==== 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-JUN-09 3I3M . COMPND 2 MOLECULE: ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE ALKB; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR B.YU,J.F.HUNT . 200 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9535.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 65.5 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 . 59 29.5 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 . 17 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 13.5 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 0 2 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 2 2 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 0 1 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 15 A L 0 0 57 0, 0.0 2,-0.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -37.8 -9.6 22.6 -2.4 2 16 A A B > -A 5 0A 33 3,-1.3 3,-2.5 0, 0.0 2,-0.4 -0.954 360.0 -43.3-174.3 177.4 -8.8 26.2 -1.4 3 17 A A T 3 S+ 0 0 45 1,-0.3 165,-1.0 -2,-0.3 162,-0.3 -0.447 132.7 0.3 -61.2 116.9 -7.6 29.5 -2.8 4 18 A G T 3 S+ 0 0 35 -2,-0.4 161,-0.6 1,-0.2 2,-0.4 0.542 117.7 101.2 80.8 7.4 -4.7 28.5 -5.1 5 19 A A E < +AB 2 164A 10 -3,-2.5 -3,-1.3 159,-0.2 2,-0.3 -0.946 40.8 165.0-127.7 147.3 -5.1 24.8 -4.3 6 20 A V E - B 0 163A 50 157,-2.5 157,-2.6 -2,-0.4 2,-0.6 -0.993 29.7-131.1-156.1 155.5 -6.7 21.9 -6.2 7 21 A I E - B 0 162A 20 -2,-0.3 2,-1.1 155,-0.2 155,-0.2 -0.956 11.2-162.2-115.1 118.1 -6.8 18.1 -6.2 8 22 A L E > - B 0 161A 31 153,-3.6 153,-1.9 -2,-0.6 3,-1.5 -0.777 22.0-149.3 -97.8 87.7 -6.3 16.4 -9.5 9 23 A R T 3 S- 0 0 139 -2,-1.1 151,-0.2 1,-0.3 150,-0.1 -0.401 74.1 -4.8 -65.8 130.3 -7.7 13.0 -8.7 10 24 A R T > S+ 0 0 103 147,-0.3 3,-1.9 -2,-0.2 4,-0.4 0.532 89.4 136.5 64.9 10.6 -6.1 10.1 -10.6 11 25 A F T < S+ 0 0 58 -3,-1.5 3,-0.3 1,-0.3 149,-0.2 0.856 74.6 40.2 -53.4 -41.1 -4.0 12.6 -12.6 12 26 A A T 3> S+ 0 0 0 147,-3.2 4,-1.3 -4,-0.3 -1,-0.3 0.226 83.0 109.8 -95.6 14.2 -0.8 10.4 -12.2 13 27 A F T X4 S+ 0 0 119 -3,-1.9 3,-0.6 146,-0.3 4,-0.4 0.925 79.1 45.6 -54.8 -51.5 -2.6 7.1 -12.7 14 28 A N T 34 S+ 0 0 158 -4,-0.4 4,-0.3 -3,-0.3 3,-0.3 0.816 117.4 44.8 -64.3 -30.8 -1.0 6.4 -16.1 15 29 A A T 3> S+ 0 0 29 -4,-0.2 4,-2.6 1,-0.2 3,-0.3 0.577 86.1 97.3 -90.1 -10.3 2.5 7.4 -15.0 16 30 A A H S+ 0 0 107 -4,-0.4 4,-1.8 -3,-0.3 -1,-0.2 0.931 114.6 43.9 -58.9 -46.6 4.2 2.4 -12.7 18 32 A Q H > S+ 0 0 85 -4,-0.3 4,-2.2 -3,-0.3 -1,-0.2 0.897 111.7 54.1 -65.0 -41.2 7.1 4.3 -14.2 19 33 A L H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.910 109.2 48.0 -59.7 -43.1 7.2 6.7 -11.2 20 34 A I H X S+ 0 0 13 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.862 108.3 54.3 -67.4 -35.6 7.5 3.7 -8.8 21 35 A R H X S+ 0 0 136 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.918 111.2 46.2 -63.6 -41.5 10.3 2.2 -10.9 22 36 A D H X S+ 0 0 23 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.798 105.8 58.9 -71.9 -28.1 12.2 5.5 -10.7 23 37 A I H X S+ 0 0 0 -4,-1.7 4,-2.9 1,-0.2 -1,-0.2 0.945 106.6 49.6 -62.6 -45.1 11.5 5.7 -6.9 24 38 A N H X S+ 0 0 80 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.874 110.0 50.0 -60.8 -39.2 13.3 2.3 -6.7 25 39 A D H X S+ 0 0 108 -4,-1.5 4,-0.8 2,-0.2 3,-0.3 0.915 111.8 47.6 -66.4 -42.7 16.2 3.6 -8.7 26 40 A V H >X S+ 0 0 5 -4,-2.5 4,-2.7 1,-0.2 3,-1.2 0.942 109.9 53.1 -62.5 -46.0 16.5 6.7 -6.6 27 41 A A H 3< S+ 0 0 17 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.744 96.7 68.1 -62.1 -24.5 16.4 4.6 -3.4 28 42 A S H 3< S+ 0 0 100 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.852 113.4 29.0 -64.4 -33.3 19.2 2.5 -4.7 29 43 A Q H << S+ 0 0 80 -3,-1.2 -2,-0.2 -4,-0.8 -1,-0.2 0.869 136.8 26.8 -91.3 -47.8 21.6 5.4 -4.3 30 44 A S S < S- 0 0 0 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.1 -0.862 89.4-147.9-119.2 93.9 19.9 7.2 -1.4 31 45 A P - 0 0 51 0, 0.0 2,-0.1 0, 0.0 16,-0.1 -0.111 25.7 -94.9 -59.2 154.0 18.0 4.6 0.6 32 46 A F + 0 0 28 16,-0.1 2,-0.3 14,-0.1 16,-0.2 -0.464 52.9 176.0 -66.0 141.4 14.8 5.4 2.5 33 47 A R B -C 47 0A 23 14,-2.0 14,-3.1 -2,-0.1 2,-0.9 -0.993 36.5-117.3-148.6 149.6 15.5 6.3 6.1 34 48 A Q - 0 0 103 -2,-0.3 12,-0.2 12,-0.3 10,-0.1 -0.810 39.5-142.4 -90.3 107.8 13.5 7.4 9.0 35 49 A M - 0 0 11 -2,-0.9 8,-2.9 10,-0.4 2,-0.5 -0.280 5.1-127.3 -69.7 155.2 14.9 10.9 9.9 36 50 A V B -I 42 0B 69 6,-0.2 6,-0.2 21,-0.1 -1,-0.1 -0.913 25.5-124.5-106.4 125.7 15.3 12.1 13.4 37 51 A T > - 0 0 34 4,-2.8 3,-2.8 -2,-0.5 4,-0.2 -0.165 28.3-104.1 -65.8 161.5 13.8 15.5 14.2 38 52 A P T 3 S+ 0 0 28 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.695 125.0 61.3 -58.5 -14.8 15.8 18.4 15.6 39 53 A G T 3 S- 0 0 59 2,-0.1 20,-0.1 21,-0.0 -2,-0.1 0.522 124.0-102.5 -89.2 -8.2 14.1 17.4 18.8 40 54 A G S < S+ 0 0 54 -3,-2.8 2,-0.4 1,-0.3 19,-0.0 0.752 76.0 130.0 94.3 28.2 15.5 13.9 18.8 41 55 A Y - 0 0 170 -4,-0.2 -4,-2.8 0, 0.0 2,-0.5 -0.946 55.5-126.6-121.1 135.9 12.6 11.8 17.6 42 56 A T B -I 36 0B 95 -2,-0.4 -6,-0.2 -6,-0.2 2,-0.1 -0.642 29.7-129.1 -79.5 124.1 12.5 9.2 14.8 43 57 A M - 0 0 30 -8,-2.9 71,-0.1 -2,-0.5 -1,-0.1 -0.426 2.6-138.8 -71.9 145.0 9.8 9.9 12.3 44 58 A S S S+ 0 0 52 69,-0.4 65,-0.4 -2,-0.1 2,-0.3 0.814 86.8 78.5 -74.3 -28.5 7.3 7.1 11.4 45 59 A V S S- 0 0 0 68,-0.4 -10,-0.4 63,-0.1 2,-0.4 -0.621 78.6-140.3 -81.1 137.1 7.5 8.1 7.7 46 60 A A E - D 0 107A 4 61,-2.3 61,-2.9 -2,-0.3 2,-0.3 -0.820 28.2-173.3 -96.7 139.0 10.7 7.0 5.8 47 61 A M E +CD 33 106A 3 -14,-3.1 -14,-2.0 -2,-0.4 2,-0.3 -0.849 22.9 165.0-133.9 165.9 12.1 9.5 3.4 48 62 A T E - D 0 105A 0 57,-1.4 57,-3.0 -2,-0.3 2,-0.3 -0.913 22.5-137.9-161.9 173.7 14.7 10.1 0.7 49 63 A N E - D 0 104A 1 -2,-0.3 2,-0.3 55,-0.2 55,-0.2 -0.946 12.1-171.4-141.4 162.2 15.2 12.9 -1.9 50 64 A C E + D 0 103A 0 53,-1.7 53,-1.8 -2,-0.3 27,-0.2 -0.961 50.9 53.9-147.9 159.2 16.2 13.5 -5.5 51 65 A G S S- 0 0 10 25,-2.7 51,-0.2 -2,-0.3 24,-0.2 -0.565 106.1 -51.6 105.7-173.8 16.9 16.6 -7.5 52 66 A H S S+ 0 0 109 49,-0.5 2,-0.4 -2,-0.2 23,-0.2 0.870 123.6 37.2 -68.7 -37.1 19.4 19.3 -6.6 53 67 A L B -e 102 0A 19 48,-2.5 50,-0.6 -3,-0.2 2,-0.4 -0.922 65.6-161.8-122.1 144.5 18.2 19.8 -3.0 54 68 A G E -J 65 0C 0 11,-2.0 11,-1.8 -2,-0.4 2,-0.3 -0.970 23.2-121.6-125.4 138.0 16.8 17.4 -0.4 55 69 A W E +J 64 0C 23 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.599 45.4 163.6 -75.6 132.9 14.8 18.2 2.7 56 70 A T E -J 63 0C 7 7,-2.5 7,-2.3 -2,-0.3 2,-0.3 -0.926 35.1-117.0-145.6 168.6 16.6 17.0 5.8 57 71 A T - 0 0 27 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.801 26.3-166.9-108.0 151.8 16.6 17.3 9.6 58 72 A H > - 0 0 113 3,-0.4 3,-0.7 -2,-0.3 5,-0.0 -0.847 45.0 -88.3-131.3 167.1 19.6 18.7 11.6 59 73 A R T 3 S+ 0 0 221 1,-0.3 2,-0.2 -2,-0.3 3,-0.1 0.851 124.7 11.3 -42.8 -39.7 20.5 18.7 15.3 60 74 A Q T 3 S+ 0 0 160 1,-0.3 -1,-0.3 -21,-0.1 -23,-0.0 -0.707 126.0 9.4-146.7 89.9 18.5 21.9 15.4 61 75 A G S < S- 0 0 26 -3,-0.7 -3,-0.4 -2,-0.2 -1,-0.3 0.108 71.9 -96.5 115.6 133.6 16.3 22.9 12.5 62 76 A Y + 0 0 112 -5,-0.2 2,-0.3 -3,-0.1 -5,-0.2 -0.391 51.2 161.9 -72.8 155.9 15.1 21.5 9.2 63 77 A L E -J 56 0C 53 -7,-2.3 -7,-2.5 -2,-0.1 2,-0.4 -0.984 37.3-109.4-169.4 162.7 17.1 22.4 6.1 64 78 A Y E +J 55 0C 39 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.0 -0.799 34.1 176.1-101.6 144.3 17.8 21.7 2.5 65 79 A S E -J 54 0C 31 -11,-1.8 -11,-2.0 -2,-0.4 10,-0.1 -0.996 37.1-140.6-146.6 146.8 21.1 20.2 1.4 66 80 A P S S+ 0 0 62 0, 0.0 9,-1.3 0, 0.0 2,-0.4 0.581 89.8 74.9 -82.1 -6.4 22.6 19.0 -1.9 67 81 A I B S-K 74 0D 64 7,-0.2 -13,-0.1 -13,-0.1 -15,-0.0 -0.905 82.4-129.3-113.1 132.4 24.2 16.2 0.1 68 82 A D > - 0 0 0 5,-2.9 4,-2.6 -2,-0.4 5,-0.4 -0.652 18.3-150.5 -73.6 116.5 22.5 13.1 1.6 69 83 A P T 4 S+ 0 0 72 0, 0.0 -1,-0.2 0, 0.0 -13,-0.0 0.663 92.1 50.0 -67.3 -14.5 23.6 13.1 5.2 70 84 A Q T 4 S+ 0 0 105 3,-0.1 -40,-0.0 -39,-0.1 -2,-0.0 0.890 123.5 26.1 -88.3 -45.7 23.4 9.3 5.4 71 85 A T T 4 S- 0 0 34 2,-0.2 -1,-0.1 -40,-0.1 -41,-0.0 0.695 93.6-138.5 -88.2 -21.8 25.4 8.4 2.3 72 86 A N S < S+ 0 0 120 -4,-2.6 3,-0.0 1,-0.3 -5,-0.0 0.687 70.3 106.1 67.1 22.6 27.5 11.6 2.4 73 87 A K S S- 0 0 106 -5,-0.4 -5,-2.9 1,-0.1 -1,-0.3 -0.799 83.1 -80.1-122.9 163.6 27.0 11.7 -1.4 74 88 A P B -K 67 0D 78 0, 0.0 -7,-0.2 0, 0.0 -1,-0.1 -0.224 52.9-100.7 -61.6 156.1 24.8 13.9 -3.6 75 89 A W - 0 0 12 -9,-1.3 -25,-0.2 -23,-0.2 3,-0.1 -0.416 49.7 -89.4 -72.5 155.9 21.1 13.0 -3.8 76 90 A P - 0 0 9 0, 0.0 -25,-2.7 0, 0.0 -1,-0.1 -0.284 51.7 -98.2 -62.2 154.0 20.2 11.3 -7.1 77 91 A A - 0 0 83 -27,-0.2 -25,-0.0 1,-0.1 -28,-0.0 -0.297 49.2 -83.4 -70.5 161.4 19.2 13.6 -9.9 78 92 A M - 0 0 40 -28,-0.2 -1,-0.1 1,-0.1 -26,-0.0 -0.502 50.2-119.6 -66.6 121.3 15.5 14.2 -10.6 79 93 A P > - 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