==== 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 3T4H . COMPND 2 MOLECULE: ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE ALKB; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.MA,W.S.AIK,M.A.MCDONOUGH,C.J.SCHOFIELD . 202 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9762.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 64.4 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 29.7 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 . 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 . 15 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 13.4 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 . 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 14 B P 0 0 160 0, 0.0 3,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-178.0 -3.3 19.7 8.6 2 15 B L + 0 0 77 1,-0.3 2,-0.3 4,-0.1 5,-0.1 0.922 360.0 2.7 -59.2 -48.6 -5.5 17.1 6.9 3 16 B A S > S- 0 0 5 3,-0.2 3,-2.8 169,-0.0 -1,-0.3 -0.938 91.6-109.6-143.4 117.0 -3.9 14.3 9.0 4 17 B A T 3 S+ 0 0 46 -2,-0.3 165,-2.1 -3,-0.3 3,-0.1 -0.229 103.8 9.4 -51.9 119.7 -1.3 15.2 11.6 5 18 B G T 3 S+ 0 0 36 1,-0.3 161,-1.2 163,-0.2 2,-0.3 0.332 100.0 119.7 92.9 -8.5 2.1 13.9 10.4 6 19 B A E < -A 165 0A 21 -3,-2.8 2,-0.5 159,-0.2 -1,-0.3 -0.687 46.3-159.5 -89.7 147.6 0.9 13.0 6.9 7 20 B V E -A 164 0A 45 157,-2.2 157,-2.7 -2,-0.3 2,-0.5 -0.971 4.0-157.5-127.5 112.8 2.5 14.7 3.8 8 21 B I E -A 163 0A 46 -2,-0.5 2,-0.5 155,-0.2 155,-0.2 -0.828 8.4-174.9 -95.2 129.5 0.5 14.6 0.6 9 22 B L E > -A 162 0A 35 153,-3.4 153,-1.9 -2,-0.5 3,-1.7 -0.814 16.7-152.3-123.0 83.3 2.5 15.1 -2.6 10 23 B R T 3 S- 0 0 133 -2,-0.5 151,-0.2 1,-0.3 150,-0.1 -0.368 76.4 -2.4 -67.4 137.2 0.1 15.2 -5.4 11 24 B R T > S+ 0 0 145 147,-0.2 3,-1.8 148,-0.1 4,-0.4 0.561 87.1 136.9 60.6 15.7 1.4 14.0 -8.8 12 25 B F T < S+ 0 0 54 -3,-1.7 3,-0.2 1,-0.3 4,-0.2 0.847 78.5 37.3 -58.2 -34.7 4.8 13.4 -7.2 13 26 B A T 3> S+ 0 0 0 147,-3.1 4,-1.1 -4,-0.3 -1,-0.3 0.200 86.5 107.3-101.9 14.6 5.1 10.1 -9.1 14 27 B F T X4 S+ 0 0 80 -3,-1.8 3,-0.7 146,-0.4 4,-0.4 0.943 82.6 42.0 -61.8 -48.2 3.4 11.3 -12.3 15 28 B N T 34 S+ 0 0 158 -4,-0.4 3,-0.4 1,-0.2 4,-0.3 0.861 117.9 47.5 -68.4 -32.5 6.6 11.4 -14.4 16 29 B A T 3> S+ 0 0 28 -4,-0.2 4,-2.5 1,-0.2 3,-0.5 0.578 86.1 96.8 -80.3 -11.1 7.8 8.1 -13.0 17 30 B A H S+ 0 0 141 -3,-0.4 4,-2.0 -4,-0.4 -1,-0.2 0.926 114.5 43.8 -60.9 -41.2 5.1 4.6 -16.8 19 32 B Q H > S+ 0 0 99 -3,-0.5 4,-2.3 -4,-0.3 -2,-0.2 0.909 111.6 53.3 -68.8 -41.9 8.3 3.1 -15.5 20 33 B L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.902 109.8 49.1 -57.6 -40.9 6.7 2.1 -12.1 21 34 B I H X S+ 0 0 13 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.892 107.9 52.6 -70.9 -37.7 4.0 0.3 -14.0 22 35 B R H X S+ 0 0 179 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.911 111.5 48.4 -58.9 -40.8 6.5 -1.6 -16.2 23 36 B D H X S+ 0 0 23 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.868 106.1 55.6 -72.5 -33.5 8.2 -2.6 -13.0 24 37 B I H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.934 109.1 49.0 -58.1 -44.9 4.8 -3.7 -11.4 25 38 B N H X S+ 0 0 90 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.879 110.9 49.7 -63.3 -38.7 4.4 -6.0 -14.4 26 39 B D H X S+ 0 0 85 -4,-1.7 4,-0.5 2,-0.2 3,-0.3 0.926 111.6 47.5 -67.2 -45.7 7.9 -7.4 -14.0 27 40 B V H >X S+ 0 0 2 -4,-2.8 4,-2.8 1,-0.2 3,-1.7 0.947 112.1 50.9 -59.1 -45.5 7.4 -8.1 -10.3 28 41 B A H 3< S+ 0 0 18 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.749 97.9 65.9 -68.2 -21.9 4.1 -9.8 -11.1 29 42 B S H 3< S+ 0 0 90 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.703 115.5 31.1 -69.6 -16.8 5.6 -11.9 -13.8 30 43 B Q H << S+ 0 0 91 -3,-1.7 -2,-0.2 -4,-0.5 -1,-0.1 0.810 134.8 25.3-106.8 -52.8 7.5 -13.6 -11.0 31 44 B S S < S- 0 0 1 -4,-2.8 -1,-0.3 -5,-0.1 19,-0.1 -0.905 92.5-143.7-113.1 100.8 5.2 -13.3 -8.0 32 45 B P - 0 0 50 0, 0.0 -3,-0.1 0, 0.0 16,-0.1 -0.153 21.4 -96.7 -67.6 154.4 1.7 -13.1 -9.5 33 46 B F + 0 0 29 -5,-0.1 2,-0.3 16,-0.1 16,-0.2 -0.444 50.5 178.1 -61.4 141.2 -1.1 -11.0 -8.1 34 47 B R B -B 48 0A 27 14,-2.0 14,-2.7 -3,-0.1 2,-0.8 -0.993 33.9-120.8-144.5 150.8 -3.3 -13.1 -5.9 35 48 B Q - 0 0 107 -2,-0.3 12,-0.2 12,-0.2 10,-0.1 -0.843 37.5-148.0 -93.3 111.6 -6.4 -12.4 -3.8 36 49 B M - 0 0 10 -2,-0.8 8,-2.9 10,-0.4 2,-0.5 -0.300 9.8-118.0 -78.4 161.4 -5.5 -13.4 -0.3 37 50 B V B -H 43 0B 72 6,-0.2 6,-0.2 -2,-0.1 24,-0.1 -0.860 25.4-128.9-101.1 131.9 -7.9 -14.8 2.3 38 51 B T > - 0 0 37 4,-2.9 3,-2.5 -2,-0.5 25,-0.0 -0.358 28.4-106.7 -72.6 158.2 -8.5 -12.9 5.5 39 52 B P T 3 S+ 0 0 57 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.782 122.9 61.4 -55.1 -22.9 -8.1 -14.6 8.8 40 53 B G T 3 S- 0 0 62 2,-0.1 -2,-0.0 1,-0.0 -3,-0.0 0.531 123.1-104.4 -81.8 -8.0 -11.9 -14.4 8.9 41 54 B G S < S+ 0 0 53 -3,-2.5 2,-0.3 1,-0.3 -1,-0.0 0.471 76.1 130.5 106.5 4.0 -12.2 -16.5 5.7 42 55 B Y - 0 0 178 1,-0.0 -4,-2.9 -4,-0.0 2,-0.6 -0.678 58.1-124.0 -94.8 139.9 -13.1 -13.9 3.1 43 56 B T B -H 37 0B 92 -2,-0.3 -6,-0.2 -6,-0.2 -7,-0.1 -0.743 33.2-121.7 -81.7 124.7 -11.3 -13.5 -0.2 44 57 B M - 0 0 27 -8,-2.9 71,-0.1 -2,-0.6 69,-0.0 -0.331 6.9-144.7 -61.8 144.3 -10.0 -9.9 -0.5 45 58 B S S S+ 0 0 50 69,-0.4 65,-0.4 67,-0.1 2,-0.3 0.758 84.0 79.3 -81.6 -26.2 -11.3 -8.0 -3.5 46 59 B V S S- 0 0 0 68,-0.5 -10,-0.4 63,-0.1 2,-0.3 -0.654 78.9-141.1 -78.6 134.0 -7.9 -6.3 -3.8 47 60 B A E - C 0 108A 6 61,-2.4 61,-3.2 -2,-0.3 2,-0.3 -0.757 25.8-168.2 -95.2 145.2 -5.3 -8.4 -5.5 48 61 B M E +BC 34 107A 6 -14,-2.7 -14,-2.0 -2,-0.3 2,-0.3 -0.922 24.0 160.6-135.9 155.6 -1.8 -8.3 -4.0 49 62 B T E - C 0 106A 0 57,-1.8 57,-3.1 -2,-0.3 2,-0.3 -0.892 22.8-140.8-152.5-176.1 1.9 -9.1 -4.5 50 63 B N E - C 0 105A 0 -2,-0.3 2,-0.3 55,-0.2 55,-0.2 -0.981 9.7-166.1-144.1 157.8 5.2 -7.8 -3.0 51 64 B C E + C 0 104A 0 53,-1.9 53,-2.2 -2,-0.3 27,-0.2 -0.947 50.9 56.1-138.5 165.7 8.7 -7.0 -3.8 52 65 B G E S- C 0 103A 8 25,-2.7 24,-0.2 -2,-0.3 51,-0.2 -0.586 104.1 -53.5 106.4-174.4 11.7 -6.3 -1.6 53 66 B H S S+ 0 0 129 49,-0.6 2,-0.3 -2,-0.2 23,-0.2 0.851 125.1 35.9 -69.5 -32.7 13.3 -8.5 1.1 54 67 B L B -d 103 0A 20 48,-2.6 50,-0.6 -3,-0.2 2,-0.4 -0.920 66.7-166.1-124.9 149.1 10.0 -8.9 2.9 55 68 B G E -I 66 0C 0 11,-1.9 11,-2.4 -2,-0.3 2,-0.4 -0.990 24.1-119.5-135.8 138.5 6.4 -9.2 1.6 56 69 B W E +I 65 0C 23 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.643 45.6 155.3 -76.8 131.1 3.1 -9.0 3.5 57 70 B T E -I 64 0C 6 7,-2.5 7,-2.6 -2,-0.4 2,-0.3 -0.981 47.7-111.3-150.0 157.8 1.0 -12.1 3.4 58 71 B T E +I 63 0C 26 -2,-0.3 2,-0.3 5,-0.2 5,-0.3 -0.706 44.5 177.1 -83.5 146.2 -1.7 -13.9 5.3 59 72 B H E > -I 62 0C 79 3,-2.3 3,-1.6 -2,-0.3 -2,-0.0 -0.936 59.5 -7.6-156.4 134.5 -0.1 -17.1 6.7 60 73 B R T 3 S- 0 0 202 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.832 128.7 -56.6 38.7 44.5 -1.6 -19.8 9.0 61 74 B Q T 3 S+ 0 0 173 1,-0.3 -1,-0.3 -24,-0.1 2,-0.2 0.871 127.8 77.3 58.4 36.4 -4.7 -17.6 9.4 62 75 B G E < S-I 59 0C 27 -3,-1.6 -3,-2.3 -5,-0.0 2,-0.3 -0.776 82.7-101.8-141.2-163.6 -2.8 -14.6 10.7 63 76 B Y E +I 58 0C 106 -5,-0.3 2,-0.3 -2,-0.2 -5,-0.2 -0.910 42.5 153.2-118.7 155.7 -0.6 -12.0 8.9 64 77 B L E -I 57 0C 57 -7,-2.6 -7,-2.5 -2,-0.3 2,-0.5 -0.990 43.5-105.6-166.8 169.1 3.0 -11.7 8.7 65 78 B Y E -I 56 0C 34 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.0 -0.902 41.7-179.2 -98.0 129.8 6.0 -10.4 6.7 66 79 B S E -I 55 0C 28 -11,-2.4 -11,-1.9 -2,-0.5 10,-0.1 -0.968 35.7-144.2-130.4 141.8 7.9 -13.2 5.0 67 80 B P S S+ 0 0 57 0, 0.0 9,-1.1 0, 0.0 2,-0.4 0.663 89.7 67.2 -75.5 -12.7 11.0 -13.3 2.8 68 81 B I B S-J 75 0D 64 7,-0.2 -13,-0.1 -13,-0.1 -2,-0.1 -0.892 82.4-129.6-113.0 135.8 9.3 -16.1 0.8 69 82 B D > - 0 0 0 5,-3.0 4,-2.9 -2,-0.4 5,-0.5 -0.709 16.6-151.3 -76.4 115.9 6.2 -15.9 -1.4 70 83 B P T 4 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 -13,-0.0 0.707 92.6 56.7 -66.8 -14.4 4.0 -18.7 -0.2 71 84 B Q T 4 S+ 0 0 108 1,-0.1 -2,-0.0 3,-0.1 -40,-0.0 0.857 122.7 22.0 -80.7 -37.3 2.5 -19.0 -3.7 72 85 B T T 4 S- 0 0 29 -3,-0.4 -1,-0.1 2,-0.2 -41,-0.0 0.628 92.1-134.5-100.2 -17.8 5.8 -19.6 -5.5 73 86 B N S < S+ 0 0 128 -4,-2.9 3,-0.0 1,-0.3 -5,-0.0 0.631 74.6 105.3 64.1 18.3 7.9 -20.8 -2.6 74 87 B K S S- 0 0 123 -5,-0.5 -5,-3.0 1,-0.1 -1,-0.3 -0.797 83.9 -82.6-117.5 162.1 10.6 -18.4 -3.9 75 88 B P B -J 68 0D 89 0, 0.0 -7,-0.2 0, 0.0 -1,-0.1 -0.254 54.0 -97.6 -56.8 150.2 11.8 -15.0 -2.5 76 89 B W - 0 0 9 -9,-1.1 -25,-0.2 -23,-0.2 3,-0.1 -0.372 56.7 -85.5 -60.1 151.4 9.7 -12.0 -3.5 77 90 B P - 0 0 6 0, 0.0 -25,-2.7 0, 0.0 -1,-0.1 -0.271 54.8 -91.8 -57.3 147.4 11.2 -10.2 -6.5 78 91 B A - 0 0 83 -27,-0.2 -25,-0.0 1,-0.1 -51,-0.0 -0.224 50.2 -88.9 -56.6 152.1 13.9 -7.7 -5.6 79 92 B M - 0 0 46 -28,-0.1 -1,-0.1 -3,-0.1 -26,-0.0 -0.502 49.2-121.5 -62.1 119.2 12.9 -4.1 -5.1 80 93 B P > - 0 0 15 0, 0.0 4,-2.6 0, 0.0 3,-0.3 -0.286 13.8-121.0 -62.4 149.1 13.0 -2.4 -8.5 81 94 B Q H > S+ 0 0 168 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.889 113.0 55.5 -53.0 -44.4 15.2 0.6 -8.9 82 95 B S H > S+ 0 0 17 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.887 110.5 45.4 -60.6 -37.6 12.3 2.8 -9.9 83 96 B F H > S+ 0 0 0 -3,-0.3 4,-2.6 2,-0.2 5,-0.3 0.939 113.7 48.5 -68.5 -48.2 10.5 1.9 -6.7 84 97 B H H X S+ 0 0 101 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.937 114.6 45.5 -60.7 -46.8 13.5 2.4 -4.5 85 98 B N H X S+ 0 0 82 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.908 113.7 47.3 -65.0 -44.9 14.3 5.8 -6.0 86 99 B L H X S+ 0 0 1 -4,-2.1 4,-2.3 -5,-0.3 5,-0.2 0.929 112.7 49.2 -65.0 -43.6 10.8 7.2 -6.0 87 100 B C H X S+ 0 0 1 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.931 112.1 48.2 -63.1 -43.5 10.2 6.1 -2.4 88 101 B Q H X S+ 0 0 58 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.883 111.2 50.1 -65.8 -39.0 13.5 7.6 -1.2 89 102 B R H X S+ 0 0 110 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.902 114.9 44.3 -64.4 -41.0 12.8 10.9 -3.0 90 103 B A H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.931 113.6 48.8 -68.2 -47.8 9.3 11.1 -1.4 91 104 B A H <>S+ 0 0 2 -4,-3.1 5,-3.1 1,-0.2 4,-0.4 0.925 112.6 49.6 -60.8 -42.6 10.4 10.1 2.1 92 105 B T H ><5S+ 0 0 73 -4,-2.3 3,-1.3 -5,-0.3 -1,-0.2 0.920 109.2 49.8 -61.8 -45.1 13.2 12.6 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