==== 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 3O1R . 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) . 9854.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 125 61.9 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 . 13 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 12.9 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 . 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 0 233 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -26.5 19.5 8.6 19.7 2 14 A P - 0 0 83 0, 0.0 6,-0.1 0, 0.0 3,-0.1 -0.339 360.0-112.9 -65.0 149.6 15.8 9.6 19.2 3 15 A L S S- 0 0 9 4,-0.4 2,-0.3 1,-0.2 5,-0.2 0.925 77.6 -49.6 -52.0 -54.2 13.4 6.6 19.2 4 16 A A B > S-A 7 0A 27 3,-1.2 3,-2.3 0, 0.0 2,-0.3 -0.956 79.9 -52.3-166.8 173.6 12.4 7.0 15.5 5 17 A A T 3 S+ 0 0 47 1,-0.3 165,-0.7 -2,-0.3 162,-0.3 -0.499 132.4 2.3 -58.0 119.7 11.2 9.7 13.1 6 18 A G T 3 S+ 0 0 37 -2,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.476 116.0 107.3 81.4 4.1 8.2 11.2 14.9 7 19 A A B < +A 4 0A 7 -3,-2.3 -3,-1.2 159,-0.2 -4,-0.4 -0.902 40.6 169.8-123.5 139.5 8.8 9.0 17.9 8 20 A V E -B 165 0B 42 157,-2.9 157,-2.7 -2,-0.4 2,-0.5 -0.997 25.9-141.7-145.1 149.1 10.1 9.8 21.4 9 21 A I E -B 164 0B 26 -2,-0.3 2,-0.7 155,-0.2 155,-0.2 -0.976 10.1-164.3-108.2 131.9 10.5 8.3 24.8 10 22 A L E > -B 163 0B 28 153,-3.6 153,-1.9 -2,-0.5 3,-1.7 -0.883 22.1-143.5-111.6 92.5 10.0 10.5 27.9 11 23 A R T 3 S- 0 0 148 -2,-0.7 151,-0.1 1,-0.3 149,-0.1 -0.422 76.0 -8.4 -71.8 132.3 11.5 8.6 30.7 12 24 A R T > S+ 0 0 103 147,-0.3 3,-1.4 -2,-0.2 4,-0.4 0.657 87.5 141.4 59.8 19.0 9.7 8.9 34.0 13 25 A F T < S+ 0 0 57 -3,-1.7 3,-0.3 1,-0.3 149,-0.2 0.895 76.3 38.0 -54.0 -40.8 7.5 11.6 32.5 14 26 A A T 3> S+ 0 0 0 147,-3.4 4,-1.0 -4,-0.3 -1,-0.3 0.253 85.6 106.9 -96.6 9.8 4.4 10.3 34.4 15 27 A F T X4 S+ 0 0 102 -3,-1.4 3,-0.8 146,-0.4 4,-0.4 0.936 82.2 44.0 -56.8 -48.4 6.3 9.4 37.6 16 28 A N T 34 S+ 0 0 158 -4,-0.4 3,-0.3 -3,-0.3 4,-0.2 0.820 117.9 44.9 -69.1 -31.0 4.9 12.2 39.6 17 29 A A T 3> S+ 0 0 27 -4,-0.2 4,-2.4 1,-0.2 3,-0.3 0.545 87.8 96.6 -85.0 -5.0 1.3 11.7 38.3 18 30 A A H S+ 0 0 116 -4,-0.4 4,-2.1 -3,-0.3 -1,-0.2 0.927 114.2 42.2 -61.0 -43.8 -0.4 7.5 42.1 20 32 A Q H > S+ 0 0 76 -3,-0.3 4,-2.4 -4,-0.2 -1,-0.2 0.899 111.7 55.9 -67.4 -39.1 -3.4 9.5 40.9 21 33 A L H X S+ 0 0 1 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.907 108.8 48.1 -56.6 -39.3 -3.4 7.7 37.6 22 34 A I H X S+ 0 0 15 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.900 107.6 53.2 -75.1 -38.0 -3.6 4.4 39.4 23 35 A R H X S+ 0 0 133 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.914 112.1 47.8 -56.1 -42.7 -6.5 5.6 41.6 24 36 A D H X S+ 0 0 27 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.845 105.7 55.9 -73.9 -30.2 -8.3 6.6 38.4 25 37 A I H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.935 108.1 50.3 -59.5 -45.0 -7.5 3.3 36.7 26 38 A N H X S+ 0 0 90 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.882 111.2 49.2 -62.0 -37.0 -9.2 1.6 39.7 27 39 A D H X S+ 0 0 86 -4,-1.7 4,-0.6 2,-0.2 -1,-0.2 0.916 111.2 48.2 -67.4 -46.1 -12.2 3.9 39.3 28 40 A V H >X S+ 0 0 1 -4,-2.8 4,-2.6 1,-0.2 3,-1.7 0.967 113.0 48.0 -58.4 -50.4 -12.5 3.2 35.6 29 41 A A H 3< S+ 0 0 18 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.710 99.2 67.5 -66.4 -21.1 -12.3 -0.6 36.1 30 42 A S H 3< S+ 0 0 88 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.734 114.9 29.9 -68.7 -18.7 -14.9 -0.4 38.9 31 43 A Q H << S+ 0 0 94 -3,-1.7 -2,-0.2 -4,-0.6 -1,-0.1 0.818 136.1 25.4-106.7 -47.7 -17.4 0.5 36.2 32 44 A S S < S- 0 0 1 -4,-2.6 -1,-0.3 -5,-0.1 19,-0.1 -0.891 92.1-146.0-117.2 94.9 -15.9 -1.3 33.1 33 45 A P - 0 0 52 0, 0.0 -3,-0.1 0, 0.0 16,-0.1 -0.118 23.1 -94.4 -61.6 154.0 -13.9 -4.2 34.6 34 46 A F + 0 0 26 -5,-0.1 2,-0.3 14,-0.1 16,-0.2 -0.422 51.6 174.8 -59.6 142.1 -10.7 -5.6 33.1 35 47 A R B -C 49 0B 28 14,-1.9 14,-3.2 -3,-0.1 2,-0.8 -0.989 35.1-119.2-149.2 150.2 -11.4 -8.5 30.8 36 48 A Q - 0 0 103 -2,-0.3 12,-0.2 12,-0.3 10,-0.0 -0.836 36.9-140.9 -89.4 115.3 -9.3 -10.6 28.5 37 49 A M - 0 0 14 -2,-0.8 8,-2.9 10,-0.4 2,-0.5 -0.303 6.4-126.5 -77.2 158.0 -10.7 -10.2 25.1 38 50 A V B -I 44 0C 68 6,-0.2 6,-0.2 21,-0.1 -1,-0.1 -0.894 24.0-126.1-106.6 130.8 -11.0 -13.1 22.5 39 51 A T > - 0 0 38 4,-2.8 3,-1.7 -2,-0.5 20,-0.1 -0.251 28.6-104.0 -66.1 162.8 -9.4 -12.5 19.1 40 52 A P T 3 S+ 0 0 54 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.873 124.8 56.9 -52.1 -36.6 -11.5 -13.1 15.9 41 53 A G T 3 S- 0 0 67 2,-0.1 20,-0.1 1,-0.1 -2,-0.0 0.524 124.4-104.4 -76.7 -7.3 -9.6 -16.4 15.6 42 54 A G S < S+ 0 0 49 -3,-1.7 2,-0.4 1,-0.3 -1,-0.1 0.579 75.1 131.0 102.3 11.4 -10.8 -17.5 19.0 43 55 A Y - 0 0 183 1,-0.0 -4,-2.8 0, 0.0 2,-0.4 -0.793 54.5-125.9 -98.5 137.9 -7.7 -17.1 21.2 44 56 A T B -I 38 0C 87 -2,-0.4 -6,-0.2 -6,-0.2 -7,-0.1 -0.697 27.3-122.1 -83.8 129.0 -7.9 -15.3 24.6 45 57 A M - 0 0 35 -8,-2.9 71,-0.1 -2,-0.4 -1,-0.1 -0.298 6.3-138.9 -66.4 148.9 -5.4 -12.5 25.0 46 58 A S S S+ 0 0 41 69,-0.3 65,-0.4 67,-0.1 2,-0.2 0.811 85.4 77.8 -78.4 -25.8 -3.0 -12.6 27.9 47 59 A V S S- 0 0 0 68,-0.4 2,-0.4 63,-0.1 -10,-0.4 -0.563 78.1-140.1 -80.3 135.3 -3.4 -8.9 28.6 48 60 A A E - D 0 109B 5 61,-2.5 61,-3.0 -2,-0.2 2,-0.3 -0.853 30.1-171.6 -94.5 144.9 -6.6 -7.9 30.5 49 61 A M E +CD 35 108B 4 -14,-3.2 -14,-1.9 -2,-0.4 2,-0.3 -0.909 25.1 165.3-137.6 158.6 -8.1 -4.7 29.2 50 62 A T E - D 0 107B 0 57,-1.9 57,-3.2 -2,-0.3 2,-0.3 -0.895 22.1-139.4-154.5-178.4 -10.7 -2.0 29.6 51 63 A N E - D 0 106B 1 -2,-0.3 2,-0.3 55,-0.2 55,-0.2 -0.980 9.1-165.8-142.9 156.8 -11.2 1.5 28.1 52 64 A C E + D 0 105B 0 53,-2.4 53,-2.2 -2,-0.3 3,-0.3 -0.909 51.0 52.7-137.1 167.9 -12.3 5.0 29.1 53 65 A G S S- 0 0 7 25,-2.4 24,-0.2 -2,-0.3 51,-0.2 -0.440 104.5 -50.8 100.5-175.7 -13.3 8.0 27.0 54 66 A H S S+ 0 0 152 49,-0.5 2,-0.3 -2,-0.1 50,-0.2 0.742 123.9 35.2 -73.3 -24.6 -15.8 8.3 24.2 55 67 A L B -e 104 0B 33 48,-1.8 50,-0.5 -3,-0.3 2,-0.4 -0.988 66.4-162.3-134.3 144.4 -14.5 5.2 22.3 56 68 A G E -J 67 0D 0 11,-2.2 11,-2.2 -2,-0.3 2,-0.3 -0.971 22.8-120.4-127.4 136.7 -13.1 1.9 23.4 57 69 A W E +J 66 0D 24 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.596 43.6 162.2 -75.5 134.9 -11.0 -0.6 21.5 58 70 A T E -J 65 0D 6 7,-2.0 7,-2.5 -2,-0.3 2,-0.3 -0.967 30.8-136.3-143.1 161.3 -12.7 -4.1 21.3 59 71 A T E +J 64 0D 21 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.760 24.9 170.1-104.8 163.2 -12.5 -7.3 19.4 60 72 A H E > -J 63 0D 69 3,-2.4 3,-1.4 -2,-0.3 -2,-0.0 -0.911 53.8 -79.7-151.7-171.1 -15.4 -9.2 18.1 61 73 A R T 3 S+ 0 0 207 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.855 126.9 49.7 -57.0 -36.2 -15.9 -12.2 15.8 62 74 A Q T 3 S- 0 0 138 1,-0.1 2,-0.3 -3,-0.0 -1,-0.3 0.461 121.5 -81.5 -87.7 -3.0 -15.6 -9.9 12.7 63 75 A G E < -J 60 0D 18 -3,-1.4 -3,-2.4 2,-0.0 2,-0.3 -0.989 68.7 -30.3 142.3-155.2 -12.4 -8.1 13.6 64 76 A Y E +J 59 0D 125 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.810 60.2 173.6-103.9 149.7 -11.2 -5.1 15.7 65 77 A L E -J 58 0D 77 -7,-2.5 -7,-2.0 -2,-0.3 2,-0.5 -0.993 32.3-130.9-156.3 141.0 -13.6 -2.2 16.3 66 78 A Y E -J 57 0D 32 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.0 -0.845 35.2-179.7 -89.5 134.8 -13.9 1.0 18.3 67 79 A S E -J 56 0D 17 -11,-2.2 -11,-2.2 -2,-0.5 10,-0.1 -0.985 36.7-144.1-134.4 146.6 -17.2 1.2 20.1 68 80 A P S S+ 0 0 78 0, 0.0 9,-1.0 0, 0.0 2,-0.4 0.613 89.0 67.8 -79.3 -9.0 -18.8 3.9 22.3 69 81 A I B S-K 76 0E 66 7,-0.2 -13,-0.1 -13,-0.1 -2,-0.0 -0.900 83.1-127.3-116.6 135.8 -20.4 1.0 24.3 70 82 A D > - 0 0 0 5,-2.8 4,-2.9 -2,-0.4 5,-0.5 -0.692 19.3-151.3 -75.4 117.2 -18.7 -1.6 26.6 71 83 A P T 4 S+ 0 0 76 0, 0.0 -1,-0.2 0, 0.0 -13,-0.0 0.694 92.1 55.6 -69.3 -12.5 -20.0 -4.9 25.2 72 84 A Q T 4 S+ 0 0 107 3,-0.1 -2,-0.0 1,-0.1 -40,-0.0 0.888 123.5 21.1 -84.1 -39.0 -19.6 -6.5 28.6 73 85 A T T 4 S- 0 0 37 2,-0.2 -1,-0.1 -3,-0.2 -41,-0.0 0.631 92.9-135.0 -99.6 -18.5 -21.7 -4.0 30.5 74 86 A N S < S+ 0 0 127 -4,-2.9 3,-0.1 1,-0.3 -5,-0.0 0.645 72.6 106.9 61.3 23.1 -23.8 -2.6 27.6 75 87 A K S S- 0 0 126 -5,-0.5 -5,-2.8 1,-0.1 -1,-0.3 -0.840 83.5 -82.9-120.8 159.0 -23.1 0.9 29.0 76 88 A P B -K 69 0E 93 0, 0.0 -7,-0.2 0, 0.0 -1,-0.1 -0.172 54.7 -97.2 -53.2 148.8 -20.8 3.6 27.7 77 89 A W - 0 0 10 -9,-1.0 -25,-0.2 -24,-0.2 3,-0.1 -0.327 55.7 -85.0 -57.5 154.1 -17.2 3.3 28.8 78 90 A P - 0 0 8 0, 0.0 -25,-2.4 0, 0.0 -1,-0.1 -0.345 55.7 -92.0 -60.0 149.7 -16.4 5.4 31.8 79 91 A A - 0 0 84 -27,-0.2 3,-0.0 1,-0.1 -25,-0.0 -0.237 49.3 -93.8 -56.0 148.0 -15.5 9.0 31.0 80 92 A M - 0 0 35 -28,-0.2 -1,-0.1 -3,-0.1 5,-0.0 -0.571 46.6-117.4 -64.8 122.8 -11.8 9.7 30.5 81 93 A P > - 0 0 17 0, 0.0 4,-2.4 0, 0.0 3,-0.5 -0.295 14.1-125.4 -60.3 143.6 -10.5 10.9 34.0 82 94 A Q H > S+ 0 0 137 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.849 111.4 60.9 -57.6 -32.0 -9.1 14.5 33.9 83 95 A S H > S+ 0 0 17 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.910 107.8 44.0 -60.4 -41.4 -5.8 13.1 35.4 84 96 A F H > S+ 0 0 0 -3,-0.5 4,-2.6 2,-0.2 -2,-0.2 0.929 115.2 47.9 -66.1 -49.9 -5.4 10.9 32.2 85 97 A H H X S+ 0 0 69 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.906 113.2 47.1 -62.8 -42.0 -6.4 13.7 29.9 86 98 A N H X S+ 0 0 72 -4,-3.0 4,-2.2 2,-0.2 5,-0.2 0.948 113.6 47.2 -68.1 -43.4 -4.1 16.3 31.6 87 99 A L H X S+ 0 0 4 -4,-2.2 4,-2.4 -5,-0.3 5,-0.2 0.928 112.0 51.7 -61.3 -45.9 -1.1 13.9 31.6 88 100 A C H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.898 109.3 49.1 -54.3 -47.6 -1.7 12.9 28.0 89 101 A Q H X S+ 0 0 76 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.915 112.2 48.2 -65.7 -40.5 -1.8 16.5 26.8 90 102 A R H X S+ 0 0 108 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.904 114.2 45.6 -66.3 -39.9 1.4 17.4 28.6 91 103 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.929 112.2 50.8 -71.4 -43.3 3.3 14.4 27.2 92 104 A A H <>S+ 0 0 1 -4,-2.9 5,-3.7 -5,-0.2 4,-0.2 0.894 111.6 48.8 -58.0 -44.7 2.0 15.0 23.7 93 105 A T H ><5S+ 0 0 62 -4,-2.1 3,-1.4 3,-0.2 -1,-0.2 0.930 111.0 49.3 -60.7 -45.4 3.1 18.6 23.9 94 106 A A H 3<5S+ 0 0 59 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.789 110.1 52.5 -66.9 -31.0 6.6 17.6 25.2 95 107 A A T 3<5S- 0 0 21 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.419 126.5 -98.8 -83.8 -3.6 6.9 15.1 22.4 96 108 A G T < 5S+ 0 0 54 -3,-1.4 -3,-0.2 -4,-0.2 -2,-0.1 0.675 96.2 107.1 95.8 19.4 6.0 17.7 19.7 97 109 A Y > < + 0 0 43 -5,-3.7 3,-1.5 -6,-0.2 -4,-0.1 -0.530 32.1 158.9-125.4 63.9 2.3 16.9 19.2 98 110 A P T 3 + 0 0 74 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 0.659 68.7 55.6 -66.4 -16.3 0.7 19.9 20.9 99 111 A D T 3 S+ 0 0 143 -7,-0.1 2,-0.1 -3,-0.1 -10,-0.0 0.414 73.4 131.8 -99.0 5.9 -2.6 19.6 19.1 100 112 A F < - 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