==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 01-JAN-13 4ILV . COMPND 2 MOLECULE: INTRADIOL RING-CLEAVAGE DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES SP. SIREXAA-E; . AUTHOR C.M.BIANCHETTI,T.E.TAKASUKA,L.F.BERGEMAN,C.H.HARMANN,B.G.FOX . 312 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14456.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 52.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 23.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 . 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 . 19 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 0.6 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+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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 2 0 2 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 0 PARALLEL BRIDGES PER LADDER . 4 0 0 0 6 2 2 0 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 2 0 2 2 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 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 77 A D 0 0 151 0, 0.0 150,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 80.0 80.7 -2.7 10.8 2 78 A P - 0 0 75 0, 0.0 149,-0.2 0, 0.0 147,-0.1 0.681 360.0-120.8 -96.2 152.9 78.3 -2.8 12.5 3 79 A T - 0 0 12 147,-2.0 149,-0.1 1,-0.1 129,-0.1 -0.204 33.5-122.9 -52.4 118.7 79.4 -2.2 16.1 4 80 A P - 0 0 41 0, 0.0 109,-0.3 0, 0.0 2,-0.2 -0.271 23.2-124.7 -63.3 150.0 78.5 -5.2 18.2 5 81 A D - 0 0 119 107,-0.1 107,-0.3 105,-0.0 2,-0.3 -0.587 26.9-176.1 -93.9 158.7 76.2 -4.7 21.3 6 82 A Q - 0 0 31 105,-3.1 105,-0.1 -2,-0.2 121,-0.0 -0.923 35.7 -69.5-144.4 170.5 77.0 -5.7 24.9 7 83 A M - 0 0 124 -2,-0.3 -1,-0.0 1,-0.1 105,-0.0 -0.186 31.7-133.3 -66.0 154.3 75.2 -5.6 28.2 8 84 A E - 0 0 80 103,-0.1 3,-0.2 91,-0.1 -1,-0.1 0.899 38.9-145.8 -70.7 -44.2 74.5 -2.4 30.1 9 85 A G > - 0 0 28 1,-0.1 3,-0.9 2,-0.1 -1,-0.1 -0.031 29.2 -81.3 87.8 160.7 75.7 -3.6 33.5 10 86 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.686 117.7 70.3 -70.1 -16.7 74.3 -2.6 36.9 11 87 A Y T 3 + 0 0 71 -3,-0.2 2,-0.2 2,-0.1 52,-0.1 0.255 66.3 115.9 -95.4 10.6 76.2 0.7 37.0 12 88 A F < - 0 0 39 -3,-0.9 -3,-0.0 42,-0.1 58,-0.0 -0.552 42.8-167.8 -73.1 143.9 74.4 2.7 34.4 13 89 A K - 0 0 34 -2,-0.2 3,-0.3 54,-0.0 -2,-0.1 -0.989 15.4-135.0-131.4 124.3 72.5 5.8 35.5 14 90 A P S S+ 0 0 81 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.253 81.2 45.8 -67.1 165.7 70.0 7.5 33.2 15 91 A D + 0 0 147 1,-0.1 52,-0.0 2,-0.0 0, 0.0 0.838 69.4 178.2 71.3 39.3 70.0 11.3 32.8 16 92 A S - 0 0 8 -3,-0.3 -1,-0.1 1,-0.1 55,-0.1 -0.348 33.6-106.9 -64.4 152.2 73.8 11.9 32.5 17 93 A P - 0 0 40 0, 0.0 55,-2.3 0, 0.0 2,-0.7 -0.411 35.6 -98.5 -75.3 158.8 74.7 15.6 31.9 18 94 A P B +a 72 0A 103 0, 0.0 2,-0.3 0, 0.0 55,-0.2 -0.734 69.1 124.4 -81.0 119.2 75.8 16.9 28.5 19 95 A R - 0 0 94 53,-2.0 3,-0.0 -2,-0.7 -3,-0.0 -0.892 48.9-156.5-167.4 145.3 79.6 17.1 28.4 20 96 A T S S+ 0 0 72 -2,-0.3 64,-2.5 1,-0.1 2,-0.5 0.625 86.1 66.0 -96.2 -16.7 82.5 15.8 26.3 21 97 A S B +f 84 0B 42 62,-0.2 64,-0.2 1,-0.1 -1,-0.1 -0.925 50.5 174.7-110.3 127.6 85.0 16.2 29.2 22 98 A L + 0 0 20 62,-3.2 47,-0.4 -2,-0.5 2,-0.3 0.423 65.2 45.3-104.1 -3.1 84.7 14.0 32.3 23 99 A V - 0 0 11 61,-0.5 2,-0.2 62,-0.1 61,-0.1 -0.849 58.6-150.0-137.3 167.1 87.9 15.2 34.0 24 100 A T > - 0 0 74 -2,-0.3 3,-0.8 4,-0.0 -2,-0.0 -0.702 46.5 -92.1-122.8-176.7 90.1 18.1 34.9 25 101 A S T 3 S+ 0 0 119 1,-0.2 -2,-0.0 -2,-0.2 -1,-0.0 0.789 128.1 54.4 -63.6 -28.4 93.8 18.5 35.4 26 102 A S T 3 S+ 0 0 102 2,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.532 80.5 108.2 -85.1 -11.1 93.2 17.8 39.1 27 103 A T S < S- 0 0 35 -3,-0.8 2,-0.1 1,-0.1 -4,-0.1 -0.571 74.6-123.1 -65.9 126.1 91.4 14.5 38.4 28 104 A P + 0 0 92 0, 0.0 30,-0.4 0, 0.0 2,-0.2 -0.440 66.4 60.5 -69.9 144.3 93.7 11.6 39.4 29 105 A G S S- 0 0 35 -2,-0.1 28,-0.0 29,-0.1 30,-0.0 -0.607 92.2 -50.1 130.2 173.0 94.5 9.0 36.8 30 106 A V - 0 0 53 57,-0.3 57,-2.5 -2,-0.2 112,-0.1 -0.733 63.1-115.5 -83.4 117.0 96.2 8.5 33.4 31 107 A P E -G 86 0B 66 0, 0.0 112,-2.7 0, 0.0 2,-0.4 -0.240 38.9-179.6 -53.8 138.9 94.8 11.1 30.9 32 108 A L E -Gh 85 143B 2 53,-2.4 53,-3.7 110,-0.2 2,-0.5 -0.975 15.7-171.3-143.9 123.6 92.9 9.5 28.1 33 109 A T E -Gh 84 144B 54 110,-1.8 112,-3.5 -2,-0.4 2,-0.5 -0.988 10.2-165.7-111.0 127.4 91.2 11.2 25.1 34 110 A V E +Gh 83 145B 0 49,-2.8 49,-2.8 -2,-0.5 2,-0.3 -0.952 17.2 164.3-109.6 131.1 89.0 8.8 23.0 35 111 A S E +Gh 82 146B 47 110,-2.5 112,-1.9 -2,-0.5 2,-0.3 -0.949 8.9 112.4-143.7 163.9 87.9 10.1 19.6 36 112 A G E -G 81 0B 7 45,-1.7 45,-2.2 -2,-0.3 2,-0.3 -0.977 49.9 -76.2 168.7-155.2 86.5 8.8 16.2 37 113 A Y E -G 80 0B 103 -2,-0.3 112,-2.6 43,-0.3 2,-0.5 -0.890 21.7-129.5-133.6 161.2 83.4 8.9 14.0 38 114 A V E -j 149 0C 0 41,-2.2 8,-2.8 -2,-0.3 2,-0.3 -0.971 31.6-173.0-110.4 119.6 79.9 7.4 13.8 39 115 A F E -jK 150 45C 45 110,-3.2 112,-2.7 -2,-0.5 2,-0.1 -0.764 10.8-146.1-108.1 157.0 79.1 5.9 10.4 40 116 A G > - 0 0 1 4,-1.9 3,-1.7 -2,-0.3 114,-0.2 -0.290 49.7 -65.4-101.2-163.3 75.9 4.5 9.0 41 117 A R T 3 S+ 0 0 149 112,-2.8 113,-0.1 1,-0.3 111,-0.1 0.665 131.0 49.3 -62.0 -23.7 75.4 1.6 6.6 42 118 A A T 3 S- 0 0 49 111,-0.4 -1,-0.3 2,-0.2 112,-0.1 0.148 117.0-104.7-105.1 21.4 77.0 3.3 3.6 43 119 A C S < S+ 0 0 94 -3,-1.7 -2,-0.1 1,-0.2 -4,-0.0 0.782 79.5 134.4 62.4 28.9 80.2 4.4 5.4 44 120 A K - 0 0 115 -4,-0.1 -4,-1.9 1,-0.0 -1,-0.2 -0.882 63.6 -98.6-110.6 145.6 79.0 8.0 5.6 45 121 A P B -K 39 0C 66 0, 0.0 2,-0.5 0, 0.0 -6,-0.2 -0.236 33.3-137.6 -62.4 145.3 79.2 10.1 8.8 46 122 A L - 0 0 23 -8,-2.8 3,-0.5 33,-0.3 -8,-0.2 -0.922 13.4-150.4-109.8 129.2 76.0 10.3 10.9 47 123 A T S S+ 0 0 84 -2,-0.5 29,-0.2 1,-0.2 30,-0.1 -0.602 72.2 20.1 -96.8 150.5 75.0 13.6 12.4 48 124 A G S S+ 0 0 30 27,-2.3 2,-0.4 1,-0.2 -1,-0.2 0.705 77.0 158.6 69.8 20.1 73.1 14.1 15.7 49 125 A V - 0 0 0 -3,-0.5 26,-1.9 27,-0.2 2,-0.5 -0.643 39.1-130.4 -77.1 130.9 73.9 10.7 17.1 50 126 A L E -BC 74 103A 33 53,-2.9 53,-2.4 -2,-0.4 2,-0.5 -0.703 23.6-173.4 -80.1 123.6 73.6 10.6 20.9 51 127 A L E -BC 73 102A 0 22,-3.2 22,-2.3 -2,-0.5 2,-0.6 -0.978 0.8-173.3-118.9 118.5 76.7 9.0 22.6 52 128 A D E -BC 72 101A 17 49,-2.6 49,-2.0 -2,-0.5 2,-0.3 -0.933 9.5-169.1-117.9 107.7 76.3 8.5 26.4 53 129 A F E +BC 71 100A 0 18,-2.4 18,-2.1 -2,-0.6 2,-0.3 -0.721 12.5 167.8-100.4 143.5 79.5 7.3 28.1 54 130 A W E +BC 70 99A 2 45,-1.9 45,-2.6 -2,-0.3 2,-0.3 -0.980 8.8 152.0-147.3 158.9 80.0 6.0 31.6 55 131 A Q - 0 0 3 14,-1.3 8,-0.3 -2,-0.3 43,-0.1 -0.983 42.7 -81.5-169.9 166.6 83.0 4.3 33.3 56 132 A A - 0 0 1 41,-0.5 6,-0.2 -2,-0.3 13,-0.0 -0.442 46.1-113.4 -78.8 158.5 84.9 3.6 36.5 57 133 A D > - 0 0 55 4,-2.3 32,-2.9 31,-0.2 3,-2.1 -0.084 48.5 -78.0 -77.6-174.4 87.3 6.1 38.0 58 134 A T T 3 S+ 0 0 56 -30,-0.4 32,-0.3 1,-0.3 -29,-0.1 0.739 134.7 50.1 -61.7 -21.7 91.1 5.4 38.2 59 135 A G T 3 S- 0 0 23 30,-0.2 -1,-0.3 2,-0.1 236,-0.1 0.316 121.9-104.3 -99.4 4.7 90.5 3.2 41.2 60 136 A G S < S+ 0 0 0 -3,-2.1 2,-0.4 1,-0.3 -2,-0.1 0.580 75.5 133.5 87.9 12.4 87.7 1.2 39.6 61 137 A A - 0 0 30 234,-0.1 -4,-2.3 30,-0.1 2,-0.3 -0.789 44.0-147.2-100.3 138.1 84.7 2.7 41.3 62 138 A Y - 0 0 25 -2,-0.4 2,-0.8 -6,-0.2 -6,-0.1 -0.757 23.8-118.6 -93.8 148.6 81.5 3.9 39.6 63 139 A D + 0 0 45 5,-0.6 -8,-0.0 -8,-0.3 -2,-0.0 -0.772 39.1 165.6 -90.4 108.4 79.6 6.8 41.0 64 140 A M S S+ 0 0 87 -2,-0.8 -1,-0.2 1,-0.1 3,-0.0 0.614 75.9 47.9 -94.7 -16.7 76.2 5.7 42.1 65 141 A T S S+ 0 0 136 3,-0.0 2,-0.1 0, 0.0 -1,-0.1 0.845 125.4 10.0 -92.4 -40.2 75.2 8.7 44.2 66 142 A G S S- 0 0 19 2,-0.1 -3,-0.0 0, 0.0 0, 0.0 -0.274 83.8 -97.3-116.1-150.4 76.3 11.3 41.6 67 143 A F > + 0 0 68 -2,-0.1 3,-1.7 3,-0.1 -3,-0.1 0.075 55.6 148.9-128.1 24.4 77.3 11.5 37.9 68 144 A A T 3 S+ 0 0 46 1,-0.3 -5,-0.6 -14,-0.0 -13,-0.2 -0.358 78.2 14.6 -56.6 138.0 81.1 11.6 38.1 69 145 A F T 3 S+ 0 0 24 -47,-0.4 -14,-1.3 1,-0.2 2,-0.4 0.786 105.9 109.0 60.2 31.1 82.5 9.8 35.0 70 146 A R E < + B 0 54A 3 -3,-1.7 2,-0.3 -16,-0.2 -1,-0.2 -0.999 36.7 135.9-131.3 131.5 79.1 10.0 33.3 71 147 A G E - B 0 53A 0 -18,-2.1 -18,-2.4 -2,-0.4 2,-0.3 -0.895 30.1-150.7-172.9 145.6 78.4 12.3 30.4 72 148 A H E +aB 18 52A 33 -55,-2.3 -53,-2.0 -2,-0.3 2,-0.3 -0.816 12.4 177.0-122.7 164.8 76.8 12.4 26.9 73 149 A Q E - B 0 51A 16 -22,-2.3 -22,-3.2 -2,-0.3 2,-0.4 -0.939 23.7-121.6-154.7 168.9 77.2 14.2 23.6 74 150 A F E - B 0 50A 126 -2,-0.3 -24,-0.2 -24,-0.2 2,-0.2 -0.943 31.7-111.2-120.5 141.7 75.9 14.5 20.1 75 151 A T - 0 0 5 -26,-1.9 -27,-2.3 -2,-0.4 6,-0.2 -0.479 34.9-134.7 -71.1 143.0 77.9 14.0 16.9 76 152 A G > - 0 0 34 4,-1.0 3,-1.7 -29,-0.2 -27,-0.2 0.037 39.8 -71.8 -82.2-166.3 78.4 17.1 14.8 77 153 A A T 3 S+ 0 0 97 1,-0.3 -30,-0.1 -30,-0.1 -2,-0.1 0.856 134.0 51.2 -57.7 -36.3 78.1 17.7 11.1 78 154 A D T 3 S- 0 0 87 2,-0.1 -1,-0.3 1,-0.1 -32,-0.1 0.495 113.0-119.0 -83.2 -1.9 81.2 15.7 10.4 79 155 A G < + 0 0 0 -3,-1.7 -41,-2.2 1,-0.2 -33,-0.3 0.615 66.3 141.7 77.2 12.7 79.9 12.8 12.5 80 156 A S E - G 0 37B 34 -43,-0.2 -4,-1.0 -35,-0.1 2,-0.3 -0.443 31.2-169.4 -88.0 159.0 82.8 13.0 14.9 81 157 A F E - G 0 36B 3 -45,-2.2 -45,-1.7 -6,-0.2 2,-0.3 -0.962 3.7-165.9-137.0 160.8 83.0 12.6 18.7 82 158 A T E - G 0 35B 68 -2,-0.3 2,-0.4 -47,-0.2 -47,-0.2 -0.987 1.6-170.4-144.0 139.9 85.6 13.2 21.4 83 159 A L E - G 0 34B 0 -49,-2.8 -49,-2.8 -2,-0.3 2,-0.6 -0.968 6.0-162.5-132.3 114.9 85.7 12.1 25.1 84 160 A R E +fG 21 33B 104 -64,-2.5 -62,-3.2 -2,-0.4 -61,-0.5 -0.879 40.4 120.3 -96.7 122.2 88.3 13.5 27.5 85 161 A T E - G 0 32B 1 -53,-3.7 -53,-2.4 -2,-0.6 2,-0.3 -0.642 58.0 -90.7-152.8-161.9 88.6 11.2 30.5 86 162 A I E - G 0 31B 3 -55,-0.3 -57,-0.1 -2,-0.2 3,-0.0 -0.911 51.7 -84.3-124.4 164.5 91.1 9.1 32.4 87 163 A V - 0 0 9 -57,-2.5 -57,-0.3 -2,-0.3 11,-0.0 -0.497 54.4-118.7 -65.7 122.2 92.0 5.4 31.9 88 164 A P - 0 0 1 0, 0.0 -30,-0.2 0, 0.0 -31,-0.2 -0.361 27.4-120.1 -65.0 145.7 89.4 3.5 33.9 89 165 A G - 0 0 5 -32,-2.9 8,-0.2 -28,-0.1 2,-0.2 -0.396 27.3-100.3 -80.4 159.5 90.7 1.4 36.7 90 166 A L - 0 0 21 -32,-0.3 215,-0.1 -2,-0.1 5,-0.1 -0.535 38.2-177.7 -76.7 148.0 90.2 -2.4 37.1 91 167 A Y B > -L 94 0D 17 3,-0.5 3,-1.5 -2,-0.2 -31,-0.1 -0.848 43.6 -51.3-139.2 171.4 87.5 -3.9 39.3 92 168 A P T 3 S- 0 0 30 0, 0.0 213,-0.1 0, 0.0 3,-0.1 -0.160 114.9 -5.5 -59.2 132.0 86.6 -7.5 40.2 93 169 A G T 3 S+ 0 0 41 1,-0.1 2,-0.4 -3,-0.0 102,-0.0 0.315 109.6 96.3 83.0 -7.3 86.0 -9.9 37.4 94 170 A R B < -L 91 0D 31 -3,-1.5 -3,-0.5 31,-0.1 -1,-0.1 -0.914 64.1-132.9-124.1 144.4 86.3 -7.5 34.5 95 171 A T - 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