==== 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 14-JUN-05 2BUM . COMPND 2 MOLECULE: PROTOCATECHUATE 3,4-DIOXYGENASE ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER SP.; . AUTHOR M.W.VETTING,M.P.VALLEY,D.A.D'ARGENIO,L.N.ORNSTON,J.D.LIPSCOM . 440 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18895.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 250 56.8 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 . 37 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 4.3 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 5 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 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 0.000 360.0 360.0 360.0 141.5 -8.4 -25.4 19.4 2 5 A L - 0 0 64 286,-2.9 2,-0.3 285,-0.1 288,-0.1 -0.721 360.0-119.4-105.6 155.2 -6.5 -23.5 22.0 3 6 A K - 0 0 81 -2,-0.3 424,-0.1 1,-0.1 426,-0.0 -0.702 40.2-101.3 -90.3 143.3 -2.8 -23.4 23.0 4 7 A E - 0 0 10 -2,-0.3 424,-0.2 1,-0.1 -1,-0.1 -0.308 45.4 -96.8 -58.0 139.1 -1.9 -24.5 26.5 5 8 A T - 0 0 4 422,-2.7 -1,-0.1 1,-0.1 424,-0.1 -0.429 51.2-107.2 -55.3 133.0 -1.1 -21.6 28.9 6 9 A P - 0 0 0 0, 0.0 211,-0.1 0, 0.0 -1,-0.1 -0.336 31.0-119.7 -69.2 142.3 2.7 -21.2 28.9 7 10 A S - 0 0 3 370,-0.1 2,-0.3 211,-0.1 370,-0.2 -0.370 27.6-173.1 -75.9 160.4 4.7 -22.2 31.9 8 11 A Q - 0 0 2 368,-1.5 132,-0.2 -2,-0.1 368,-0.2 -0.951 37.8 -80.8-146.2 158.3 6.8 -19.9 34.0 9 12 A T - 0 0 0 -2,-0.3 129,-0.2 1,-0.1 126,-0.2 -0.186 30.4-126.5 -58.5 152.1 9.2 -20.6 36.9 10 13 A G - 0 0 2 127,-0.6 3,-0.4 124,-0.5 125,-0.2 0.781 52.3-150.2 -70.0 -25.6 7.7 -21.0 40.3 11 14 A G > - 0 0 1 123,-0.4 3,-1.5 126,-0.3 124,-0.4 -0.058 33.9 -46.8 82.7 176.1 10.2 -18.4 41.3 12 15 A P T 3 S+ 0 0 48 0, 0.0 -1,-0.2 0, 0.0 3,-0.2 0.641 133.7 42.6 -61.5 -17.3 11.9 -17.8 44.7 13 16 A Y T >> S+ 0 0 30 -3,-0.4 4,-3.1 1,-0.1 3,-1.4 0.174 75.3 110.2-117.3 21.5 8.9 -18.1 46.9 14 17 A V H <> S+ 0 0 0 -3,-1.5 4,-1.4 1,-0.3 -1,-0.1 0.864 80.0 52.0 -63.7 -35.6 7.1 -21.1 45.4 15 18 A H H 34 S+ 0 0 12 47,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.539 116.6 42.5 -80.3 -0.6 8.0 -23.2 48.4 16 19 A I H X4 S+ 0 0 8 -3,-1.4 3,-0.8 2,-0.1 7,-0.3 0.776 112.6 47.1-104.0 -51.7 6.4 -20.5 50.6 17 20 A G H 3< S+ 0 0 7 -4,-3.1 -3,-0.2 1,-0.2 -2,-0.2 0.748 117.6 44.1 -65.2 -25.7 3.3 -19.5 48.8 18 21 A L T 3< S+ 0 0 3 -4,-1.4 -1,-0.2 -5,-0.3 14,-0.1 0.482 124.5 34.7 -96.5 -5.7 2.3 -23.1 48.2 19 22 A L S X> S+ 0 0 6 -3,-0.8 4,-0.9 -5,-0.1 3,-0.7 -0.437 71.0 158.3-138.3 57.0 3.1 -24.2 51.9 20 23 A P G >4> + 0 0 7 0, 0.0 5,-2.2 0, 0.0 3,-1.3 0.882 67.7 64.0 -51.6 -43.8 2.1 -21.0 53.8 21 24 A K G >45S+ 0 0 85 1,-0.3 3,-1.6 3,-0.2 5,-0.1 0.883 103.3 48.6 -46.3 -49.9 1.7 -22.8 57.1 22 25 A Q G <45S+ 0 0 108 -3,-0.7 -1,-0.3 1,-0.3 4,-0.1 0.715 108.0 53.5 -66.4 -24.2 5.4 -23.7 57.1 23 26 A A G <<5S- 0 0 14 -3,-1.3 -1,-0.3 -4,-0.9 -2,-0.2 0.211 122.1-108.3 -94.8 16.9 6.3 -20.1 56.3 24 27 A N T < 5S+ 0 0 136 -3,-1.6 2,-0.7 1,-0.2 -3,-0.2 0.862 77.0 135.4 58.9 40.7 4.3 -19.0 59.3 25 28 A I < - 0 0 4 -5,-2.2 2,-1.3 -6,-0.1 3,-0.4 -0.942 37.4-166.2-115.9 102.6 1.5 -17.5 57.2 26 29 A E + 0 0 120 -2,-0.7 -5,-0.0 1,-0.2 3,-0.0 -0.482 42.5 124.6 -96.6 69.3 -1.6 -18.8 58.9 27 30 A V + 0 0 18 -2,-1.3 2,-0.3 298,-0.0 -1,-0.2 0.686 61.5 59.1 -93.3 -25.4 -4.3 -18.0 56.4 28 31 A F - 0 0 19 -3,-0.4 3,-0.1 1,-0.2 229,-0.1 -0.852 58.1-155.5-110.4 147.1 -5.8 -21.5 56.0 29 32 A E S S+ 0 0 158 -2,-0.3 2,-0.6 1,-0.2 -1,-0.2 0.922 91.3 46.1 -81.6 -45.9 -7.4 -23.8 58.5 30 33 A H S S- 0 0 89 226,-0.5 2,-0.4 2,-0.0 -1,-0.2 -0.850 79.7-167.2-101.7 121.2 -6.7 -27.0 56.5 31 34 A N - 0 0 44 -2,-0.6 2,-0.3 -3,-0.1 -12,-0.1 -0.885 17.5-129.4-113.9 140.3 -3.2 -27.2 55.1 32 35 A L + 0 0 34 -2,-0.4 2,-0.2 -14,-0.1 -11,-0.1 -0.617 40.9 156.0 -84.5 141.7 -1.7 -29.5 52.5 33 36 A D - 0 0 73 -2,-0.3 63,-1.6 2,-0.2 64,-0.1 -0.716 52.0 -78.4-148.0-162.9 1.5 -31.2 53.5 34 37 A N S S+ 0 0 32 61,-0.3 75,-2.1 -2,-0.2 2,-0.7 0.098 87.7 100.0 -98.2 21.9 3.9 -34.2 53.0 35 38 A N B +a 109 0A 76 73,-0.2 75,-0.2 1,-0.1 -2,-0.2 -0.870 34.6 167.4-114.2 104.1 2.1 -36.8 55.0 36 39 A L + 0 0 6 73,-2.6 2,-0.6 -2,-0.7 56,-0.3 0.526 52.2 94.9 -89.7 -6.5 0.0 -39.2 52.9 37 40 A V - 0 0 29 72,-0.6 2,-0.2 54,-0.1 54,-0.1 -0.782 49.4-178.6 -92.5 120.8 -0.6 -41.7 55.7 38 41 A Q > - 0 0 92 52,-0.6 3,-1.2 -2,-0.6 52,-0.1 -0.588 46.7 -92.8-101.6 173.7 -3.8 -41.3 57.6 39 42 A D T 3 S+ 0 0 135 1,-0.2 51,-0.0 -2,-0.2 -2,-0.0 0.878 123.1 36.2 -61.4 -40.5 -4.6 -43.7 60.5 40 43 A N T 3 S+ 0 0 106 2,-0.1 -1,-0.2 49,-0.0 50,-0.2 0.308 85.3 133.4 -95.1 9.6 -6.5 -46.4 58.6 41 44 A T < - 0 0 4 -3,-1.2 2,-0.2 49,-0.1 50,-0.1 -0.343 53.0-128.7 -60.9 135.8 -4.4 -46.1 55.5 42 45 A Q + 0 0 93 2,-0.1 30,-0.3 -2,-0.0 2,-0.2 -0.586 57.4 42.3 -90.8 152.3 -3.4 -49.5 54.2 43 46 A G S S- 0 0 30 -2,-0.2 2,-0.6 28,-0.1 30,-0.0 -0.453 90.6 -43.3 113.8 173.8 0.0 -50.7 53.3 44 47 A Q - 0 0 85 68,-0.3 68,-1.9 -2,-0.2 2,-0.1 -0.712 57.3-126.6 -85.8 124.9 3.6 -50.6 54.5 45 48 A R E +B 111 0A 105 -2,-0.6 138,-0.4 66,-0.2 2,-0.3 -0.390 34.6 173.0 -67.2 137.4 4.7 -47.3 55.7 46 49 A I E -B 110 0A 7 64,-2.5 64,-2.5 -2,-0.1 2,-0.5 -0.964 27.2-135.1-141.8 160.4 7.8 -45.9 54.1 47 50 A R E -Bc 109 184A 67 136,-2.0 138,-2.9 -2,-0.3 2,-0.5 -0.982 16.3-161.0-119.0 129.3 9.7 -42.6 54.2 48 51 A L E +Bc 108 185A 0 60,-2.7 60,-2.2 -2,-0.5 2,-0.3 -0.937 25.9 152.1-110.4 126.6 11.0 -41.2 51.0 49 52 A E E +Bc 107 186A 28 136,-2.5 138,-3.2 -2,-0.5 2,-0.3 -0.980 3.0 117.7-151.3 166.2 13.7 -38.6 51.2 50 53 A G E -B 106 0A 0 56,-1.9 56,-2.3 -2,-0.3 2,-0.3 -0.978 46.3 -87.3 168.5-160.3 16.7 -37.0 49.5 51 54 A Q - 0 0 30 -2,-0.3 138,-3.1 54,-0.2 2,-0.5 -0.949 20.9-132.5-138.5 160.5 18.1 -33.8 48.1 52 55 A V E -e 189 0B 0 52,-0.5 8,-2.7 8,-0.4 2,-0.4 -0.961 26.2-161.0-115.5 129.1 18.0 -32.0 44.8 53 56 A F E -eF 190 59B 29 136,-2.7 138,-2.4 -2,-0.5 139,-0.4 -0.912 7.0-142.4-116.3 140.9 21.3 -30.7 43.4 54 57 A D > - 0 0 21 4,-2.6 3,-1.9 -2,-0.4 177,-0.2 -0.154 47.3 -78.8 -85.5-174.2 22.1 -28.1 40.8 55 58 A G T 3 S+ 0 0 27 175,-2.2 139,-0.1 1,-0.3 176,-0.1 0.536 130.3 55.1 -66.7 -11.4 24.9 -28.3 38.3 56 59 A L T 3 S- 0 0 122 2,-0.2 -1,-0.3 174,-0.2 137,-0.0 0.384 119.6-107.8 -99.0 -0.2 27.6 -27.3 40.7 57 60 A G S < S+ 0 0 42 -3,-1.9 -2,-0.1 1,-0.3 136,-0.0 0.594 75.2 135.8 87.3 9.9 26.5 -30.1 43.0 58 61 A L - 0 0 97 1,-0.0 -4,-2.6 0, 0.0 -1,-0.3 -0.723 58.0-112.0 -95.2 143.2 25.0 -27.9 45.6 59 62 A P B -F 53 0B 22 0, 0.0 2,-0.5 0, 0.0 -6,-0.3 -0.408 26.8-122.9 -71.4 144.6 21.5 -28.8 47.1 60 63 A L - 0 0 1 -8,-2.7 -8,-0.4 44,-0.2 3,-0.3 -0.791 24.4-176.1 -87.6 127.5 18.6 -26.5 46.3 61 64 A R S S+ 0 0 106 -2,-0.5 38,-0.1 1,-0.2 -1,-0.1 0.307 79.3 55.8-104.7 7.4 17.0 -25.1 49.4 62 65 A D S S+ 0 0 19 73,-0.1 73,-0.4 36,-0.1 -47,-0.3 0.019 77.8 124.2-123.3 25.6 14.2 -23.4 47.6 63 66 A V - 0 0 0 -3,-0.3 36,-0.8 71,-0.1 2,-0.4 -0.549 45.9-153.8 -88.3 151.0 12.7 -26.3 45.7 64 67 A L E -GH 98 133C 0 69,-2.5 69,-2.4 34,-0.2 2,-0.4 -0.998 16.4-170.9-121.1 125.9 9.0 -27.4 46.0 65 68 A I E -GH 97 132C 0 32,-3.1 32,-2.5 -2,-0.4 2,-0.3 -0.938 8.8-176.8-119.8 142.5 8.3 -31.1 45.3 66 69 A E E -GH 96 131C 0 65,-2.1 65,-2.1 -2,-0.4 2,-0.3 -0.963 8.2-158.8-130.3 155.0 5.0 -33.0 44.9 67 70 A I E -GH 95 130C 0 28,-1.6 28,-1.5 -2,-0.3 2,-0.4 -0.933 3.4-163.2-131.1 156.5 4.4 -36.7 44.4 68 71 A W E +GH 94 129C 0 61,-2.2 61,-2.8 -2,-0.3 2,-0.3 -0.995 24.3 155.3-140.6 128.4 1.4 -38.7 43.0 69 72 A Q - 0 0 0 24,-2.3 2,-0.1 -2,-0.4 59,-0.1 -0.956 38.0-102.0-152.7 171.3 1.0 -42.4 43.6 70 73 A A - 0 0 0 57,-0.5 6,-0.2 -2,-0.3 41,-0.1 -0.436 41.5-104.8 -92.0 163.2 -1.3 -45.4 43.8 71 74 A D > - 0 0 1 4,-2.9 43,-2.3 -2,-0.1 3,-2.1 -0.038 53.1 -74.0 -77.1-172.7 -2.6 -47.0 47.0 72 75 A T T 3 S+ 0 0 39 -30,-0.3 43,-0.2 1,-0.3 -29,-0.1 0.775 133.3 47.5 -59.6 -23.7 -1.3 -50.3 48.3 73 76 A N T 3 S- 0 0 88 2,-0.2 -1,-0.3 41,-0.2 3,-0.1 0.215 121.9-100.6-102.2 15.7 -3.2 -52.3 45.7 74 77 A G S < S+ 0 0 0 -3,-2.1 2,-0.4 1,-0.3 -2,-0.1 0.846 79.6 133.5 72.4 32.1 -2.0 -50.2 42.8 75 78 A V - 0 0 3 41,-0.1 -4,-2.9 11,-0.1 -1,-0.3 -0.962 51.7-130.5-116.0 136.6 -5.3 -48.2 42.4 76 79 A Y - 0 0 3 -2,-0.4 2,-2.7 -6,-0.2 5,-0.2 -0.677 14.2-129.6 -89.3 134.4 -5.3 -44.4 42.1 77 80 A P S S+ 0 0 19 0, 0.0 174,-0.4 0, 0.0 2,-0.3 -0.425 76.9 111.0 -78.7 65.7 -7.6 -42.4 44.3 78 81 A S S > S- 0 0 14 -2,-2.7 3,-2.3 172,-0.1 -2,-0.1 -0.998 75.7-132.5-143.9 137.6 -8.8 -40.7 41.1 79 82 A Q T 3 S+ 0 0 172 -2,-0.3 169,-0.1 1,-0.3 -1,-0.1 0.653 108.0 64.6 -62.9 -14.7 -12.1 -40.7 39.1 80 83 A A T 3 S+ 0 0 20 169,-0.2 2,-0.6 289,-0.2 -1,-0.3 0.495 72.9 109.7 -87.2 -3.9 -10.0 -41.3 36.0 81 84 A D < - 0 0 26 -3,-2.3 3,-0.3 -5,-0.2 -6,-0.0 -0.636 47.1-174.6 -71.7 118.9 -8.8 -44.7 37.3 82 85 A T + 0 0 91 -2,-0.6 -1,-0.1 1,-0.2 -3,-0.1 0.133 48.8 110.8 -99.1 18.1 -10.6 -47.2 35.1 83 86 A Q S S- 0 0 40 2,-0.1 -1,-0.2 -7,-0.1 3,-0.1 0.626 74.5-134.9 -72.8 -11.9 -9.5 -50.4 36.9 84 87 A G + 0 0 84 -3,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.698 67.2 119.1 68.8 11.0 -12.9 -51.3 38.3 85 88 A K S S- 0 0 127 -4,-0.0 2,-0.3 0, 0.0 -1,-0.3 -0.819 70.8-109.4-108.4 152.1 -11.3 -51.9 41.7 86 88AA Q - 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