==== 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 31-DEC-12 4ILT . 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 . 617 4 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27956.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 345 55.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 135 21.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 15 2.4 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 . 52 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 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 . 12 4 0 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 0 PARALLEL BRIDGES PER LADDER . 4 0 4 0 8 1 7 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 4 0 4 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 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 0 193 0, 0.0 149,-0.1 0, 0.0 151,-0.0 0.000 360.0 360.0 360.0 133.6 -6.7 5.3 19.9 2 78 A P - 0 0 64 0, 0.0 149,-0.2 0, 0.0 38,-0.0 -0.265 360.0 -90.6 -66.0 141.8 -3.2 3.9 20.6 3 79 A T - 0 0 13 147,-2.2 149,-0.1 1,-0.1 129,-0.1 -0.304 48.3-118.5 -55.3 120.9 -2.4 2.5 24.0 4 80 A P - 0 0 34 0, 0.0 2,-0.3 0, 0.0 109,-0.2 -0.189 23.9-123.9 -58.2 148.5 -1.1 5.4 26.2 5 81 A D - 0 0 125 107,-0.1 107,-0.3 105,-0.0 2,-0.2 -0.688 31.9-179.8 -90.6 150.2 2.4 5.0 27.6 6 82 A Q - 0 0 31 105,-2.4 105,-0.1 -2,-0.3 121,-0.0 -0.832 36.1 -61.5-135.9 177.2 3.1 5.2 31.3 7 83 A M - 0 0 109 -2,-0.2 -1,-0.1 1,-0.1 120,-0.0 -0.305 31.2-139.2 -56.1 144.3 6.1 5.1 33.8 8 84 A E - 0 0 81 1,-0.1 3,-0.3 91,-0.1 -1,-0.1 0.801 42.2-149.2 -66.9 -33.3 8.1 1.9 34.0 9 85 A G - 0 0 21 1,-0.2 3,-0.5 2,-0.1 -1,-0.1 -0.231 32.7 -63.9 79.3-180.0 8.2 2.4 37.8 10 86 A P S S+ 0 0 94 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.662 118.8 62.5 -73.6 -20.7 11.0 1.3 40.1 11 87 A Y + 0 0 62 -3,-0.3 2,-0.1 43,-0.1 -2,-0.1 0.100 59.2 128.6-112.7 23.7 10.8 -2.4 39.6 12 88 A F - 0 0 43 -3,-0.5 42,-0.0 42,-0.0 58,-0.0 -0.425 34.2-163.4 -73.5 145.9 11.5 -3.6 36.0 13 89 A K - 0 0 35 -2,-0.1 3,-0.4 54,-0.0 -2,-0.0 -0.981 13.4-134.5-130.9 126.5 14.1 -6.3 35.3 14 90 A P S S+ 0 0 79 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.306 80.3 35.7 -70.1 158.4 15.5 -7.0 31.8 15 91 A D S S- 0 0 140 1,-0.2 0, 0.0 2,-0.0 0, 0.0 0.818 73.7-176.8 71.1 37.5 15.9 -10.4 30.3 16 92 A S - 0 0 2 -3,-0.4 -1,-0.2 1,-0.1 55,-0.1 -0.328 32.9-100.8 -61.0 146.1 12.8 -12.0 31.7 17 93 A P - 0 0 4 0, 0.0 55,-1.7 0, 0.0 2,-0.8 -0.336 39.3-103.4 -66.3 151.7 12.2 -15.7 30.9 18 94 A P B +a 72 0A 18 0, 0.0 2,-0.3 0, 0.0 55,-0.2 -0.722 65.0 140.8 -76.6 108.3 9.8 -16.5 28.0 19 95 A R - 0 0 10 53,-1.2 276,-0.0 -2,-0.8 280,-0.0 -0.937 46.7-163.2-153.5 138.4 6.6 -17.6 29.7 20 96 A T S S+ 0 0 25 -2,-0.3 64,-2.4 1,-0.1 2,-0.5 0.509 87.6 62.6 -91.4 -4.5 2.9 -17.2 29.3 21 97 A S B -f 84 0B 6 62,-0.2 64,-0.2 1,-0.1 -1,-0.1 -0.984 56.1-177.4-122.2 130.7 2.3 -18.4 32.8 22 98 A L + 0 0 5 62,-3.3 47,-0.7 -2,-0.5 2,-0.3 0.443 69.6 45.4-102.3 -5.5 3.7 -16.4 35.7 23 99 A V - 0 0 5 61,-0.6 2,-0.2 45,-0.1 61,-0.1 -0.807 65.7-143.6-131.1 172.3 2.5 -18.8 38.3 24 100 A T > - 0 0 12 -2,-0.3 3,-0.9 4,-0.0 167,-0.1 -0.615 44.6 -86.3-122.1-170.2 2.3 -22.5 39.2 25 101 A S T 3 S+ 0 0 74 1,-0.2 330,-0.1 -2,-0.2 276,-0.0 0.376 127.2 48.3 -80.9 1.9 -0.2 -24.7 40.9 26 102 A S T 3 S+ 0 0 2 328,-0.1 -1,-0.2 329,-0.1 325,-0.0 0.361 79.9 121.3-122.6 0.7 1.3 -23.8 44.2 27 103 A T < - 0 0 5 -3,-0.9 2,-0.2 328,-0.1 -4,-0.1 -0.454 63.3-124.0 -65.2 130.3 1.5 -20.0 43.9 28 104 A P + 0 0 39 0, 0.0 30,-0.4 0, 0.0 361,-0.2 -0.514 63.8 66.4 -71.2 142.1 -0.5 -18.2 46.5 29 105 A G S S- 0 0 9 359,-0.7 329,-0.2 327,-0.4 360,-0.1 -0.458 87.2 -56.4 135.8 164.9 -3.1 -15.7 45.3 30 106 A V - 0 0 38 57,-0.3 57,-2.4 -2,-0.2 112,-0.1 -0.605 65.7-109.0 -73.4 122.2 -6.4 -15.2 43.6 31 107 A P E +G 86 0B 46 0, 0.0 112,-3.5 0, 0.0 2,-0.3 -0.276 43.0 179.1 -55.0 135.4 -6.2 -16.7 40.1 32 108 A L E -Gh 85 143B 2 53,-3.1 53,-4.1 110,-0.2 2,-0.5 -0.970 16.5-171.3-145.7 124.7 -6.1 -14.3 37.2 33 109 A T E -Gh 84 144B 49 110,-1.8 112,-3.3 -2,-0.3 2,-0.5 -0.976 6.4-166.3-110.4 127.4 -5.8 -14.7 33.4 34 110 A V E +Gh 83 145B 2 49,-3.2 49,-2.8 -2,-0.5 2,-0.3 -0.954 22.0 158.0-110.0 123.3 -5.2 -11.6 31.2 35 111 A S E +Gh 82 146B 33 110,-1.9 112,-1.3 -2,-0.5 2,-0.3 -0.942 6.9 112.4-138.9 161.5 -5.8 -12.2 27.5 36 112 A G E -G 81 0B 9 45,-1.5 45,-2.3 -2,-0.3 2,-0.3 -0.978 51.7 -72.6 170.3-156.7 -6.6 -10.1 24.4 37 113 A Y E -G 80 0B 89 110,-0.3 112,-2.4 -2,-0.3 2,-0.5 -0.870 19.9-136.5-124.0 165.2 -5.3 -8.9 21.1 38 114 A V E -j 149 0C 0 41,-1.4 8,-3.1 8,-0.3 2,-0.3 -0.996 28.3-170.5-114.9 121.3 -2.7 -6.5 19.9 39 115 A F E -jK 150 45C 49 110,-3.0 112,-2.9 -2,-0.5 2,-0.1 -0.796 5.2-162.4-107.0 155.2 -4.1 -4.5 16.9 40 116 A G > - 0 0 5 4,-2.3 3,-0.8 1,-0.3 114,-0.2 -0.164 52.9 -32.9-106.7-151.8 -2.1 -2.2 14.7 41 117 A R G > S+ 0 0 132 112,-2.8 3,-1.1 1,-0.2 -1,-0.3 -0.415 128.2 14.0 -64.2 141.6 -3.3 0.5 12.3 42 118 A A G 3 S- 0 0 104 1,-0.2 -1,-0.2 -3,-0.1 112,-0.0 0.821 128.6 -66.3 62.2 40.0 -6.7 -0.3 10.7 43 119 A a G < S+ 0 0 106 -3,-0.8 -1,-0.2 1,-0.2 -2,-0.1 0.643 83.7 156.5 59.7 20.7 -7.8 -3.2 13.0 44 120 A K < - 0 0 110 -3,-1.1 -4,-2.3 1,-0.0 2,-0.2 -0.656 43.3-131.0 -76.5 114.6 -5.0 -5.5 11.8 45 121 A P B -K 39 0C 59 0, 0.0 2,-0.3 0, 0.0 -6,-0.3 -0.524 29.2-131.7 -65.2 132.9 -4.4 -8.1 14.5 46 122 A L - 0 0 8 -8,-3.1 -8,-0.3 33,-0.3 2,-0.3 -0.697 16.4-153.1 -99.4 137.2 -0.6 -8.1 15.0 47 123 A T S S+ 0 0 83 -2,-0.3 29,-0.2 1,-0.2 30,-0.2 -0.753 70.9 16.6-106.5 151.1 1.6 -11.2 15.1 48 124 A G S S+ 0 0 31 27,-1.7 2,-0.5 -2,-0.3 -1,-0.2 0.719 78.5 156.8 63.6 24.1 5.0 -11.7 16.8 49 125 A V - 0 0 1 -3,-0.3 26,-1.6 27,-0.2 55,-0.2 -0.716 42.6-122.4 -82.4 127.6 4.6 -8.6 19.0 50 126 A L E -BC 74 103A 40 53,-2.7 53,-2.3 -2,-0.5 2,-0.4 -0.474 27.8-175.3 -74.6 131.5 6.7 -8.8 22.2 51 127 A L E -BC 73 102A 0 22,-2.6 22,-2.3 -2,-0.2 2,-0.6 -0.959 1.1-175.6-129.2 111.4 4.7 -8.5 25.5 52 128 A D E -BC 72 101A 17 49,-3.0 49,-1.9 -2,-0.4 2,-0.3 -0.934 11.0-169.2-114.4 115.1 6.8 -8.4 28.6 53 129 A F E +BC 71 100A 0 18,-2.3 18,-1.7 -2,-0.6 2,-0.3 -0.720 12.3 168.2-107.6 154.1 4.8 -8.4 31.8 54 130 A W E +BC 70 99A 2 45,-2.0 45,-2.7 -2,-0.3 2,-0.3 -0.909 6.1 154.7-164.6 144.0 5.7 -7.8 35.5 55 131 A Q - 0 0 1 14,-1.4 8,-0.4 -2,-0.3 43,-0.1 -0.921 42.3 -81.9-157.8 170.6 3.8 -7.2 38.7 56 132 A A - 0 0 1 41,-0.5 6,-0.2 -2,-0.3 2,-0.0 -0.346 49.3-107.7 -76.8 160.7 3.8 -7.5 42.4 57 133 A D > - 0 0 36 4,-2.5 32,-2.4 31,-0.1 3,-2.2 -0.207 48.8 -79.1 -78.8-175.1 3.0 -10.8 44.2 58 134 A T T 3 S+ 0 0 25 -30,-0.4 32,-0.2 1,-0.3 330,-0.1 0.728 133.7 52.3 -60.5 -22.2 -0.3 -11.4 46.1 59 135 A G T 3 S- 0 0 62 30,-0.2 -1,-0.3 2,-0.1 31,-0.1 0.413 124.9 -99.0 -95.3 -6.4 1.2 -9.4 49.0 60 136 A G S < S+ 0 0 7 -3,-2.2 2,-0.4 1,-0.3 -2,-0.1 0.675 78.8 135.2 103.8 20.3 2.1 -6.4 47.0 61 137 A A - 0 0 47 30,-0.1 -4,-2.5 -4,-0.0 2,-0.3 -0.866 45.3-146.1-115.5 130.3 5.8 -7.3 46.6 62 138 A Y - 0 0 30 -2,-0.4 2,-1.0 -6,-0.2 -6,-0.1 -0.725 21.7-127.2 -90.8 141.5 8.1 -7.1 43.5 63 139 A D + 0 0 16 5,-0.4 -8,-0.0 -8,-0.4 168,-0.0 -0.756 34.2 167.1 -94.4 99.0 10.8 -9.8 43.2 64 140 A M S S+ 0 0 88 -2,-1.0 -1,-0.2 1,-0.2 167,-0.0 0.686 73.6 52.0 -85.2 -15.4 14.1 -8.0 42.6 65 141 A T S S+ 0 0 99 3,-0.0 164,-0.2 0, 0.0 -1,-0.2 0.815 120.2 12.2 -90.4 -34.1 16.4 -11.0 43.2 66 142 A G S S- 0 0 10 2,-0.1 170,-0.1 162,-0.1 164,-0.1 -0.197 85.1 -95.1-117.9-147.6 14.7 -13.4 40.8 67 143 A F > + 0 0 17 -2,-0.1 3,-1.8 3,-0.1 169,-0.1 0.130 59.8 148.6-128.0 21.4 12.2 -13.4 38.0 68 144 A A T 3 S+ 0 0 6 1,-0.3 -5,-0.4 167,-0.1 -13,-0.2 -0.285 76.6 10.5 -52.7 136.2 9.1 -14.3 39.9 69 145 A F T 3 S+ 0 0 10 -47,-0.7 -14,-1.4 1,-0.2 2,-0.4 0.733 108.1 110.3 59.3 26.8 6.0 -12.7 38.4 70 146 A R E < + B 0 54A 2 -3,-1.8 2,-0.2 -16,-0.2 -1,-0.2 -0.992 35.1 130.9-127.5 133.6 8.1 -11.7 35.4 71 147 A G E - B 0 53A 0 -18,-1.7 -18,-2.3 -2,-0.4 2,-0.3 -0.848 32.9-148.2-179.5 145.5 7.7 -13.3 31.9 72 148 A H E +aB 18 52A 22 -55,-1.7 -53,-1.2 -20,-0.2 2,-0.3 -0.887 13.6 176.8-125.4 155.2 7.3 -12.4 28.3 73 149 A Q E - B 0 51A 11 -22,-2.3 -22,-2.6 -2,-0.3 2,-0.4 -0.831 25.9-120.2-139.7 178.2 5.5 -13.9 25.3 74 150 A F E - B 0 50A 104 -2,-0.3 -24,-0.2 -24,-0.2 6,-0.1 -0.998 35.4-107.6-126.3 133.3 4.8 -13.2 21.7 75 151 A T - 0 0 5 -26,-1.6 -27,-1.7 -2,-0.4 6,-0.2 -0.180 41.1-112.8 -54.4 144.9 1.2 -12.8 20.3 76 152 A G > - 0 0 30 4,-2.4 3,-1.5 -29,-0.2 -28,-0.2 0.006 36.4 -85.2 -72.6-174.6 0.0 -15.6 18.1 77 153 A A T 3 S+ 0 0 96 1,-0.3 -1,-0.1 -30,-0.2 -30,-0.1 0.766 130.7 51.1 -63.3 -27.9 -0.7 -15.6 14.4 78 154 A D T 3 S- 0 0 93 2,-0.1 -1,-0.3 -32,-0.0 -32,-0.1 0.384 121.6-106.4 -93.7 6.3 -4.2 -14.4 15.1 79 155 A G S < S+ 0 0 0 -3,-1.5 -41,-1.4 1,-0.3 -33,-0.3 0.340 73.7 138.0 92.2 -3.9 -2.9 -11.5 17.3 80 156 A S E - G 0 37B 36 -43,-0.2 -4,-2.4 -5,-0.1 2,-0.3 -0.318 31.9-167.7 -77.8 155.5 -4.0 -13.0 20.6 81 157 A F E - G 0 36B 2 -45,-2.3 -45,-1.5 -6,-0.2 2,-0.4 -0.960 1.8-162.5-132.9 159.0 -2.0 -13.0 23.8 82 158 A T E - G 0 35B 68 -2,-0.3 2,-0.5 -47,-0.2 -47,-0.2 -0.964 6.4-177.5-146.7 130.0 -2.5 -14.9 27.1 83 159 A L E - G 0 34B 0 -49,-2.8 -49,-3.2 -2,-0.4 2,-0.6 -0.979 8.8-161.6-129.7 119.7 -1.1 -14.4 30.5 84 160 A R E +fG 21 33B 113 -64,-2.4 -62,-3.3 -2,-0.5 -61,-0.6 -0.888 37.5 123.8 -98.6 121.9 -1.8 -16.6 33.5 85 161 A T E - G 0 32B 2 -53,-4.1 -53,-3.1 -2,-0.6 2,-0.3 -0.729 54.9 -96.1-152.2-166.5 -1.1 -15.0 36.8 86 162 A I E - G 0 31B 6 -55,-0.3 -57,-0.1 -2,-0.2 56,-0.0 -0.854 50.6 -85.4-119.7 163.2 -2.6 -14.1 40.2 87 163 A V - 0 0 13 -57,-2.4 -57,-0.3 -2,-0.3 2,-0.1 -0.536 49.6-125.4 -66.9 126.4 -4.1 -10.7 41.2 88 164 A P - 0 0 2 0, 0.0 -30,-0.2 0, 0.0 -31,-0.1 -0.419 21.0-121.0 -77.7 151.8 -1.3 -8.4 42.4 89 165 A G - 0 0 11 -32,-2.4 2,-0.9 1,-0.1 8,-0.3 -0.361 37.3 -82.0 -85.8 170.5 -1.5 -6.8 45.8 90 166 A L - 0 0 58 -32,-0.2 6,-0.1 -2,-0.1 -1,-0.1 -0.631 39.0-153.6 -78.8 107.0 -1.4 -3.1 46.6 91 167 A Y > - 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