==== 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 4GHC . COMPND 2 MOLECULE: HOMOPROTOCATECHUATE 2,3-DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BREVIBACTERIUM FUSCUM; . AUTHOR E.G.KOVALEVA,J.D.LIPSCOMB . 1440 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44954.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 931 64.7 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 . 340 23.6 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 . 82 5.7 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 . 177 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 8 0 0 2 2 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 . 16 4 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 3 A N 0 0 177 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.3 -0.6 70.6 -6.8 2 4 A E - 0 0 150 1,-0.1 161,-0.1 164,-0.0 162,-0.1 -0.087 360.0-129.0 -54.9 137.6 -0.1 67.4 -8.8 3 5 A I - 0 0 8 160,-0.3 -1,-0.1 1,-0.0 92,-0.0 -0.796 33.9-124.3 -85.0 120.9 3.5 66.4 -9.7 4 6 A P - 0 0 77 0, 0.0 -1,-0.0 0, 0.0 166,-0.0 -0.292 14.8-113.9 -70.4 155.1 3.5 65.8 -13.4 5 7 A K - 0 0 148 1,-0.0 162,-0.0 2,-0.0 161,-0.0 -0.805 37.6-126.3 -85.2 118.7 4.6 62.6 -15.0 6 8 A P - 0 0 9 0, 0.0 4,-0.1 0, 0.0 85,-0.1 -0.208 3.8-136.5 -61.3 152.1 7.8 63.2 -17.0 7 9 A V S S+ 0 0 136 2,-0.1 3,-0.1 84,-0.1 84,-0.1 0.888 87.1 88.9 -69.4 -37.8 8.2 62.3 -20.7 8 10 A A S S- 0 0 21 82,-0.2 2,-0.1 1,-0.1 79,-0.0 -0.274 93.1-104.0 -60.7 139.8 11.7 61.0 -19.7 9 11 A P - 0 0 77 0, 0.0 82,-0.2 0, 0.0 -1,-0.1 -0.347 34.3-110.1 -68.4 146.1 11.6 57.3 -18.6 10 12 A A - 0 0 32 160,-0.2 78,-0.1 -4,-0.1 2,-0.1 -0.421 35.4-105.1 -68.8 147.1 11.9 56.5 -15.0 11 13 A P - 0 0 3 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 -0.489 36.5-108.7 -65.0 145.7 15.2 54.8 -13.8 12 14 A D - 0 0 49 -2,-0.1 68,-2.2 69,-0.1 2,-0.4 -0.709 39.3-158.4 -80.1 103.8 14.8 51.1 -13.1 13 15 A I E -A 79 0A 2 -2,-1.0 66,-0.3 158,-0.3 3,-0.1 -0.726 14.3-172.4 -90.4 129.1 15.0 51.0 -9.3 14 16 A L E - 0 0 7 64,-3.1 2,-0.3 -2,-0.4 65,-0.2 0.900 55.0 -52.0 -81.3 -49.0 16.0 47.7 -7.7 15 17 A R E -A 78 0A 9 63,-1.1 63,-1.9 178,-0.1 -1,-0.3 -0.973 63.0 -66.4-177.3 160.5 15.5 48.3 -4.0 16 18 A C E +A 77 0A 1 -2,-0.3 61,-0.2 136,-0.3 135,-0.1 -0.479 50.2 174.7 -60.8 143.7 16.3 50.5 -1.0 17 19 A A E - 0 0 0 59,-2.7 2,-0.3 1,-0.4 60,-0.2 0.668 47.0 -16.8-129.5 -46.9 20.0 50.1 -0.4 18 20 A Y E -A 76 0A 0 58,-1.5 58,-3.0 34,-0.0 -1,-0.4 -0.987 44.4-140.2-159.4 160.0 21.3 52.4 2.4 19 21 A A E -Ab 75 62A 0 42,-1.4 44,-2.5 -2,-0.3 2,-0.6 -0.968 11.1-148.1-118.5 144.8 20.6 55.5 4.5 20 22 A E E -Ab 74 63A 4 54,-2.9 53,-2.7 -2,-0.4 54,-1.6 -0.969 22.4-173.3-107.4 115.3 23.1 58.1 5.5 21 23 A L E -Ab 72 64A 0 42,-2.8 44,-2.8 -2,-0.6 2,-0.4 -0.941 19.9-136.5-109.2 132.6 22.2 59.5 9.0 22 24 A V E -Ab 71 65A 8 49,-3.3 49,-1.2 -2,-0.5 2,-0.3 -0.763 26.9-173.3 -86.2 132.6 23.8 62.4 10.7 23 25 A V E - b 0 66A 0 42,-2.3 44,-1.9 -2,-0.4 3,-0.2 -0.903 25.0-142.8-126.4 152.0 24.5 61.7 14.4 24 26 A T S S+ 0 0 65 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.759 92.3 33.1 -90.8 -28.0 25.9 64.1 17.0 25 27 A D > - 0 0 64 1,-0.1 4,-2.4 41,-0.0 -1,-0.3 -0.906 66.1-167.4-132.5 102.9 28.1 61.7 19.1 26 28 A L H > S+ 0 0 18 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.879 86.3 51.4 -65.3 -37.9 29.7 59.1 16.9 27 29 A A H > S+ 0 0 73 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.904 111.1 47.3 -65.7 -39.7 30.9 56.9 19.8 28 30 A K H > S+ 0 0 133 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.906 113.4 48.7 -68.4 -40.1 27.5 56.8 21.4 29 31 A S H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.910 109.2 53.5 -65.6 -39.1 25.9 56.0 18.1 30 32 A R H X>S+ 0 0 71 -4,-2.7 4,-2.8 1,-0.2 5,-1.2 0.923 105.2 54.1 -59.2 -43.8 28.5 53.2 17.5 31 33 A N H <>S+ 0 0 84 -4,-2.1 5,-1.7 3,-0.2 -1,-0.2 0.854 113.1 44.1 -60.9 -33.9 27.6 51.7 20.9 32 34 A F H <>S+ 0 0 12 -4,-1.4 5,-2.5 3,-0.2 4,-0.3 0.963 121.4 34.9 -72.3 -55.9 23.9 51.5 19.8 33 35 A Y H <5S+ 0 0 0 -4,-2.8 6,-2.4 3,-0.2 -2,-0.2 0.838 132.8 25.1 -74.6 -34.1 24.3 50.2 16.2 34 36 A V T X5S+ 0 0 25 -4,-2.8 4,-1.0 -5,-0.3 -3,-0.2 0.892 130.4 33.0 -95.1 -55.9 27.3 47.9 16.7 35 37 A D T 4 - 0 0 0 -2,-0.3 3,-1.2 -14,-0.2 83,-0.3 -0.291 41.2 -95.1 -79.5 170.1 23.5 43.7 7.7 54 56 A F T 3 S+ 0 0 0 94,-2.5 82,-0.5 1,-0.2 85,-0.2 0.799 120.7 36.3 -57.6 -36.8 24.4 40.0 7.9 55 57 A E T 3 S+ 0 0 2 94,-2.0 -1,-0.2 81,-0.2 2,-0.1 0.371 89.0 118.6-103.9 5.5 23.4 39.1 4.3 56 58 A E < + 0 0 7 -3,-1.2 80,-0.6 1,-0.1 81,-0.1 -0.449 33.5 178.3 -78.9 142.7 24.5 42.2 2.5 57 59 A F + 0 0 1 78,-0.2 76,-2.5 -2,-0.1 -1,-0.1 0.575 60.0 87.5-112.2 -19.5 27.2 42.1 -0.3 58 60 A I S S- 0 0 0 74,-0.2 74,-0.2 1,-0.1 52,-0.1 -0.307 99.6 -94.5 -74.1 167.1 27.1 45.8 -1.2 59 61 A H S S- 0 0 20 50,-0.4 2,-0.3 72,-0.2 -1,-0.1 0.856 90.6 -17.8 -58.8 -39.9 29.4 48.0 0.8 60 62 A H - 0 0 1 49,-0.1 -8,-0.3 1,-0.1 -1,-0.1 -0.990 31.9-155.0-159.4 161.6 26.9 49.2 3.4 61 63 A N S S+ 0 0 0 -10,-3.1 -42,-1.4 1,-0.3 2,-0.3 0.417 89.9 31.3-111.6 -12.0 23.3 49.6 4.5 62 64 A L E -bD 19 51A 0 -11,-1.9 -11,-3.2 -44,-0.2 2,-0.5 -0.970 58.9-166.0-152.2 129.2 23.8 52.5 6.9 63 65 A V E -bD 20 50A 0 -44,-2.5 -42,-2.8 -2,-0.3 2,-0.6 -0.989 9.2-159.1-115.4 121.9 26.3 55.3 7.1 64 66 A L E -bD 21 49A 0 -15,-2.9 -15,-2.1 -2,-0.5 2,-0.5 -0.915 13.8-171.6 -98.4 122.1 26.6 57.2 10.3 65 67 A T E -bD 22 48A 16 -44,-2.8 -42,-2.3 -2,-0.6 -17,-0.2 -0.962 22.4-124.3-120.1 125.1 28.1 60.7 9.7 66 68 A K E +b 23 0A 108 -19,-2.9 -42,-0.2 -2,-0.5 -44,-0.0 -0.413 48.7 142.8 -65.9 135.4 29.1 63.0 12.5 67 69 A G - 0 0 18 -44,-1.9 3,-0.1 -2,-0.1 -41,-0.0 -0.978 59.4 -99.9-165.5 174.1 27.5 66.4 12.3 68 70 A P S S+ 0 0 128 0, 0.0 2,-0.4 0, 0.0 -44,-0.1 0.798 104.6 37.3 -77.7 -28.3 26.0 69.3 14.3 69 71 A V S S- 0 0 58 -46,-0.1 -47,-0.1 -3,-0.0 2,-0.1 -0.982 84.2-123.2-129.7 121.0 22.3 68.5 13.8 70 72 A A + 0 0 19 -2,-0.4 238,-0.4 -3,-0.1 2,-0.3 -0.398 57.1 125.9 -64.0 131.9 20.9 64.9 13.8 71 73 A A E -A 22 0A 0 -49,-1.2 -49,-3.3 236,-0.1 2,-0.6 -0.971 65.3 -80.9-173.9 162.0 19.0 64.3 10.5 72 74 A L E -Ae 21 309A 0 236,-2.8 238,-2.7 -2,-0.3 -51,-0.2 -0.755 36.1-179.9 -77.3 124.4 18.7 62.2 7.4 73 75 A K E - 0 0 76 -53,-2.7 2,-0.3 -2,-0.6 -52,-0.2 0.807 66.4 -5.7 -92.5 -36.8 21.3 63.2 4.8 74 76 A A E -A 20 0A 0 -54,-1.6 -54,-2.9 2,-0.0 2,-0.5 -0.954 46.2-155.6-159.7 138.8 20.4 60.6 2.1 75 77 A M E -Af 19 124A 0 48,-2.7 50,-2.2 -2,-0.3 2,-0.4 -0.991 32.8-154.9-110.6 117.0 18.0 57.7 1.4 76 78 A A E -Af 18 125A 0 -58,-3.0 -59,-2.7 -2,-0.5 -58,-1.5 -0.846 16.4-170.6-107.7 134.3 19.6 55.7 -1.3 77 79 A F E -Af 16 126A 0 48,-2.9 50,-1.4 -2,-0.4 2,-0.3 -0.951 21.5-131.8-113.7 133.2 18.1 53.3 -3.9 78 80 A R E -Af 15 127A 0 -63,-1.9 -64,-3.1 -2,-0.4 -63,-1.1 -0.696 21.3-150.6 -82.0 139.2 20.2 51.0 -6.1 79 81 A V E -A 13 0A 0 48,-2.4 -66,-0.2 -2,-0.3 6,-0.1 -0.657 21.8-112.6-108.3 165.9 19.3 51.1 -9.8 80 82 A R S S+ 0 0 101 -68,-2.2 -67,-0.1 -2,-0.2 -1,-0.1 0.840 88.5 9.6 -74.2 -34.6 19.7 48.2 -12.3 81 83 A T S >> S- 0 0 29 -69,-0.2 3,-1.2 1,-0.1 4,-0.5 -0.922 74.4-106.5-140.5 161.7 22.4 49.6 -14.6 82 84 A P H >> S+ 0 0 65 0, 0.0 3,-1.6 0, 0.0 4,-0.9 0.889 118.9 62.0 -54.2 -38.9 24.9 52.5 -14.9 83 85 A E H 3> S+ 0 0 114 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.747 92.1 66.5 -59.2 -27.3 22.6 54.0 -17.6 84 86 A D H <> S+ 0 0 4 -3,-1.2 4,-2.4 2,-0.2 -1,-0.3 0.736 91.8 59.7 -70.1 -22.1 19.8 54.2 -15.0 85 87 A V H S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 4,-0.4 0.835 111.6 55.3 -73.0 -32.3 14.5 64.7 -11.9 93 95 A Q H ><5S+ 0 0 109 -4,-2.2 3,-1.2 -5,-0.3 -1,-0.2 0.913 107.6 51.1 -62.4 -40.5 15.7 67.5 -14.1 94 96 A E H 3<5S+ 0 0 92 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.854 105.9 55.1 -65.3 -34.7 12.4 67.3 -16.0 95 97 A L T 3<5S- 0 0 31 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.572 118.4-114.9 -70.6 -11.1 10.6 67.4 -12.7 96 98 A G T < 5 + 0 0 71 -3,-1.2 2,-0.2 -4,-0.4 -3,-0.2 0.687 65.7 147.6 85.2 20.3 12.4 70.7 -11.9 97 99 A C < - 0 0 22 -5,-2.5 -1,-0.3 1,-0.1 2,-0.3 -0.602 55.0-105.0 -95.2 149.5 14.3 69.3 -9.0 98 100 A R - 0 0 95 19,-0.4 19,-2.2 -2,-0.2 2,-0.3 -0.553 44.6-174.2 -67.7 133.3 17.8 70.1 -7.8 99 101 A T E -G 116 0A 34 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.892 17.8-170.2-128.7 156.2 20.3 67.4 -8.7 100 102 A E E -G 115 0A 53 15,-2.2 15,-3.0 -2,-0.3 2,-0.4 -0.926 8.5-164.4-148.3 126.0 23.9 66.7 -8.0 101 103 A R E -G 114 0A 68 -2,-0.3 2,-0.5 13,-0.2 13,-0.2 -0.940 5.9-176.3-115.6 129.2 26.0 64.0 -9.7 102 104 A R E > -G 113 0A 113 11,-2.6 11,-2.2 -2,-0.4 3,-1.7 -0.966 16.8-156.5-129.4 117.7 29.3 62.7 -8.5 103 105 A K T 3 S+ 0 0 149 -2,-0.5 9,-0.4 1,-0.3 -1,-0.1 0.716 98.3 40.3 -65.1 -23.5 31.2 60.1 -10.6 104 106 A D T 3 S- 0 0 128 1,-0.3 -1,-0.3 7,-0.2 6,-0.2 0.159 116.8-111.7-113.4 17.0 33.1 58.9 -7.6 105 107 A G < - 0 0 13 -3,-1.7 -1,-0.3 8,-0.2 7,-0.1 0.092 10.1-100.8 88.2 165.7 30.2 59.0 -5.1 106 108 A F S S+ 0 0 35 5,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.591 103.0 28.5 -98.2 -22.2 29.1 60.9 -2.0 107 109 A V S > S- 0 0 10 4,-0.2 3,-1.3 3,-0.1 -1,-0.1 -0.929 98.8 -80.8-135.3 160.7 30.2 58.3 0.5 108 110 A K T 3 S+ 0 0 92 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.300 112.0 26.7 -59.5 143.9 32.9 55.5 0.6 109 111 A G T 3 S+ 0 0 15 1,-0.2 22,-2.1 21,-0.1 -50,-0.4 0.461 100.5 96.1 83.3 3.4 32.0 52.3 -1.3 110 112 A I B < -I 130 0B 9 -3,-1.3 20,-0.3 20,-0.2 -1,-0.2 -0.976 52.4-168.3-124.0 138.7 29.6 53.9 -3.8 111 113 A G + 0 0 13 18,-2.5 -5,-0.2 -2,-0.4 -7,-0.2 0.264 60.7 9.8 -97.2-137.3 30.6 55.0 -7.3 112 114 A D S S+ 0 0 24 -9,-0.4 16,-0.8 -8,-0.2 17,-0.4 -0.173 80.1 172.1 -51.8 122.1 28.7 57.2 -9.8 113 115 A A E -GH 102 127A 0 -11,-2.2 -11,-2.6 14,-0.2 2,-0.5 -0.992 29.8-151.6-141.5 146.3 25.8 58.6 -7.8 114 116 A L E -GH 101 126A 0 12,-2.6 12,-2.4 -2,-0.3 2,-0.4 -0.975 12.3-169.1-115.6 125.0 23.0 61.1 -8.3 115 117 A R E -GH 100 125A 7 -15,-3.0 -15,-2.2 -2,-0.5 2,-0.3 -0.910 11.8-178.3-109.5 145.4 21.5 62.9 -5.3 116 118 A V E -GH 99 124A 0 8,-2.5 8,-1.5 -2,-0.4 2,-0.8 -0.968 36.0-129.7-139.2 150.1 18.3 65.0 -5.6 117 119 A E E - 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