==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 17-JUN-05 2BUV . COMPND 2 MOLECULE: PROTOCATECHUATE 3,4-DIOXYGENASE ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER CALCOACETICUS; . AUTHOR M.W.VETTING,M.P.VALLEY,D.A.D'ARGENIO,L.N.ORNSTON, . 440 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18969.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 248 56.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 18.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 0.2 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 . 39 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 2 3 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 RESIDUES PER ALPHA HELIX . 2 4 2 1 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 0 PARALLEL BRIDGES PER LADDER . 5 1 2 0 6 2 1 0 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 . 3 2 0 3 1 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 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 2,-0.3 0, 0.0 288,-0.2 0.000 360.0 360.0 360.0 149.3 -8.3 -25.2 19.1 2 5 A L - 0 0 54 286,-2.2 2,-0.3 285,-0.1 288,-0.0 -0.787 360.0-126.4-107.6 153.2 -6.4 -23.6 21.9 3 6 A K - 0 0 77 -2,-0.3 424,-0.1 1,-0.1 2,-0.0 -0.714 37.3-100.0 -92.5 146.9 -2.7 -23.7 22.9 4 7 A E - 0 0 11 -2,-0.3 424,-0.2 1,-0.1 -1,-0.1 -0.341 44.5-100.3 -59.8 142.4 -1.7 -24.7 26.5 5 8 A T - 0 0 5 422,-2.8 -1,-0.1 1,-0.1 424,-0.1 -0.460 50.1-106.8 -62.0 134.5 -0.9 -21.7 28.7 6 9 A P - 0 0 0 0, 0.0 211,-0.1 0, 0.0 -1,-0.1 -0.329 30.5-116.6 -71.5 148.1 2.9 -21.5 28.8 7 10 A S - 0 0 2 370,-0.1 2,-0.3 211,-0.1 370,-0.3 -0.387 28.7-174.0 -78.0 156.7 4.8 -22.5 31.9 8 11 A Q - 0 0 2 368,-1.7 132,-0.2 -2,-0.1 368,-0.1 -0.958 37.5 -86.0-146.5 151.8 6.9 -20.1 33.9 9 12 A T - 0 0 2 -2,-0.3 129,-0.2 1,-0.1 126,-0.1 -0.262 27.2-132.2 -56.8 150.6 9.2 -20.9 36.9 10 13 A G - 0 0 1 127,-0.5 3,-0.3 124,-0.4 125,-0.2 0.759 45.1-148.8 -76.2 -24.4 7.6 -21.0 40.3 11 14 A G > - 0 0 5 123,-0.4 3,-1.2 126,-0.2 124,-0.3 0.014 32.8 -61.2 80.8 173.5 10.4 -18.8 41.5 12 15 A P T 3 S+ 0 0 30 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.569 129.8 54.9 -72.0 -13.6 12.0 -18.7 45.0 13 16 A Y T >> + 0 0 21 -3,-0.3 3,-1.9 1,-0.2 4,-0.6 0.085 63.5 121.2-107.1 19.6 8.8 -17.7 46.9 14 17 A V H X> + 0 0 0 -3,-1.2 4,-2.0 1,-0.3 3,-0.5 0.796 64.9 71.9 -54.1 -25.7 6.7 -20.6 45.6 15 18 A H H 3> S+ 0 0 0 -3,-0.3 4,-2.1 1,-0.2 8,-0.3 0.820 84.3 67.7 -60.0 -31.8 6.2 -21.5 49.4 16 19 A I H <4 S+ 0 0 0 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.944 113.6 26.2 -55.0 -50.4 3.9 -18.6 49.9 17 20 A G H << S+ 0 0 1 -4,-0.6 -1,-0.2 -3,-0.5 -2,-0.2 0.788 135.0 30.7 -88.4 -23.8 1.2 -20.0 47.7 18 21 A L H < S+ 0 0 4 -4,-2.0 -3,-0.2 1,-0.1 -2,-0.2 0.726 133.8 18.3-107.5 -23.7 1.9 -23.7 48.0 19 22 A L >X + 0 0 20 -4,-2.1 3,-1.5 -5,-0.3 4,-0.9 -0.458 67.1 168.3-141.4 61.6 3.4 -24.3 51.5 20 23 A P T 34>S+ 0 0 6 0, 0.0 5,-2.7 0, 0.0 3,-0.4 0.783 72.6 62.3 -50.6 -32.5 2.5 -21.2 53.5 21 24 A K T >45S+ 0 0 119 1,-0.3 3,-1.5 3,-0.2 5,-0.1 0.879 100.6 55.5 -62.3 -34.3 3.5 -22.6 56.9 22 25 A Q T <45S+ 0 0 53 -3,-1.5 -1,-0.3 1,-0.3 -6,-0.1 0.823 108.5 46.2 -70.0 -27.4 7.1 -22.9 55.5 23 26 A A T 3<5S- 0 0 4 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.308 123.6-109.4 -90.7 8.1 7.0 -19.1 54.7 24 27 A N T < 5S+ 0 0 125 -3,-1.5 2,-0.5 1,-0.2 -3,-0.2 0.911 72.8 140.9 64.3 45.0 5.5 -18.5 58.2 25 28 A I < - 0 0 0 -5,-2.7 2,-0.9 -6,-0.1 3,-0.3 -0.947 33.4-169.0-121.0 110.5 2.1 -17.6 56.9 26 29 A E + 0 0 154 -2,-0.5 3,-0.1 1,-0.2 -5,-0.0 -0.886 42.2 120.8-101.4 105.9 -0.8 -19.0 58.9 27 30 A V + 0 0 26 -2,-0.9 2,-0.3 1,-0.2 -1,-0.2 0.509 56.3 63.7-133.7 -30.3 -3.9 -18.3 56.8 28 31 A F - 0 0 18 -3,-0.3 -1,-0.2 1,-0.1 3,-0.1 -0.824 58.6-151.2-105.4 149.0 -5.6 -21.7 56.1 29 32 A E S S+ 0 0 170 -2,-0.3 2,-0.6 1,-0.2 -1,-0.1 0.902 94.2 44.1 -79.8 -45.0 -7.1 -24.1 58.6 30 33 A H S S- 0 0 95 226,-0.5 2,-0.5 2,-0.0 -1,-0.2 -0.888 76.9-168.8-106.5 116.2 -6.3 -27.1 56.4 31 34 A N - 0 0 38 -2,-0.6 2,-0.1 -3,-0.1 -12,-0.1 -0.896 22.1-125.1-108.9 131.5 -2.8 -27.1 54.9 32 35 A L + 0 0 35 -2,-0.5 2,-0.2 -14,-0.1 63,-0.1 -0.469 46.0 163.2 -69.4 138.9 -1.7 -29.5 52.2 33 36 A D - 0 0 85 2,-0.2 63,-1.7 -2,-0.1 64,-0.1 -0.720 49.3 -85.9-143.3-161.7 1.4 -31.3 53.3 34 37 A N S S+ 0 0 40 61,-0.3 75,-2.1 -2,-0.2 2,-0.7 0.100 86.2 99.5-102.5 16.2 3.9 -34.3 52.8 35 38 A N B +a 109 0A 79 73,-0.2 75,-0.2 1,-0.1 -2,-0.2 -0.882 35.0 168.0-111.1 104.0 2.1 -36.9 54.9 36 39 A L + 0 0 4 73,-2.7 2,-0.6 -2,-0.7 56,-0.3 0.506 51.8 95.1 -91.0 -4.7 0.1 -39.3 52.8 37 40 A V - 0 0 27 72,-0.5 2,-0.2 54,-0.1 54,-0.1 -0.795 51.7-175.2 -96.2 117.9 -0.5 -41.9 55.6 38 41 A Q > - 0 0 84 -2,-0.6 3,-1.8 52,-0.6 52,-0.1 -0.638 44.2 -95.9 -99.8 165.1 -3.8 -41.5 57.5 39 42 A D T 3 S+ 0 0 147 1,-0.3 -1,-0.1 -2,-0.2 51,-0.0 0.877 124.4 37.3 -52.1 -44.1 -4.6 -43.7 60.6 40 43 A N T 3 S+ 0 0 110 2,-0.0 -1,-0.3 49,-0.0 50,-0.2 0.300 85.5 133.6 -91.9 9.9 -6.6 -46.3 58.6 41 44 A T < - 0 0 4 -3,-1.8 2,-0.2 48,-0.1 50,-0.1 -0.421 51.6-131.7 -65.2 132.8 -4.4 -46.2 55.5 42 45 A Q + 0 0 93 -2,-0.1 30,-0.3 2,-0.1 2,-0.1 -0.526 56.7 42.4 -85.2 148.9 -3.5 -49.6 54.2 43 46 A G S S- 0 0 29 -2,-0.2 2,-0.6 28,-0.1 28,-0.0 -0.441 91.0 -40.8 115.5 174.4 -0.0 -50.8 53.2 44 47 A Q - 0 0 81 68,-0.3 68,-2.3 -2,-0.1 2,-0.1 -0.729 56.7-130.2 -87.3 125.8 3.6 -50.7 54.3 45 48 A R E +B 111 0A 109 -2,-0.6 138,-0.4 66,-0.2 2,-0.3 -0.417 34.0 171.1 -67.8 135.9 4.7 -47.3 55.6 46 49 A I E -B 110 0A 7 64,-3.0 64,-3.0 -2,-0.1 2,-0.4 -0.983 28.5-134.3-145.3 158.7 7.8 -45.9 54.1 47 50 A R E -Bc 109 184A 69 136,-2.3 138,-2.9 -2,-0.3 2,-0.5 -0.928 15.5-158.9-112.5 137.2 9.7 -42.7 54.2 48 51 A L E +Bc 108 185A 0 60,-2.6 60,-2.2 -2,-0.4 2,-0.3 -0.978 25.4 158.3-115.1 128.5 11.0 -41.2 50.9 49 52 A E E +Bc 107 186A 28 136,-2.4 138,-2.9 -2,-0.5 2,-0.3 -0.983 4.5 118.7-148.6 157.6 13.8 -38.7 51.3 50 53 A G E -B 106 0A 0 56,-1.7 56,-1.9 -2,-0.3 2,-0.3 -0.966 45.4 -97.8 177.1-164.3 16.7 -37.1 49.4 51 54 A Q - 0 0 30 -2,-0.3 138,-2.4 54,-0.2 2,-0.5 -0.931 23.4-127.7-134.7 164.3 18.2 -33.8 48.1 52 55 A V E -e 189 0B 0 52,-0.4 8,-2.7 8,-0.4 2,-0.3 -0.969 27.1-157.5-116.0 130.2 18.1 -32.1 44.7 53 56 A F E -eF 190 59B 30 136,-2.6 138,-2.4 -2,-0.5 139,-0.4 -0.877 2.9-145.8-112.4 140.9 21.5 -31.0 43.3 54 57 A D > - 0 0 17 4,-2.9 3,-2.1 -2,-0.3 177,-0.2 -0.238 45.7 -78.9 -90.9-173.3 22.3 -28.3 40.7 55 58 A G T 3 S+ 0 0 27 175,-2.5 139,-0.1 1,-0.3 176,-0.1 0.553 129.2 56.1 -67.1 -10.2 25.1 -28.4 38.1 56 59 A L T 3 S- 0 0 120 2,-0.2 -1,-0.3 174,-0.1 137,-0.0 0.350 120.9-105.3 -95.8 3.4 27.8 -27.4 40.7 57 60 A G S < S+ 0 0 48 -3,-2.1 -2,-0.2 1,-0.3 136,-0.0 0.686 79.9 133.8 81.8 14.1 26.8 -30.4 42.9 58 61 A L - 0 0 98 -4,-0.1 -4,-2.9 1,-0.0 -1,-0.3 -0.806 59.2-108.6-102.4 147.1 25.1 -28.1 45.4 59 62 A P B -F 53 0B 37 0, 0.0 2,-0.7 0, 0.0 -6,-0.3 -0.350 24.5-122.6 -71.9 142.0 21.6 -28.7 46.9 60 63 A L - 0 0 0 -8,-2.7 3,-0.4 44,-0.2 -8,-0.4 -0.783 24.7-171.8 -79.5 118.1 18.7 -26.6 45.9 61 64 A R S S+ 0 0 141 -2,-0.7 43,-0.2 1,-0.2 -1,-0.1 0.316 80.3 49.0 -96.5 11.9 17.5 -25.1 49.1 62 65 A D S S+ 0 0 9 73,-0.1 73,-0.2 42,-0.1 -48,-0.2 0.201 79.2 128.0-130.3 17.9 14.3 -23.6 47.6 63 66 A V - 0 0 0 -3,-0.4 36,-2.4 71,-0.1 2,-0.4 -0.429 42.9-153.5 -82.0 145.0 12.9 -26.5 45.6 64 67 A L E -GH 98 133C 0 69,-2.8 69,-2.4 34,-0.2 2,-0.3 -0.958 13.8-166.5-115.7 137.9 9.3 -27.7 46.0 65 68 A I E -GH 97 132C 0 32,-2.4 32,-2.6 -2,-0.4 2,-0.3 -0.959 9.0-173.8-127.3 144.9 8.4 -31.4 45.3 66 69 A E E -GH 96 131C 0 65,-2.1 65,-2.4 -2,-0.3 2,-0.3 -0.980 6.7-160.4-133.0 150.4 5.1 -33.2 44.8 67 70 A I E -GH 95 130C 0 28,-1.6 28,-1.4 -2,-0.3 2,-0.4 -0.945 4.0-167.3-129.0 149.4 4.5 -37.0 44.4 68 71 A W E +GH 94 129C 0 61,-2.2 61,-2.9 -2,-0.3 2,-0.3 -0.997 23.7 154.4-134.9 131.7 1.5 -38.8 42.9 69 72 A Q - 0 0 0 24,-1.9 59,-0.1 -2,-0.4 2,-0.1 -0.971 38.4-103.4-155.4 166.3 1.1 -42.6 43.5 70 73 A A - 0 0 1 57,-0.4 6,-0.2 -2,-0.3 23,-0.1 -0.355 42.1-100.3 -85.7 171.7 -1.3 -45.5 43.7 71 74 A D > - 0 0 1 4,-2.8 43,-2.6 42,-0.1 3,-2.0 -0.101 52.2 -77.6 -80.0-170.5 -2.5 -47.2 46.8 72 75 A T T 3 S+ 0 0 42 -30,-0.3 43,-0.2 1,-0.3 -1,-0.1 0.760 132.8 48.7 -63.9 -24.7 -1.2 -50.5 48.2 73 76 A N T 3 S- 0 0 85 41,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.318 121.1-102.8 -97.7 10.0 -3.2 -52.5 45.6 74 77 A G S < S+ 0 0 0 -3,-2.0 2,-0.4 1,-0.3 -2,-0.1 0.766 78.4 131.3 75.3 29.0 -2.1 -50.4 42.6 75 78 A V - 0 0 3 41,-0.1 -4,-2.8 11,-0.1 -1,-0.3 -0.929 52.0-133.0-114.9 134.1 -5.3 -48.3 42.2 76 79 A Y - 0 0 3 -2,-0.4 2,-2.1 -6,-0.2 5,-0.2 -0.688 15.2-128.0 -86.0 138.8 -5.2 -44.5 41.9 77 80 A P S S+ 0 0 19 0, 0.0 174,-0.3 0, 0.0 2,-0.3 -0.512 76.8 104.7 -84.7 69.7 -7.6 -42.5 44.1 78 81 A S S > S- 0 0 16 -2,-2.1 3,-1.7 172,-0.1 -2,-0.1 -0.987 78.9-125.6-146.9 146.6 -8.9 -40.6 41.0 79 82 A Q T 3 S+ 0 0 171 -2,-0.3 169,-0.1 1,-0.3 -1,-0.0 0.675 109.0 66.7 -66.2 -17.6 -12.1 -40.8 38.9 80 83 A A T 3 S+ 0 0 22 169,-0.2 2,-0.5 289,-0.2 -1,-0.3 0.505 72.9 105.3 -80.0 -9.3 -9.9 -41.3 35.9 81 84 A D < - 0 0 23 -3,-1.7 3,-0.3 -5,-0.2 4,-0.1 -0.645 51.7-170.4 -75.1 126.9 -8.7 -44.7 37.1 82 85 A T + 0 0 94 -2,-0.5 -1,-0.1 1,-0.2 -3,-0.0 0.207 51.2 108.5-104.1 15.8 -10.5 -47.4 35.0 83 86 A Q S S- 0 0 46 2,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.720 75.8-133.1 -71.4 -15.6 -9.6 -50.6 36.9 84 87 A G + 0 0 84 -3,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.825 65.7 125.0 71.1 23.4 -13.1 -51.1 38.3 85 88 A K - 0 0 119 -4,-0.1 2,-0.5 0, 0.0 -1,-0.3 -0.845 68.8-107.0-115.3 155.7 -11.5 -51.8 41.6 86 88AA Q - 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