==== 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 4GHD . COMPND 2 MOLECULE: HOMOPROTOCATECHUATE 2,3-DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BREVIBACTERIUM FUSCUM; . AUTHOR E.G.KOVALEVA,J.D.LIPSCOMB . 1432 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44951.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 927 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 . 342 23.9 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 . 1 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 . 87 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 120 8.4 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 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 8 0 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 . 16 6 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 0 146 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -11.8 0.5 70.7 -6.8 2 4 A E - 0 0 138 1,-0.1 161,-0.1 164,-0.0 162,-0.1 -0.421 360.0-124.4 -57.2 137.4 0.1 67.3 -8.6 3 5 A I - 0 0 6 160,-0.3 -1,-0.1 -2,-0.1 92,-0.0 -0.800 29.3-127.8 -90.8 119.0 3.6 66.2 -9.5 4 6 A P - 0 0 78 0, 0.0 -1,-0.0 0, 0.0 166,-0.0 -0.271 15.1-112.9 -71.7 152.2 3.6 65.6 -13.3 5 7 A K - 0 0 143 1,-0.0 162,-0.0 2,-0.0 166,-0.0 -0.770 38.9-127.6 -79.2 117.0 4.8 62.3 -14.9 6 8 A P - 0 0 11 0, 0.0 4,-0.1 0, 0.0 85,-0.1 -0.214 4.5-132.4 -63.9 155.4 8.0 63.1 -16.9 7 9 A V S S+ 0 0 138 2,-0.1 3,-0.1 84,-0.1 84,-0.1 0.913 86.6 90.5 -65.4 -42.9 8.4 62.2 -20.5 8 10 A A S S- 0 0 19 82,-0.2 79,-0.0 1,-0.1 2,-0.0 -0.198 92.8-101.5 -59.1 139.1 11.9 60.8 -19.6 9 11 A P - 0 0 79 0, 0.0 82,-0.2 0, 0.0 -1,-0.1 -0.358 37.1-113.3 -64.0 140.9 11.9 57.1 -18.6 10 12 A A - 0 0 30 160,-0.2 78,-0.1 -4,-0.1 77,-0.1 -0.420 35.5-102.3 -67.5 148.3 12.1 56.3 -14.9 11 13 A P - 0 0 3 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 -0.393 33.4-111.7 -62.8 149.4 15.2 54.6 -13.6 12 14 A D - 0 0 48 69,-0.1 68,-2.4 -2,-0.1 2,-0.4 -0.808 38.5-161.8 -89.2 101.5 15.0 50.9 -12.9 13 15 A I E -A 79 0A 2 -2,-1.0 66,-0.3 158,-0.3 3,-0.1 -0.722 13.9-170.1 -91.0 129.6 15.3 50.8 -9.0 14 16 A L E - 0 0 8 64,-3.1 2,-0.3 -2,-0.4 65,-0.2 0.882 56.1 -53.8 -82.8 -45.1 16.2 47.5 -7.5 15 17 A R E -A 78 0A 8 63,-1.1 63,-2.0 178,-0.1 -1,-0.4 -0.947 63.6 -64.5 178.0 161.4 15.7 48.2 -3.8 16 18 A C E +A 77 0A 0 136,-0.3 61,-0.2 -2,-0.3 135,-0.1 -0.508 51.0 174.6 -65.2 141.1 16.5 50.4 -0.8 17 19 A A E - 0 0 0 59,-3.0 2,-0.3 1,-0.4 60,-0.2 0.700 47.9 -14.7-127.3 -45.9 20.2 50.0 -0.2 18 20 A Y E -A 76 0A 0 58,-1.7 58,-2.9 34,-0.0 -1,-0.4 -0.983 46.2-141.7-159.3 156.8 21.5 52.3 2.5 19 21 A A E -Ab 75 62A 0 42,-1.6 44,-2.7 -2,-0.3 2,-0.6 -0.978 11.7-145.8-119.7 143.0 20.7 55.4 4.6 20 22 A E E -Ab 74 63A 5 54,-3.0 53,-3.0 -2,-0.4 54,-1.5 -0.946 21.9-172.2-101.9 116.7 23.1 58.1 5.7 21 23 A L E -Ab 72 64A 1 42,-2.9 44,-2.9 -2,-0.6 2,-0.4 -0.945 18.0-139.8-110.3 127.4 22.2 59.4 9.1 22 24 A V E -Ab 71 65A 8 49,-3.1 49,-1.2 -2,-0.5 2,-0.3 -0.722 27.1-176.3 -77.8 136.2 23.9 62.4 10.7 23 25 A V E - b 0 66A 0 42,-2.2 44,-2.1 -2,-0.4 3,-0.2 -0.925 27.2-141.0-134.2 156.7 24.5 61.9 14.4 24 26 A T S S+ 0 0 61 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.731 91.8 35.0 -94.9 -28.4 25.9 64.2 17.1 25 27 A D > - 0 0 67 1,-0.1 4,-2.1 41,-0.0 3,-0.2 -0.901 64.2-167.9-131.5 101.8 28.1 61.8 19.2 26 28 A L H > S+ 0 0 22 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.869 86.3 54.3 -62.7 -36.4 29.8 59.2 17.0 27 29 A A H > S+ 0 0 73 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.883 109.3 45.8 -64.4 -44.6 30.9 57.1 20.0 28 30 A K H > S+ 0 0 130 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.916 114.0 49.1 -65.8 -42.1 27.4 56.8 21.6 29 31 A S H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.894 108.4 53.8 -63.3 -42.0 25.9 55.9 18.2 30 32 A R H X>S+ 0 0 72 -4,-2.5 4,-2.9 -5,-0.2 5,-1.1 0.922 107.2 52.5 -55.9 -44.2 28.6 53.3 17.6 31 33 A N H <>S+ 0 0 84 -4,-1.8 5,-2.8 3,-0.2 4,-0.2 0.912 113.6 42.9 -59.4 -44.9 27.7 51.7 20.9 32 34 A F H <>S+ 0 0 13 -4,-1.9 5,-2.5 3,-0.2 6,-0.2 0.972 122.0 36.2 -63.8 -57.2 24.0 51.5 20.0 33 35 A Y H <5S+ 0 0 0 -4,-3.0 6,-2.4 3,-0.2 -2,-0.2 0.858 132.5 24.9 -72.9 -34.7 24.4 50.3 16.4 34 36 A V T X5S+ 0 0 24 -4,-2.9 4,-0.9 -5,-0.3 -3,-0.2 0.908 130.5 32.8 -95.2 -56.7 27.4 48.0 16.9 35 37 A D T 4 - 0 0 0 -2,-0.3 3,-1.0 -14,-0.2 83,-0.3 -0.278 41.9 -95.9 -79.8 167.8 23.7 43.7 7.9 54 56 A F T 3 S+ 0 0 0 94,-2.3 82,-0.6 1,-0.2 85,-0.2 0.794 120.3 37.9 -56.2 -37.3 24.6 40.0 8.2 55 57 A E T 3 S+ 0 0 2 94,-2.2 -1,-0.2 81,-0.2 2,-0.2 0.424 89.2 114.9-100.5 3.8 23.6 39.1 4.7 56 58 A E < - 0 0 5 -3,-1.0 80,-0.5 93,-0.2 81,-0.1 -0.470 35.3-179.8 -80.7 146.1 24.7 42.1 2.7 57 59 A F + 0 0 0 -2,-0.2 76,-2.9 78,-0.2 -1,-0.1 0.556 60.0 87.2-114.0 -19.5 27.4 42.1 0.0 58 60 A I S S- 0 0 0 74,-0.2 74,-0.2 1,-0.1 52,-0.1 -0.353 99.2 -92.8 -73.0 172.1 27.4 45.8 -1.0 59 61 A H S S- 0 0 20 50,-0.5 2,-0.3 72,-0.2 -1,-0.1 0.816 90.9 -16.3 -63.1 -39.5 29.6 48.1 1.1 60 62 A H - 0 0 0 49,-0.1 -8,-0.3 1,-0.1 -1,-0.1 -0.983 31.4-155.8-160.6 159.0 27.1 49.2 3.7 61 63 A N S S+ 0 0 0 -10,-3.3 -42,-1.6 1,-0.3 2,-0.3 0.422 90.3 31.7-111.2 -13.5 23.4 49.5 4.7 62 64 A L E -bD 19 51A 1 -11,-2.1 -11,-2.9 -44,-0.2 2,-0.5 -0.964 58.2-166.2-152.5 130.1 24.0 52.4 7.0 63 65 A V E -bD 20 50A 0 -44,-2.7 -42,-2.9 -2,-0.3 2,-0.6 -0.976 8.6-160.3-119.0 122.7 26.4 55.4 7.2 64 66 A L E -bD 21 49A 0 -15,-2.6 -15,-1.9 -2,-0.5 2,-0.5 -0.907 13.8-171.0-102.8 119.3 26.6 57.3 10.5 65 67 A T E -bD 22 48A 17 -44,-2.9 -42,-2.2 -2,-0.6 -17,-0.2 -0.961 20.8-127.0-120.3 124.2 28.1 60.7 9.8 66 68 A K E +b 23 0A 102 -19,-2.9 -42,-0.2 -2,-0.5 -44,-0.1 -0.436 47.6 139.7 -68.5 138.3 29.1 63.0 12.6 67 69 A G - 0 0 15 -44,-2.1 3,-0.1 -2,-0.1 -41,-0.0 -0.970 62.0 -96.1-168.8 174.3 27.6 66.5 12.4 68 70 A P S S+ 0 0 125 0, 0.0 2,-0.5 0, 0.0 -44,-0.1 0.821 106.2 42.8 -74.5 -30.3 26.1 69.4 14.3 69 71 A V S S- 0 0 54 -46,-0.1 -47,-0.1 -3,-0.0 2,-0.1 -0.945 81.9-128.4-124.9 113.6 22.4 68.5 13.7 70 72 A A + 0 0 20 -2,-0.5 238,-0.4 -3,-0.1 2,-0.3 -0.356 56.1 123.9 -56.9 128.3 21.0 64.9 13.9 71 73 A A E -A 22 0A 0 -49,-1.2 -49,-3.1 236,-0.1 2,-0.5 -0.974 66.7 -80.4-173.4 161.3 19.0 64.2 10.6 72 74 A L E +Ae 21 309A 0 236,-2.5 238,-2.6 -2,-0.3 -51,-0.2 -0.727 38.6 178.2 -72.1 123.9 18.6 62.0 7.5 73 75 A K E - 0 0 74 -53,-3.0 2,-0.3 -2,-0.5 -52,-0.2 0.751 64.7 -2.5 -98.0 -34.1 21.2 63.1 5.0 74 76 A A E -A 20 0A 0 -54,-1.5 -54,-3.0 2,-0.0 2,-0.5 -0.932 47.8-156.1-156.6 136.0 20.4 60.6 2.2 75 77 A M E -Af 19 124A 0 48,-2.6 50,-2.3 -2,-0.3 2,-0.5 -0.981 31.8-154.0-105.6 119.3 18.1 57.7 1.5 76 78 A A E -Af 18 125A 0 -58,-2.9 -59,-3.0 -2,-0.5 -58,-1.7 -0.836 17.2-173.3-110.7 131.2 19.8 55.6 -1.1 77 79 A F E -Af 16 126A 0 48,-3.0 50,-1.5 -2,-0.5 2,-0.3 -0.939 21.8-132.2-114.0 136.5 18.3 53.2 -3.7 78 80 A R E -Af 15 127A 0 -63,-2.0 -64,-3.1 -2,-0.4 -63,-1.1 -0.712 20.6-149.0 -88.5 138.7 20.4 50.9 -5.9 79 81 A V E -A 13 0A 0 48,-2.7 -66,-0.2 -2,-0.3 6,-0.1 -0.652 22.1-112.9-108.8 166.0 19.5 50.9 -9.6 80 82 A R S S+ 0 0 101 -68,-2.4 -67,-0.1 -2,-0.2 -1,-0.1 0.849 88.9 8.1 -76.0 -35.8 19.9 48.0 -12.0 81 83 A T S >> S- 0 0 32 -69,-0.2 3,-1.3 1,-0.1 4,-0.5 -0.927 74.0-105.1-139.2 164.1 22.6 49.4 -14.3 82 84 A P H >> S+ 0 0 66 0, 0.0 3,-1.7 0, 0.0 4,-0.8 0.919 119.5 59.1 -53.3 -42.9 25.1 52.3 -14.6 83 85 A E H 3> S+ 0 0 115 1,-0.3 4,-1.5 2,-0.2 5,-0.1 0.703 93.4 66.9 -62.8 -18.4 22.9 53.8 -17.4 84 86 A D H <> S+ 0 0 6 -3,-1.3 4,-2.3 2,-0.2 -1,-0.3 0.707 91.2 61.1 -74.2 -20.7 20.0 54.0 -14.9 85 87 A V H S+ 0 0 0 -4,-2.3 5,-2.9 1,-0.2 4,-0.2 0.838 111.5 56.0 -71.1 -30.7 14.6 64.5 -11.8 93 95 A Q H ><5S+ 0 0 104 -4,-2.3 3,-1.6 -5,-0.2 -1,-0.2 0.923 107.9 48.3 -61.5 -45.4 15.8 67.4 -14.0 94 96 A E H 3<5S+ 0 0 94 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.882 107.3 55.8 -65.0 -34.7 12.5 67.1 -15.9 95 97 A L T 3<5S- 0 0 28 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.561 119.2-118.1 -68.6 -7.9 10.7 67.1 -12.6 96 98 A G T < 5 + 0 0 69 -3,-1.6 2,-0.2 1,-0.2 -3,-0.2 0.694 63.0 149.9 76.7 22.7 12.5 70.4 -11.9 97 99 A C < - 0 0 19 -5,-2.9 -1,-0.2 -6,-0.1 2,-0.2 -0.590 54.1-107.9 -92.1 148.2 14.4 69.0 -8.9 98 100 A R - 0 0 106 19,-0.4 19,-1.9 -2,-0.2 2,-0.3 -0.520 45.8-177.1 -66.7 132.6 17.8 70.1 -7.7 99 101 A T E -G 116 0A 29 17,-0.2 2,-0.3 -2,-0.2 17,-0.2 -0.965 19.8-165.2-135.3 155.4 20.3 67.3 -8.5 100 102 A E E -G 115 0A 55 15,-2.8 15,-3.5 -2,-0.3 2,-0.5 -0.983 9.4-162.6-143.2 127.7 24.0 66.6 -7.8 101 103 A R E -G 114 0A 67 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.955 6.4-176.1-120.6 124.3 26.0 63.9 -9.6 102 104 A R E > -G 113 0A 110 11,-3.0 3,-2.1 -2,-0.5 11,-2.0 -0.945 18.0-159.4-129.0 116.2 29.4 62.5 -8.4 103 105 A K T 3 S+ 0 0 152 -2,-0.4 9,-0.4 1,-0.3 -1,-0.1 0.717 97.4 44.1 -64.1 -24.9 31.3 59.9 -10.4 104 106 A D T 3 S- 0 0 135 1,-0.2 -1,-0.3 7,-0.2 6,-0.2 0.171 114.9-111.4-104.9 12.5 33.3 58.9 -7.3 105 107 A G < - 0 0 12 -3,-2.1 -1,-0.2 8,-0.1 7,-0.1 0.178 11.5-108.0 81.6 158.5 30.3 58.8 -4.8 106 108 A F S S+ 0 0 39 5,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.627 102.2 32.6 -91.9 -27.9 29.4 60.9 -1.8 107 109 A V S > S- 0 0 8 4,-0.2 3,-1.3 3,-0.1 -1,-0.1 -0.919 100.8 -83.8-127.7 158.1 30.3 58.2 0.8 108 110 A K T 3 S+ 0 0 97 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.274 110.9 29.1 -59.1 140.9 33.0 55.5 0.8 109 111 A G T 3 S+ 0 0 14 1,-0.2 22,-2.2 -50,-0.1 -50,-0.5 0.393 99.8 95.1 91.4 -2.4 32.0 52.2 -1.0 110 112 A I B < -I 130 0B 7 -3,-1.3 20,-0.3 20,-0.2 -1,-0.2 -0.979 52.9-168.4-123.3 131.0 29.7 53.8 -3.5 111 113 A G + 0 0 14 18,-2.6 -7,-0.2 -2,-0.4 -5,-0.2 0.335 62.8 10.3 -86.3-138.5 30.8 54.9 -7.0 112 114 A D S S+ 0 0 23 -9,-0.4 16,-0.8 -8,-0.2 17,-0.4 -0.206 80.0 173.1 -46.6 116.0 28.9 57.0 -9.5 113 115 A A E -GH 102 127A 0 -11,-2.0 -11,-3.0 14,-0.2 2,-0.5 -0.976 27.4-153.0-135.0 143.0 26.0 58.4 -7.5 114 116 A L E -GH 101 126A 0 12,-2.6 12,-2.5 -2,-0.3 2,-0.4 -0.982 11.4-166.8-113.2 125.8 23.2 61.0 -8.1 115 117 A R E -GH 100 125A 8 -15,-3.5 -15,-2.8 -2,-0.5 2,-0.3 -0.917 11.3-180.0-105.9 146.5 21.6 62.9 -5.1 116 118 A V E -GH 99 124A 0 8,-2.4 8,-1.7 -2,-0.4 2,-0.9 -0.979 35.8-130.8-137.9 147.8 18.4 64.8 -5.5 117 119 A E E - 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