==== 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/DNA 29-NOV-07 3BI3 . COMPND 2 MOLECULE: ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE ALKB; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K12; . AUTHOR C.YI,C.-G.YANG . 201 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9755.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 127 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 63 31.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 14 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 2 2 3 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 0 0 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 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 13 A E 0 0 139 0, 0.0 8,-1.7 0, 0.0 2,-0.9 0.000 360.0 360.0 360.0 -55.4 9.9 10.6 -25.3 2 14 A P E +A 8 0A 118 0, 0.0 6,-0.2 0, 0.0 3,-0.1 -0.328 360.0 156.7 -67.9 97.0 10.1 10.0 -29.1 3 15 A L E - 0 0 4 4,-1.1 2,-0.3 -2,-0.9 5,-0.2 0.900 67.0 -43.2 -81.2 -47.6 8.4 6.6 -29.8 4 16 A A E > S-A 7 0A 34 3,-1.2 3,-2.3 0, 0.0 2,-0.5 -0.930 87.8 -42.5-165.4-178.0 7.5 7.3 -33.4 5 17 A A T 3 S- 0 0 43 1,-0.3 165,-1.0 -2,-0.3 162,-0.3 -0.488 134.5 -0.3 -62.6 113.9 6.2 9.9 -35.8 6 18 A G T 3 S+ 0 0 37 -2,-0.5 2,-0.4 1,-0.2 -1,-0.3 0.492 117.1 109.6 80.0 4.9 3.3 11.5 -33.9 7 19 A A E < +A 4 0A 6 -3,-2.3 -3,-1.2 159,-0.2 -4,-1.1 -0.914 38.1 162.0-119.0 142.1 4.0 9.1 -31.0 8 20 A V E -AB 2 165A 13 157,-2.5 157,-2.6 -2,-0.4 2,-0.5 -0.993 30.1-137.2-153.0 148.0 5.4 9.8 -27.5 9 21 A I E - B 0 164A 8 -8,-1.7 2,-0.8 -2,-0.3 155,-0.2 -0.973 10.8-161.4-107.7 128.5 5.7 8.3 -24.1 10 22 A L E > - B 0 163A 14 153,-3.6 153,-1.9 -2,-0.5 3,-1.5 -0.858 23.2-143.4-105.3 92.8 5.1 10.7 -21.1 11 23 A R T 3 S- 0 0 138 -2,-0.8 151,-0.2 1,-0.3 150,-0.1 -0.377 74.3 -8.1 -68.6 131.5 6.7 8.7 -18.3 12 24 A R T > S+ 0 0 136 147,-0.2 3,-1.6 -2,-0.1 4,-0.4 0.603 88.9 139.6 61.7 16.0 4.9 8.9 -14.9 13 25 A F T < S+ 0 0 55 -3,-1.5 3,-0.3 1,-0.3 4,-0.2 0.865 74.8 38.4 -56.3 -40.9 2.6 11.7 -16.3 14 26 A A T 3> S+ 0 0 0 147,-3.3 4,-1.0 -4,-0.3 -1,-0.3 0.247 85.7 106.6 -95.6 11.2 -0.4 10.3 -14.5 15 27 A F T X4 S+ 0 0 83 -3,-1.6 3,-0.6 146,-0.4 4,-0.4 0.916 82.3 43.7 -57.6 -48.1 1.4 9.4 -11.3 16 28 A N T 34 S+ 0 0 153 -4,-0.4 3,-0.3 -3,-0.3 4,-0.3 0.824 118.3 44.2 -67.6 -33.4 -0.0 12.2 -9.3 17 29 A A T 3> S+ 0 0 26 -4,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.505 88.5 96.8 -87.7 -5.0 -3.6 11.7 -10.6 18 30 A A H S+ 0 0 109 -4,-0.4 4,-1.8 -3,-0.3 -1,-0.2 0.926 113.7 43.3 -56.1 -48.4 -5.2 7.5 -6.9 20 32 A Q H > S+ 0 0 82 -4,-0.3 4,-2.0 -3,-0.2 -1,-0.2 0.876 111.6 54.5 -65.4 -40.6 -8.2 9.5 -8.1 21 33 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.911 108.4 49.6 -57.8 -43.9 -8.2 7.7 -11.4 22 34 A I H X S+ 0 0 14 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.872 108.2 52.0 -66.5 -39.9 -8.3 4.3 -9.6 23 35 A R H X S+ 0 0 122 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.897 111.7 48.2 -59.2 -40.9 -11.3 5.4 -7.4 24 36 A D H X S+ 0 0 29 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.796 105.3 56.9 -74.8 -30.1 -13.1 6.5 -10.6 25 37 A I H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.940 108.3 49.1 -58.4 -48.4 -12.4 3.1 -12.3 26 38 A N H X S+ 0 0 87 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.837 111.1 49.6 -59.6 -36.8 -14.1 1.5 -9.3 27 39 A D H < S+ 0 0 85 -4,-1.4 4,-0.4 2,-0.2 -1,-0.2 0.907 112.7 46.2 -70.0 -43.9 -17.0 3.8 -9.7 28 40 A V H >X S+ 0 0 1 -4,-2.5 4,-2.9 1,-0.2 3,-1.4 0.932 112.9 50.0 -61.7 -46.7 -17.4 3.2 -13.4 29 41 A A H 3< S+ 0 0 18 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.725 99.4 65.7 -67.7 -23.4 -17.1 -0.6 -12.9 30 42 A S T 3< S+ 0 0 89 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.675 115.2 30.6 -70.6 -17.5 -19.8 -0.5 -10.2 31 43 A Q T <4 S+ 0 0 99 -3,-1.4 -2,-0.2 -4,-0.4 -1,-0.1 0.790 136.9 24.5-104.9 -51.9 -22.2 0.5 -12.9 32 44 A S S < S- 0 0 2 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.1 -0.889 92.8-147.8-113.5 95.8 -20.7 -1.3 -15.9 33 45 A P - 0 0 50 0, 0.0 -3,-0.1 0, 0.0 16,-0.1 -0.167 23.7 -91.6 -65.5 155.3 -18.7 -4.2 -14.4 34 46 A F + 0 0 28 -5,-0.1 2,-0.3 16,-0.1 16,-0.2 -0.393 50.8 178.9 -58.9 138.4 -15.5 -5.6 -15.9 35 47 A R E -C 49 0A 26 14,-1.9 14,-3.1 -3,-0.1 2,-0.8 -0.993 33.4-121.9-144.3 145.4 -16.2 -8.4 -18.3 36 48 A Q E -C 48 0A 108 -2,-0.3 12,-0.2 12,-0.3 2,-0.1 -0.808 38.6-139.6 -87.0 113.6 -14.1 -10.7 -20.4 37 49 A M E - 0 0 8 -2,-0.8 8,-3.0 10,-0.5 2,-0.5 -0.386 4.7-129.5 -80.0 151.9 -15.3 -10.2 -24.0 38 50 A V E -C 44 0A 66 6,-0.2 6,-0.2 21,-0.1 -1,-0.1 -0.879 20.8-128.9-104.8 128.9 -15.7 -12.9 -26.5 39 51 A T > - 0 0 33 4,-3.0 3,-1.6 -2,-0.5 20,-0.0 -0.214 27.8-106.3 -65.9 160.0 -14.3 -12.6 -30.0 40 52 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 21,-0.0 0.863 124.1 58.4 -51.3 -37.2 -16.4 -13.2 -33.2 41 53 A G T 3 S- 0 0 68 2,-0.1 20,-0.1 1,-0.1 -2,-0.0 0.567 124.4-105.8 -72.4 -12.2 -14.3 -16.4 -33.5 42 54 A G S < S+ 0 0 50 -3,-1.6 2,-0.4 1,-0.3 -1,-0.1 0.538 74.1 132.5 103.8 10.8 -15.6 -17.5 -30.1 43 55 A Y - 0 0 181 1,-0.0 -4,-3.0 0, 0.0 2,-0.4 -0.779 53.7-127.1 -97.8 135.9 -12.6 -17.0 -27.8 44 56 A T E -C 38 0A 88 -2,-0.4 -6,-0.2 -6,-0.2 2,-0.1 -0.677 27.1-123.6 -81.5 129.0 -12.8 -15.3 -24.5 45 57 A M E - 0 0 32 -8,-3.0 71,-0.1 -2,-0.4 -1,-0.1 -0.438 4.9-139.5 -71.3 143.8 -10.2 -12.4 -24.1 46 58 A S E S+ 0 0 40 69,-0.3 65,-0.4 -2,-0.1 2,-0.3 0.803 84.4 81.2 -74.0 -30.9 -7.8 -12.6 -21.1 47 59 A V E S- 0 0 0 68,-0.5 -10,-0.5 63,-0.1 2,-0.4 -0.616 78.3-138.4 -75.4 130.2 -8.2 -8.8 -20.5 48 60 A A E -CD 36 109A 4 61,-2.3 61,-2.9 -2,-0.3 2,-0.3 -0.777 29.5-165.1 -88.5 137.9 -11.3 -7.8 -18.6 49 61 A M E +CD 35 108A 4 -14,-3.1 -14,-1.9 -2,-0.4 2,-0.3 -0.900 24.9 160.3-130.8 149.7 -13.0 -4.7 -20.0 50 62 A T E - D 0 107A 0 57,-1.8 57,-3.3 -2,-0.3 2,-0.3 -0.909 22.2-140.4-147.3 179.0 -15.5 -1.9 -19.4 51 63 A N E - D 0 106A 1 -2,-0.3 2,-0.3 55,-0.2 55,-0.2 -0.960 10.6-170.6-140.1 156.0 -16.1 1.5 -20.9 52 64 A C E + D 0 105A 0 53,-2.3 53,-2.3 -2,-0.3 3,-0.3 -0.934 50.5 44.7-139.8 167.8 -17.1 5.0 -19.9 53 65 A G S S- 0 0 9 25,-2.5 24,-0.2 -2,-0.3 51,-0.2 -0.431 107.1 -44.7 91.0-171.9 -18.1 8.1 -21.9 54 66 A H S S+ 0 0 145 49,-0.3 2,-0.4 -2,-0.1 50,-0.2 0.831 124.4 34.2 -64.9 -37.0 -20.5 8.4 -24.9 55 67 A L - 0 0 31 48,-2.2 50,-0.4 -3,-0.3 2,-0.4 -0.972 65.2-161.3-129.6 136.5 -19.1 5.3 -26.8 56 68 A G E -H 67 0B 0 11,-2.6 11,-2.4 -2,-0.4 2,-0.2 -0.953 21.4-124.2-118.4 133.7 -17.7 2.0 -25.6 57 69 A W E +H 66 0B 24 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.534 44.0 159.8 -69.9 134.1 -15.6 -0.5 -27.5 58 70 A T E -H 65 0B 10 7,-2.1 7,-2.4 -2,-0.2 2,-0.3 -0.986 33.3-130.3-151.1 160.0 -17.2 -4.0 -27.6 59 71 A T E +H 64 0B 15 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.748 28.3 160.1-102.9 158.9 -17.2 -7.3 -29.4 60 72 A H E > -H 63 0B 67 3,-2.0 3,-0.9 -2,-0.3 -2,-0.0 -0.888 57.4 -76.2-156.5-172.9 -20.1 -9.3 -30.7 61 73 A R T 3 S+ 0 0 216 -2,-0.3 3,-0.1 1,-0.2 -19,-0.0 0.866 126.0 50.3 -58.2 -39.4 -20.8 -12.1 -33.2 62 74 A Q T 3 S- 0 0 152 1,-0.1 2,-0.3 -3,-0.0 -1,-0.2 0.575 121.1 -88.6 -82.4 -12.7 -20.5 -9.7 -36.3 63 75 A G E < -H 60 0B 17 -3,-0.9 -3,-2.0 2,-0.0 2,-0.3 -1.000 65.3 -28.9 147.0-144.5 -17.2 -8.1 -35.3 64 76 A Y E +H 59 0B 121 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.848 59.1 162.6-108.5 151.2 -16.1 -5.1 -33.2 65 77 A L E -H 58 0B 61 -7,-2.4 -7,-2.1 -2,-0.3 2,-0.5 -0.991 39.0-117.3-161.1 157.8 -18.0 -1.9 -32.6 66 78 A Y E -H 57 0B 34 -2,-0.3 -9,-0.2 57,-0.2 -11,-0.0 -0.888 37.9-175.6 -95.8 126.0 -18.5 1.3 -30.6 67 79 A S E -H 56 0B 28 -11,-2.4 -11,-2.6 -2,-0.5 10,-0.1 -0.959 33.8-148.2-124.1 140.0 -21.9 1.3 -28.8 68 80 A P S S+ 0 0 74 0, 0.0 9,-1.1 0, 0.0 2,-0.4 0.645 89.2 67.7 -72.3 -14.2 -23.5 4.0 -26.7 69 81 A I B S-I 76 0C 64 7,-0.2 -13,-0.1 -13,-0.1 -2,-0.0 -0.905 84.2-127.9-114.7 132.3 -25.1 1.1 -24.8 70 82 A D > - 0 0 0 5,-2.9 4,-2.9 -2,-0.4 5,-0.4 -0.689 18.0-150.4 -71.8 114.7 -23.5 -1.5 -22.6 71 83 A P T 4 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -13,-0.0 0.696 93.5 53.0 -65.2 -18.0 -24.7 -4.9 -24.0 72 84 A Q T 4 S+ 0 0 104 3,-0.1 -40,-0.0 1,-0.1 -2,-0.0 0.912 123.2 23.1 -80.4 -46.5 -24.4 -6.5 -20.6 73 85 A T T 4 S- 0 0 39 2,-0.2 -1,-0.1 -40,-0.1 -41,-0.0 0.653 91.7-135.9 -93.7 -19.8 -26.5 -3.9 -18.6 74 86 A N S < S+ 0 0 128 -4,-2.9 3,-0.0 1,-0.3 -5,-0.0 0.657 72.8 107.6 63.4 19.7 -28.6 -2.6 -21.5 75 87 A K S S- 0 0 138 -5,-0.4 -5,-2.9 1,-0.1 -1,-0.3 -0.807 83.4 -85.9-114.1 159.3 -27.9 0.9 -20.0 76 88 A P B -I 69 0C 91 0, 0.0 -7,-0.2 0, 0.0 -1,-0.1 -0.272 54.5 -95.6 -55.9 152.1 -25.6 3.6 -21.4 77 89 A W - 0 0 10 -9,-1.1 -25,-0.2 -24,-0.2 3,-0.1 -0.352 55.3 -85.6 -60.1 151.7 -22.0 3.3 -20.3 78 90 A P - 0 0 8 0, 0.0 -25,-2.5 0, 0.0 -1,-0.1 -0.286 54.3 -91.9 -57.4 148.7 -21.2 5.5 -17.2 79 91 A A - 0 0 84 -27,-0.2 3,-0.0 1,-0.1 -25,-0.0 -0.274 49.8 -95.3 -56.7 147.0 -20.3 9.1 -18.0 80 92 A M - 0 0 33 -28,-0.2 -1,-0.1 -3,-0.1 5,-0.0 -0.578 46.7-115.0 -67.4 122.4 -16.6 9.7 -18.4 81 93 A P > - 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