==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 05-MAR-13 4JHT . COMPND 2 MOLECULE: ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE ALKB; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR W.S.AIK,M.A.MCDONOUGH,C.J.SCHOFIELD . 201 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9840.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 65.7 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 . 60 29.9 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 . 1 0.5 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 . 18 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 . 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 1 1 2 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 . 1 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 14 A P 0 0 179 0, 0.0 3,-0.2 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 100.6 -3.3 19.9 8.1 2 15 A L + 0 0 63 1,-0.3 2,-0.4 4,-0.1 5,-0.1 0.895 360.0 3.9 -63.5 -48.4 -5.4 17.0 6.8 3 16 A A S > S- 0 0 10 3,-0.2 3,-2.6 169,-0.0 -1,-0.3 -0.956 86.6-112.6-141.7 119.3 -3.8 14.2 8.8 4 17 A A T 3 S+ 0 0 50 -2,-0.4 165,-2.0 1,-0.3 3,-0.1 -0.281 103.3 11.5 -55.6 121.4 -1.2 14.9 11.5 5 18 A G T 3 S+ 0 0 36 1,-0.3 161,-1.2 163,-0.2 2,-0.3 0.249 101.5 117.6 96.6 -17.7 2.1 13.5 10.4 6 19 A A E < -A 165 0A 24 -3,-2.6 2,-0.5 159,-0.2 -1,-0.3 -0.657 47.0-160.3 -89.0 147.6 1.0 12.8 6.8 7 20 A V E -A 164 0A 47 157,-2.2 157,-2.7 -2,-0.3 2,-0.5 -0.970 5.6-158.0-127.9 110.2 2.6 14.4 3.8 8 21 A I E -A 163 0A 50 -2,-0.5 2,-0.5 155,-0.2 155,-0.2 -0.836 8.1-174.7 -91.5 124.8 0.5 14.4 0.6 9 22 A L E > -A 162 0A 35 153,-3.5 153,-2.1 -2,-0.5 3,-1.7 -0.828 16.2-152.9-120.2 81.6 2.6 14.8 -2.6 10 23 A R T 3 S- 0 0 150 -2,-0.5 151,-0.2 1,-0.3 150,-0.1 -0.373 76.1 -2.5 -63.8 136.0 0.1 15.1 -5.4 11 24 A R T > S+ 0 0 148 147,-0.2 3,-1.8 1,-0.1 4,-0.4 0.563 87.2 136.4 60.7 15.4 1.5 13.9 -8.8 12 25 A F T < S+ 0 0 55 -3,-1.7 3,-0.2 1,-0.3 4,-0.2 0.836 78.6 36.8 -59.6 -33.8 4.9 13.3 -7.3 13 26 A A T 3> S+ 0 0 0 147,-3.0 4,-1.0 -4,-0.3 -1,-0.3 0.181 85.6 108.3-102.9 13.9 5.2 10.0 -9.2 14 27 A F T X4 S+ 0 0 80 -3,-1.8 3,-0.7 146,-0.4 4,-0.4 0.941 82.8 42.7 -61.4 -46.6 3.5 11.2 -12.4 15 28 A N T 34 S+ 0 0 156 -4,-0.4 3,-0.4 1,-0.2 4,-0.3 0.879 117.4 47.1 -68.3 -34.6 6.6 11.2 -14.5 16 29 A A T 3> S+ 0 0 26 -4,-0.2 4,-2.6 1,-0.2 3,-0.3 0.577 86.6 96.2 -78.8 -8.7 7.8 7.9 -13.0 17 30 A A H S+ 0 0 114 -3,-0.4 4,-2.1 -4,-0.4 -1,-0.2 0.937 114.4 44.1 -61.4 -42.1 5.1 4.4 -16.8 19 32 A Q H > S+ 0 0 76 -3,-0.3 4,-2.3 -4,-0.3 -2,-0.2 0.918 111.4 53.9 -66.6 -40.8 8.3 2.8 -15.5 20 33 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.914 109.1 48.8 -59.3 -42.5 6.7 1.9 -12.2 21 34 A I H X S+ 0 0 13 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.901 107.9 53.6 -66.5 -39.1 3.9 0.1 -14.1 22 35 A R H X S+ 0 0 125 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.920 110.9 47.6 -58.1 -42.3 6.4 -1.8 -16.2 23 36 A D H X S+ 0 0 24 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.865 106.5 56.2 -72.3 -33.5 8.1 -2.9 -13.0 24 37 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.944 109.1 48.2 -55.4 -48.7 4.8 -4.0 -11.4 25 38 A N H X S+ 0 0 85 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.899 111.2 50.0 -62.4 -39.4 4.3 -6.2 -14.5 26 39 A D H X S+ 0 0 85 -4,-2.0 4,-0.5 2,-0.2 3,-0.3 0.942 111.8 47.4 -64.8 -46.0 7.8 -7.6 -14.1 27 40 A V H >X S+ 0 0 2 -4,-2.8 4,-2.8 1,-0.2 3,-1.6 0.939 111.8 50.4 -56.9 -47.8 7.3 -8.3 -10.4 28 41 A A H 3< S+ 0 0 18 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.748 98.0 66.9 -67.5 -23.0 4.0 -10.0 -11.1 29 42 A S H 3< S+ 0 0 89 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.711 115.7 29.4 -69.4 -17.8 5.5 -12.2 -13.8 30 43 A Q H << S+ 0 0 103 -3,-1.6 -2,-0.2 -4,-0.5 -1,-0.1 0.799 135.3 26.3-105.1 -52.4 7.4 -13.9 -11.0 31 44 A S S < S- 0 0 2 -4,-2.8 -1,-0.3 -5,-0.1 19,-0.1 -0.901 93.0-144.4-111.7 97.9 5.1 -13.5 -8.0 32 45 A P - 0 0 50 0, 0.0 16,-0.1 0, 0.0 -3,-0.1 -0.159 20.9 -95.3 -65.3 156.4 1.7 -13.3 -9.5 33 46 A F + 0 0 30 -5,-0.1 2,-0.3 14,-0.1 16,-0.2 -0.425 51.2 177.2 -58.8 137.7 -1.2 -11.2 -8.2 34 47 A R B -B 48 0A 30 14,-2.0 14,-2.9 -3,-0.1 2,-0.8 -0.983 34.1-122.0-144.3 150.4 -3.4 -13.2 -5.9 35 48 A Q - 0 0 106 -2,-0.3 12,-0.2 12,-0.2 10,-0.1 -0.881 37.2-146.6 -93.2 108.2 -6.5 -12.5 -3.8 36 49 A M - 0 0 7 -2,-0.8 8,-2.9 10,-0.4 2,-0.5 -0.285 9.2-118.8 -74.1 160.9 -5.5 -13.5 -0.3 37 50 A V B -H 43 0B 69 6,-0.2 6,-0.2 -2,-0.0 24,-0.1 -0.882 25.6-130.1-103.7 128.9 -7.9 -15.0 2.3 38 51 A T > - 0 0 36 4,-3.0 3,-2.1 -2,-0.5 23,-0.0 -0.238 29.4-103.5 -69.7 162.1 -8.4 -13.1 5.5 39 52 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.822 123.6 59.3 -53.9 -30.1 -8.2 -14.8 8.9 40 53 A G T 3 S- 0 0 67 2,-0.1 -2,-0.0 1,-0.0 -3,-0.0 0.524 123.5-103.2 -78.7 -7.5 -12.0 -14.7 8.9 41 54 A G S < S+ 0 0 54 -3,-2.1 2,-0.3 1,-0.3 -1,-0.0 0.519 75.9 131.9 104.2 4.9 -12.2 -16.8 5.7 42 55 A Y - 0 0 185 1,-0.0 -4,-3.0 0, 0.0 2,-0.5 -0.723 56.2-125.9 -95.5 143.3 -13.1 -14.1 3.1 43 56 A T B -H 37 0B 90 -2,-0.3 -6,-0.2 -6,-0.2 -7,-0.1 -0.737 32.2-122.1 -85.0 122.6 -11.3 -13.7 -0.2 44 57 A M - 0 0 29 -8,-2.9 71,-0.1 -2,-0.5 -1,-0.1 -0.343 5.7-143.3 -61.5 144.1 -10.1 -10.1 -0.5 45 58 A S S S+ 0 0 52 69,-0.4 65,-0.4 67,-0.1 2,-0.3 0.781 84.7 78.5 -78.0 -26.8 -11.4 -8.2 -3.5 46 59 A V S S- 0 0 0 68,-0.4 -10,-0.4 63,-0.1 2,-0.3 -0.661 78.7-141.0 -79.9 134.0 -8.0 -6.5 -3.8 47 60 A A E - C 0 108A 4 61,-2.3 61,-2.9 -2,-0.3 2,-0.3 -0.771 25.4-169.4 -95.3 145.9 -5.3 -8.6 -5.5 48 61 A M E +BC 34 107A 6 -14,-2.9 -14,-2.0 -2,-0.3 2,-0.3 -0.930 22.9 162.1-135.7 155.6 -1.8 -8.4 -4.1 49 62 A T E - C 0 106A 0 57,-1.8 57,-3.1 -2,-0.3 2,-0.3 -0.889 22.5-140.7-151.0-176.9 1.8 -9.3 -4.6 50 63 A N E - C 0 105A 0 -2,-0.3 2,-0.3 55,-0.2 55,-0.2 -0.982 9.8-165.3-142.0 160.8 5.1 -8.0 -3.1 51 64 A C E + C 0 104A 0 53,-1.9 53,-2.1 -2,-0.3 27,-0.2 -0.947 50.8 57.5-139.0 167.6 8.7 -7.2 -3.9 52 65 A G E S- C 0 103A 7 25,-2.8 24,-0.2 -2,-0.3 51,-0.2 -0.599 103.1 -54.9 105.2-177.0 11.7 -6.6 -1.7 53 66 A H S S+ 0 0 128 49,-0.6 2,-0.3 -2,-0.2 23,-0.2 0.847 124.8 35.6 -66.9 -35.0 13.3 -8.8 0.9 54 67 A L B -d 103 0A 18 48,-2.5 50,-0.5 -3,-0.2 2,-0.4 -0.906 67.9-162.9-123.4 151.3 10.0 -9.2 2.8 55 68 A G E -I 66 0C 0 11,-1.8 11,-2.4 -2,-0.3 2,-0.3 -0.994 23.0-120.1-136.2 139.7 6.4 -9.5 1.6 56 69 A W E +I 65 0C 21 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.625 50.8 145.8 -76.3 132.8 3.1 -9.1 3.4 57 70 A T E -I 64 0C 4 7,-2.4 7,-2.0 -2,-0.3 2,-0.1 -0.996 51.4 -98.1-164.0 155.0 1.0 -12.2 3.3 58 71 A T E +I 63 0C 41 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.458 43.7 167.8 -63.5 148.4 -1.5 -14.5 5.0 59 72 A H E > -I 62 0C 82 3,-2.0 3,-0.9 -2,-0.1 -2,-0.0 -0.798 63.6 -11.4-166.1 127.3 0.1 -17.5 6.6 60 73 A R T 3 S- 0 0 208 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.814 127.1 -53.0 49.7 40.2 -1.5 -20.0 9.0 61 74 A Q T 3 S+ 0 0 174 1,-0.3 2,-0.3 -24,-0.1 -1,-0.3 0.868 124.4 78.4 66.2 36.6 -4.6 -17.8 9.5 62 75 A G E < S-I 59 0C 27 -3,-0.9 -3,-2.0 -5,-0.0 2,-0.3 -0.913 79.4-103.3-152.5 179.5 -2.7 -14.7 10.5 63 76 A Y E +I 58 0C 92 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.861 46.0 143.1-109.5 147.7 -0.7 -11.9 8.8 64 77 A L E -I 57 0C 63 -7,-2.0 -7,-2.4 -2,-0.3 2,-0.5 -0.986 48.4 -99.6-167.7 170.0 3.0 -11.6 8.6 65 78 A Y E -I 56 0C 33 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.0 -0.903 41.4-178.8-100.2 130.8 6.0 -10.6 6.6 66 79 A S E -I 55 0C 26 -11,-2.4 -11,-1.8 -2,-0.5 10,-0.1 -0.966 34.3-142.8-130.6 145.6 7.8 -13.4 5.0 67 80 A P S S+ 0 0 58 0, 0.0 9,-1.1 0, 0.0 2,-0.4 0.661 89.7 65.4 -78.3 -10.5 10.9 -13.6 2.8 68 81 A I B S-J 75 0D 65 7,-0.2 -13,-0.1 -13,-0.1 -2,-0.1 -0.899 82.9-128.3-117.9 132.0 9.3 -16.4 0.7 69 82 A D >> - 0 0 0 5,-2.9 4,-2.7 -2,-0.4 3,-0.6 -0.719 16.3-148.3 -72.9 116.7 6.2 -16.1 -1.5 70 83 A P T 34 S+ 0 0 58 0, 0.0 -1,-0.1 0, 0.0 -13,-0.0 0.733 94.7 56.7 -60.8 -19.9 3.9 -18.9 -0.3 71 84 A Q T 34 S+ 0 0 103 1,-0.1 -2,-0.0 3,-0.1 -40,-0.0 0.838 123.2 20.4 -79.9 -34.7 2.5 -19.3 -3.8 72 85 A T T <4 S- 0 0 38 -3,-0.6 -1,-0.1 2,-0.2 -41,-0.0 0.587 89.9-133.9-105.7 -16.5 5.8 -19.9 -5.5 73 86 A N S < S+ 0 0 127 -4,-2.7 3,-0.1 1,-0.3 -5,-0.0 0.631 75.3 106.0 59.7 18.2 8.0 -21.0 -2.6 74 87 A K S S- 0 0 143 -5,-0.4 -5,-2.9 1,-0.1 -1,-0.3 -0.788 83.2 -83.3-114.9 161.4 10.6 -18.6 -4.0 75 88 A P B -J 68 0D 89 0, 0.0 -7,-0.2 0, 0.0 -1,-0.1 -0.248 52.6 -98.9 -56.2 150.9 11.8 -15.2 -2.7 76 89 A W - 0 0 9 -9,-1.1 -25,-0.2 -23,-0.2 3,-0.1 -0.396 55.8 -84.4 -59.0 152.4 9.7 -12.3 -3.6 77 90 A P - 0 0 6 0, 0.0 -25,-2.8 0, 0.0 -1,-0.1 -0.254 55.0 -93.5 -58.6 149.4 11.2 -10.4 -6.6 78 91 A A - 0 0 82 -27,-0.2 -25,-0.0 1,-0.1 -51,-0.0 -0.221 50.1 -86.6 -60.7 153.1 13.9 -7.9 -5.7 79 92 A M - 0 0 48 -28,-0.1 -1,-0.1 -3,-0.1 24,-0.0 -0.469 49.7-121.4 -59.5 118.9 12.9 -4.3 -5.2 80 93 A P > - 0 0 15 0, 0.0 4,-2.5 0, 0.0 3,-0.3 -0.294 14.2-121.6 -60.0 149.7 13.0 -2.6 -8.6 81 94 A Q H > S+ 0 0 170 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.895 113.2 55.1 -55.7 -41.4 15.3 0.4 -9.0 82 95 A S H > S+ 0 0 19 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.873 110.1 46.4 -63.9 -38.1 12.3 2.6 -10.0 83 96 A F H > S+ 0 0 0 -3,-0.3 4,-2.5 2,-0.2 5,-0.3 0.948 113.2 48.0 -67.0 -51.0 10.5 1.7 -6.8 84 97 A H H X S+ 0 0 92 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.917 115.0 45.4 -55.4 -49.5 13.6 2.2 -4.5 85 98 A N H X S+ 0 0 79 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.898 113.1 47.9 -67.7 -42.0 14.4 5.6 -6.1 86 99 A L H X S+ 0 0 2 -4,-2.0 4,-2.5 -5,-0.3 5,-0.2 0.945 112.8 49.5 -64.6 -47.0 10.9 7.0 -6.0 87 100 A C H X S+ 0 0 1 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.928 111.6 48.3 -57.7 -46.5 10.3 5.9 -2.4 88 101 A Q H X S+ 0 0 75 -4,-2.2 4,-2.4 -5,-0.3 5,-0.2 0.898 110.7 50.4 -65.5 -40.0 13.5 7.5 -1.3 89 102 A R H X S+ 0 0 108 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.928 115.2 43.8 -61.6 -41.9 12.9 10.8 -3.1 90 103 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.941 114.5 47.6 -69.2 -47.1 9.4 11.0 -1.5 91 104 A A H <>S+ 0 0 1 -4,-3.0 5,-3.1 -5,-0.2 4,-0.5 0.916 113.4 49.1 -62.1 -43.2 10.5 10.0 2.0 92 105 A T H ><5S+ 0 0 72 -4,-2.4 3,-1.4 -5,-0.3 -1,-0.2 0.944 109.6 50.7 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