==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-MAY-12 4AVA . COMPND 2 MOLECULE: LYSINE ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR H.J.LEE,P.T.LANG,S.M.FORTUNE,C.M.SASSETTI,T.ALBER . 327 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15959.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 22.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 25.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 1 1 1 0 1 1 2 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 3 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 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 2 A D 0 0 215 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-108.6 35.2 -2.1 47.4 2 3 A G + 0 0 82 2,-0.0 2,-0.1 0, 0.0 0, 0.0 -0.011 360.0 141.0-101.6 24.1 33.0 0.3 49.3 3 4 A I - 0 0 131 1,-0.1 2,-0.1 0, 0.0 0, 0.0 -0.361 52.2-111.2 -78.0 153.2 35.6 2.9 50.1 4 5 A A - 0 0 100 -2,-0.1 2,-0.3 1,-0.0 -1,-0.1 -0.463 34.1-162.7 -79.1 150.9 35.2 6.6 50.1 5 6 A E - 0 0 144 -2,-0.1 2,-0.1 0, 0.0 -1,-0.0 -0.909 23.3-100.6-134.0 160.1 36.9 8.8 47.5 6 7 A L - 0 0 130 -2,-0.3 4,-0.0 1,-0.1 0, 0.0 -0.448 21.6-159.6 -71.0 146.0 37.8 12.5 46.9 7 8 A T + 0 0 135 -2,-0.1 -1,-0.1 2,-0.1 3,-0.1 0.527 65.0 69.9 -99.4 -6.9 35.6 14.4 44.6 8 9 A G S S- 0 0 24 1,-0.2 28,-0.1 28,-0.1 25,-0.1 0.183 97.1 -37.3 -95.1-151.4 37.9 17.2 43.6 9 10 A A - 0 0 7 26,-0.9 2,-0.4 23,-0.9 -1,-0.2 -0.381 55.8-132.9 -68.7 144.2 41.1 17.6 41.6 10 11 A R >> - 0 0 95 1,-0.1 4,-2.1 -3,-0.1 3,-0.9 -0.881 4.9-140.8-101.5 134.4 43.6 14.8 41.7 11 12 A V H 3> S+ 0 0 51 -2,-0.4 4,-3.4 1,-0.3 5,-0.2 0.865 103.2 62.6 -56.6 -37.5 47.3 15.6 42.3 12 13 A E H 34 S+ 0 0 168 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.813 106.7 42.9 -58.5 -34.4 48.1 12.8 39.8 13 14 A D H X> S+ 0 0 96 -3,-0.9 3,-0.9 2,-0.2 4,-0.6 0.909 115.4 47.7 -78.5 -46.0 46.3 14.7 37.0 14 15 A L H >< S+ 0 0 1 -4,-2.1 3,-1.7 1,-0.2 6,-0.3 0.926 108.1 55.8 -58.3 -47.0 47.7 18.1 38.0 15 16 A A T 3< S+ 0 0 35 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.651 94.7 68.9 -63.3 -16.8 51.3 16.7 38.2 16 17 A G T <4 S+ 0 0 48 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.801 80.5 93.0 -70.7 -27.5 50.9 15.5 34.6 17 18 A M S XX S- 0 0 24 -3,-1.7 3,-1.3 -4,-0.6 4,-0.8 -0.427 81.6-131.1 -71.8 137.7 50.9 19.1 33.4 18 19 A D G >4 S+ 0 0 120 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.863 102.7 63.8 -62.2 -36.6 54.4 20.3 32.4 19 20 A V G 34 S+ 0 0 18 1,-0.2 -1,-0.3 3,-0.0 110,-0.1 0.793 111.6 37.2 -56.8 -30.9 54.1 23.5 34.4 20 21 A F G X4 S+ 0 0 0 -3,-1.3 3,-2.2 -6,-0.3 -1,-0.2 0.490 83.5 123.2 -98.1 -5.1 53.8 21.5 37.7 21 22 A Q T << S+ 0 0 96 -3,-0.9 -5,-0.1 -4,-0.8 -6,-0.0 -0.367 83.9 10.6 -65.9 129.6 56.3 18.7 36.9 22 23 A G T 3 S+ 0 0 87 1,-0.3 -1,-0.3 -7,-0.1 3,-0.1 0.351 93.6 138.8 88.4 -6.4 59.0 18.6 39.6 23 24 A C < - 0 0 16 -3,-2.2 -1,-0.3 1,-0.1 5,-0.1 -0.316 68.9 -78.9 -67.7 155.2 57.2 21.0 41.9 24 25 A P >> - 0 0 43 0, 0.0 4,-1.2 0, 0.0 3,-0.7 -0.277 39.8-129.9 -56.2 137.7 57.2 20.3 45.7 25 26 A A H 3> S+ 0 0 67 1,-0.3 4,-2.2 2,-0.2 3,-0.3 0.855 105.0 57.2 -61.0 -36.9 54.5 17.7 46.5 26 27 A E H 3> S+ 0 0 136 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.828 101.9 57.0 -68.6 -29.0 53.0 19.7 49.2 27 28 A G H <> S+ 0 0 14 -3,-0.7 4,-2.1 1,-0.2 -1,-0.3 0.869 108.5 45.7 -65.9 -38.7 52.3 22.6 46.8 28 29 A L H X S+ 0 0 8 -4,-1.2 4,-3.5 -3,-0.3 5,-0.2 0.869 107.8 56.6 -75.0 -35.6 50.4 20.3 44.5 29 30 A V H X S+ 0 0 89 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.963 111.3 45.1 -57.3 -49.1 48.4 18.8 47.5 30 31 A S H X S+ 0 0 65 -4,-2.2 4,-0.6 1,-0.2 -2,-0.2 0.930 115.3 46.6 -57.9 -49.1 47.3 22.3 48.4 31 32 A L H >X S+ 0 0 2 -4,-2.1 3,-1.9 1,-0.2 4,-1.0 0.932 107.2 56.2 -62.7 -44.0 46.5 23.2 44.7 32 33 A A H 3< S+ 0 0 8 -4,-3.5 -23,-0.9 1,-0.3 3,-0.4 0.863 105.7 53.3 -57.4 -33.7 44.6 20.0 44.1 33 34 A A H 3< S+ 0 0 83 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.669 111.2 48.6 -71.3 -23.2 42.4 21.0 47.0 34 35 A S H << S+ 0 0 50 -3,-1.9 79,-0.5 -4,-0.6 2,-0.3 0.547 101.8 59.7 -97.0 -12.0 41.7 24.4 45.4 35 36 A V < - 0 0 4 -4,-1.0 -26,-0.9 -3,-0.4 77,-0.2 -0.824 65.7-136.1-121.0 160.8 40.8 23.7 41.8 36 37 A Q E -A 111 0A 99 75,-3.1 75,-2.5 -2,-0.3 -28,-0.1 -0.905 23.3-109.6-118.3 144.0 38.0 21.8 40.1 37 38 A P E -A 110 0A 67 0, 0.0 2,-0.4 0, 0.0 73,-0.2 -0.388 31.6-164.2 -61.6 140.8 38.1 19.4 37.1 38 39 A L E +A 109 0A 42 71,-2.1 71,-1.8 -2,-0.1 2,-0.4 -0.996 11.4 179.6-131.3 129.2 36.5 20.7 33.8 39 40 A R E -A 108 0A 218 -2,-0.4 2,-0.4 69,-0.2 69,-0.2 -0.988 12.0-179.9-127.4 121.5 35.5 18.6 30.8 40 41 A A E -A 107 0A 9 67,-3.2 67,-2.4 -2,-0.4 3,-0.1 -0.949 21.8-135.6-125.2 142.4 33.9 20.3 27.8 41 42 A A > - 0 0 59 -2,-0.4 3,-0.7 65,-0.2 64,-0.2 -0.194 47.0 -79.9 -74.1 178.7 32.6 19.2 24.5 42 43 A A T 3 S+ 0 0 56 1,-0.2 62,-0.2 62,-0.1 -1,-0.2 -0.463 113.2 25.8 -77.1 157.3 33.5 21.1 21.3 43 44 A G T 3 S+ 0 0 60 60,-1.4 2,-0.4 1,-0.2 -1,-0.2 0.686 89.5 140.3 66.4 20.6 31.6 24.3 20.5 44 45 A Q < - 0 0 79 -3,-0.7 59,-2.6 61,-0.2 2,-0.7 -0.806 53.6-128.3-102.9 135.4 30.8 24.9 24.1 45 46 A V E +D 102 0B 50 -2,-0.4 57,-0.2 57,-0.2 3,-0.1 -0.716 30.5 170.8 -85.6 114.6 30.8 28.3 25.7 46 47 A L E + 0 0 33 55,-2.7 2,-0.3 -2,-0.7 -1,-0.2 0.845 67.7 17.5 -85.1 -44.9 32.9 28.2 28.9 47 48 A L E -D 101 0B 12 54,-1.3 54,-2.5 6,-0.0 2,-0.5 -0.962 69.8-146.0-133.3 146.8 33.1 31.9 29.7 48 49 A R > - 0 0 145 -2,-0.3 3,-1.8 52,-0.3 49,-0.3 -0.955 24.5-110.9-120.2 130.5 30.9 34.8 28.5 49 50 A Q T 3 S+ 0 0 63 -2,-0.5 49,-0.2 1,-0.2 51,-0.1 -0.265 101.6 20.6 -53.7 138.0 32.1 38.3 27.9 50 51 A G T 3 S+ 0 0 50 47,-2.9 -1,-0.2 1,-0.3 48,-0.1 0.217 95.5 120.8 90.0 -16.7 30.7 40.9 30.4 51 52 A E S < S- 0 0 60 -3,-1.8 46,-3.1 1,-0.1 -1,-0.3 -0.286 78.6 -80.1 -77.0 166.6 29.9 38.3 33.1 52 53 A P B -G 96 0C 94 0, 0.0 2,-1.4 0, 0.0 3,-0.1 -0.442 42.5-131.1 -62.2 137.7 31.4 38.3 36.6 53 54 A A + 0 0 3 42,-0.5 41,-0.2 37,-0.2 42,-0.1 -0.680 46.5 152.9-100.0 98.8 34.8 36.8 36.4 54 55 A V + 0 0 102 -2,-1.4 2,-0.3 59,-0.1 60,-0.2 0.475 59.7 19.7-100.6 -4.5 34.7 34.4 39.2 55 56 A S - 0 0 24 -3,-0.1 2,-0.3 58,-0.1 58,-0.2 -0.967 60.0-134.3-157.5 161.0 37.2 31.9 38.0 56 57 A F E -B 112 0A 2 56,-2.2 56,-1.5 -2,-0.3 2,-0.4 -0.853 22.2-136.0-116.9 160.3 40.2 31.2 35.7 57 58 A L E -BC 111 86A 3 29,-2.5 29,-2.7 -2,-0.3 2,-0.5 -0.974 8.4-162.1-116.5 133.5 40.6 28.2 33.4 58 59 A L E -BC 110 85A 4 52,-2.7 52,-2.3 -2,-0.4 2,-0.6 -0.985 21.4-139.4-110.3 121.0 43.9 26.2 33.0 59 60 A I E +B 109 0A 0 25,-2.3 24,-3.8 -2,-0.5 50,-0.3 -0.692 28.0 172.3 -89.5 116.7 43.7 24.1 29.9 60 61 A S E S- 0 0 42 48,-1.9 2,-0.3 -2,-0.6 49,-0.2 0.788 74.5 -1.4 -83.5 -37.7 45.2 20.6 30.0 61 62 A S E S+B 108 0A 52 47,-2.1 47,-2.5 21,-0.1 -1,-0.3 -0.992 106.0 29.3-153.4 155.0 44.0 19.6 26.5 62 63 A G - 0 0 9 -2,-0.3 2,-0.3 45,-0.2 45,-0.2 -0.324 68.3-108.9 87.4-176.9 42.0 21.1 23.6 63 64 A S - 0 0 10 42,-0.2 41,-2.7 43,-0.2 42,-0.7 -0.966 20.4-152.8-151.4 163.9 41.7 24.7 22.6 64 65 A A E -EF 80 103B 0 16,-2.2 16,-3.0 39,-0.3 2,-0.4 -0.984 21.4-115.6-143.7 152.5 39.3 27.6 22.5 65 66 A E E -EF 79 102B 87 37,-3.0 37,-2.1 -2,-0.3 2,-0.6 -0.722 23.8-158.1 -79.0 132.5 38.4 30.8 20.7 66 67 A V E -EF 78 101B 9 12,-2.1 12,-3.1 -2,-0.4 2,-0.5 -0.961 18.4-179.6-113.9 112.1 38.8 33.9 22.8 67 68 A S E -EF 77 100B 21 33,-2.5 33,-2.5 -2,-0.6 2,-0.5 -0.940 15.7-170.1-124.8 112.9 36.6 36.7 21.3 68 69 A H E -E 76 0B 23 8,-3.0 8,-3.5 -2,-0.5 2,-0.6 -0.892 11.2-157.9 -97.3 127.0 36.2 40.2 22.6 69 70 A V E -E 75 0B 65 -2,-0.5 6,-0.2 6,-0.2 5,-0.1 -0.911 10.9-144.0-106.7 116.8 33.4 42.2 20.9 70 71 A G > - 0 0 10 4,-2.8 3,-2.2 -2,-0.6 0, 0.0 -0.227 29.2-106.2 -71.5 165.4 33.7 45.9 21.1 71 72 A D T 3 S+ 0 0 184 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.620 125.0 60.9 -63.3 -14.4 30.7 48.3 21.5 72 73 A D T 3 S- 0 0 94 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.359 119.8-115.0 -91.6 2.6 31.4 49.1 17.8 73 74 A G < + 0 0 51 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.338 69.7 141.9 80.8 -6.8 30.7 45.4 17.1 74 75 A V - 0 0 76 -5,-0.1 -4,-2.8 1,-0.1 2,-0.5 -0.530 44.3-142.2 -70.3 127.1 34.3 44.8 16.0 75 76 A A E -E 69 0B 49 -2,-0.3 2,-0.5 -6,-0.2 -6,-0.2 -0.795 11.2-162.1 -98.3 132.1 35.4 41.4 17.2 76 77 A I E -E 68 0B 17 -8,-3.5 -8,-3.0 -2,-0.5 2,-0.5 -0.959 17.8-165.6-118.7 116.1 39.0 40.9 18.4 77 78 A I E +E 67 0B 85 -2,-0.5 -10,-0.2 -10,-0.2 2,-0.2 -0.904 18.1 163.8-124.4 125.5 39.9 37.3 18.5 78 79 A A E -E 66 0B 12 -12,-3.1 -12,-2.1 -2,-0.5 2,-0.4 -0.517 29.6-119.7-118.6-174.3 42.7 35.2 20.0 79 80 A R E -E 65 0B 144 -14,-0.2 2,-0.5 58,-0.2 -14,-0.2 -1.000 9.9-147.3-136.9 136.1 43.2 31.5 20.7 80 81 A A E -E 64 0B 3 -16,-3.0 -16,-2.2 -2,-0.4 6,-0.1 -0.909 22.7-168.7-106.8 132.1 43.8 29.6 24.0 81 82 A L > - 0 0 54 -2,-0.5 3,-2.3 -18,-0.2 -22,-0.3 -0.676 35.6 -67.7-121.2 162.0 46.0 26.5 23.8 82 83 A P T 3 S+ 0 0 75 0, 0.0 -22,-0.2 0, 0.0 -1,-0.1 -0.276 122.9 24.2 -54.2 133.4 46.8 23.6 26.1 83 84 A G T 3 S+ 0 0 24 -24,-3.8 2,-0.2 1,-0.4 -23,-0.1 0.273 99.0 125.1 94.4 -7.2 48.8 24.8 29.1 84 85 A M < - 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0 0 40 -5,-2.1 -42,-0.5 -6,-0.1 -1,-0.2 -0.731 64.1 -78.2-118.4 163.8 36.2 43.3 36.3 96 97 A P B -G 52 0C 86 0, 0.0 -45,-0.1 0, 0.0 -1,-0.1 -0.320 65.0 -83.6 -60.4 148.7 33.7 41.9 33.9 97 98 A R - 0 0 14 -46,-3.1 -47,-2.9 -49,-0.3 -46,-0.1 -0.257 36.1-145.9 -54.5 136.4 35.0 39.1 31.7 98 99 A S S S+ 0 0 36 -49,-0.2 2,-0.3 1,-0.1 -29,-0.2 0.731 70.9 14.0 -79.0 -24.8 36.8 40.6 28.7 99 100 A A S S- 0 0 4 -31,-0.2 2,-0.5 -51,-0.1 -31,-0.3 -0.985 72.8-107.7-151.9 154.0 35.9 38.0 26.1 100 101 A T E - F 0 67B 41 -33,-2.5 -33,-2.5 -2,-0.3 2,-0.6 -0.769 33.5-152.5 -84.3 130.1 33.6 35.0 25.3 101 102 A V E +DF 47 66B 4 -54,-2.5 -55,-2.7 -2,-0.5 -54,-1.3 -0.918 17.5 176.3-113.3 112.2 35.6 31.8 25.4 102 103 A T E -DF 45 65B 42 -37,-2.1 -37,-3.0 -2,-0.6 -57,-0.2 -0.959 31.8-117.2-120.2 128.5 34.3 28.9 23.2 103 104 A T E - F 0 64B 4 -59,-2.6 -60,-1.4 -2,-0.4 -39,-0.3 -0.348 15.5-163.1 -64.1 138.6 35.9 25.6 22.8 104 105 A I S S- 0 0 91 -41,-2.7 -40,-0.2 1,-0.2 -1,-0.1 0.368 78.6 -3.9 -96.6 -0.8 37.1 24.8 19.2 105 106 A E S S- 0 0 86 -42,-0.7 -42,-0.2 -64,-0.2 -1,-0.2 -0.941 111.1 -42.3-178.4 167.0 37.4 21.1 20.0 106 107 A P - 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