==== 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 4IE7 . COMPND 2 MOLECULE: ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE FTO; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.S.AIK,M.A.MCDONOUGH,C.J.SCHOFIELD . 439 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20369.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 313 71.3 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 . 76 17.3 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 . 27 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.6 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 0 1 1 1 0 1 0 1 0 0 0 2 0 0 0 0 0 0 0 0 1 0 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 2 2 3 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 . 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, 0.0 169,-0.1 0.000 360.0 360.0 360.0 150.9 45.9 13.4 -32.2 2 28 A G - 0 0 32 167,-0.3 2,-0.3 220,-0.0 218,-0.1 -0.473 360.0-169.2 -69.7 148.3 43.2 11.6 -30.1 3 29 A S - 0 0 60 217,-0.3 220,-1.5 216,-0.2 2,-0.3 -0.874 12.8-144.4-137.8 169.1 44.6 10.3 -26.8 4 30 A H E -a 223 0A 26 166,-0.3 2,-0.4 -2,-0.3 220,-0.2 -0.906 7.3-139.5-135.7 166.3 43.7 8.1 -23.8 5 31 A M E +a 224 0A 14 218,-2.1 220,-2.7 -2,-0.3 199,-0.0 -0.954 14.4 176.9-127.2 143.3 44.3 7.9 -20.0 6 32 A T > - 0 0 11 -2,-0.4 3,-2.0 218,-0.2 6,-0.2 -0.759 57.3 -80.2-126.9 177.3 45.0 5.2 -17.5 7 33 A P T 3 S+ 0 0 51 0, 0.0 6,-0.1 0, 0.0 5,-0.1 0.632 122.9 71.4 -56.3 -13.0 45.6 5.5 -13.8 8 34 A K T 3 S+ 0 0 88 195,-0.1 2,-0.2 4,-0.1 196,-0.0 0.803 83.4 87.8 -73.1 -26.1 49.3 6.5 -14.5 9 35 A D S X S- 0 0 60 -3,-2.0 3,-1.5 1,-0.1 4,-0.4 -0.501 77.7-136.6 -79.9 138.4 48.0 9.9 -15.7 10 36 A D T 3 S+ 0 0 161 1,-0.3 3,-0.4 -2,-0.2 4,-0.4 0.895 105.8 49.3 -53.3 -44.6 47.4 12.8 -13.4 11 37 A E T 3> S+ 0 0 109 1,-0.2 4,-2.0 2,-0.1 -1,-0.3 0.405 86.2 96.0 -81.8 2.9 44.1 13.7 -15.0 12 38 A F H <> S+ 0 0 1 -3,-1.5 4,-2.0 -6,-0.2 -1,-0.2 0.953 82.8 41.9 -63.0 -55.3 42.8 10.1 -14.9 13 39 A Y H > S+ 0 0 138 -4,-0.4 4,-2.0 -3,-0.4 -1,-0.2 0.913 117.5 45.5 -65.8 -43.3 40.7 10.1 -11.8 14 40 A Q H > S+ 0 0 108 -4,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.828 111.1 52.8 -72.3 -31.7 39.1 13.6 -12.3 15 41 A Q H X>S+ 0 0 28 -4,-2.0 4,-2.7 2,-0.2 5,-0.5 0.896 109.7 51.0 -65.3 -37.5 38.3 12.8 -15.9 16 42 A W H X5S+ 0 0 40 -4,-2.0 4,-1.4 -5,-0.2 7,-0.2 0.925 112.1 46.1 -61.4 -44.2 36.6 9.7 -14.7 17 43 A Q H <5S+ 0 0 143 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.794 120.9 38.3 -71.6 -29.1 34.7 11.7 -12.2 18 44 A L H <5S+ 0 0 122 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.776 130.9 18.8 -93.8 -30.7 33.7 14.4 -14.8 19 45 A K H <5S+ 0 0 93 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.491 133.0 31.7-127.2 -4.9 33.1 12.5 -18.0 20 46 A Y ><< + 0 0 0 -4,-1.4 3,-1.5 -5,-0.5 -2,-0.1 -0.156 67.4 136.1-145.0 42.5 32.5 8.9 -17.0 21 47 A P T 3 + 0 0 52 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.830 68.2 62.6 -70.1 -31.2 30.8 9.0 -13.5 22 48 A K T 3 S+ 0 0 59 215,-0.1 215,-2.3 2,-0.1 2,-0.7 0.388 85.2 94.2 -74.4 6.7 28.2 6.3 -14.2 23 49 A L E < -F 236 0B 4 -3,-1.5 2,-0.3 -7,-0.2 213,-0.2 -0.885 62.0-170.9 -96.1 114.9 31.1 3.9 -14.7 24 50 A I E -F 235 0B 29 211,-2.4 211,-2.2 -2,-0.7 2,-0.4 -0.763 8.6-160.0-109.3 156.2 31.8 2.1 -11.5 25 51 A L E -F 234 0B 35 -2,-0.3 2,-0.5 209,-0.2 209,-0.2 -0.998 8.4-173.6-138.3 126.7 34.7 -0.2 -10.6 26 52 A R E -F 233 0B 52 207,-3.4 207,-3.3 -2,-0.4 -2,-0.0 -0.978 24.8-137.7-120.4 117.0 35.0 -2.8 -7.8 27 53 A E > - 0 0 115 -2,-0.5 3,-2.6 205,-0.2 4,-0.5 -0.298 31.4 -97.4 -77.0 158.5 38.5 -4.3 -7.5 28 54 A A G > S+ 0 0 23 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.744 119.7 68.2 -44.1 -27.7 39.0 -8.0 -6.9 29 55 A S G 3 S+ 0 0 107 1,-0.3 -1,-0.3 4,-0.0 4,-0.1 0.740 86.1 63.4 -69.9 -28.2 39.4 -7.3 -3.2 30 56 A S G < S+ 0 0 52 -3,-2.6 2,-0.3 2,-0.1 -1,-0.3 0.676 97.5 75.3 -68.7 -14.2 35.8 -6.3 -2.7 31 57 A V S < S- 0 0 10 -3,-1.4 5,-0.0 -4,-0.5 202,-0.0 -0.795 91.3-107.8-105.2 141.1 35.0 -9.9 -3.7 32 58 A S > - 0 0 66 -2,-0.3 4,-1.8 1,-0.1 5,-0.1 -0.209 17.4-124.0 -69.4 152.1 35.5 -12.9 -1.3 33 59 A E H > S+ 0 0 85 2,-0.2 4,-2.2 1,-0.2 3,-0.3 0.962 111.4 55.6 -52.6 -51.0 38.2 -15.5 -1.8 34 60 A E H > S+ 0 0 71 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.925 107.9 44.2 -48.6 -62.4 35.5 -18.2 -1.8 35 61 A L H > S+ 0 0 23 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.812 109.7 57.9 -58.3 -33.6 33.4 -16.7 -4.7 36 62 A H H X S+ 0 0 21 -4,-1.8 4,-2.3 -3,-0.3 5,-0.2 0.945 109.5 44.8 -60.3 -50.0 36.6 -16.0 -6.7 37 63 A K H X S+ 0 0 57 -4,-2.2 4,-2.6 -3,-0.2 5,-0.4 0.992 114.3 46.7 -55.8 -64.4 37.6 -19.7 -6.6 38 64 A E H X S+ 0 0 92 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.887 115.8 46.8 -46.3 -47.5 34.1 -21.0 -7.4 39 65 A V H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.865 114.4 44.8 -67.5 -38.7 33.6 -18.6 -10.3 40 66 A Q H X S+ 0 0 23 -4,-2.3 4,-2.4 -3,-0.4 5,-0.3 0.966 112.5 49.6 -75.2 -52.0 37.0 -19.1 -11.9 41 67 A E H X S+ 0 0 114 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.884 109.0 56.5 -46.8 -39.9 36.9 -22.9 -11.6 42 68 A A H X S+ 0 0 6 -4,-1.9 4,-2.4 -5,-0.4 -2,-0.2 0.926 105.9 48.9 -63.9 -44.6 33.5 -22.6 -13.2 43 69 A F H X S+ 0 0 2 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.937 113.6 46.2 -52.1 -54.1 35.0 -20.7 -16.2 44 70 A L H X S+ 0 0 85 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.805 109.9 55.1 -62.3 -30.3 37.7 -23.3 -16.7 45 71 A T H X S+ 0 0 35 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.958 109.5 45.4 -70.7 -46.6 35.1 -26.1 -16.3 46 72 A L H <>S+ 0 0 8 -4,-2.4 5,-2.3 1,-0.2 6,-0.3 0.900 113.2 51.6 -62.4 -38.9 33.0 -24.6 -19.1 47 73 A H H ><5S+ 0 0 82 -4,-2.2 3,-1.6 1,-0.2 -1,-0.2 0.919 107.7 51.2 -64.8 -43.2 36.0 -24.1 -21.3 48 74 A K H 3<5S+ 0 0 133 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.901 106.8 54.3 -59.6 -42.0 37.2 -27.7 -20.8 49 75 A H T 3<5S- 0 0 55 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.351 114.9-118.1 -79.3 5.2 33.8 -29.1 -21.8 50 76 A G T < 5 + 0 0 24 -3,-1.6 -3,-0.2 -5,-0.1 -2,-0.1 0.783 67.0 143.2 67.8 31.0 34.0 -27.0 -25.0 51 77 A C < + 0 0 9 -5,-2.3 2,-0.4 -6,-0.2 -4,-0.2 0.597 41.5 83.9 -82.7 -13.2 31.0 -25.0 -24.2 52 78 A L - 0 0 24 -6,-0.3 2,-0.4 -5,-0.2 19,-0.2 -0.771 59.7-174.3 -97.9 137.9 32.1 -21.6 -25.6 53 79 A F E -G 70 0B 9 17,-2.7 17,-2.8 -2,-0.4 2,-0.3 -0.960 28.5-117.2-136.4 145.7 31.6 -20.9 -29.3 54 80 A R E -G 69 0B 81 -2,-0.4 2,-0.4 15,-0.3 15,-0.2 -0.615 36.4-129.1 -77.5 131.3 32.4 -18.3 -31.8 55 81 A D E - 0 0 0 13,-0.5 11,-2.1 -2,-0.3 2,-1.6 -0.713 2.6-138.8 -87.4 131.1 29.3 -16.7 -33.2 56 82 A L E +G 65 0B 11 -2,-0.4 9,-0.2 9,-0.2 -1,-0.1 -0.670 48.4 174.8 -83.3 82.5 28.9 -16.6 -37.0 57 83 A V E -G 64 0B 0 7,-1.8 7,-1.9 -2,-1.6 2,-0.4 -0.025 29.1-119.5 -90.9 177.7 27.5 -13.1 -36.7 58 84 A R E +G 63 0B 59 25,-1.4 2,-0.3 5,-0.2 5,-0.2 -0.989 28.4 167.6-127.7 141.3 26.4 -10.4 -39.1 59 85 A I E > S-G 62 0B 69 3,-1.3 3,-3.1 -2,-0.4 -2,-0.0 -0.967 71.9 -15.8-154.6 130.9 27.8 -6.8 -39.5 60 86 A Q T 3 S- 0 0 177 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.850 128.1 -53.7 30.8 52.6 27.2 -4.3 -42.3 61 87 A G T 3 S+ 0 0 56 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.549 114.2 116.4 72.4 11.0 25.9 -7.2 -44.5 62 88 A K E < -G 59 0B 135 -3,-3.1 -3,-1.3 2,-0.0 2,-0.4 -0.938 64.6-128.1-117.6 129.4 29.0 -9.4 -44.0 63 89 A D E +G 58 0B 35 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.597 38.2 176.1 -73.4 124.0 29.2 -12.8 -42.3 64 90 A L E -G 57 0B 74 -7,-1.9 -7,-1.8 -2,-0.4 2,-0.5 -0.988 31.8-133.8-138.0 129.3 32.0 -12.7 -39.7 65 91 A L E -G 56 0B 35 -2,-0.4 -9,-0.2 -9,-0.2 -11,-0.0 -0.681 33.4-123.9 -73.0 122.6 33.3 -15.1 -37.2 66 92 A T E - 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0 0 0 -11,-2.2 -12,-0.2 -2,-0.4 -16,-0.2 -0.423 9.0-143.2 -72.9 140.0 20.2 -19.5 -22.6 90 116 A V E -i 73 0B 11 -18,-2.5 -16,-1.8 -2,-0.1 2,-0.1 -0.927 50.4-111.1 -81.3 120.7 21.8 -22.5 -21.2 91 117 A P E -i 74 0B 16 0, 0.0 -16,-0.2 0, 0.0 18,-0.1 -0.342 28.3-158.1 -70.4 137.4 19.6 -22.5 -18.1 92 118 A W - 0 0 1 -18,-2.4 2,-1.9 17,-0.1 18,-0.1 -0.796 41.2 -95.7 -99.1 157.0 20.8 -21.6 -14.5 93 119 A P + 0 0 53 0, 0.0 4,-0.1 0, 0.0 3,-0.1 -0.437 53.4 166.0 -84.7 74.3 18.6 -23.0 -11.7 94 120 A V - 0 0 38 -2,-1.9 2,-0.2 -20,-0.2 3,-0.0 -0.092 56.8 -64.0 -62.1 178.6 16.2 -20.2 -10.7 95 121 A K S S+ 0 0 108 1,-0.2 -1,-0.2 3,-0.0 3,-0.1 -0.491 121.1 36.2 -68.2 138.4 13.2 -21.1 -8.5 96 122 A G S S+ 0 0 85 1,-0.3 2,-0.2 -2,-0.2 -1,-0.2 0.968 93.8 95.9 79.3 68.7 10.8 -23.5 -10.3 97 123 A S + 0 0 55 -4,-0.1 -1,-0.3 -3,-0.0 2,-0.1 -0.853 38.4 178.7 179.0 144.2 13.1 -25.7 -12.4 98 124 A N 0 0 108 -2,-0.2 -3,-0.0 -3,-0.1 0, 0.0 -0.520 360.0 360.0-165.1 89.9 14.7 -29.2 -12.1 99 125 A I 0 0 143 -2,-0.1 -2,-0.0 3,-0.0 3,-0.0 0.508 360.0 360.0-116.6 360.0 16.9 -30.9 -14.7 100 ! 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 34 0, 0.0 2,-0.2 0, 0.0 231,-0.2 0.000 360.0 360.0 360.0 -7.8 22.1 -30.1 -17.9 102 129 A E > - 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