==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-DEC-05 2FDJ . COMPND 2 MOLECULE: ALKYLATED DNA REPAIR PROTEIN ALKB; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K12; . AUTHOR B.YU,J.BENACH,W.C.EDSTROM,B.R.GIBNEY,J.F.HUNT,NORTHEAST . 207 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10687.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 64.7 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 29.0 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 . 17 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 12.6 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 . 3 2 1 2 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 . 2 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 13 A E 0 0 237 0, 0.0 2,-0.0 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 134.2 -2.7 22.8 9.4 2 14 A P - 0 0 79 0, 0.0 3,-0.2 0, 0.0 6,-0.1 -0.236 360.0-126.3 -78.0 166.8 -2.8 19.4 7.5 3 15 A L S S+ 0 0 104 1,-0.3 2,-0.4 4,-0.1 151,-0.0 0.819 106.1 24.3 -78.2 -37.7 -5.7 17.1 6.6 4 16 A A S > S- 0 0 6 3,-0.2 3,-2.6 0, 0.0 -1,-0.3 -0.956 94.4-117.0-134.2 112.8 -3.9 14.2 8.4 5 17 A A T 3 S+ 0 0 41 -2,-0.4 165,-2.7 1,-0.3 166,-0.2 -0.245 99.9 6.9 -50.5 118.5 -1.3 14.9 11.1 6 18 A G T 3 S+ 0 0 35 1,-0.3 161,-1.3 163,-0.2 -1,-0.3 0.296 100.1 121.2 91.2 -11.4 2.1 13.7 9.9 7 19 A A E < -A 166 0A 18 -3,-2.6 2,-0.5 159,-0.2 -1,-0.3 -0.646 47.5-156.2 -88.2 145.3 1.0 12.8 6.4 8 20 A V E -A 165 0A 42 157,-2.1 157,-2.5 -2,-0.3 2,-0.6 -0.952 5.8-157.3-124.3 107.7 2.6 14.4 3.4 9 21 A I E -A 164 0A 50 -2,-0.5 2,-0.6 155,-0.2 155,-0.2 -0.777 10.5-177.6 -89.6 119.9 0.5 14.5 0.2 10 22 A L E > -A 163 0A 35 153,-3.7 153,-2.1 -2,-0.6 3,-1.5 -0.796 16.2-154.8-118.6 83.0 2.6 14.8 -2.9 11 23 A R T 3 S- 0 0 143 -2,-0.6 151,-0.2 1,-0.3 150,-0.1 -0.352 74.9 -2.4 -63.1 134.9 0.1 14.9 -5.8 12 24 A R T > S+ 0 0 142 147,-0.2 3,-1.8 1,-0.1 4,-0.4 0.540 88.3 136.3 62.2 9.5 1.4 13.8 -9.2 13 25 A F T < S+ 0 0 54 -3,-1.5 3,-0.2 1,-0.3 4,-0.2 0.834 78.5 34.8 -53.9 -37.0 4.8 13.2 -7.7 14 26 A A T 3> S+ 0 0 0 147,-3.0 4,-1.2 -4,-0.3 -1,-0.3 0.191 86.1 108.4-104.0 15.4 5.1 9.9 -9.5 15 27 A F T <4 S+ 0 0 78 -3,-1.8 4,-0.3 146,-0.4 3,-0.2 0.902 83.9 42.2 -58.6 -44.5 3.3 11.0 -12.7 16 28 A N T 4 S+ 0 0 154 -4,-0.4 3,-0.4 -3,-0.2 4,-0.3 0.844 116.8 46.9 -72.8 -34.5 6.5 11.0 -14.8 17 29 A A T > S+ 0 0 30 -4,-0.2 4,-2.5 1,-0.2 3,-0.3 0.590 87.6 98.7 -83.3 -8.1 7.9 7.8 -13.3 18 30 A A H X S+ 0 0 0 -4,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.825 76.6 50.6 -46.3 -52.3 4.5 6.0 -13.8 19 31 A E H > S+ 0 0 103 -3,-0.4 4,-2.1 -4,-0.3 -1,-0.2 0.922 114.2 44.3 -58.8 -45.7 5.1 4.2 -17.1 20 32 A Q H > S+ 0 0 77 -3,-0.3 4,-2.1 -4,-0.3 -1,-0.2 0.927 110.9 55.0 -65.2 -42.9 8.4 2.7 -15.8 21 33 A L H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.880 109.1 48.1 -57.3 -39.9 6.8 1.8 -12.5 22 34 A I H X S+ 0 0 12 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.916 106.6 55.1 -68.9 -41.6 4.1 -0.1 -14.3 23 35 A R H X S+ 0 0 131 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.889 111.5 47.3 -56.9 -39.0 6.6 -2.0 -16.5 24 36 A D H X S+ 0 0 26 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.796 106.2 55.4 -73.1 -32.0 8.2 -3.1 -13.2 25 37 A I H X S+ 0 0 0 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.940 110.4 47.5 -63.8 -44.9 4.9 -4.1 -11.6 26 38 A N H X S+ 0 0 86 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.874 111.6 50.2 -62.8 -37.9 4.3 -6.4 -14.6 27 39 A D H < S+ 0 0 82 -4,-1.6 4,-0.4 -5,-0.2 3,-0.4 0.930 112.2 46.7 -67.1 -44.5 7.9 -7.7 -14.3 28 40 A V H >X S+ 0 0 1 -4,-2.6 4,-2.9 1,-0.2 3,-1.4 0.915 110.9 53.1 -63.0 -42.5 7.4 -8.4 -10.6 29 41 A A H 3< S+ 0 0 20 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.734 97.4 65.3 -65.8 -25.2 4.0 -10.1 -11.3 30 42 A S T 3< S+ 0 0 88 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.661 115.9 29.8 -71.7 -16.1 5.6 -12.4 -13.9 31 43 A Q T <4 S+ 0 0 79 -3,-1.4 -2,-0.2 -4,-0.4 -1,-0.1 0.779 134.8 27.1-106.1 -51.4 7.5 -14.0 -11.0 32 44 A S S < S- 0 0 0 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.1 -0.877 91.5-144.4-115.9 93.9 5.2 -13.5 -8.0 33 45 A P - 0 0 60 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.079 22.3 -98.5 -57.6 153.3 1.7 -13.4 -9.6 34 46 A F + 0 0 29 -5,-0.1 2,-0.3 16,-0.1 16,-0.2 -0.532 50.5 179.7 -69.8 138.9 -1.1 -11.2 -8.2 35 47 A R B -B 49 0A 21 14,-2.1 14,-2.6 -2,-0.2 2,-0.8 -0.991 33.1-121.9-144.5 146.2 -3.3 -13.3 -6.0 36 48 A Q - 0 0 108 -2,-0.3 12,-0.2 12,-0.2 2,-0.1 -0.844 36.9-148.4 -90.2 110.1 -6.4 -12.6 -3.9 37 49 A M - 0 0 9 -2,-0.8 8,-2.7 10,-0.4 2,-0.4 -0.333 16.5-103.7 -76.2 161.7 -5.5 -13.5 -0.4 38 50 A V B -H 44 0B 69 6,-0.2 6,-0.2 -2,-0.1 -1,-0.1 -0.722 30.2-136.3 -92.1 135.8 -7.9 -14.9 2.2 39 51 A T > - 0 0 35 4,-3.6 3,-2.3 -2,-0.4 23,-0.1 -0.307 32.2 -96.4 -81.6 169.2 -9.3 -12.7 5.1 40 52 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.831 125.7 53.3 -54.8 -36.6 -9.6 -13.7 8.8 41 53 A G T 3 S- 0 0 64 2,-0.1 -3,-0.0 1,-0.0 -2,-0.0 0.375 124.9-102.5 -81.7 3.7 -13.3 -14.5 8.2 42 54 A G S < S+ 0 0 53 -3,-2.3 2,-0.2 1,-0.3 -1,-0.0 0.578 77.3 136.8 87.5 9.9 -12.4 -16.8 5.3 43 55 A Y - 0 0 183 1,-0.0 -4,-3.6 -5,-0.0 2,-0.5 -0.595 57.1-117.9 -90.7 151.8 -13.4 -14.4 2.5 44 56 A T B -H 38 0B 88 -6,-0.2 -6,-0.2 -2,-0.2 -7,-0.1 -0.790 33.5-118.2 -89.9 125.0 -11.4 -13.8 -0.6 45 57 A M - 0 0 27 -8,-2.7 71,-0.1 -2,-0.5 69,-0.1 -0.325 8.1-142.1 -60.6 140.9 -10.2 -10.2 -0.8 46 58 A S S S+ 0 0 50 69,-0.4 65,-0.4 67,-0.1 2,-0.3 0.784 85.8 79.1 -74.8 -25.4 -11.5 -8.3 -3.9 47 59 A V S S- 0 0 0 68,-0.5 -10,-0.4 63,-0.1 2,-0.3 -0.635 78.0-141.9 -84.0 137.2 -8.1 -6.6 -4.1 48 60 A A E - C 0 109A 5 61,-2.3 61,-3.2 -2,-0.3 2,-0.3 -0.789 25.5-172.4 -98.2 145.7 -5.3 -8.7 -5.7 49 61 A M E +BC 35 108A 4 -14,-2.6 -14,-2.1 -2,-0.3 2,-0.3 -0.894 22.3 161.8-139.5 167.4 -1.8 -8.5 -4.3 50 62 A T E - C 0 107A 0 57,-1.3 57,-3.5 -2,-0.3 2,-0.3 -0.924 22.8-135.4-166.6 173.2 1.9 -9.3 -4.6 51 63 A N E - C 0 106A 0 -2,-0.3 2,-0.3 55,-0.2 55,-0.2 -0.938 10.2-168.2-140.6 163.4 5.2 -8.1 -3.2 52 64 A C E + C 0 105A 0 53,-1.4 53,-1.6 -2,-0.3 27,-0.2 -0.962 51.7 56.7-147.0 152.8 8.7 -7.2 -4.1 53 65 A G S S- 0 0 5 25,-3.4 24,-0.3 -2,-0.3 51,-0.2 -0.514 103.9 -56.1 111.6 178.1 11.7 -6.5 -1.9 54 66 A H S S+ 0 0 116 -2,-0.2 23,-0.3 49,-0.1 2,-0.3 0.905 123.9 37.5 -61.6 -42.5 13.3 -8.7 0.7 55 67 A L B -d 104 0A 21 48,-3.3 50,-0.5 -3,-0.2 2,-0.4 -0.831 67.8-167.4-114.4 151.2 10.1 -9.0 2.7 56 68 A G E -I 67 0C 0 11,-1.6 11,-2.8 -2,-0.3 2,-0.4 -0.997 23.9-119.5-138.2 141.1 6.5 -9.4 1.5 57 69 A W E +I 66 0C 37 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.650 51.3 140.0 -79.1 132.6 3.2 -9.1 3.3 58 70 A T E -I 65 0C 5 7,-2.4 7,-2.3 -2,-0.4 2,-0.2 -0.955 50.7 -87.3-161.3 172.9 1.1 -12.3 3.1 59 71 A T E +I 64 0C 45 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.611 37.3 176.3 -88.1 153.1 -1.2 -14.7 5.0 60 72 A H E > -I 63 0C 104 3,-3.1 3,-1.5 -2,-0.2 -2,-0.0 -0.751 60.8 -33.8-164.2 110.1 0.2 -17.6 7.0 61 73 A R T 3 S- 0 0 209 1,-0.3 3,-0.1 -2,-0.2 0, 0.0 0.896 122.3 -39.3 36.8 77.1 -1.9 -20.1 9.1 62 74 A Q T 3 S+ 0 0 190 1,-0.2 -1,-0.3 -23,-0.1 2,-0.2 0.456 130.5 85.1 60.5 2.7 -4.8 -17.9 10.4 63 75 A G E < S-I 60 0C 27 -3,-1.5 -3,-3.1 2,-0.0 2,-0.4 -0.748 71.3-131.5-125.9 172.2 -2.3 -15.1 10.8 64 76 A Y E +I 59 0C 62 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.993 36.8 142.9-129.3 134.7 -0.7 -12.4 8.7 65 77 A L E -I 58 0C 69 -7,-2.3 -7,-2.4 -2,-0.4 2,-0.5 -0.943 50.1 -88.1-158.0 176.4 3.0 -11.5 8.5 66 78 A Y E -I 57 0C 31 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.0 -0.858 44.8-174.4 -96.4 124.9 6.0 -10.5 6.5 67 79 A S E -I 56 0C 26 -11,-2.8 -11,-1.6 -2,-0.5 10,-0.1 -0.928 33.3-144.9-124.2 145.0 7.8 -13.4 4.8 68 80 A P S S+ 0 0 58 0, 0.0 9,-0.7 0, 0.0 2,-0.4 0.613 90.2 63.4 -78.9 -9.2 11.1 -13.6 2.9 69 81 A I E S-J 76 0D 64 7,-0.2 -13,-0.1 -13,-0.1 -2,-0.1 -0.934 82.1-128.8-120.8 139.4 9.4 -16.3 0.8 70 82 A D E >>> -J 75 0D 0 5,-3.0 4,-3.1 -2,-0.4 3,-0.9 -0.725 15.3-150.4 -82.4 118.0 6.3 -16.2 -1.5 71 83 A P T 345S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 -13,-0.0 0.722 94.5 57.2 -63.6 -18.8 4.0 -19.0 -0.5 72 84 A Q T 345S+ 0 0 126 1,-0.1 -2,-0.0 3,-0.1 -40,-0.0 0.738 123.7 19.9 -83.6 -24.3 2.7 -19.3 -4.0 73 85 A T T <45S- 0 0 37 -3,-0.9 -1,-0.1 2,-0.3 -41,-0.0 0.568 90.0-133.7-117.8 -17.0 6.1 -19.9 -5.6 74 86 A N T <5S+ 0 0 131 -4,-3.1 -5,-0.0 1,-0.3 -2,-0.0 0.711 76.3 103.8 64.8 22.6 8.2 -21.1 -2.6 75 87 A K E - 0 0 16 0, 0.0 4,-2.5 0, 0.0 5,-0.2 -0.297 14.2-120.9 -62.1 148.7 13.0 -2.6 -8.7 82 94 A Q H > S+ 0 0 151 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.899 113.6 54.9 -57.2 -43.5 15.3 0.4 -9.2 83 95 A S H > S+ 0 0 20 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.911 110.5 46.8 -56.8 -44.4 12.3 2.6 -10.2 84 96 A F H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.961 114.0 46.2 -60.1 -55.8 10.5 1.6 -7.0 85 97 A H H X S+ 0 0 76 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.898 115.4 47.0 -55.0 -46.9 13.6 2.2 -4.7 86 98 A N H X S+ 0 0 72 -4,-3.0 4,-2.3 2,-0.2 5,-0.2 0.949 113.0 46.4 -62.2 -54.0 14.3 5.6 -6.4 87 99 A L H X S+ 0 0 3 -4,-2.5 4,-2.4 -5,-0.2 5,-0.2 0.919 113.4 49.6 -56.0 -49.8 10.8 7.0 -6.3 88 100 A C H X S+ 0 0 0 -4,-2.6 4,-3.4 -5,-0.2 5,-0.3 0.929 110.7 49.8 -55.6 -48.3 10.3 5.9 -2.7 89 101 A Q H X S+ 0 0 52 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.889 111.2 48.4 -59.3 -44.2 13.6 7.5 -1.6 90 102 A R H X S+ 0 0 128 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.918 115.9 44.1 -63.7 -41.9 12.8 10.8 -3.3 91 103 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.952 115.1 47.6 -67.4 -50.0 9.3 10.9 -1.7 92 104 A A H <>S+ 0 0 0 -4,-3.4 5,-3.0 1,-0.2 -2,-0.2 0.884 114.3 47.6 -58.0 -42.4 10.6 9.9 1.7 93 105 A T H ><5S+ 0 0 69 -4,-2.5 3,-1.8 -5,-0.3 -1,-0.2 0.935 110.4 50.1 -66.9 -47.0 13.4 12.4 1.6 94 106 A A H 3<5S+ 0 0 70 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.871 110.0 53.5 -59.4 -34.7 11.1 15.3 0.4 95 107 A A T 3<5S- 0 0 20 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.432 126.9 -99.0 -80.3 -1.5 8.8 14.4 3.3 96 108 A G T < 5S+ 0 0 53 -3,-1.8 -3,-0.2 -4,-0.1 -2,-0.1 0.777 94.1 109.7 90.3 26.7 11.6 14.6 5.9 97 109 A Y > < + 0 0 64 -5,-3.0 3,-1.1 -6,-0.1 -3,-0.1 -0.593 28.3 157.5-131.7 69.8 12.4 10.9 6.2 98 110 A P T 3 S+ 0 0 74 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 0.703 72.9 54.4 -67.9 -21.5 15.9 10.6 4.6 99 111 A D T 3 S+ 0 0 140 -7,-0.1 2,-0.3 -3,-0.1 -6,-0.0 0.456 74.0 125.5 -93.1 -2.0 16.8 7.4 6.5 100 112 A F < + 0 0 6 -3,-1.1 -8,-0.1 -11,-0.1 -7,-0.1 -0.434 32.5 176.1 -61.7 118.4 13.7 5.5 5.4 101 113 A Q - 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