==== 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 TRANSFERASE 29-JAN-04 1S7K . COMPND 2 MOLECULE: ACETYL TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR M.W.VETTING,L.P.DE CARVALHO,S.L.RODERICK,J.S.BLANCHARD . 158 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9264.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 77.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 30.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.9 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 . 13 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 26.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.9 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 1 1 0 0 1 0 0 1 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 . 0 0 1 0 1 0 2 2 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 0 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 3 A E 0 0 106 0, 0.0 12,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 117.0 8.2 22.9 1.3 2 4 A I E -A 12 0A 80 10,-0.2 10,-0.2 48,-0.0 48,-0.0 -0.974 360.0-159.5-125.8 142.8 10.3 24.1 4.2 3 5 A I E -A 11 0A 1 8,-2.7 8,-2.4 -2,-0.4 94,-0.1 -0.962 22.8-134.2-120.8 110.9 9.4 23.8 7.9 4 6 A P E +A 10 0A 101 0, 0.0 6,-0.2 0, 0.0 3,-0.1 -0.337 31.3 167.9 -63.7 146.7 11.5 26.3 9.9 5 7 A V - 0 0 31 4,-1.6 2,-0.3 1,-0.5 5,-0.2 0.610 56.4 -40.8-121.9 -52.2 12.9 24.8 13.1 6 8 A S S S- 0 0 49 3,-2.7 -1,-0.5 1,-0.0 87,-0.0 -0.861 71.4 -65.6-162.6-174.1 15.5 27.3 14.4 7 9 A T S S+ 0 0 150 -2,-0.3 -1,-0.0 1,-0.2 3,-0.0 0.898 135.1 18.8 -54.7 -40.6 18.2 29.8 13.6 8 10 A T S S+ 0 0 64 47,-0.1 47,-3.1 46,-0.1 48,-0.4 0.533 118.6 69.3-108.8 -11.7 20.4 26.9 12.4 9 11 A L E + B 0 54A 6 45,-0.2 -3,-2.7 46,-0.1 -4,-1.6 -0.869 47.3 157.3-113.9 147.4 17.9 24.1 11.8 10 12 A E E -AB 4 53A 61 43,-1.7 43,-2.6 -2,-0.4 2,-0.4 -0.977 31.0-131.5-158.3 153.9 15.2 23.6 9.2 11 13 A L E -AB 3 52A 0 -8,-2.4 -8,-2.7 -2,-0.3 2,-0.4 -0.915 19.5-166.3-106.4 136.9 13.3 20.6 7.6 12 14 A R E -AB 2 51A 54 39,-2.5 39,-3.3 -2,-0.4 -10,-0.2 -0.993 30.2-109.7-122.9 131.3 13.0 20.4 3.8 13 15 A A E - B 0 50A 18 -12,-2.4 37,-0.3 -2,-0.4 26,-0.0 -0.385 49.6 -95.8 -56.1 132.3 10.6 18.0 2.1 14 16 A A - 0 0 9 35,-3.0 2,-0.3 24,-0.1 -1,-0.1 -0.274 53.1-172.6 -51.5 129.3 12.6 15.3 0.5 15 17 A D >> - 0 0 77 1,-0.1 3,-2.5 -3,-0.1 4,-0.6 -0.914 41.2-111.1-127.9 157.7 13.1 16.1 -3.2 16 18 A E G >4 S+ 0 0 63 -2,-0.3 3,-1.4 1,-0.3 -1,-0.1 0.890 117.8 65.1 -52.8 -35.7 14.6 14.4 -6.2 17 19 A S G 34 S+ 0 0 85 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.713 96.6 56.1 -61.0 -18.7 17.4 17.0 -5.9 18 20 A H G <> S+ 0 0 28 -3,-2.5 4,-2.7 1,-0.2 3,-0.5 0.662 79.6 91.0 -86.2 -18.7 18.5 15.6 -2.5 19 21 A V H S+ 0 0 76 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.888 115.9 37.7 -50.7 -48.4 22.7 12.5 -4.5 21 23 A A H > S+ 0 0 53 -3,-0.5 4,-1.7 -4,-0.3 -2,-0.2 0.870 115.5 50.1 -74.4 -41.2 23.6 13.9 -1.1 22 24 A L H X S+ 0 0 5 -4,-2.7 4,-3.8 1,-0.2 3,-0.3 0.944 106.5 56.8 -64.2 -42.3 21.4 11.7 1.0 23 25 A H H X S+ 0 0 88 -4,-2.7 4,-2.8 -5,-0.3 5,-0.2 0.892 104.6 54.2 -54.9 -40.8 22.7 8.6 -0.7 24 26 A Q H X S+ 0 0 135 -4,-1.1 4,-2.3 -5,-0.3 -1,-0.3 0.905 112.5 41.5 -59.2 -44.1 26.1 9.7 0.3 25 27 A L H X S+ 0 0 22 -4,-1.7 4,-2.6 -3,-0.3 -2,-0.2 0.888 112.3 55.1 -71.1 -41.0 25.0 9.9 4.0 26 28 A V H < S+ 0 0 63 -4,-3.8 3,-0.4 1,-0.2 -2,-0.2 0.981 113.6 42.1 -51.6 -57.8 23.1 6.6 3.7 27 29 A L H < S+ 0 0 124 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.899 113.9 52.1 -54.4 -47.4 26.2 5.0 2.5 28 30 A K H < 0 0 102 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.809 360.0 360.0 -61.7 -34.7 28.3 6.8 5.1 29 31 A N < 0 0 80 -4,-2.6 -1,-0.3 -3,-0.4 -2,-0.2 0.166 360.0 360.0-106.4 360.0 26.0 5.7 8.0 30 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 31 51 A T > 0 0 51 0, 0.0 4,-3.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -43.5 18.2 5.4 -2.8 32 52 A R H > + 0 0 119 2,-0.2 4,-4.0 1,-0.2 5,-0.3 0.921 360.0 47.5 -60.9 -48.4 16.6 7.3 -5.7 33 53 A K H > S+ 0 0 180 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.930 113.2 49.5 -58.5 -45.8 13.9 4.7 -5.9 34 54 A H H > S+ 0 0 118 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.962 116.4 41.9 -59.5 -50.7 13.5 4.9 -2.2 35 55 A V H X S+ 0 0 1 -4,-3.7 4,-2.5 2,-0.2 -2,-0.2 0.940 113.4 50.3 -62.9 -48.6 13.3 8.7 -2.3 36 56 A Q H X S+ 0 0 82 -4,-4.0 4,-1.7 1,-0.2 -1,-0.2 0.928 112.1 50.7 -56.4 -41.8 11.1 8.8 -5.4 37 57 A G H X S+ 0 0 32 -4,-2.9 4,-1.6 -5,-0.3 -1,-0.2 0.917 110.7 47.2 -62.9 -39.8 8.8 6.4 -3.7 38 58 A N H X S+ 0 0 36 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.876 106.2 58.6 -72.5 -29.6 8.6 8.4 -0.5 39 59 A I H X S+ 0 0 29 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.904 104.0 52.8 -61.8 -43.3 8.0 11.7 -2.4 40 60 A L H X S+ 0 0 84 -4,-1.7 4,-1.2 1,-0.2 -1,-0.2 0.936 111.1 44.8 -61.1 -47.5 4.8 10.1 -3.9 41 61 A L H X>S+ 0 0 62 -4,-1.6 5,-2.7 1,-0.2 4,-1.3 0.892 111.0 56.1 -61.8 -37.9 3.5 9.1 -0.5 42 62 A H H ><5S+ 0 0 12 -4,-2.3 3,-0.5 1,-0.2 -2,-0.2 0.925 106.4 48.7 -62.1 -41.7 4.4 12.6 0.8 43 63 A Q H 3<5S+ 0 0 138 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.756 114.7 46.3 -71.3 -22.7 2.3 14.3 -2.0 44 64 A R H 3<5S- 0 0 135 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.609 111.2-118.0 -96.0 -8.6 -0.6 12.1 -1.1 45 65 A G T <<5S+ 0 0 20 -4,-1.3 -3,-0.2 -3,-0.5 3,-0.1 0.777 81.7 120.2 77.3 27.0 -0.4 12.5 2.6 46 66 A Y S S-BC 9 57A 21 3,-2.3 3,-1.9 -2,-0.4 -45,-0.2 -0.983 81.1 -17.9-121.3 119.0 21.8 22.1 10.2 55 75 A Q T 3 S- 0 0 147 -47,-3.1 -1,-0.2 -2,-0.5 -46,-0.1 0.878 129.5 -55.9 49.5 40.6 23.6 25.3 9.1 56 76 A N T 3 S+ 0 0 127 -48,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.439 113.6 116.2 72.6 7.1 22.7 24.2 5.5 57 77 A E E < S-C 54 0A 119 -3,-1.9 -3,-2.3 1,-0.0 2,-0.2 -0.850 74.3-111.5-103.6 136.8 24.4 20.8 5.7 58 78 A M E +C 53 0A 20 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.486 42.4 169.4 -68.4 130.6 22.2 17.7 5.4 59 79 A A E - 0 0 0 -7,-3.5 22,-3.1 1,-0.3 2,-0.3 0.610 49.7 -50.1-119.7 -16.1 22.2 16.0 8.8 60 80 A G E -CD 52 80A 0 -8,-1.1 -8,-2.3 20,-0.3 2,-0.4 -0.986 56.5 -76.8 170.0-167.8 19.6 13.2 8.8 61 81 A V E -CD 51 79A 5 18,-2.9 18,-2.1 -2,-0.3 2,-0.4 -0.951 22.1-167.7-125.2 139.1 16.0 12.3 8.0 62 82 A L E +CD 50 78A 0 -12,-2.7 -12,-2.6 -2,-0.4 2,-0.3 -0.987 25.5 176.4-125.8 117.2 12.7 12.9 10.0 63 83 A S E -CD 49 77A 16 14,-3.0 14,-2.8 -2,-0.4 2,-0.7 -0.848 43.5-142.7-124.8 157.8 9.7 10.9 8.7 64 84 A F E -CD 48 76A 0 -16,-2.1 -16,-2.0 -2,-0.3 12,-0.3 -0.977 29.5-159.6-109.6 100.3 6.1 10.1 9.3 65 85 A N E - 0 0 103 10,-2.1 2,-0.3 -2,-0.7 -1,-0.1 0.846 69.8 -7.0 -54.7 -37.1 6.6 6.4 8.3 66 86 A A E - D 0 75A 43 9,-0.7 9,-2.1 -3,-0.1 2,-0.3 -0.977 65.2-149.7-153.5 159.6 2.9 6.1 7.7 67 87 A I E - D 0 74A 21 -21,-1.6 7,-0.2 -2,-0.3 3,-0.1 -0.967 9.9-150.4-134.7 146.5 -0.3 8.3 8.2 68 88 A E E >> - D 0 73A 69 5,-2.5 5,-1.4 -2,-0.3 4,-1.3 -0.913 18.0-165.7-113.4 88.7 -3.8 7.2 8.9 69 89 A P T >45S+ 0 0 72 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.885 83.5 49.4 -47.6 -44.4 -5.6 10.2 7.2 70 90 A I T 345S+ 0 0 165 1,-0.3 -2,-0.0 -3,-0.1 0, 0.0 0.894 117.0 39.6 -66.9 -39.2 -9.0 9.4 8.8 71 91 A N T 345S- 0 0 105 -3,-0.3 -1,-0.3 2,-0.1 37,-0.2 0.515 103.5-131.9 -84.1 -4.7 -7.6 9.1 12.3 72 92 A K T <<5 + 0 0 85 -4,-1.3 36,-2.5 -3,-0.6 37,-2.2 0.939 59.2 144.5 50.3 48.8 -5.2 12.1 11.7 73 93 A A E < -De 68 109A 2 -5,-1.4 -5,-2.5 34,-0.2 2,-0.4 -0.961 31.5-171.6-120.7 140.4 -2.4 9.9 13.1 74 94 A A E -De 67 110A 0 35,-2.6 37,-3.4 -2,-0.4 2,-0.5 -0.983 16.5-143.1-131.8 141.1 1.2 9.6 12.1 75 95 A Y E -De 66 111A 51 -9,-2.1 -10,-2.1 -2,-0.4 -9,-0.7 -0.886 26.4-136.5-103.0 128.8 4.0 7.2 13.2 76 96 A I E +D 64 0A 13 35,-3.5 37,-0.4 -2,-0.5 2,-0.3 -0.662 25.7 172.9 -89.5 139.5 7.4 8.9 13.5 77 97 A G E +D 63 0A 13 -14,-2.8 -14,-3.0 -2,-0.3 2,-0.3 -0.957 9.2 164.9-137.3 150.6 10.7 7.6 12.3 78 98 A Y E -D 62 0A 62 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.2 -0.985 16.8-172.2-160.4 160.8 14.1 9.3 12.2 79 99 A W E -D 61 0A 86 -18,-2.1 -18,-2.9 -2,-0.3 2,-0.4 -0.927 10.2-155.2-158.8 142.2 17.9 8.9 11.8 80 100 A L E -D 60 0A 19 -2,-0.3 -20,-0.3 -20,-0.2 5,-0.1 -0.922 26.8-107.1-121.2 141.9 20.8 11.3 12.2 81 101 A D > - 0 0 2 -22,-3.1 3,-2.2 -2,-0.4 4,-0.1 -0.274 43.9-104.3 -58.9 151.7 24.3 11.2 10.7 82 102 A E G > S+ 0 0 120 1,-0.3 3,-0.8 2,-0.2 -1,-0.1 0.767 118.4 53.7 -53.1 -33.6 26.9 10.3 13.3 83 103 A S G 3 S+ 0 0 68 1,-0.2 -1,-0.3 -24,-0.0 -2,-0.1 0.461 107.0 54.2 -85.2 2.3 28.3 13.8 13.8 84 104 A F G < S+ 0 0 17 -3,-2.2 3,-0.5 -25,-0.2 5,-0.3 0.105 82.1 113.8-122.2 23.1 24.8 15.2 14.6 85 105 A Q < + 0 0 113 -3,-0.8 -4,-0.0 1,-0.2 -3,-0.0 -0.590 69.7 20.5 -94.6 158.4 23.6 12.9 17.4 86 106 A G S S+ 0 0 87 -2,-0.2 -1,-0.2 1,-0.1 -3,-0.0 0.620 92.8 104.0 63.9 15.4 23.0 13.7 21.0 87 107 A Q S S- 0 0 111 -3,-0.5 -1,-0.1 0, 0.0 -2,-0.1 0.171 92.9-110.5-111.1 16.1 22.5 17.4 20.3 88 108 A G S > S+ 0 0 33 1,-0.1 4,-3.0 3,-0.1 5,-0.3 0.612 79.5 128.5 68.1 11.0 18.7 17.8 20.5 89 109 A I H > S+ 0 0 8 -5,-0.3 4,-2.4 2,-0.2 5,-0.2 0.904 77.6 43.5 -65.6 -42.2 18.5 18.4 16.7 90 110 A M H > S+ 0 0 6 2,-0.2 4,-3.3 3,-0.2 5,-0.3 0.941 113.8 52.1 -69.0 -43.1 15.8 15.6 16.4 91 111 A S H > S+ 0 0 24 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.922 115.3 39.6 -60.0 -43.6 14.0 17.0 19.5 92 112 A Q H X S+ 0 0 104 -4,-3.0 4,-2.0 2,-0.2 -1,-0.2 0.930 117.2 50.0 -73.6 -39.5 13.8 20.5 18.2 93 113 A S H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.3 -2,-0.2 0.921 111.9 48.0 -64.6 -40.8 13.0 19.4 14.7 94 114 A L H X S+ 0 0 0 -4,-3.3 4,-2.7 2,-0.2 5,-0.3 0.934 109.4 51.0 -69.0 -39.2 10.2 17.1 15.9 95 115 A Q H X S+ 0 0 70 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.916 113.4 47.4 -64.8 -35.5 8.6 19.7 18.1 96 116 A A H X S+ 0 0 22 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.918 112.0 49.1 -68.7 -42.4 8.6 22.1 15.2 97 117 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.898 112.4 47.6 -63.9 -44.7 7.2 19.5 12.8 98 118 A M H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.909 112.3 49.2 -64.4 -41.1 4.4 18.5 15.2 99 119 A T H X S+ 0 0 60 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.923 110.3 52.2 -63.4 -43.9 3.4 22.2 15.9 100 120 A H H X S+ 0 0 58 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.887 112.1 44.8 -60.9 -42.2 3.4 22.8 12.2 101 121 A Y H X S+ 0 0 0 -4,-2.0 4,-3.6 2,-0.2 6,-0.9 0.854 109.1 55.0 -74.4 -32.2 1.1 19.9 11.5 102 122 A A H < S+ 0 0 27 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.908 110.7 47.8 -63.1 -40.2 -1.2 20.8 14.4 103 123 A R H < S+ 0 0 211 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.938 112.5 46.8 -66.6 -40.3 -1.5 24.2 12.7 104 124 A R H < S- 0 0 114 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.937 102.8-147.8 -61.5 -46.7 -2.2 22.6 9.3 105 125 A G < + 0 0 27 -4,-3.6 -3,-0.2 2,-0.3 -4,-0.1 0.378 67.4 107.3 98.3 -7.1 -4.6 20.4 11.2 106 126 A D S S+ 0 0 64 -5,-0.4 2,-0.4 1,-0.2 -4,-0.1 0.563 81.0 43.8 -82.6 -6.6 -4.4 17.2 9.2 107 127 A I + 0 0 3 -6,-0.9 -2,-0.3 -9,-0.1 -34,-0.2 -0.988 51.0 153.8-138.0 132.0 -2.5 15.4 12.0 108 128 A R + 0 0 86 -36,-2.5 48,-2.2 -2,-0.4 2,-0.5 0.514 64.7 62.1-126.4 -20.3 -3.3 15.5 15.7 109 129 A R E -eF 73 155A 59 -37,-2.2 -35,-2.6 46,-0.2 2,-0.5 -0.942 63.3-170.1-118.2 115.2 -1.9 12.2 17.1 110 130 A F E -eF 74 154A 0 44,-3.2 44,-2.2 -2,-0.5 2,-0.4 -0.928 8.8-164.5-110.4 126.8 1.8 11.7 16.8 111 131 A V E -eF 75 153A 0 -37,-3.4 -35,-3.5 -2,-0.5 2,-0.5 -0.915 15.9-168.8-120.3 136.8 3.2 8.3 17.6 112 132 A I E - 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