==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 21-JUL-10 3O1P . 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 . 202 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9793.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 127 62.9 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 29.7 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 . 15 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 12.4 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 1 1 0 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 . 5 1 2 1 3 1 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 13 A E 0 0 200 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 122.2 19.7 8.4 19.3 2 14 A P - 0 0 94 0, 0.0 6,-0.2 0, 0.0 3,-0.1 -0.336 360.0-108.6 -71.6 158.0 15.9 9.0 19.1 3 15 A L S S- 0 0 9 4,-0.4 2,-0.3 1,-0.2 5,-0.2 0.920 80.0 -48.7 -55.2 -55.1 13.6 6.0 18.9 4 16 A A B > S-A 7 0A 25 3,-1.2 3,-2.5 0, 0.0 2,-0.3 -0.946 81.7 -49.9-166.0 174.9 12.6 6.5 15.3 5 17 A A T 3 S+ 0 0 45 1,-0.3 165,-0.7 -2,-0.3 162,-0.3 -0.457 132.1 2.2 -57.7 117.4 11.4 9.2 12.9 6 18 A G T 3 S+ 0 0 38 -2,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.530 116.2 105.9 80.0 7.1 8.5 10.8 14.7 7 19 A A B < +A 4 0A 7 -3,-2.5 -3,-1.2 159,-0.2 -4,-0.4 -0.939 39.8 166.9-123.9 144.3 9.0 8.6 17.8 8 20 A V E -B 165 0B 42 157,-2.4 157,-2.7 -2,-0.4 2,-0.5 -0.993 27.7-137.0-149.2 151.2 10.5 9.3 21.2 9 21 A I E -B 164 0B 25 -2,-0.3 2,-0.8 155,-0.2 155,-0.2 -0.969 11.4-161.6-108.9 129.8 10.7 7.7 24.6 10 22 A L E > -B 163 0B 28 153,-3.5 153,-2.0 -2,-0.5 3,-1.7 -0.878 22.2-142.6-109.0 93.3 10.2 10.0 27.6 11 23 A R T 3 S- 0 0 151 -2,-0.8 151,-0.1 1,-0.3 150,-0.1 -0.389 75.3 -8.9 -70.4 130.4 11.7 8.1 30.5 12 24 A R T > S+ 0 0 103 147,-0.2 3,-1.6 -2,-0.1 4,-0.4 0.645 87.4 141.5 60.2 19.3 9.9 8.3 33.8 13 25 A F T < S+ 0 0 56 -3,-1.7 3,-0.3 1,-0.3 149,-0.2 0.871 76.1 37.9 -55.7 -39.7 7.7 11.1 32.3 14 26 A A T 3> S+ 0 0 0 147,-3.4 4,-1.1 -4,-0.3 -1,-0.3 0.215 84.9 108.0 -98.4 12.3 4.6 9.7 34.2 15 27 A F T X4 S+ 0 0 104 -3,-1.6 3,-0.7 146,-0.4 4,-0.4 0.935 81.6 44.5 -56.2 -49.2 6.5 8.7 37.4 16 28 A N T 34 S+ 0 0 160 -4,-0.4 3,-0.3 -3,-0.3 4,-0.3 0.804 116.9 45.8 -68.1 -29.1 5.0 11.6 39.5 17 29 A A T 3> S+ 0 0 25 -4,-0.2 4,-2.4 1,-0.2 3,-0.5 0.580 86.7 98.1 -86.6 -9.5 1.4 11.0 38.1 18 30 A A H S+ 0 0 118 -4,-0.4 4,-2.0 -3,-0.3 -1,-0.2 0.917 114.3 44.0 -59.7 -43.7 -0.2 6.8 41.9 20 32 A Q H > S+ 0 0 75 -3,-0.5 4,-2.2 -4,-0.3 -1,-0.2 0.912 111.6 54.2 -66.3 -42.3 -3.2 8.8 40.7 21 33 A L H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.911 108.4 49.5 -57.2 -43.4 -3.2 7.1 37.3 22 34 A I H X S+ 0 0 14 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.902 107.8 52.9 -67.1 -40.2 -3.4 3.7 39.1 23 35 A R H X S+ 0 0 129 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.908 111.7 47.7 -56.7 -41.6 -6.3 4.8 41.3 24 36 A D H X S+ 0 0 28 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.840 105.7 56.6 -74.0 -32.5 -8.1 5.9 38.1 25 37 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.937 108.6 48.9 -55.9 -46.7 -7.4 2.6 36.4 26 38 A N H X S+ 0 0 86 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.898 110.6 50.2 -62.4 -39.0 -9.1 0.9 39.3 27 39 A D H < S+ 0 0 89 -4,-1.8 4,-0.5 2,-0.2 -1,-0.2 0.915 111.7 47.6 -65.5 -43.8 -12.1 3.3 39.0 28 40 A V H >X S+ 0 0 1 -4,-2.7 4,-2.7 1,-0.2 3,-1.4 0.931 112.0 49.9 -61.1 -45.2 -12.4 2.6 35.3 29 41 A A H 3< S+ 0 0 18 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.724 98.3 66.8 -70.4 -21.7 -12.2 -1.2 35.8 30 42 A S T 3< S+ 0 0 87 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.711 114.8 30.9 -69.4 -18.1 -14.8 -1.1 38.5 31 43 A Q T <4 S+ 0 0 91 -3,-1.4 -2,-0.2 -4,-0.5 -1,-0.1 0.803 135.2 25.3-106.0 -47.9 -17.3 -0.1 35.7 32 44 A S S < S- 0 0 2 -4,-2.7 -1,-0.3 -5,-0.1 19,-0.1 -0.888 92.7-143.4-117.8 96.3 -15.8 -1.9 32.7 33 45 A P - 0 0 52 0, 0.0 -3,-0.1 0, 0.0 16,-0.1 -0.131 21.6 -95.6 -62.7 151.6 -13.9 -4.8 34.1 34 46 A F + 0 0 27 -5,-0.1 2,-0.3 14,-0.1 16,-0.2 -0.393 51.2 176.8 -56.4 137.7 -10.6 -6.1 32.7 35 47 A R B -C 49 0B 25 14,-1.9 14,-3.1 -3,-0.1 2,-0.7 -0.993 34.0-122.5-145.5 147.9 -11.3 -9.0 30.4 36 48 A Q - 0 0 101 -2,-0.3 12,-0.2 12,-0.3 10,-0.1 -0.832 37.3-139.2 -89.7 113.9 -9.1 -11.2 28.1 37 49 A M - 0 0 12 -2,-0.7 8,-3.2 10,-0.5 2,-0.5 -0.336 5.6-127.1 -75.2 154.8 -10.5 -10.8 24.6 38 50 A V B -I 44 0C 69 6,-0.2 6,-0.2 21,-0.1 -1,-0.1 -0.879 22.9-128.1-103.6 129.9 -10.8 -13.7 22.1 39 51 A T > - 0 0 35 4,-3.1 3,-1.7 -2,-0.5 20,-0.0 -0.243 27.9-106.0 -68.9 162.2 -9.3 -13.3 18.7 40 52 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.860 124.4 57.7 -53.8 -33.0 -11.3 -13.9 15.5 41 53 A G T 3 S- 0 0 67 2,-0.1 20,-0.1 1,-0.0 -2,-0.0 0.549 124.4-105.0 -77.2 -9.3 -9.3 -17.1 15.2 42 54 A G S < S+ 0 0 50 -3,-1.7 2,-0.4 1,-0.3 -1,-0.0 0.589 74.7 131.6 101.7 14.2 -10.6 -18.2 18.7 43 55 A Y - 0 0 181 1,-0.0 -4,-3.1 0, 0.0 2,-0.5 -0.819 55.2-125.5-101.4 136.6 -7.5 -17.7 20.9 44 56 A T B -I 38 0C 86 -2,-0.4 -6,-0.2 -6,-0.2 -7,-0.1 -0.700 27.9-123.0 -82.6 122.6 -7.8 -15.9 24.2 45 57 A M - 0 0 33 -8,-3.2 71,-0.1 -2,-0.5 -1,-0.1 -0.280 7.8-139.0 -62.8 146.9 -5.3 -13.0 24.5 46 58 A S S S+ 0 0 41 69,-0.3 65,-0.4 67,-0.1 2,-0.3 0.776 84.2 80.0 -80.4 -27.0 -2.9 -13.2 27.4 47 59 A V S S- 0 0 0 68,-0.4 -10,-0.5 63,-0.1 2,-0.4 -0.623 78.1-139.1 -78.5 134.7 -3.3 -9.4 28.1 48 60 A A E - D 0 109B 4 61,-2.3 61,-2.9 -2,-0.3 2,-0.3 -0.825 29.0-167.4 -93.7 139.9 -6.4 -8.4 30.0 49 61 A M E +CD 35 108B 4 -14,-3.1 -14,-1.9 -2,-0.4 2,-0.3 -0.899 24.5 161.6-131.2 151.2 -8.0 -5.2 28.6 50 62 A T E - D 0 107B 0 57,-1.8 57,-3.1 -2,-0.3 2,-0.3 -0.905 22.1-141.5-147.0-179.3 -10.5 -2.5 29.2 51 63 A N E - D 0 106B 1 -2,-0.3 2,-0.3 55,-0.2 55,-0.2 -0.969 10.2-168.1-141.2 159.2 -11.1 1.0 27.8 52 64 A C E + D 0 105B 0 53,-2.3 53,-2.1 -2,-0.3 3,-0.3 -0.931 51.6 46.9-139.6 169.8 -12.1 4.5 28.7 53 65 A G S S- 0 0 9 25,-2.6 24,-0.2 -2,-0.3 51,-0.2 -0.448 106.7 -47.3 89.9-171.7 -13.1 7.5 26.7 54 66 A H S S+ 0 0 149 49,-0.5 2,-0.4 -2,-0.1 23,-0.2 0.829 123.7 37.3 -71.0 -32.2 -15.5 7.7 23.7 55 67 A L B -e 104 0B 30 48,-2.0 50,-0.5 -3,-0.3 2,-0.4 -0.973 64.0-165.1-128.2 135.8 -14.1 4.7 21.9 56 68 A G E -J 67 0D 0 11,-2.4 11,-2.3 -2,-0.4 2,-0.3 -0.952 22.1-124.1-119.2 137.7 -12.7 1.3 23.1 57 69 A W E +J 66 0D 27 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.596 42.0 161.0 -75.9 134.6 -10.7 -1.2 21.1 58 70 A T E -J 65 0D 5 7,-2.0 7,-2.5 -2,-0.3 2,-0.2 -0.973 36.6-119.5-147.2 160.8 -12.2 -4.7 21.1 59 71 A T E -J 64 0D 19 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.654 30.3-178.3 -93.8 162.6 -12.1 -8.0 19.2 60 72 A H E > -J 63 0D 98 3,-2.2 3,-0.6 -2,-0.2 -23,-0.0 -0.883 45.5 -98.8-146.3 170.7 -15.1 -9.4 17.5 61 73 A R T 3 S+ 0 0 226 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.896 125.7 47.2 -57.8 -39.4 -15.9 -12.6 15.6 62 74 A Q T 3 S- 0 0 150 1,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.483 126.2 -79.3 -86.6 -5.9 -15.5 -10.5 12.4 63 75 A G E < S-J 60 0D 20 -3,-0.6 -3,-2.2 2,-0.0 2,-0.3 -0.998 71.0 -29.0 147.1-151.5 -12.2 -8.7 13.3 64 76 A Y E +J 59 0D 127 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.792 59.0 177.5-103.7 153.4 -11.0 -5.8 15.5 65 77 A L E -J 58 0D 82 -7,-2.5 -7,-2.0 -2,-0.3 2,-0.6 -0.994 31.9-134.7-156.5 140.0 -13.3 -2.8 16.1 66 78 A Y E +J 57 0D 29 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.0 -0.899 37.8 178.4 -91.9 127.1 -13.5 0.5 17.9 67 79 A S E -J 56 0D 15 -11,-2.3 -11,-2.4 -2,-0.6 10,-0.1 -0.977 38.7-142.2-132.8 146.1 -16.8 0.8 19.6 68 80 A P S S+ 0 0 80 0, 0.0 9,-1.1 0, 0.0 2,-0.4 0.620 89.2 66.4 -75.7 -11.4 -18.5 3.3 21.9 69 81 A I B S-K 76 0E 66 7,-0.2 -13,-0.1 -13,-0.1 -2,-0.0 -0.912 83.4-126.2-118.2 134.7 -20.1 0.5 23.9 70 82 A D > - 0 0 0 5,-2.9 4,-2.9 -2,-0.4 5,-0.5 -0.692 19.2-150.8 -71.9 117.4 -18.5 -2.1 26.1 71 83 A P T 4 S+ 0 0 73 0, 0.0 -1,-0.2 0, 0.0 -13,-0.0 0.695 93.2 53.8 -69.4 -15.7 -19.8 -5.4 24.6 72 84 A Q T 4 S+ 0 0 107 3,-0.1 -40,-0.0 1,-0.1 -2,-0.0 0.895 123.6 23.0 -81.6 -42.2 -19.5 -7.0 28.1 73 85 A T T 4 S- 0 0 35 2,-0.2 -1,-0.1 -40,-0.1 -41,-0.0 0.655 92.0-136.5 -95.1 -20.1 -21.5 -4.5 30.0 74 86 A N S < S+ 0 0 123 -4,-2.9 3,-0.0 1,-0.3 -5,-0.0 0.709 72.1 106.9 62.4 22.6 -23.6 -3.1 27.1 75 87 A K S S- 0 0 125 -5,-0.5 -5,-2.9 1,-0.1 -1,-0.3 -0.845 83.4 -82.5-120.3 160.6 -22.9 0.3 28.5 76 88 A P B -K 69 0E 93 0, 0.0 -7,-0.2 0, 0.0 -1,-0.1 -0.224 54.5 -97.6 -54.4 150.4 -20.6 3.1 27.3 77 89 A W - 0 0 10 -9,-1.1 -25,-0.2 -24,-0.2 3,-0.1 -0.389 55.9 -86.0 -60.0 151.3 -17.0 2.8 28.3 78 90 A P - 0 0 8 0, 0.0 -25,-2.6 0, 0.0 -1,-0.1 -0.269 54.0 -90.5 -58.1 149.5 -16.2 4.9 31.4 79 91 A A - 0 0 85 -27,-0.2 3,-0.0 1,-0.1 -25,-0.0 -0.236 50.2 -95.9 -54.9 146.5 -15.3 8.5 30.7 80 92 A M - 0 0 33 -28,-0.2 -1,-0.1 -3,-0.1 5,-0.0 -0.559 46.8-114.6 -67.7 123.0 -11.6 9.1 30.3 81 93 A P > - 0 0 16 0, 0.0 4,-2.3 0, 0.0 3,-0.4 -0.267 14.1-125.5 -57.6 144.5 -10.3 10.3 33.7 82 94 A Q H > S+ 0 0 138 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.854 111.7 58.5 -57.8 -34.8 -8.9 13.8 33.8 83 95 A S H > S+ 0 0 15 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.900 108.2 45.9 -63.1 -40.1 -5.6 12.5 35.2 84 96 A F H > S+ 0 0 0 -3,-0.4 4,-2.8 2,-0.2 -2,-0.2 0.937 114.1 47.5 -63.2 -51.3 -5.3 10.3 32.0 85 97 A H H X S+ 0 0 69 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.900 113.7 46.8 -63.1 -40.9 -6.2 13.2 29.7 86 98 A N H X S+ 0 0 77 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.928 113.3 47.6 -67.7 -45.6 -3.9 15.7 31.3 87 99 A L H X S+ 0 0 4 -4,-2.1 4,-2.5 -5,-0.3 5,-0.2 0.933 112.3 50.8 -61.8 -45.0 -0.9 13.3 31.4 88 100 A C H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.923 109.8 49.3 -57.4 -48.8 -1.5 12.4 27.8 89 101 A Q H X S+ 0 0 52 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.910 112.4 48.1 -58.4 -45.3 -1.6 16.0 26.6 90 102 A R H X S+ 0 0 115 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.898 114.0 46.2 -64.4 -42.1 1.6 16.9 28.5 91 103 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.930 112.0 50.4 -66.4 -45.3 3.4 13.8 27.1 92 104 A A H <>S+ 0 0 0 -4,-2.9 5,-3.4 1,-0.2 4,-0.3 0.907 111.5 49.2 -59.6 -43.2 2.2 14.5 23.6 93 105 A T H ><5S+ 0 0 67 -4,-2.1 3,-1.4 -5,-0.2 -1,-0.2 0.922 110.5 49.5 -60.8 -45.3 3.4 18.1 23.8 94 106 A A H 3<5S+ 0 0 59 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.840 110.1 53.0 -63.4 -30.9 6.8 17.1 25.1 95 107 A A T 3<5S- 0 0 22 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.441 126.6 -98.8 -86.6 -2.4 7.1 14.6 22.3 96 108 A G T < 5S+ 0 0 55 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.673 97.3 105.5 94.6 18.5 6.3 17.2 19.6 97 109 A Y > < + 0 0 44 -5,-3.4 3,-1.5 -6,-0.2 -4,-0.2 -0.513 32.2 156.9-123.5 63.3 2.6 16.5 19.1 98 110 A P T 3 + 0 0 64 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 0.729 69.4 56.3 -64.4 -22.4 1.0 19.4 20.9 99 111 A D T 3 S+ 0 0 141 -7,-0.1 2,-0.1 -3,-0.1 -10,-0.0 0.419 73.7 131.5 -92.9 1.5 -2.3 19.2 19.0 100 112 A F < - 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