==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 26-JUL-11 3T4V . COMPND 2 MOLECULE: ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE ALKB; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR W.S.AIK,M.A.MCDONOUGH,C.J.SCHOFIELD . 200 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9546.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 65.5 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 30.0 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 . 1 0.5 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 . 16 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 9.0 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 1 1 0 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 . 4 1 1 2 2 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 15 A L 0 0 149 0, 0.0 2,-0.3 0, 0.0 151,-0.0 0.000 360.0 360.0 360.0 -75.3 -5.7 17.3 7.5 2 16 A A > - 0 0 14 3,-0.2 3,-2.5 169,-0.0 166,-0.1 -0.854 360.0-127.2-129.3 109.8 -3.8 14.2 8.5 3 17 A A T 3 S+ 0 0 57 -2,-0.3 165,-2.2 1,-0.3 3,-0.1 -0.232 91.8 9.5 -60.8 124.2 -1.1 15.1 11.1 4 18 A G T 3 S+ 0 0 37 1,-0.4 161,-1.3 163,-0.2 2,-0.3 0.251 98.3 119.9 93.9 -12.9 2.3 13.8 10.1 5 19 A A E < -A 164 0A 22 -3,-2.5 2,-0.6 159,-0.2 -1,-0.4 -0.650 49.0-156.5 -87.2 141.6 1.2 12.8 6.5 6 20 A V E -A 163 0A 48 157,-2.4 157,-2.6 -2,-0.3 2,-0.6 -0.947 7.5-158.4-122.4 110.2 3.0 14.4 3.7 7 21 A I E -A 162 0A 48 -2,-0.6 2,-0.6 155,-0.2 155,-0.2 -0.779 10.9-177.4 -92.6 119.5 0.9 14.4 0.5 8 22 A L E > -A 161 0A 36 153,-3.4 153,-2.3 -2,-0.6 3,-1.6 -0.795 16.9-153.0-117.3 96.9 2.8 14.9 -2.7 9 23 A R T 3 S- 0 0 137 -2,-0.6 151,-0.2 1,-0.3 150,-0.1 -0.331 75.8 -0.2 -75.1 139.9 0.3 15.0 -5.5 10 24 A R T > S+ 0 0 142 147,-0.2 3,-1.7 148,-0.1 4,-0.4 0.535 86.3 135.9 58.1 19.5 1.6 13.8 -8.9 11 25 A F T < S+ 0 0 56 -3,-1.6 3,-0.3 1,-0.3 4,-0.2 0.844 78.6 38.0 -61.4 -36.7 5.0 13.1 -7.5 12 26 A A T 3> S+ 0 0 0 147,-2.9 4,-1.2 -4,-0.3 -1,-0.3 0.200 86.4 107.7 -95.5 7.3 5.2 9.8 -9.4 13 27 A F T X4 S+ 0 0 80 -3,-1.7 3,-0.5 146,-0.4 4,-0.3 0.935 83.1 40.8 -55.7 -48.4 3.4 11.1 -12.5 14 28 A N T 34 S+ 0 0 158 -4,-0.4 3,-0.3 -3,-0.3 4,-0.3 0.823 118.5 47.5 -70.7 -29.8 6.6 11.1 -14.7 15 29 A A T 3> S+ 0 0 28 -4,-0.2 4,-2.6 1,-0.2 3,-0.3 0.569 85.1 98.2 -82.1 -10.3 7.8 7.7 -13.3 16 30 A A H S+ 0 0 140 -4,-0.3 4,-2.3 -3,-0.3 -1,-0.2 0.938 114.7 43.6 -61.4 -45.2 5.0 4.2 -17.0 18 32 A Q H > S+ 0 0 99 -3,-0.3 4,-2.3 -4,-0.3 -2,-0.2 0.915 112.3 53.7 -63.4 -41.6 8.3 2.7 -15.7 19 33 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.909 109.8 47.5 -61.3 -40.2 6.6 1.8 -12.4 20 34 A I H X S+ 0 0 12 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.887 108.8 53.6 -72.5 -37.0 3.8 0.0 -14.2 21 35 A R H X S+ 0 0 113 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.910 111.3 47.9 -56.4 -41.1 6.3 -1.9 -16.3 22 36 A D H X S+ 0 0 25 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.876 107.2 54.1 -73.5 -35.6 8.0 -2.9 -13.1 23 37 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.927 109.6 49.8 -58.4 -45.9 4.7 -4.0 -11.5 24 38 A N H X S+ 0 0 90 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.913 110.9 48.9 -62.3 -40.6 4.2 -6.2 -14.6 25 39 A D H < S+ 0 0 85 -4,-2.1 4,-0.5 2,-0.2 -1,-0.2 0.899 111.3 48.9 -63.2 -41.6 7.6 -7.7 -14.2 26 40 A V H >X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 3,-1.8 0.957 111.1 50.2 -63.4 -47.5 7.1 -8.4 -10.5 27 41 A A H 3< S+ 0 0 18 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.695 98.4 66.1 -67.4 -21.2 3.8 -10.0 -11.2 28 42 A S T 3< S+ 0 0 91 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.687 114.7 32.5 -69.3 -17.8 5.3 -12.2 -13.9 29 43 A Q T <4 S+ 0 0 99 -3,-1.8 -2,-0.2 -4,-0.5 -1,-0.1 0.836 134.5 23.2-103.3 -59.5 7.2 -13.8 -11.0 30 44 A S S < S- 0 0 1 -4,-2.3 -1,-0.3 19,-0.1 19,-0.1 -0.935 93.6-140.7-107.7 105.1 4.9 -13.6 -8.0 31 45 A P - 0 0 49 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.129 22.2 -95.2 -66.8 154.6 1.4 -13.4 -9.6 32 46 A F + 0 0 28 -5,-0.1 2,-0.3 16,-0.1 16,-0.2 -0.489 52.4 178.3 -60.4 136.6 -1.3 -11.1 -8.2 33 47 A R B -B 47 0A 29 14,-2.1 14,-2.8 -2,-0.1 2,-0.7 -0.991 32.7-124.7-140.3 152.3 -3.6 -13.2 -5.9 34 48 A Q - 0 0 107 -2,-0.3 12,-0.2 12,-0.2 2,-0.1 -0.881 35.4-144.5 -96.5 114.9 -6.6 -12.5 -3.8 35 49 A M - 0 0 7 -2,-0.7 8,-3.1 10,-0.4 2,-0.5 -0.355 8.4-120.8 -76.3 157.6 -5.8 -13.6 -0.3 36 50 A V B -H 42 0B 74 6,-0.2 6,-0.2 -2,-0.1 24,-0.1 -0.874 26.0-134.2-100.4 127.6 -8.2 -15.2 2.2 37 51 A T > - 0 0 34 4,-2.9 3,-2.6 -2,-0.5 2,-0.3 -0.350 30.2 -97.5 -70.5 153.3 -8.8 -13.4 5.5 38 52 A P T 3 S+ 0 0 60 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.665 123.6 52.7 -58.8 133.9 -8.8 -15.1 8.8 39 53 A G T 3 S- 0 0 74 -2,-0.3 -2,-0.1 1,-0.1 -3,-0.0 0.040 125.2-100.1 106.6 -20.5 -12.6 -15.3 8.9 40 54 A G S < S+ 0 0 51 -3,-2.6 2,-0.3 1,-0.3 -1,-0.1 0.547 75.0 135.5 93.7 10.8 -12.6 -16.9 5.5 41 55 A Y - 0 0 179 -3,-0.1 -4,-2.9 -4,-0.0 2,-0.6 -0.701 53.5-123.5 -94.7 142.6 -13.5 -14.2 3.0 42 56 A T B -H 36 0B 93 -2,-0.3 -6,-0.2 -6,-0.2 -7,-0.1 -0.725 30.8-121.8 -85.0 122.5 -11.7 -13.7 -0.2 43 57 A M - 0 0 30 -8,-3.1 71,-0.1 -2,-0.6 -1,-0.0 -0.303 6.9-144.2 -60.5 144.7 -10.3 -10.1 -0.5 44 58 A S S S+ 0 0 50 69,-0.4 65,-0.4 67,-0.1 2,-0.3 0.800 83.4 78.7 -78.3 -30.4 -11.5 -8.1 -3.5 45 59 A V S S- 0 0 1 68,-0.5 -10,-0.4 63,-0.1 2,-0.3 -0.613 78.2-141.1 -77.4 134.2 -8.1 -6.5 -3.8 46 60 A A E - C 0 107A 4 61,-2.5 61,-3.3 -2,-0.3 2,-0.3 -0.763 24.9-167.7 -94.6 145.6 -5.5 -8.6 -5.5 47 61 A M E +BC 33 106A 9 -14,-2.8 -14,-2.1 -2,-0.3 2,-0.3 -0.925 23.5 160.0-133.7 156.2 -1.9 -8.4 -4.1 48 62 A T E - C 0 105A 0 57,-1.7 57,-3.0 -2,-0.3 2,-0.3 -0.890 22.6-142.6-151.6-174.4 1.7 -9.3 -4.6 49 63 A N E - C 0 104A 0 -2,-0.3 2,-0.3 55,-0.2 55,-0.2 -0.980 7.8-161.9-145.0 160.8 5.0 -8.0 -3.1 50 64 A C E + C 0 103A 0 53,-2.0 53,-2.1 -2,-0.3 27,-0.2 -0.956 51.8 54.8-138.9 165.8 8.6 -7.2 -4.0 51 65 A G E S- C 0 102A 7 25,-2.8 24,-0.2 -2,-0.3 51,-0.2 -0.592 103.5 -52.8 105.6-176.9 11.6 -6.8 -1.8 52 66 A H S S+ 0 0 133 49,-0.6 2,-0.3 -2,-0.2 23,-0.2 0.848 125.1 30.2 -66.6 -33.2 13.2 -9.0 0.8 53 67 A L B -d 102 0A 20 48,-2.4 50,-0.6 -3,-0.2 2,-0.3 -0.921 67.6-170.4-125.0 153.2 9.9 -9.4 2.6 54 68 A G E -I 65 0C 0 11,-1.9 11,-2.7 -2,-0.3 2,-0.3 -0.998 27.4-109.2-146.9 154.9 6.3 -9.3 1.6 55 69 A W E +I 64 0C 31 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.577 50.8 145.9 -83.9 129.5 3.0 -9.2 3.3 56 70 A T E -I 63 0C 5 7,-2.6 7,-2.3 -2,-0.3 2,-0.2 -0.998 49.3-101.8-155.8 157.0 0.9 -12.4 3.1 57 71 A T E +I 62 0C 34 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.526 41.5 170.2 -68.6 144.8 -1.6 -14.6 4.9 58 72 A H E > -I 61 0C 87 3,-2.4 3,-1.5 -2,-0.2 -2,-0.0 -0.857 63.0 -10.3-153.9 138.2 -0.1 -17.7 6.4 59 73 A R T 3 S- 0 0 204 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.779 126.7 -53.0 45.8 39.5 -1.7 -20.2 8.8 60 74 A Q T 3 S+ 0 0 179 1,-0.3 2,-0.3 -24,-0.1 -1,-0.3 0.826 126.6 78.2 66.3 31.5 -4.8 -18.0 9.4 61 75 A G E < S-I 58 0C 27 -3,-1.5 -3,-2.4 -5,-0.0 2,-0.3 -0.843 78.5-111.6-149.4-178.1 -2.8 -15.0 10.4 62 76 A Y E +I 57 0C 79 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.898 40.8 146.2-118.4 150.7 -0.9 -12.3 8.5 63 77 A L E -I 56 0C 68 -7,-2.3 -7,-2.6 -2,-0.3 2,-0.5 -0.985 48.7 -92.6-166.2 175.7 2.9 -11.7 8.4 64 78 A Y E -I 55 0C 34 -2,-0.3 -9,-0.2 -9,-0.2 -2,-0.0 -0.877 45.5-175.5 -96.0 126.7 5.9 -10.6 6.5 65 79 A S E -I 54 0C 25 -11,-2.7 -11,-1.9 -2,-0.5 10,-0.2 -0.957 33.7-145.6-127.6 139.8 7.6 -13.5 4.8 66 80 A P S S+ 0 0 59 0, 0.0 9,-0.9 0, 0.0 2,-0.4 0.655 90.7 61.5 -72.5 -16.2 10.8 -13.7 2.8 67 81 A I B S-J 74 0D 64 7,-0.2 -13,-0.1 -13,-0.1 -2,-0.1 -0.918 84.5-127.3-116.7 137.9 9.1 -16.4 0.7 68 82 A D > - 0 0 0 5,-3.1 4,-2.5 -2,-0.4 5,-0.5 -0.717 17.5-149.1 -76.5 117.4 6.0 -16.1 -1.5 69 83 A P T 4 S+ 0 0 56 0, 0.0 -1,-0.2 0, 0.0 -13,-0.0 0.737 93.8 56.3 -62.9 -20.5 3.7 -19.0 -0.3 70 84 A Q T 4 S+ 0 0 104 1,-0.1 -40,-0.0 3,-0.1 -2,-0.0 0.871 122.8 21.5 -78.3 -41.5 2.2 -19.3 -3.8 71 85 A T T 4 S- 0 0 39 -3,-0.3 -1,-0.1 2,-0.2 -41,-0.0 0.644 92.6-134.4 -94.3 -15.5 5.5 -19.8 -5.7 72 86 A N S < S+ 0 0 126 -4,-2.5 3,-0.1 1,-0.3 -2,-0.0 0.604 74.5 105.4 58.0 22.1 7.6 -21.1 -2.7 73 87 A K S S- 0 0 141 -5,-0.5 -5,-3.1 1,-0.1 -1,-0.3 -0.762 84.1 -82.1-120.5 162.0 10.3 -18.7 -4.0 74 88 A P B -J 67 0D 88 0, 0.0 -7,-0.2 0, 0.0 -1,-0.1 -0.275 54.1 -99.1 -55.3 150.6 11.5 -15.4 -2.7 75 89 A W - 0 0 9 -9,-0.9 -25,-0.2 -23,-0.2 3,-0.1 -0.361 56.3 -83.5 -60.4 156.4 9.5 -12.4 -3.7 76 90 A P - 0 0 7 0, 0.0 -25,-2.8 0, 0.0 -1,-0.1 -0.299 54.8 -91.7 -62.5 151.5 11.1 -10.6 -6.7 77 91 A A - 0 0 84 -27,-0.2 -25,-0.0 1,-0.1 0, 0.0 -0.205 50.7 -89.6 -58.8 149.3 13.8 -8.1 -5.9 78 92 A M - 0 0 44 -28,-0.1 -1,-0.1 -3,-0.1 -26,-0.0 -0.526 47.5-120.1 -61.2 120.3 12.8 -4.5 -5.3 79 93 A P > - 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