==== 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 21-JUL-10 3O1M . 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 . 201 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9626.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 127 63.2 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 29.9 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 . 14 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.0 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 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 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 0 153 0, 0.0 6,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 149.9 15.9 9.8 18.8 2 15 A L - 0 0 11 4,-0.8 2,-0.3 1,-0.3 5,-0.2 0.908 360.0 -46.3 -60.5 -44.6 13.8 6.6 18.9 3 16 A A B > S-A 6 0A 23 3,-1.2 3,-2.3 0, 0.0 2,-0.3 -0.943 85.0 -49.6-171.6 174.6 12.9 7.1 15.2 4 17 A A T 3 S+ 0 0 50 1,-0.3 165,-0.7 -2,-0.3 162,-0.3 -0.484 132.8 4.0 -58.8 118.5 11.7 9.9 12.8 5 18 A G T 3 S+ 0 0 37 -2,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.484 116.3 104.1 82.8 3.2 8.8 11.4 14.6 6 19 A A B < +A 3 0A 7 -3,-2.3 -3,-1.2 159,-0.2 -4,-0.8 -0.928 39.4 164.5-125.3 144.8 9.3 9.2 17.7 7 20 A V E -B 164 0B 43 157,-2.4 157,-2.6 -2,-0.4 2,-0.5 -0.993 28.7-135.9-150.8 150.8 10.7 9.8 21.1 8 21 A I E -B 163 0B 24 -2,-0.3 2,-0.8 155,-0.2 155,-0.2 -0.971 12.3-160.5-107.9 130.9 10.9 8.3 24.6 9 22 A L E > -B 162 0B 28 153,-3.6 153,-1.9 -2,-0.5 3,-1.6 -0.895 22.2-141.8-108.0 96.3 10.4 10.6 27.5 10 23 A R T 3 S- 0 0 158 -2,-0.8 151,-0.1 1,-0.3 150,-0.1 -0.407 75.5 -8.9 -71.8 132.2 11.9 8.7 30.4 11 24 A R T > S+ 0 0 104 147,-0.2 3,-1.6 -2,-0.1 4,-0.4 0.647 87.5 141.7 59.1 19.2 10.0 9.0 33.7 12 25 A F T < S+ 0 0 53 -3,-1.6 3,-0.3 1,-0.3 149,-0.2 0.864 76.4 37.1 -55.6 -39.7 7.8 11.7 32.2 13 26 A A T 3> S+ 0 0 0 147,-3.4 4,-0.9 -4,-0.3 -1,-0.3 0.228 86.4 106.4 -98.0 10.5 4.8 10.3 34.1 14 27 A F T X4 S+ 0 0 104 -3,-1.6 3,-0.8 146,-0.4 4,-0.4 0.933 82.4 44.2 -56.8 -48.6 6.6 9.4 37.3 15 28 A N T 34 S+ 0 0 156 -4,-0.4 3,-0.3 -3,-0.3 4,-0.3 0.843 117.2 45.9 -67.6 -31.6 5.2 12.3 39.3 16 29 A A T 3> S+ 0 0 28 -4,-0.2 4,-2.3 1,-0.2 3,-0.3 0.522 86.9 99.3 -85.3 -7.9 1.7 11.7 38.0 17 30 A A H S+ 0 0 117 -4,-0.4 4,-2.2 -3,-0.3 -1,-0.2 0.921 114.3 43.8 -59.3 -45.2 -0.1 7.5 41.8 19 32 A Q H > S+ 0 0 74 -3,-0.3 4,-2.4 -4,-0.3 -1,-0.2 0.902 111.5 54.5 -64.3 -42.1 -3.0 9.6 40.5 20 33 A L H X S+ 0 0 1 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.905 109.2 48.5 -58.6 -40.0 -3.0 7.8 37.2 21 34 A I H X S+ 0 0 14 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.910 108.3 52.8 -71.9 -39.4 -3.2 4.5 39.0 22 35 A R H X S+ 0 0 130 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.899 111.8 47.5 -56.3 -41.9 -6.1 5.7 41.2 23 36 A D H X S+ 0 0 30 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.825 105.9 56.9 -74.5 -30.2 -7.9 6.7 38.0 24 37 A I H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.943 108.4 48.8 -60.6 -45.0 -7.2 3.3 36.3 25 38 A N H X S+ 0 0 88 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.871 110.9 50.3 -61.6 -36.3 -8.9 1.7 39.3 26 39 A D H X S+ 0 0 86 -4,-1.6 4,-0.5 2,-0.2 3,-0.3 0.932 111.4 47.5 -68.1 -45.7 -11.8 4.0 38.9 27 40 A V H >X S+ 0 0 1 -4,-2.8 4,-2.7 1,-0.2 3,-1.6 0.945 112.3 49.5 -58.7 -48.4 -12.2 3.3 35.2 28 41 A A H 3< S+ 0 0 18 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.698 98.4 67.0 -66.8 -21.5 -12.0 -0.5 35.7 29 42 A S H 3< S+ 0 0 88 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.720 114.8 30.8 -70.2 -17.2 -14.6 -0.3 38.5 30 43 A Q H << S+ 0 0 94 -3,-1.6 -2,-0.2 -4,-0.5 -1,-0.1 0.803 135.8 25.0-106.9 -47.5 -17.0 0.7 35.7 31 44 A S S < S- 0 0 1 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.1 -0.897 92.5-144.6-118.7 97.2 -15.6 -1.2 32.7 32 45 A P - 0 0 51 0, 0.0 -3,-0.1 0, 0.0 16,-0.1 -0.162 21.9 -95.5 -64.6 153.5 -13.6 -4.1 34.1 33 46 A F + 0 0 27 -5,-0.1 2,-0.3 14,-0.1 16,-0.2 -0.416 50.5 177.6 -59.6 138.6 -10.4 -5.4 32.7 34 47 A R B -C 48 0B 26 14,-2.0 14,-2.9 -3,-0.1 2,-0.8 -0.995 34.3-123.2-144.5 144.5 -11.1 -8.4 30.4 35 48 A Q - 0 0 103 -2,-0.3 12,-0.2 12,-0.3 10,-0.1 -0.818 38.8-140.4 -87.1 112.5 -8.9 -10.6 28.3 36 49 A M - 0 0 13 -2,-0.8 8,-3.1 10,-0.4 2,-0.5 -0.323 4.6-126.4 -74.8 155.2 -10.3 -10.2 24.8 37 50 A V B -I 43 0C 71 6,-0.2 6,-0.2 21,-0.1 -1,-0.1 -0.872 23.6-126.8-104.3 128.4 -10.7 -13.1 22.3 38 51 A T > - 0 0 34 4,-2.9 3,-2.0 -2,-0.5 20,-0.0 -0.244 28.3-105.9 -66.4 161.0 -9.2 -12.6 18.9 39 52 A P T 3 S+ 0 0 56 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.855 123.9 58.9 -53.8 -31.3 -11.3 -13.2 15.8 40 53 A G T 3 S- 0 0 66 2,-0.1 20,-0.1 1,-0.0 -2,-0.0 0.549 124.0-104.0 -78.3 -9.2 -9.4 -16.4 15.4 41 54 A G S < S+ 0 0 49 -3,-2.0 2,-0.4 1,-0.3 -1,-0.0 0.542 75.3 130.9 103.8 9.7 -10.5 -17.6 18.8 42 55 A Y - 0 0 181 1,-0.0 -4,-2.9 0, 0.0 2,-0.5 -0.790 55.2-125.8 -97.3 137.8 -7.4 -17.1 21.1 43 56 A T B -I 37 0C 88 -2,-0.4 -6,-0.2 -6,-0.2 -7,-0.1 -0.690 27.9-124.3 -83.2 124.5 -7.6 -15.3 24.4 44 57 A M - 0 0 29 -8,-3.1 71,-0.1 -2,-0.5 -1,-0.1 -0.284 5.8-139.7 -64.6 148.8 -5.2 -12.5 24.7 45 58 A S S S+ 0 0 41 69,-0.3 65,-0.4 67,-0.1 2,-0.3 0.784 84.3 77.8 -81.8 -27.6 -2.7 -12.6 27.6 46 59 A V S S- 0 0 0 68,-0.4 -10,-0.4 63,-0.1 2,-0.4 -0.628 78.9-138.3 -78.8 135.5 -3.0 -8.8 28.2 47 60 A A E - D 0 108B 5 61,-2.6 61,-2.9 -2,-0.3 2,-0.3 -0.821 30.0-169.1 -94.4 140.8 -6.2 -7.7 30.1 48 61 A M E +CD 34 107B 3 -14,-2.9 -14,-2.0 -2,-0.4 2,-0.3 -0.873 24.7 160.8-132.2 156.9 -7.8 -4.6 28.7 49 62 A T E - D 0 106B 0 57,-1.5 57,-3.2 -2,-0.3 2,-0.3 -0.902 22.7-140.2-154.1-179.0 -10.4 -1.9 29.1 50 63 A N E - D 0 105B 1 -2,-0.3 2,-0.3 55,-0.2 55,-0.2 -0.955 10.4-168.1-142.2 161.0 -10.9 1.6 27.7 51 64 A C E + D 0 104B 0 53,-2.2 53,-2.0 -2,-0.3 3,-0.3 -0.933 51.4 51.4-142.6 169.0 -11.9 5.1 28.6 52 65 A G S S- 0 0 8 25,-2.4 24,-0.2 -2,-0.3 51,-0.2 -0.476 106.2 -48.8 94.8-174.6 -12.8 8.1 26.5 53 66 A H S S+ 0 0 151 49,-0.5 2,-0.4 -2,-0.2 50,-0.2 0.786 124.0 35.8 -71.5 -29.5 -15.2 8.4 23.6 54 67 A L B -e 103 0B 33 48,-2.0 50,-0.6 -3,-0.3 2,-0.4 -0.984 64.7-164.6-130.6 140.0 -13.9 5.3 21.8 55 68 A G E -J 66 0D 0 11,-2.2 11,-2.3 -2,-0.4 2,-0.3 -0.952 23.0-121.9-122.5 140.6 -12.5 1.9 23.0 56 69 A W E +J 65 0D 21 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.618 42.3 163.4 -79.0 136.9 -10.6 -0.7 21.1 57 70 A T E -J 64 0D 5 7,-2.1 7,-2.5 -2,-0.3 2,-0.2 -0.988 32.3-129.4-148.6 156.1 -12.2 -4.1 21.1 58 71 A T E +J 63 0D 19 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.660 28.3 171.7 -96.9 162.2 -12.1 -7.4 19.3 59 72 A H E > -J 62 0D 66 3,-2.2 3,-1.3 -2,-0.2 -2,-0.0 -0.937 51.1 -87.2-154.1 179.0 -15.1 -9.2 17.8 60 73 A R T 3 S+ 0 0 214 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.882 125.7 48.2 -56.0 -37.7 -15.8 -12.2 15.6 61 74 A Q T 3 S- 0 0 134 1,-0.1 2,-0.3 -3,-0.0 -1,-0.3 0.499 123.6 -82.9 -86.6 -5.4 -15.5 -10.0 12.5 62 75 A G E < -J 59 0D 16 -3,-1.3 -3,-2.2 2,-0.0 2,-0.3 -0.999 69.5 -27.3 144.3-149.8 -12.3 -8.3 13.4 63 76 A Y E +J 58 0D 123 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.783 56.5 178.6-104.8 155.1 -11.1 -5.3 15.4 64 77 A L E -J 57 0D 79 -7,-2.5 -7,-2.1 -2,-0.3 2,-0.5 -0.989 30.2-138.7-155.0 140.9 -13.3 -2.2 16.1 65 78 A Y E +J 56 0D 28 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.0 -0.909 38.9 173.9 -92.6 129.0 -13.3 1.1 17.9 66 79 A S E -J 55 0D 17 -11,-2.3 -11,-2.2 -2,-0.5 10,-0.1 -0.990 42.9-137.4-139.3 148.3 -16.7 1.5 19.6 67 80 A P S S+ 0 0 77 0, 0.0 9,-1.2 0, 0.0 2,-0.4 0.593 90.1 69.6 -73.8 -11.3 -18.4 4.0 21.9 68 81 A I B S-K 75 0E 65 7,-0.2 -13,-0.1 -13,-0.1 -2,-0.0 -0.913 80.9-129.4-117.2 134.4 -19.9 1.1 23.8 69 82 A D > - 0 0 0 5,-2.8 4,-3.1 -2,-0.4 5,-0.5 -0.697 17.5-150.2 -75.6 116.8 -18.2 -1.6 26.1 70 83 A P T 4 S+ 0 0 71 0, 0.0 -1,-0.2 0, 0.0 -13,-0.0 0.695 93.2 53.7 -68.5 -14.6 -19.5 -4.9 24.7 71 84 A Q T 4 S+ 0 0 108 3,-0.1 -2,-0.0 1,-0.1 -40,-0.0 0.873 123.3 23.2 -84.2 -38.6 -19.2 -6.4 28.2 72 85 A T T 4 S- 0 0 35 2,-0.2 -1,-0.1 -3,-0.2 -41,-0.0 0.660 92.2-137.0 -97.9 -20.6 -21.3 -3.9 30.1 73 86 A N S < S+ 0 0 121 -4,-3.1 3,-0.0 1,-0.3 -5,-0.0 0.685 71.9 105.7 62.2 22.7 -23.3 -2.6 27.1 74 87 A K S S- 0 0 125 -5,-0.5 -5,-2.8 1,-0.1 -1,-0.3 -0.829 84.2 -81.0-120.1 161.7 -22.7 0.9 28.5 75 88 A P B -K 68 0E 93 0, 0.0 -7,-0.2 0, 0.0 -1,-0.1 -0.235 54.9 -97.7 -54.3 149.2 -20.4 3.7 27.2 76 89 A W - 0 0 10 -9,-1.2 -25,-0.2 -24,-0.2 3,-0.1 -0.372 55.5 -86.7 -59.6 152.3 -16.8 3.4 28.2 77 90 A P - 0 0 8 0, 0.0 -25,-2.4 0, 0.0 -1,-0.1 -0.241 53.5 -90.7 -59.3 151.6 -16.0 5.5 31.3 78 91 A A - 0 0 84 -27,-0.2 3,-0.0 1,-0.1 -25,-0.0 -0.281 49.5 -95.3 -58.3 148.3 -15.1 9.2 30.6 79 92 A M - 0 0 33 -28,-0.2 -1,-0.1 -3,-0.1 5,-0.0 -0.560 46.1-115.5 -67.9 121.8 -11.4 9.8 30.1 80 93 A P > - 0 0 16 0, 0.0 4,-2.3 0, 0.0 3,-0.3 -0.249 14.2-125.9 -57.4 144.7 -10.0 10.9 33.5 81 94 A Q H > S+ 0 0 137 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.855 111.7 59.3 -60.2 -33.5 -8.7 14.5 33.6 82 95 A S H > S+ 0 0 17 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.899 108.3 45.8 -60.9 -39.8 -5.4 13.2 35.0 83 96 A F H > S+ 0 0 0 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.932 113.6 47.4 -65.6 -49.9 -5.1 11.0 31.8 84 97 A H H X S+ 0 0 70 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.904 113.9 47.2 -64.9 -40.3 -6.0 13.8 29.4 85 98 A N H X S+ 0 0 76 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.935 112.9 47.9 -66.5 -45.9 -3.6 16.3 31.0 86 99 A L H X S+ 0 0 4 -4,-2.0 4,-2.7 -5,-0.3 5,-0.2 0.936 112.4 50.2 -61.6 -44.5 -0.7 13.9 31.2 87 100 A C H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.919 110.0 50.0 -57.6 -47.4 -1.3 13.0 27.5 88 101 A Q H X S+ 0 0 70 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.909 112.6 46.3 -60.2 -45.3 -1.4 16.6 26.4 89 102 A R H X S+ 0 0 108 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.916 114.3 47.7 -65.9 -43.1 1.8 17.5 28.2 90 103 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.938 111.6 50.0 -63.2 -46.8 3.6 14.4 26.9 91 104 A A H <>S+ 0 0 1 -4,-3.0 5,-3.3 -5,-0.2 4,-0.3 0.910 111.7 49.1 -58.8 -43.0 2.4 15.0 23.3 92 105 A T H ><5S+ 0 0 60 -4,-2.2 3,-1.7 1,-0.2 -1,-0.2 0.941 110.1 49.7 -63.3 -46.8 3.6 18.7 23.5 93 106 A A H 3<5S+ 0 0 60 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.840 109.9 53.0 -60.5 -32.1 7.0 17.7 24.8 94 107 A A T 3<5S- 0 0 21 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.429 127.1 -98.8 -85.5 -0.6 7.3 15.2 22.0 95 108 A G T < 5S+ 0 0 55 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.1 0.676 96.1 107.9 93.5 20.5 6.6 17.8 19.4 96 109 A Y > < + 0 0 43 -5,-3.3 3,-1.6 -6,-0.2 -4,-0.2 -0.501 31.3 158.4-124.3 61.9 2.9 17.1 18.8 97 110 A P T 3 + 0 0 69 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 0.695 69.0 55.8 -63.1 -21.4 1.2 20.0 20.5 98 111 A D T 3 S+ 0 0 141 -7,-0.1 2,-0.1 -3,-0.1 -10,-0.0 0.445 73.1 132.7 -94.9 0.5 -2.1 19.7 18.6 99 112 A F < - 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