==== 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 07-JUL-11 3SS6 . COMPND 2 MOLECULE: ACETYL-COA ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR S.M.ANDERSON,Z.WAWRZAK,O.ONOPRIYENKO,S.N.PETERSON,W.F.ANDERS . 786 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27714.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 557 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 128 16.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 3 0.4 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 . 46 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 220 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.3 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 2 3 2 1 2 0 0 2 4 0 0 4 0 0 0 2 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 2 4 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 . 6 4 4 2 0 0 2 2 4 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 S 0 0 171 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 20.9 60.6 -3.4 0.6 2 -1 A N - 0 0 130 395,-0.1 2,-0.3 1,-0.1 0, 0.0 -0.482 360.0-135.2 -58.5 134.7 58.2 -5.1 2.9 3 0 A A - 0 0 60 -2,-0.1 2,-0.5 104,-0.1 -1,-0.1 -0.737 19.1-159.4-105.4 147.5 55.5 -6.5 0.6 4 1 A M - 0 0 70 -2,-0.3 103,-0.2 104,-0.0 102,-0.2 -0.956 26.7-137.1-121.3 110.0 51.7 -6.6 0.9 5 2 A H - 0 0 55 101,-1.9 2,-0.2 -2,-0.5 103,-0.1 -0.338 14.5-115.7 -71.7 142.2 50.3 -9.3 -1.3 6 3 A N - 0 0 97 -2,-0.1 257,-2.2 1,-0.0 2,-0.5 -0.528 30.9-132.6 -68.9 144.6 47.2 -8.7 -3.5 7 4 A V E -AB 262 277A 4 270,-0.5 270,-2.5 255,-0.2 2,-0.3 -0.884 26.0-178.0-106.0 124.1 44.3 -10.9 -2.4 8 5 A V E -AB 261 276A 0 253,-2.7 253,-2.3 -2,-0.5 2,-0.5 -0.824 20.7-135.1-119.6 161.3 42.4 -12.9 -5.0 9 6 A I E +AB 260 275A 0 266,-2.9 265,-2.6 -2,-0.3 266,-1.3 -0.967 18.8 177.7-119.7 122.2 39.4 -15.2 -4.7 10 7 A T E + 0 0 16 249,-2.5 2,-0.3 -2,-0.5 250,-0.1 0.580 68.8 18.5-105.1 -11.9 39.4 -18.5 -6.6 11 8 A A E -A 259 0A 3 248,-0.9 248,-2.0 33,-0.1 2,-0.3 -0.977 54.1-176.0-154.2 150.8 36.1 -20.0 -5.5 12 9 A A E +A 258 0A 1 -2,-0.3 2,-0.3 246,-0.2 246,-0.2 -0.837 21.5 153.4-153.7 108.3 32.9 -18.7 -4.0 13 10 A V E -A 257 0A 0 244,-2.5 244,-2.7 -2,-0.3 2,-0.3 -0.893 15.8-173.5-137.4 163.5 30.0 -21.1 -3.1 14 11 A R E -Ac 256 201A 0 186,-2.5 188,-2.8 -2,-0.3 242,-0.3 -0.988 28.0-110.0-151.9 158.2 27.1 -21.3 -0.7 15 12 A S - 0 0 1 240,-2.6 2,-0.1 -2,-0.3 201,-0.1 -0.438 51.1 -94.3 -71.9 164.3 24.4 -23.6 0.6 16 13 A P - 0 0 0 0, 0.0 2,-0.6 0, 0.0 239,-0.3 -0.459 49.8-104.2 -66.5 162.0 20.9 -22.8 -0.4 17 14 A I - 0 0 0 237,-0.1 202,-2.2 -2,-0.1 203,-0.6 -0.831 35.4-150.1 -97.5 120.4 19.2 -20.7 2.3 18 15 A G E -D 253 0A 0 235,-2.5 235,-1.8 -2,-0.6 2,-0.2 -0.501 12.1-121.4 -84.4 153.2 16.8 -22.6 4.5 19 16 A T E > -D 252 0A 37 233,-0.2 3,-2.8 -2,-0.2 5,-0.4 -0.560 47.8 -76.0 -87.6 160.1 13.7 -21.1 6.2 20 17 A F T 3 S+ 0 0 68 231,-1.1 -1,-0.1 1,-0.3 232,-0.1 -0.363 122.3 3.9 -60.2 123.9 13.3 -21.2 10.0 21 18 A G T 3 S+ 0 0 25 -2,-0.1 -1,-0.3 1,-0.1 231,-0.1 0.620 115.3 114.8 74.1 13.2 12.2 -24.8 10.9 22 19 A G S X S- 0 0 23 -3,-2.8 3,-1.9 3,-0.1 4,-0.2 0.385 84.4 -34.5 -91.9-138.4 12.6 -25.7 7.2 23 20 A A T 3 S+ 0 0 20 1,-0.3 3,-0.3 2,-0.1 190,-0.1 0.793 138.5 44.2 -59.8 -32.1 14.9 -28.0 5.3 24 21 A L T > S+ 0 0 1 -5,-0.4 3,-1.9 1,-0.2 -1,-0.3 0.148 75.8 121.4-101.9 19.5 17.9 -27.3 7.6 25 22 A K T < S+ 0 0 68 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.840 80.8 37.4 -44.6 -46.4 15.9 -27.6 10.8 26 23 A N T 3 S+ 0 0 88 -3,-0.3 2,-0.4 -4,-0.2 -1,-0.3 -0.126 94.1 104.8-107.1 32.4 18.0 -30.4 12.2 27 24 A V < - 0 0 8 -3,-1.9 96,-0.3 179,-0.1 -3,-0.0 -0.960 58.8-142.1-116.8 134.2 21.4 -29.4 10.9 28 25 A T > - 0 0 21 -2,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.401 30.6-104.8 -85.1 167.0 24.1 -27.9 13.2 29 26 A P H > S+ 0 0 2 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.910 122.2 48.9 -60.9 -41.3 26.4 -25.0 12.1 30 27 A V H > S+ 0 0 9 1,-0.2 4,-2.3 2,-0.2 3,-0.1 0.941 111.5 49.9 -61.4 -43.8 29.4 -27.4 11.7 31 28 A E H 4 S+ 0 0 102 1,-0.2 -1,-0.2 2,-0.2 -4,-0.0 0.857 112.1 48.2 -61.6 -33.9 27.2 -29.8 9.7 32 29 A L H < S+ 0 0 0 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.813 113.2 47.3 -79.3 -30.7 26.1 -27.0 7.4 33 30 A A H >X S+ 0 0 1 -4,-2.0 4,-2.7 -5,-0.2 3,-0.6 0.876 97.3 73.6 -75.8 -38.0 29.6 -25.6 6.9 34 31 A V H 3X S+ 0 0 21 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.870 96.6 42.1 -49.2 -56.3 31.2 -28.9 6.1 35 32 A P H 3> S+ 0 0 31 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.821 116.4 50.4 -67.3 -26.7 29.9 -29.7 2.6 36 33 A V H <> S+ 0 0 0 -3,-0.6 4,-2.5 -4,-0.5 -2,-0.2 0.880 109.7 49.8 -75.7 -40.7 30.4 -26.1 1.5 37 34 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.931 112.1 50.2 -56.7 -47.1 34.0 -26.1 2.8 38 35 A Q H X S+ 0 0 65 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.926 113.0 43.3 -60.4 -46.5 34.6 -29.3 0.9 39 36 A E H X S+ 0 0 58 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.885 110.8 56.3 -69.9 -37.7 33.2 -28.0 -2.4 40 37 A A H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.940 109.2 45.3 -57.6 -48.4 35.0 -24.7 -2.1 41 38 A V H <>S+ 0 0 4 -4,-2.2 5,-0.9 1,-0.2 4,-0.5 0.915 109.8 55.9 -63.8 -40.4 38.3 -26.3 -1.8 42 39 A K H <5S+ 0 0 157 -4,-2.0 3,-0.3 1,-0.2 -1,-0.2 0.863 117.0 35.8 -58.3 -37.7 37.6 -28.6 -4.7 43 40 A R H <5S+ 0 0 99 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.673 103.1 75.8 -85.7 -19.2 36.9 -25.6 -6.9 44 41 A G T <5S- 0 0 1 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.425 103.0-112.5 -85.2 -1.2 39.5 -23.4 -5.5 45 42 A G T 5S+ 0 0 33 -4,-0.5 2,-0.3 -3,-0.3 -3,-0.1 0.643 82.5 96.6 84.8 16.1 42.6 -24.9 -7.1 46 43 A V < - 0 0 4 -5,-0.9 -1,-0.3 3,-0.0 -2,-0.2 -0.953 69.2-123.6-134.1 152.3 44.1 -26.2 -3.9 47 44 A E > - 0 0 116 -2,-0.3 3,-2.2 -3,-0.1 4,-0.4 -0.658 38.8-107.1 -85.8 154.8 44.3 -29.5 -2.0 48 45 A P G > S+ 0 0 36 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.853 118.7 60.5 -49.6 -39.7 43.1 -29.4 1.7 49 46 A H G 3 S+ 0 0 124 1,-0.3 29,-0.0 29,-0.0 -3,-0.0 0.722 98.2 60.0 -65.1 -17.8 46.7 -29.7 3.0 50 47 A E G < S+ 0 0 45 -3,-2.2 2,-0.5 32,-0.0 -1,-0.3 0.570 80.6 102.9 -85.3 -9.8 47.5 -26.4 1.2 51 48 A V < - 0 0 2 -3,-1.9 62,-0.2 -4,-0.4 32,-0.1 -0.640 52.0-169.9 -77.1 123.0 44.9 -24.5 3.2 52 49 A D - 0 0 61 60,-2.3 31,-0.8 -2,-0.5 2,-0.3 0.789 65.1 -1.9 -83.6 -28.6 46.6 -22.5 5.9 53 50 A E E -ef 83 113A 5 59,-0.8 61,-2.4 29,-0.2 2,-0.5 -0.984 51.2-145.3-161.6 145.5 43.5 -21.4 7.9 54 51 A V E -ef 84 114A 0 29,-1.7 31,-1.7 -2,-0.3 2,-0.5 -0.990 22.5-172.7-112.5 126.5 39.7 -21.6 7.9 55 52 A I E -ef 85 115A 0 59,-2.6 61,-2.1 -2,-0.5 2,-0.4 -0.982 4.0-176.6-123.8 121.1 38.0 -18.5 9.2 56 53 A L E -ef 86 116A 1 29,-1.7 31,-2.9 -2,-0.5 2,-0.4 -0.961 22.4-140.4-121.1 139.8 34.2 -18.5 9.8 57 54 A G E +ef 87 117A 0 59,-2.6 61,-2.1 -2,-0.4 2,-0.3 -0.749 31.5 170.4 -90.0 132.9 31.9 -15.7 10.9 58 55 A H - 0 0 0 29,-2.7 3,-0.4 -2,-0.4 61,-0.1 -0.879 22.8-170.3-150.5 113.9 29.3 -17.2 13.3 59 56 A C S S+ 0 0 6 59,-0.5 2,-0.7 -2,-0.3 401,-0.2 0.893 84.9 38.8 -71.1 -42.7 26.7 -15.3 15.4 60 57 A I S S- 0 0 5 399,-0.1 -1,-0.2 30,-0.0 60,-0.2 -0.670 81.4-171.5-114.6 78.4 25.3 -17.9 17.7 61 58 A Q - 0 0 37 -2,-0.7 2,-0.4 -3,-0.4 5,-0.1 -0.231 11.6-139.1 -67.2 153.7 28.3 -20.0 18.6 62 59 A R > - 0 0 30 3,-0.4 3,-1.5 1,-0.1 5,-0.1 -0.965 11.9-146.4-123.5 134.3 27.8 -23.3 20.4 63 60 A T G > S+ 0 0 19 -2,-0.4 3,-0.7 1,-0.3 481,-0.2 0.686 102.2 62.0 -70.5 -15.7 29.9 -24.7 23.2 64 61 A D G 3 S+ 0 0 37 1,-0.3 -1,-0.3 478,-0.0 -3,-0.0 0.518 113.5 35.8 -84.6 -4.0 29.2 -28.2 21.9 65 62 A E G < S- 0 0 23 -3,-1.5 -3,-0.4 -35,-0.0 -1,-0.3 -0.504 91.8-168.4-141.0 60.6 31.0 -27.2 18.7 66 63 A A < + 0 0 4 -3,-0.7 5,-0.2 478,-0.3 -3,-0.1 -0.342 68.7 12.6 -61.8 129.2 33.7 -25.0 20.2 67 64 A N S > S- 0 0 3 385,-0.2 4,-2.4 3,-0.1 5,-0.3 0.982 78.0-154.4 64.8 78.8 35.5 -23.0 17.6 68 65 A T H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.860 87.2 53.9 -53.0 -39.4 33.2 -23.6 14.7 69 66 A A H > S+ 0 0 0 -13,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.934 112.2 40.6 -63.7 -50.5 35.9 -23.0 12.1 70 67 A R H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.913 116.5 51.2 -65.9 -41.5 38.4 -25.5 13.5 71 68 A T H X S+ 0 0 7 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.923 111.7 46.3 -63.5 -43.0 35.7 -28.0 14.2 72 69 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.3 6,-0.2 0.879 109.3 55.4 -68.3 -36.2 34.2 -27.8 10.7 73 70 A A H <>S+ 0 0 1 -4,-2.3 5,-2.2 2,-0.2 -1,-0.2 0.946 113.4 41.2 -59.2 -47.4 37.7 -28.1 9.1 74 71 A L H ><5S+ 0 0 25 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.906 113.5 52.4 -67.5 -42.0 38.3 -31.3 11.0 75 72 A A H 3<5S+ 0 0 48 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.799 103.8 58.8 -65.5 -26.8 34.8 -32.6 10.4 76 73 A A T 3<5S- 0 0 9 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.496 121.2-110.5 -77.2 -5.1 35.3 -31.9 6.6 77 74 A G T < 5 + 0 0 63 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.577 64.5 154.2 85.5 13.0 38.3 -34.3 6.8 78 75 A F < - 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