==== 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 2BUR . 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) . 18816.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 244 55.5 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 . 36 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 4.5 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 0 179 0, 0.0 2,-0.3 0, 0.0 288,-0.2 0.000 360.0 360.0 360.0 147.4 -8.3 -25.3 19.2 2 5 A L - 0 0 57 286,-2.5 2,-0.3 285,-0.1 288,-0.1 -0.749 360.0-119.4-105.2 157.2 -6.5 -23.4 21.9 3 6 A K - 0 0 76 -2,-0.3 424,-0.1 1,-0.1 426,-0.0 -0.687 37.3 -99.7 -93.4 145.9 -2.8 -23.5 23.0 4 7 A E - 0 0 9 -2,-0.3 424,-0.2 1,-0.1 -1,-0.1 -0.301 45.1 -99.8 -58.5 141.5 -1.8 -24.5 26.5 5 8 A T - 0 0 4 422,-2.8 -1,-0.1 1,-0.1 424,-0.1 -0.459 50.6-107.5 -59.8 132.1 -1.1 -21.6 28.8 6 9 A P - 0 0 0 0, 0.0 372,-0.3 0, 0.0 211,-0.1 -0.350 30.1-117.1 -68.4 145.8 2.7 -21.3 28.8 7 10 A S - 0 0 4 370,-0.1 2,-0.3 211,-0.1 370,-0.2 -0.370 28.9-173.3 -76.3 156.7 4.7 -22.3 31.9 8 11 A Q - 0 0 2 368,-1.5 132,-0.1 129,-0.1 368,-0.1 -0.963 38.0 -82.5-143.9 154.6 6.8 -19.9 34.0 9 12 A T - 0 0 1 -2,-0.3 129,-0.2 1,-0.1 126,-0.1 -0.209 28.4-130.4 -54.5 148.9 9.1 -20.6 36.9 10 13 A G - 0 0 2 127,-0.6 3,-0.3 124,-0.5 125,-0.2 0.774 48.0-147.1 -69.3 -25.5 7.6 -21.0 40.3 11 14 A G > - 0 0 4 123,-0.5 3,-1.2 126,-0.2 124,-0.3 0.043 31.0 -61.8 81.3 172.9 10.2 -18.5 41.5 12 15 A P T 3 S+ 0 0 40 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.652 129.8 52.7 -70.2 -15.3 12.0 -18.3 45.0 13 16 A Y T >> + 0 0 20 -3,-0.3 3,-2.5 1,-0.2 4,-0.6 0.118 61.0 129.0-109.7 22.7 8.8 -17.7 47.0 14 17 A V H <> + 0 0 0 -3,-1.2 4,-2.2 1,-0.3 3,-0.3 0.739 65.6 71.3 -49.3 -20.9 6.8 -20.6 45.7 15 18 A H H 3> S+ 0 0 0 -3,-0.3 4,-1.8 1,-0.2 8,-0.3 0.794 82.4 67.5 -69.8 -24.6 6.2 -21.4 49.5 16 19 A I H <4 S+ 0 0 0 -3,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.962 114.6 27.9 -62.6 -42.4 3.9 -18.5 50.1 17 20 A G H < S+ 0 0 1 -4,-0.6 -1,-0.2 -3,-0.3 -2,-0.2 0.828 131.9 32.1 -92.5 -28.4 1.3 -20.0 48.0 18 21 A L H < S+ 0 0 3 -4,-2.2 -3,-0.2 1,-0.2 -2,-0.2 0.754 133.9 17.7-104.2 -19.2 1.9 -23.6 48.1 19 22 A L >X + 0 0 17 -4,-1.8 3,-1.5 -5,-0.3 4,-0.8 -0.461 64.9 170.7-142.4 61.6 3.2 -24.2 51.7 20 23 A P G >4>S+ 0 0 7 0, 0.0 5,-2.3 0, 0.0 3,-0.8 0.789 74.9 63.7 -46.9 -32.8 2.3 -21.1 53.7 21 24 A K G >45S+ 0 0 106 1,-0.3 3,-2.2 3,-0.2 5,-0.1 0.911 97.5 55.6 -59.1 -43.3 3.4 -22.8 57.0 22 25 A Q G <45S+ 0 0 53 -3,-1.5 -1,-0.3 1,-0.3 -6,-0.1 0.771 111.6 44.4 -64.7 -20.3 7.0 -23.0 55.7 23 26 A A G <<5S- 0 0 5 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.276 121.5-111.4-102.0 10.1 6.9 -19.3 55.2 24 27 A N T < 5S+ 0 0 128 -3,-2.2 2,-0.5 -5,-0.2 -3,-0.2 0.881 70.3 138.5 62.4 44.9 5.1 -18.7 58.6 25 28 A I < - 0 0 0 -5,-2.3 2,-1.0 -6,-0.1 3,-0.3 -0.963 33.8-168.3-122.3 113.2 1.8 -17.7 57.2 26 29 A E + 0 0 148 -2,-0.5 3,-0.1 1,-0.2 -5,-0.0 -0.703 43.0 123.0-102.9 85.4 -1.3 -19.1 59.0 27 30 A V + 0 0 23 -2,-1.0 2,-0.4 1,-0.1 -1,-0.2 0.641 59.4 66.3-113.6 -19.7 -4.2 -18.2 56.8 28 31 A F - 0 0 15 -3,-0.3 3,-0.1 1,-0.2 -1,-0.1 -0.846 58.0-156.9-108.2 140.6 -5.6 -21.7 56.1 29 32 A E S S+ 0 0 195 -2,-0.4 2,-0.6 1,-0.2 -1,-0.2 0.950 92.7 44.9 -77.1 -48.5 -7.3 -24.0 58.6 30 33 A H S S- 0 0 76 226,-0.5 2,-0.5 2,-0.0 -1,-0.2 -0.851 78.3-168.4 -98.2 122.0 -6.5 -27.1 56.5 31 34 A N - 0 0 28 -2,-0.6 2,-0.2 -3,-0.1 -12,-0.1 -0.930 19.7-127.8-113.6 127.9 -3.0 -27.1 55.1 32 35 A L + 0 0 23 -2,-0.5 2,-0.2 -14,-0.1 63,-0.1 -0.486 43.6 162.0 -71.4 141.2 -1.7 -29.5 52.3 33 36 A D - 0 0 81 2,-0.2 63,-1.7 -2,-0.2 64,-0.1 -0.704 50.2 -84.5-147.5-164.9 1.4 -31.3 53.4 34 37 A N S S+ 0 0 39 61,-0.3 75,-2.4 -2,-0.2 2,-0.7 0.091 87.9 98.8 -98.9 18.1 3.9 -34.3 52.9 35 38 A N B +a 109 0A 77 73,-0.2 75,-0.2 1,-0.1 -2,-0.2 -0.888 34.7 164.9-111.9 102.4 2.0 -36.8 55.0 36 39 A L + 0 0 5 73,-2.7 2,-0.6 -2,-0.7 56,-0.3 0.501 50.5 96.4 -92.7 -4.0 -0.0 -39.2 52.9 37 40 A V - 0 0 27 72,-0.6 2,-0.2 54,-0.1 54,-0.1 -0.777 51.4-175.0 -93.0 117.0 -0.5 -41.8 55.7 38 41 A Q > - 0 0 84 -2,-0.6 3,-1.4 52,-0.5 52,-0.1 -0.599 43.5 -98.1 -97.9 169.9 -3.8 -41.5 57.6 39 42 A D T 3 S+ 0 0 139 1,-0.3 -1,-0.1 -2,-0.2 51,-0.0 0.908 123.4 37.7 -58.8 -41.0 -4.4 -43.7 60.6 40 43 A N T 3 S+ 0 0 102 2,-0.1 -1,-0.3 49,-0.0 50,-0.2 0.308 85.5 130.7 -93.2 9.9 -6.5 -46.3 58.7 41 44 A T < - 0 0 5 -3,-1.4 2,-0.2 48,-0.1 50,-0.1 -0.430 54.7-128.9 -65.3 137.0 -4.5 -46.1 55.5 42 45 A Q + 0 0 93 -2,-0.1 30,-0.4 2,-0.1 2,-0.2 -0.564 58.1 43.5 -87.6 148.4 -3.5 -49.6 54.2 43 46 A G S S- 0 0 30 -2,-0.2 2,-0.6 28,-0.1 30,-0.0 -0.486 90.4 -43.0 118.7 173.2 -0.0 -50.7 53.3 44 47 A Q - 0 0 81 68,-0.3 68,-2.1 -2,-0.2 2,-0.2 -0.733 56.4-128.9 -87.4 127.9 3.5 -50.6 54.4 45 48 A R E +B 111 0A 106 -2,-0.6 138,-0.5 66,-0.2 2,-0.3 -0.476 33.8 173.7 -70.2 134.8 4.6 -47.2 55.6 46 49 A I E -B 110 0A 7 64,-2.7 64,-2.6 -2,-0.2 2,-0.5 -0.952 27.5-135.3-139.8 159.9 7.8 -45.9 54.1 47 50 A R E -Bc 109 184A 73 136,-2.0 138,-3.2 -2,-0.3 2,-0.5 -0.969 15.8-160.6-114.8 131.1 9.7 -42.6 54.2 48 51 A L E +Bc 108 185A 0 60,-2.5 60,-2.2 -2,-0.5 2,-0.3 -0.964 25.0 159.2-112.4 125.6 11.0 -41.2 50.9 49 52 A E E +Bc 107 186A 28 136,-2.3 138,-2.7 -2,-0.5 2,-0.3 -0.980 3.7 117.9-146.6 159.7 13.8 -38.6 51.3 50 53 A G E -B 106 0A 0 56,-1.8 56,-2.2 -2,-0.3 2,-0.3 -0.979 45.2 -94.9 173.8-166.8 16.6 -36.9 49.5 51 54 A Q - 0 0 31 -2,-0.3 138,-2.6 54,-0.2 2,-0.5 -0.921 22.7-131.9-134.3 160.5 18.1 -33.7 48.1 52 55 A V E -e 189 0B 0 52,-0.4 8,-2.5 8,-0.4 2,-0.3 -0.976 26.3-157.4-114.0 128.7 18.0 -32.0 44.7 53 56 A F E -eF 190 59B 31 136,-2.8 138,-2.3 -2,-0.5 139,-0.4 -0.856 4.5-143.5-111.8 144.8 21.4 -30.8 43.3 54 57 A D > - 0 0 18 4,-2.6 3,-1.7 -2,-0.3 138,-0.2 -0.176 46.4 -79.0 -89.8-171.7 22.2 -28.1 40.8 55 58 A G T 3 S+ 0 0 28 175,-2.0 139,-0.2 1,-0.3 176,-0.1 0.589 129.5 54.8 -69.2 -11.0 24.9 -28.3 38.1 56 59 A L T 3 S- 0 0 114 2,-0.2 -1,-0.3 174,-0.1 137,-0.0 0.459 120.4-105.0 -96.3 -2.7 27.6 -27.4 40.7 57 60 A G S < S+ 0 0 47 -3,-1.7 -2,-0.1 1,-0.3 136,-0.0 0.592 79.1 134.1 89.2 12.4 26.7 -30.2 43.0 58 61 A L - 0 0 101 1,-0.1 -4,-2.6 0, 0.0 -1,-0.3 -0.762 58.7-111.3 -98.9 141.7 25.0 -27.9 45.4 59 62 A P B -F 53 0B 37 0, 0.0 2,-0.6 0, 0.0 -6,-0.3 -0.350 24.3-121.7 -70.4 148.9 21.6 -28.6 46.9 60 63 A L - 0 0 0 -8,-2.5 3,-0.4 44,-0.2 -8,-0.4 -0.825 25.3-174.2 -85.7 123.1 18.6 -26.4 46.0 61 64 A R S S+ 0 0 123 -2,-0.6 43,-0.2 1,-0.2 -1,-0.1 0.298 79.7 51.0-102.0 10.4 17.3 -25.0 49.2 62 65 A D S S+ 0 0 9 73,-0.1 73,-0.3 42,-0.1 -48,-0.2 0.128 79.8 127.6-127.8 20.1 14.2 -23.4 47.6 63 66 A V - 0 0 0 -3,-0.4 36,-1.9 71,-0.1 2,-0.4 -0.468 43.6-152.8 -83.4 146.8 12.8 -26.4 45.7 64 67 A L E -GH 98 133C 0 69,-2.8 69,-2.4 34,-0.2 2,-0.4 -0.977 14.6-167.9-118.6 133.4 9.1 -27.5 46.0 65 68 A I E -GH 97 132C 0 32,-2.9 32,-2.7 -2,-0.4 2,-0.3 -0.949 8.8-175.3-125.5 139.3 8.3 -31.2 45.3 66 69 A E E -GH 96 131C 0 65,-2.2 65,-2.4 -2,-0.4 2,-0.3 -0.974 6.8-161.0-128.2 152.7 5.0 -33.1 44.8 67 70 A I E -GH 95 130C 0 28,-1.7 28,-1.6 -2,-0.3 2,-0.4 -0.930 4.2-167.8-129.0 153.2 4.4 -36.8 44.4 68 71 A W E +GH 94 129C 0 61,-2.2 61,-2.5 -2,-0.3 2,-0.3 -0.995 23.4 152.4-138.4 129.7 1.4 -38.7 43.0 69 72 A Q - 0 0 0 24,-1.8 59,-0.1 -2,-0.4 2,-0.1 -0.985 39.4-100.1-155.7 170.8 1.0 -42.4 43.4 70 73 A A - 0 0 0 57,-0.5 6,-0.2 -2,-0.3 23,-0.1 -0.333 42.3-101.9 -89.2 170.1 -1.4 -45.4 43.7 71 74 A D > - 0 0 1 4,-2.7 43,-2.4 42,-0.1 3,-2.0 -0.094 52.4 -75.8 -79.2-168.8 -2.5 -47.1 46.9 72 75 A T T 3 S+ 0 0 40 -30,-0.4 43,-0.2 1,-0.3 -29,-0.1 0.739 133.0 47.4 -64.6 -22.1 -1.2 -50.4 48.2 73 76 A N T 3 S- 0 0 87 41,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.260 121.8-102.8-100.0 8.8 -3.2 -52.4 45.6 74 77 A G S < S+ 0 0 0 -3,-2.0 2,-0.4 1,-0.3 -2,-0.1 0.789 77.9 133.3 76.6 29.3 -2.1 -50.2 42.7 75 78 A V - 0 0 2 41,-0.1 -4,-2.7 11,-0.1 -1,-0.3 -0.915 51.8-130.8-113.0 136.6 -5.4 -48.3 42.3 76 79 A Y - 0 0 4 -2,-0.4 2,-2.7 -6,-0.2 5,-0.2 -0.701 14.3-129.2 -86.8 135.6 -5.3 -44.5 41.9 77 80 A P S S+ 0 0 20 0, 0.0 174,-0.4 0, 0.0 2,-0.3 -0.428 76.5 107.9 -79.4 69.3 -7.7 -42.4 44.2 78 81 A S S > S- 0 0 14 -2,-2.7 3,-2.2 172,-0.1 -2,-0.1 -0.994 78.0-128.5-147.0 141.6 -8.9 -40.6 41.0 79 82 A Q T 3 S+ 0 0 172 -2,-0.3 -1,-0.1 1,-0.3 169,-0.1 0.680 109.0 65.0 -61.1 -19.1 -12.1 -40.7 39.0 80 83 A A T 3 S+ 0 0 19 169,-0.2 2,-0.5 289,-0.2 -1,-0.3 0.479 72.9 107.1 -84.5 -2.2 -10.0 -41.3 36.0 81 84 A D < - 0 0 24 -3,-2.2 3,-0.3 -5,-0.2 -6,-0.0 -0.668 49.3-173.0 -77.4 124.8 -8.8 -44.7 37.2 82 85 A T + 0 0 87 -2,-0.5 -1,-0.1 1,-0.2 -3,-0.1 0.181 50.8 107.8-104.1 15.1 -10.6 -47.3 35.1 83 86 A Q S S- 0 0 41 2,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.688 75.8-134.8 -71.3 -15.3 -9.6 -50.5 36.8 84 87 A G + 0 0 82 -3,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.695 65.3 124.2 73.3 9.5 -13.0 -51.1 38.3 85 88 A K - 0 0 128 1,-0.0 2,-0.4 -4,-0.0 -1,-0.3 -0.747 69.3-107.3-102.5 154.5 -11.3 -51.9 41.6 86 88AA Q - 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