 0.829 120.4 37.7 -59.1 -35.9 24.6 40.1 8.1 54 57 A E T 3 S+ 0 0 3 94,-2.2 -1,-0.2 81,-0.2 2,-0.2 0.385 89.3 117.1-102.3 5.8 23.5 39.2 4.5 55 58 A E < + 0 0 5 -3,-1.1 80,-0.6 93,-0.1 81,-0.1 -0.446 33.8 177.2 -79.9 144.1 24.7 42.3 2.7 56 59 A F + 0 0 0 -2,-0.2 76,-2.4 78,-0.2 -1,-0.1 0.521 59.4 88.7-114.4 -19.2 27.4 42.2 -0.0 57 60 A I S S- 0 0 0 74,-0.2 74,-0.2 1,-0.1 52,-0.1 -0.369 99.0 -94.8 -74.3 166.7 27.3 45.9 -1.0 58 61 A H S S- 0 0 17 50,-0.4 2,-0.3 72,-0.3 -1,-0.1 0.851 90.4 -19.2 -57.5 -39.1 29.6 48.2 1.0 59 62 A H - 0 0 0 49,-0.1 -8,-0.3 1,-0.1 -1,-0.1 -0.992 30.7-155.1-162.3 161.8 27.1 49.3 3.6 60 63 A N S S+ 0 0 0 -10,-3.1 -42,-1.4 -2,-0.3 2,-0.3 0.391 90.3 33.5-115.3 -9.3 23.4 49.8 4.6 61 64 A L E -bD 18 50A 0 -11,-1.9 -11,-3.1 -44,-0.2 2,-0.5 -0.953 58.6-167.0-153.6 126.7 24.0 52.6 7.0 62 65 A V E -bD 19 49A 0 -44,-2.7 -42,-2.9 -2,-0.3 2,-0.7 -0.979 9.0-159.5-115.3 119.1 26.5 55.5 7.2 63 66 A L E -bD 20 48A 0 -15,-2.8 -15,-2.1 -2,-0.5 2,-0.5 -0.914 14.1-171.6 -95.6 117.5 26.8 57.4 10.4 64 67 A T E -bD 21 47A 18 -44,-2.7 -42,-2.4 -2,-0.7 -17,-0.2 -0.947 21.9-125.4-113.8 124.4 28.3 60.8 9.7 65 68 A K E +b 22 0A 106 -19,-3.1 -42,-0.2 -2,-0.5 -44,-0.1 -0.438 48.8 139.2 -64.5 134.5 29.3 63.2 12.5 66 69 A G - 0 0 17 -44,-2.1 3,-0.1 -2,-0.2 -41,-0.0 -0.969 60.6 -99.4-165.4 179.3 27.7 66.6 12.3 67 70 A P S S+ 0 0 124 0, 0.0 2,-0.4 0, 0.0 -44,-0.1 0.727 104.3 42.6 -84.7 -22.0 26.1 69.4 14.3 68 71 A V S S- 0 0 57 -46,-0.1 -47,-0.1 2,-0.0 2,-0.1 -0.974 83.1-127.1-131.0 115.3 22.4 68.6 13.7 69 72 A A + 0 0 20 -2,-0.4 238,-0.4 -3,-0.1 2,-0.3 -0.415 55.4 124.3 -60.9 131.6 21.1 65.1 13.8 70 73 A A E -A 21 0A 0 -49,-1.1 -49,-3.5 236,-0.1 2,-0.5 -0.967 65.9 -80.5-175.6 161.3 19.2 64.4 10.5 71 74 A L E +Ae 20 308A 0 236,-2.9 238,-2.8 -2,-0.3 -51,-0.2 -0.738 36.9 178.4 -74.4 122.9 18.7 62.3 7.5 72 75 A K E - 0 0 73 -53,-2.8 2,-0.3 -2,-0.5 -52,-0.2 0.745 65.8 -4.1 -94.9 -30.9 21.3 63.3 4.9 73 76 A A E -A 19 0A 0 -54,-1.4 -54,-3.0 2,-0.0 2,-0.5 -0.913 46.0-157.3-164.2 134.8 20.5 60.7 2.1 74 77 A M E -Af 18 123A 0 48,-2.4 50,-2.3 -2,-0.3 2,-0.4 -0.991 33.4-154.1-110.9 117.6 18.2 57.8 1.6 75 78 A A E -Af 17 124A 0 -58,-3.3 -59,-3.0 -2,-0.5 -58,-1.5 -0.826 16.6-169.5-108.8 137.1 19.8 55.8 -1.2 76 79 A F E -Af 15 125A 0 48,-3.0 50,-1.5 -2,-0.4 2,-0.3 -0.950 20.9-132.4-117.7 135.4 18.3 53.4 -3.8 77 80 A R E -Af 14 126A 0 -63,-1.9 -64,-3.0 -2,-0.4 -63,-1.1 -0.726 20.7-149.0 -89.1 141.6 20.4 51.2 -6.0 78 81 A V E -A 12 0A 0 48,-2.8 -66,-0.2 -2,-0.3 6,-0.1 -0.651 21.3-113.5-109.4 164.3 19.5 51.2 -9.7 79 82 A R S S+ 0 0 101 -68,-2.4 -67,-0.1 -2,-0.2 -1,-0.1 0.849 89.2 9.4 -72.5 -35.1 19.9 48.2 -12.1 80 83 A T S >> S- 0 0 38 -69,-0.3 3,-1.7 1,-0.1 4,-0.6 -0.948 75.3-105.9-142.7 158.4 22.7 49.6 -14.4 81 84 A P H >> S+ 0 0 65 0, 0.0 3,-1.5 0, 0.0 4,-0.8 0.873 118.7 60.7 -51.0 -40.2 25.1 52.5 -14.7 82 85 A E H 3> S+ 0 0 116 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.715 92.0 68.6 -60.2 -24.3 22.9 54.1 -17.4 83 86 A D H <> S+ 0 0 5 -3,-1.7 4,-2.2 2,-0.2 -1,-0.3 0.771 91.8 58.8 -70.2 -20.8 20.0 54.2 -14.8 84 87 A V H S+ 0 0 0 -4,-2.6 5,-2.4 2,-0.2 4,-0.3 0.823 110.8 57.2 -70.4 -30.6 14.7 64.7 -11.8 92 95 A Q H ><5S+ 0 0 101 -4,-2.3 3,-1.5 -5,-0.2 -1,-0.2 0.926 106.5 50.7 -59.6 -44.9 16.0 67.6 -14.1 93 96 A E H 3<5S+ 0 0 95 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.852 106.4 54.0 -64.4 -34.7 12.6 67.3 -15.9 94 97 A L T 3<5S- 0 0 31 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.489 117.1-117.2 -74.7 -3.5 10.8 67.6 -12.6 95 98 A G T < 5 + 0 0 70 -3,-1.5 2,-0.2 -4,-0.3 -3,-0.2 0.728 62.8 150.7 75.1 22.8 12.8 70.8 -11.9 96 99 A C < - 0 0 19 -5,-2.4 -1,-0.2 1,-0.1 2,-0.2 -0.583 53.3-106.8 -87.4 147.2 14.5 69.3 -8.9 97 100 A R - 0 0 99 19,-0.4 19,-2.0 -2,-0.2 2,-0.3 -0.547 45.6-176.1 -62.7 135.5 17.9 70.3 -7.7 98 101 A T E -G 115 0A 30 -2,-0.2 2,-0.3 17,-0.2 17,-0.2 -0.961 19.4-167.8-135.9 156.4 20.4 67.6 -8.5 99 102 A E E -G 114 0A 60 15,-2.6 15,-3.1 -2,-0.3 2,-0.4 -0.954 9.0-164.2-144.7 126.7 24.1 66.9 -7.8 100 103 A R E -G 113 0A 70 -2,-0.3 2,-0.5 13,-0.2 13,-0.2 -0.943 5.2-174.5-119.5 126.7 26.1 64.1 -9.5 101 104 A R E > -G 112 0A 113 11,-2.7 11,-2.3 -2,-0.4 3,-1.7 -0.969 16.5-157.1-122.7 117.5 29.5 62.8 -8.3 102 105 A K T 3 S+ 0 0 150 -2,-0.5 9,-0.4 1,-0.3 -1,-0.1 0.740 98.7 41.9 -62.0 -24.4 31.4 60.2 -10.5 103 106 A D T 3 S- 0 0 126 1,-0.2 -1,-0.3 7,-0.2 6,-0.2 0.202 116.6-111.6-110.7 14.5 33.3 59.1 -7.4 104 107 A G < - 0 0 14 -3,-1.7 -1,-0.2 8,-0.2 7,-0.1 0.178 9.9-104.4 84.4 159.5 30.4 59.1 -4.9 105 108 A F S S+ 0 0 38 5,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.694 102.2 29.8 -87.7 -32.3 29.4 61.1 -1.9 106 109 A V S > S- 0 0 8 4,-0.2 3,-1.3 3,-0.1 -1,-0.1 -0.884 99.7 -81.6-128.1 158.1 30.3 58.4 0.7 107 110 A K T 3 S+ 0 0 92 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.290 111.5 26.3 -61.0 144.2 33.0 55.6 0.8 108 111 A G T 3 S+ 0 0 15 1,-0.2 22,-2.0 21,-0.1 -50,-0.4 0.484 100.5 96.8 81.1 4.8 32.2 52.4 -1.1 109 112 A I B < -I 129 0B 8 -3,-1.3 20,-0.3 20,-0.2 -1,-0.2 -0.971 53.3-168.2-119.4 137.3 29.7 54.1 -3.5 110 113 A G + 0 0 13 18,-2.5 -5,-0.2 -2,-0.4 -7,-0.2 0.241 61.2 9.3 -95.6-134.4 30.9 55.1 -7.0 111 114 A D S S+ 0 0 24 -9,-0.4 16,-0.7 -8,-0.2 17,-0.3 -0.184 80.2 173.9 -51.5 121.3 29.0 57.3 -9.5 112 115 A A E -GH 101 126A 0 -11,-2.3 -11,-2.7 14,-0.2 2,-0.5 -0.983 28.6-152.0-140.6 144.7 26.0 58.7 -7.6 113 116 A L E -GH 100 125A 0 12,-2.7 12,-2.7 -2,-0.3 2,-0.4 -0.978 12.6-168.4-114.7 123.5 23.2 61.2 -8.1 114 117 A R E -GH 99 124A 8 -15,-3.1 -15,-2.6 -2,-0.5 2,-0.3 -0.930 11.7-177.7-108.3 142.1 21.7 63.0 -5.1 115 118 A V E -GH 98 123A 0 8,-2.5 8,-1.9 -2,-0.4 2,-0.9 -0.983 35.8-130.9-136.8 148.4 18.5 65.0 -5.5 116 119 A E E - 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