==== 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 3O1S . 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) . 9903.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 124 61.4 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 . 13 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 7.9 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 . 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 0 214 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -7.4 19.7 7.3 19.8 2 14 A P - 0 0 77 0, 0.0 6,-0.1 0, 0.0 3,-0.1 -0.567 360.0-110.9 -74.9 154.5 16.1 8.5 19.4 3 15 A L S S- 0 0 10 4,-0.3 2,-0.3 -2,-0.2 5,-0.2 0.902 77.5 -50.2 -51.4 -51.5 13.6 5.5 19.2 4 16 A A B > S-A 7 0A 27 3,-1.2 3,-2.3 -3,-0.0 2,-0.4 -0.963 79.4 -50.9-171.1 172.5 12.7 6.1 15.6 5 17 A A T 3 S+ 0 0 50 -2,-0.3 165,-0.6 1,-0.3 162,-0.3 -0.486 132.0 1.7 -58.9 115.6 11.6 8.8 13.2 6 18 A G T 3 S+ 0 0 37 -2,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.473 115.7 104.2 82.7 3.4 8.6 10.3 15.0 7 19 A A B < +A 4 0A 6 -3,-2.3 -3,-1.2 159,-0.2 2,-0.3 -0.917 41.5 170.0-121.4 144.8 9.0 8.0 18.0 8 20 A V E -B 165 0B 42 157,-2.6 157,-2.7 -2,-0.4 2,-0.5 -0.994 26.4-138.7-148.4 149.5 10.4 8.8 21.4 9 21 A I E -B 164 0B 26 -2,-0.3 2,-0.8 155,-0.2 155,-0.2 -0.977 10.5-162.2-108.9 130.4 10.7 7.2 24.9 10 22 A L E > -B 163 0B 27 153,-3.7 153,-1.9 -2,-0.5 3,-1.7 -0.871 21.5-144.2-108.0 92.2 10.1 9.5 27.9 11 23 A R T 3 S- 0 0 145 -2,-0.8 151,-0.2 1,-0.3 150,-0.1 -0.415 75.6 -8.0 -69.7 130.4 11.7 7.6 30.7 12 24 A R T > S+ 0 0 104 147,-0.3 3,-1.6 -2,-0.1 4,-0.4 0.621 87.9 140.9 63.9 16.0 9.9 7.9 34.0 13 25 A F T < S+ 0 0 56 -3,-1.7 3,-0.3 1,-0.3 149,-0.2 0.874 75.9 37.2 -54.0 -39.6 7.7 10.6 32.6 14 26 A A T 3> S+ 0 0 0 147,-3.3 4,-1.0 -4,-0.3 -1,-0.3 0.232 85.5 106.9 -99.2 10.9 4.6 9.3 34.4 15 27 A F T X4 S+ 0 0 105 -3,-1.6 3,-0.7 146,-0.4 4,-0.4 0.931 82.2 44.8 -57.1 -46.3 6.5 8.3 37.6 16 28 A N T 34 S+ 0 0 159 -4,-0.4 3,-0.3 -3,-0.3 4,-0.2 0.858 117.6 44.6 -68.1 -32.3 5.0 11.2 39.7 17 29 A A T 3> S+ 0 0 27 -4,-0.2 4,-2.2 1,-0.2 3,-0.3 0.503 87.3 98.2 -87.3 -7.5 1.5 10.6 38.3 18 30 A A H S+ 0 0 117 -4,-0.4 4,-2.0 -3,-0.3 -1,-0.2 0.915 113.8 43.6 -60.5 -42.5 -0.2 6.5 42.1 20 32 A Q H > S+ 0 0 74 -3,-0.3 4,-2.1 -4,-0.2 -1,-0.2 0.873 111.5 55.6 -68.0 -35.2 -3.2 8.5 40.9 21 33 A L H X S+ 0 0 1 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.894 108.7 47.4 -63.1 -37.6 -3.1 6.6 37.5 22 34 A I H X S+ 0 0 15 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.880 107.8 54.5 -75.9 -36.8 -3.4 3.3 39.3 23 35 A R H X S+ 0 0 136 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.912 112.0 46.3 -58.5 -39.1 -6.3 4.6 41.6 24 36 A D H X S+ 0 0 30 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.830 106.1 56.9 -78.7 -29.0 -8.1 5.5 38.4 25 37 A I H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.938 108.1 49.7 -60.5 -42.4 -7.3 2.2 36.6 26 38 A N H X S+ 0 0 86 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.898 110.8 49.5 -66.1 -36.9 -9.0 0.5 39.6 27 39 A D H X S+ 0 0 87 -4,-1.6 4,-0.6 2,-0.2 -1,-0.2 0.918 111.3 48.5 -65.0 -45.7 -12.0 2.8 39.2 28 40 A V H >X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 3,-1.6 0.956 112.9 48.3 -57.9 -49.8 -12.3 2.1 35.5 29 41 A A H 3< S+ 0 0 19 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.709 98.7 66.7 -67.1 -22.2 -12.1 -1.6 36.1 30 42 A S H 3< S+ 0 0 89 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.740 115.0 31.8 -68.5 -17.6 -14.7 -1.5 38.9 31 43 A Q H << S+ 0 0 93 -3,-1.6 -2,-0.2 -4,-0.6 -1,-0.1 0.832 134.9 24.4-105.0 -50.4 -17.1 -0.6 36.0 32 44 A S S < S- 0 0 2 -4,-2.7 -1,-0.3 -5,-0.1 19,-0.1 -0.904 92.6-143.0-117.4 97.0 -15.7 -2.4 33.0 33 45 A P - 0 0 53 0, 0.0 16,-0.1 0, 0.0 -3,-0.1 -0.128 22.5 -95.4 -62.2 152.0 -13.8 -5.3 34.5 34 46 A F + 0 0 28 -5,-0.1 2,-0.3 14,-0.1 16,-0.2 -0.429 51.1 178.2 -58.2 139.2 -10.5 -6.6 33.0 35 47 A R B -C 49 0B 25 14,-2.2 14,-2.9 -3,-0.1 2,-0.8 -0.997 33.9-122.5-143.2 147.5 -11.2 -9.5 30.7 36 48 A Q - 0 0 110 -2,-0.3 12,-0.2 12,-0.3 2,-0.1 -0.830 38.5-140.5 -87.1 115.0 -9.0 -11.7 28.6 37 49 A M - 0 0 13 -2,-0.8 8,-3.2 10,-0.4 2,-0.5 -0.328 4.6-126.8 -77.7 155.8 -10.4 -11.3 25.0 38 50 A V B -H 44 0C 68 6,-0.2 6,-0.2 21,-0.1 -1,-0.1 -0.882 22.3-127.9-105.8 127.7 -10.8 -14.1 22.5 39 51 A T > - 0 0 36 4,-3.1 3,-1.5 -2,-0.5 20,-0.1 -0.225 27.6-106.9 -65.1 163.9 -9.3 -13.7 19.1 40 52 A P T 3 S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.862 123.8 57.6 -57.4 -34.5 -11.4 -14.3 16.0 41 53 A G T 3 S- 0 0 68 2,-0.1 20,-0.1 1,-0.0 -2,-0.0 0.513 125.0-105.1 -77.4 -6.3 -9.4 -17.5 15.5 42 54 A G S < S+ 0 0 49 -3,-1.5 2,-0.4 1,-0.3 -1,-0.0 0.594 74.4 131.1 100.0 13.9 -10.6 -18.6 18.9 43 55 A Y - 0 0 180 1,-0.0 -4,-3.1 0, 0.0 2,-0.5 -0.815 54.8-124.4 -98.9 140.0 -7.5 -18.2 21.2 44 56 A T B -H 38 0C 86 -2,-0.4 -6,-0.2 -6,-0.2 -7,-0.1 -0.686 27.5-122.8 -84.2 127.4 -7.7 -16.4 24.5 45 57 A M - 0 0 36 -8,-3.2 71,-0.1 -2,-0.5 -1,-0.1 -0.316 6.9-139.8 -66.0 148.3 -5.2 -13.5 24.9 46 58 A S S S+ 0 0 41 69,-0.4 65,-0.4 67,-0.1 2,-0.2 0.802 85.0 76.7 -80.2 -28.2 -2.8 -13.7 27.8 47 59 A V S S- 0 0 1 68,-0.4 -10,-0.4 63,-0.1 2,-0.4 -0.576 78.5-139.5 -76.6 138.9 -3.1 -9.9 28.5 48 60 A A E - D 0 109B 5 61,-2.5 61,-2.9 -2,-0.2 2,-0.3 -0.862 28.0-169.3 -99.6 145.7 -6.3 -8.9 30.2 49 61 A M E +CD 35 108B 4 -14,-2.9 -14,-2.2 -2,-0.4 2,-0.3 -0.893 23.8 165.1-135.5 154.0 -7.9 -5.7 29.0 50 62 A T E - D 0 107B 0 57,-1.7 57,-3.1 -2,-0.3 2,-0.3 -0.890 21.4-142.7-148.4-177.4 -10.5 -3.0 29.5 51 63 A N E - D 0 106B 1 -2,-0.3 2,-0.3 55,-0.2 55,-0.2 -0.966 9.4-167.2-143.1 160.4 -11.0 0.5 28.1 52 64 A C E + D 0 105B 0 53,-2.3 53,-2.0 -2,-0.3 3,-0.3 -0.936 50.9 49.5-141.1 168.9 -12.1 4.0 29.0 53 65 A G S S- 0 0 7 25,-2.7 24,-0.2 -2,-0.3 51,-0.2 -0.473 105.9 -47.1 93.6-171.7 -13.1 7.0 27.0 54 66 A H S S+ 0 0 150 49,-0.4 2,-0.4 -2,-0.2 50,-0.2 0.788 124.1 34.7 -74.9 -28.2 -15.5 7.2 24.1 55 67 A L - 0 0 30 48,-1.9 50,-0.5 -3,-0.3 2,-0.4 -0.988 65.1-164.7-131.0 138.1 -14.2 4.1 22.1 56 68 A G E -I 67 0D 0 11,-2.5 11,-2.5 -2,-0.4 2,-0.3 -0.951 23.1-121.3-119.9 140.3 -12.8 0.8 23.4 57 69 A W E +I 66 0D 25 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.633 41.7 165.3 -79.1 136.0 -10.8 -1.8 21.4 58 70 A T E -I 65 0D 3 7,-2.3 7,-2.4 -2,-0.3 2,-0.3 -0.975 33.6-123.8-145.5 157.5 -12.4 -5.2 21.4 59 71 A T E -I 64 0D 19 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.672 29.8-178.8 -94.7 162.3 -12.2 -8.5 19.5 60 72 A H E > -I 63 0D 92 3,-2.0 3,-0.6 -2,-0.3 -23,-0.0 -0.898 45.4-100.0-146.9 170.4 -15.2 -10.0 17.8 61 73 A R T 3 S+ 0 0 233 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.893 125.7 47.0 -56.6 -40.1 -16.0 -13.2 15.9 62 74 A Q T 3 S- 0 0 156 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.466 125.7 -83.1 -87.1 -4.8 -15.6 -11.1 12.7 63 75 A G E < -I 60 0D 19 -3,-0.6 -3,-2.0 2,-0.0 2,-0.3 -0.987 69.4 -24.9 141.8-154.9 -12.4 -9.3 13.6 64 76 A Y E +I 59 0D 127 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.749 57.9 177.2 -98.7 152.7 -11.2 -6.3 15.7 65 77 A L E -I 58 0D 84 -7,-2.4 -7,-2.3 -2,-0.3 2,-0.6 -0.995 31.7-137.8-154.5 140.7 -13.4 -3.3 16.4 66 78 A Y E +I 57 0D 33 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.0 -0.921 38.1 178.5 -93.5 126.7 -13.5 -0.0 18.3 67 79 A S E -I 56 0D 15 -11,-2.5 -11,-2.5 -2,-0.6 10,-0.1 -0.971 39.1-141.3-132.7 147.3 -16.9 0.3 20.0 68 80 A P S S+ 0 0 78 0, 0.0 9,-1.1 0, 0.0 2,-0.4 0.612 88.9 66.2 -75.9 -11.6 -18.6 2.8 22.2 69 81 A I B S-J 76 0E 67 7,-0.2 -13,-0.1 -13,-0.1 -2,-0.0 -0.910 83.2-125.4-118.9 136.8 -20.1 -0.0 24.2 70 82 A D > - 0 0 0 5,-2.9 4,-3.0 -2,-0.4 5,-0.5 -0.684 19.4-151.9 -75.7 116.2 -18.5 -2.6 26.5 71 83 A P T 4 S+ 0 0 67 0, 0.0 -1,-0.2 0, 0.0 -13,-0.0 0.679 92.8 54.5 -68.4 -13.3 -19.8 -5.9 25.0 72 84 A Q T 4 S+ 0 0 108 3,-0.1 -2,-0.0 1,-0.1 -40,-0.0 0.859 123.7 22.3 -84.8 -37.2 -19.4 -7.6 28.4 73 85 A T T 4 S- 0 0 38 -3,-0.3 -1,-0.1 2,-0.2 -41,-0.0 0.621 92.5-135.9-100.0 -20.1 -21.5 -5.0 30.4 74 86 A N S < S+ 0 0 126 -4,-3.0 3,-0.1 1,-0.3 -5,-0.0 0.666 72.1 107.6 63.1 20.8 -23.5 -3.7 27.5 75 87 A K S S- 0 0 127 -5,-0.5 -5,-2.9 1,-0.1 -1,-0.3 -0.836 83.0 -81.9-120.5 159.7 -22.9 -0.2 28.9 76 88 A P B -J 69 0E 93 0, 0.0 -7,-0.2 0, 0.0 -1,-0.1 -0.186 54.7 -98.3 -54.5 150.2 -20.6 2.6 27.7 77 89 A W - 0 0 10 -9,-1.1 -25,-0.2 -24,-0.2 3,-0.1 -0.384 55.5 -86.1 -60.9 151.5 -17.0 2.2 28.6 78 90 A P - 0 0 6 0, 0.0 -25,-2.7 0, 0.0 -1,-0.1 -0.282 55.2 -90.4 -58.9 149.2 -16.2 4.4 31.7 79 91 A A - 0 0 85 -27,-0.2 3,-0.0 1,-0.1 -25,-0.0 -0.240 49.7 -94.6 -55.5 147.0 -15.3 8.0 31.0 80 92 A M - 0 0 33 -28,-0.2 -1,-0.1 -3,-0.1 5,-0.0 -0.563 47.2-116.5 -65.8 120.7 -11.6 8.7 30.4 81 93 A P > - 0 0 17 0, 0.0 4,-2.5 0, 0.0 3,-0.5 -0.264 13.8-125.9 -57.9 142.3 -10.2 9.8 33.8 82 94 A Q H > S+ 0 0 138 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.861 111.2 59.5 -57.7 -35.0 -8.9 13.4 33.9 83 95 A S H > S+ 0 0 16 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.888 108.0 45.4 -60.7 -39.2 -5.6 12.0 35.3 84 96 A F H > S+ 0 0 0 -3,-0.5 4,-2.7 2,-0.2 5,-0.2 0.950 114.2 47.9 -66.1 -49.9 -5.2 9.9 32.2 85 97 A H H X S+ 0 0 69 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.894 113.2 47.0 -64.2 -39.5 -6.2 12.7 29.8 86 98 A N H X S+ 0 0 73 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.926 113.1 48.1 -69.0 -42.3 -3.8 15.2 31.4 87 99 A L H X S+ 0 0 4 -4,-1.9 4,-2.6 -5,-0.3 5,-0.2 0.941 112.3 50.0 -64.1 -44.6 -0.9 12.8 31.5 88 100 A C H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.923 110.7 49.3 -57.8 -46.8 -1.4 11.9 27.9 89 101 A Q H X S+ 0 0 70 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.925 112.7 47.4 -61.0 -44.5 -1.6 15.5 26.8 90 102 A R H X S+ 0 0 108 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.896 114.3 46.2 -65.7 -40.7 1.6 16.4 28.6 91 103 A A H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.935 111.4 51.5 -68.3 -45.9 3.5 13.3 27.2 92 104 A A H <>S+ 0 0 1 -4,-3.0 5,-3.2 -5,-0.2 4,-0.3 0.907 111.2 48.6 -55.4 -44.5 2.3 14.0 23.7 93 105 A T H ><5S+ 0 0 61 -4,-2.2 3,-1.5 -5,-0.2 -1,-0.2 0.931 109.9 50.5 -63.4 -46.5 3.4 17.6 23.9 94 106 A A H 3<5S+ 0 0 59 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.817 110.2 52.3 -58.1 -31.3 6.9 16.6 25.3 95 107 A A T 3<5S- 0 0 22 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.428 126.8 -97.7 -89.4 -2.1 7.2 14.1 22.4 96 108 A G T < 5S+ 0 0 56 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.674 96.5 106.6 95.7 20.6 6.4 16.7 19.7 97 109 A Y > < + 0 0 45 -5,-3.2 3,-1.6 -6,-0.2 -4,-0.2 -0.493 31.5 158.7-126.7 61.5 2.7 16.0 19.2 98 110 A P T 3 + 0 0 72 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 0.602 69.3 56.3 -66.5 -12.9 1.0 19.0 20.9 99 111 A D T 3 S+ 0 0 140 -7,-0.1 2,-0.1 -3,-0.1 -10,-0.0 0.383 72.8 132.6-100.9 3.4 -2.3 18.7 19.0 100 112 A F < - 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