==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 13-DEC-12 4IE0 . COMPND 2 MOLECULE: ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE FTO; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.S.AIK,M.A.MCDONOUGH,C.J.SCHOFIELD . 440 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20212.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 309 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 16.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 33 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 33.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 2 0 1 1 0 0 1 1 1 0 0 0 2 0 0 0 0 0 0 0 0 1 0 0 0 1 1 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 5 0 1 5 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 27 A R 0 0 152 0, 0.0 2,-0.3 0, 0.0 170,-0.1 0.000 360.0 360.0 360.0 156.1 46.0 13.7 -32.0 2 28 A G + 0 0 37 168,-0.1 2,-0.3 221,-0.0 219,-0.1 -0.601 360.0 172.5 -77.9 135.9 43.8 11.2 -30.2 3 29 A S - 0 0 63 -2,-0.3 221,-1.5 217,-0.2 2,-0.3 -0.916 18.7-149.5-138.5 163.3 45.0 10.1 -26.7 4 30 A H E -a 224 0A 22 167,-0.3 2,-0.4 -2,-0.3 221,-0.2 -0.864 11.2-135.6-129.6 167.9 43.8 8.0 -23.8 5 31 A M E +a 225 0A 15 219,-2.1 221,-2.8 -2,-0.3 200,-0.0 -0.948 17.7 176.8-124.5 150.2 44.4 8.0 -20.0 6 32 A T > - 0 0 6 -2,-0.4 3,-3.1 219,-0.2 6,-0.3 -0.817 57.7 -77.5-136.0 173.5 45.1 5.4 -17.5 7 33 A P T 3 S+ 0 0 53 0, 0.0 6,-0.1 0, 0.0 220,-0.1 0.642 122.5 76.0 -53.2 -9.3 45.8 5.5 -13.8 8 34 A K T 3 S+ 0 0 110 4,-0.1 2,-0.3 3,-0.0 3,-0.0 0.648 84.5 75.0 -72.2 -16.0 49.3 6.6 -14.8 9 35 A D S <> S- 0 0 48 -3,-3.1 4,-0.5 1,-0.1 3,-0.3 -0.766 74.3-141.7-104.6 145.9 48.0 10.1 -15.6 10 36 A D H > S+ 0 0 97 -2,-0.3 4,-0.6 1,-0.2 3,-0.3 0.845 105.1 54.5 -71.4 -34.4 47.1 12.7 -13.1 11 37 A E H > S+ 0 0 113 1,-0.2 4,-2.8 2,-0.1 5,-0.3 0.702 88.0 85.8 -68.0 -21.9 44.1 13.9 -15.2 12 38 A F H > S+ 0 0 2 -3,-0.3 4,-2.1 -6,-0.3 -1,-0.2 0.925 90.5 41.9 -48.9 -58.8 42.8 10.3 -15.2 13 39 A Y H X S+ 0 0 133 -4,-0.5 4,-2.4 -3,-0.3 -1,-0.2 0.830 117.3 46.5 -62.2 -36.1 40.9 10.4 -11.9 14 40 A Q H X S+ 0 0 105 -4,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.805 111.7 51.0 -79.6 -28.9 39.4 13.8 -12.5 15 41 A Q H X S+ 0 0 29 -4,-2.8 4,-2.1 2,-0.2 5,-0.3 0.829 112.0 49.7 -70.7 -32.1 38.4 13.0 -16.1 16 42 A W H X S+ 0 0 44 -4,-2.1 4,-1.8 -5,-0.3 -2,-0.2 0.958 113.3 44.6 -67.9 -48.6 36.8 9.9 -14.5 17 43 A Q H < S+ 0 0 145 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.867 120.3 40.3 -67.3 -37.4 35.0 11.9 -11.9 18 44 A L H < S+ 0 0 119 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.863 130.1 18.3 -83.3 -39.1 33.9 14.6 -14.3 19 45 A K H < S+ 0 0 70 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.403 131.0 33.9-123.6 3.1 32.9 12.8 -17.5 20 46 A Y >< + 0 0 1 -4,-1.8 3,-1.7 -5,-0.3 -1,-0.1 -0.197 64.3 139.9-145.4 44.4 32.3 9.1 -16.5 21 47 A P T 3 + 0 0 53 0, 0.0 -4,-0.1 0, 0.0 -5,-0.1 0.609 69.7 63.5 -65.7 -9.1 30.9 9.3 -13.0 22 48 A K T 3 S+ 0 0 40 216,-0.1 216,-2.3 2,-0.0 2,-0.6 0.266 82.8 92.8 -98.4 12.6 28.4 6.5 -13.9 23 49 A L E < -E 237 0B 5 -3,-1.7 2,-0.4 -7,-0.2 214,-0.2 -0.928 61.5-170.2-103.9 117.5 31.3 4.1 -14.4 24 50 A I E -E 236 0B 30 212,-2.3 212,-2.1 -2,-0.6 2,-0.5 -0.855 9.2-163.1-113.6 143.9 32.0 2.2 -11.2 25 51 A L E -E 235 0B 36 -2,-0.4 2,-0.5 210,-0.2 210,-0.2 -0.991 5.9-175.2-127.6 123.5 35.0 -0.0 -10.4 26 52 A R E -E 234 0B 60 208,-2.8 208,-2.7 -2,-0.5 -2,-0.0 -0.969 24.9-137.4-116.0 112.3 35.1 -2.5 -7.6 27 53 A E > - 0 0 119 -2,-0.5 3,-2.1 206,-0.2 4,-0.3 -0.184 29.7 -98.6 -65.7 162.0 38.5 -4.1 -7.3 28 54 A A G > S+ 0 0 22 1,-0.3 3,-2.4 2,-0.2 -1,-0.1 0.824 118.6 70.6 -50.0 -35.4 38.9 -7.8 -6.6 29 55 A S G 3 S+ 0 0 110 1,-0.3 -1,-0.3 4,-0.0 4,-0.1 0.780 89.4 59.5 -53.6 -34.8 39.5 -7.0 -3.0 30 56 A S G < S+ 0 0 56 -3,-2.1 2,-0.5 2,-0.1 -1,-0.3 0.549 94.7 80.0 -74.5 -5.5 35.9 -6.0 -2.4 31 57 A V S < S- 0 0 8 -3,-2.4 5,-0.1 -4,-0.3 -1,-0.0 -0.901 92.0-107.7-110.2 125.2 34.7 -9.5 -3.5 32 58 A S > - 0 0 54 -2,-0.5 4,-1.4 1,-0.1 3,-0.1 -0.066 23.8-128.7 -45.7 146.5 34.9 -12.4 -1.1 33 59 A E H > S+ 0 0 133 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.820 106.5 58.1 -71.8 -32.6 37.6 -14.9 -1.9 34 60 A E H > S+ 0 0 154 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.842 105.6 50.7 -67.7 -32.6 35.3 -17.9 -1.8 35 61 A L H > S+ 0 0 16 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.879 107.5 53.4 -71.4 -37.2 33.2 -16.3 -4.5 36 62 A H H X S+ 0 0 5 -4,-1.4 4,-2.4 2,-0.2 5,-0.3 0.922 110.5 48.8 -57.4 -44.6 36.4 -15.7 -6.5 37 63 A K H X S+ 0 0 39 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.955 113.3 43.4 -63.3 -52.8 37.1 -19.4 -6.2 38 64 A E H X S+ 0 0 79 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.891 117.0 47.3 -62.0 -39.9 33.7 -20.7 -7.2 39 65 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.905 113.6 45.2 -71.1 -43.5 33.4 -18.3 -10.1 40 66 A Q H X S+ 0 0 22 -4,-2.4 4,-2.4 -5,-0.2 5,-0.2 0.925 113.5 50.1 -69.4 -44.4 36.8 -18.9 -11.6 41 67 A E H X S+ 0 0 133 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.904 108.6 54.3 -56.2 -42.6 36.5 -22.6 -11.3 42 68 A A H X S+ 0 0 5 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.909 107.9 49.2 -60.9 -44.7 33.1 -22.3 -13.0 43 69 A F H X S+ 0 0 1 -4,-2.1 4,-2.1 1,-0.2 3,-0.3 0.977 112.9 46.5 -54.4 -58.1 34.7 -20.5 -16.0 44 70 A L H X S+ 0 0 84 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.832 110.8 52.6 -57.3 -35.5 37.4 -23.1 -16.3 45 71 A T H X S+ 0 0 19 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.890 109.0 49.2 -71.3 -37.8 35.0 -26.0 -16.1 46 72 A L H <>S+ 0 0 4 -4,-2.1 5,-2.7 -3,-0.3 6,-0.3 0.850 112.8 48.1 -66.6 -36.6 32.8 -24.5 -18.8 47 73 A H H ><5S+ 0 0 84 -4,-2.1 3,-1.2 3,-0.2 -2,-0.2 0.887 108.2 54.7 -68.2 -39.1 35.8 -24.1 -21.0 48 74 A K H 3<5S+ 0 0 136 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.861 108.2 49.2 -65.4 -33.5 37.0 -27.6 -20.3 49 75 A H T 3<5S- 0 0 57 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.486 116.3-114.4 -84.0 -3.9 33.6 -29.0 -21.5 50 76 A G T < 5 + 0 0 28 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.819 67.8 143.7 75.9 35.0 33.8 -27.0 -24.7 51 77 A C < + 0 0 1 -5,-2.7 2,-0.4 -6,-0.1 -4,-0.2 0.657 44.5 79.2 -85.5 -13.9 30.8 -24.8 -23.8 52 78 A L - 0 0 20 -6,-0.3 2,-0.4 -5,-0.1 19,-0.2 -0.804 59.9-175.3-101.4 133.3 31.9 -21.5 -25.3 53 79 A F B -F 70 0B 9 17,-2.9 17,-3.4 -2,-0.4 2,-0.3 -0.945 29.4-121.3-129.9 146.1 31.6 -20.8 -29.0 54 80 A R - 0 0 91 -2,-0.4 2,-0.4 15,-0.3 15,-0.2 -0.631 40.3-128.6 -72.2 137.7 32.6 -18.1 -31.5 55 81 A D - 0 0 2 13,-0.4 11,-1.9 -2,-0.3 2,-1.9 -0.796 4.3-134.1 -98.8 134.7 29.4 -16.9 -33.2 56 82 A L E +L 65 0C 11 -2,-0.4 9,-0.2 9,-0.2 -1,-0.0 -0.604 48.9 174.9 -78.8 77.7 28.9 -16.7 -36.9 57 83 A V E -L 64 0C 3 -2,-1.9 7,-1.7 7,-1.8 2,-0.4 -0.039 26.2-124.5 -82.5 177.7 27.4 -13.2 -36.5 58 84 A R E +L 63 0C 60 25,-1.4 2,-0.3 5,-0.2 5,-0.2 -0.995 24.7 175.4-131.3 140.2 26.3 -10.7 -39.2 59 85 A I E > -L 62 0C 62 3,-2.4 3,-0.7 -2,-0.4 25,-0.0 -0.891 68.7 -26.8-148.8 112.8 27.4 -7.1 -39.7 60 86 A Q T 3 S- 0 0 187 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.894 128.8 -41.6 49.6 47.9 26.5 -4.7 -42.5 61 87 A G T 3 S+ 0 0 53 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.595 118.0 107.3 85.3 14.5 26.0 -7.5 -44.9 62 88 A K E < -L 59 0C 115 -3,-0.7 -3,-2.4 2,-0.0 2,-0.6 -0.980 64.7-131.6-133.1 135.3 28.9 -9.6 -43.9 63 89 A D E +L 58 0C 36 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.763 33.6 178.9 -86.5 122.8 29.3 -12.9 -42.0 64 90 A L E -L 57 0C 84 -7,-1.7 -7,-1.8 -2,-0.6 2,-0.5 -0.985 26.8-137.5-134.8 126.9 31.9 -12.6 -39.3 65 91 A L E -L 56 0C 37 -2,-0.4 -9,-0.2 -9,-0.2 -11,-0.0 -0.681 33.8-117.9 -76.4 124.0 33.2 -15.1 -36.7 66 92 A T - 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0 0 0 -11,-1.7 -16,-0.3 -2,-0.4 -12,-0.3 -0.478 6.8-139.1 -75.1 142.6 20.2 -19.2 -22.5 90 116 A V E -h 73 0B 3 -18,-2.4 -16,-1.5 -2,-0.1 -1,-0.0 -0.922 49.5-111.6 -85.4 124.9 21.6 -22.3 -21.0 91 117 A P E -h 74 0B 10 0, 0.0 -16,-0.2 0, 0.0 19,-0.1 -0.255 26.9-151.3 -67.9 145.5 19.3 -22.1 -17.9 92 118 A W - 0 0 4 -18,-1.7 2,-3.1 18,-0.1 19,-0.1 -0.757 41.0 -89.4-106.7 162.8 20.5 -21.3 -14.4 93 119 A P + 0 0 67 0, 0.0 4,-0.1 0, 0.0 3,-0.1 -0.208 57.9 170.6 -75.0 56.4 18.6 -22.7 -11.3 94 120 A V > - 0 0 52 -2,-3.1 3,-0.5 -20,-0.2 17,-0.0 -0.377 47.8 -74.9 -64.6 146.9 16.2 -19.8 -10.9 95 121 A K T 3 S+ 0 0 93 1,-0.2 -1,-0.1 -2,-0.0 3,-0.1 0.150 114.6 21.9 -46.0 154.2 13.5 -20.6 -8.3 96 122 A G T 3 S+ 0 0 97 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.736 105.1 108.3 60.0 25.3 10.6 -22.9 -9.0 97 123 A S < - 0 0 54 -3,-0.5 2,-0.3 -4,-0.1 -1,-0.2 -0.880 49.1-164.1-129.8 158.8 12.6 -24.5 -11.8 98 124 A N - 0 0 97 -2,-0.3 2,-0.5 -3,-0.1 -4,-0.0 -0.975 1.9-165.6-144.8 133.2 14.3 -27.8 -12.5 99 125 A I > + 0 0 49 -2,-0.3 3,-0.5 1,-0.1 236,-0.0 -0.841 23.0 160.1-123.6 94.1 16.9 -28.7 -15.2 100 126 A K T 3 S+ 0 0 107 -2,-0.5 -1,-0.1 1,-0.2 7,-0.0 0.255 71.6 83.3 -81.2 9.9 17.5 -32.4 -15.8 101 127 A H T 3 S+ 0 0 15 2,-0.1 -1,-0.2 232,-0.0 233,-0.2 0.736 78.9 63.6 -89.1 -28.2 18.8 -31.0 -19.1 102 128 A T S < S- 0 0 21 -3,-0.5 2,-0.2 231,-0.2 231,-0.2 -0.518 86.1-102.7 -97.5 166.7 22.4 -29.9 -18.1 103 129 A E > - 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