==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/DNA 30-NOV-07 3BIE . COMPND 2 MOLECULE: ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE ALKB; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K12; . AUTHOR C.YI,C.-G.YANG . 202 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9903.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 64.4 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 . 61 30.2 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 . 17 8.4 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 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 13 A E 0 0 212 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 122.9 19.3 8.9 19.8 2 14 A P - 0 0 94 0, 0.0 6,-0.2 0, 0.0 3,-0.1 -0.316 360.0-111.2 -70.5 160.5 15.5 9.4 19.5 3 15 A L S S- 0 0 10 4,-0.4 2,-0.3 1,-0.2 5,-0.2 0.928 78.9 -44.5 -60.4 -54.2 13.2 6.4 19.2 4 16 A A B > S-A 7 0A 26 3,-1.2 3,-2.3 0, 0.0 2,-0.5 -0.947 80.3 -54.2-164.2 174.3 12.1 7.0 15.6 5 17 A A T 3 S+ 0 0 48 1,-0.3 165,-0.8 -2,-0.3 162,-0.3 -0.520 131.7 3.1 -62.2 114.4 10.9 9.8 13.2 6 18 A G T 3 S+ 0 0 36 -2,-0.5 2,-0.4 1,-0.2 161,-0.4 0.521 116.5 106.3 81.9 7.6 8.0 11.3 15.1 7 19 A A B < +A 4 0A 7 -3,-2.3 -3,-1.2 159,-0.2 -4,-0.4 -0.944 40.0 166.7-124.3 142.8 8.5 9.0 18.0 8 20 A V E -B 165 0B 41 157,-2.6 157,-2.7 -2,-0.4 2,-0.5 -0.995 27.9-138.4-150.6 147.6 10.0 9.7 21.5 9 21 A I E -B 164 0B 26 -2,-0.3 2,-0.8 155,-0.2 155,-0.2 -0.961 12.1-162.0-106.5 127.1 10.3 8.1 25.0 10 22 A L E > -B 163 0B 28 153,-3.6 153,-2.0 -2,-0.5 3,-1.6 -0.875 21.4-142.4-107.7 94.3 9.8 10.4 27.9 11 23 A R T 3 S- 0 0 150 -2,-0.8 151,-0.1 1,-0.3 150,-0.1 -0.395 75.4 -9.4 -69.5 129.3 11.3 8.4 30.8 12 24 A R T > S+ 0 0 104 147,-0.3 3,-1.6 -2,-0.2 4,-0.4 0.627 87.7 141.5 60.0 19.1 9.5 8.7 34.1 13 25 A F T < S+ 0 0 56 -3,-1.6 3,-0.3 1,-0.3 149,-0.2 0.866 75.7 37.7 -55.0 -40.5 7.3 11.4 32.7 14 26 A A T 3> S+ 0 0 0 147,-3.4 4,-0.9 -4,-0.3 -1,-0.3 0.217 85.1 107.1 -98.7 13.1 4.2 10.1 34.5 15 27 A F T X4 S+ 0 0 103 -3,-1.6 3,-0.7 146,-0.3 4,-0.4 0.916 82.3 44.4 -58.3 -47.9 6.0 9.1 37.8 16 28 A N T 34 S+ 0 0 156 -4,-0.4 3,-0.3 -3,-0.3 4,-0.2 0.825 117.5 45.3 -67.1 -32.7 4.6 11.9 39.8 17 29 A A T 3> S+ 0 0 27 -4,-0.2 4,-2.1 1,-0.2 3,-0.4 0.540 88.1 97.6 -85.3 -8.0 1.1 11.4 38.5 18 30 A A H S+ 0 0 116 -4,-0.4 4,-1.8 -3,-0.3 -1,-0.2 0.895 114.0 44.4 -62.4 -41.5 -0.6 7.1 42.2 20 32 A Q H > S+ 0 0 78 -3,-0.4 4,-2.2 -4,-0.2 -1,-0.2 0.872 110.8 54.8 -68.4 -39.1 -3.6 9.2 41.0 21 33 A L H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.901 108.7 48.9 -60.0 -41.0 -3.6 7.4 37.7 22 34 A I H X S+ 0 0 14 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.876 108.4 52.4 -70.0 -38.6 -3.8 4.0 39.5 23 35 A R H X S+ 0 0 131 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.920 112.1 47.5 -58.7 -42.3 -6.7 5.2 41.7 24 36 A D H X S+ 0 0 27 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.807 106.3 56.3 -73.2 -29.7 -8.5 6.2 38.5 25 37 A I H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 -1,-0.2 0.944 108.6 48.8 -59.3 -48.9 -7.7 2.9 36.8 26 38 A N H X S+ 0 0 87 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.871 110.8 50.4 -58.4 -40.1 -9.5 1.2 39.7 27 39 A D H X S+ 0 0 88 -4,-1.7 4,-0.5 2,-0.2 -1,-0.2 0.912 112.3 46.0 -65.2 -45.5 -12.4 3.6 39.4 28 40 A V H >X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 3,-1.5 0.944 112.3 51.2 -60.7 -48.4 -12.8 2.9 35.6 29 41 A A H 3< S+ 0 0 18 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.721 99.3 64.9 -64.4 -23.3 -12.4 -0.9 36.2 30 42 A S H 3< S+ 0 0 86 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.731 115.0 31.0 -70.4 -21.2 -15.2 -0.8 38.9 31 43 A Q H << S+ 0 0 91 -3,-1.5 -2,-0.2 -4,-0.5 -1,-0.1 0.822 135.6 25.3-102.9 -50.1 -17.6 0.2 36.1 32 44 A S S < S- 0 0 2 -4,-2.7 -1,-0.3 -5,-0.1 19,-0.1 -0.899 92.5-144.5-115.8 96.3 -16.2 -1.5 33.1 33 45 A P - 0 0 52 0, 0.0 -3,-0.1 0, 0.0 16,-0.1 -0.150 22.8 -94.7 -60.9 151.5 -14.2 -4.5 34.5 34 46 A F + 0 0 28 -5,-0.1 2,-0.3 16,-0.1 16,-0.2 -0.415 50.7 178.6 -57.8 137.6 -11.0 -5.8 33.0 35 47 A R B -C 49 0B 25 14,-2.0 14,-3.0 -3,-0.1 2,-0.8 -0.993 33.5-123.9-144.2 146.2 -11.6 -8.7 30.6 36 48 A Q - 0 0 104 -2,-0.3 12,-0.2 12,-0.3 10,-0.1 -0.836 38.4-140.6 -89.5 112.1 -9.4 -10.8 28.4 37 49 A M - 0 0 14 -2,-0.8 8,-3.0 10,-0.5 2,-0.5 -0.332 5.5-124.9 -76.8 154.9 -10.9 -10.4 24.9 38 50 A V B -I 44 0C 70 6,-0.2 6,-0.2 21,-0.1 -1,-0.1 -0.880 22.5-130.1-103.5 128.2 -11.2 -13.2 22.4 39 51 A T > - 0 0 34 4,-3.1 3,-1.7 -2,-0.5 20,-0.1 -0.254 27.8-106.1 -67.3 158.1 -9.7 -12.8 18.9 40 52 A P T 3 S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.839 124.3 58.0 -49.3 -36.4 -11.6 -13.4 15.7 41 53 A G T 3 S- 0 0 67 2,-0.1 20,-0.1 1,-0.0 -2,-0.0 0.580 124.7-106.0 -73.2 -12.7 -9.6 -16.6 15.4 42 54 A G S < S+ 0 0 50 -3,-1.7 2,-0.4 1,-0.3 -1,-0.0 0.595 74.0 132.1 101.7 15.0 -10.9 -17.7 18.8 43 55 A Y - 0 0 180 1,-0.0 -4,-3.1 0, 0.0 2,-0.5 -0.805 54.6-125.2-100.9 140.9 -7.9 -17.2 21.1 44 56 A T B -I 38 0C 86 -2,-0.4 -6,-0.2 -6,-0.2 -7,-0.1 -0.721 28.0-123.7 -85.9 123.0 -8.1 -15.4 24.5 45 57 A M - 0 0 31 -8,-3.0 71,-0.1 -2,-0.5 69,-0.1 -0.316 6.9-139.1 -63.7 145.0 -5.6 -12.6 24.8 46 58 A S S S+ 0 0 40 69,-0.3 65,-0.4 67,-0.1 2,-0.3 0.783 84.5 80.4 -76.8 -29.3 -3.2 -12.8 27.8 47 59 A V S S- 0 0 0 68,-0.5 -10,-0.5 63,-0.1 2,-0.4 -0.634 78.3-139.2 -76.8 131.8 -3.6 -9.0 28.4 48 60 A A E - D 0 109B 4 61,-2.3 61,-2.8 -2,-0.3 2,-0.3 -0.796 29.5-168.4 -89.8 138.5 -6.7 -8.0 30.3 49 61 A M E +CD 35 108B 4 -14,-3.0 -14,-2.0 -2,-0.4 2,-0.3 -0.903 24.1 162.4-131.5 153.3 -8.3 -4.9 29.0 50 62 A T E - D 0 107B 0 57,-1.8 57,-3.2 -2,-0.3 2,-0.3 -0.906 22.1-139.3-149.4-179.8 -10.9 -2.2 29.6 51 63 A N E - D 0 106B 1 -2,-0.3 2,-0.3 55,-0.2 55,-0.2 -0.960 10.9-169.8-141.0 156.8 -11.5 1.3 28.2 52 64 A C E + D 0 105B 0 53,-2.3 53,-2.2 -2,-0.3 3,-0.3 -0.931 51.1 47.1-139.3 169.5 -12.5 4.8 29.1 53 65 A G E S- D 0 104B 8 25,-2.5 24,-0.2 -2,-0.3 51,-0.2 -0.450 107.0 -47.3 90.6-171.6 -13.5 7.9 27.1 54 66 A H S S+ 0 0 151 49,-0.5 2,-0.4 -2,-0.1 23,-0.2 0.837 123.6 37.4 -68.8 -35.5 -15.9 8.1 24.2 55 67 A L B -e 104 0B 30 48,-2.2 50,-0.5 -3,-0.3 2,-0.4 -0.952 64.5-163.2-125.8 140.4 -14.5 5.1 22.3 56 68 A G E -J 67 0D 0 11,-2.5 11,-2.4 -2,-0.4 2,-0.3 -0.973 21.8-123.9-124.2 133.8 -13.2 1.7 23.4 57 69 A W E +J 66 0D 24 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.577 41.9 165.0 -72.5 130.0 -11.1 -0.8 21.5 58 70 A T E -J 65 0D 6 7,-2.6 7,-2.4 -2,-0.3 2,-0.3 -0.966 34.7-123.0-141.2 158.4 -12.7 -4.2 21.4 59 71 A T E +J 64 0D 20 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.736 30.4 179.1 -94.6 154.5 -12.4 -7.5 19.6 60 72 A H E > -J 63 0D 99 3,-2.7 3,-0.5 -2,-0.3 -23,-0.0 -0.857 45.8 -99.9-141.8 171.1 -15.5 -9.0 17.8 61 73 A R T 3 S+ 0 0 231 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.878 125.4 47.2 -60.2 -36.9 -16.1 -12.1 15.7 62 74 A Q T 3 S- 0 0 154 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.508 126.6 -83.3 -86.8 -7.7 -15.8 -10.0 12.6 63 75 A G E < -J 60 0D 20 -3,-0.5 -3,-2.7 2,-0.0 2,-0.3 -0.997 69.0 -25.6 146.3-151.0 -12.6 -8.2 13.7 64 76 A Y E +J 59 0D 123 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.778 57.9 175.7-102.1 152.8 -11.5 -5.2 15.8 65 77 A L E -J 58 0D 83 -7,-2.4 -7,-2.6 -2,-0.3 2,-0.5 -0.996 32.7-132.5-156.1 142.9 -13.7 -2.2 16.5 66 78 A Y E -J 57 0D 25 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.0 -0.925 37.8-178.6 -95.3 125.8 -13.9 1.0 18.4 67 79 A S E -J 56 0D 15 -11,-2.4 -11,-2.5 -2,-0.5 10,-0.1 -0.960 37.6-145.5-128.6 142.9 -17.2 1.2 20.1 68 80 A P S S+ 0 0 78 0, 0.0 9,-1.1 0, 0.0 2,-0.4 0.624 89.6 65.7 -74.6 -13.5 -19.0 3.8 22.3 69 81 A I B S-K 76 0E 70 7,-0.2 -13,-0.1 -13,-0.1 -2,-0.0 -0.918 84.1-126.6-116.2 134.3 -20.6 0.9 24.3 70 82 A D > - 0 0 0 5,-2.8 4,-2.8 -2,-0.4 5,-0.4 -0.693 19.0-150.5 -71.8 115.9 -18.9 -1.7 26.4 71 83 A P T 4 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -13,-0.0 0.680 93.1 53.0 -67.9 -15.9 -20.2 -5.0 25.0 72 84 A Q T 4 S+ 0 0 110 3,-0.1 -40,-0.0 1,-0.1 -2,-0.0 0.891 123.3 23.6 -82.1 -44.3 -19.9 -6.7 28.4 73 85 A T T 4 S- 0 0 36 2,-0.2 -1,-0.1 -3,-0.1 -41,-0.0 0.644 92.7-136.4 -94.0 -20.5 -21.9 -4.2 30.4 74 86 A N S < S+ 0 0 127 -4,-2.8 3,-0.1 1,-0.3 -5,-0.0 0.664 72.1 106.7 63.3 21.3 -24.0 -2.8 27.5 75 87 A K S S- 0 0 122 -5,-0.4 -5,-2.8 1,-0.1 -1,-0.3 -0.824 83.2 -82.6-118.6 159.2 -23.3 0.7 29.0 76 88 A P B -K 69 0E 92 0, 0.0 -7,-0.2 0, 0.0 -1,-0.1 -0.207 54.5 -96.7 -53.1 151.6 -21.0 3.4 27.7 77 89 A W - 0 0 10 -9,-1.1 -25,-0.2 -23,-0.2 3,-0.1 -0.397 55.2 -86.7 -61.0 150.1 -17.4 3.2 28.7 78 90 A P - 0 0 7 0, 0.0 -25,-2.5 0, 0.0 -1,-0.1 -0.299 54.4 -92.5 -57.5 147.7 -16.6 5.2 31.8 79 91 A A - 0 0 85 -27,-0.2 3,-0.0 1,-0.1 -25,-0.0 -0.268 49.7 -93.9 -57.4 147.2 -15.7 8.9 31.1 80 92 A M - 0 0 33 -28,-0.2 -1,-0.1 -3,-0.1 5,-0.0 -0.533 46.7-115.9 -65.2 121.3 -12.0 9.5 30.7 81 93 A P > - 0 0 17 0, 0.0 4,-2.2 0, 0.0 3,-0.4 -0.269 14.5-125.0 -57.2 144.9 -10.6 10.6 34.1 82 94 A Q H > S+ 0 0 137 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.844 112.1 59.0 -59.4 -34.5 -9.3 14.2 34.2 83 95 A S H > S+ 0 0 16 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.889 107.5 46.4 -61.2 -40.4 -6.0 12.8 35.5 84 96 A F H > S+ 0 0 0 -3,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.951 114.5 46.0 -63.4 -53.3 -5.7 10.7 32.4 85 97 A H H X S+ 0 0 73 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.884 113.8 48.3 -62.5 -42.0 -6.5 13.5 30.0 86 98 A N H X S+ 0 0 71 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.919 113.3 46.4 -65.8 -45.0 -4.2 16.0 31.7 87 99 A L H X S+ 0 0 4 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.935 112.9 50.4 -62.1 -47.4 -1.3 13.6 31.8 88 100 A C H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.918 110.7 49.4 -55.6 -48.5 -1.8 12.7 28.1 89 101 A Q H X S+ 0 0 76 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.900 112.4 47.4 -58.7 -45.5 -2.0 16.3 27.1 90 102 A R H X S+ 0 0 106 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.901 114.8 46.3 -64.3 -42.1 1.2 17.2 29.0 91 103 A A H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.926 111.7 50.3 -66.8 -47.2 3.1 14.2 27.5 92 104 A A H <>S+ 0 0 1 -4,-3.0 5,-3.5 1,-0.2 4,-0.4 0.897 111.3 49.2 -57.0 -44.1 1.8 14.8 23.9 93 105 A T H ><5S+ 0 0 62 -4,-2.1 3,-1.3 1,-0.2 -1,-0.2 0.923 110.6 49.6 -62.0 -45.9 3.0 18.5 24.1 94 106 A A H 3<5S+ 0 0 58 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.808 110.0 52.7 -62.0 -30.6 6.4 17.4 25.5 95 107 A A T 3<5S- 0 0 20 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.479 126.8 -98.7 -86.1 -5.5 6.7 15.0 22.6 96 108 A G T < 5S+ 0 0 55 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.659 96.7 107.5 94.5 20.5 5.9 17.6 20.0 97 109 A Y > < + 0 0 43 -5,-3.5 3,-1.4 -6,-0.2 -4,-0.1 -0.541 31.2 156.7-122.8 65.3 2.2 16.9 19.5 98 110 A P T 3 + 0 0 74 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 0.643 69.1 55.7 -71.1 -14.8 0.5 19.8 21.2 99 111 A D T 3 S+ 0 0 142 -7,-0.1 2,-0.1 -3,-0.1 -10,-0.0 0.381 73.6 132.9 -98.8 2.4 -2.8 19.6 19.3 100 112 A F < - 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