==== 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 01-JUL-09 3I49 . 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) . 9571.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 67.0 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 30.5 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 . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 18 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 13.0 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+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 1 2 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 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 52 0, 0.0 2,-0.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -39.8 22.3 -9.6 2.2 2 16 A A B > -A 5 0A 35 3,-1.1 3,-2.6 0, 0.0 2,-0.3 -0.950 360.0 -48.3-178.0 171.9 25.8 -8.7 1.2 3 17 A A T 3 S+ 0 0 46 1,-0.3 165,-0.8 -2,-0.3 162,-0.2 -0.426 131.0 1.8 -60.1 117.2 29.1 -7.5 2.7 4 18 A G T 3 S+ 0 0 37 -2,-0.3 161,-0.6 1,-0.3 2,-0.3 0.498 117.2 101.6 82.6 4.2 28.1 -4.5 4.9 5 19 A A E < +AB 2 164A 11 -3,-2.6 -3,-1.1 159,-0.2 2,-0.3 -0.912 40.9 166.0-123.9 150.4 24.4 -5.0 4.1 6 20 A V E - B 0 163A 49 157,-2.5 157,-2.7 -2,-0.3 2,-0.6 -0.991 29.5-133.6-158.6 152.3 21.6 -6.5 6.0 7 21 A I E - B 0 162A 19 -2,-0.3 2,-1.2 155,-0.2 155,-0.2 -0.952 11.8-162.3-114.0 114.5 17.8 -6.6 6.0 8 22 A L E > - B 0 161A 30 153,-3.5 153,-1.9 -2,-0.6 3,-1.5 -0.766 23.0-147.9 -94.7 88.5 16.2 -6.1 9.4 9 23 A R T 3 S- 0 0 140 -2,-1.2 151,-0.2 1,-0.3 150,-0.1 -0.381 73.5 -4.9 -65.7 131.2 12.8 -7.6 8.6 10 24 A R T > S+ 0 0 105 147,-0.3 3,-2.0 -2,-0.1 4,-0.3 0.526 89.7 137.3 65.3 8.4 9.8 -6.0 10.4 11 25 A F T < S+ 0 0 54 -3,-1.5 3,-0.3 1,-0.3 149,-0.2 0.840 72.5 42.1 -52.0 -40.0 12.3 -3.8 12.4 12 26 A A T 3> S+ 0 0 0 147,-3.1 4,-1.3 -4,-0.3 3,-0.5 0.232 80.8 110.5 -95.1 14.4 10.2 -0.7 12.1 13 27 A F T X4 S+ 0 0 122 -3,-2.0 3,-0.6 146,-0.3 4,-0.5 0.922 78.3 47.9 -53.8 -50.7 6.8 -2.4 12.7 14 28 A N T 34 S+ 0 0 159 -4,-0.3 -1,-0.2 -3,-0.3 4,-0.2 0.772 118.1 41.2 -64.2 -27.3 6.3 -0.7 16.1 15 29 A A T 3> S+ 0 0 28 -3,-0.5 4,-2.7 1,-0.1 3,-0.4 0.538 88.2 97.0 -98.2 -6.8 7.1 2.7 14.8 16 30 A A H S+ 0 0 116 -4,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.896 115.1 44.0 -63.5 -38.1 2.1 4.2 12.4 18 32 A Q H > S+ 0 0 78 -3,-0.4 4,-2.4 -4,-0.2 -2,-0.2 0.907 111.5 54.2 -70.8 -42.2 3.9 7.2 13.9 19 33 A L H X S+ 0 0 0 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.911 109.5 48.1 -57.2 -43.7 6.3 7.3 10.9 20 34 A I H X S+ 0 0 14 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.872 108.2 54.1 -66.9 -37.5 3.4 7.5 8.5 21 35 A R H X S+ 0 0 130 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.920 111.1 46.6 -62.3 -41.1 1.7 10.2 10.6 22 36 A D H X S+ 0 0 31 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.758 105.2 59.2 -73.4 -24.0 5.0 12.2 10.3 23 37 A I H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 -1,-0.2 0.936 107.5 47.9 -67.0 -43.5 5.2 11.5 6.6 24 38 A N H X S+ 0 0 90 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.885 111.6 50.2 -62.7 -38.3 1.8 13.2 6.2 25 39 A D H >X S+ 0 0 86 -4,-1.6 4,-0.6 2,-0.2 3,-0.5 0.932 111.5 47.4 -66.2 -45.9 3.0 16.1 8.3 26 40 A V H >X S+ 0 0 1 -4,-2.7 4,-2.7 1,-0.2 3,-1.6 0.934 110.1 53.3 -59.7 -46.0 6.2 16.6 6.3 27 41 A A H 3< S+ 0 0 18 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.720 96.5 67.3 -62.9 -22.3 4.2 16.4 3.1 28 42 A S H << S+ 0 0 85 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.765 113.8 30.3 -70.5 -22.9 1.9 19.2 4.3 29 43 A Q H << S+ 0 0 88 -3,-1.6 -2,-0.2 -4,-0.6 -1,-0.1 0.827 136.3 25.6 -98.8 -48.2 4.9 21.5 4.1 30 44 A S S < S- 0 0 1 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.1 -0.859 90.8-145.6-120.3 92.0 6.8 20.0 1.2 31 45 A P - 0 0 52 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.091 24.2 -96.4 -56.5 152.1 4.3 18.1 -0.9 32 46 A F + 0 0 29 -5,-0.1 2,-0.3 16,-0.1 16,-0.2 -0.478 51.7 175.8 -66.6 141.1 5.1 14.9 -2.7 33 47 A R B -C 47 0A 25 14,-2.1 14,-3.1 -2,-0.1 2,-0.9 -0.991 36.2-117.1-148.7 148.2 6.0 15.6 -6.3 34 48 A Q - 0 0 102 -2,-0.3 12,-0.2 12,-0.3 10,-0.1 -0.803 39.5-142.7 -89.7 108.9 7.2 13.5 -9.2 35 49 A M - 0 0 13 -2,-0.9 8,-2.9 10,-0.4 2,-0.5 -0.253 5.9-124.4 -70.7 158.4 10.6 14.9 -10.1 36 50 A V B -I 42 0B 67 6,-0.2 6,-0.2 21,-0.1 -1,-0.1 -0.917 25.0-126.8-107.7 124.8 12.0 15.2 -13.6 37 51 A T > - 0 0 31 4,-2.9 3,-3.2 -2,-0.5 4,-0.2 -0.238 30.6-101.3 -68.3 158.0 15.3 13.5 -14.3 38 52 A P T 3 S+ 0 0 27 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.780 125.3 59.6 -48.3 -26.8 18.3 15.5 -15.9 39 53 A G T 3 S- 0 0 62 2,-0.1 20,-0.1 21,-0.0 -2,-0.1 0.625 124.1-101.8 -79.2 -14.9 17.2 13.8 -19.1 40 54 A G S < S+ 0 0 52 -3,-3.2 2,-0.4 1,-0.3 19,-0.0 0.587 75.6 133.1 105.0 14.9 13.7 15.3 -19.0 41 55 A Y - 0 0 171 -4,-0.2 -4,-2.9 1,-0.0 2,-0.5 -0.828 53.8-127.7-106.2 136.4 11.6 12.3 -17.8 42 56 A T B -I 36 0B 93 -2,-0.4 -6,-0.2 -6,-0.2 -7,-0.1 -0.665 28.6-128.9 -80.8 123.1 9.0 12.4 -15.0 43 57 A M - 0 0 28 -8,-2.9 71,-0.1 -2,-0.5 -1,-0.1 -0.370 1.3-140.2 -70.1 147.8 9.6 9.7 -12.4 44 58 A S S S+ 0 0 54 69,-0.4 65,-0.3 67,-0.1 2,-0.3 0.809 86.4 79.2 -77.2 -30.4 6.8 7.4 -11.5 45 59 A V S S- 0 0 0 68,-0.5 -10,-0.4 63,-0.1 2,-0.4 -0.615 78.6-141.5 -78.3 135.3 7.8 7.6 -7.8 46 60 A A E - D 0 107A 3 61,-2.2 61,-2.9 -2,-0.3 2,-0.3 -0.803 27.0-172.0 -96.6 140.5 6.7 10.7 -6.1 47 61 A M E +CD 33 106A 4 -14,-3.1 -14,-2.1 -2,-0.4 2,-0.3 -0.848 23.5 164.8-134.2 167.0 9.1 12.2 -3.6 48 62 A T E - D 0 105A 0 57,-1.3 57,-3.0 -2,-0.3 2,-0.3 -0.916 22.7-138.1-162.8 173.4 9.8 14.8 -0.9 49 63 A N E - D 0 104A 1 -2,-0.3 2,-0.3 55,-0.2 55,-0.2 -0.938 11.6-170.5-141.1 162.4 12.5 15.3 1.7 50 64 A C E + D 0 103A 0 53,-1.8 53,-2.0 -2,-0.3 27,-0.2 -0.956 51.6 54.4-147.0 160.1 13.0 16.3 5.3 51 65 A G S S- 0 0 9 25,-2.8 24,-0.2 -2,-0.3 51,-0.2 -0.531 105.9 -52.4 104.2-176.5 16.1 17.1 7.3 52 66 A H S S+ 0 0 126 49,-0.3 2,-0.4 -2,-0.2 23,-0.3 0.887 123.3 37.5 -66.1 -40.6 18.8 19.6 6.4 53 67 A L B -e 102 0A 22 48,-2.5 50,-0.5 -3,-0.2 2,-0.4 -0.907 66.3-161.8-118.7 143.3 19.4 18.4 2.8 54 68 A G E -J 65 0C 0 11,-2.0 11,-2.0 -2,-0.4 2,-0.3 -0.964 23.4-119.9-124.6 139.5 17.0 17.0 0.2 55 69 A W E +J 64 0C 22 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.576 44.9 164.5 -75.6 133.8 17.8 15.0 -2.8 56 70 A T E -J 63 0C 8 7,-2.1 7,-2.1 -2,-0.3 2,-0.3 -0.907 33.2-120.0-144.4 170.5 16.7 16.7 -6.0 57 71 A T E -J 62 0C 30 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.850 22.8-162.4-113.7 152.2 17.1 16.7 -9.8 58 72 A H E > -J 61 0C 115 3,-1.7 3,-1.0 -2,-0.3 -2,-0.0 -0.872 43.2 -91.8-129.7 162.4 18.4 19.5 -11.9 59 73 A R T 3 S+ 0 0 202 -2,-0.3 2,-0.1 1,-0.3 3,-0.1 0.773 125.9 16.3 -43.9 -28.8 18.2 20.2 -15.6 60 74 A Q T 3 S- 0 0 159 1,-0.3 -1,-0.3 -21,-0.0 2,-0.1 -0.539 127.2 -1.9-150.1 78.8 21.5 18.3 -15.8 61 75 A G E < S-J 58 0C 29 -3,-1.0 -3,-1.7 -2,-0.1 -1,-0.3 -0.297 70.7 -88.5 122.4 153.5 22.4 16.2 -12.8 62 76 A Y E +J 57 0C 100 -5,-0.2 2,-0.3 -2,-0.1 -5,-0.2 -0.634 48.7 158.1 -93.0 154.4 21.2 15.2 -9.3 63 77 A L E -J 56 0C 57 -7,-2.1 -7,-2.1 -2,-0.2 2,-0.3 -0.981 37.7-107.7-169.5 160.6 22.2 17.1 -6.2 64 78 A Y E +J 55 0C 37 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.0 -0.751 33.5 178.8 -97.8 145.4 21.3 17.9 -2.6 65 79 A S E -J 54 0C 32 -11,-2.0 -11,-2.0 -2,-0.3 10,-0.1 -0.999 35.2-141.4-146.1 143.9 19.8 21.3 -1.6 66 80 A P S S+ 0 0 58 0, 0.0 9,-1.2 0, 0.0 2,-0.4 0.578 89.5 73.4 -78.9 -6.8 18.6 22.7 1.7 67 81 A I B S-K 74 0D 63 7,-0.2 -13,-0.1 -13,-0.1 -15,-0.0 -0.914 83.4-127.4-114.7 134.3 15.8 24.4 -0.2 68 82 A D > - 0 0 0 5,-3.1 4,-2.6 -2,-0.4 5,-0.4 -0.652 18.2-150.2 -74.0 116.5 12.7 22.7 -1.7 69 83 A P T 4 S+ 0 0 77 0, 0.0 -1,-0.2 0, 0.0 -13,-0.0 0.653 92.4 49.8 -65.9 -14.6 12.7 23.8 -5.4 70 84 A Q T 4 S+ 0 0 105 3,-0.1 -40,-0.0 -39,-0.1 -2,-0.0 0.900 124.4 24.2 -89.3 -48.8 8.9 23.6 -5.6 71 85 A T T 4 S- 0 0 40 2,-0.2 -1,-0.1 -40,-0.1 -41,-0.0 0.689 94.0-138.8 -87.5 -20.0 8.0 25.6 -2.5 72 86 A N < + 0 0 123 -4,-2.6 3,-0.1 1,-0.3 -5,-0.0 0.713 69.2 109.7 65.3 23.2 11.3 27.5 -2.5 73 87 A K S S- 0 0 119 -5,-0.4 -5,-3.1 1,-0.1 -1,-0.3 -0.779 82.6 -81.7-119.7 163.2 11.3 27.1 1.3 74 88 A P B -K 67 0D 89 0, 0.0 -7,-0.2 0, 0.0 -1,-0.1 -0.265 54.5 -99.4 -62.4 155.8 13.6 24.9 3.4 75 89 A W - 0 0 13 -9,-1.2 -25,-0.2 -23,-0.3 3,-0.1 -0.411 51.3 -87.6 -71.4 156.4 12.6 21.3 3.6 76 90 A P - 0 0 5 0, 0.0 -25,-2.8 0, 0.0 -1,-0.1 -0.204 52.5 -93.3 -61.1 157.5 10.8 20.3 6.8 77 91 A A - 0 0 83 -27,-0.2 -25,-0.0 1,-0.1 -51,-0.0 -0.327 49.1 -88.5 -69.8 156.4 12.9 19.3 9.8 78 92 A M - 0 0 40 -28,-0.2 -1,-0.1 -3,-0.1 5,-0.0 -0.507 49.1-120.1 -65.9 120.2 13.7 15.7 10.4 79 93 A P > - 0 0 16 0, 0.0 4,-2.3 0, 0.0 5,-0.2 -0.264 13.9-123.0 -61.5 152.5 10.9 14.2 12.6 80 94 A Q H > S+ 0 0 153 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.895 113.0 55.2 -62.3 -40.3 11.9 12.8 15.9 81 95 A S H > S+ 0 0 18 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.897 109.3 48.3 -59.7 -40.5 10.3 9.4 15.0 82 96 A F H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.941 112.1 47.9 -63.3 -51.5 12.5 9.3 11.9 83 97 A H H X S+ 0 0 71 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.927 114.4 45.7 -57.2 -48.9 15.7 10.2 13.7 84 98 A N H X S+ 0 0 72 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.913 114.4 46.1 -63.9 -46.4 15.1 7.7 16.5 85 99 A L H X S+ 0 0 6 -4,-2.2 4,-2.7 -5,-0.2 5,-0.2 0.945 112.5 51.1 -63.0 -47.5 14.2 4.8 14.2 86 100 A C H X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.2 5,-0.2 0.930 110.1 49.6 -55.6 -47.6 17.1 5.5 11.8 87 101 A Q H X S+ 0 0 87 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.921 112.0 47.2 -58.4 -47.3 19.6 5.5 14.7 88 102 A R H X S+ 0 0 140 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.925 114.0 47.6 -61.7 -45.3 18.4 2.2 16.1 89 103 A A H X S+ 0 0 0 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.931 111.4 50.4 -61.7 -46.9 18.4 0.6 12.7 90 104 A A H <>S+ 0 0 1 -4,-2.9 5,-2.8 -5,-0.2 4,-0.5 0.929 111.7 48.3 -57.5 -46.8 21.9 1.9 11.9 91 105 A T H ><5S+ 0 0 71 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.924 110.7 50.3 -60.1 -46.3 23.2 0.6 15.3 92 106 A A H 3<5S+ 0 0 59 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.780 109.6 53.1 -63.4 -27.0 21.6 -2.8 14.8 93 107 A A T 3<5S- 0 0 20 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.474 127.2 -95.3 -88.3 -3.9 23.2 -3.0 11.3 94 108 A G T < 5S+ 0 0 56 -3,-1.4 -3,-0.2 -4,-0.5 -2,-0.1 0.684 97.2 106.0 98.6 20.2 26.7 -2.3 12.5 95 109 A Y > < + 0 0 39 -5,-2.8 3,-1.1 -6,-0.2 -3,-0.1 -0.648 34.1 164.0-131.6 74.3 26.9 1.5 12.0 96 110 A P T 3 S+ 0 0 96 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 0.671 72.7 49.6 -65.7 -23.0 26.6 3.0 15.5 97 111 A D T 3 S+ 0 0 136 -7,-0.1 2,-0.3 -6,-0.1 -10,-0.0 0.243 73.9 139.1-105.0 15.6 27.8 6.5 14.7 98 112 A F < - 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