==== 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 4GHH . COMPND 2 MOLECULE: HOMOPROTOCATECHUATE 2,3-DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BREVIBACTERIUM FUSCUM; . AUTHOR E.G.KOVALEVA,J.D.LIPSCOMB . 1430 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44818.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 929 65.0 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 . 337 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 . 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 . 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 . 89 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 119 8.3 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 . 15 5 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 3 A N 0 0 155 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -49.8 -0.2 70.5 -7.0 2 4 A E - 0 0 144 1,-0.1 161,-0.1 164,-0.0 162,-0.1 -0.193 360.0-120.4 -55.2 148.9 0.0 67.1 -8.7 3 5 A I - 0 0 7 160,-0.3 -1,-0.1 1,-0.0 92,-0.0 -0.872 33.0-126.0 -95.4 119.1 3.6 65.9 -9.7 4 6 A P - 0 0 87 0, 0.0 166,-0.0 0, 0.0 -1,-0.0 -0.237 16.5-113.7 -67.1 153.1 3.6 65.4 -13.5 5 7 A K - 0 0 144 1,-0.0 162,-0.0 2,-0.0 166,-0.0 -0.797 37.4-124.1 -84.4 119.9 4.8 62.1 -15.1 6 8 A P - 0 0 10 0, 0.0 4,-0.1 0, 0.0 85,-0.1 -0.192 4.6-139.3 -60.4 150.5 8.0 62.7 -17.1 7 9 A V S S+ 0 0 136 2,-0.1 3,-0.1 84,-0.1 84,-0.1 0.878 86.4 91.7 -67.2 -40.4 8.4 61.9 -20.7 8 10 A A S S- 0 0 18 82,-0.2 2,-0.0 1,-0.1 79,-0.0 -0.228 93.2-104.5 -55.5 136.2 11.9 60.6 -19.7 9 11 A P - 0 0 80 0, 0.0 82,-0.2 0, 0.0 -1,-0.1 -0.368 34.8-113.3 -66.4 141.5 11.9 56.9 -18.7 10 12 A A - 0 0 33 160,-0.2 78,-0.1 -4,-0.1 77,-0.1 -0.491 34.4-105.4 -67.7 144.3 12.1 56.1 -15.0 11 13 A P - 0 0 3 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 -0.385 33.3-109.1 -61.4 148.2 15.3 54.4 -13.8 12 14 A D - 0 0 45 69,-0.1 68,-2.2 -2,-0.1 2,-0.4 -0.774 39.1-161.0 -82.9 100.9 15.0 50.7 -13.0 13 15 A I E -A 79 0A 2 -2,-1.0 66,-0.3 158,-0.3 3,-0.1 -0.710 11.7-170.4 -91.3 129.5 15.2 50.7 -9.1 14 16 A L E - 0 0 9 64,-3.3 2,-0.3 -2,-0.4 65,-0.2 0.870 55.0 -53.3 -82.3 -46.0 16.2 47.4 -7.5 15 17 A R E -A 78 0A 9 63,-1.1 63,-1.9 178,-0.1 -1,-0.4 -0.960 65.1 -63.6 179.7 161.7 15.6 48.0 -3.8 16 18 A C E +A 77 0A 1 136,-0.3 61,-0.3 -2,-0.3 135,-0.1 -0.516 50.3 176.6 -63.4 140.7 16.4 50.2 -0.9 17 19 A A E - 0 0 0 59,-3.2 2,-0.3 1,-0.4 60,-0.2 0.736 47.0 -23.0-122.1 -46.4 20.1 49.9 -0.3 18 20 A Y E -A 76 0A 0 58,-1.5 58,-3.0 34,-0.0 -1,-0.4 -0.977 44.4-136.5-164.5 160.6 21.4 52.2 2.5 19 21 A A E -Ab 75 62A 0 42,-1.3 44,-2.9 -2,-0.3 2,-0.6 -0.971 11.7-146.0-121.3 142.6 20.7 55.3 4.6 20 22 A E E -Ab 74 63A 6 54,-2.9 53,-2.8 -2,-0.4 54,-1.5 -0.959 23.3-170.9-105.2 118.7 23.2 58.0 5.6 21 23 A L E -Ab 72 64A 0 42,-3.3 44,-2.7 -2,-0.6 2,-0.4 -0.944 18.4-136.7-112.1 130.9 22.2 59.3 9.0 22 24 A V E -Ab 71 65A 8 49,-3.4 49,-1.2 -2,-0.5 2,-0.3 -0.715 28.0-176.1 -84.8 132.0 23.8 62.3 10.6 23 25 A V E - b 0 66A 0 42,-2.1 44,-2.1 -2,-0.4 3,-0.2 -0.899 26.6-143.7-128.8 155.8 24.6 61.7 14.3 24 26 A T S S+ 0 0 61 -2,-0.3 2,-0.5 1,-0.3 -1,-0.1 0.792 91.2 34.2 -95.1 -31.3 25.9 64.0 17.0 25 27 A D > - 0 0 63 1,-0.1 4,-2.4 41,-0.0 -1,-0.3 -0.938 64.1-167.8-127.6 104.6 28.2 61.6 19.1 26 28 A L H > S+ 0 0 18 -2,-0.5 4,-2.7 1,-0.2 5,-0.1 0.888 87.5 52.9 -65.7 -35.8 29.8 59.0 16.9 27 29 A A H > S+ 0 0 72 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.903 110.5 45.4 -65.8 -45.1 30.9 57.0 20.0 28 30 A K H > S+ 0 0 133 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.896 114.5 48.8 -65.0 -41.6 27.5 56.8 21.5 29 31 A S H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.912 109.0 53.1 -64.8 -43.1 25.9 55.9 18.2 30 32 A R H X>S+ 0 0 76 -4,-2.7 4,-3.0 -5,-0.2 5,-1.0 0.912 106.6 53.3 -54.0 -44.4 28.5 53.2 17.6 31 33 A N H <>S+ 0 0 81 -4,-1.9 5,-2.4 3,-0.2 -1,-0.2 0.890 112.8 44.8 -62.1 -42.2 27.7 51.7 20.9 32 34 A F H <>S+ 0 0 13 -4,-1.7 5,-2.5 3,-0.2 -2,-0.2 0.970 122.1 33.6 -62.4 -56.8 24.0 51.5 20.0 33 35 A Y H <5S+ 0 0 0 -4,-2.8 6,-2.4 3,-0.2 -2,-0.2 0.819 132.8 27.0 -76.0 -36.1 24.4 50.2 16.4 34 36 A V T X5S+ 0 0 26 -4,-3.0 4,-1.0 -5,-0.3 -3,-0.2 0.890 130.2 31.7 -90.4 -56.8 27.4 47.9 16.9 35 37 A D T 4 - 0 0 0 -2,-0.3 3,-1.0 -14,-0.2 83,-0.3 -0.286 40.8 -97.2 -82.1 169.3 23.7 43.6 7.9 54 56 A F T 3 S+ 0 0 0 94,-2.6 82,-0.4 1,-0.2 85,-0.2 0.803 120.0 37.5 -58.3 -34.5 24.6 39.9 8.2 55 57 A E T 3 S+ 0 0 2 94,-2.1 -1,-0.2 81,-0.2 2,-0.2 0.367 89.6 116.4-105.0 4.2 23.5 38.9 4.6 56 58 A E < + 0 0 6 -3,-1.0 80,-0.6 93,-0.2 81,-0.1 -0.477 33.8 177.0 -78.7 143.8 24.7 42.0 2.8 57 59 A F + 0 0 1 -2,-0.2 76,-2.6 78,-0.2 -1,-0.1 0.550 59.5 88.2-115.0 -21.4 27.4 42.0 0.1 58 60 A I S S- 0 0 0 74,-0.2 74,-0.2 1,-0.1 52,-0.1 -0.342 100.0 -93.4 -71.2 167.0 27.3 45.6 -1.0 59 61 A H S S- 0 0 18 50,-0.5 2,-0.3 72,-0.2 -1,-0.1 0.826 90.4 -18.8 -59.7 -38.2 29.5 47.9 1.0 60 62 A H - 0 0 0 49,-0.1 -8,-0.3 1,-0.1 3,-0.1 -0.984 31.9-154.5-162.0 162.2 27.0 49.0 3.6 61 63 A N S S+ 0 0 0 -10,-3.0 -42,-1.3 1,-0.3 2,-0.3 0.401 90.0 33.0-113.3 -14.4 23.4 49.5 4.6 62 64 A L E -bD 19 51A 0 -11,-2.0 -11,-3.2 -44,-0.2 2,-0.5 -0.960 59.0-166.8-148.1 129.0 23.9 52.3 7.1 63 65 A V E -bD 20 50A 0 -44,-2.9 -42,-3.3 -2,-0.3 2,-0.6 -0.976 8.5-159.9-117.0 121.7 26.4 55.2 7.2 64 66 A L E -bD 21 49A 0 -15,-2.7 -15,-2.0 -2,-0.5 2,-0.5 -0.929 13.1-171.4 -96.9 118.3 26.6 57.2 10.4 65 67 A T E -bD 22 48A 17 -44,-2.7 -42,-2.1 -2,-0.6 -17,-0.2 -0.952 22.4-126.4-117.2 121.9 28.2 60.6 9.7 66 68 A K E +b 23 0A 106 -19,-2.9 -42,-0.2 -2,-0.5 -44,-0.1 -0.413 48.4 144.3 -65.9 139.2 29.2 62.9 12.5 67 69 A G - 0 0 19 -44,-2.1 3,-0.1 -2,-0.1 -41,-0.0 -0.950 59.3-102.1-168.0 170.0 27.5 66.3 12.1 68 70 A P S S+ 0 0 128 0, 0.0 2,-0.5 0, 0.0 -44,-0.1 0.727 105.2 43.4 -80.2 -26.2 26.0 69.2 14.2 69 71 A V S S- 0 0 58 -46,-0.1 -47,-0.1 2,-0.0 2,-0.1 -0.962 83.5-128.5-128.0 116.4 22.3 68.3 13.6 70 72 A A + 0 0 21 -2,-0.5 238,-0.4 -3,-0.1 2,-0.3 -0.380 55.4 122.4 -60.7 130.6 21.0 64.8 13.7 71 73 A A E -A 22 0A 0 -49,-1.2 -49,-3.4 236,-0.1 2,-0.5 -0.973 66.8 -78.7-175.2 163.9 19.0 64.1 10.5 72 74 A L E +Ae 21 309A 1 236,-2.6 238,-2.3 -2,-0.3 -51,-0.2 -0.792 37.4 179.5 -76.0 124.8 18.6 61.9 7.4 73 75 A K E - 0 0 74 -53,-2.8 2,-0.3 -2,-0.5 -52,-0.2 0.777 65.6 -4.6 -96.6 -33.4 21.2 62.9 4.8 74 76 A A E -A 20 0A 0 -54,-1.5 -54,-2.9 41,-0.0 2,-0.5 -0.935 47.4-156.0-160.9 136.0 20.4 60.5 2.1 75 77 A M E -Af 19 124A 0 48,-2.6 50,-2.4 -2,-0.3 2,-0.4 -0.987 32.0-155.1-108.2 117.3 18.1 57.5 1.5 76 78 A A E -Af 18 125A 0 -58,-3.0 -59,-3.2 -2,-0.5 -58,-1.5 -0.844 17.6-172.4-107.0 136.0 19.7 55.4 -1.3 77 79 A F E -Af 16 126A 0 48,-2.8 50,-1.5 -2,-0.4 2,-0.4 -0.942 23.2-130.5-115.5 138.7 18.2 52.9 -3.8 78 80 A R E -Af 15 127A 0 -63,-1.9 -64,-3.3 -2,-0.4 -63,-1.1 -0.743 20.6-147.7 -90.1 137.6 20.3 50.8 -6.0 79 81 A V E -A 13 0A 0 48,-2.6 -66,-0.2 -2,-0.4 6,-0.1 -0.596 21.0-114.7-101.2 163.8 19.5 50.8 -9.8 80 82 A R S S+ 0 0 104 -68,-2.2 -67,-0.1 -2,-0.2 -1,-0.1 0.864 90.0 14.1 -73.4 -35.9 19.9 47.8 -12.2 81 83 A T S >> S- 0 0 34 -69,-0.2 3,-1.3 1,-0.1 4,-0.7 -0.906 74.6-110.2-136.6 159.7 22.5 49.3 -14.5 82 84 A P H >> S+ 0 0 64 0, 0.0 3,-1.0 0, 0.0 4,-0.8 0.877 119.1 60.4 -55.9 -33.0 25.0 52.1 -14.6 83 85 A E H 3> S+ 0 0 113 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.687 91.9 67.0 -68.1 -20.2 22.8 53.6 -17.4 84 86 A D H <> S+ 0 0 5 -3,-1.3 4,-2.7 2,-0.2 -1,-0.3 0.781 92.5 59.0 -72.7 -25.6 19.9 53.7 -14.9 85 87 A V H S+ 0 0 0 -4,-2.4 5,-2.7 2,-0.2 4,-0.2 0.803 111.2 56.7 -71.7 -28.0 14.6 64.3 -11.9 93 95 A Q H ><5S+ 0 0 109 -4,-1.8 3,-1.7 -5,-0.3 -1,-0.2 0.941 106.1 49.5 -65.4 -43.4 15.7 67.1 -14.1 94 96 A E H 3<5S+ 0 0 94 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.853 106.7 56.6 -61.6 -33.7 12.5 66.9 -16.1 95 97 A L T 3<5S- 0 0 31 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.535 117.3-119.8 -71.6 -8.3 10.7 67.0 -12.7 96 98 A G T < 5 + 0 0 69 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.731 62.9 147.8 74.7 25.9 12.6 70.3 -12.1 97 99 A C < - 0 0 22 -5,-2.7 2,-0.3 1,-0.1 -1,-0.3 -0.629 55.2-104.6 -93.3 146.9 14.3 68.9 -9.0 98 100 A R - 0 0 100 19,-0.4 19,-2.4 -2,-0.3 2,-0.3 -0.551 45.9-177.9 -65.7 133.5 17.8 69.8 -7.9 99 101 A T E -G 116 0A 28 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.904 18.2-168.6-132.9 157.5 20.3 67.1 -8.6 100 102 A E E -G 115 0A 56 15,-2.5 15,-3.2 -2,-0.3 2,-0.4 -0.925 8.7-164.0-149.3 125.7 24.0 66.5 -8.0 101 103 A R E -G 114 0A 67 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.953 5.7-175.0-119.4 130.5 26.0 63.6 -9.6 102 104 A R E > -G 113 0A 113 11,-2.6 3,-2.1 -2,-0.4 11,-2.0 -0.962 17.0-157.0-125.6 118.7 29.4 62.4 -8.5 103 105 A K T 3 S+ 0 0 151 -2,-0.4 9,-0.4 1,-0.3 -1,-0.1 0.724 99.2 45.1 -64.5 -23.8 31.3 59.7 -10.5 104 106 A D T 3 S- 0 0 133 1,-0.2 -1,-0.3 7,-0.2 6,-0.2 0.160 115.4-115.8-106.2 12.2 33.3 58.7 -7.4 105 107 A G < - 0 0 13 -3,-2.1 -1,-0.2 8,-0.1 7,-0.1 0.139 10.9-103.2 79.4 165.4 30.3 58.7 -5.0 106 108 A F S S+ 0 0 40 5,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.609 102.6 30.2 -96.0 -29.5 29.3 60.7 -1.9 107 109 A V S > S- 0 0 7 4,-0.2 3,-1.3 3,-0.1 -1,-0.2 -0.931 99.7 -83.5-129.8 157.2 30.3 58.0 0.7 108 110 A K T 3 S+ 0 0 97 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.246 111.0 30.3 -60.5 143.7 32.9 55.3 0.7 109 111 A G T 3 S+ 0 0 14 1,-0.2 22,-2.1 -50,-0.1 -50,-0.5 0.396 100.2 93.4 86.5 -1.5 32.0 52.0 -1.1 110 112 A I B < -I 130 0B 7 -3,-1.3 20,-0.3 20,-0.2 -1,-0.2 -0.985 52.9-171.1-123.0 131.4 29.6 53.7 -3.6 111 113 A G + 0 0 16 18,-2.7 -7,-0.2 -2,-0.4 -5,-0.2 0.341 62.5 12.5 -90.2-131.7 30.8 54.8 -7.1 112 114 A D S S+ 0 0 24 -9,-0.4 16,-0.9 -8,-0.2 17,-0.4 -0.217 79.9 171.6 -56.1 117.9 28.9 56.8 -9.6 113 115 A A E -GH 102 127A 0 -11,-2.0 -11,-2.6 14,-0.2 2,-0.5 -0.994 29.1-152.7-137.0 141.3 25.9 58.3 -7.7 114 116 A L E -GH 101 126A 0 12,-2.6 12,-2.4 -2,-0.3 2,-0.4 -0.958 12.7-168.3-110.5 120.6 23.1 60.8 -8.2 115 117 A R E -GH 100 125A 8 -15,-3.2 -15,-2.5 -2,-0.5 2,-0.3 -0.881 12.2-179.1-104.2 146.3 21.6 62.6 -5.2 116 118 A V E -GH 99 124A 0 8,-2.4 8,-1.7 -2,-0.4 2,-0.8 -0.982 35.6-129.5-140.2 149.4 18.4 64.6 -5.6 117 119 A E E - 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