==== 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 22-JUL-10 3O1U . 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) . 9719.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 60.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 14 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 7.4 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 . 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 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 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 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 0 199 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.9 19.7 8.2 19.2 2 14 A P - 0 0 93 0, 0.0 6,-0.2 0, 0.0 3,-0.1 -0.350 360.0-112.2 -65.8 151.9 16.0 8.8 19.0 3 15 A L S S- 0 0 8 4,-0.4 2,-0.3 1,-0.2 5,-0.2 0.903 80.1 -46.4 -53.3 -50.6 13.7 5.7 19.0 4 16 A A B > S-A 7 0A 26 3,-1.4 3,-2.7 0, 0.0 2,-0.3 -0.957 81.5 -52.0-170.0 173.0 12.6 6.2 15.3 5 17 A A T 3 S+ 0 0 44 1,-0.3 165,-0.6 -2,-0.3 162,-0.3 -0.468 132.0 2.6 -59.7 119.7 11.4 8.8 12.9 6 18 A G T 3 S+ 0 0 37 -2,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.517 117.2 106.7 79.1 6.2 8.5 10.5 14.7 7 19 A A B < +A 4 0A 7 -3,-2.7 -3,-1.4 159,-0.2 -4,-0.4 -0.938 40.0 166.8-125.5 141.0 9.1 8.2 17.7 8 20 A V E -B 165 0B 42 157,-2.4 157,-2.7 -2,-0.4 2,-0.5 -0.996 26.9-139.4-147.9 147.6 10.6 9.0 21.1 9 21 A I E -B 164 0B 26 -2,-0.3 2,-0.8 155,-0.2 155,-0.2 -0.963 11.0-162.0-107.8 128.7 10.9 7.5 24.6 10 22 A L E > -B 163 0B 28 153,-4.0 153,-2.0 -2,-0.5 3,-1.6 -0.871 21.6-142.2-108.2 95.7 10.5 9.8 27.5 11 23 A R T 3 S- 0 0 147 -2,-0.8 151,-0.2 1,-0.3 150,-0.1 -0.418 76.3 -9.8 -71.7 129.6 12.1 7.9 30.4 12 24 A R T > S+ 0 0 103 147,-0.3 3,-1.6 -2,-0.2 4,-0.5 0.632 89.0 140.3 61.7 17.0 10.3 8.1 33.7 13 25 A F T < S+ 0 0 73 -3,-1.6 3,-0.3 1,-0.3 4,-0.2 0.861 77.1 37.8 -53.8 -39.1 8.1 10.9 32.2 14 26 A A T 3> S+ 0 0 0 147,-3.5 4,-1.5 -4,-0.3 -1,-0.3 0.267 86.8 105.6 -98.6 8.4 5.1 9.5 34.0 15 27 A F T <4 S+ 0 0 102 -3,-1.6 4,-0.4 146,-0.4 3,-0.4 0.923 83.6 43.2 -56.2 -47.8 7.0 8.6 37.2 16 28 A N T 4 S+ 0 0 158 -4,-0.5 4,-0.3 -3,-0.3 3,-0.3 0.842 119.3 44.4 -69.6 -31.3 5.6 11.4 39.2 17 29 A A T > S+ 0 0 34 -4,-0.2 4,-2.4 1,-0.2 3,-0.4 0.610 88.8 95.7 -83.2 -13.7 2.1 10.9 37.8 18 30 A A H X S+ 0 0 0 -4,-1.5 4,-2.3 -3,-0.4 5,-0.2 0.815 76.9 53.1 -55.1 -45.0 2.2 7.1 38.2 19 31 A E H > S+ 0 0 115 -4,-0.4 4,-2.0 -3,-0.3 -1,-0.2 0.934 114.0 43.7 -59.1 -45.3 0.5 6.7 41.6 20 32 A Q H > S+ 0 0 75 -3,-0.4 4,-2.5 -4,-0.3 -1,-0.2 0.927 111.1 54.8 -64.4 -43.3 -2.6 8.7 40.5 21 33 A L H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.890 108.3 49.6 -56.2 -38.6 -2.6 6.9 37.1 22 34 A I H X S+ 0 0 14 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.887 107.4 52.8 -73.3 -37.8 -2.8 3.6 38.9 23 35 A R H X S+ 0 0 127 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.927 112.3 47.1 -56.4 -42.6 -5.6 4.7 41.1 24 36 A D H X S+ 0 0 29 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.862 106.1 56.4 -73.9 -33.3 -7.5 5.7 37.9 25 37 A I H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.936 108.3 49.4 -55.6 -44.7 -6.7 2.4 36.2 26 38 A N H X S+ 0 0 87 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.905 110.5 50.4 -63.8 -39.1 -8.4 0.7 39.2 27 39 A D H < S+ 0 0 87 -4,-1.9 4,-0.5 2,-0.2 -1,-0.2 0.911 111.3 47.1 -64.4 -45.5 -11.3 3.1 38.8 28 40 A V H >X S+ 0 0 1 -4,-2.9 4,-2.5 1,-0.2 3,-2.0 0.965 112.6 49.6 -60.5 -50.5 -11.7 2.4 35.1 29 41 A A H 3< S+ 0 0 18 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.716 98.3 67.6 -62.0 -23.6 -11.4 -1.4 35.6 30 42 A S T 3< S+ 0 0 90 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.701 114.2 30.8 -70.7 -14.6 -14.0 -1.3 38.4 31 43 A Q T <4 S+ 0 0 90 -3,-2.0 -2,-0.2 -4,-0.5 -1,-0.1 0.795 134.8 25.5-109.9 -49.3 -16.5 -0.4 35.6 32 44 A S S < S- 0 0 2 -4,-2.5 -1,-0.3 -5,-0.1 19,-0.1 -0.870 93.8-143.4-116.8 94.9 -15.2 -2.1 32.6 33 45 A P - 0 0 51 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.046 22.5 -94.7 -57.7 153.1 -13.2 -5.0 34.0 34 46 A F + 0 0 27 -5,-0.1 2,-0.3 14,-0.1 16,-0.2 -0.469 51.5 179.8 -60.8 136.5 -10.0 -6.3 32.6 35 47 A R B -C 49 0B 26 14,-2.2 14,-3.0 -2,-0.1 2,-0.8 -0.996 33.0-124.2-139.8 144.2 -10.7 -9.2 30.3 36 48 A Q - 0 0 105 -2,-0.3 12,-0.2 12,-0.3 2,-0.1 -0.818 38.9-138.4 -85.2 116.2 -8.5 -11.4 28.3 37 49 A M - 0 0 11 -2,-0.8 8,-3.2 10,-0.5 2,-0.5 -0.346 4.4-127.3 -78.6 154.8 -10.0 -11.0 24.8 38 50 A V B -H 44 0C 72 6,-0.2 6,-0.2 21,-0.1 -1,-0.1 -0.875 23.4-127.8-104.0 129.6 -10.4 -13.9 22.3 39 51 A T > - 0 0 35 4,-3.0 3,-1.8 -2,-0.5 20,-0.0 -0.234 27.6-105.7 -67.5 161.1 -9.0 -13.5 18.8 40 52 A P T 3 S+ 0 0 57 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.857 124.2 56.9 -52.7 -33.0 -11.1 -14.0 15.7 41 53 A G T 3 S- 0 0 68 2,-0.1 20,-0.1 1,-0.0 -2,-0.0 0.501 125.4-102.6 -80.6 -5.9 -9.2 -17.3 15.3 42 54 A G S < S+ 0 0 50 -3,-1.8 2,-0.4 1,-0.3 -1,-0.0 0.576 75.0 132.5 102.7 14.3 -10.3 -18.4 18.8 43 55 A Y - 0 0 180 1,-0.0 -4,-3.0 0, 0.0 2,-0.5 -0.814 54.0-126.3 -99.4 137.8 -7.3 -17.9 21.0 44 56 A T B -H 38 0C 86 -2,-0.4 -6,-0.2 -6,-0.2 -7,-0.1 -0.685 27.6-125.8 -82.6 122.7 -7.4 -16.1 24.4 45 57 A M - 0 0 33 -8,-3.2 71,-0.1 -2,-0.5 69,-0.0 -0.316 6.4-139.3 -64.4 146.5 -4.9 -13.3 24.6 46 58 A S S S+ 0 0 40 69,-0.3 65,-0.4 67,-0.1 2,-0.3 0.783 84.4 79.7 -80.5 -27.1 -2.5 -13.4 27.6 47 59 A V S S- 0 0 1 68,-0.4 -10,-0.5 63,-0.1 2,-0.4 -0.587 79.0-138.7 -74.9 134.5 -2.7 -9.7 28.2 48 60 A A E - D 0 109B 3 61,-2.5 61,-2.9 -2,-0.3 2,-0.3 -0.852 29.7-168.6 -93.8 140.4 -5.9 -8.6 30.0 49 61 A M E +CD 35 108B 3 -14,-3.0 -14,-2.2 -2,-0.4 2,-0.3 -0.897 24.2 161.2-131.6 155.0 -7.5 -5.5 28.6 50 62 A T E - D 0 107B 0 57,-1.8 57,-3.2 -2,-0.3 2,-0.3 -0.897 22.1-141.0-150.0-179.7 -10.0 -2.8 29.1 51 63 A N E - D 0 106B 0 -2,-0.3 2,-0.3 55,-0.3 55,-0.2 -0.966 10.0-168.2-140.7 160.2 -10.6 0.7 27.7 52 64 A C E + D 0 105B 0 53,-2.4 53,-2.3 -2,-0.3 3,-0.3 -0.934 50.9 52.4-140.1 170.6 -11.7 4.2 28.7 53 65 A G S S- 0 0 8 25,-2.8 24,-0.2 -2,-0.3 51,-0.2 -0.433 105.6 -49.5 92.7-177.2 -12.6 7.3 26.6 54 66 A H S S+ 0 0 149 49,-0.5 2,-0.4 -2,-0.1 23,-0.2 0.822 124.6 37.5 -67.5 -31.4 -15.1 7.5 23.8 55 67 A L - 0 0 33 48,-2.0 50,-0.4 -3,-0.3 2,-0.4 -0.980 65.8-163.7-127.9 132.4 -13.9 4.4 21.8 56 68 A G E -I 67 0D 0 11,-2.7 11,-2.1 -2,-0.4 2,-0.3 -0.926 20.7-126.9-113.5 137.5 -12.5 1.1 23.2 57 69 A W E +I 66 0D 27 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.667 40.2 160.8 -80.9 134.4 -10.5 -1.4 21.1 58 70 A T E -I 65 0D 3 7,-2.2 7,-2.5 -2,-0.3 2,-0.2 -0.973 36.4-116.8-146.2 160.8 -11.9 -5.0 21.2 59 71 A T E -I 64 0D 19 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.631 29.9-175.3 -93.0 162.0 -11.8 -8.2 19.3 60 72 A H E > -I 63 0D 85 3,-2.7 3,-1.0 -2,-0.2 -23,-0.0 -0.927 43.3-101.8-146.9 165.2 -14.8 -9.7 17.6 61 73 A R T 3 S+ 0 0 228 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.870 126.3 45.2 -57.5 -34.3 -15.5 -12.9 15.7 62 74 A Q T 3 S- 0 0 155 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.515 128.0 -78.7 -90.4 -7.2 -15.2 -10.9 12.5 63 75 A G E < -I 60 0D 20 -3,-1.0 -3,-2.7 2,-0.0 2,-0.3 -0.999 69.3 -29.5 151.2-153.4 -12.1 -8.9 13.5 64 76 A Y E -I 59 0D 110 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.827 57.5-178.7-103.5 150.5 -11.0 -6.0 15.6 65 77 A L E -I 58 0D 86 -7,-2.5 -7,-2.2 -2,-0.3 2,-0.5 -0.999 29.1-136.2-149.6 139.9 -13.3 -3.1 16.2 66 78 A Y E +I 57 0D 34 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.0 -0.889 36.6 176.5 -91.0 133.8 -13.4 0.3 17.9 67 79 A S E -I 56 0D 16 -11,-2.1 -11,-2.7 -2,-0.5 10,-0.1 -0.998 40.8-143.4-140.3 143.7 -16.7 0.6 19.7 68 80 A P S S+ 0 0 77 0, 0.0 9,-1.2 0, 0.0 2,-0.4 0.634 91.3 67.3 -74.4 -12.1 -18.3 3.2 22.0 69 81 A I B S-J 76 0E 67 7,-0.2 -13,-0.1 -13,-0.1 -15,-0.0 -0.908 84.3-126.7-117.2 134.8 -19.8 0.3 24.0 70 82 A D > - 0 0 0 5,-3.3 4,-3.2 -2,-0.4 5,-0.5 -0.672 18.5-150.9 -73.5 116.1 -18.0 -2.4 26.1 71 83 A P T 4 S+ 0 0 65 0, 0.0 -1,-0.2 0, 0.0 -13,-0.0 0.703 93.9 53.7 -66.1 -16.9 -19.3 -5.7 24.6 72 84 A Q T 4 S+ 0 0 107 3,-0.1 -2,-0.0 1,-0.1 -40,-0.0 0.874 124.0 22.3 -82.6 -39.9 -18.9 -7.3 28.0 73 85 A T T 4 S- 0 0 37 2,-0.2 -1,-0.1 -3,-0.2 -41,-0.0 0.624 92.4-136.1 -99.0 -18.8 -20.9 -4.8 30.0 74 86 A N S < S+ 0 0 126 -4,-3.2 3,-0.0 1,-0.3 -5,-0.0 0.680 72.2 108.2 61.4 20.3 -23.0 -3.4 27.1 75 87 A K S S- 0 0 122 -5,-0.5 -5,-3.3 1,-0.1 -1,-0.3 -0.834 82.9 -83.1-117.6 160.3 -22.3 -0.0 28.6 76 88 A P B -J 69 0E 90 0, 0.0 -7,-0.2 0, 0.0 -1,-0.1 -0.223 53.9 -98.7 -54.8 149.5 -20.1 2.8 27.3 77 89 A W - 0 0 10 -9,-1.2 -25,-0.2 -23,-0.2 3,-0.1 -0.374 55.3 -86.2 -60.3 151.5 -16.5 2.5 28.3 78 90 A P - 0 0 8 0, 0.0 -25,-2.8 0, 0.0 -1,-0.1 -0.269 53.7 -92.3 -59.4 150.8 -15.6 4.6 31.3 79 91 A A - 0 0 85 -27,-0.2 3,-0.0 1,-0.1 -25,-0.0 -0.279 49.3 -94.6 -59.3 150.3 -14.8 8.2 30.6 80 92 A M - 0 0 33 -28,-0.2 -1,-0.1 -3,-0.1 5,-0.0 -0.568 46.2-115.4 -69.8 121.1 -11.1 8.9 30.1 81 93 A P > - 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