==== 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 2EHZ . 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 . 299 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13291.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 25.4 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 . 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 . 20 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.3 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 2 0 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 . 5 4 2 3 1 0 1 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 4 A Q 0 0 246 0, 0.0 2,-0.2 0, 0.0 73,-0.1 0.000 360.0 360.0 360.0 136.5 1.6 10.1 32.5 2 5 A A + 0 0 24 71,-0.1 2,-0.3 72,-0.1 67,-0.0 -0.447 360.0 156.3 -67.7 132.6 1.1 13.9 32.2 3 6 A A - 0 0 27 -2,-0.2 67,-0.5 165,-0.1 165,-0.2 -0.996 49.6 -93.2-155.2 153.6 3.6 15.5 30.0 4 7 A V E -A 69 0A 2 163,-3.1 65,-0.3 -2,-0.3 3,-0.1 -0.510 35.4-170.9 -61.4 137.4 4.5 18.5 27.8 5 8 A I E - 0 0 59 63,-3.2 2,-0.3 1,-0.3 64,-0.2 0.579 55.3 -7.1-113.7 -17.7 3.5 17.6 24.2 6 9 A E E -A 68 0A 7 62,-0.9 62,-2.5 187,-0.1 2,-1.0 -0.963 65.1 -99.5-167.1 158.6 4.9 20.4 22.1 7 10 A L E +A 67 0A 0 138,-0.3 140,-2.6 -2,-0.3 141,-0.2 -0.803 49.0 177.0 -76.0 103.8 6.6 23.8 21.9 8 11 A G E - 0 0 0 58,-2.1 2,-0.3 -2,-1.0 -1,-0.2 0.928 51.8 -16.9 -84.3 -50.3 3.3 25.6 21.3 9 12 A Y E -A 66 0A 5 57,-1.6 57,-3.1 -3,-0.2 2,-0.3 -0.935 55.1-158.1-147.2 170.0 4.3 29.3 21.1 10 13 A M E -Ab 65 52A 0 41,-1.8 43,-2.7 -2,-0.3 2,-0.4 -0.982 9.7-140.9-149.3 158.3 7.1 31.6 22.1 11 14 A G E +Ab 64 53A 0 53,-2.8 52,-3.1 -2,-0.3 53,-1.7 -0.967 17.8 179.3-121.0 138.9 7.5 35.3 22.8 12 15 A I E -Ab 62 54A 2 41,-2.8 43,-3.1 -2,-0.4 2,-0.4 -0.916 18.3-140.4-127.6 157.1 10.4 37.5 21.9 13 16 A S E -Ab 61 55A 3 48,-2.6 48,-1.1 -2,-0.3 47,-0.4 -0.977 21.8-171.1-119.2 142.8 11.1 41.2 22.4 14 17 A V - 0 0 0 41,-2.6 44,-1.9 -2,-0.4 244,-0.1 -0.911 30.1-149.0-132.7 152.3 12.8 43.3 19.7 15 18 A K S S+ 0 0 146 -2,-0.3 42,-0.2 1,-0.2 -1,-0.1 0.678 97.2 42.9 -89.4 -21.8 14.2 46.8 19.4 16 19 A D > + 0 0 85 1,-0.1 4,-2.0 40,-0.1 -1,-0.2 -0.733 59.8 172.1-129.7 82.1 13.3 47.1 15.7 17 20 A P H > S+ 0 0 27 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.872 80.9 53.6 -59.0 -38.3 9.8 45.8 14.9 18 21 A D H > S+ 0 0 114 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.906 108.8 48.5 -64.6 -41.6 9.7 47.1 11.3 19 22 A A H > S+ 0 0 32 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.885 111.0 52.8 -63.0 -38.4 13.0 45.3 10.5 20 23 A W H X S+ 0 0 8 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.877 105.8 52.5 -65.9 -37.9 11.5 42.2 12.1 21 24 A K H X S+ 0 0 51 -4,-2.2 4,-2.1 2,-0.2 5,-0.3 0.944 113.7 42.9 -62.5 -46.6 8.4 42.3 9.9 22 25 A S H X>S+ 0 0 67 -4,-2.0 4,-2.4 2,-0.2 5,-0.7 0.901 116.2 48.6 -66.1 -41.8 10.5 42.6 6.7 23 26 A F H X>S+ 0 0 15 -4,-2.5 4,-1.5 3,-0.2 5,-1.1 0.952 112.7 47.0 -60.2 -52.5 12.9 39.9 7.9 24 27 A A H <>S+ 0 0 0 -4,-2.8 6,-2.2 3,-0.2 5,-0.7 0.894 121.4 36.0 -61.3 -41.7 10.2 37.4 8.9 25 28 A T H X5S+ 0 0 25 -4,-2.1 4,-0.8 4,-0.2 -2,-0.2 0.961 127.4 31.0 -78.3 -53.8 8.2 37.8 5.7 26 29 A D H <5S+ 0 0 74 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.912 128.5 35.4 -75.7 -45.1 10.9 38.2 3.0 27 30 A M T < S- 0 0 12 49,-0.1 4,-2.2 50,-0.1 3,-0.3 -0.920 74.9 -61.0-166.3-172.1 -5.7 19.2 28.5 72 75 A K H > S+ 0 0 111 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.856 122.4 55.7 -57.6 -42.3 -6.8 20.4 31.9 73 76 A P H > S+ 0 0 89 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.913 112.1 43.1 -60.8 -39.0 -6.1 17.1 33.7 74 77 A E H > S+ 0 0 62 -3,-0.3 4,-2.6 2,-0.2 5,-0.2 0.862 112.2 54.7 -72.3 -36.2 -2.5 17.0 32.5 75 78 A F H X S+ 0 0 18 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.944 112.4 42.9 -57.1 -51.4 -2.1 20.7 33.3 76 79 A E H X S+ 0 0 122 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.902 114.3 50.3 -66.0 -42.0 -3.2 20.1 36.9 77 80 A A H X S+ 0 0 51 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.912 113.3 45.2 -63.2 -43.3 -1.2 17.0 37.3 78 81 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.890 110.4 54.6 -69.6 -39.1 2.0 18.7 36.1 79 82 A G H X S+ 0 0 6 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.933 111.2 44.8 -56.6 -47.9 1.4 21.8 38.2 80 83 A Q H X S+ 0 0 99 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.862 110.1 55.5 -66.4 -36.3 1.1 19.6 41.3 81 84 A K H X S+ 0 0 95 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.911 108.8 47.6 -61.2 -44.7 4.2 17.6 40.3 82 85 A L H <>S+ 0 0 0 -4,-2.4 5,-2.4 2,-0.2 4,-0.3 0.910 113.2 48.1 -62.0 -44.5 6.3 20.9 40.0 83 86 A I H ><5S+ 0 0 78 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.938 110.4 51.2 -62.0 -48.0 5.0 22.0 43.4 84 87 A D H 3<5S+ 0 0 120 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.813 108.2 52.9 -59.8 -32.9 5.8 18.7 45.1 85 88 A A T 3<5S- 0 0 48 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.456 123.3-104.3 -84.8 -2.7 9.3 18.7 43.7 86 89 A G T < 5S+ 0 0 49 -3,-1.6 -3,-0.2 -4,-0.3 2,-0.2 0.540 71.2 142.2 94.5 9.0 9.9 22.2 45.2 87 90 A Y < - 0 0 47 -5,-2.4 2,-0.6 -6,-0.2 -1,-0.3 -0.554 51.5-120.9 -81.2 148.0 9.6 24.4 42.0 88 91 A K + 0 0 167 -2,-0.2 21,-0.4 21,-0.2 2,-0.3 -0.807 40.8 167.2 -91.9 120.1 7.9 27.8 42.2 89 92 A I - 0 0 34 -2,-0.6 2,-0.4 19,-0.1 19,-0.2 -0.902 25.0-149.6-127.4 158.2 5.0 28.2 39.9 90 93 A R E -F 107 0A 120 17,-2.0 17,-2.6 -2,-0.3 2,-0.5 -0.993 12.4-142.6-128.4 126.5 2.1 30.6 39.5 91 94 A I E -F 106 0A 118 -2,-0.4 15,-0.2 15,-0.2 2,-0.2 -0.778 29.4-131.7 -84.3 124.0 -1.3 29.7 38.2 92 95 A C - 0 0 17 13,-2.6 13,-0.4 -2,-0.5 2,-0.1 -0.457 10.2-127.7 -84.1 148.5 -2.6 32.5 36.0 93 96 A D > - 0 0 96 -2,-0.2 4,-2.1 11,-0.1 5,-0.2 -0.206 39.9 -86.5 -80.7 179.4 -6.0 34.2 36.2 94 97 A K H > S+ 0 0 177 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.861 124.4 54.4 -58.0 -43.1 -8.3 34.7 33.2 95 98 A V H > S+ 0 0 110 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.927 111.2 44.7 -60.4 -46.4 -6.8 38.0 32.1 96 99 A E H > S+ 0 0 32 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.874 113.9 49.9 -66.4 -39.1 -3.3 36.5 31.9 97 100 A A H X>S+ 0 0 8 -4,-2.1 5,-2.1 1,-0.2 4,-0.8 0.894 109.5 51.9 -63.8 -41.2 -4.5 33.4 30.1 98 101 A Q H <5S+ 0 0 142 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.848 101.6 60.8 -66.1 -33.7 -6.5 35.6 27.6 99 102 A E H <5S+ 0 0 73 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.914 112.7 37.5 -57.1 -43.8 -3.3 37.6 26.9 100 103 A R H <5S- 0 0 20 -4,-1.3 -1,-0.2 -3,-0.1 -2,-0.2 0.557 112.3-123.7 -82.4 -9.8 -1.7 34.4 25.6 101 104 A M T <5 + 0 0 40 -4,-0.8 22,-0.9 -3,-0.4 2,-0.3 0.925 67.7 126.4 62.1 50.9 -5.0 33.2 24.0 102 105 A V E < - G 0 122A 10 -5,-2.1 -1,-0.3 20,-0.2 19,-0.2 -0.898 65.8-128.8-131.5 161.2 -5.0 29.9 26.0 103 106 A L E S+ 0 0 120 17,-1.3 2,-0.3 18,-0.9 18,-0.2 0.802 94.3 15.0 -82.9 -30.0 -7.6 28.2 28.2 104 107 A G E S- G 0 120A 10 16,-1.7 16,-1.7 -7,-0.1 2,-0.4 -0.991 70.5-177.9-146.1 142.8 -5.2 27.6 31.1 105 108 A L E - G 0 119A 2 -13,-0.4 -13,-2.6 -2,-0.3 2,-0.3 -0.999 10.2-179.8-146.2 135.1 -1.8 29.0 31.9 106 109 A M E -FG 91 118A 2 12,-2.4 12,-2.3 -2,-0.4 2,-0.4 -0.976 15.9-149.0-131.2 151.7 0.9 28.7 34.5 107 110 A K E +FG 90 117A 36 -17,-2.6 -17,-2.0 -2,-0.3 2,-0.2 -0.949 29.0 135.4-124.8 139.5 4.2 30.6 34.7 108 111 A T E - G 0 116A 22 8,-2.7 8,-2.5 -2,-0.4 2,-0.3 -0.809 42.3-111.3-153.6-170.5 7.6 29.6 36.1 109 112 A E E - G 0 115A 120 -21,-0.4 -21,-0.2 6,-0.3 -45,-0.0 -0.994 25.0-122.9-133.5 144.4 11.3 29.7 35.1 110 113 A D > - 0 0 1 4,-2.3 3,-2.2 -2,-0.3 50,-0.1 -0.239 43.8 -91.5 -73.6 171.0 13.6 26.9 34.2 111 114 A P T 3 S+ 0 0 34 0, 0.0 -1,-0.1 0, 0.0 49,-0.1 0.706 127.4 57.1 -61.9 -17.9 16.8 26.4 36.2 112 115 A G T 3 S- 0 0 13 41,-0.1 41,-0.1 2,-0.1 45,-0.0 0.417 122.8-103.4 -88.6 -0.4 18.8 28.7 33.8 113 116 A G S < S+ 0 0 23 -3,-2.2 41,-0.1 1,-0.3 96,-0.1 0.522 71.2 146.9 91.7 9.1 16.3 31.6 34.4 114 117 A N - 0 0 0 39,-0.2 -4,-2.3 1,-0.1 -1,-0.3 -0.675 55.9-114.5 -83.1 120.2 14.4 31.2 31.1 115 118 A P E - G 0 109A 32 0, 0.0 -50,-1.8 0, 0.0 2,-0.4 -0.356 38.7-167.0 -59.9 129.4 10.8 32.2 31.5 116 119 A T E -eG 65 108A 1 -8,-2.5 -8,-2.7 -52,-0.2 2,-0.4 -0.970 9.3-168.1-129.1 125.1 8.7 29.0 31.0 117 120 A E E -eG 66 107A 7 -52,-3.1 -50,-3.2 -2,-0.4 2,-0.4 -0.926 4.9-162.0-116.7 141.4 5.0 28.8 30.5 118 121 A I E +eG 67 106A 0 -12,-2.3 -12,-2.4 -2,-0.4 2,-0.3 -0.992 24.9 161.1-121.1 131.1 2.8 25.7 30.6 119 122 A F E -eG 68 105A 0 -52,-2.4 -50,-2.3 -2,-0.4 2,-0.3 -0.939 28.9-149.8-143.8 162.1 -0.6 25.8 29.0 120 123 A W E + G 0 104A 51 -16,-1.7 -16,-1.7 -2,-0.3 -17,-1.3 -0.971 69.6 35.3-129.2 153.3 -3.5 23.9 27.6 121 124 A G E - 0 0 15 -52,-0.5 -18,-0.9 -2,-0.3 -1,-0.2 0.991 65.0-159.0 76.9 67.0 -6.0 24.9 24.9 122 125 A P E - G 0 102A 21 0, 0.0 2,-0.5 0, 0.0 -20,-0.2 -0.360 25.3-108.5 -68.6 155.1 -4.3 27.0 22.2 123 126 A R - 0 0 118 -22,-0.9 -74,-2.5 -73,-0.1 2,-0.5 -0.773 34.8-166.5 -86.0 124.5 -6.5 29.2 20.0 124 127 A I B -H 48 0B 65 -2,-0.5 2,-1.0 -76,-0.3 -76,-0.3 -0.954 13.3-154.4-115.2 127.9 -6.7 27.9 16.4 125 128 A D > + 0 0 21 -78,-2.7 3,-1.9 -2,-0.5 -2,-0.0 -0.677 22.2 167.6-102.4 78.8 -8.1 30.0 13.6 126 129 A M T 3 S+ 0 0 119 -2,-1.0 -1,-0.2 1,-0.3 -78,-0.1 0.768 76.2 61.2 -60.6 -26.4 -9.4 27.4 11.2 127 130 A S T 3 S+ 0 0 115 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.616 101.3 57.6 -72.9 -14.4 -11.2 30.1 9.3 128 131 A N S < S- 0 0 63 -3,-1.9 -1,-0.2 -81,-0.2 -3,-0.2 -0.739 77.7-159.9-124.2 80.2 -7.8 31.8 8.6 129 132 A P - 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