==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-JUL-10 3O1T . COMPND 2 MOLECULE: ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE ALKB; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.YI,G.JIA,G.HOU,Q.DAI,W.ZHANG,G.ZHENG,X.JIAN,C.-G.YANG,Q.CU . 202 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9681.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 128 63.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 30.7 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 . 2 1.0 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 . 15 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 7.9 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 . 2 1.0 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 2 2 1 2 2 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 . 2 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 0 204 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 122.9 19.9 8.0 19.3 2 14 A P - 0 0 98 0, 0.0 6,-0.2 0, 0.0 3,-0.1 -0.285 360.0-111.5 -68.0 156.3 16.1 8.6 19.0 3 15 A L S S- 0 0 10 4,-0.3 2,-0.3 1,-0.2 5,-0.2 0.903 80.0 -46.2 -55.8 -49.8 13.7 5.6 18.9 4 16 A A B > S-A 7 0A 25 3,-1.3 3,-2.5 0, 0.0 2,-0.3 -0.959 79.9 -53.9-169.1 172.0 12.7 6.2 15.3 5 17 A A T 3 S+ 0 0 44 1,-0.3 165,-0.7 -2,-0.3 162,-0.3 -0.483 131.9 3.7 -58.3 121.1 11.5 8.9 12.9 6 18 A G T 3 S+ 0 0 37 -2,-0.3 2,-0.4 1,-0.2 161,-0.3 0.524 116.6 106.6 77.3 5.0 8.6 10.5 14.7 7 19 A A B < +A 4 0A 7 -3,-2.5 -3,-1.3 159,-0.2 2,-0.3 -0.941 41.0 170.2-123.5 142.3 9.2 8.2 17.7 8 20 A V E -B 165 0B 38 157,-2.4 157,-2.8 -2,-0.4 2,-0.5 -0.997 26.4-142.1-146.2 144.2 10.6 9.0 21.1 9 21 A I E -B 164 0B 27 -2,-0.3 2,-0.8 155,-0.2 155,-0.2 -0.963 11.9-163.6-104.9 126.1 11.0 7.4 24.5 10 22 A L E > -B 163 0B 28 153,-3.5 153,-1.9 -2,-0.5 3,-1.7 -0.892 22.6-141.7-105.9 94.7 10.6 9.8 27.4 11 23 A R T 3 S- 0 0 149 -2,-0.8 151,-0.2 1,-0.3 150,-0.1 -0.423 76.2 -9.0 -70.3 130.9 12.1 7.9 30.3 12 24 A R T > S+ 0 0 100 147,-0.3 3,-1.6 -2,-0.2 4,-0.4 0.655 88.7 141.7 58.2 20.3 10.4 8.2 33.6 13 25 A F T < S+ 0 0 51 -3,-1.7 3,-0.3 1,-0.3 4,-0.2 0.875 77.0 36.7 -54.8 -38.9 8.2 10.9 32.1 14 26 A A T 3> S+ 0 0 0 147,-3.4 4,-1.2 -4,-0.3 -1,-0.3 0.200 86.3 107.5-100.9 11.7 5.1 9.6 33.9 15 27 A F T X4 S+ 0 0 102 -3,-1.6 3,-0.7 146,-0.4 4,-0.4 0.945 83.1 43.0 -56.6 -49.4 7.1 8.7 37.1 16 28 A N T 34 S+ 0 0 156 -4,-0.4 3,-0.3 -3,-0.3 4,-0.3 0.841 119.0 44.5 -67.7 -32.3 5.6 11.5 39.1 17 29 A A T 3> S+ 0 0 29 -4,-0.2 4,-2.4 1,-0.2 3,-0.4 0.559 89.1 95.9 -84.5 -8.6 2.1 11.0 37.8 18 30 A A H S+ 0 0 114 -4,-0.4 4,-2.0 -3,-0.3 -1,-0.2 0.924 114.4 43.9 -59.4 -42.9 0.5 6.8 41.5 20 32 A Q H > S+ 0 0 76 -3,-0.4 4,-2.5 -4,-0.3 -2,-0.2 0.907 111.0 54.4 -66.8 -41.4 -2.5 8.8 40.3 21 33 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.912 108.7 49.7 -56.6 -43.3 -2.5 7.0 37.0 22 34 A I H X S+ 0 0 14 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.896 107.7 52.3 -66.8 -39.1 -2.7 3.7 38.8 23 35 A R H X S+ 0 0 127 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.930 112.0 47.9 -58.8 -40.9 -5.5 4.9 41.0 24 36 A D H X S+ 0 0 28 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.871 106.0 55.9 -73.2 -34.8 -7.4 5.8 37.8 25 37 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.931 108.5 49.5 -54.1 -46.7 -6.6 2.5 36.1 26 38 A N H X S+ 0 0 87 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.903 110.3 50.5 -62.9 -38.7 -8.3 0.8 39.1 27 39 A D H < S+ 0 0 86 -4,-1.9 4,-0.5 2,-0.2 3,-0.4 0.933 111.6 47.1 -65.6 -45.3 -11.3 3.2 38.8 28 40 A V H >X S+ 0 0 1 -4,-2.8 4,-2.7 1,-0.2 3,-1.9 0.950 111.9 50.4 -58.8 -48.8 -11.7 2.4 35.1 29 41 A A H 3< S+ 0 0 18 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.687 98.2 67.1 -68.2 -17.3 -11.4 -1.3 35.7 30 42 A S T 3< S+ 0 0 85 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.688 114.5 30.6 -72.2 -17.2 -14.0 -1.1 38.4 31 43 A Q T <4 S+ 0 0 91 -3,-1.9 -2,-0.2 -4,-0.5 -3,-0.1 0.790 135.1 26.0-108.0 -49.2 -16.5 -0.2 35.6 32 44 A S S < S- 0 0 1 -4,-2.7 -1,-0.3 -5,-0.1 19,-0.1 -0.887 93.2-144.0-115.4 97.3 -15.1 -2.1 32.6 33 45 A P - 0 0 51 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.131 22.1 -96.0 -62.8 153.7 -13.1 -5.0 34.1 34 46 A F + 0 0 28 -5,-0.2 2,-0.3 14,-0.1 16,-0.2 -0.473 51.2 177.5 -59.7 135.9 -9.9 -6.3 32.7 35 47 A R B -C 49 0B 24 14,-2.1 14,-3.0 -2,-0.1 2,-0.9 -0.991 35.1-122.9-141.2 147.0 -10.7 -9.2 30.5 36 48 A Q - 0 0 101 -2,-0.3 12,-0.2 12,-0.3 10,-0.1 -0.834 39.8-139.4 -87.0 109.8 -8.5 -11.4 28.4 37 49 A M - 0 0 11 -2,-0.9 8,-3.1 10,-0.4 2,-0.5 -0.308 4.8-126.2 -73.4 153.7 -10.0 -11.0 25.0 38 50 A V B -I 44 0C 70 6,-0.2 6,-0.2 21,-0.1 -1,-0.1 -0.872 24.6-127.1-101.7 127.0 -10.5 -13.9 22.6 39 51 A T > - 0 0 33 4,-3.0 3,-2.3 -2,-0.5 25,-0.1 -0.256 27.1-105.8 -66.3 160.0 -9.1 -13.5 19.1 40 52 A P T 3 S+ 0 0 56 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.889 124.2 57.6 -50.0 -37.3 -11.2 -14.0 16.0 41 53 A G T 3 S- 0 0 67 2,-0.1 20,-0.1 1,-0.1 -2,-0.0 0.526 124.6-103.5 -76.3 -7.8 -9.3 -17.2 15.6 42 54 A G S < S+ 0 0 50 -3,-2.3 2,-0.4 1,-0.3 -1,-0.1 0.564 75.3 129.8 104.8 12.3 -10.3 -18.4 19.0 43 55 A Y - 0 0 181 1,-0.0 -4,-3.0 0, 0.0 2,-0.6 -0.797 55.6-124.8-101.6 141.8 -7.3 -17.9 21.3 44 56 A T B -I 38 0C 88 -2,-0.4 -6,-0.2 -6,-0.2 -7,-0.1 -0.711 27.9-125.0 -87.0 121.7 -7.3 -16.1 24.6 45 57 A M - 0 0 31 -8,-3.1 71,-0.1 -2,-0.6 69,-0.0 -0.265 6.9-138.9 -60.6 148.5 -4.8 -13.3 24.8 46 58 A S S S+ 0 0 40 69,-0.4 65,-0.4 67,-0.1 2,-0.3 0.752 84.6 78.1 -82.8 -25.7 -2.4 -13.4 27.7 47 59 A V S S- 0 0 0 68,-0.4 -10,-0.4 63,-0.1 2,-0.4 -0.669 79.4-137.4 -82.2 134.0 -2.7 -9.7 28.3 48 60 A A E - D 0 109B 4 61,-2.3 61,-3.1 -2,-0.3 2,-0.3 -0.799 30.5-169.1 -89.7 142.0 -5.8 -8.6 30.2 49 61 A M E +CD 35 108B 4 -14,-3.0 -14,-2.1 -2,-0.4 2,-0.3 -0.905 24.6 160.3-135.6 156.1 -7.4 -5.5 28.7 50 62 A T E - D 0 107B 0 57,-1.9 57,-3.2 -2,-0.3 2,-0.3 -0.896 22.2-140.3-154.5 179.5 -10.0 -2.7 29.2 51 63 A N E - D 0 106B 1 -2,-0.3 2,-0.3 55,-0.2 55,-0.2 -0.970 9.4-167.1-141.6 159.4 -10.5 0.8 27.8 52 64 A C E + D 0 105B 0 53,-2.3 53,-2.4 -2,-0.3 3,-0.2 -0.929 51.9 52.6-138.9 169.5 -11.6 4.2 28.7 53 65 A G E S- D 0 104B 8 25,-2.9 24,-0.2 -2,-0.3 51,-0.2 -0.477 105.3 -51.1 96.1-175.1 -12.5 7.2 26.5 54 66 A H S S+ 0 0 154 49,-0.6 2,-0.4 -2,-0.2 23,-0.2 0.836 124.0 36.1 -71.1 -32.6 -15.1 7.4 23.8 55 67 A L B -e 104 0B 30 48,-2.1 50,-0.5 -3,-0.2 2,-0.4 -0.960 65.5-166.4-126.6 140.0 -13.7 4.3 21.9 56 68 A G E -J 67 0D 0 11,-2.3 11,-2.7 -2,-0.4 2,-0.3 -0.973 23.9-120.8-125.8 139.0 -12.3 1.1 23.1 57 69 A W E +J 66 0D 24 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.605 43.1 162.3 -75.6 135.1 -10.3 -1.6 21.2 58 70 A T E -J 65 0D 4 7,-2.1 7,-2.4 -2,-0.3 2,-0.2 -0.990 34.6-123.6-148.4 155.3 -12.0 -5.0 21.3 59 71 A T E -J 64 0D 18 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.615 29.1-179.9 -93.4 163.4 -11.9 -8.3 19.5 60 72 A H E > -J 63 0D 97 3,-2.5 3,-1.2 -2,-0.2 -2,-0.0 -0.935 46.4 -94.7-148.7 170.4 -15.0 -9.8 18.0 61 73 A R T 3 S+ 0 0 212 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.888 126.0 44.7 -53.1 -38.7 -15.8 -13.0 16.0 62 74 A Q T 3 S- 0 0 147 1,-0.1 2,-0.3 -3,-0.0 -1,-0.2 0.449 126.5 -75.5 -92.4 -4.5 -15.4 -11.0 12.8 63 75 A G E < -J 60 0D 20 -3,-1.2 -3,-2.5 2,-0.0 2,-0.3 -0.999 69.8 -35.8 149.2-149.7 -12.2 -9.1 13.6 64 76 A Y E +J 59 0D 126 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.830 53.1 179.7-111.5 157.6 -11.2 -6.2 15.7 65 77 A L E -J 58 0D 97 -7,-2.4 -7,-2.1 -2,-0.3 2,-0.7 -0.993 32.2-133.3-154.5 145.8 -13.2 -3.0 16.3 66 78 A Y E -J 57 0D 27 -2,-0.3 -9,-0.2 -9,-0.2 -2,-0.0 -0.928 42.2-175.6 -95.6 120.9 -13.0 0.3 18.1 67 79 A S E -J 56 0D 14 -11,-2.7 -11,-2.3 -2,-0.7 10,-0.2 -0.941 38.0-144.4-123.7 143.8 -16.4 0.4 19.8 68 80 A P S S+ 0 0 78 0, 0.0 9,-1.1 0, 0.0 2,-0.4 0.658 90.5 63.2 -71.9 -14.5 -18.2 3.1 21.9 69 81 A I E S-K 76 0E 67 7,-0.2 -13,-0.1 -13,-0.1 -2,-0.1 -0.912 84.5-125.7-120.3 135.9 -19.7 0.2 23.9 70 82 A D E >> -K 75 0E 0 5,-3.2 4,-3.5 -2,-0.4 5,-0.5 -0.699 19.3-151.2 -74.7 116.2 -17.9 -2.4 26.1 71 83 A P T 45S+ 0 0 65 0, 0.0 -1,-0.2 0, 0.0 -13,-0.0 0.692 93.6 54.2 -68.4 -16.0 -19.2 -5.7 24.7 72 84 A Q T 45S+ 0 0 107 3,-0.1 -2,-0.0 1,-0.1 -40,-0.0 0.884 124.3 22.2 -81.8 -39.8 -18.8 -7.3 28.1 73 85 A T T 45S- 0 0 35 2,-0.2 -1,-0.1 -3,-0.1 -41,-0.0 0.650 92.3-136.5 -98.7 -19.9 -20.9 -4.8 30.0 74 86 A N T <5S+ 0 0 126 -4,-3.5 3,-0.0 1,-0.3 -5,-0.0 0.676 72.3 107.6 63.3 20.0 -22.9 -3.4 27.1 75 87 A K E - 0 0 18 0, 0.0 4,-2.6 0, 0.0 3,-0.3 -0.286 13.6-126.1 -58.0 141.8 -9.6 10.1 33.4 82 94 A Q H > S+ 0 0 136 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.855 111.4 57.4 -54.0 -37.3 -8.3 13.7 33.5 83 95 A S H > S+ 0 0 16 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.907 109.3 45.5 -61.2 -41.7 -5.0 12.4 34.8 84 96 A F H > S+ 0 0 0 -3,-0.3 4,-3.0 2,-0.2 5,-0.2 0.939 115.0 46.8 -64.5 -50.9 -4.7 10.1 31.7 85 97 A H H X S+ 0 0 70 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.906 115.0 46.2 -62.1 -41.0 -5.7 12.9 29.4 86 98 A N H X S+ 0 0 70 -4,-3.2 4,-2.7 2,-0.2 5,-0.2 0.934 114.1 46.5 -69.7 -44.4 -3.3 15.4 31.0 87 99 A L H X S+ 0 0 4 -4,-2.5 4,-3.0 -5,-0.3 5,-0.3 0.947 113.5 50.1 -62.5 -45.1 -0.3 13.1 31.1 88 100 A C H X S+ 0 0 0 -4,-3.0 4,-3.3 1,-0.2 5,-0.3 0.940 111.0 49.7 -56.6 -47.9 -1.0 12.1 27.5 89 101 A Q H X S+ 0 0 73 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.934 113.1 45.3 -58.2 -48.1 -1.2 15.7 26.5 90 102 A R H X S+ 0 0 113 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.918 115.8 46.4 -63.7 -43.4 2.1 16.6 28.2 91 103 A A H X S+ 0 0 0 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.926 112.5 49.7 -65.7 -44.3 3.9 13.6 26.8 92 104 A A H <>S+ 0 0 1 -4,-3.3 5,-3.7 -5,-0.3 4,-0.3 0.908 112.5 48.7 -60.4 -42.3 2.6 14.1 23.3 93 105 A T H ><5S+ 0 0 61 -4,-2.5 3,-1.4 -5,-0.3 -1,-0.2 0.924 111.2 48.5 -63.8 -44.2 3.7 17.8 23.5 94 106 A A H 3<5S+ 0 0 59 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.801 110.6 53.0 -66.3 -29.0 7.1 16.8 24.8 95 107 A A T 3<5S- 0 0 21 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.424 127.3 -98.1 -88.2 0.1 7.4 14.3 22.0 96 108 A G T < 5S+ 0 0 54 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.676 95.9 107.7 94.3 19.0 6.5 16.9 19.4 97 109 A Y > < + 0 0 44 -5,-3.7 3,-1.3 -6,-0.2 -3,-0.1 -0.551 31.3 159.4-124.9 67.6 2.8 16.2 18.9 98 110 A P T 3 S+ 0 0 73 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 0.689 70.2 53.3 -67.4 -19.6 1.2 19.2 20.6 99 111 A D T 3 S+ 0 0 137 -7,-0.1 2,-0.1 -3,-0.1 -10,-0.0 0.429 73.1 133.4 -98.5 1.5 -2.1 18.8 18.8 100 112 A F < - 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