==== 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 4IE5 . COMPND 2 MOLECULE: ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE FTO; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.S.AIK,M.A.MCDONOUGH,C.J.SCHOFIELD . 441 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20473.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 317 71.9 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 . 73 16.6 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 . 28 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 1 1 1 1 1 0 0 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 2 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 . 3 1 1 3 1 4 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 0 0 1 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,-0.1 0, 0.0 170,-0.1 0.000 360.0 360.0 360.0 152.3 46.0 13.3 -31.9 2 28 A G - 0 0 37 168,-0.2 2,-0.3 221,-0.0 219,-0.1 -0.410 360.0-176.7 -65.6 148.5 43.4 11.3 -30.0 3 29 A S - 0 0 62 217,-0.2 221,-1.6 218,-0.2 2,-0.3 -0.889 16.4-142.8-141.3 169.0 44.6 10.0 -26.6 4 30 A H E -a 224 0A 25 -2,-0.3 2,-0.4 219,-0.2 221,-0.2 -0.921 10.5-135.3-133.5 165.9 43.6 8.0 -23.6 5 31 A M E +a 225 0A 16 219,-2.4 221,-2.5 -2,-0.3 200,-0.0 -0.934 19.1 174.9-120.2 144.1 44.1 8.0 -19.8 6 32 A T > - 0 0 11 -2,-0.4 3,-2.7 219,-0.2 6,-0.3 -0.790 55.8 -81.5-130.6 176.0 44.9 5.3 -17.4 7 33 A P T 3 S+ 0 0 54 0, 0.0 6,-0.1 0, 0.0 5,-0.1 0.712 124.8 69.7 -53.1 -17.5 45.7 5.3 -13.6 8 34 A K T 3 S+ 0 0 87 4,-0.1 2,-0.4 3,-0.0 -3,-0.0 0.715 84.9 84.6 -74.7 -17.8 49.2 6.4 -14.6 9 35 A D S X S- 0 0 57 -3,-2.7 3,-1.7 1,-0.1 4,-0.4 -0.709 75.8-140.5 -92.9 135.2 47.9 9.8 -15.7 10 36 A D T 3 S+ 0 0 170 -2,-0.4 4,-0.4 1,-0.3 3,-0.4 0.837 104.1 50.8 -61.8 -31.2 47.4 12.6 -13.1 11 37 A E T 3> S+ 0 0 109 1,-0.2 4,-2.2 2,-0.1 -1,-0.3 0.487 84.8 93.1 -83.6 -6.1 44.1 13.6 -14.8 12 38 A F H <> S+ 0 0 1 -3,-1.7 4,-2.0 -6,-0.3 -1,-0.2 0.915 85.4 45.6 -56.5 -48.0 42.6 10.1 -14.9 13 39 A Y H > S+ 0 0 142 -4,-0.4 4,-2.2 -3,-0.4 -1,-0.2 0.926 114.7 44.8 -70.8 -42.2 40.7 10.4 -11.6 14 40 A Q H > S+ 0 0 108 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.854 113.7 51.7 -72.4 -28.7 39.2 13.8 -12.2 15 41 A Q H X>S+ 0 0 28 -4,-2.2 4,-2.6 2,-0.2 5,-0.6 0.852 107.7 51.9 -72.8 -32.7 38.3 12.8 -15.7 16 42 A W H X5S+ 0 0 38 -4,-2.0 4,-1.4 -5,-0.2 7,-0.2 0.944 114.2 43.7 -64.5 -47.3 36.6 9.6 -14.5 17 43 A Q H <5S+ 0 0 145 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.863 121.3 40.0 -64.9 -37.6 34.6 11.7 -12.0 18 44 A L H <5S+ 0 0 114 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.858 131.8 15.6 -82.2 -39.0 33.7 14.4 -14.6 19 45 A K H <5S+ 0 0 84 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.488 133.6 33.2-121.4 -11.6 33.0 12.6 -17.8 20 46 A Y ><< + 0 0 0 -4,-1.4 3,-1.6 -5,-0.6 -2,-0.1 -0.079 66.0 137.4-139.2 39.5 32.5 9.0 -16.8 21 47 A P T 3 + 0 0 52 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.739 66.0 64.9 -66.6 -24.0 30.8 9.0 -13.4 22 48 A K T 3 S+ 0 0 34 216,-0.1 216,-2.5 -3,-0.1 2,-0.6 0.351 84.5 94.1 -82.1 8.4 28.2 6.2 -14.1 23 49 A L E < -F 237 0B 4 -3,-1.6 2,-0.4 -7,-0.2 214,-0.2 -0.905 60.6-171.8 -97.0 125.6 31.2 3.8 -14.5 24 50 A I E -F 236 0B 30 212,-2.3 212,-2.7 -2,-0.6 2,-0.4 -0.902 10.7-158.5-124.3 145.2 32.0 2.0 -11.3 25 51 A L E -F 235 0B 38 -2,-0.4 2,-0.6 210,-0.2 210,-0.2 -0.988 6.3-173.0-127.9 124.9 34.9 -0.3 -10.4 26 52 A R E -F 234 0B 53 208,-2.9 208,-2.8 -2,-0.4 -2,-0.0 -0.952 25.1-139.8-117.2 107.2 34.9 -2.8 -7.6 27 53 A E > - 0 0 112 -2,-0.6 3,-2.1 206,-0.2 4,-0.3 -0.176 27.3-100.9 -68.5 161.1 38.4 -4.3 -7.3 28 54 A A G > S+ 0 0 23 1,-0.3 3,-1.9 2,-0.2 -1,-0.1 0.784 116.9 69.6 -52.9 -31.2 39.0 -8.0 -6.7 29 55 A S G 3 S+ 0 0 115 1,-0.3 -1,-0.3 4,-0.0 4,-0.1 0.779 90.2 60.2 -57.5 -32.6 39.6 -7.2 -3.0 30 56 A S G < S+ 0 0 56 -3,-2.1 2,-0.4 2,-0.1 -1,-0.3 0.515 95.6 75.5 -77.6 -6.3 36.0 -6.4 -2.4 31 57 A V S < S- 0 0 8 -3,-1.9 5,-0.1 -4,-0.3 202,-0.0 -0.920 92.5-105.8-111.0 132.3 35.0 -9.9 -3.5 32 58 A S > - 0 0 65 -2,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.125 18.4-126.1 -58.0 147.5 35.5 -12.9 -1.1 33 59 A E H > S+ 0 0 82 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.852 111.1 58.4 -58.6 -35.3 38.3 -15.4 -1.8 34 60 A E H > S+ 0 0 72 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.922 107.6 44.0 -61.5 -47.2 35.6 -18.1 -1.7 35 61 A L H > S+ 0 0 15 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.868 111.7 53.2 -68.3 -38.9 33.6 -16.6 -4.5 36 62 A H H X S+ 0 0 25 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.919 110.4 49.0 -58.5 -45.2 36.6 -15.9 -6.6 37 63 A K H X S+ 0 0 57 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.943 113.7 44.5 -62.4 -50.1 37.7 -19.5 -6.3 38 64 A E H X S+ 0 0 54 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.932 114.9 46.7 -61.0 -50.4 34.2 -20.9 -7.3 39 65 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.879 113.2 49.2 -61.4 -41.4 33.6 -18.5 -10.2 40 66 A Q H X S+ 0 0 26 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.908 111.2 48.7 -69.6 -40.7 37.1 -19.1 -11.6 41 67 A E H X S+ 0 0 121 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.843 110.0 54.3 -63.1 -32.9 36.8 -22.9 -11.3 42 68 A A H X S+ 0 0 4 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.933 107.5 48.5 -68.8 -44.7 33.4 -22.5 -13.1 43 69 A F H X S+ 0 0 2 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.944 113.7 47.5 -54.8 -49.9 35.0 -20.6 -16.0 44 70 A L H X S+ 0 0 84 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.862 110.0 53.5 -65.3 -32.8 37.7 -23.3 -16.3 45 71 A T H X S+ 0 0 27 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.948 109.3 46.7 -66.4 -47.2 35.1 -26.1 -16.1 46 72 A L H <>S+ 0 0 1 -4,-2.4 5,-2.8 1,-0.2 6,-0.4 0.846 112.6 51.2 -66.8 -33.0 33.0 -24.6 -19.0 47 73 A H H ><5S+ 0 0 83 -4,-2.1 3,-1.6 -5,-0.2 -1,-0.2 0.944 109.4 50.2 -64.9 -46.8 36.2 -24.2 -21.0 48 74 A K H 3<5S+ 0 0 136 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.881 109.0 50.1 -61.9 -42.7 37.2 -27.8 -20.4 49 75 A H T 3<5S- 0 0 56 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.373 115.6-118.0 -77.8 3.6 33.8 -29.2 -21.5 50 76 A G T < 5 + 0 0 27 -3,-1.6 -3,-0.2 -5,-0.2 -2,-0.1 0.829 65.0 145.3 68.5 35.6 34.1 -27.1 -24.6 51 77 A C < + 0 0 1 -5,-2.8 2,-0.5 -6,-0.1 -4,-0.2 0.495 43.1 83.3 -89.1 -4.3 31.0 -25.0 -23.9 52 78 A L - 0 0 23 -6,-0.4 2,-0.4 -5,-0.2 19,-0.2 -0.878 56.8-176.9-106.5 134.5 32.1 -21.7 -25.3 53 79 A F E -G 70 0B 11 17,-2.5 17,-2.4 -2,-0.5 2,-0.2 -0.971 31.3-115.0-130.1 139.5 31.8 -21.0 -29.1 54 80 A R E -G 69 0B 89 -2,-0.4 2,-0.4 15,-0.3 15,-0.2 -0.507 41.6-126.6 -62.3 139.0 32.7 -18.2 -31.4 55 81 A D E - 0 0 0 13,-0.6 11,-2.8 -2,-0.2 2,-1.1 -0.785 3.2-139.8 -98.6 135.7 29.5 -16.7 -32.7 56 82 A L E +G 65 0B 8 -2,-0.4 9,-0.2 9,-0.2 2,-0.1 -0.806 43.5 166.3 -93.2 90.5 28.9 -16.3 -36.4 57 83 A V E -G 64 0B 2 7,-2.3 7,-2.0 -2,-1.1 2,-0.4 -0.295 34.3-118.7-100.2-175.8 27.2 -12.9 -36.3 58 84 A R E +G 63 0B 53 25,-1.8 2,-0.4 5,-0.2 5,-0.2 -0.989 28.1 175.2-134.9 127.4 26.3 -10.3 -38.9 59 85 A I E > S-G 62 0B 65 3,-2.5 3,-2.1 -2,-0.4 -2,-0.0 -0.995 70.4 -16.7-139.2 123.7 27.7 -6.7 -38.9 60 86 A Q T 3 S- 0 0 180 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.880 129.5 -50.6 44.7 45.1 27.1 -4.1 -41.6 61 87 A G T 3 S+ 0 0 54 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.526 115.4 113.1 80.9 4.9 26.0 -6.8 -44.0 62 88 A K E < -G 59 0B 141 -3,-2.1 -3,-2.5 2,-0.0 2,-0.6 -0.904 65.8-127.2-117.8 141.7 29.0 -9.1 -43.4 63 89 A D E +G 58 0B 42 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.759 38.2 176.8 -85.0 117.6 29.2 -12.6 -41.8 64 90 A L E -G 57 0B 87 -7,-2.0 -7,-2.3 -2,-0.6 2,-0.6 -0.980 30.6-138.5-133.1 134.0 31.9 -12.5 -39.2 65 91 A L E -G 56 0B 29 -2,-0.4 -9,-0.2 -9,-0.2 -11,-0.0 -0.815 34.9-121.8 -87.1 120.5 33.1 -15.0 -36.7 66 92 A T E - 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0 0 1 -11,-2.3 -16,-0.2 -2,-0.4 -12,-0.2 -0.279 7.8-141.2 -67.7 139.3 20.2 -19.6 -22.4 90 116 A V E -i 73 0B 7 -18,-2.8 -16,-2.1 -14,-0.1 2,-0.1 -0.908 50.5-112.9 -80.2 120.5 21.9 -22.6 -20.9 91 117 A P E -i 74 0B 24 0, 0.0 -16,-0.2 0, 0.0 18,-0.1 -0.344 26.9-153.6 -73.2 137.2 19.6 -22.6 -17.8 92 118 A W - 0 0 2 -18,-2.0 2,-2.6 -2,-0.1 18,-0.1 -0.728 40.1 -94.3 -97.9 156.8 20.7 -21.7 -14.3 93 119 A P + 0 0 63 0, 0.0 4,-0.1 0, 0.0 3,-0.1 -0.325 53.8 176.1 -74.6 62.6 18.8 -23.2 -11.4 94 120 A V > - 0 0 27 -2,-2.6 3,-0.8 -20,-0.2 16,-0.0 -0.365 45.8 -79.8 -64.3 146.3 16.4 -20.3 -10.7 95 121 A K T 3 S+ 0 0 107 1,-0.3 -1,-0.1 -2,-0.0 3,-0.1 -0.083 117.5 22.4 -55.7 144.2 13.9 -21.1 -8.0 96 122 A G T 3 S+ 0 0 92 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.780 94.5 132.8 65.1 26.3 10.8 -23.1 -9.0 97 123 A S < - 0 0 51 -3,-0.8 2,-0.3 -4,-0.1 -1,-0.3 -0.811 54.0-122.8-102.6 151.7 12.8 -24.5 -11.9 98 124 A N 0 0 96 -2,-0.3 -4,-0.1 1,-0.1 -3,-0.0 -0.718 360.0 360.0-101.8 146.8 12.9 -28.3 -12.6 99 125 A I 0 0 149 -2,-0.3 -1,-0.1 -6,-0.0 -2,-0.0 -0.269 360.0 360.0 73.6 360.0 16.0 -30.5 -12.9 100 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 101 128 A T 0 0 89 0, 0.0 2,-0.4 0, 0.0 232,-0.1 0.000 360.0 360.0 360.0 -9.5 22.3 -30.6 -17.2 102 129 A E > - 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