==== 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 03-JUL-02 1M4S . COMPND 2 MOLECULE: ACETYL-COA ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ZOOGLOEA RAMIGERA; . AUTHOR P.KURSULA,J.OJALA,A.-M.LAMBEIR,R.K.WIERENGA . 1568 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50702.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1102 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 83 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 244 15.6 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 . 1 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 . 84 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 147 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 446 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 41 2.6 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 2 2 0 8 4 0 4 0 6 0 0 2 2 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 1 3 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 . 9 11 11 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 1 A S 0 0 173 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 114.0 26.9 -2.4 -23.3 2 2 A T - 0 0 127 1,-0.0 102,-0.0 0, 0.0 0, 0.0 -0.906 360.0 -94.9-102.4 133.2 25.7 -3.8 -19.9 3 3 A P - 0 0 81 0, 0.0 2,-0.5 0, 0.0 101,-0.1 -0.283 39.0-162.2 -43.2 120.1 27.4 -2.4 -16.8 4 4 A S - 0 0 30 99,-0.1 257,-2.9 2,-0.0 2,-0.4 -0.977 5.9-166.6-109.8 116.4 30.3 -4.6 -15.7 5 5 A I E -A 260 0A 6 -2,-0.5 270,-2.7 270,-0.5 2,-0.3 -0.831 4.0-167.1-100.5 135.5 31.4 -4.1 -12.1 6 6 A V E -AB 259 274A 0 253,-2.7 253,-1.8 -2,-0.4 2,-0.9 -0.894 27.0-124.9-119.9 153.8 34.7 -5.5 -10.7 7 7 A I E -AB 258 273A 0 266,-3.0 265,-1.5 -2,-0.3 266,-0.9 -0.865 28.3-176.5 -89.1 104.3 36.2 -5.9 -7.3 8 8 A A E - 0 0 6 249,-2.3 2,-0.3 -2,-0.9 -1,-0.2 0.896 64.5 -9.6 -72.8 -38.1 39.5 -4.1 -7.7 9 9 A S E -A 257 0A 5 248,-0.9 248,-2.9 -3,-0.1 2,-0.3 -0.939 62.4-170.2-155.2 158.7 40.9 -4.8 -4.2 10 10 A A E +A 256 0A 1 -2,-0.3 2,-0.3 246,-0.3 246,-0.2 -0.983 6.2 171.0-151.4 164.0 39.7 -6.3 -0.9 11 11 A A E -A 255 0A 0 244,-2.1 244,-3.1 -2,-0.3 2,-0.3 -0.977 8.4-166.6-165.0 155.1 40.8 -6.8 2.7 12 12 A R E -Ac 254 199A 0 186,-2.3 188,-2.4 -2,-0.3 242,-0.2 -0.998 24.0-117.7-137.6 155.6 39.7 -7.9 6.1 13 13 A T - 0 0 0 240,-2.6 201,-0.1 -2,-0.3 203,-0.0 -0.521 49.5 -88.9 -70.8 161.1 40.9 -7.7 9.7 14 14 A A - 0 0 0 186,-0.5 2,-0.6 199,-0.4 239,-0.3 -0.293 49.7-109.3 -50.0 153.1 41.6 -10.9 11.5 15 15 A V - 0 0 1 237,-0.1 202,-1.4 331,-0.1 203,-0.7 -0.869 37.4-145.1 -97.0 118.4 38.4 -12.1 13.1 16 16 A G E -D 251 0A 0 235,-2.9 235,-1.5 -2,-0.6 3,-0.1 -0.536 13.3-109.9 -85.4 154.2 38.7 -11.7 16.9 17 17 A S E > -D 250 0A 27 -2,-0.2 3,-2.4 233,-0.2 5,-0.4 -0.379 53.0 -76.6 -72.1 154.4 37.3 -13.9 19.6 18 18 A F T 3 S- 0 0 45 231,-0.9 -1,-0.1 1,-0.3 5,-0.1 -0.341 121.1 -3.7 -52.7 127.1 34.4 -12.6 21.8 19 19 A N T 3 S+ 0 0 48 3,-0.1 -1,-0.3 4,-0.1 -2,-0.1 0.808 118.8 114.5 47.5 34.8 35.9 -10.2 24.3 20 20 A G S X S- 0 0 27 -3,-2.4 3,-2.2 3,-0.0 4,-0.2 0.342 82.6 -20.5-100.9-131.3 39.3 -11.2 22.8 21 21 A A T 3 S+ 0 0 32 1,-0.3 3,-0.2 2,-0.1 190,-0.1 0.788 144.9 34.3 -55.0 -37.4 41.8 -9.1 20.8 22 22 A F T > S+ 0 0 0 -5,-0.4 3,-2.2 1,-0.2 -1,-0.3 0.071 77.3 130.9-108.3 22.9 39.3 -6.5 19.8 23 23 A A T < S+ 0 0 16 -3,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.759 85.5 27.7 -46.0 -35.9 37.2 -6.6 23.1 24 24 A N T 3 S+ 0 0 114 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.121 95.1 112.1-122.5 25.9 37.3 -2.8 23.4 25 25 A T < - 0 0 8 -3,-2.2 96,-0.2 179,-0.0 95,-0.1 -0.884 65.4-128.0-102.4 116.7 37.6 -1.7 19.7 26 26 A P >> - 0 0 28 0, 0.0 3,-1.7 0, 0.0 4,-1.0 -0.359 22.8-119.4 -57.5 136.7 34.7 0.1 18.1 27 27 A A H 3> S+ 0 0 0 1,-0.3 4,-2.1 2,-0.2 3,-0.2 0.801 111.6 61.6 -45.1 -43.3 33.6 -1.6 14.8 28 28 A H H 3> S+ 0 0 25 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.758 97.6 56.4 -62.7 -26.5 34.4 1.7 12.9 29 29 A E H <> S+ 0 0 66 -3,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.872 110.4 45.5 -69.6 -40.7 38.1 1.6 13.9 30 30 A L H X S+ 0 0 0 -4,-1.0 4,-1.9 -3,-0.2 -2,-0.2 0.884 112.9 50.4 -63.6 -41.8 38.3 -1.9 12.3 31 31 A G H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.888 106.7 55.3 -65.3 -40.0 36.3 -0.6 9.3 32 32 A A H X S+ 0 0 6 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.890 106.9 49.6 -60.6 -39.7 38.7 2.3 8.9 33 33 A T H X S+ 0 0 41 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.925 113.3 46.5 -70.8 -40.2 41.8 0.0 8.7 34 34 A V H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.900 110.0 53.0 -67.9 -40.0 40.0 -2.1 6.1 35 35 A I H X S+ 0 0 0 -4,-3.0 4,-1.6 2,-0.2 -2,-0.2 0.944 111.3 47.1 -54.2 -47.3 38.9 1.0 4.1 36 36 A S H X S+ 0 0 36 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.886 112.1 52.5 -62.5 -37.6 42.6 2.2 4.1 37 37 A A H X S+ 0 0 2 -4,-1.9 4,-3.1 2,-0.2 5,-0.2 0.901 107.5 47.8 -66.7 -43.9 43.8 -1.3 3.0 38 38 A V H X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 6,-0.3 0.860 113.6 49.6 -69.7 -30.4 41.5 -1.7 -0.0 39 39 A L H X>S+ 0 0 8 -4,-1.6 5,-2.2 -5,-0.2 4,-1.4 0.970 114.5 43.7 -68.4 -49.0 42.5 1.8 -1.2 40 40 A E H <5S+ 0 0 153 -4,-2.4 -2,-0.2 1,-0.2 3,-0.2 0.900 113.3 51.4 -64.4 -42.7 46.3 1.0 -0.8 41 41 A R H <5S+ 0 0 96 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.809 117.0 39.5 -67.6 -26.9 46.0 -2.5 -2.3 42 42 A A H <5S- 0 0 14 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.631 108.1-121.1 -93.8 -14.1 44.1 -1.0 -5.4 43 43 A G T <5 + 0 0 63 -4,-1.4 2,-0.4 1,-0.3 -3,-0.2 0.774 66.5 138.5 76.5 23.9 46.3 2.1 -5.7 44 44 A V < - 0 0 7 -5,-2.2 -1,-0.3 -6,-0.3 2,-0.2 -0.865 49.7-128.0-101.7 141.5 43.3 4.3 -5.3 45 45 A A > - 0 0 56 -2,-0.4 3,-1.7 1,-0.1 4,-0.3 -0.599 17.7-120.6 -86.5 145.3 43.4 7.4 -3.1 46 46 A A G > S+ 0 0 24 1,-0.3 3,-1.7 -2,-0.2 -1,-0.1 0.814 110.7 68.7 -44.2 -37.8 40.9 8.2 -0.4 47 47 A G G 3 S+ 0 0 59 1,-0.3 -1,-0.3 29,-0.2 29,-0.0 0.730 94.5 54.7 -61.8 -25.3 40.1 11.4 -2.3 48 48 A E G < S+ 0 0 66 -3,-1.7 2,-0.3 61,-0.0 -1,-0.3 0.465 79.3 113.2 -86.1 -5.8 38.5 9.4 -5.1 49 49 A V < - 0 0 4 -3,-1.7 62,-0.2 -4,-0.3 3,-0.1 -0.486 40.9-176.0 -73.9 129.1 36.0 7.5 -3.0 50 50 A N + 0 0 67 60,-2.1 31,-2.0 1,-0.3 2,-0.3 0.881 66.0 0.0 -88.6 -42.7 32.4 8.5 -3.7 51 51 A E E -ef 81 111A 7 59,-1.2 61,-2.3 29,-0.2 2,-0.5 -1.000 50.8-151.7-152.0 141.0 30.7 6.3 -1.0 52 52 A V E -ef 82 112A 0 29,-2.0 31,-1.7 -2,-0.3 2,-0.5 -0.973 15.7-171.5-111.3 134.2 31.4 3.8 1.7 53 53 A I E -ef 83 113A 0 59,-2.4 61,-2.3 -2,-0.5 2,-0.5 -0.980 6.2-177.7-128.5 113.4 28.6 1.3 2.5 54 54 A L E -ef 84 114A 0 29,-2.4 31,-1.3 -2,-0.5 61,-0.3 -0.948 21.0-141.1-120.9 118.9 29.1 -0.9 5.6 55 55 A G E +ef 85 115A 0 59,-3.2 61,-2.9 -2,-0.5 2,-0.2 -0.504 33.2 163.9 -69.3 139.2 26.8 -3.6 6.8 56 56 A Q - 0 0 12 29,-2.3 61,-0.1 59,-0.2 32,-0.1 -0.818 24.7-176.2-164.4 121.4 26.5 -3.6 10.6 57 57 A V S S+ 0 0 6 -2,-0.2 3,-0.1 59,-0.2 401,-0.1 0.775 80.6 42.8 -92.1 -29.6 23.9 -5.2 12.8 58 58 A L + 0 0 10 1,-0.1 60,-0.2 395,-0.0 -1,-0.2 -0.462 59.6 137.1-122.3 65.6 24.9 -4.0 16.3 59 59 A P > + 0 0 30 0, 0.0 3,-2.3 0, 0.0 4,-0.3 0.485 27.1 138.9 -92.1 -1.1 25.8 -0.2 16.2 60 60 A A T 3 S+ 0 0 13 1,-0.3 391,-0.0 -3,-0.1 -2,-0.0 -0.114 75.6 8.7 -51.8 129.8 24.0 0.8 19.5 61 61 A G T 3 S+ 0 0 26 474,-0.1 -1,-0.3 61,-0.1 3,-0.1 0.240 99.6 103.3 82.8 -9.2 26.1 3.3 21.5 62 62 A E S < S- 0 0 33 -3,-2.3 -2,-0.1 1,-0.2 2,-0.1 0.553 83.9-119.2 -79.0 -8.8 28.7 3.8 18.8 63 63 A G - 0 0 4 -4,-0.3 476,-0.2 472,-0.1 -1,-0.2 -0.354 57.9 -9.6 95.0 178.4 27.3 7.2 17.8 64 64 A Q S S- 0 0 5 478,-0.7 5,-0.2 474,-0.7 480,-0.1 -0.371 119.5 -30.0 -56.5 120.7 25.9 8.6 14.6 65 65 A N >> - 0 0 3 474,-0.5 4,-1.5 1,-0.1 3,-1.3 0.832 60.0-154.9 45.8 73.1 26.3 6.4 11.5 66 66 A P H 3> S+ 0 0 5 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.764 90.0 68.6 -49.1 -32.4 29.5 4.4 12.2 67 67 A A H 3> S+ 0 0 1 1,-0.2 4,-2.0 2,-0.2 16,-0.1 0.905 102.4 45.4 -55.1 -46.2 30.0 3.9 8.5 68 68 A R H <> S+ 0 0 4 -3,-1.3 4,-2.6 14,-0.2 5,-0.3 0.852 110.3 54.5 -61.7 -37.7 30.7 7.7 8.2 69 69 A Q H X S+ 0 0 16 -4,-1.5 4,-2.0 -5,-0.2 -2,-0.2 0.910 109.9 47.0 -62.0 -40.5 32.9 7.5 11.2 70 70 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.925 113.3 47.7 -67.1 -40.7 34.9 4.7 9.5 71 71 A A H X>S+ 0 0 2 -4,-2.0 5,-2.3 1,-0.2 4,-0.6 0.969 113.7 46.6 -67.6 -48.3 35.2 6.7 6.2 72 72 A M H ><5S+ 0 0 50 -4,-2.6 3,-1.3 1,-0.2 -1,-0.2 0.896 111.2 51.2 -58.4 -45.9 36.3 9.9 7.9 73 73 A K H 3<5S+ 0 0 120 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.906 107.2 54.2 -60.8 -39.3 38.8 8.2 10.0 74 74 A A H 3<5S- 0 0 16 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.571 122.7-109.5 -73.3 -9.1 40.2 6.6 6.9 75 75 A G T <<5 + 0 0 46 -3,-1.3 -3,-0.2 -4,-0.6 -2,-0.1 0.564 63.3 156.1 90.8 11.0 40.6 10.1 5.3 76 76 A V < - 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