==== 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 30-JUN-09 3I3Q . COMPND 2 MOLECULE: ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE ALKB; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR B.YU,J.F.HUNT . 406 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18479.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 266 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 123 30.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 34 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 . 9 2 5 2 6 2 2 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 . 2 0 2 0 0 0 1 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 13 A E 0 0 138 0, 0.0 8,-2.0 0, 0.0 2,-1.6 0.000 360.0 360.0 360.0 137.7 17.5 28.2 35.6 2 14 A P + 0 0 116 0, 0.0 6,-0.2 0, 0.0 3,-0.1 -0.552 360.0 174.9 -74.7 76.2 18.3 28.0 39.4 3 15 A L - 0 0 7 -2,-1.6 2,-0.3 4,-0.4 5,-0.2 0.854 58.3 -39.2 -55.6 -46.4 16.4 24.9 40.2 4 16 A A B > S-A 7 0A 30 3,-1.2 3,-2.8 142,-0.0 2,-0.2 -0.950 88.9 -49.0-169.6 173.7 17.4 24.5 43.9 5 17 A A T 3 S+ 0 0 45 -2,-0.3 165,-0.6 1,-0.3 162,-0.3 -0.455 133.7 4.8 -59.5 121.0 20.5 25.0 46.1 6 18 A G T 3 S+ 0 0 35 -2,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.422 115.9 104.0 82.0 4.7 23.2 23.2 44.1 7 19 A A B < +A 4 0A 3 -3,-2.8 -3,-1.2 159,-0.2 -4,-0.4 -0.919 40.6 171.4-125.5 141.9 20.8 22.4 41.2 8 20 A V E -B 165 0B 38 157,-2.5 157,-2.5 -2,-0.4 2,-0.5 -0.983 27.0-139.1-143.5 153.0 20.4 23.8 37.7 9 21 A I E -B 164 0B 4 -8,-2.0 2,-0.8 -2,-0.3 155,-0.2 -0.980 13.9-164.0-110.8 125.0 18.6 23.1 34.4 10 22 A L E > -B 163 0B 31 153,-3.5 153,-1.8 -2,-0.5 3,-1.6 -0.860 22.5-143.9-106.4 89.6 20.8 23.7 31.4 11 23 A R T 3 S- 0 0 107 -2,-0.8 151,-0.1 1,-0.3 149,-0.1 -0.345 73.3 -8.9 -66.7 131.3 18.1 23.8 28.6 12 24 A R T > S+ 0 0 104 147,-0.2 3,-1.5 1,-0.1 4,-0.4 0.641 88.2 141.0 58.0 21.7 19.1 22.3 25.3 13 25 A F T < S+ 0 0 54 -3,-1.6 3,-0.2 1,-0.3 149,-0.2 0.835 75.2 37.7 -60.1 -37.1 22.6 21.9 26.5 14 26 A A T 3> S+ 0 0 0 147,-3.1 4,-1.3 -4,-0.3 -1,-0.3 0.202 84.6 108.9 -98.4 13.7 23.0 18.6 24.8 15 27 A F T <4 S+ 0 0 104 -3,-1.5 3,-0.4 146,-0.3 4,-0.4 0.927 81.5 43.5 -59.7 -47.7 21.0 19.4 21.7 16 28 A N T 4 S+ 0 0 154 -4,-0.4 3,-0.3 -3,-0.2 4,-0.3 0.860 117.6 46.8 -66.7 -32.1 24.0 19.6 19.3 17 29 A A T > S+ 0 0 25 -4,-0.2 4,-2.5 1,-0.2 3,-0.4 0.635 88.2 95.1 -83.7 -10.9 25.5 16.4 20.8 18 30 A A H X S+ 0 0 1 -4,-1.3 4,-2.7 -3,-0.4 5,-0.2 0.810 77.6 52.2 -53.6 -43.7 22.2 14.5 20.7 19 31 A E H > S+ 0 0 99 -4,-0.4 4,-2.0 -3,-0.3 -1,-0.2 0.937 114.3 44.2 -59.6 -47.3 22.5 12.6 17.5 20 32 A Q H > S+ 0 0 91 -3,-0.4 4,-2.1 -4,-0.3 -1,-0.2 0.888 112.0 53.7 -63.5 -42.4 25.9 11.2 18.5 21 33 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.925 108.9 48.0 -61.4 -42.5 24.6 10.4 22.0 22 34 A I H X S+ 0 0 11 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.901 109.1 53.3 -67.5 -38.2 21.7 8.4 20.6 23 35 A R H X S+ 0 0 128 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.906 110.8 47.6 -60.7 -41.3 23.9 6.5 18.2 24 36 A D H X S+ 0 0 29 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.862 107.4 56.1 -69.4 -32.8 26.1 5.6 21.2 25 37 A I H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.950 109.0 47.6 -61.4 -46.4 23.0 4.5 23.2 26 38 A N H X S+ 0 0 87 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.897 111.2 50.7 -61.8 -38.0 22.1 2.1 20.4 27 39 A D H X S+ 0 0 86 -4,-1.9 4,-0.6 2,-0.2 3,-0.4 0.940 112.2 47.1 -64.5 -47.7 25.7 0.8 20.4 28 40 A V H >X S+ 0 0 1 -4,-2.8 4,-2.7 1,-0.2 3,-1.5 0.941 111.9 50.1 -59.1 -45.2 25.7 0.2 24.1 29 41 A A H 3< S+ 0 0 17 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.713 98.0 66.3 -69.4 -21.3 22.3 -1.5 24.0 30 42 A S H 3< S+ 0 0 89 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.712 114.7 32.6 -68.3 -20.3 23.4 -3.8 21.2 31 43 A Q H << S+ 0 0 95 -3,-1.5 -2,-0.2 -4,-0.6 -1,-0.1 0.839 134.6 23.8 -98.0 -54.5 25.8 -5.3 23.9 32 44 A S S < S- 0 0 1 -4,-2.7 -1,-0.3 19,-0.1 19,-0.2 -0.922 92.5-142.6-115.3 100.2 23.8 -4.9 27.1 33 45 A P - 0 0 54 0, 0.0 16,-0.1 0, 0.0 -3,-0.1 -0.172 20.6 -96.1 -66.0 153.0 20.1 -4.8 26.1 34 46 A F + 0 0 26 -5,-0.1 2,-0.3 16,-0.1 16,-0.2 -0.429 50.0 177.3 -59.6 140.4 17.5 -2.6 27.6 35 47 A R B -C 49 0B 21 14,-1.7 14,-2.8 -2,-0.1 2,-0.6 -0.994 31.0-126.0-148.4 145.9 15.5 -4.6 30.2 36 48 A Q - 0 0 114 -2,-0.3 2,-0.2 12,-0.3 12,-0.2 -0.865 36.0-157.8 -92.6 122.1 12.7 -3.8 32.7 37 49 A M - 0 0 15 -2,-0.6 8,-2.9 10,-0.5 2,-0.4 -0.546 12.8-125.8-104.0 163.0 13.6 -4.7 36.2 38 50 A V B -I 44 0C 30 21,-0.5 6,-0.2 6,-0.2 -1,-0.0 -0.877 25.6-130.9-107.4 135.6 11.8 -5.6 39.4 39 51 A T > - 0 0 34 4,-2.6 3,-2.3 -2,-0.4 20,-0.1 -0.321 26.0-107.9 -82.0 167.4 12.6 -3.7 42.6 40 52 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 21,-0.1 0.768 122.6 62.8 -65.0 -21.5 13.2 -5.3 46.0 41 53 A G T 3 S- 0 0 74 2,-0.1 20,-0.1 19,-0.0 21,-0.0 0.561 123.3-108.4 -77.5 -8.1 9.8 -4.0 46.9 42 54 A G S < S+ 0 0 34 -3,-2.3 2,-0.5 1,-0.3 19,-0.1 0.606 72.0 141.8 90.1 15.1 8.4 -6.3 44.2 43 55 A Y - 0 0 109 18,-0.0 -4,-2.6 1,-0.0 2,-0.7 -0.777 46.4-140.7 -94.1 124.5 7.5 -3.5 41.8 44 56 A T B -I 38 0C 77 -2,-0.5 -6,-0.2 -6,-0.2 -7,-0.0 -0.751 24.6-130.8 -85.5 120.7 8.1 -4.1 38.0 45 57 A M - 0 0 15 -8,-2.9 71,-0.1 -2,-0.7 69,-0.0 -0.341 11.1-155.0 -70.1 144.2 9.5 -0.9 36.5 46 58 A S S S+ 0 0 38 69,-0.5 65,-0.4 67,-0.1 2,-0.3 0.707 77.9 83.4 -86.7 -23.3 7.9 0.5 33.3 47 59 A V S S- 0 0 0 68,-0.5 -10,-0.5 63,-0.1 2,-0.3 -0.611 76.9-142.0 -77.8 133.9 11.1 2.2 32.4 48 60 A A E - D 0 109B 3 61,-2.6 61,-3.1 -2,-0.3 2,-0.3 -0.792 24.8-166.4 -97.7 150.3 13.6 -0.1 30.6 49 61 A M E +CD 35 108B 5 -14,-2.8 -14,-1.7 -2,-0.3 2,-0.3 -0.906 23.9 164.4-138.0 155.7 17.3 0.3 31.5 50 62 A T E - D 0 107B 0 57,-1.8 57,-2.9 -2,-0.3 2,-0.3 -0.869 22.6-141.1-149.4-177.5 20.9 -0.6 30.6 51 63 A N E - D 0 106B 2 -2,-0.3 2,-0.3 55,-0.2 55,-0.2 -0.979 12.3-170.2-147.2 160.7 24.2 0.8 31.6 52 64 A C E + D 0 105B 0 53,-2.1 53,-2.1 -2,-0.3 3,-0.3 -0.934 50.7 51.9-145.2 165.9 27.7 1.8 30.5 53 65 A G S S- 0 0 9 25,-2.6 24,-0.2 -2,-0.3 51,-0.2 -0.487 105.9 -46.2 99.7-172.6 30.9 2.8 32.3 54 66 A H S S+ 0 0 146 49,-0.3 2,-0.4 -2,-0.2 50,-0.2 0.779 124.7 36.1 -66.4 -34.8 32.7 1.0 35.1 55 67 A L B -e 104 0B 30 48,-2.1 50,-0.6 -3,-0.3 2,-0.4 -0.984 64.2-167.0-128.2 140.0 29.5 0.4 37.2 56 68 A G E -J 67 0D 0 11,-2.4 11,-2.3 -2,-0.4 2,-0.4 -0.966 18.5-131.1-124.8 141.0 26.0 -0.4 36.2 57 69 A W E +J 66 0D 31 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.742 35.0 158.1 -91.4 133.2 22.9 -0.3 38.4 58 70 A T E -J 65 0D 7 7,-2.4 7,-2.5 -2,-0.4 2,-0.3 -0.968 14.7-168.9-146.7 165.2 20.5 -3.3 38.4 59 71 A T E +J 64 0D 9 -2,-0.3 -21,-0.5 5,-0.2 2,-0.3 -0.972 10.1 169.2-151.7 159.0 17.8 -4.7 40.7 60 72 A H E > -J 63 0D 107 3,-2.0 3,-1.6 -2,-0.3 -18,-0.1 -0.867 58.7 -69.8-154.8-175.0 15.6 -7.8 41.2 61 73 A R T 3 S+ 0 0 151 -2,-0.3 3,-0.1 1,-0.3 -22,-0.1 0.718 128.0 50.0 -60.2 -22.7 13.4 -9.0 44.0 62 74 A Q T 3 S- 0 0 172 1,-0.3 2,-0.3 -21,-0.0 -1,-0.3 0.499 123.3 -63.0 -95.1 -3.6 16.2 -9.7 46.4 63 75 A G E < -J 60 0D 20 -3,-1.6 -3,-2.0 2,-0.0 -1,-0.3 -0.889 45.8 -96.4 149.5 179.0 18.0 -6.4 46.1 64 76 A Y E +J 59 0D 99 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.786 34.2 168.8-125.8 171.3 19.8 -3.9 43.9 65 77 A L E -J 58 0D 82 -7,-2.5 -7,-2.4 -2,-0.3 2,-0.6 -0.972 36.7-115.4-176.7 161.7 23.4 -3.1 43.3 66 78 A Y E +J 57 0D 37 -2,-0.3 -9,-0.2 -9,-0.2 -2,-0.0 -0.943 45.3 167.7-104.4 124.7 26.1 -1.4 41.3 67 79 A S E -J 56 0D 25 -11,-2.3 -11,-2.4 -2,-0.6 10,-0.1 -0.967 46.2-134.2-140.3 150.7 28.3 -4.0 39.5 68 80 A P S S+ 0 0 76 0, 0.0 9,-1.6 0, 0.0 2,-0.4 0.683 93.3 68.7 -76.4 -13.4 30.9 -4.0 36.9 69 81 A I B S-K 76 0E 63 7,-0.2 -13,-0.1 -13,-0.1 -2,-0.1 -0.874 81.8-130.2-111.0 134.8 29.2 -7.0 35.3 70 82 A D > - 0 0 0 5,-2.8 4,-2.7 -2,-0.4 5,-0.5 -0.696 17.1-147.8 -76.8 118.6 25.8 -7.0 33.5 71 83 A P T 4 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -13,-0.0 0.718 94.0 56.1 -64.9 -18.3 23.8 -9.9 35.1 72 84 A Q T 4 S+ 0 0 113 1,-0.1 -40,-0.0 3,-0.1 -2,-0.0 0.859 122.5 23.1 -80.2 -35.4 22.0 -10.6 31.9 73 85 A T T 4 S- 0 0 40 -3,-0.4 -1,-0.1 2,-0.3 -41,-0.0 0.641 90.7-136.4-102.6 -15.9 25.1 -11.1 29.7 74 86 A N S < S+ 0 0 126 -4,-2.7 3,-0.1 1,-0.3 -5,-0.0 0.606 73.3 107.6 60.6 20.7 27.6 -12.0 32.4 75 87 A K S S- 0 0 142 -5,-0.5 -5,-2.8 1,-0.1 -1,-0.3 -0.784 83.0 -83.0-120.0 159.0 30.0 -9.6 30.6 76 88 A P B -K 69 0E 89 0, 0.0 -7,-0.2 0, 0.0 -1,-0.1 -0.221 51.9-100.2 -57.5 150.5 31.2 -6.2 31.6 77 89 A W - 0 0 10 -9,-1.6 -25,-0.2 -24,-0.2 -24,-0.1 -0.425 56.0 -85.8 -64.1 151.1 28.9 -3.3 30.9 78 90 A P - 0 0 7 0, 0.0 -25,-2.6 0, 0.0 -1,-0.1 -0.249 53.9 -94.4 -58.8 151.7 30.1 -1.5 27.7 79 91 A A - 0 0 82 -27,-0.2 3,-0.1 1,-0.1 -25,-0.0 -0.283 50.4 -86.1 -63.7 153.7 32.7 1.1 28.3 80 92 A M - 0 0 43 -28,-0.1 -1,-0.1 1,-0.1 5,-0.0 -0.445 50.5-119.3 -61.9 120.0 31.6 4.7 28.7 81 93 A P > - 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