==== 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 10-MAR-07 2EI1 . COMPND 2 MOLECULE: 1,2-DIHYDROXYNAPHTHALENE DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SP.; . AUTHOR D.B.NEAU,M.S.KELKER,C.L.COLBERT,J.T.BOLIN . 293 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12714.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 195 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 26.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0.3 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 . 18 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.4 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 0 0 1 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 1 1 1 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 . 4 4 1 4 0 0 2 1 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 . 0 0 0 0 0 0 1 0 0 0 0 1 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 5 A A 0 0 74 0, 0.0 2,-0.3 0, 0.0 67,-0.0 0.000 360.0 360.0 360.0 128.9 1.0 14.0 32.2 2 6 A A - 0 0 35 165,-0.1 67,-0.5 185,-0.0 165,-0.2 -0.996 360.0 -91.0-158.3 153.4 3.6 15.6 30.0 3 7 A V E -A 68 0A 2 163,-3.2 65,-0.2 -2,-0.3 3,-0.1 -0.496 34.7-171.7 -62.5 137.2 4.5 18.5 27.7 4 8 A I E - 0 0 63 63,-3.2 2,-0.3 1,-0.3 64,-0.2 0.569 56.3 -5.2-114.0 -16.8 3.6 17.6 24.1 5 9 A E E -A 67 0A 6 62,-0.9 62,-2.5 183,-0.1 2,-1.0 -0.962 65.9-100.0-167.1 158.2 5.0 20.4 22.0 6 10 A L E +A 66 0A 0 138,-0.3 140,-2.6 -2,-0.3 141,-0.2 -0.805 48.0 177.8 -76.2 104.0 6.7 23.8 21.9 7 11 A G E - 0 0 0 58,-2.2 2,-0.3 -2,-1.0 59,-0.2 0.913 51.4 -14.5 -83.6 -47.6 3.4 25.7 21.2 8 12 A Y E -A 65 0A 5 57,-1.7 57,-3.1 -3,-0.2 2,-0.3 -0.955 52.6-151.9-149.7 166.4 4.5 29.3 21.1 9 13 A M E -Ab 64 51A 0 41,-1.9 43,-2.6 -2,-0.3 2,-0.4 -0.990 8.0-147.5-142.0 147.2 7.3 31.7 21.9 10 14 A G E +Ab 63 52A 0 53,-2.8 52,-3.3 -2,-0.3 53,-1.7 -0.955 19.2 176.6-111.0 137.4 7.5 35.3 22.8 11 15 A I E -Ab 61 53A 0 41,-2.7 43,-3.1 -2,-0.4 2,-0.4 -0.904 19.2-141.3-128.3 158.9 10.4 37.5 21.9 12 16 A S E -Ab 60 54A 2 48,-2.6 48,-1.1 -2,-0.3 2,-0.3 -0.981 20.8-169.8-122.5 145.4 11.0 41.2 22.3 13 17 A V E - b 0 55A 0 41,-2.6 43,-0.9 -2,-0.4 44,-0.7 -0.928 30.0-148.2-134.9 151.3 12.7 43.4 19.7 14 18 A K S S+ 0 0 148 -2,-0.3 -1,-0.1 1,-0.2 41,-0.1 0.696 97.7 41.4 -86.6 -21.9 14.2 46.9 19.3 15 19 A D > + 0 0 85 1,-0.1 4,-1.8 2,-0.1 -1,-0.2 -0.733 60.0 171.6-131.0 81.5 13.2 47.2 15.6 16 20 A P H > S+ 0 0 27 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.863 80.0 55.0 -61.0 -37.2 9.8 45.9 14.9 17 21 A D H > S+ 0 0 115 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.912 108.8 48.2 -61.9 -42.8 9.7 47.2 11.3 18 22 A A H > S+ 0 0 32 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.868 111.0 52.7 -62.9 -37.2 13.0 45.4 10.5 19 23 A W H X S+ 0 0 9 -4,-1.8 4,-2.9 2,-0.2 5,-0.3 0.884 106.1 52.2 -68.1 -37.8 11.5 42.3 12.0 20 24 A K H X S+ 0 0 54 -4,-2.3 4,-2.1 2,-0.2 5,-0.3 0.951 114.2 42.7 -61.4 -47.6 8.3 42.4 9.9 21 25 A S H X>S+ 0 0 67 -4,-2.0 4,-2.5 2,-0.2 5,-0.6 0.907 116.5 48.5 -65.3 -43.7 10.4 42.7 6.7 22 26 A F H X>S+ 0 0 15 -4,-2.6 4,-1.6 3,-0.2 5,-1.0 0.945 112.3 47.3 -58.7 -52.0 12.9 40.0 7.9 23 27 A A H <>S+ 0 0 0 -4,-2.9 6,-2.2 3,-0.2 5,-0.8 0.904 121.0 36.6 -62.5 -41.5 10.2 37.5 8.9 24 28 A T H X5S+ 0 0 25 -4,-2.1 4,-0.9 -5,-0.3 -2,-0.2 0.970 126.6 31.2 -76.4 -55.4 8.2 37.9 5.7 25 29 A D H <5S+ 0 0 76 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.896 127.9 36.1 -74.2 -43.7 10.8 38.3 3.0 26 30 A M T < S- 0 0 11 49,-0.1 4,-2.2 1,-0.1 3,-0.3 -0.923 74.3 -62.2-165.4-172.8 -5.7 19.3 28.4 71 75 A K H > S+ 0 0 111 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.866 122.2 55.6 -57.0 -43.2 -6.8 20.4 31.8 72 76 A P H > S+ 0 0 92 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.909 112.2 43.3 -60.0 -39.6 -6.1 17.1 33.6 73 77 A E H > S+ 0 0 63 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.845 112.3 54.2 -71.5 -35.8 -2.5 17.0 32.4 74 78 A F H X S+ 0 0 14 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.942 112.1 43.6 -58.9 -50.0 -2.1 20.8 33.2 75 79 A E H X S+ 0 0 120 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.902 114.6 49.4 -66.6 -41.2 -3.3 20.2 36.8 76 80 A A H X S+ 0 0 50 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.924 112.4 46.5 -65.1 -45.0 -1.1 17.0 37.2 77 81 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.882 109.4 55.5 -66.0 -37.3 2.0 18.7 36.0 78 82 A G H X S+ 0 0 4 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.935 110.9 44.3 -58.3 -46.1 1.4 21.7 38.1 79 83 A Q H X S+ 0 0 101 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.873 110.4 55.2 -68.8 -37.8 1.3 19.5 41.2 80 84 A K H X S+ 0 0 95 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.910 109.3 47.3 -58.5 -44.8 4.3 17.5 40.1 81 85 A L H <>S+ 0 0 0 -4,-2.4 5,-2.4 2,-0.2 4,-0.3 0.893 113.5 48.1 -64.8 -42.6 6.4 20.8 39.9 82 86 A I H ><5S+ 0 0 85 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.934 110.5 51.0 -62.2 -48.8 5.1 21.9 43.3 83 87 A D H 3<5S+ 0 0 121 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.803 108.1 53.4 -60.4 -31.7 5.9 18.6 44.9 84 88 A A T 3<5S- 0 0 47 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.489 124.0-103.1 -84.6 -3.8 9.5 18.7 43.4 85 89 A G T < 5S+ 0 0 41 -3,-1.5 -3,-0.2 -4,-0.3 2,-0.1 0.455 73.6 138.2 99.4 3.2 10.1 22.1 45.0 86 90 A Y < - 0 0 39 -5,-2.4 2,-0.6 -6,-0.2 -1,-0.3 -0.487 52.7-121.4 -80.6 151.8 9.7 24.4 41.9 87 91 A K + 0 0 175 21,-0.2 21,-0.4 -2,-0.1 2,-0.3 -0.850 38.5 169.0 -97.6 120.0 7.8 27.7 42.1 88 92 A I - 0 0 35 -2,-0.6 2,-0.4 19,-0.1 19,-0.2 -0.870 23.1-151.4-125.0 159.4 4.8 28.1 39.8 89 93 A R E -F 106 0A 120 17,-1.9 17,-2.7 -2,-0.3 2,-0.5 -0.980 12.7-142.7-131.9 122.3 2.0 30.5 39.5 90 94 A I E -F 105 0A 100 -2,-0.4 15,-0.2 15,-0.2 2,-0.1 -0.746 30.0-132.2 -79.6 122.9 -1.4 29.5 38.0 91 95 A C - 0 0 17 13,-2.5 13,-0.4 -2,-0.5 2,-0.1 -0.426 10.5-123.6 -82.4 150.5 -2.6 32.5 36.0 92 96 A D > - 0 0 97 -2,-0.1 4,-2.2 11,-0.1 5,-0.2 -0.227 39.4 -88.0 -80.8 178.1 -6.1 34.1 36.1 93 97 A K H > S+ 0 0 171 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.852 123.8 54.7 -58.4 -42.6 -8.4 34.5 33.1 94 98 A V H > S+ 0 0 112 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.937 111.5 44.8 -57.1 -48.4 -7.0 37.9 32.0 95 99 A E H > S+ 0 0 33 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.874 113.2 50.1 -66.0 -39.4 -3.4 36.5 31.8 96 100 A A H X>S+ 0 0 8 -4,-2.2 5,-2.1 1,-0.2 4,-0.6 0.901 109.7 52.2 -63.9 -40.3 -4.6 33.4 30.0 97 101 A Q H ><5S+ 0 0 136 -4,-2.7 3,-0.6 1,-0.2 -2,-0.2 0.833 100.4 61.6 -65.4 -32.2 -6.5 35.5 27.5 98 102 A E H 3<5S+ 0 0 69 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.923 111.7 38.5 -58.3 -44.5 -3.4 37.6 26.8 99 103 A R H 3<5S- 0 0 20 -4,-1.3 -1,-0.3 -3,-0.1 -2,-0.2 0.509 112.9-123.3 -81.4 -6.5 -1.7 34.4 25.5 100 104 A M T <<5 + 0 0 40 -4,-0.6 22,-1.0 -3,-0.6 2,-0.3 0.909 68.0 127.1 59.4 49.6 -5.0 33.2 23.9 101 105 A V E < - G 0 121A 11 -5,-2.1 -1,-0.2 20,-0.2 19,-0.2 -0.894 66.9-127.6-130.4 159.2 -5.1 29.9 25.8 102 106 A L E S+ 0 0 120 17,-1.2 2,-0.3 18,-0.9 18,-0.2 0.820 95.1 12.5 -77.6 -31.7 -7.7 28.2 28.0 103 107 A G E - G 0 119A 10 16,-1.7 16,-1.7 -7,-0.1 2,-0.3 -0.994 69.6-177.0-148.7 144.0 -5.3 27.6 30.9 104 108 A L E - G 0 118A 2 -13,-0.4 -13,-2.5 -2,-0.3 2,-0.3 -1.000 9.5-178.7-146.5 136.2 -1.9 29.0 31.8 105 109 A M E -FG 90 117A 1 12,-2.3 12,-2.2 -2,-0.3 2,-0.4 -0.977 15.9-148.1-131.4 150.8 0.8 28.7 34.4 106 110 A K E +FG 89 116A 38 -17,-2.7 -17,-1.9 -2,-0.3 2,-0.2 -0.942 29.0 138.3-122.1 140.2 4.1 30.6 34.6 107 111 A T E - G 0 115A 22 8,-2.7 8,-2.5 -2,-0.4 2,-0.4 -0.794 41.3-111.4-153.7-167.3 7.5 29.5 36.0 108 112 A E E - G 0 114A 113 -21,-0.4 -21,-0.2 6,-0.3 -2,-0.0 -0.997 23.3-125.5-140.3 137.3 11.2 29.7 35.2 109 113 A D > - 0 0 3 4,-2.4 3,-2.2 -2,-0.4 50,-0.1 -0.257 42.1 -93.9 -73.9 170.0 13.6 27.0 34.1 110 114 A P T 3 S+ 0 0 42 0, 0.0 49,-0.1 0, 0.0 -1,-0.1 0.686 126.1 56.3 -63.2 -17.1 16.8 26.5 36.1 111 115 A G T 3 S- 0 0 12 41,-0.2 41,-0.1 2,-0.1 45,-0.0 0.381 123.1-102.6 -89.4 1.2 18.7 28.7 33.7 112 116 A G S < S+ 0 0 19 -3,-2.2 41,-0.1 1,-0.3 92,-0.1 0.541 71.5 147.0 91.3 9.9 16.3 31.6 34.3 113 117 A N - 0 0 0 39,-0.2 -4,-2.4 91,-0.1 -1,-0.3 -0.686 55.5-115.3 -84.1 120.6 14.4 31.3 31.1 114 118 A P E - G 0 108A 29 0, 0.0 -50,-1.8 0, 0.0 2,-0.4 -0.354 38.6-166.0 -59.3 130.1 10.7 32.2 31.5 115 119 A T E -eG 64 107A 1 -8,-2.5 -8,-2.7 -52,-0.2 2,-0.4 -0.973 10.2-168.1-130.1 126.7 8.7 29.1 31.0 116 120 A E E -eG 65 106A 7 -52,-3.1 -50,-3.1 -2,-0.4 2,-0.4 -0.919 4.8-162.6-118.4 142.3 4.9 28.8 30.4 117 121 A I E +eG 66 105A 0 -12,-2.2 -12,-2.3 -2,-0.4 2,-0.3 -0.992 25.2 160.0-123.5 130.0 2.8 25.7 30.5 118 122 A F E -eG 67 104A 1 -52,-2.3 -50,-2.5 -2,-0.4 2,-0.3 -0.937 28.4-150.4-144.2 163.9 -0.6 25.9 28.9 119 123 A W E + G 0 103A 50 -16,-1.7 -16,-1.7 -2,-0.3 -17,-1.2 -0.974 68.2 35.8-133.2 155.0 -3.5 24.0 27.4 120 124 A G E - 0 0 15 -52,-0.5 -18,-0.9 -2,-0.3 -1,-0.2 0.987 64.7-160.1 76.3 65.1 -6.0 24.9 24.8 121 125 A P E - G 0 101A 20 0, 0.0 2,-0.5 0, 0.0 -20,-0.2 -0.362 25.5-107.8 -69.6 155.7 -4.4 27.1 22.1 122 126 A R - 0 0 115 -22,-1.0 -74,-2.4 -73,-0.1 2,-0.5 -0.761 34.6-165.6 -84.1 122.7 -6.6 29.3 19.8 123 127 A I B -H 47 0B 65 -2,-0.5 2,-1.2 -76,-0.3 -76,-0.3 -0.955 12.6-153.3-113.2 123.9 -6.7 27.8 16.3 124 128 A D > + 0 0 20 -78,-2.6 3,-1.9 -2,-0.5 -2,-0.0 -0.624 25.2 164.8 -98.3 75.8 -8.0 30.0 13.5 125 129 A M T 3 S+ 0 0 118 -2,-1.2 -1,-0.2 1,-0.3 -78,-0.1 0.745 75.4 60.8 -60.3 -25.3 -9.3 27.4 11.1 126 130 A S T 3 S+ 0 0 116 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.622 102.6 55.7 -73.4 -15.3 -11.2 30.1 9.3 127 131 A N S < S- 0 0 61 -3,-1.9 -1,-0.2 -81,-0.2 -3,-0.2 -0.751 79.9-157.1-125.1 81.4 -7.9 31.9 8.5 128 132 A P - 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