==== 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 17-JAN-08 3BZA . 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) . 44369.0 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 . 340 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 . 3 0.2 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 . 92 6.4 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 . 175 12.2 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 4 0 4 0 2 5 1 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 4 A E 0 0 182 0, 0.0 161,-0.1 0, 0.0 162,-0.1 0.000 360.0 360.0 360.0 137.2 0.0 -67.5 8.6 2 5 A I - 0 0 9 160,-0.3 92,-0.0 1,-0.0 0, 0.0 -0.791 360.0-126.3 -89.2 120.9 3.5 -66.4 9.7 3 6 A P - 0 0 82 0, 0.0 -1,-0.0 0, 0.0 166,-0.0 -0.280 16.8-112.5 -70.0 154.9 3.6 -65.8 13.4 4 7 A K - 0 0 143 1,-0.0 162,-0.0 2,-0.0 161,-0.0 -0.798 38.6-125.9 -84.1 116.3 4.7 -62.6 15.0 5 8 A P - 0 0 10 0, 0.0 4,-0.1 0, 0.0 85,-0.1 -0.181 2.6-136.6 -59.0 154.0 8.0 -63.3 16.9 6 9 A V S S+ 0 0 135 2,-0.1 3,-0.1 84,-0.1 84,-0.1 0.876 86.9 87.6 -74.1 -39.5 8.3 -62.4 20.5 7 10 A A S S- 0 0 22 82,-0.2 2,-0.0 1,-0.1 79,-0.0 -0.293 93.7-103.0 -57.7 139.2 11.8 -61.0 19.6 8 11 A P - 0 0 78 0, 0.0 82,-0.2 0, 0.0 -1,-0.1 -0.320 34.5-109.0 -68.6 147.6 11.8 -57.4 18.5 9 12 A A - 0 0 32 160,-0.2 2,-0.1 -4,-0.1 78,-0.1 -0.452 36.2-105.2 -69.3 148.3 12.1 -56.5 14.8 10 13 A P - 0 0 3 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 -0.497 37.2-108.8 -67.6 143.7 15.3 -54.9 13.7 11 14 A D - 0 0 49 -2,-0.1 68,-2.4 69,-0.1 2,-0.5 -0.696 39.6-156.7 -76.0 102.7 14.9 -51.2 13.0 12 15 A I E -A 78 0A 2 -2,-1.0 66,-0.3 158,-0.3 3,-0.1 -0.738 14.5-170.9 -87.6 128.6 15.1 -51.1 9.2 13 16 A L E - 0 0 9 64,-2.9 2,-0.3 -2,-0.5 65,-0.2 0.908 55.2 -56.3 -78.1 -50.7 16.1 -47.8 7.6 14 17 A R E -A 77 0A 9 63,-1.1 63,-1.9 178,-0.1 -1,-0.3 -0.965 64.0 -62.7 180.0 162.3 15.6 -48.4 3.9 15 18 A C E +A 76 0A 0 136,-0.3 61,-0.3 -2,-0.3 135,-0.1 -0.489 50.7 176.7 -60.8 143.5 16.3 -50.5 1.0 16 19 A A E - 0 0 0 59,-2.9 2,-0.3 1,-0.4 60,-0.2 0.681 47.4 -23.5-124.3 -46.1 20.1 -50.2 0.4 17 20 A Y E -A 75 0A 0 58,-1.4 58,-3.1 34,-0.0 -1,-0.4 -0.983 45.0-136.7-162.4 161.5 21.4 -52.4 -2.5 18 21 A A E -Ab 74 61A 0 42,-1.5 44,-2.6 -2,-0.3 2,-0.6 -0.964 11.3-145.8-120.5 145.2 20.7 -55.5 -4.5 19 22 A E E -Ab 73 62A 2 54,-3.0 53,-2.6 -2,-0.4 54,-1.6 -0.966 22.6-172.6-105.9 116.8 23.2 -58.2 -5.6 20 23 A L E -Ab 71 63A 1 42,-2.7 44,-2.8 -2,-0.6 2,-0.5 -0.945 19.8-137.0-109.4 130.1 22.2 -59.5 -9.0 21 24 A V E -Ab 70 64A 8 49,-3.2 49,-1.2 -2,-0.5 2,-0.3 -0.755 27.7-173.0 -81.4 129.7 23.9 -62.5 -10.6 22 25 A V E - b 0 65A 0 42,-2.5 44,-2.0 -2,-0.5 3,-0.2 -0.910 24.5-142.5-125.5 152.9 24.6 -61.8 -14.3 23 26 A T S S+ 0 0 63 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.764 92.2 33.3 -91.9 -28.8 25.9 -64.1 -17.0 24 27 A D > - 0 0 66 1,-0.1 4,-2.3 41,-0.0 -1,-0.3 -0.893 65.7-168.2-131.6 102.0 28.1 -61.8 -19.0 25 28 A L H > S+ 0 0 18 -2,-0.4 4,-2.6 1,-0.2 -1,-0.1 0.868 86.8 52.5 -60.4 -41.1 29.8 -59.1 -16.8 26 29 A A H > S+ 0 0 63 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.887 110.7 47.1 -61.8 -42.1 31.0 -57.0 -19.8 27 30 A K H > S+ 0 0 128 -3,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.898 112.6 49.5 -68.8 -39.0 27.5 -56.8 -21.4 28 31 A S H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.906 108.8 53.8 -65.0 -40.0 25.9 -56.0 -18.0 29 32 A R H X>S+ 0 0 68 -4,-2.6 4,-3.0 1,-0.2 5,-1.1 0.939 105.2 53.4 -57.4 -47.7 28.6 -53.2 -17.5 30 33 A N H <>S+ 0 0 86 -4,-2.2 5,-2.2 3,-0.2 -1,-0.2 0.897 114.2 43.3 -54.1 -43.5 27.7 -51.7 -20.9 31 34 A F H <>S+ 0 0 13 -4,-1.6 5,-2.4 3,-0.2 -2,-0.2 0.965 121.6 34.8 -67.6 -53.6 24.0 -51.6 -19.8 32 35 A Y H <5S+ 0 0 0 -4,-2.9 6,-2.2 3,-0.2 -2,-0.2 0.809 132.6 25.7 -79.5 -31.5 24.4 -50.3 -16.3 33 36 A V T X5S+ 0 0 24 -4,-3.0 4,-1.1 -5,-0.3 -3,-0.2 0.893 129.9 33.2 -96.2 -56.5 27.4 -48.0 -16.8 34 37 A D T 4 - 0 0 0 -2,-0.3 3,-1.2 -14,-0.2 83,-0.3 -0.294 41.5 -95.3 -83.7 170.0 23.6 -43.8 -7.7 53 56 A F T 3 S+ 0 0 0 94,-2.6 82,-0.4 1,-0.3 85,-0.2 0.804 120.7 35.4 -57.0 -35.1 24.4 -40.0 -8.0 54 57 A E T 3 S+ 0 0 3 94,-2.0 -1,-0.3 81,-0.2 2,-0.1 0.373 89.6 119.0-107.7 4.5 23.5 -39.1 -4.4 55 58 A E < + 0 0 8 -3,-1.2 80,-0.6 1,-0.1 81,-0.1 -0.430 33.6 178.9 -74.0 143.2 24.6 -42.2 -2.5 56 59 A F + 0 0 0 78,-0.2 76,-2.5 -2,-0.1 -1,-0.1 0.561 59.3 88.1-113.7 -18.7 27.2 -42.2 0.2 57 60 A I S S- 0 0 0 74,-0.2 74,-0.2 1,-0.1 52,-0.1 -0.344 99.1 -94.7 -73.9 168.4 27.2 -45.9 1.2 58 61 A H S S- 0 0 18 50,-0.5 2,-0.3 72,-0.2 -1,-0.1 0.847 91.3 -16.9 -60.2 -37.8 29.5 -48.1 -0.9 59 62 A H - 0 0 0 49,-0.1 -8,-0.3 1,-0.1 -1,-0.1 -0.990 32.2-156.0-161.5 160.7 27.0 -49.2 -3.5 60 63 A N S S+ 0 0 0 -10,-3.3 -42,-1.5 1,-0.3 2,-0.3 0.424 90.6 30.3-112.4 -13.4 23.3 -49.7 -4.5 61 64 A L E -bD 18 50A 0 -11,-2.0 -11,-3.2 -44,-0.3 2,-0.5 -0.978 59.4-166.7-152.3 129.2 23.9 -52.5 -6.9 62 65 A V E -bD 19 49A 0 -44,-2.6 -42,-2.7 -2,-0.3 2,-0.6 -0.989 10.0-157.5-117.5 122.7 26.4 -55.3 -7.1 63 66 A L E -bD 20 48A 0 -15,-3.0 -15,-2.0 -2,-0.5 2,-0.5 -0.907 13.9-169.4 -98.6 122.3 26.7 -57.3 -10.4 64 67 A T E -bD 21 47A 15 -44,-2.8 -42,-2.5 -2,-0.6 -17,-0.2 -0.950 21.9-123.5-118.1 123.2 28.2 -60.7 -9.7 65 68 A K E +b 22 0A 113 -19,-3.1 -42,-0.2 -2,-0.5 -41,-0.0 -0.409 49.5 144.2 -62.9 136.2 29.3 -63.0 -12.6 66 69 A G - 0 0 14 -44,-2.0 3,-0.1 -2,-0.1 -41,-0.0 -0.986 59.1-103.5-165.7 171.3 27.6 -66.4 -12.4 67 70 A P S S+ 0 0 128 0, 0.0 2,-0.4 0, 0.0 -44,-0.1 0.786 105.0 37.0 -76.1 -27.4 26.0 -69.3 -14.3 68 71 A V S S- 0 0 57 -46,-0.1 -47,-0.1 -3,-0.0 2,-0.1 -0.979 84.2-125.0-132.1 118.1 22.4 -68.5 -13.8 69 72 A A + 0 0 19 -2,-0.4 238,-0.4 -3,-0.1 2,-0.3 -0.393 56.1 126.6 -61.3 131.8 21.0 -64.9 -13.7 70 73 A A E -A 21 0A 0 -49,-1.2 -49,-3.2 236,-0.1 2,-0.5 -0.972 65.2 -79.7-172.0 163.6 19.1 -64.4 -10.5 71 74 A L E -Ae 20 308A 0 236,-3.0 238,-2.9 -2,-0.3 -51,-0.2 -0.728 36.2-179.8 -75.4 124.7 18.7 -62.3 -7.4 72 75 A K E - 0 0 79 -53,-2.6 2,-0.3 -2,-0.5 -52,-0.2 0.780 66.4 -8.9 -90.9 -35.9 21.4 -63.2 -4.9 73 76 A A E -A 19 0A 0 -54,-1.6 -54,-3.0 41,-0.0 2,-0.5 -0.928 46.2-153.1-163.4 139.6 20.4 -60.7 -2.1 74 77 A M E -Af 18 123A 0 48,-2.6 50,-2.5 -2,-0.3 2,-0.4 -0.986 33.0-154.4-108.9 119.6 18.1 -57.8 -1.5 75 78 A A E -Af 17 124A 0 -58,-3.1 -59,-2.9 -2,-0.5 -58,-1.4 -0.826 16.5-170.5-109.1 137.7 19.7 -55.7 1.2 76 79 A F E -Af 15 125A 0 48,-2.9 50,-1.4 -2,-0.4 2,-0.4 -0.956 22.0-131.2-118.4 132.9 18.2 -53.3 3.8 77 80 A R E -Af 14 126A 0 -63,-1.9 -64,-2.9 -2,-0.4 -63,-1.1 -0.711 22.3-149.9 -82.3 138.4 20.3 -51.1 6.0 78 81 A V E -A 12 0A 0 48,-2.8 -66,-0.2 -2,-0.4 6,-0.1 -0.589 21.1-112.8-105.7 165.9 19.4 -51.1 9.7 79 82 A R S S+ 0 0 102 -68,-2.4 -67,-0.1 -2,-0.2 -1,-0.1 0.861 88.4 8.6 -73.1 -38.1 19.7 -48.3 12.2 80 83 A T S >> S- 0 0 36 -69,-0.2 3,-1.4 1,-0.1 4,-0.5 -0.912 75.0-105.6-137.7 160.8 22.5 -49.6 14.5 81 84 A P H >> S+ 0 0 66 0, 0.0 3,-1.9 0, 0.0 4,-0.8 0.911 119.7 61.6 -51.3 -42.0 25.0 -52.5 14.7 82 85 A E H 3> S+ 0 0 110 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.718 90.9 68.4 -56.8 -25.8 22.7 -54.0 17.5 83 86 A D H <> S+ 0 0 7 -3,-1.4 4,-2.2 2,-0.2 -1,-0.3 0.747 91.6 59.1 -70.6 -22.2 19.9 -54.2 14.9 84 87 A V H S+ 0 0 0 -4,-2.5 5,-2.7 2,-0.2 4,-0.4 0.805 112.6 56.3 -72.3 -29.3 14.6 -64.7 11.8 92 95 A Q H ><5S+ 0 0 109 -4,-2.2 3,-1.7 -5,-0.2 -1,-0.2 0.946 107.2 49.3 -64.6 -46.3 15.9 -67.6 14.0 93 96 A E H 3<5S+ 0 0 95 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.859 107.0 56.5 -59.8 -34.8 12.6 -67.4 16.0 94 97 A L T 3<5S- 0 0 32 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.613 117.7-117.6 -68.2 -12.3 10.8 -67.5 12.6 95 98 A G T < 5 + 0 0 71 -3,-1.7 2,-0.2 -4,-0.4 -3,-0.2 0.702 63.8 148.5 80.3 23.1 12.7 -70.8 11.9 96 99 A C < - 0 0 22 -5,-2.7 -1,-0.3 1,-0.1 2,-0.3 -0.615 55.3-105.1 -92.0 148.0 14.5 -69.3 8.9 97 100 A R - 0 0 86 19,-0.4 19,-2.2 -2,-0.2 2,-0.3 -0.545 45.8-174.9 -64.1 131.6 17.9 -70.2 7.6 98 101 A T E -G 115 0A 30 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.918 18.3-166.8-129.6 156.0 20.4 -67.5 8.5 99 102 A E E -G 114 0A 72 15,-2.3 15,-2.9 -2,-0.3 2,-0.4 -0.950 8.7-163.8-142.4 125.1 24.1 -66.8 7.8 100 103 A R E -G 113 0A 71 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.937 7.7-179.4-115.7 128.3 26.1 -64.2 9.7 101 104 A R E > -G 112 0A 129 11,-2.5 11,-2.1 -2,-0.4 3,-1.7 -0.968 18.3-157.6-130.3 114.5 29.5 -62.8 8.5 102 105 A K T 3 S+ 0 0 157 -2,-0.4 9,-0.4 1,-0.3 -1,-0.1 0.696 98.5 42.7 -62.1 -21.7 31.3 -60.2 10.6 103 106 A D T 3 S- 0 0 128 1,-0.2 -1,-0.3 7,-0.2 6,-0.2 0.199 116.1-112.4-113.0 12.5 33.2 -59.0 7.5 104 107 A G < - 0 0 13 -3,-1.7 -1,-0.2 8,-0.2 7,-0.1 0.117 10.2-102.4 86.3 164.2 30.3 -59.0 5.0 105 108 A F S S+ 0 0 38 5,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.592 102.7 29.4 -97.2 -22.6 29.3 -61.0 2.0 106 109 A V S > S- 0 0 9 4,-0.2 3,-1.4 3,-0.2 -1,-0.1 -0.952 98.4 -82.1-134.7 158.8 30.3 -58.3 -0.6 107 110 A K T 3 S+ 0 0 92 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.272 111.8 26.9 -58.0 142.1 33.0 -55.6 -0.6 108 111 A G T 3 S+ 0 0 14 1,-0.2 22,-2.1 21,-0.1 -50,-0.5 0.465 100.0 97.7 84.5 4.0 32.1 -52.4 1.2 109 112 A I B < -I 129 0B 8 -3,-1.4 20,-0.3 20,-0.2 -1,-0.2 -0.982 52.7-167.1-121.5 137.5 29.7 -54.0 3.6 110 113 A G + 0 0 14 18,-2.7 -5,-0.2 -2,-0.4 -7,-0.2 0.302 60.9 7.1 -94.6-138.9 30.7 -55.0 7.2 111 114 A D S S+ 0 0 24 -9,-0.4 16,-0.8 -8,-0.2 17,-0.4 -0.194 80.6 172.9 -51.0 125.9 28.9 -57.2 9.7 112 115 A A E -GH 101 126A 0 -11,-2.1 -11,-2.5 14,-0.2 2,-0.5 -0.991 30.1-152.5-145.8 145.5 25.9 -58.6 7.8 113 116 A L E -GH 100 125A 0 12,-2.6 12,-2.6 -2,-0.3 2,-0.4 -0.983 12.4-169.5-118.7 124.4 23.1 -61.2 8.2 114 117 A R E -GH 99 124A 8 -15,-2.9 -15,-2.3 -2,-0.5 2,-0.3 -0.926 11.7-177.5-110.5 143.1 21.6 -62.9 5.2 115 118 A V E -GH 98 123A 0 8,-2.6 8,-1.3 -2,-0.4 2,-0.8 -0.959 35.9-128.6-136.4 151.5 18.5 -65.0 5.5 116 119 A E E - 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