==== 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 31-AUG-08 3ECK . COMPND 2 MOLECULE: PROTEIN (HOMOPROTOCATECHUATE 2,3-DIOXYGENASE); . SOURCE 2 ORGANISM_SCIENTIFIC: BREVIBACTERIUM FUSCUM; . AUTHOR E.G.KOVALEVA,J.D.LIPSCOMB . 1436 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44178.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 936 65.2 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 . 341 23.7 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 . 20 1.4 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 . 0 0.0 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 . 88 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 124 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 176 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 1.9 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 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 . 15 5 2 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 . 6 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 0 186 0, 0.0 161,-0.1 0, 0.0 162,-0.1 0.000 360.0 360.0 360.0 138.8 18.3 69.8 -10.9 2 5 A I - 0 0 7 160,-0.3 92,-0.0 1,-0.0 0, 0.0 -0.802 360.0-127.1 -90.5 117.9 21.8 68.5 -11.7 3 6 A P - 0 0 81 0, 0.0 -1,-0.0 0, 0.0 166,-0.0 -0.278 15.5-115.2 -69.2 151.6 21.9 67.7 -15.4 4 7 A K - 0 0 144 1,-0.1 162,-0.0 2,-0.0 166,-0.0 -0.781 37.4-124.5 -83.7 115.2 23.1 64.4 -16.8 5 8 A P - 0 0 10 0, 0.0 4,-0.1 0, 0.0 85,-0.1 -0.102 2.5-137.5 -53.8 152.3 26.3 64.9 -18.7 6 9 A V S S+ 0 0 132 2,-0.1 3,-0.1 84,-0.1 84,-0.1 0.837 86.9 87.6 -72.3 -38.5 26.7 63.8 -22.3 7 10 A A S S- 0 0 21 82,-0.2 2,-0.1 83,-0.1 79,-0.0 -0.332 94.5-102.3 -61.0 140.7 30.2 62.6 -21.3 8 11 A P - 0 0 81 0, 0.0 82,-0.2 0, 0.0 -1,-0.1 -0.372 35.8-110.5 -70.1 143.9 30.2 59.0 -20.0 9 12 A A - 0 0 32 160,-0.2 78,-0.1 -4,-0.1 77,-0.1 -0.418 37.1-101.9 -64.7 145.7 30.5 58.5 -16.2 10 13 A P - 0 0 3 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 -0.395 37.7-109.1 -60.1 146.8 33.7 57.0 -14.9 11 14 A D - 0 0 47 69,-0.1 68,-2.6 -3,-0.1 2,-0.4 -0.761 40.0-157.1 -81.9 102.9 33.4 53.3 -14.0 12 15 A I E -A 78 0A 2 -2,-1.0 66,-0.3 158,-0.3 3,-0.1 -0.704 16.3-173.7 -87.4 128.7 33.6 53.5 -10.2 13 16 A L E - 0 0 7 64,-3.2 2,-0.3 -2,-0.4 65,-0.2 0.937 56.2 -53.0 -81.8 -50.5 34.6 50.3 -8.4 14 17 A R E -A 77 0A 11 63,-1.0 63,-2.2 178,-0.1 -1,-0.3 -0.966 63.1 -67.0-177.0 159.7 34.1 51.2 -4.7 15 18 A C E +A 76 0A 0 136,-0.3 61,-0.2 -2,-0.3 135,-0.1 -0.482 51.5 175.0 -58.1 142.9 34.9 53.7 -2.0 16 19 A A E - 0 0 0 59,-2.9 2,-0.3 1,-0.4 60,-0.2 0.661 47.2 -14.9-127.7 -47.3 38.6 53.3 -1.4 17 20 A Y E -A 75 0A 0 58,-1.4 58,-3.3 34,-0.0 2,-0.4 -0.995 44.9-141.0-156.8 161.5 39.9 55.8 1.2 18 21 A A E -Ab 74 61A 0 42,-1.4 44,-2.8 -2,-0.3 2,-0.6 -0.986 11.5-147.6-121.5 138.9 39.2 59.0 3.1 19 22 A E E -Ab 73 62A 4 54,-2.8 53,-2.9 -2,-0.4 54,-1.5 -0.940 22.6-171.2-101.4 116.3 41.7 61.8 3.8 20 23 A L E -Ab 71 63A 0 42,-3.0 44,-2.9 -2,-0.6 2,-0.5 -0.912 18.8-136.5-109.2 133.3 40.8 63.4 7.2 21 24 A V E -Ab 70 64A 7 49,-3.5 49,-1.0 -2,-0.4 2,-0.3 -0.765 27.5-174.1 -86.9 128.4 42.3 66.5 8.6 22 25 A V E - b 0 65A 0 42,-2.4 44,-1.9 -2,-0.5 3,-0.2 -0.895 25.9-144.4-123.1 153.3 43.2 66.1 12.3 23 26 A T S S+ 0 0 75 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.746 92.7 32.7 -89.5 -28.8 44.5 68.7 14.8 24 27 A D > - 0 0 67 1,-0.1 4,-2.4 41,-0.0 -1,-0.3 -0.894 65.2-168.6-134.6 101.5 46.7 66.5 16.9 25 28 A L H > S+ 0 0 15 -2,-0.4 4,-2.8 1,-0.2 5,-0.1 0.869 86.5 52.5 -61.6 -41.3 48.4 63.7 15.0 26 29 A A H > S+ 0 0 72 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.915 111.5 46.0 -60.9 -46.7 49.6 61.8 18.0 27 30 A K H > S+ 0 0 135 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.899 113.1 49.8 -65.2 -39.9 46.2 61.7 19.7 28 31 A S H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.899 109.2 53.0 -66.0 -39.0 44.6 60.7 16.4 29 32 A R H X>S+ 0 0 69 -4,-2.8 4,-2.7 2,-0.2 5,-1.1 0.908 105.2 54.5 -60.1 -44.1 47.2 57.9 16.1 30 33 A N H X>S+ 0 0 86 -4,-2.3 5,-2.3 3,-0.2 4,-0.6 0.958 113.2 43.4 -54.2 -48.8 46.3 56.6 19.5 31 34 A F H <>S+ 0 0 10 -4,-2.0 5,-2.4 3,-0.2 4,-0.2 0.950 121.6 35.0 -62.6 -55.7 42.7 56.3 18.5 32 35 A Y H <5S+ 0 0 1 -4,-2.7 6,-2.4 3,-0.2 -1,-0.2 0.809 133.1 25.5 -74.3 -33.0 43.0 54.8 15.0 33 36 A V H X5S+ 0 0 24 -4,-2.7 4,-1.1 -5,-0.3 -3,-0.2 0.898 130.3 32.3 -95.1 -58.0 46.1 52.6 15.8 34 37 A D T < - 0 0 0 -2,-0.3 3,-1.0 -14,-0.2 83,-0.3 -0.288 41.9 -93.1 -82.3 174.4 42.3 47.5 7.1 53 56 A F T 3 S+ 0 0 0 94,-2.4 82,-0.4 1,-0.2 85,-0.2 0.799 121.1 35.6 -60.1 -36.0 43.1 43.8 7.6 54 57 A E T 3 S+ 0 0 3 94,-2.1 -1,-0.2 81,-0.2 2,-0.2 0.369 89.7 119.6-105.8 4.5 42.1 42.6 4.1 55 58 A E < + 0 0 8 -3,-1.0 80,-0.6 93,-0.2 81,-0.1 -0.495 32.9 177.4 -77.7 137.2 43.2 45.6 2.1 56 59 A F + 0 0 0 -2,-0.2 76,-2.6 78,-0.2 -1,-0.1 0.592 59.2 86.7-110.1 -22.2 45.8 45.4 -0.7 57 60 A I S S- 0 0 0 74,-0.2 74,-0.2 1,-0.1 52,-0.1 -0.332 99.4 -93.9 -69.9 166.9 45.8 49.0 -1.9 58 61 A H S S- 0 0 18 50,-0.4 2,-0.3 72,-0.4 -1,-0.1 0.836 90.7 -17.5 -56.1 -40.8 48.0 51.4 -0.1 59 62 A H - 0 0 0 49,-0.1 -8,-0.3 1,-0.1 -1,-0.1 -0.988 31.2-155.8-162.6 157.4 45.6 52.8 2.4 60 63 A N S S+ 0 0 0 -10,-3.3 -42,-1.4 -2,-0.3 2,-0.3 0.385 90.8 33.1-108.9 -11.9 41.9 53.2 3.4 61 64 A L E -bD 18 50A 0 -11,-1.9 -11,-3.2 -44,-0.2 2,-0.5 -0.962 58.4-166.9-153.0 126.5 42.5 56.2 5.6 62 65 A V E -bD 19 49A 0 -44,-2.8 -42,-3.0 -2,-0.3 2,-0.6 -0.981 9.9-159.5-114.3 121.6 45.0 59.2 5.5 63 66 A L E -bD 20 48A 0 -15,-2.9 -15,-2.0 -2,-0.5 2,-0.5 -0.913 13.9-172.1 -99.5 119.9 45.2 61.3 8.7 64 67 A T E -bD 21 47A 17 -44,-2.9 -42,-2.4 -2,-0.6 -17,-0.2 -0.966 22.4-125.4-119.3 123.9 46.7 64.7 7.8 65 68 A K E +b 22 0A 95 -19,-3.0 -42,-0.2 -2,-0.5 -41,-0.0 -0.435 47.4 145.5 -66.1 140.7 47.7 67.3 10.4 66 69 A G - 0 0 17 -44,-1.9 3,-0.1 -2,-0.1 -41,-0.0 -0.970 58.9-102.4-168.4 167.6 46.0 70.7 9.8 67 70 A P S S+ 0 0 128 0, 0.0 2,-0.5 0, 0.0 -44,-0.1 0.799 105.9 39.9 -73.0 -30.6 44.6 73.7 11.6 68 71 A V S S- 0 0 60 -46,-0.1 2,-0.1 -3,-0.0 -47,-0.1 -0.971 84.1-126.0-127.8 119.0 40.9 72.8 11.2 69 72 A A + 0 0 21 -2,-0.5 238,-0.4 -3,-0.1 2,-0.3 -0.417 55.4 125.9 -65.5 130.2 39.5 69.2 11.5 70 73 A A E -A 21 0A 0 -49,-1.0 -49,-3.5 -2,-0.1 2,-0.6 -0.984 65.6 -79.7-172.7 163.2 37.6 68.3 8.3 71 74 A L E -Ae 20 308A 0 236,-3.0 238,-2.4 -2,-0.3 -51,-0.2 -0.722 37.1-178.7 -76.8 122.1 37.1 65.9 5.4 72 75 A K E - 0 0 78 -53,-2.9 2,-0.3 -2,-0.6 -52,-0.2 0.823 65.2 -11.2 -89.2 -38.1 39.8 66.7 2.8 73 76 A A E -A 19 0A 0 -54,-1.5 -54,-2.8 41,-0.0 2,-0.6 -0.924 46.4-150.0-161.4 141.8 38.8 64.1 0.3 74 77 A M E -Af 18 123A 0 48,-2.9 50,-2.3 -2,-0.3 2,-0.4 -0.980 33.1-153.2-107.5 118.0 36.5 61.0 -0.2 75 78 A A E -Af 17 124A 0 -58,-3.3 -59,-2.9 -2,-0.6 -58,-1.4 -0.802 15.5-169.8-106.0 135.0 38.2 58.8 -2.7 76 79 A F E -Af 15 125A 0 48,-2.8 50,-1.6 -2,-0.4 2,-0.4 -0.951 21.1-132.2-115.7 134.2 36.7 56.2 -5.1 77 80 A R E -Af 14 126A 0 -63,-2.2 -64,-3.2 -2,-0.4 -63,-1.0 -0.707 22.2-150.1 -86.2 137.1 38.7 53.8 -7.1 78 81 A V E -A 12 0A 0 48,-2.5 -66,-0.2 -2,-0.4 6,-0.1 -0.687 20.9-113.1-105.0 163.5 37.8 53.6 -10.8 79 82 A R S S+ 0 0 107 -68,-2.6 -67,-0.1 -2,-0.2 -1,-0.1 0.831 89.9 11.4 -68.4 -38.7 38.2 50.5 -13.1 80 83 A T S > S- 0 0 43 -69,-0.2 3,-1.2 1,-0.1 4,-0.5 -0.884 76.2-107.1-136.2 162.5 40.9 51.7 -15.5 81 84 A P T >> S+ 0 0 48 0, 0.0 3,-1.3 0, 0.0 4,-0.7 0.864 118.6 61.4 -59.5 -32.0 43.4 54.5 -15.8 82 85 A E H 3> S+ 0 0 114 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.683 88.7 70.8 -65.6 -19.6 41.2 56.0 -18.6 83 86 A D H <> S+ 0 0 9 -3,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.741 89.8 61.2 -71.4 -20.9 38.3 56.4 -16.1 84 87 A V H <> S+ 0 0 1 -3,-1.3 4,-2.1 -4,-0.5 -1,-0.2 0.922 105.6 46.6 -67.3 -43.6 40.3 59.2 -14.4 85 88 A D H X S+ 0 0 83 -4,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.910 111.4 51.8 -59.2 -44.9 40.1 61.0 -17.8 86 89 A K H X S+ 0 0 80 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.900 108.3 51.5 -59.5 -42.3 36.4 60.2 -17.9 87 90 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.897 109.9 49.6 -60.6 -42.3 36.0 61.6 -14.4 88 91 A E H X S+ 0 0 46 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.944 113.6 44.6 -61.0 -49.1 37.7 64.9 -15.5 89 92 A A H X S+ 0 0 44 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.883 113.3 53.0 -63.4 -38.7 35.6 65.3 -18.6 90 93 A Y H X S+ 0 0 4 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.950 113.5 39.6 -63.0 -53.7 32.4 64.4 -16.6 91 94 A Y H <>S+ 0 0 0 -4,-2.4 5,-2.7 2,-0.2 4,-0.2 0.795 112.8 57.4 -70.9 -27.8 32.9 67.0 -13.8 92 95 A Q H ><5S+ 0 0 108 -4,-2.1 3,-1.6 -5,-0.3 -2,-0.2 0.935 106.0 49.2 -65.4 -44.1 34.2 69.5 -16.4 93 96 A E H 3<5S+ 0 0 93 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.809 107.5 56.2 -62.1 -31.3 30.9 69.2 -18.3 94 97 A L T 3<5S- 0 0 31 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.534 116.6-119.1 -73.4 -8.9 29.1 69.7 -14.9 95 98 A G T < 5 + 0 0 72 -3,-1.6 2,-0.2 1,-0.3 -3,-0.2 0.709 62.9 150.2 75.2 21.3 31.0 73.0 -14.5 96 99 A C < - 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