==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-AUG-12 4GHF . COMPND 2 MOLECULE: HOMOPROTOCATECHUATE 2,3-DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BREVIBACTERIUM FUSCUM; . AUTHOR E.G.KOVALEVA,J.D.LIPSCOMB . 1424 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44882.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 936 65.7 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 . 339 23.8 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 . 2 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 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 12.4 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 3 1 4 0 1 7 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 . 13 7 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 0 172 0, 0.0 161,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -44.3 -0.0 67.0 -9.7 2 5 A I - 0 0 8 160,-0.2 92,-0.0 1,-0.0 0, 0.0 -0.911 360.0-123.9 -85.3 118.8 3.7 66.0 -9.8 3 6 A P - 0 0 87 0, 0.0 166,-0.0 0, 0.0 -1,-0.0 -0.277 10.4-115.3 -71.6 154.1 3.9 65.4 -13.5 4 7 A K - 0 0 145 1,-0.0 162,-0.0 2,-0.0 166,-0.0 -0.785 36.7-127.2 -84.1 115.9 5.0 62.2 -15.2 5 8 A P - 0 0 10 0, 0.0 4,-0.1 0, 0.0 85,-0.1 -0.234 4.2-136.4 -60.3 149.9 8.3 62.9 -17.1 6 9 A V S S+ 0 0 137 2,-0.1 3,-0.1 84,-0.1 84,-0.1 0.883 85.9 91.8 -65.1 -40.6 8.6 61.9 -20.8 7 10 A A S S- 0 0 18 82,-0.2 2,-0.0 1,-0.1 79,-0.0 -0.249 92.8-101.9 -56.6 137.2 12.1 60.6 -19.8 8 11 A P - 0 0 78 0, 0.0 82,-0.2 0, 0.0 -1,-0.1 -0.326 36.4-112.9 -62.1 139.8 12.2 56.9 -18.8 9 12 A A - 0 0 32 160,-0.2 78,-0.1 -4,-0.1 2,-0.1 -0.398 34.4-104.4 -68.6 147.7 12.3 56.1 -15.1 10 13 A P - 0 0 4 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 -0.475 33.7-111.3 -64.5 147.3 15.5 54.5 -13.7 11 14 A D - 0 0 47 -2,-0.1 68,-2.4 69,-0.1 2,-0.4 -0.764 38.5-161.0 -84.3 104.1 15.2 50.7 -13.0 12 15 A I E -A 78 0A 1 -2,-1.0 66,-0.3 158,-0.3 3,-0.1 -0.726 13.3-170.9 -92.0 128.7 15.4 50.7 -9.1 13 16 A L E - 0 0 8 64,-2.7 2,-0.3 -2,-0.4 65,-0.2 0.878 55.4 -53.3 -83.1 -43.3 16.3 47.4 -7.5 14 17 A R E -A 77 0A 9 63,-1.1 63,-1.9 178,-0.1 -1,-0.3 -0.951 63.5 -64.6 176.5 161.4 15.8 48.1 -3.9 15 18 A C E +A 76 0A 1 136,-0.3 61,-0.3 -2,-0.3 135,-0.1 -0.550 50.2 174.8 -66.6 142.6 16.6 50.3 -0.9 16 19 A A E - 0 0 0 59,-3.2 2,-0.3 1,-0.4 60,-0.2 0.734 47.2 -16.6-126.1 -48.2 20.3 49.9 -0.3 17 20 A Y E -A 75 0A 0 58,-1.5 58,-2.8 34,-0.0 -1,-0.4 -0.989 45.4-139.3-157.2 161.5 21.6 52.2 2.5 18 21 A A E -Ab 74 61A 0 42,-1.4 44,-2.7 -2,-0.3 2,-0.6 -0.979 11.3-145.8-121.2 143.1 20.9 55.3 4.6 19 22 A E E -Ab 73 62A 6 54,-2.8 53,-2.8 -2,-0.4 54,-1.4 -0.959 22.5-171.7-102.2 117.3 23.3 58.0 5.6 20 23 A L E -Ab 71 63A 0 42,-3.1 44,-3.0 -2,-0.6 2,-0.4 -0.940 17.9-140.2-111.6 129.3 22.4 59.3 9.1 21 24 A V E -Ab 70 64A 9 49,-3.0 49,-1.3 -2,-0.5 2,-0.3 -0.783 27.5-175.7 -83.3 130.4 24.0 62.4 10.7 22 25 A V E - b 0 65A 0 42,-2.4 44,-2.2 -2,-0.4 3,-0.2 -0.878 26.5-141.8-128.6 156.9 24.6 61.8 14.4 23 26 A T S S+ 0 0 60 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.694 91.4 33.8 -97.6 -23.6 26.0 64.1 17.0 24 27 A D > - 0 0 61 1,-0.1 4,-2.4 41,-0.0 -1,-0.3 -0.886 64.4-167.5-135.4 101.7 28.2 61.8 19.1 25 28 A L H > S+ 0 0 17 -2,-0.4 4,-2.6 1,-0.2 5,-0.1 0.872 86.8 53.6 -62.3 -39.8 29.8 59.1 17.0 26 29 A A H > S+ 0 0 71 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.874 109.9 45.4 -60.1 -48.8 31.0 57.1 20.0 27 30 A K H > S+ 0 0 137 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.919 114.5 49.4 -62.9 -39.4 27.5 56.8 21.6 28 31 A S H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.908 108.9 52.8 -67.2 -41.5 26.0 56.0 18.2 29 32 A R H X>S+ 0 0 72 -4,-2.6 4,-2.6 -5,-0.2 5,-1.1 0.915 106.2 53.5 -57.1 -43.1 28.6 53.3 17.7 30 33 A N H <>S+ 0 0 85 -4,-2.0 5,-2.4 3,-0.2 -1,-0.2 0.922 113.5 43.7 -60.8 -40.1 27.8 51.7 21.0 31 34 A F H <>S+ 0 0 13 -4,-1.7 5,-2.6 3,-0.2 -2,-0.2 0.967 121.6 34.9 -67.6 -55.9 24.1 51.5 20.0 32 35 A Y H <5S+ 0 0 0 -4,-2.8 6,-2.6 3,-0.2 -2,-0.2 0.846 132.9 26.6 -76.5 -33.0 24.4 50.2 16.4 33 36 A V T X5S+ 0 0 25 -4,-2.6 4,-1.2 -5,-0.3 -3,-0.2 0.910 130.6 31.6 -92.0 -58.1 27.5 48.0 17.0 34 37 A D T 4 - 0 0 0 -2,-0.3 3,-1.0 -14,-0.2 83,-0.3 -0.271 41.4 -96.4 -80.1 170.9 23.8 43.7 8.0 53 56 A F T 3 S+ 0 0 0 94,-2.4 82,-0.5 1,-0.2 85,-0.2 0.803 119.5 37.5 -60.4 -32.7 24.7 39.9 8.2 54 57 A E T 3 S+ 0 0 2 94,-2.2 -1,-0.2 81,-0.2 2,-0.2 0.405 89.7 115.4-105.6 3.6 23.6 39.0 4.6 55 58 A E < + 0 0 7 -3,-1.0 80,-0.5 93,-0.2 81,-0.1 -0.458 35.3 179.0 -80.3 143.9 24.8 42.0 2.7 56 59 A F + 0 0 1 -2,-0.2 76,-2.6 78,-0.2 -1,-0.1 0.535 59.7 87.6-112.9 -16.1 27.5 42.0 0.1 57 60 A I S S- 0 0 0 74,-0.2 74,-0.2 1,-0.1 52,-0.1 -0.372 98.7 -93.6 -76.6 170.7 27.5 45.7 -0.9 58 61 A H S S- 0 0 18 50,-0.4 2,-0.3 72,-0.3 -1,-0.1 0.823 90.5 -17.3 -62.6 -35.9 29.7 48.0 1.1 59 62 A H - 0 0 0 49,-0.1 -8,-0.3 1,-0.1 3,-0.1 -0.984 32.1-156.0-164.1 157.2 27.2 49.1 3.7 60 63 A N S S+ 0 0 0 -10,-2.9 -42,-1.4 1,-0.3 2,-0.3 0.374 90.1 32.1-110.7 -14.1 23.6 49.5 4.6 61 64 A L E -bD 18 50A 0 -11,-1.8 -11,-3.0 -44,-0.2 2,-0.5 -0.961 59.6-166.3-151.0 129.3 24.1 52.4 7.1 62 65 A V E -bD 19 49A 0 -44,-2.7 -42,-3.1 -2,-0.3 2,-0.7 -0.979 9.2-158.4-118.2 122.1 26.5 55.3 7.2 63 66 A L E -bD 20 48A 0 -15,-2.8 -15,-2.1 -2,-0.5 2,-0.5 -0.925 13.2-170.2-100.3 119.2 26.8 57.2 10.4 64 67 A T E -bD 21 47A 17 -44,-3.0 -42,-2.4 -2,-0.7 -17,-0.2 -0.943 21.5-126.7-115.5 123.7 28.2 60.6 9.8 65 68 A K E +b 22 0A 102 -19,-3.0 -42,-0.2 -2,-0.5 -44,-0.0 -0.434 48.6 142.4 -66.6 135.5 29.3 62.9 12.6 66 69 A G - 0 0 19 -44,-2.2 3,-0.1 -2,-0.1 -41,-0.0 -0.960 60.2-103.6-164.3 172.9 27.6 66.4 12.3 67 70 A P S S+ 0 0 127 0, 0.0 2,-0.5 0, 0.0 -44,-0.1 0.755 104.7 46.0 -79.9 -26.4 26.1 69.2 14.4 68 71 A V S S- 0 0 55 -46,-0.1 -47,-0.1 -3,-0.0 2,-0.1 -0.947 82.8-130.1-126.1 113.0 22.4 68.4 13.6 69 72 A A + 0 0 21 -2,-0.5 238,-0.4 -3,-0.1 2,-0.3 -0.333 55.0 122.3 -59.6 127.7 21.0 64.8 13.7 70 73 A A E -A 21 0A 0 -49,-1.3 -49,-3.0 236,-0.1 2,-0.6 -0.981 67.0 -79.3-173.9 163.1 19.1 64.1 10.5 71 74 A L E +Ae 20 308A 0 236,-2.5 238,-2.6 -2,-0.3 -51,-0.2 -0.789 37.2 179.2 -77.3 123.6 18.8 62.0 7.4 72 75 A K E - 0 0 76 -53,-2.8 2,-0.3 -2,-0.6 -52,-0.2 0.771 65.6 -3.2 -94.2 -28.9 21.4 63.0 4.9 73 76 A A E -A 19 0A 0 -54,-1.4 -54,-2.8 2,-0.0 2,-0.5 -0.929 47.0-155.9-164.9 133.0 20.6 60.5 2.1 74 77 A M E -Af 18 123A 0 48,-2.6 50,-2.4 -2,-0.3 2,-0.4 -0.984 32.2-155.4-108.8 115.9 18.2 57.5 1.4 75 78 A A E -Af 17 124A 0 -58,-2.8 -59,-3.2 -2,-0.5 -58,-1.5 -0.824 16.5-171.7-107.9 132.6 19.9 55.4 -1.2 76 79 A F E -Af 15 125A 0 48,-3.1 50,-1.5 -2,-0.4 2,-0.3 -0.964 22.3-131.2-115.4 133.8 18.4 53.0 -3.7 77 80 A R E -Af 14 126A 0 -63,-1.9 -64,-2.7 -2,-0.4 -63,-1.1 -0.673 21.6-149.8 -85.3 136.8 20.5 50.8 -5.9 78 81 A V E -A 12 0A 0 48,-2.8 -66,-0.2 -2,-0.3 6,-0.1 -0.638 21.8-112.4-106.4 162.4 19.6 50.8 -9.7 79 82 A R S S+ 0 0 100 -68,-2.4 -67,-0.1 -2,-0.2 3,-0.1 0.827 88.7 9.9 -72.9 -34.4 20.0 47.9 -12.1 80 83 A T S >> S- 0 0 32 -69,-0.2 3,-0.9 1,-0.1 4,-0.6 -0.917 74.5-106.5-137.4 165.3 22.8 49.2 -14.4 81 84 A P H >> S+ 0 0 65 0, 0.0 3,-1.6 0, 0.0 4,-0.8 0.921 120.2 60.0 -54.3 -42.1 25.3 52.1 -14.6 82 85 A E H 3> S+ 0 0 106 1,-0.3 4,-1.6 2,-0.2 5,-0.1 0.698 92.1 67.5 -61.5 -21.6 23.1 53.5 -17.4 83 86 A D H <> S+ 0 0 3 -3,-0.9 4,-2.5 2,-0.2 -1,-0.3 0.753 91.7 60.1 -70.1 -22.9 20.1 53.7 -14.9 84 87 A V H S+ 0 0 0 -4,-2.5 5,-2.7 2,-0.2 4,-0.3 0.765 111.4 57.1 -72.4 -25.6 14.8 64.3 -11.9 92 95 A Q H ><5S+ 0 0 102 -4,-1.8 3,-1.4 -5,-0.3 -1,-0.2 0.933 107.9 48.0 -64.2 -47.4 16.0 67.2 -14.2 93 96 A E H 3<5S+ 0 0 93 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.815 106.9 55.9 -65.7 -30.9 12.7 66.9 -16.1 94 97 A L T 3<5S- 0 0 29 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.626 117.0-119.6 -69.3 -14.0 10.9 67.0 -12.8 95 98 A G T < 5 + 0 0 68 -3,-1.4 2,-0.2 -4,-0.3 -3,-0.2 0.679 62.8 149.4 81.7 19.9 12.8 70.3 -12.1 96 99 A C < - 0 0 17 -5,-2.7 2,-0.3 1,-0.1 -1,-0.3 -0.562 53.9-107.7 -85.5 149.8 14.5 68.9 -9.1 97 100 A R - 0 0 92 19,-0.4 19,-2.1 -2,-0.2 2,-0.3 -0.625 45.0-176.3 -72.9 133.7 17.9 69.9 -7.9 98 101 A T E -G 115 0A 24 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.910 20.8-164.1-132.4 156.0 20.5 67.2 -8.5 99 102 A E E -G 114 0A 61 15,-2.8 15,-3.1 -2,-0.3 2,-0.5 -0.950 10.3-164.0-142.2 123.9 24.2 66.5 -7.9 100 103 A R E -G 113 0A 70 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.926 5.9-176.5-112.0 127.8 26.2 63.7 -9.7 101 104 A R E > -G 112 0A 124 11,-2.8 11,-2.0 -2,-0.5 3,-1.8 -0.958 18.5-157.7-128.6 120.9 29.6 62.4 -8.5 102 105 A K T 3 S+ 0 0 148 -2,-0.4 9,-0.4 1,-0.3 -1,-0.1 0.750 98.0 43.4 -65.1 -25.7 31.5 59.8 -10.5 103 106 A D T 3 S- 0 0 131 1,-0.3 -1,-0.3 7,-0.2 6,-0.2 0.232 115.1-113.0-106.1 11.9 33.5 58.8 -7.3 104 107 A G < - 0 0 12 -3,-1.8 -1,-0.3 8,-0.2 7,-0.1 0.035 11.4-105.0 84.3 164.8 30.5 58.7 -4.9 105 108 A F S S+ 0 0 41 5,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.635 102.2 31.1 -97.0 -31.2 29.5 60.8 -1.9 106 109 A V S > S- 0 0 8 4,-0.2 3,-1.4 3,-0.1 -1,-0.2 -0.916 100.5 -82.0-126.6 159.1 30.4 58.1 0.7 107 110 A K T 3 S+ 0 0 94 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.198 111.0 26.6 -58.2 143.6 33.1 55.4 0.8 108 111 A G T 3 S+ 0 0 15 1,-0.2 22,-2.4 21,-0.1 -50,-0.4 0.461 99.7 98.1 83.9 -2.8 32.3 52.1 -1.0 109 112 A I B < -I 129 0B 7 -3,-1.4 20,-0.3 20,-0.2 -1,-0.2 -0.979 52.9-167.8-118.4 133.0 29.9 53.7 -3.5 110 113 A G + 0 0 15 18,-2.9 -5,-0.2 -2,-0.4 -7,-0.2 0.248 61.2 7.4 -89.3-138.4 31.0 54.7 -7.0 111 114 A D S S+ 0 0 24 -9,-0.4 16,-0.8 -8,-0.2 2,-0.3 -0.148 79.8 171.4 -49.5 121.7 29.1 56.9 -9.5 112 115 A A E -GH 101 126A 0 -11,-2.0 -11,-2.8 14,-0.2 2,-0.5 -0.989 29.3-151.4-142.8 144.7 26.1 58.3 -7.7 113 116 A L E -GH 100 125A 0 12,-2.5 12,-2.6 -2,-0.3 2,-0.4 -0.971 11.9-166.9-115.0 125.8 23.3 60.9 -8.2 114 117 A R E -GH 99 124A 11 -15,-3.1 -15,-2.8 -2,-0.5 2,-0.3 -0.935 12.0-179.2-108.0 143.2 21.8 62.7 -5.2 115 118 A V E -GH 98 123A 0 8,-2.6 8,-1.8 -2,-0.4 2,-0.8 -0.965 34.9-131.8-135.7 151.3 18.5 64.6 -5.7 116 119 A E E - 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