==== 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 19-MAY-08 2VU1 . COMPND 2 MOLECULE: ACETYL-COA ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ZOOGLOEA RAMIGERA; . AUTHOR P.KURSULA,W.SCHMITZ,R.K.WIERENGA . 1564 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50524.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1127 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 86 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 241 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0.2 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 . 87 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 164 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 450 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 43 2.7 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 5 3 5 3 4 0 0 6 6 0 4 0 7 0 0 1 2 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 0 0 4 8 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 . 8 12 10 0 0 0 4 11 1 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 . 6 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 T 0 0 174 0, 0.0 102,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.9 25.3 -4.0 -19.8 2 3 A P - 0 0 79 0, 0.0 2,-0.4 0, 0.0 101,-0.1 -0.187 360.0-159.6 -58.7 144.1 27.3 -2.5 -16.8 3 4 A S - 0 0 34 99,-0.1 257,-2.9 2,-0.0 2,-0.4 -0.985 6.5-168.1-130.8 117.3 30.2 -4.6 -15.6 4 5 A I E -A 259 0A 7 270,-0.5 270,-2.3 -2,-0.4 2,-0.3 -0.880 3.5-163.5-113.8 137.2 31.5 -4.0 -12.1 5 6 A V E -AB 258 273A 0 253,-3.4 253,-1.7 -2,-0.4 2,-0.9 -0.831 24.0-125.3-116.0 152.6 34.7 -5.4 -10.8 6 7 A I E -AB 257 272A 0 266,-2.9 265,-2.5 -2,-0.3 266,-0.9 -0.891 27.4-173.3 -93.7 106.9 36.1 -5.9 -7.3 7 8 A A E - 0 0 7 249,-2.0 2,-0.3 -2,-0.9 -1,-0.2 0.834 62.5 -15.1 -67.0 -41.6 39.4 -4.1 -7.6 8 9 A S E -A 256 0A 6 248,-0.8 248,-2.7 -3,-0.1 2,-0.3 -0.920 60.5-164.0-159.0 163.6 40.8 -5.0 -4.2 9 10 A A E +A 255 0A 0 -2,-0.3 2,-0.3 246,-0.3 246,-0.2 -0.967 6.7 177.6-151.6 158.2 39.6 -6.4 -0.8 10 11 A A E -A 254 0A 0 244,-2.2 244,-3.1 -2,-0.3 2,-0.3 -0.960 4.8-169.5-159.8 151.9 40.8 -6.6 2.8 11 12 A R E -Ac 253 198A 0 186,-2.2 188,-3.0 -2,-0.3 242,-0.2 -0.988 22.9-119.5-137.3 157.4 39.6 -7.9 6.1 12 13 A T - 0 0 1 240,-2.8 201,-0.1 -2,-0.3 2,-0.1 -0.431 46.0 -91.0 -73.5 158.6 40.7 -7.7 9.6 13 14 A A - 0 0 0 186,-0.4 2,-0.6 199,-0.4 239,-0.3 -0.377 49.8-109.9 -54.0 150.6 41.6 -10.8 11.5 14 15 A V - 0 0 1 237,-0.1 202,-1.8 -2,-0.1 203,-0.6 -0.875 35.3-144.3 -92.8 123.6 38.4 -12.0 13.2 15 16 A G E -D 250 0A 0 235,-2.5 235,-1.6 -2,-0.6 2,-0.1 -0.546 13.2-112.2 -87.2 151.5 38.6 -11.6 17.0 16 17 A S E > -D 249 0A 28 -2,-0.2 3,-2.8 233,-0.2 5,-0.4 -0.370 52.2 -76.7 -69.2 151.7 37.2 -13.8 19.6 17 18 A F T 3 S- 0 0 43 231,-0.8 -1,-0.2 1,-0.3 232,-0.1 -0.282 120.5 -3.4 -53.0 123.7 34.3 -12.6 21.8 18 19 A N T 3 S+ 0 0 45 -3,-0.1 -1,-0.3 3,-0.1 -2,-0.1 0.825 119.4 111.2 58.1 28.5 35.7 -10.2 24.3 19 20 A G S X S- 0 0 30 -3,-2.8 3,-2.1 3,-0.0 4,-0.2 0.384 83.2 -17.7-101.1-126.8 39.2 -11.0 22.8 20 21 A A T 3 S+ 0 0 29 1,-0.3 3,-0.3 2,-0.1 190,-0.1 0.821 143.7 34.7 -62.5 -37.5 41.6 -9.0 20.8 21 22 A F T > S+ 0 0 0 -5,-0.4 3,-2.1 1,-0.2 -1,-0.3 0.102 76.9 129.6-106.4 27.4 39.1 -6.4 19.8 22 23 A A T < S+ 0 0 15 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.751 86.8 25.7 -51.1 -35.2 37.1 -6.5 23.1 23 24 A N T 3 S+ 0 0 116 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.092 95.7 111.1-122.1 27.0 37.2 -2.7 23.4 24 25 A T < - 0 0 6 -3,-2.1 96,-0.2 179,-0.0 2,-0.1 -0.882 66.4-128.1-106.3 116.9 37.6 -1.7 19.7 25 26 A P >> - 0 0 24 0, 0.0 3,-1.5 0, 0.0 4,-1.4 -0.391 21.3-118.5 -57.2 139.2 34.6 0.1 18.1 26 27 A A H 3> S+ 0 0 1 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.882 112.0 59.9 -48.5 -43.2 33.5 -1.5 14.9 27 28 A H H 3> S+ 0 0 29 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.778 98.5 58.2 -62.1 -23.6 34.2 1.7 12.9 28 29 A E H <> S+ 0 0 71 -3,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.928 108.8 45.5 -69.8 -43.7 37.9 1.6 13.9 29 30 A L H X S+ 0 0 0 -4,-1.4 4,-2.1 1,-0.2 -2,-0.2 0.943 112.5 52.4 -62.9 -41.0 38.1 -1.9 12.3 30 31 A G H X S+ 0 0 1 -4,-2.6 4,-2.8 -5,-0.2 -2,-0.2 0.915 104.8 54.5 -64.2 -37.5 36.3 -0.6 9.3 31 32 A A H X S+ 0 0 5 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.932 107.3 50.1 -61.8 -41.6 38.6 2.3 8.8 32 33 A T H X S+ 0 0 38 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.934 112.0 48.6 -66.1 -40.9 41.6 0.1 8.7 33 34 A V H X S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.887 110.5 50.5 -65.9 -38.9 39.9 -2.0 6.1 34 35 A I H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.960 110.9 48.9 -61.1 -50.0 38.9 1.0 4.1 35 36 A S H X S+ 0 0 47 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.912 111.3 52.8 -57.1 -38.9 42.5 2.3 4.1 36 37 A A H X S+ 0 0 2 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.894 106.1 48.6 -64.2 -49.4 43.6 -1.2 3.1 37 38 A V H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 6,-0.2 0.887 113.5 49.3 -61.9 -33.0 41.4 -1.6 0.0 38 39 A L H X>S+ 0 0 8 -4,-1.9 5,-2.3 -5,-0.2 4,-1.2 0.974 113.2 46.4 -65.8 -47.9 42.5 1.8 -1.2 39 40 A E H ><5S+ 0 0 161 -4,-2.7 3,-0.5 1,-0.2 -2,-0.2 0.911 113.0 49.9 -54.9 -47.5 46.2 0.9 -0.6 40 41 A R H 3<5S+ 0 0 93 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.800 115.7 41.6 -69.9 -34.7 45.8 -2.4 -2.4 41 42 A A H 3<5S- 0 0 14 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.573 107.5-121.3 -82.6 -14.9 44.1 -1.0 -5.4 42 43 A G T <<5 + 0 0 63 -4,-1.2 2,-0.4 -3,-0.5 -3,-0.2 0.853 67.9 137.7 69.2 32.5 46.3 2.1 -5.7 43 44 A V < - 0 0 7 -5,-2.3 -1,-0.3 -6,-0.2 2,-0.2 -0.925 51.1-128.5-113.5 137.0 43.2 4.3 -5.3 44 45 A A > - 0 0 56 -2,-0.4 3,-2.2 1,-0.1 4,-0.3 -0.602 19.4-118.8 -86.9 149.4 43.4 7.4 -3.1 45 46 A A G > S+ 0 0 21 1,-0.3 3,-1.7 -2,-0.2 -1,-0.1 0.817 112.3 69.1 -51.3 -34.3 40.8 8.1 -0.4 46 47 A G G 3 S+ 0 0 60 1,-0.3 -1,-0.3 29,-0.2 29,-0.0 0.734 94.3 56.5 -57.1 -21.9 40.0 11.3 -2.4 47 48 A E G < S+ 0 0 68 -3,-2.2 2,-0.3 61,-0.0 -1,-0.3 0.559 79.5 108.2 -88.2 -6.8 38.5 9.2 -5.2 48 49 A V < - 0 0 3 -3,-1.7 62,-0.2 -4,-0.3 3,-0.1 -0.505 43.5-174.6 -80.7 136.5 36.0 7.4 -3.2 49 50 A N + 0 0 69 60,-2.8 31,-2.0 1,-0.3 2,-0.3 0.858 66.2 1.5 -92.2 -43.5 32.4 8.4 -3.8 50 51 A E E -ef 80 110A 7 59,-1.2 61,-2.0 29,-0.2 2,-0.4 -0.991 52.8-149.8-150.8 143.3 30.5 6.3 -1.2 51 52 A V E -ef 81 111A 0 29,-1.5 31,-1.8 -2,-0.3 2,-0.5 -0.990 15.7-171.3-111.7 131.7 31.2 3.9 1.7 52 53 A I E +ef 82 112A 0 59,-2.4 61,-2.2 -2,-0.4 2,-0.5 -0.970 7.5 179.0-131.4 110.4 28.5 1.2 2.4 53 54 A L E -ef 83 113A 3 29,-2.2 31,-1.4 -2,-0.5 61,-0.3 -0.945 22.8-140.7-124.3 121.1 29.0 -0.9 5.5 54 55 A G E +ef 84 114A 0 59,-3.0 61,-2.5 -2,-0.5 2,-0.3 -0.529 32.0 164.3 -72.1 144.3 26.7 -3.6 6.8 55 56 A Q - 0 0 13 29,-2.4 61,-0.1 59,-0.2 32,-0.1 -0.850 23.0-175.5-167.1 124.7 26.4 -3.5 10.6 56 57 A V S S+ 0 0 6 59,-0.3 3,-0.1 -2,-0.3 401,-0.1 0.741 81.0 43.5 -96.8 -25.0 23.8 -5.2 12.8 57 58 A L + 0 0 9 1,-0.1 60,-0.3 395,-0.0 -1,-0.2 -0.572 58.1 141.9-131.3 65.3 24.8 -3.9 16.3 58 59 A P > + 0 0 29 0, 0.0 3,-2.2 0, 0.0 4,-0.4 0.407 27.3 139.5 -80.5 -1.2 25.6 -0.1 16.1 59 60 A A T 3 S+ 0 0 13 1,-0.3 391,-0.0 2,-0.1 -2,-0.0 -0.150 76.6 2.6 -61.2 127.2 23.9 0.8 19.5 60 61 A G T 3 S+ 0 0 26 1,-0.1 -1,-0.3 474,-0.1 3,-0.1 0.297 100.7 105.2 83.0 -6.9 26.0 3.3 21.4 61 62 A E S < S- 0 0 32 -3,-2.2 -2,-0.1 1,-0.2 2,-0.1 0.612 82.2-121.1 -83.1 -8.1 28.6 3.7 18.7 62 63 A G - 0 0 5 -4,-0.4 -1,-0.2 472,-0.1 476,-0.2 -0.348 56.0 -7.7 93.1 177.1 27.2 7.1 17.6 63 64 A Q S S- 0 0 4 478,-0.7 5,-0.2 474,-0.6 476,-0.1 -0.289 118.7 -30.6 -55.5 124.1 25.9 8.7 14.5 64 65 A N >> - 0 0 3 474,-0.5 4,-1.4 1,-0.1 3,-1.4 0.851 61.3-156.4 39.5 72.4 26.2 6.5 11.4 65 66 A P H 3> S+ 0 0 5 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.792 88.2 68.4 -52.8 -27.5 29.3 4.5 12.1 66 67 A A H 3> S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.890 102.9 45.6 -52.9 -48.4 29.9 3.9 8.4 67 68 A R H <> S+ 0 0 3 -3,-1.4 4,-2.9 2,-0.2 -1,-0.2 0.841 109.5 55.2 -64.4 -39.1 30.6 7.7 8.1 68 69 A Q H X S+ 0 0 16 -4,-1.4 4,-2.0 -5,-0.2 -2,-0.2 0.914 109.8 46.3 -60.9 -40.7 32.8 7.5 11.1 69 70 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.916 113.5 49.2 -64.4 -43.5 34.9 4.7 9.4 70 71 A A H <>S+ 0 0 2 -4,-2.4 5,-2.2 2,-0.2 4,-0.3 0.956 112.7 46.7 -66.6 -45.1 35.0 6.6 6.2 71 72 A M H ><5S+ 0 0 47 -4,-2.9 3,-1.7 1,-0.3 -1,-0.2 0.918 110.4 51.5 -67.4 -36.2 36.2 9.8 7.9 72 73 A K H 3<5S+ 0 0 127 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.874 107.4 55.2 -69.0 -34.9 38.8 8.1 10.0 73 74 A A T 3<5S- 0 0 12 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.473 122.1-107.2 -75.9 -1.9 40.1 6.5 6.8 74 75 A G T < 5 + 0 0 49 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.1 0.596 64.0 155.6 85.2 10.8 40.5 10.0 5.2 75 76 A V < - 0 0 5 -5,-2.2 -1,-0.3 -6,-0.2 -29,-0.2 -0.516 52.1-101.3 -69.1 136.2 37.6 9.6 2.8 76 77 A P > - 0 0 31 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.152 15.5-119.1 -66.1 157.3 36.6 13.2 2.0 77 78 A Q T 3 S+ 0 0 60 1,-0.3 598,-0.2 -3,-0.1 -2,-0.1 0.764 112.3 65.3 -63.3 -22.9 33.7 14.9 3.6 78 79 A E T 3 S+ 0 0 115 596,-0.1 596,-2.4 595,-0.1 -1,-0.3 0.698 89.1 79.3 -75.4 -19.4 32.2 15.3 0.1 79 80 A A S < S- 0 0 7 -3,-1.5 2,-0.3 594,-0.2 -29,-0.2 -0.146 79.4-131.5 -70.8 172.2 31.8 11.5 -0.2 80 81 A T E -e 50 0A 5 -31,-2.0 -29,-1.5 594,-0.1 2,-0.3 -0.841 19.8-170.6-124.9 170.8 28.9 9.9 1.5 81 82 A A E +e 51 0A 0 -2,-0.3 2,-0.3 -31,-0.2 -29,-0.2 -0.981 7.1 170.6-158.2 147.9 28.6 6.8 3.8 82 83 A W E -e 52 0A 0 -31,-1.8 -29,-2.2 -2,-0.3 2,-0.3 -0.979 22.6-127.9-162.7 158.0 25.7 4.7 5.2 83 84 A G E -eG 53 478A 10 395,-2.4 395,-2.9 -2,-0.3 2,-0.3 -0.755 21.4-173.3-104.7 156.5 25.0 1.6 7.1 84 85 A M E -eG 54 477A 4 -31,-1.4 -29,-2.4 -2,-0.3 2,-0.4 -0.977 11.6-148.9-148.8 168.0 22.7 -1.2 6.4 85 86 A N E + G 0 476A 21 391,-2.8 391,-2.4 -2,-0.3 3,-0.1 -0.915 35.9 144.9-147.9 108.8 21.3 -4.4 7.9 86 87 A Q > - 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0 0 1 -3,-1.2 399,-0.2 -4,-0.3 400,-0.2 -0.481 57.2-138.7 -65.3 129.4 27.4 -4.3 21.8 122 123 A P - 0 0 3 0, 0.0 19,-1.8 0, 0.0 20,-0.4 -0.261 7.3-113.4 -86.6 171.6 25.7 -2.8 24.9 123 124 A H E -XY 140 518B 0 395,-2.7 395,-2.3 17,-0.2 2,-0.3 -0.847 41.2-167.3 -96.6 148.1 22.9 -3.9 27.1 124 125 A C E -XY 139 517B 4 15,-2.7 15,-3.1 -2,-0.3 2,-0.3 -0.875 20.8-173.1-143.8 158.7 19.7 -1.7 26.9 125 126 A A E - Y 0 516B 8 391,-2.2 391,-2.7 -2,-0.3 2,-0.8 -0.953 30.5-123.0-153.0 132.4 16.4 -0.9 28.6 126 127 A H + 0 0 61 -2,-0.3 3,-0.1 389,-0.3 388,-0.1 -0.778 42.1 162.1 -78.0 112.5 13.6 1.4 27.5 127 128 A L > + 0 0 3 -2,-0.8 789,-1.2 387,-0.3 3,-1.2 0.359 35.8 102.8-122.1 8.0 13.3 3.8 30.5 128 129 A R T 3 S+ 0 0 5 1,-0.3 -1,-0.1 384,-0.3 3,-0.1 0.788 86.2 47.4 -66.1 -36.0 11.3 6.8 29.3 129 130 A G T 3 S- 0 0 46 1,-0.2 -1,-0.3 -3,-0.1 3,-0.2 0.522 112.7-128.0 -79.6 -7.7 8.1 5.9 31.0 130 131 A G < - 0 0 16 -3,-1.2 2,-0.3 1,-0.1 -1,-0.2 -0.075 9.6-105.0 79.2 169.1 10.0 5.1 34.2 131 132 A V - 0 0 29 781,-1.2 -1,-0.1 1,-0.1 781,-0.1 -0.816 33.0-167.7-131.3 88.9 9.8 1.9 36.1 132 133 A K - 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