==== 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 DNA REPAIR,OXIDOREDUCTASE/DNA 09-DEC-07 3BKZ . COMPND 2 MOLECULE: ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE ALKB; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K12; . AUTHOR C.YI,C.-G.YANG,C.HE . 201 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9752.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 126 62.7 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 . 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 . 14 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 7.5 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 0 159 0, 0.0 6,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 153.9 9.3 6.3 -27.6 2 15 A L - 0 0 13 4,-0.5 2,-0.3 1,-0.2 5,-0.2 0.930 360.0 -43.5 -60.5 -51.1 7.2 3.2 -27.7 3 16 A A B > S-A 6 0A 26 3,-1.3 3,-2.2 0, 0.0 2,-0.4 -0.950 82.3 -53.3-164.8 175.1 6.1 3.7 -31.3 4 17 A A T 3 S+ 0 0 47 1,-0.3 165,-0.8 -2,-0.3 162,-0.3 -0.507 131.4 1.3 -60.7 115.2 4.9 6.5 -33.7 5 18 A G T 3 S+ 0 0 35 -2,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.515 116.1 106.6 80.4 6.5 1.9 8.0 -31.8 6 19 A A B < +A 3 0A 2 -3,-2.2 -3,-1.3 159,-0.2 -4,-0.5 -0.943 40.6 169.2-121.3 141.0 2.5 5.7 -28.9 7 20 A V E -B 164 0B 43 157,-2.4 157,-2.7 -2,-0.4 2,-0.5 -0.991 27.5-138.8-145.0 150.3 3.9 6.4 -25.4 8 21 A I E -B 163 0B 32 -2,-0.3 2,-0.8 155,-0.2 155,-0.2 -0.970 12.4-162.5-108.1 124.3 4.2 4.7 -22.0 9 22 A L E > -B 162 0B 32 153,-3.8 153,-1.8 -2,-0.5 3,-1.7 -0.839 20.4-144.5-105.1 91.5 3.6 7.0 -19.0 10 23 A R T 3 S- 0 0 154 -2,-0.8 151,-0.1 1,-0.3 150,-0.1 -0.378 75.2 -8.3 -69.1 129.0 5.2 5.1 -16.2 11 24 A R T > S+ 0 0 105 147,-0.3 3,-1.6 -2,-0.2 4,-0.4 0.624 87.8 140.6 62.0 17.7 3.4 5.4 -12.8 12 25 A F T < S+ 0 0 74 -3,-1.7 3,-0.3 1,-0.3 149,-0.2 0.869 76.8 36.6 -55.3 -39.9 1.1 8.1 -14.3 13 26 A A T 3> S+ 0 0 0 147,-3.2 4,-0.9 -4,-0.3 -1,-0.3 0.199 86.0 106.8-100.2 13.9 -1.9 6.8 -12.5 14 27 A F T X4 S+ 0 0 102 -3,-1.6 3,-0.7 146,-0.3 4,-0.4 0.920 82.4 44.3 -60.0 -47.2 -0.1 5.8 -9.3 15 28 A N T 34 S+ 0 0 160 -4,-0.4 3,-0.2 -3,-0.3 4,-0.2 0.784 117.1 46.0 -68.7 -29.1 -1.5 8.6 -7.2 16 29 A A T 3> S+ 0 0 34 -4,-0.2 4,-2.4 1,-0.2 3,-0.3 0.519 87.1 97.7 -88.0 -7.0 -5.0 8.1 -8.5 17 30 A A H S+ 0 0 115 -4,-0.4 4,-1.8 -3,-0.2 -1,-0.2 0.910 114.3 43.5 -59.6 -44.8 -6.7 4.0 -4.7 19 32 A Q H > S+ 0 0 77 -3,-0.3 4,-2.1 -4,-0.2 -1,-0.2 0.893 111.6 54.7 -65.8 -41.6 -9.7 6.0 -6.0 20 33 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.900 108.4 49.2 -58.5 -41.2 -9.7 4.2 -9.3 21 34 A I H X S+ 0 0 14 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.875 107.7 53.5 -69.9 -38.4 -9.9 0.8 -7.5 22 35 A R H X S+ 0 0 130 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.907 111.6 46.7 -57.8 -41.6 -12.8 2.1 -5.3 23 36 A D H X S+ 0 0 29 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.822 106.7 56.8 -75.0 -30.1 -14.7 3.0 -8.5 24 37 A I H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.946 108.3 48.5 -58.9 -48.4 -13.9 -0.3 -10.2 25 38 A N H X S+ 0 0 89 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.876 110.9 50.8 -58.9 -40.0 -15.6 -2.0 -7.2 26 39 A D H X S+ 0 0 86 -4,-1.7 4,-0.5 2,-0.2 -1,-0.2 0.921 112.0 46.0 -63.5 -46.8 -18.6 0.4 -7.6 27 40 A V H >X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 3,-1.6 0.946 112.3 50.8 -60.7 -48.4 -18.9 -0.4 -11.3 28 41 A A H 3< S+ 0 0 19 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.725 99.0 65.6 -64.8 -23.7 -18.6 -4.2 -10.7 29 42 A S H 3< S+ 0 0 87 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.717 115.1 30.8 -68.8 -20.4 -21.3 -4.0 -8.0 30 43 A Q H << S+ 0 0 95 -3,-1.6 -2,-0.2 -4,-0.5 -1,-0.1 0.808 135.5 25.0-104.7 -48.9 -23.7 -3.1 -10.8 31 44 A S S < S- 0 0 2 -4,-2.7 -1,-0.3 -5,-0.1 19,-0.1 -0.916 92.1-144.9-117.3 98.5 -22.3 -4.8 -13.8 32 45 A P - 0 0 52 0, 0.0 2,-0.1 0, 0.0 16,-0.1 -0.179 23.2 -93.1 -64.3 154.4 -20.3 -7.8 -12.4 33 46 A F + 0 0 29 -5,-0.1 2,-0.3 14,-0.1 16,-0.2 -0.434 52.6 175.1 -58.7 137.8 -17.1 -9.1 -13.9 34 47 A R B -C 48 0B 25 14,-2.0 14,-2.8 -2,-0.1 2,-0.7 -0.992 34.9-119.2-147.5 149.2 -17.7 -12.0 -16.3 35 48 A Q - 0 0 108 -2,-0.3 12,-0.2 12,-0.2 2,-0.1 -0.825 36.4-140.9 -91.4 114.9 -15.7 -14.1 -18.7 36 49 A M - 0 0 12 -2,-0.7 8,-3.1 10,-0.5 2,-0.5 -0.407 6.2-128.4 -79.8 151.0 -17.0 -13.6 -22.2 37 50 A V B -I 43 0C 67 6,-0.2 6,-0.2 21,-0.1 -1,-0.1 -0.857 21.9-126.7-101.3 130.2 -17.3 -16.3 -24.8 38 51 A T > - 0 0 36 4,-3.2 3,-2.1 -2,-0.5 20,-0.1 -0.270 28.7-105.8 -66.5 158.0 -15.7 -15.8 -28.2 39 52 A P T 3 S+ 0 0 53 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.837 124.2 57.9 -49.7 -34.3 -17.9 -16.3 -31.4 40 53 A G T 3 S- 0 0 65 2,-0.1 20,-0.1 1,-0.0 -2,-0.0 0.512 124.5-104.4 -78.1 -8.0 -15.9 -19.6 -31.8 41 54 A G S < S+ 0 0 50 -3,-2.1 2,-0.4 1,-0.3 -1,-0.0 0.569 75.9 130.9 100.2 11.5 -17.1 -20.8 -28.4 42 55 A Y - 0 0 181 1,-0.0 -4,-3.2 0, 0.0 2,-0.4 -0.821 54.6-126.6 -99.1 136.0 -14.0 -20.4 -26.2 43 56 A T B -I 37 0C 87 -2,-0.4 -6,-0.2 -6,-0.2 -7,-0.1 -0.668 24.8-122.8 -82.2 128.1 -14.2 -18.6 -22.9 44 57 A M - 0 0 33 -8,-3.1 71,-0.1 -2,-0.4 -1,-0.1 -0.370 7.8-139.6 -64.3 146.3 -11.7 -15.7 -22.4 45 58 A S S S+ 0 0 44 69,-0.3 65,-0.4 67,-0.1 2,-0.2 0.788 83.7 82.3 -78.7 -29.5 -9.4 -16.0 -19.4 46 59 A V S S- 0 0 0 68,-0.5 -10,-0.5 63,-0.1 2,-0.4 -0.554 74.7-144.2 -71.5 137.1 -9.8 -12.3 -18.6 47 60 A A E + D 0 108B 7 61,-2.4 61,-3.5 -2,-0.2 2,-0.3 -0.874 30.7 177.9 -99.3 139.8 -12.9 -11.4 -16.7 48 61 A M E +CD 34 107B 2 -14,-2.8 -14,-2.0 -2,-0.4 2,-0.3 -0.910 25.9 175.1-141.1 163.6 -14.4 -8.1 -17.7 49 62 A T E - D 0 106B 0 57,-1.9 57,-3.0 -2,-0.3 2,-0.3 -0.874 21.6-135.4-148.6-176.0 -17.0 -5.4 -17.3 50 63 A N E - D 0 105B 1 -2,-0.3 2,-0.3 55,-0.2 55,-0.2 -0.960 11.2-168.9-140.8 158.9 -17.6 -2.0 -18.8 51 64 A C E + D 0 104B 0 53,-2.1 53,-2.3 -2,-0.3 3,-0.3 -0.954 49.2 49.6-142.0 166.2 -18.7 1.5 -17.9 52 65 A G E S- D 0 103B 8 25,-2.8 24,-0.2 -2,-0.3 51,-0.2 -0.538 105.3 -46.9 99.7-172.2 -19.6 4.6 -19.9 53 66 A H S S+ 0 0 150 49,-0.5 2,-0.3 -2,-0.2 50,-0.2 0.807 124.5 33.8 -68.4 -33.2 -22.1 5.0 -22.8 54 67 A L B -e 103 0B 33 48,-2.2 50,-0.5 -3,-0.3 2,-0.4 -0.951 65.4-163.2-128.4 147.4 -20.8 1.9 -24.6 55 68 A G E -J 66 0D 0 11,-2.1 11,-2.3 -2,-0.3 2,-0.3 -0.986 24.9-116.0-131.4 141.0 -19.4 -1.4 -23.6 56 69 A W E +J 65 0D 26 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.573 43.6 166.7 -75.6 130.9 -17.4 -4.0 -25.5 57 70 A T E -J 64 0D 5 7,-2.6 7,-2.3 -2,-0.3 2,-0.4 -0.928 30.1-127.5-138.9 162.0 -19.2 -7.4 -25.9 58 71 A T E +J 63 0D 28 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.901 23.5 178.9-107.8 143.0 -19.0 -10.6 -27.8 59 72 A H - 0 0 100 3,-3.4 3,-0.3 -2,-0.4 5,-0.0 -0.738 46.8-104.5-119.7 178.6 -21.8 -12.2 -29.8 60 73 A R S S+ 0 0 208 -2,-0.2 3,-0.1 1,-0.2 -1,-0.0 0.811 124.6 54.6 -65.5 -31.3 -22.0 -15.4 -31.9 61 74 A Q S S- 0 0 155 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.605 124.0 -87.2 -81.3 -14.8 -21.8 -13.0 -34.9 62 75 A G - 0 0 21 -3,-0.3 -3,-3.4 2,-0.0 2,-0.3 -0.992 64.9 -27.9 146.9-153.5 -18.6 -11.2 -33.7 63 76 A Y E +J 58 0D 135 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.769 59.9 162.9 -99.3 149.0 -17.5 -8.3 -31.5 64 77 A L E -J 57 0D 62 -7,-2.3 -7,-2.6 -2,-0.3 2,-0.4 -0.991 36.1-120.2-161.7 154.7 -19.7 -5.3 -30.8 65 78 A Y E -J 56 0D 35 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.0 -0.844 33.6-179.9 -97.0 136.2 -20.3 -2.2 -28.7 66 79 A S E -J 55 0D 30 -11,-2.3 -11,-2.1 -2,-0.4 10,-0.1 -0.989 35.5-143.1-135.7 143.5 -23.7 -2.0 -26.8 67 80 A P S S+ 0 0 73 0, 0.0 9,-1.3 0, 0.0 2,-0.4 0.633 89.5 69.8 -73.6 -13.5 -25.2 0.5 -24.5 68 81 A I B S-K 75 0E 62 7,-0.2 -13,-0.1 -13,-0.1 -2,-0.0 -0.885 83.3-127.6-112.5 135.1 -26.8 -2.4 -22.6 69 82 A D > - 0 0 0 5,-2.9 4,-2.9 -2,-0.4 5,-0.5 -0.708 18.9-150.0 -74.0 115.2 -25.0 -5.0 -20.4 70 83 A P T 4 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 -13,-0.0 0.663 93.1 53.7 -66.5 -16.0 -26.3 -8.3 -21.9 71 84 A Q T 4 S+ 0 0 106 3,-0.1 -40,-0.0 1,-0.1 -2,-0.0 0.891 123.6 22.9 -81.2 -44.5 -26.0 -10.1 -18.5 72 85 A T T 4 S- 0 0 41 2,-0.2 -1,-0.1 -3,-0.2 -41,-0.0 0.644 92.2-136.1 -94.1 -20.3 -28.1 -7.6 -16.5 73 86 A N S < S+ 0 0 126 -4,-2.9 3,-0.0 1,-0.3 -5,-0.0 0.666 72.0 109.2 61.5 20.9 -30.1 -6.1 -19.4 74 87 A K S S- 0 0 134 -5,-0.5 -5,-2.9 1,-0.1 -1,-0.3 -0.825 82.2 -83.5-115.0 158.5 -29.5 -2.7 -17.9 75 88 A P B -K 68 0E 90 0, 0.0 -7,-0.2 0, 0.0 -1,-0.1 -0.228 53.6 -98.3 -52.7 149.0 -27.2 0.1 -19.1 76 89 A W - 0 0 10 -9,-1.3 -25,-0.2 -24,-0.2 3,-0.1 -0.360 55.0 -86.0 -59.9 151.5 -23.6 -0.2 -18.2 77 90 A P - 0 0 8 0, 0.0 -25,-2.8 0, 0.0 -1,-0.1 -0.310 53.7 -93.8 -58.1 147.7 -22.7 2.0 -15.2 78 91 A A - 0 0 84 -27,-0.2 3,-0.0 1,-0.1 -25,-0.0 -0.278 49.7 -92.8 -59.3 149.0 -21.9 5.6 -15.9 79 92 A M - 0 0 34 -28,-0.2 -1,-0.1 -3,-0.1 5,-0.0 -0.541 46.3-116.4 -66.8 122.3 -18.2 6.3 -16.4 80 93 A P > - 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