==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 21-JUL-10 3O1O . 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 . 201 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9642.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 128 63.7 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 . 62 30.8 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 . 16 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 12.9 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 0 1 1 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 . 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 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 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 14 A P 0 0 152 0, 0.0 6,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 163.0 15.6 8.9 19.2 2 15 A L - 0 0 10 4,-0.5 2,-0.3 1,-0.2 5,-0.2 0.895 360.0 -45.7 -55.6 -49.7 13.4 5.8 19.0 3 16 A A B > S-A 6 0A 29 3,-1.3 3,-2.3 0, 0.0 2,-0.3 -0.947 83.3 -50.3-167.1 175.5 12.5 6.3 15.3 4 17 A A T 3 S+ 0 0 49 1,-0.3 165,-0.7 -2,-0.3 162,-0.3 -0.482 132.4 3.0 -58.7 121.1 11.3 9.0 13.0 5 18 A G T 3 S+ 0 0 37 -2,-0.3 161,-0.4 1,-0.2 2,-0.4 0.511 116.4 106.2 76.8 5.5 8.3 10.6 14.8 6 19 A A B < +A 3 0A 6 -3,-2.3 -3,-1.3 159,-0.2 -4,-0.5 -0.933 39.3 165.9-124.6 143.1 8.9 8.3 17.8 7 20 A V E -B 164 0B 40 157,-2.4 157,-2.6 -2,-0.4 2,-0.5 -0.998 28.3-137.8-148.8 147.2 10.3 9.0 21.3 8 21 A I E -B 163 0B 23 -2,-0.3 2,-0.8 155,-0.2 155,-0.2 -0.959 12.5-161.0-104.6 130.1 10.5 7.4 24.7 9 22 A L E > -B 162 0B 29 153,-3.5 153,-2.1 -2,-0.5 3,-1.7 -0.883 21.6-142.0-106.1 94.9 10.0 9.8 27.6 10 23 A R T 3 S- 0 0 151 -2,-0.8 151,-0.1 1,-0.3 150,-0.1 -0.401 75.4 -9.5 -71.3 130.2 11.5 7.9 30.5 11 24 A R T > S+ 0 0 100 147,-0.2 3,-1.6 -2,-0.1 4,-0.4 0.636 87.1 141.7 60.0 20.0 9.7 8.2 33.8 12 25 A F T < S+ 0 0 52 -3,-1.7 3,-0.3 1,-0.3 149,-0.2 0.858 75.9 37.6 -56.2 -39.3 7.5 10.9 32.3 13 26 A A T 3> S+ 0 0 0 147,-3.4 4,-1.3 -4,-0.3 -1,-0.3 0.194 84.8 106.9-100.0 12.9 4.4 9.6 34.2 14 27 A F T <4 S+ 0 0 104 -3,-1.6 4,-0.4 146,-0.4 3,-0.4 0.923 83.1 44.1 -57.2 -46.8 6.2 8.6 37.4 15 28 A N T 4 S+ 0 0 154 -4,-0.4 3,-0.3 -3,-0.3 4,-0.3 0.847 117.7 44.9 -68.4 -32.0 4.8 11.5 39.4 16 29 A A T > S+ 0 0 27 -4,-0.2 4,-2.3 1,-0.2 3,-0.5 0.638 88.3 95.7 -84.8 -12.8 1.3 11.0 38.0 17 30 A A H X S+ 0 0 0 -4,-1.3 4,-2.5 -3,-0.4 5,-0.2 0.791 76.7 53.4 -55.8 -45.4 1.3 7.2 38.4 18 31 A E H > S+ 0 0 116 -4,-0.4 4,-2.3 -3,-0.3 -1,-0.2 0.940 114.1 43.2 -57.2 -46.4 -0.5 6.8 41.8 19 32 A Q H > S+ 0 0 79 -3,-0.5 4,-2.4 -4,-0.3 -2,-0.2 0.916 112.0 54.5 -64.9 -41.1 -3.5 8.9 40.6 20 33 A L H X S+ 0 0 1 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.902 109.0 49.0 -57.2 -40.7 -3.4 7.0 37.3 21 34 A I H X S+ 0 0 15 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.915 107.8 51.6 -71.4 -40.1 -3.6 3.8 39.2 22 35 A R H X S+ 0 0 132 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.912 112.7 49.7 -57.5 -38.2 -6.5 4.9 41.4 23 36 A D H X S+ 0 0 27 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.838 104.8 54.8 -73.3 -32.8 -8.2 5.9 38.1 24 37 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.934 109.1 49.9 -60.8 -44.5 -7.5 2.5 36.5 25 38 A N H X S+ 0 0 87 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.880 109.7 50.7 -62.0 -37.1 -9.3 0.9 39.4 26 39 A D H X S+ 0 0 89 -4,-1.7 4,-0.6 2,-0.2 3,-0.4 0.922 111.3 47.5 -67.2 -43.5 -12.2 3.2 39.1 27 40 A V H >X S+ 0 0 2 -4,-2.4 4,-3.0 1,-0.2 3,-1.4 0.928 111.5 50.7 -61.1 -46.3 -12.6 2.5 35.4 28 41 A A H 3< S+ 0 0 20 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.682 98.8 66.3 -68.7 -16.4 -12.3 -1.3 36.0 29 42 A S H 3< S+ 0 0 84 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.765 114.8 30.0 -74.5 -21.1 -15.0 -1.1 38.6 30 43 A Q H << S+ 0 0 95 -3,-1.4 -2,-0.2 -4,-0.6 -3,-0.1 0.849 136.7 25.0-102.5 -49.9 -17.4 -0.1 35.9 31 44 A S S < S- 0 0 2 -4,-3.0 -1,-0.3 -5,-0.1 -2,-0.1 -0.871 91.8-145.9-114.4 97.9 -15.9 -2.0 32.9 32 45 A P - 0 0 50 0, 0.0 -3,-0.1 0, 0.0 16,-0.1 -0.092 23.3 -94.2 -65.0 155.5 -14.0 -4.9 34.4 33 46 A F + 0 0 28 -5,-0.1 2,-0.3 16,-0.1 16,-0.2 -0.403 50.2 178.9 -60.5 140.9 -10.8 -6.2 32.9 34 47 A R B -C 48 0B 27 14,-2.1 14,-3.1 -3,-0.1 2,-0.8 -0.993 33.0-124.5-143.8 144.4 -11.4 -9.2 30.6 35 48 A Q - 0 0 102 -2,-0.3 12,-0.2 12,-0.3 2,-0.1 -0.814 38.6-139.6 -84.0 114.2 -9.2 -11.4 28.5 36 49 A M - 0 0 13 -2,-0.8 8,-3.4 10,-0.5 2,-0.5 -0.356 3.1-128.4 -77.4 156.1 -10.6 -11.1 25.1 37 50 A V B -H 43 0C 72 6,-0.2 6,-0.2 21,-0.1 -1,-0.1 -0.876 24.6-128.4-102.5 129.4 -11.0 -14.0 22.6 38 51 A T > - 0 0 33 4,-2.7 3,-1.7 -2,-0.5 25,-0.0 -0.259 27.7-104.1 -69.4 164.6 -9.6 -13.4 19.1 39 52 A P T 3 S+ 0 0 56 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.894 124.8 58.6 -52.8 -37.8 -11.6 -14.1 16.0 40 53 A G T 3 S- 0 0 66 2,-0.1 20,-0.1 1,-0.1 21,-0.0 0.576 123.3-105.6 -72.3 -11.4 -9.6 -17.3 15.7 41 54 A G S < S+ 0 0 49 -3,-1.7 2,-0.4 1,-0.3 -1,-0.1 0.532 74.7 130.9 104.8 10.1 -10.8 -18.5 19.1 42 55 A Y - 0 0 183 1,-0.0 -4,-2.7 0, 0.0 2,-0.4 -0.789 55.6-126.2-100.3 135.1 -7.8 -17.9 21.4 43 56 A T B -H 37 0C 88 -2,-0.4 -6,-0.2 -6,-0.2 -7,-0.1 -0.655 29.2-123.6 -80.3 127.1 -8.0 -16.1 24.7 44 57 A M - 0 0 29 -8,-3.4 71,-0.1 -2,-0.4 -1,-0.1 -0.347 6.0-138.3 -69.6 150.7 -5.5 -13.3 24.9 45 58 A S S S+ 0 0 41 69,-0.3 65,-0.4 67,-0.1 2,-0.3 0.808 84.7 78.3 -79.6 -28.8 -3.0 -13.4 27.8 46 59 A V S S- 0 0 0 68,-0.4 -10,-0.5 63,-0.1 2,-0.4 -0.596 78.7-137.7 -78.9 136.7 -3.4 -9.6 28.4 47 60 A A E - D 0 108B 4 61,-2.4 61,-3.1 -2,-0.3 2,-0.3 -0.824 30.4-167.4 -92.2 139.2 -6.5 -8.6 30.3 48 61 A M E +CD 34 107B 3 -14,-3.1 -14,-2.1 -2,-0.4 2,-0.3 -0.855 25.4 160.2-128.9 156.7 -8.1 -5.4 28.9 49 62 A T E - D 0 106B 0 57,-1.6 57,-3.1 -2,-0.3 2,-0.3 -0.912 22.4-142.5-152.7-178.8 -10.7 -2.7 29.4 50 63 A N E - D 0 105B 1 -2,-0.3 2,-0.3 55,-0.2 55,-0.2 -0.963 9.6-167.0-144.1 161.7 -11.2 0.8 27.9 51 64 A C E + D 0 104B 0 53,-2.2 53,-2.4 -2,-0.3 3,-0.3 -0.930 51.2 48.6-144.2 170.4 -12.3 4.3 28.7 52 65 A G E S- D 0 103B 9 25,-2.4 24,-0.2 -2,-0.3 51,-0.2 -0.465 106.8 -48.4 91.2-171.8 -13.2 7.3 26.7 53 66 A H S S+ 0 0 150 49,-0.6 2,-0.4 -2,-0.2 23,-0.2 0.858 124.0 39.2 -68.3 -37.6 -15.6 7.4 23.8 54 67 A L - 0 0 30 48,-2.2 50,-0.5 -3,-0.3 2,-0.4 -0.947 64.0-166.6-124.2 137.1 -14.2 4.3 21.9 55 68 A G E -I 66 0D 0 11,-2.6 11,-2.6 -2,-0.4 2,-0.3 -0.958 24.8-121.0-121.3 136.1 -12.8 1.0 23.2 56 69 A W E +I 65 0D 30 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.576 44.4 162.6 -70.6 132.0 -10.8 -1.6 21.3 57 70 A T E -I 64 0D 5 7,-2.1 7,-2.5 -2,-0.3 2,-0.3 -0.988 33.3-130.5-144.6 154.3 -12.6 -5.0 21.3 58 71 A T E +I 63 0D 20 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.690 26.5 177.8 -92.0 158.2 -12.5 -8.3 19.4 59 72 A H E > -I 62 0D 60 3,-2.9 3,-1.1 -2,-0.3 -2,-0.0 -0.886 48.0 -85.4-142.8-177.5 -15.6 -9.8 18.0 60 73 A R T 3 S+ 0 0 221 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.809 125.8 41.1 -59.1 -30.9 -16.2 -12.9 16.0 61 74 A Q T 3 S- 0 0 162 1,-0.2 2,-0.3 -21,-0.0 -1,-0.2 0.391 125.9 -67.8-106.7 6.3 -15.5 -11.2 12.7 62 75 A G E < S-I 59 0D 16 -3,-1.1 -3,-2.9 2,-0.0 2,-0.3 -0.999 71.5 -34.8 152.2-151.9 -12.5 -9.1 13.6 63 76 A Y E -I 58 0D 120 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.756 50.7-176.6-104.7 160.0 -11.5 -6.2 15.7 64 77 A L E -I 57 0D 89 -7,-2.5 -7,-2.1 -2,-0.3 2,-0.7 -0.970 29.4-140.9-157.3 134.0 -13.6 -3.1 16.4 65 78 A Y E +I 56 0D 33 -2,-0.3 -9,-0.2 -9,-0.2 -2,-0.0 -0.905 42.2 179.0 -89.3 114.9 -13.4 0.2 18.2 66 79 A S E -I 55 0D 15 -11,-2.6 -11,-2.6 -2,-0.7 10,-0.1 -0.920 40.5-140.3-124.1 148.4 -16.8 0.4 19.7 67 80 A P S S+ 0 0 79 0, 0.0 9,-1.0 0, 0.0 2,-0.4 0.560 88.5 67.7 -75.3 -9.8 -18.6 3.0 21.9 68 81 A I E S-J 75 0E 67 7,-0.2 -13,-0.1 -13,-0.1 -2,-0.1 -0.928 82.9-126.0-121.9 134.5 -20.2 0.2 23.9 69 82 A D E >> -J 74 0E 0 5,-3.2 4,-3.2 -2,-0.4 5,-0.5 -0.693 19.8-152.6 -74.3 115.5 -18.6 -2.4 26.3 70 83 A P T 45S+ 0 0 70 0, 0.0 -1,-0.2 0, 0.0 -13,-0.0 0.722 92.2 54.1 -70.3 -16.4 -19.9 -5.7 24.8 71 84 A Q T 45S+ 0 0 107 1,-0.1 -2,-0.0 3,-0.1 -40,-0.0 0.869 124.0 21.7 -81.1 -37.7 -19.6 -7.3 28.2 72 85 A T T 45S- 0 0 40 -3,-0.3 -1,-0.1 2,-0.2 -41,-0.0 0.634 92.6-134.9-102.3 -18.2 -21.7 -4.8 30.2 73 86 A N T <5S+ 0 0 123 -4,-3.2 3,-0.0 1,-0.3 -5,-0.0 0.732 72.2 107.5 62.9 25.3 -23.7 -3.4 27.2 74 87 A K E - 0 0 18 0, 0.0 4,-2.5 0, 0.0 3,-0.4 -0.275 14.4-125.9 -56.3 140.8 -10.4 10.1 33.6 81 94 A Q H > S+ 0 0 143 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.858 112.0 58.6 -56.6 -35.8 -9.2 13.7 33.6 82 95 A S H > S+ 0 0 16 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.905 108.5 45.3 -58.8 -43.0 -5.8 12.4 35.0 83 96 A F H > S+ 0 0 0 -3,-0.4 4,-2.8 2,-0.2 5,-0.2 0.950 114.3 47.8 -63.0 -52.2 -5.5 10.2 32.0 84 97 A H H X S+ 0 0 68 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.900 113.1 48.2 -61.4 -40.6 -6.4 12.9 29.6 85 98 A N H X S+ 0 0 76 -4,-3.0 4,-2.3 -5,-0.2 -1,-0.2 0.932 112.7 46.9 -68.1 -45.2 -4.1 15.4 31.2 86 99 A L H X S+ 0 0 3 -4,-2.2 4,-2.8 -5,-0.2 5,-0.2 0.938 111.9 51.5 -60.1 -47.2 -1.1 13.1 31.3 87 100 A C H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.941 109.7 49.7 -53.7 -50.8 -1.6 12.1 27.6 88 101 A Q H X S+ 0 0 71 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.908 112.7 46.0 -57.4 -47.9 -1.8 15.8 26.6 89 102 A R H X S+ 0 0 109 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.921 114.9 47.9 -59.7 -44.6 1.5 16.7 28.4 90 103 A A H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.933 111.8 48.7 -65.7 -45.5 3.2 13.6 27.0 91 104 A A H <>S+ 0 0 1 -4,-3.0 5,-3.6 -5,-0.2 -1,-0.2 0.897 111.9 50.1 -62.1 -40.9 2.1 14.2 23.4 92 105 A T H ><5S+ 0 0 60 -4,-2.2 3,-1.8 -5,-0.3 -2,-0.2 0.946 110.5 48.2 -62.9 -47.6 3.2 17.8 23.6 93 106 A A H 3<5S+ 0 0 61 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.811 109.7 54.6 -61.5 -30.3 6.7 16.9 25.0 94 107 A A T 3<5S- 0 0 21 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.422 127.6 -99.0 -86.7 -0.2 6.9 14.3 22.2 95 108 A G T < 5S+ 0 0 55 -3,-1.8 -3,-0.2 -4,-0.2 -2,-0.1 0.661 96.6 108.1 93.1 18.2 6.2 17.0 19.6 96 109 A Y > < + 0 0 43 -5,-3.6 3,-1.6 -6,-0.2 -4,-0.2 -0.498 31.1 158.2-121.2 62.5 2.5 16.2 19.1 97 110 A P T 3 + 0 0 70 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 0.680 69.4 55.9 -63.6 -18.9 0.9 19.2 20.7 98 111 A D T 3 S+ 0 0 144 -7,-0.1 2,-0.1 -3,-0.1 -10,-0.0 0.422 73.3 132.9 -96.5 1.6 -2.4 18.9 18.8 99 112 A F < - 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