==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 18-JUN-09 2WKT . COMPND 2 MOLECULE: ACETYL-COA ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ZOOGLOEA RAMIGERA; . AUTHOR G.MERILAINEN,V.POIKELA,P.KURSULA,R.K.WIERENGA . 1556 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50182.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1141 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 85 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 247 15.9 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 . 2 0.1 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 . 95 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 167 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 446 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 43 2.8 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 1 7 3 4 0 0 5 7 0 4 0 7 0 0 1 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 1 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 . 11 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 4 A S 0 0 109 0, 0.0 257,-3.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -42.5 30.4 -3.9 -16.0 2 5 A I E -A 257 0A 6 270,-0.4 270,-2.5 255,-0.3 2,-0.3 -0.851 360.0-174.3-110.7 126.1 31.5 -3.8 -12.2 3 6 A V E -AB 256 271A 0 253,-2.6 253,-1.5 -2,-0.5 2,-0.8 -0.728 29.7-123.1-111.8 159.0 34.8 -5.2 -10.8 4 7 A I E -AB 255 270A 0 266,-2.9 265,-2.3 -2,-0.3 266,-0.9 -0.896 26.9-173.8 -94.6 108.5 36.3 -5.7 -7.4 5 8 A A E - 0 0 7 249,-2.7 2,-0.3 -2,-0.8 -1,-0.2 0.870 62.8 -13.6 -70.0 -39.9 39.6 -3.8 -7.6 6 9 A S E -A 254 0A 5 248,-0.9 248,-2.6 262,-0.1 2,-0.3 -0.983 59.1-159.0-159.6 161.2 40.9 -4.8 -4.2 7 10 A A E +A 253 0A 1 -2,-0.3 2,-0.3 246,-0.2 246,-0.2 -0.981 10.1 169.6-147.8 158.9 39.9 -6.3 -0.9 8 11 A A E -A 252 0A 0 244,-1.9 244,-2.7 -2,-0.3 2,-0.3 -0.976 5.8-173.8-160.6 156.0 41.0 -6.5 2.7 9 12 A R E -Ac 251 196A 0 186,-2.2 188,-2.2 -2,-0.3 242,-0.2 -0.990 26.2-116.1-147.0 155.9 39.9 -7.6 6.1 10 13 A T - 0 0 1 240,-2.1 201,-0.1 -2,-0.3 203,-0.0 -0.446 48.0 -90.0 -73.5 161.4 41.1 -7.5 9.7 11 14 A A - 0 0 0 186,-0.4 2,-0.6 199,-0.4 239,-0.3 -0.332 50.7-105.8 -54.3 156.1 41.9 -10.7 11.5 12 15 A V - 0 0 2 237,-0.1 202,-1.2 331,-0.1 203,-0.6 -0.844 37.7-146.1 -90.3 126.4 38.7 -11.9 13.2 13 16 A G E -D 248 0A 0 235,-2.8 235,-1.8 -2,-0.6 2,-0.1 -0.637 15.4-109.7 -92.3 150.0 39.0 -11.3 17.0 14 17 A S E > -D 247 0A 28 -2,-0.3 3,-2.7 233,-0.2 5,-0.4 -0.414 50.9 -78.2 -71.9 154.0 37.5 -13.6 19.7 15 18 A F T 3 S- 0 0 32 231,-1.0 -1,-0.1 1,-0.3 5,-0.1 -0.305 120.6 -4.0 -54.1 129.2 34.5 -12.4 21.7 16 19 A N T 3 S+ 0 0 51 3,-0.1 -1,-0.3 4,-0.1 -2,-0.1 0.813 120.4 110.6 45.8 37.5 35.9 -10.0 24.3 17 20 A G S X S- 0 0 31 -3,-2.7 3,-1.8 3,-0.0 4,-0.2 0.389 82.9 -15.8-106.8-122.1 39.3 -10.9 22.9 18 21 A A T 3 S+ 0 0 28 1,-0.3 3,-0.2 2,-0.1 190,-0.1 0.792 144.2 33.3 -59.5 -30.3 41.8 -8.9 20.9 19 22 A F T > S+ 0 0 0 -5,-0.4 3,-2.0 1,-0.2 -1,-0.3 0.017 77.4 131.3-117.4 27.7 39.3 -6.2 20.0 20 23 A A T < S+ 0 0 17 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.773 85.5 27.3 -51.8 -34.6 37.3 -6.3 23.2 21 24 A N T 3 S+ 0 0 120 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.043 94.7 112.6-119.8 27.0 37.4 -2.5 23.5 22 25 A T < - 0 0 7 -3,-2.0 96,-0.2 179,-0.0 95,-0.1 -0.895 64.7-130.0-107.7 115.3 37.7 -1.5 19.9 23 26 A P >> - 0 0 29 0, 0.0 3,-1.3 0, 0.0 4,-1.0 -0.272 23.4-117.4 -56.5 141.3 34.7 0.3 18.3 24 27 A A H >> S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 3,-0.9 0.882 110.6 61.1 -47.7 -46.6 33.6 -1.2 15.0 25 28 A H H 3> S+ 0 0 29 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.754 98.1 58.1 -59.9 -25.6 34.4 2.0 13.0 26 29 A E H <> S+ 0 0 75 -3,-1.3 4,-1.4 2,-0.2 -1,-0.3 0.864 108.5 45.9 -67.0 -39.1 38.1 1.8 14.0 27 30 A L H S+ 0 0 9 -4,-1.6 5,-2.2 2,-0.2 4,-1.1 0.949 113.2 45.0 -68.2 -51.7 42.7 2.0 -1.2 37 40 A E H ><5S+ 0 0 151 -4,-2.6 3,-1.0 1,-0.2 -2,-0.2 0.951 112.5 51.2 -56.2 -47.1 46.4 1.3 -0.7 38 41 A R H 3<5S+ 0 0 97 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.814 114.7 43.5 -64.6 -28.9 46.1 -2.2 -2.4 39 42 A A H 3<5S- 0 0 13 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.589 108.3-119.5 -89.9 -9.8 44.3 -0.6 -5.4 40 43 A G T <<5 + 0 0 67 -4,-1.1 2,-0.4 -3,-1.0 -3,-0.2 0.739 69.0 140.7 72.4 24.9 46.6 2.4 -5.8 41 44 A V < - 0 0 8 -5,-2.2 -1,-0.3 -6,-0.2 2,-0.2 -0.848 50.0-130.3-109.1 133.7 43.5 4.5 -5.2 42 45 A A > - 0 0 52 -2,-0.4 3,-2.0 1,-0.1 4,-0.2 -0.566 15.9-127.2 -81.5 144.9 43.5 7.7 -3.2 43 46 A A G > S+ 0 0 22 1,-0.3 3,-1.9 -2,-0.2 -1,-0.1 0.840 108.3 70.7 -57.6 -34.3 40.9 8.3 -0.5 44 47 A G G 3 S+ 0 0 57 1,-0.3 -1,-0.3 29,-0.2 29,-0.0 0.765 94.2 57.5 -48.1 -26.6 40.2 11.6 -2.2 45 48 A E G < S+ 0 0 66 -3,-2.0 -1,-0.3 61,-0.0 2,-0.2 0.493 77.8 109.0 -91.3 -3.4 38.7 9.6 -5.0 46 49 A V < - 0 0 5 -3,-1.9 62,-0.2 -4,-0.2 3,-0.1 -0.531 43.4-171.9 -80.5 139.2 36.0 7.6 -3.1 47 50 A N + 0 0 67 60,-2.5 31,-2.1 1,-0.3 2,-0.3 0.812 68.0 0.8 -94.5 -42.0 32.4 8.7 -3.7 48 51 A E E -ef 78 108A 6 59,-1.2 61,-2.2 29,-0.2 2,-0.4 -0.992 50.9-148.7-153.1 142.8 30.7 6.6 -1.0 49 52 A V E -ef 79 109A 0 29,-1.7 31,-1.9 -2,-0.3 2,-0.5 -0.950 17.1-171.5-105.3 128.3 31.4 4.1 1.8 50 53 A I E -ef 80 110A 0 59,-2.6 61,-2.1 -2,-0.4 2,-0.5 -0.942 8.4-179.1-125.6 107.7 28.6 1.5 2.5 51 54 A L E -ef 81 111A 0 29,-2.1 31,-1.0 -2,-0.5 61,-0.3 -0.934 21.8-142.1-119.5 119.5 29.1 -0.7 5.6 52 55 A G E +ef 82 112A 0 59,-3.2 61,-2.6 -2,-0.5 2,-0.3 -0.473 31.7 164.1 -65.5 140.8 26.8 -3.4 6.9 53 56 A Q - 0 0 14 29,-2.0 61,-0.1 59,-0.2 32,-0.1 -0.840 23.4-174.5-165.4 118.6 26.6 -3.4 10.7 54 57 A V S S+ 0 0 7 -2,-0.3 398,-0.1 59,-0.2 60,-0.1 0.817 80.3 40.5 -88.5 -30.0 24.1 -5.1 12.8 55 58 A L + 0 0 9 1,-0.1 60,-0.3 392,-0.0 -1,-0.2 -0.601 59.1 138.1-125.0 71.8 25.0 -3.8 16.3 56 59 A P > + 0 0 32 0, 0.0 3,-2.5 0, 0.0 4,-0.3 0.514 26.1 138.8 -94.1 -0.0 25.9 -0.1 16.3 57 60 A A T 3 S+ 0 0 14 1,-0.3 388,-0.0 2,-0.1 472,-0.0 -0.111 75.8 10.7 -50.2 134.3 24.1 1.0 19.5 58 61 A G T 3 S+ 0 0 24 471,-0.1 -1,-0.3 61,-0.1 3,-0.1 0.313 98.8 104.1 81.5 -7.3 26.1 3.4 21.6 59 62 A E S < S- 0 0 32 -3,-2.5 -2,-0.1 1,-0.2 2,-0.1 0.606 83.0-121.2 -81.7 -11.7 28.7 4.0 18.9 60 63 A G - 0 0 6 -4,-0.3 473,-0.2 469,-0.1 -1,-0.2 -0.299 57.5 -8.7 94.6 176.3 27.3 7.4 17.9 61 64 A Q S S- 0 0 6 471,-0.7 5,-0.3 475,-0.7 473,-0.1 -0.189 118.3 -28.5 -54.2 124.6 26.0 8.8 14.6 62 65 A N >> - 0 0 3 471,-0.5 4,-1.5 1,-0.1 3,-1.1 0.859 60.0-156.6 42.1 75.2 26.4 6.7 11.5 63 66 A P H 3> S+ 0 0 5 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.840 89.3 66.8 -54.8 -29.4 29.5 4.6 12.3 64 67 A A H 3> S+ 0 0 1 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.918 103.0 46.3 -55.3 -44.7 30.0 4.1 8.5 65 68 A R H <> S+ 0 0 5 -3,-1.1 4,-2.7 2,-0.2 -1,-0.2 0.851 109.1 54.5 -64.3 -39.2 30.8 7.8 8.2 66 69 A Q H X S+ 0 0 18 -4,-1.5 4,-2.2 -5,-0.3 -2,-0.2 0.899 110.0 48.0 -60.4 -39.8 33.1 7.7 11.3 67 70 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.906 112.9 46.7 -64.0 -44.4 35.0 5.0 9.6 68 71 A A H <>S+ 0 0 2 -4,-1.8 5,-2.4 -5,-0.2 4,-0.3 0.931 113.3 48.3 -68.8 -44.7 35.3 6.8 6.3 69 72 A M H ><5S+ 0 0 48 -4,-2.7 3,-1.4 1,-0.2 -1,-0.2 0.900 110.0 52.0 -62.8 -41.1 36.3 10.1 7.9 70 73 A K H 3<5S+ 0 0 144 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.912 107.6 52.9 -62.7 -39.9 39.0 8.3 10.0 71 74 A A T 3<5S- 0 0 16 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.518 121.9-110.8 -70.5 -5.4 40.3 6.7 6.8 72 75 A G T < 5 + 0 0 47 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.637 60.4 158.1 83.5 14.1 40.6 10.2 5.3 73 76 A V < - 0 0 4 -5,-2.4 -1,-0.3 -6,-0.2 -29,-0.2 -0.538 54.1 -95.7 -64.2 139.4 37.8 9.8 2.8 74 77 A P > - 0 0 31 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.193 18.7-121.2 -67.4 156.7 36.8 13.4 2.0 75 78 A Q T 3 S+ 0 0 57 1,-0.3 595,-0.3 -3,-0.1 -2,-0.1 0.765 111.7 65.5 -66.7 -24.3 33.9 15.2 3.7 76 79 A E T 3 S+ 0 0 115 593,-0.2 593,-2.7 592,-0.1 -1,-0.3 0.692 90.3 81.2 -70.2 -23.1 32.3 15.7 0.3 77 80 A A S < S- 0 0 8 -3,-1.4 2,-0.2 591,-0.2 -29,-0.2 -0.305 78.7-129.5 -69.2 170.2 31.9 12.0 -0.0 78 81 A T E -e 48 0A 5 -31,-2.1 -29,-1.7 589,-0.1 2,-0.3 -0.691 19.0-169.1-117.6 172.8 29.0 10.2 1.6 79 82 A A E +e 49 0A 0 -2,-0.2 2,-0.3 -31,-0.2 -29,-0.2 -0.973 8.2 167.7-159.1 144.3 28.5 7.1 3.9 80 83 A W E -e 50 0A 0 -31,-1.9 -29,-2.1 -2,-0.3 2,-0.3 -0.984 21.1-136.9-152.2 163.6 25.8 5.0 5.2 81 84 A G E -eG 51 473A 10 392,-2.0 392,-3.6 -2,-0.3 2,-0.3 -0.854 18.0-170.4-120.6 158.9 25.2 1.7 7.0 82 85 A M E -eG 52 472A 2 -31,-1.0 -29,-2.0 -2,-0.3 2,-0.4 -0.956 11.0-144.0-144.6 165.1 22.6 -1.0 6.4 83 86 A N E + G 0 471A 23 388,-3.4 388,-2.0 -2,-0.3 3,-0.1 -0.878 36.1 145.6-144.5 108.8 21.4 -4.2 8.0 84 87 A Q > - 0 0 0 1,-0.5 3,-2.1 -2,-0.4 4,-0.2 -0.375 65.6-118.2-125.9 46.7 20.2 -7.4 6.5 85 88 A L G > S- 0 0 1 1,-0.3 3,-1.3 2,-0.2 -1,-0.5 -0.239 84.3 -5.9 58.0-128.0 21.7 -9.3 9.5 86 89 A X G 3 S+ 0 0 10 1,-0.3 -1,-0.3 2,-0.1 265,-0.2 0.510 133.0 63.8 -76.8 -3.6 24.4 -11.8 8.6 87 90 A G G X> S+ 0 0 0 -3,-2.1 4,-2.6 1,-0.1 3,-0.8 0.544 79.7 94.8 -85.1 -9.1 23.8 -11.1 4.9 88 91 A S H <> S+ 0 0 0 -3,-1.3 4,-2.6 1,-0.3 5,-0.2 0.837 75.2 52.2 -56.7 -47.0 24.9 -7.5 5.5 89 92 A G H 3> S+ 0 0 0 258,-0.4 4,-0.5 -4,-0.2 -1,-0.3 0.794 118.2 37.5 -64.7 -32.0 28.6 -7.5 4.6 90 93 A L H <> S+ 0 0 1 -3,-0.8 4,-1.7 -4,-0.2 3,-0.3 0.858 113.2 55.3 -86.6 -41.0 27.9 -9.1 1.2 91 94 A R H X S+ 0 0 0 -4,-2.6 4,-3.3 1,-0.2 5,-0.2 0.897 101.8 59.2 -55.4 -43.4 24.7 -7.2 0.4 92 95 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.878 104.1 52.3 -52.2 -40.6 26.6 -3.9 1.0 93 96 A V H X S+ 0 0 0 -4,-0.5 4,-2.6 -3,-0.3 -1,-0.2 0.929 110.5 45.2 -63.7 -46.9 28.9 -5.1 -1.8 94 97 A A H X S+ 0 0 1 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.884 113.7 51.4 -63.9 -37.6 25.9 -5.7 -4.2 95 98 A L H X S+ 0 0 0 -4,-3.3 4,-1.7 2,-0.2 -2,-0.2 0.904 109.3 49.6 -62.6 -41.1 24.5 -2.4 -3.1 96 99 A G H X S+ 0 0 0 -4,-2.5 4,-1.2 -5,-0.2 -2,-0.2 0.930 108.8 53.5 -62.2 -45.7 27.8 -0.7 -3.9 97 100 A M H X S+ 0 0 24 -4,-2.6 4,-2.6 1,-0.2 3,-0.4 0.893 104.3 55.7 -56.7 -42.3 27.8 -2.3 -7.3 98 101 A Q H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 6,-0.3 0.916 99.1 60.0 -60.2 -41.2 24.3 -0.9 -8.0 99 102 A Q H <>S+ 0 0 2 -4,-1.7 5,-2.1 1,-0.2 6,-1.2 0.876 112.8 39.4 -51.1 -40.8 25.5 2.7 -7.3 100 103 A I H ><5S+ 0 0 19 -4,-1.2 3,-1.6 -3,-0.4 -1,-0.2 0.895 111.0 57.8 -75.2 -42.4 28.0 2.3 -10.2 101 104 A A H 3<5S+ 0 0 49 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.842 109.1 46.0 -58.6 -33.6 25.6 0.3 -12.4 102 105 A T T 3<5S- 0 0 40 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.421 115.7-113.2 -92.6 5.2 23.1 3.1 -12.4 103 106 A G T < 5S+ 0 0 59 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.671 84.0 118.4 75.6 19.6 25.7 5.8 -13.0 104 107 A D S S+ 0 0 1 131,-0.9 3,-0.7 -2,-0.6 -1,-0.1 0.837 79.9 59.7 -73.7 -28.6 29.9 -7.9 19.0 117 120 A S T 3 S+ 0 0 0 1,-0.2 399,-0.3 -3,-0.1 -1,-0.2 0.850 105.7 46.1 -63.9 -40.1 32.1 -7.4 22.1 118 121 A M T 3 S+ 0 0 54 -96,-0.2 -1,-0.2 -99,-0.1 -2,-0.2 0.476 83.0 121.4 -84.6 -2.0 31.3 -3.7 22.3 119 122 A A < - 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