==== 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 3O1V . 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) . 9979.0 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 . 3 1.5 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 . 12 5.9 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 . 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 2 1 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 14 A P 0 0 154 0, 0.0 6,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 103.6 15.4 10.3 19.4 2 15 A L - 0 0 12 4,-0.5 2,-0.3 1,-0.2 5,-0.2 0.913 360.0 -46.2 -50.0 -47.0 13.4 7.0 19.5 3 16 A A B > S-A 6 0A 29 3,-1.1 3,-2.1 142,-0.0 2,-0.3 -0.955 86.0 -49.8-168.1-180.0 12.6 7.4 15.7 4 17 A A T 3 S+ 0 0 49 -2,-0.3 165,-0.6 1,-0.3 162,-0.3 -0.498 132.3 6.2 -63.3 122.1 11.4 10.1 13.3 5 18 A G T 3 S+ 0 0 33 -2,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.480 114.5 103.6 87.0 3.2 8.3 11.5 15.1 6 19 A A B < +A 3 0A 5 -3,-2.1 -3,-1.1 159,-0.2 -4,-0.5 -0.925 41.4 174.9-131.7 140.6 8.8 9.5 18.3 7 20 A V E -B 164 0B 48 157,-2.5 157,-2.4 -2,-0.4 2,-0.5 -0.995 23.3-144.5-138.8 147.3 10.2 10.2 21.8 8 21 A I E -B 163 0B 26 -2,-0.3 2,-0.7 155,-0.2 155,-0.2 -0.971 12.8-164.3-106.0 135.5 10.6 8.6 25.1 9 22 A L E > -B 162 0B 28 153,-3.7 3,-1.7 -2,-0.5 153,-1.7 -0.843 20.2-143.3-116.9 88.3 10.1 10.9 28.1 10 23 A R T 3 S- 0 0 150 -2,-0.7 151,-0.1 1,-0.3 150,-0.1 -0.330 74.8 -8.3 -65.9 135.5 11.6 9.0 31.0 11 24 A R T > S+ 0 0 104 147,-0.2 3,-1.6 1,-0.1 4,-0.4 0.606 87.9 140.5 57.3 16.4 9.9 9.3 34.4 12 25 A F T < S+ 0 0 59 -3,-1.7 3,-0.3 1,-0.3 149,-0.2 0.884 75.9 35.2 -54.8 -42.1 7.7 12.1 32.9 13 26 A A T 3> S+ 0 0 0 147,-3.0 4,-1.2 -4,-0.3 3,-0.3 0.217 85.5 108.8 -94.6 11.0 4.5 10.8 34.8 14 27 A F T X4 S+ 0 0 103 -3,-1.6 3,-0.7 146,-0.4 4,-0.4 0.936 81.5 44.8 -62.1 -44.6 6.4 9.7 37.9 15 28 A N T 34 S+ 0 0 153 -4,-0.4 3,-0.3 -3,-0.3 4,-0.3 0.783 117.1 45.8 -68.9 -24.8 4.9 12.6 40.1 16 29 A A T 3> S+ 0 0 30 -3,-0.3 4,-2.5 1,-0.2 3,-0.3 0.568 87.3 94.6 -90.4 -9.3 1.4 12.1 38.7 17 30 A A H S+ 0 0 116 -4,-0.4 4,-2.1 -3,-0.3 -1,-0.2 0.960 113.6 41.3 -61.7 -45.4 -0.3 8.0 42.5 19 32 A Q H > S+ 0 0 78 -3,-0.3 4,-2.4 -4,-0.3 5,-0.2 0.907 112.7 55.8 -67.5 -39.5 -3.3 10.0 41.3 20 33 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.900 107.4 49.4 -58.9 -42.4 -3.3 8.1 38.0 21 34 A I H X S+ 0 0 16 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.915 108.0 52.2 -69.4 -40.1 -3.4 4.8 39.8 22 35 A R H X S+ 0 0 120 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.911 112.0 48.0 -54.4 -45.6 -6.4 5.9 42.0 23 36 A D H X S+ 0 0 30 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.875 105.8 55.7 -69.8 -32.9 -8.2 6.9 38.9 24 37 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.920 107.8 51.2 -60.1 -39.2 -7.5 3.6 37.1 25 38 A N H X S+ 0 0 88 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.899 110.8 48.4 -63.1 -39.2 -9.1 1.9 40.1 26 39 A D H X S+ 0 0 90 -4,-1.7 4,-0.7 2,-0.2 3,-0.5 0.944 110.7 49.3 -68.2 -49.1 -12.1 4.1 39.7 27 40 A V H >X S+ 0 0 2 -4,-2.9 4,-2.5 1,-0.2 3,-1.6 0.965 112.7 49.2 -50.2 -51.4 -12.4 3.5 36.0 28 41 A A H 3< S+ 0 0 18 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.721 97.5 66.5 -65.5 -23.7 -12.2 -0.3 36.6 29 42 A S H 3< S+ 0 0 88 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.733 114.7 32.3 -74.1 -16.3 -14.9 -0.3 39.3 30 43 A Q H << S+ 0 0 99 -3,-1.6 -2,-0.2 -4,-0.7 -1,-0.1 0.811 134.9 24.3 -99.4 -52.1 -17.4 0.7 36.5 31 44 A S S < S- 0 0 2 -4,-2.5 -1,-0.2 19,-0.1 19,-0.1 -0.879 93.2-147.0-114.5 94.9 -15.9 -1.1 33.4 32 45 A P - 0 0 55 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.107 23.6 -92.7 -59.4 158.9 -13.9 -4.0 35.0 33 46 A F + 0 0 27 -5,-0.1 2,-0.3 16,-0.1 16,-0.2 -0.461 51.3 175.5 -61.2 141.4 -10.7 -5.3 33.4 34 47 A R B -C 48 0B 27 14,-2.3 14,-2.9 -2,-0.1 2,-0.6 -0.991 35.2-120.7-147.0 148.8 -11.3 -8.3 31.1 35 48 A Q - 0 0 105 -2,-0.3 12,-0.2 12,-0.3 2,-0.1 -0.827 39.4-141.0 -88.6 118.7 -9.1 -10.4 28.8 36 49 A M - 0 0 12 -2,-0.6 8,-2.7 10,-0.5 2,-0.5 -0.441 5.4-123.6 -87.2 158.5 -10.6 -9.9 25.4 37 50 A V B -I 43 0C 68 6,-0.2 6,-0.2 21,-0.1 -1,-0.1 -0.846 23.0-127.6-103.7 127.7 -10.9 -12.6 22.8 38 51 A T > - 0 0 35 4,-2.9 3,-1.6 -2,-0.5 20,-0.0 -0.202 28.6-105.2 -67.3 165.9 -9.4 -12.1 19.3 39 52 A P T 3 S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.900 123.6 56.1 -54.6 -40.7 -11.5 -12.6 16.2 40 53 A G T 3 S- 0 0 70 2,-0.1 -2,-0.1 1,-0.1 20,-0.1 0.484 124.9-102.2 -75.7 -4.3 -9.7 -15.9 15.7 41 54 A G S < S+ 0 0 49 -3,-1.6 2,-0.3 1,-0.3 -1,-0.1 0.464 74.8 131.0 105.2 5.0 -10.7 -17.1 19.1 42 55 A Y - 0 0 184 1,-0.0 -4,-2.9 -5,-0.0 2,-0.5 -0.714 54.4-126.2 -93.5 135.1 -7.7 -16.7 21.4 43 56 A T B -I 37 0C 92 -2,-0.3 -6,-0.2 -6,-0.2 -7,-0.1 -0.706 28.4-122.8 -82.1 120.7 -7.9 -15.0 24.8 44 57 A M - 0 0 34 -8,-2.7 71,-0.1 -2,-0.5 -1,-0.1 -0.344 6.1-139.8 -61.3 147.2 -5.4 -12.2 25.2 45 58 A S S S+ 0 0 44 69,-0.3 65,-0.3 67,-0.1 2,-0.2 0.783 85.2 78.1 -83.3 -24.7 -2.9 -12.4 28.1 46 59 A V S S- 0 0 0 68,-0.4 -10,-0.5 63,-0.1 2,-0.4 -0.602 78.7-139.0 -83.5 137.4 -3.3 -8.7 28.8 47 60 A A E - D 0 108B 6 61,-2.5 61,-2.6 -2,-0.2 2,-0.3 -0.815 29.2-170.2 -93.3 147.7 -6.4 -7.6 30.7 48 61 A M E +CD 34 107B 6 -14,-2.9 -14,-2.3 -2,-0.4 2,-0.3 -0.894 24.6 163.1-139.2 158.5 -8.1 -4.4 29.4 49 62 A T E - D 0 106B 0 57,-1.6 57,-3.1 -2,-0.3 2,-0.3 -0.906 22.3-140.0-157.0-179.2 -10.6 -1.7 29.9 50 63 A N E - D 0 105B 1 -2,-0.3 2,-0.3 55,-0.2 55,-0.2 -0.966 9.3-166.7-142.6 155.9 -11.2 1.8 28.4 51 64 A C E + D 0 104B 0 53,-2.0 53,-2.1 -2,-0.3 3,-0.2 -0.884 50.5 53.7-135.3 171.5 -12.3 5.3 29.5 52 65 A G E S- D 0 103B 6 25,-2.4 24,-0.2 -2,-0.3 51,-0.2 -0.480 103.6 -53.1 99.1-168.5 -13.3 8.3 27.4 53 66 A H S S+ 0 0 158 49,-0.8 2,-0.3 -2,-0.2 50,-0.2 0.759 123.8 36.3 -82.2 -27.8 -15.9 8.7 24.7 54 67 A L B -e 103 0B 34 48,-1.8 50,-0.5 -3,-0.2 2,-0.4 -0.957 68.3-162.4-127.0 143.2 -14.6 5.7 22.5 55 68 A G E -J 66 0D 0 11,-2.0 11,-2.5 -2,-0.3 2,-0.2 -0.995 21.2-121.4-127.7 133.0 -13.1 2.4 23.7 56 69 A W E +J 65 0D 22 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.511 43.1 162.4 -73.1 138.3 -11.0 -0.1 21.8 57 70 A T E -J 64 0D 8 7,-2.3 7,-2.9 -2,-0.2 2,-0.3 -0.978 35.5-120.8-155.2 151.5 -12.5 -3.6 21.6 58 71 A T E -J 63 0D 21 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.713 27.9-176.6 -94.6 158.5 -12.4 -6.9 19.7 59 72 A H - 0 0 101 3,-2.4 3,-0.5 -2,-0.3 5,-0.0 -0.804 44.7-104.3-140.6 169.5 -15.4 -8.3 18.0 60 73 A R S S+ 0 0 219 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.892 125.0 51.1 -63.1 -37.7 -16.0 -11.6 16.1 61 74 A Q S S- 0 0 153 1,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.497 125.7 -80.1 -80.1 -4.5 -15.8 -9.4 13.0 62 75 A G - 0 0 20 -3,-0.5 -3,-2.4 2,-0.0 2,-0.3 -0.989 68.0 -34.3 141.9-157.7 -12.5 -7.6 13.8 63 76 A Y E +J 58 0D 123 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.773 60.4 164.5-102.7 151.8 -11.3 -4.7 16.0 64 77 A L E -J 57 0D 54 -7,-2.9 -7,-2.3 -2,-0.3 2,-0.5 -0.999 37.8-119.6-162.4 163.5 -13.3 -1.6 16.6 65 78 A Y E -J 56 0D 33 -2,-0.3 -9,-0.2 -9,-0.2 3,-0.0 -0.910 36.4-178.8-102.6 132.6 -13.9 1.5 18.6 66 79 A S E -J 55 0D 28 -11,-2.5 -11,-2.0 -2,-0.5 10,-0.1 -0.979 35.9-145.2-133.6 147.0 -17.2 1.7 20.5 67 80 A P S S+ 0 0 75 0, 0.0 9,-1.1 0, 0.0 2,-0.4 0.610 89.2 69.2 -78.0 -12.5 -18.9 4.3 22.7 68 81 A I B S-K 75 0E 63 7,-0.2 -13,-0.1 -13,-0.1 -2,-0.0 -0.888 82.7-128.5-111.7 132.3 -20.4 1.3 24.7 69 82 A D > - 0 0 0 5,-3.0 4,-2.9 -2,-0.4 5,-0.5 -0.663 21.2-152.6 -71.2 114.9 -18.7 -1.2 26.9 70 83 A P T 4 S+ 0 0 70 0, 0.0 -1,-0.2 0, 0.0 -13,-0.0 0.663 90.7 53.8 -72.1 -10.0 -20.0 -4.5 25.4 71 84 A Q T 4 S+ 0 0 105 3,-0.1 -2,-0.0 1,-0.1 -40,-0.0 0.842 123.9 23.2 -85.0 -37.6 -19.6 -6.3 28.7 72 85 A T T 4 S- 0 0 37 -3,-0.3 -1,-0.1 2,-0.2 -41,-0.0 0.604 93.8-135.3 -97.5 -21.1 -21.7 -3.9 30.8 73 86 A N S < S+ 0 0 125 -4,-2.9 3,-0.1 1,-0.3 -5,-0.0 0.659 71.1 108.9 63.6 20.3 -23.8 -2.4 27.9 74 87 A K S S- 0 0 129 -5,-0.5 -5,-3.0 1,-0.1 -1,-0.3 -0.814 82.6 -82.4-118.6 159.5 -23.1 1.1 29.4 75 88 A P B -K 68 0E 96 0, 0.0 -7,-0.2 0, 0.0 -1,-0.1 -0.188 54.8-101.8 -53.4 147.7 -20.9 4.0 28.2 76 89 A W - 0 0 9 -9,-1.1 -25,-0.2 -24,-0.2 3,-0.1 -0.455 54.5 -82.5 -61.2 155.1 -17.2 3.6 29.2 77 90 A P - 0 0 8 0, 0.0 -25,-2.4 0, 0.0 -1,-0.1 -0.269 54.9 -94.6 -55.7 146.2 -16.3 5.8 32.2 78 91 A A - 0 0 84 -27,-0.2 3,-0.0 1,-0.1 -25,-0.0 -0.215 48.8 -95.3 -56.0 147.9 -15.5 9.5 31.4 79 92 A M - 0 0 35 -28,-0.2 -1,-0.1 -3,-0.1 5,-0.0 -0.646 46.1-116.9 -70.5 124.1 -11.8 10.1 30.9 80 93 A P > - 0 0 20 0, 0.0 4,-2.3 0, 0.0 3,-0.3 -0.286 12.7-125.6 -57.5 144.2 -10.4 11.4 34.3 81 94 A Q H > S+ 0 0 142 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.885 111.4 60.7 -60.9 -34.8 -9.0 14.9 34.3 82 95 A S H > S+ 0 0 16 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.896 108.6 44.3 -59.0 -39.8 -5.8 13.5 35.8 83 96 A F H > S+ 0 0 0 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.884 114.3 47.6 -68.0 -47.2 -5.4 11.4 32.6 84 97 A H H X S+ 0 0 72 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.898 112.2 49.9 -69.0 -36.1 -6.3 14.1 30.2 85 98 A N H X S+ 0 0 69 -4,-3.0 4,-2.4 -5,-0.2 -2,-0.2 0.938 112.5 45.4 -66.2 -42.4 -4.0 16.6 31.9 86 99 A L H X S+ 0 0 5 -4,-1.7 4,-2.5 -5,-0.3 5,-0.2 0.911 112.6 52.1 -67.1 -40.2 -0.9 14.4 31.9 87 100 A C H X S+ 0 0 1 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.925 109.2 49.5 -60.3 -48.2 -1.6 13.3 28.3 88 101 A Q H X S+ 0 0 79 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.920 113.3 46.3 -59.6 -45.8 -1.8 17.0 27.1 89 102 A R H X S+ 0 0 110 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.904 114.1 47.3 -65.8 -37.6 1.5 17.9 28.9 90 103 A A H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.940 112.4 50.0 -69.8 -42.8 3.3 14.8 27.5 91 104 A A H <>S+ 0 0 1 -4,-2.9 5,-3.0 -5,-0.2 4,-0.3 0.906 110.9 49.3 -54.9 -47.2 2.1 15.4 24.0 92 105 A T H ><5S+ 0 0 64 -4,-2.0 3,-1.4 1,-0.2 -1,-0.2 0.920 110.3 50.5 -62.1 -44.7 3.2 19.0 24.2 93 106 A A H 3<5S+ 0 0 59 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.772 109.4 51.7 -65.9 -27.6 6.7 18.0 25.4 94 107 A A T 3<5S- 0 0 14 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.396 128.0 -95.6 -91.3 -3.6 7.0 15.5 22.6 95 108 A G T < 5S+ 0 0 52 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.639 95.2 109.4 104.8 21.8 6.1 18.1 19.9 96 109 A Y > < + 0 0 43 -5,-3.0 3,-1.3 -6,-0.2 -3,-0.1 -0.526 30.8 163.5-128.1 67.1 2.4 17.5 19.5 97 110 A P T 3 S+ 0 0 80 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 0.596 71.7 52.2 -64.0 -16.1 0.8 20.6 21.0 98 111 A D T 3 S+ 0 0 135 -7,-0.1 -10,-0.0 -3,-0.1 30,-0.0 0.429 71.4 132.9-102.4 1.5 -2.7 20.0 19.4 99 112 A F < - 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