==== 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 22-SEP-06 2IGA . COMPND 2 MOLECULE: 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) . 44751.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 943 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 . 343 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 . 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 . 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 . 89 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 123 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 6 2 0 4 0 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 . 14 6 2 19 5 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 0 183 0, 0.0 161,-0.1 0, 0.0 162,-0.1 0.000 360.0 360.0 360.0 126.3 -0.0 -8.6 -8.7 2 5 A I - 0 0 10 160,-0.3 92,-0.0 1,-0.0 0, 0.0 -0.766 360.0-123.5 -84.1 120.3 3.5 -9.6 -9.6 3 6 A P - 0 0 81 0, 0.0 -1,-0.0 0, 0.0 166,-0.0 -0.227 16.7-113.3 -64.8 151.5 3.6 -10.1 -13.5 4 7 A K - 0 0 148 1,-0.0 162,-0.0 2,-0.0 166,-0.0 -0.812 38.1-126.1 -81.8 114.3 4.7 -13.4 -15.1 5 8 A P - 0 0 11 0, 0.0 4,-0.1 0, 0.0 85,-0.1 -0.160 3.5-136.8 -56.0 147.5 8.0 -12.7 -17.0 6 9 A V S S+ 0 0 134 2,-0.1 84,-0.1 84,-0.1 -2,-0.0 0.900 87.3 86.1 -67.3 -42.9 8.4 -13.6 -20.6 7 10 A A S S- 0 0 23 82,-0.2 2,-0.0 1,-0.1 79,-0.0 -0.317 94.2-102.7 -56.9 134.9 11.8 -15.0 -19.7 8 11 A P - 0 0 82 0, 0.0 82,-0.2 0, 0.0 -1,-0.1 -0.310 35.3-110.3 -59.5 139.5 11.7 -18.7 -18.6 9 12 A A - 0 0 31 160,-0.2 2,-0.2 -4,-0.1 78,-0.1 -0.329 38.0-101.8 -58.7 149.6 12.0 -19.5 -14.8 10 13 A P - 0 0 3 0, 0.0 2,-1.2 0, 0.0 -1,-0.1 -0.570 37.3-109.0 -71.1 142.6 15.3 -21.1 -13.7 11 14 A D - 0 0 47 -2,-0.2 68,-1.8 -3,-0.1 2,-0.4 -0.599 39.9-158.1 -68.1 98.3 14.9 -24.9 -13.1 12 15 A I E -A 78 0A 3 -2,-1.2 66,-0.2 158,-0.3 3,-0.1 -0.610 15.1-170.4 -84.6 133.1 15.1 -25.0 -9.2 13 16 A L E - 0 0 9 64,-3.0 2,-0.3 -2,-0.4 65,-0.2 0.911 55.9 -57.2 -82.8 -45.4 16.1 -28.4 -7.7 14 17 A R E -A 77 0A 9 63,-1.0 63,-1.8 178,-0.1 -1,-0.3 -0.927 64.1 -64.0 177.2 163.3 15.5 -27.8 -3.9 15 18 A C E +A 76 0A 1 136,-0.3 61,-0.2 -2,-0.3 135,-0.1 -0.472 50.9 175.5 -64.6 145.4 16.4 -25.6 -1.0 16 19 A A E - 0 0 0 59,-2.4 2,-0.3 1,-0.4 60,-0.2 0.671 48.8 -15.1-131.1 -47.6 20.1 -26.1 -0.3 17 20 A Y E -A 75 0A 0 58,-1.3 58,-2.8 34,-0.0 -1,-0.4 -0.976 47.3-141.2-158.1 155.3 21.4 -23.8 2.4 18 21 A A E -Ab 74 61A 0 42,-1.6 44,-2.6 -2,-0.3 2,-0.6 -0.961 10.9-145.6-115.5 149.3 20.7 -20.7 4.5 19 22 A E E -Ab 73 62A 4 54,-3.0 53,-3.2 -2,-0.4 54,-1.3 -0.927 21.4-173.8-106.2 115.4 23.1 -17.9 5.6 20 23 A L E -Ab 71 63A 1 42,-2.8 44,-3.0 -2,-0.6 2,-0.5 -0.899 19.6-137.6-108.7 134.3 22.2 -16.6 9.0 21 24 A V E -Ab 70 64A 8 49,-3.5 49,-1.0 -2,-0.5 2,-0.3 -0.763 27.5-173.2 -82.8 131.9 23.9 -13.6 10.6 22 25 A V E - b 0 65A 0 42,-2.6 44,-2.1 -2,-0.5 3,-0.2 -0.897 24.7-143.5-127.9 156.9 24.6 -14.3 14.3 23 26 A T S S+ 0 0 65 -2,-0.3 2,-0.5 1,-0.3 -1,-0.1 0.776 91.3 33.1 -96.7 -29.9 26.0 -12.0 17.1 24 27 A D > - 0 0 64 1,-0.1 4,-2.2 41,-0.0 -1,-0.3 -0.923 66.4-167.3-126.6 107.5 28.2 -14.3 19.2 25 28 A L H > S+ 0 0 18 -2,-0.5 4,-2.3 1,-0.2 -1,-0.1 0.840 86.1 51.4 -68.4 -32.9 29.8 -16.9 16.9 26 29 A A H > S+ 0 0 73 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.857 110.1 49.4 -65.8 -42.7 31.0 -19.1 19.9 27 30 A K H > S+ 0 0 133 2,-0.2 4,-1.2 -3,-0.2 -2,-0.2 0.884 112.6 46.9 -68.1 -41.6 27.6 -19.2 21.5 28 31 A S H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.4 0.915 108.3 56.3 -64.6 -42.6 26.0 -20.1 18.2 29 32 A R H X>S+ 0 0 72 -4,-2.3 4,-2.8 1,-0.2 5,-1.1 0.924 104.6 53.5 -54.8 -47.6 28.7 -22.8 17.6 30 33 A N H <>S+ 0 0 87 -4,-2.0 5,-1.9 3,-0.2 -1,-0.2 0.861 113.3 43.4 -52.3 -42.9 27.8 -24.4 20.9 31 34 A F H <>S+ 0 0 11 -4,-1.2 5,-2.1 -3,-0.3 4,-0.3 0.965 121.3 35.0 -70.0 -58.9 24.1 -24.6 19.9 32 35 A Y H <5S+ 0 0 0 -4,-2.6 6,-2.6 3,-0.2 -2,-0.2 0.856 133.9 25.3 -71.2 -35.7 24.3 -25.9 16.3 33 36 A V T X5S+ 0 0 24 -4,-2.8 4,-1.1 -5,-0.4 -3,-0.2 0.912 129.8 34.4 -91.9 -57.7 27.4 -28.1 16.8 34 37 A D T 4 - 0 0 0 -2,-0.3 3,-1.2 -14,-0.2 83,-0.3 -0.342 40.9 -95.3 -82.4 171.4 23.6 -32.5 7.7 53 56 A F T 3 S+ 0 0 0 94,-2.4 82,-0.3 1,-0.2 85,-0.2 0.813 121.0 38.1 -59.6 -36.0 24.4 -36.2 8.0 54 57 A E T 3 S+ 0 0 2 94,-2.0 -1,-0.2 81,-0.2 2,-0.2 0.338 89.1 119.4-100.0 4.5 23.3 -37.1 4.4 55 58 A E < + 0 0 6 -3,-1.2 80,-0.6 1,-0.1 81,-0.1 -0.536 33.0 176.5 -79.6 135.8 24.6 -34.0 2.6 56 59 A F + 0 0 0 -2,-0.2 76,-2.7 78,-0.2 -1,-0.1 0.587 60.2 87.0-105.1 -23.0 27.2 -34.1 -0.2 57 60 A I S S- 0 0 0 74,-0.2 74,-0.2 1,-0.1 52,-0.1 -0.313 99.7 -93.0 -69.2 166.1 27.2 -30.3 -1.1 58 61 A H S S- 0 0 19 50,-0.4 2,-0.3 72,-0.3 -1,-0.1 0.795 91.6 -23.3 -54.5 -37.7 29.6 -28.1 0.9 59 62 A H - 0 0 0 49,-0.1 -8,-0.3 1,-0.1 3,-0.1 -0.990 33.3-149.7-170.5 157.2 27.1 -27.0 3.5 60 63 A N S S+ 0 0 0 -10,-3.3 -42,-1.6 1,-0.3 2,-0.3 0.461 90.2 31.0-111.3 -12.5 23.4 -26.6 4.5 61 64 A L E -bD 18 50A 0 -11,-1.8 -11,-2.9 -44,-0.3 2,-0.5 -0.961 59.0-164.2-153.4 129.5 23.9 -23.7 6.9 62 65 A V E -bD 19 49A 0 -44,-2.6 -42,-2.8 -2,-0.3 2,-0.6 -0.973 9.1-157.7-115.4 123.0 26.4 -20.8 7.2 63 66 A L E -bD 20 48A 0 -15,-3.0 -15,-2.0 -2,-0.5 2,-0.5 -0.899 15.4-168.9 -99.4 121.3 26.7 -18.9 10.4 64 67 A T E -bD 21 47A 17 -44,-3.0 -42,-2.6 -2,-0.6 -17,-0.2 -0.953 20.9-125.6-119.0 120.6 28.1 -15.4 9.8 65 68 A K E +b 22 0A 123 -19,-3.0 -42,-0.2 -2,-0.5 -44,-0.0 -0.409 49.8 140.7 -62.1 132.9 29.3 -13.1 12.5 66 69 A G - 0 0 18 -44,-2.1 3,-0.1 -2,-0.1 -41,-0.0 -0.980 59.8-103.3-164.2 170.4 27.6 -9.7 12.3 67 70 A P S S+ 0 0 126 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.882 104.4 41.1 -71.3 -40.3 26.1 -6.8 14.3 68 71 A V S S- 0 0 56 -46,-0.1 -47,-0.1 2,-0.0 2,-0.1 -0.941 84.8-127.1-119.9 113.0 22.3 -7.5 13.7 69 72 A A + 0 0 21 -2,-0.6 238,-0.4 -3,-0.1 2,-0.3 -0.305 56.7 124.7 -51.7 123.6 21.0 -11.1 13.8 70 73 A A E -A 21 0A 0 -49,-1.0 -49,-3.5 236,-0.1 2,-0.5 -0.985 65.7 -78.3-167.7 172.4 19.2 -11.8 10.5 71 74 A L E -Ae 20 308A 0 236,-2.6 238,-2.8 -2,-0.3 -51,-0.2 -0.777 35.4-179.1 -80.9 122.2 18.7 -13.8 7.4 72 75 A K E - 0 0 76 -53,-3.2 2,-0.3 -2,-0.5 -52,-0.2 0.741 65.3 -15.2 -89.6 -30.1 21.4 -12.9 4.9 73 76 A A E -A 19 0A 0 -54,-1.3 -54,-3.0 2,-0.0 2,-0.5 -0.898 45.4-148.3-172.1 140.2 20.3 -15.3 2.2 74 77 A M E -Af 18 123A 0 48,-2.5 50,-2.2 -2,-0.3 2,-0.4 -0.985 32.7-152.0-113.6 117.6 18.1 -18.3 1.5 75 78 A A E -Af 17 124A 0 -58,-2.8 -59,-2.4 -2,-0.5 -58,-1.3 -0.770 15.3-169.0-102.0 137.1 19.8 -20.4 -1.3 76 79 A F E -Af 15 125A 0 48,-3.3 50,-1.3 -2,-0.4 2,-0.3 -0.960 21.2-131.4-116.7 134.0 18.2 -22.7 -3.8 77 80 A R E -Af 14 126A 1 -63,-1.8 -64,-3.0 -2,-0.4 -63,-1.0 -0.635 21.8-148.5 -83.7 142.2 20.3 -25.0 -6.0 78 81 A V E -A 12 0A 0 48,-3.2 -66,-0.2 -2,-0.3 6,-0.1 -0.653 19.7-116.8-109.9 166.3 19.5 -25.0 -9.7 79 82 A R S S+ 0 0 86 -68,-1.8 -67,-0.1 -2,-0.2 -1,-0.1 0.821 87.9 8.0 -79.3 -33.2 19.8 -27.8 -12.2 80 83 A T S >> S- 0 0 46 -69,-0.2 3,-0.9 1,-0.1 4,-0.5 -0.945 75.1-104.2-140.2 162.0 22.5 -26.4 -14.6 81 84 A P H >> S+ 0 0 67 0, 0.0 3,-1.9 0, 0.0 4,-0.9 0.918 119.0 58.6 -48.8 -43.3 25.0 -23.5 -14.9 82 85 A E H 3> S+ 0 0 115 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.729 91.6 69.3 -67.2 -21.8 22.7 -21.8 -17.5 83 86 A D H <> S+ 0 0 10 -3,-0.9 4,-2.0 2,-0.2 -1,-0.3 0.713 93.4 57.6 -61.7 -23.3 19.8 -21.8 -14.9 84 87 A V H S+ 0 0 0 -4,-2.4 5,-2.5 2,-0.2 4,-0.3 0.829 111.9 56.3 -73.1 -29.8 14.6 -11.3 -11.9 92 95 A Q H ><5S+ 0 0 109 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.941 106.1 50.4 -64.2 -47.4 15.8 -8.4 -14.1 93 96 A E H 3<5S+ 0 0 95 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.831 107.3 55.7 -58.3 -32.9 12.7 -8.6 -16.1 94 97 A L T 3<5S- 0 0 31 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.561 116.7-117.6 -72.1 -12.1 10.8 -8.5 -12.7 95 98 A G T < 5 + 0 0 71 -3,-2.0 2,-0.3 -4,-0.3 -3,-0.2 0.683 65.9 144.0 80.3 18.1 12.6 -5.2 -11.9 96 99 A C < - 0 0 22 -5,-2.5 -1,-0.3 1,-0.1 21,-0.1 -0.629 56.5-104.3 -90.4 147.0 14.4 -6.7 -8.9 97 100 A R - 0 0 94 19,-0.4 19,-1.5 -2,-0.3 2,-0.3 -0.388 42.8-171.5 -61.8 141.3 17.9 -5.9 -7.8 98 101 A T E -G 115 0A 37 17,-0.2 2,-0.3 -2,-0.1 17,-0.2 -0.979 17.9-168.5-136.6 151.4 20.5 -8.6 -8.6 99 102 A E E -G 114 0A 59 15,-2.2 15,-2.6 -2,-0.3 2,-0.4 -0.970 9.6-164.0-136.4 128.0 24.1 -9.3 -7.8 100 103 A R E -G 113 0A 70 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.931 6.5-177.3-113.8 132.7 26.2 -11.9 -9.7 101 104 A R E > -G 112 0A 114 11,-2.7 11,-2.2 -2,-0.4 3,-1.6 -0.957 16.5-157.8-132.0 114.3 29.5 -13.3 -8.4 102 105 A K T 3 S+ 0 0 165 -2,-0.4 9,-0.4 1,-0.3 -1,-0.1 0.704 98.2 40.8 -61.9 -23.8 31.3 -15.9 -10.5 103 106 A D T 3 S- 0 0 134 1,-0.3 -1,-0.3 7,-0.2 6,-0.2 0.175 117.3-114.1-112.5 12.6 33.2 -17.2 -7.5 104 107 A G < - 0 0 12 -3,-1.6 -1,-0.3 8,-0.2 7,-0.1 0.055 11.3 -97.9 83.6 171.6 30.3 -17.0 -5.1 105 108 A F S S+ 0 0 32 5,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.659 103.7 27.9-100.0 -28.4 29.2 -15.2 -1.9 106 109 A V S > S- 0 0 9 4,-0.2 3,-1.4 3,-0.1 -1,-0.1 -0.901 98.7 -82.9-128.6 163.3 30.3 -17.8 0.6 107 110 A K T 3 S+ 0 0 94 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.339 111.6 30.0 -63.9 144.1 33.0 -20.5 0.6 108 111 A G T 3 S+ 0 0 14 1,-0.3 22,-2.3 21,-0.1 -50,-0.4 0.353 99.0 98.6 90.9 -6.3 32.0 -23.8 -1.2 109 112 A I B < -I 129 0B 9 -3,-1.4 20,-0.3 20,-0.2 -1,-0.3 -0.942 53.1-165.6-111.6 139.2 29.7 -22.1 -3.6 110 113 A G + 0 0 12 18,-2.3 -5,-0.2 -2,-0.4 -7,-0.2 0.229 61.9 4.7 -90.2-143.6 30.7 -21.2 -7.2 111 114 A D S S+ 0 0 25 -9,-0.4 16,-0.9 -8,-0.2 17,-0.4 -0.196 81.9 177.8 -45.9 120.4 28.9 -18.9 -9.8 112 115 A A E -GH 101 126A 0 -11,-2.2 -11,-2.7 14,-0.2 2,-0.5 -0.990 27.5-155.7-140.6 141.1 26.0 -17.5 -7.7 113 116 A L E -GH 100 125A 0 12,-2.5 12,-2.6 -2,-0.3 2,-0.4 -0.979 11.3-171.3-117.4 125.4 23.2 -15.0 -8.1 114 117 A R E -GH 99 124A 10 -15,-2.6 -15,-2.2 -2,-0.5 2,-0.3 -0.941 10.5-177.8-114.1 143.1 21.6 -13.2 -5.2 115 118 A V E -GH 98 123A 0 8,-2.6 8,-1.3 -2,-0.4 2,-0.8 -0.927 35.5-129.2-137.0 157.6 18.4 -11.1 -5.5 116 119 A E E - 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