==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-DEC-08 3FIX . COMPND 2 MOLECULE: N-ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPLASMA ACIDOPHILUM; . AUTHOR E.V.FILIPPOVA,G.MINASOV,L.SHUVALOVA,O.KIRYUKHINA,S.CLANCY, . 644 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36237.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 502 78.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 156 24.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.6 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 . 37 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 221 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 2 2 0 4 4 0 0 1 5 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 2 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 -5 A Y 0 0 58 0, 0.0 253,-0.1 0, 0.0 290,-0.0 0.000 360.0 360.0 360.0 -70.0 -19.0 -13.3 17.3 2 -4 A F - 0 0 40 252,-0.0 104,-0.0 4,-0.0 5,-0.0 0.635 360.0-157.0-138.1 -36.8 -19.6 -13.6 13.5 3 -3 A Q + 0 0 125 1,-0.1 0, 0.0 3,-0.0 0, 0.0 0.616 63.7 112.0 58.2 17.4 -23.1 -12.5 12.3 4 -2 A S S S- 0 0 5 2,-0.2 -1,-0.1 100,-0.1 3,-0.1 0.008 84.7-121.2-109.0 23.7 -22.7 -14.7 9.2 5 -1 A N S S+ 0 0 49 1,-0.1 2,-0.3 2,-0.1 71,-0.0 0.779 78.3 104.0 36.8 49.0 -25.4 -17.3 10.2 6 0 A A - 0 0 7 1,-0.0 -2,-0.2 3,-0.0 -1,-0.1 -0.992 68.3-141.5-155.1 138.3 -22.9 -20.2 10.1 7 1 A X S S+ 0 0 8 -2,-0.3 2,-0.3 1,-0.2 -2,-0.1 0.492 90.7 33.2 -82.2 -1.0 -20.9 -22.3 12.7 8 2 A S - 0 0 19 2,-0.0 69,-2.9 237,-0.0 2,-0.5 -0.965 56.4-167.4-157.1 143.0 -17.8 -22.4 10.5 9 3 A I E +A 76 0A 62 -2,-0.3 2,-0.3 67,-0.2 67,-0.2 -0.983 29.1 173.9-129.8 110.0 -16.0 -20.0 8.1 10 4 A E E -A 75 0A 98 65,-2.7 65,-3.3 -2,-0.5 2,-0.4 -0.938 29.3-146.1-140.1 160.0 -13.3 -21.6 6.1 11 5 A I E +A 74 0A 33 -2,-0.3 2,-0.3 63,-0.2 63,-0.2 -0.928 31.3 141.8-116.8 125.3 -10.7 -21.3 3.3 12 6 A R E -A 73 0A 104 61,-1.5 61,-2.8 -2,-0.4 2,-0.1 -0.931 54.6 -72.9-150.4 168.8 -9.6 -24.1 1.0 13 7 A K E -A 72 0A 44 -2,-0.3 59,-0.3 59,-0.3 2,-0.1 -0.423 53.3-107.0 -62.3 137.7 -8.7 -24.4 -2.7 14 8 A L - 0 0 0 57,-3.1 2,-0.2 -2,-0.1 57,-0.1 -0.409 36.1-157.1 -65.2 143.7 -11.4 -24.2 -5.2 15 9 A S > - 0 0 34 -2,-0.1 3,-1.8 -3,-0.1 4,-0.2 -0.736 35.4 -98.2-115.5 172.8 -12.3 -27.6 -6.8 16 10 A I G > S+ 0 0 94 1,-0.3 3,-0.9 -2,-0.2 4,-0.2 0.723 120.7 64.8 -69.2 -18.0 -14.0 -28.2 -10.1 17 11 A E G 3 S+ 0 0 116 1,-0.2 3,-0.4 2,-0.1 4,-0.3 0.658 92.0 62.7 -72.9 -19.6 -17.3 -28.7 -8.2 18 12 A D G <> S+ 0 0 20 -3,-1.8 4,-2.6 1,-0.2 5,-0.2 0.471 75.9 105.4 -79.2 -3.4 -17.3 -25.1 -7.0 19 13 A L H <> S+ 0 0 10 -3,-0.9 4,-2.0 -4,-0.2 -1,-0.2 0.850 77.3 41.0 -49.9 -51.7 -17.5 -23.9 -10.6 20 14 A E H > S+ 0 0 98 -3,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.949 117.4 46.5 -71.2 -43.5 -21.1 -22.8 -10.9 21 15 A T H > S+ 0 0 71 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.887 112.3 54.1 -64.4 -32.2 -21.3 -21.0 -7.5 22 16 A L H X S+ 0 0 0 -4,-2.6 4,-3.6 1,-0.2 5,-0.3 0.900 101.8 56.5 -69.9 -37.7 -18.0 -19.4 -8.4 23 17 A I H X S+ 0 0 8 -4,-2.0 4,-2.7 -5,-0.2 -1,-0.2 0.931 110.8 44.6 -57.7 -46.8 -19.3 -18.1 -11.6 24 18 A E H X S+ 0 0 117 -4,-1.6 4,-1.5 1,-0.2 -2,-0.2 0.948 115.9 45.6 -64.2 -47.7 -22.1 -16.3 -9.7 25 19 A V H X S+ 0 0 7 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.900 113.8 49.3 -66.2 -34.0 -19.8 -15.0 -7.0 26 20 A A H X S+ 0 0 0 -4,-3.6 4,-1.6 1,-0.2 -2,-0.2 0.948 104.3 59.6 -69.9 -43.7 -17.1 -13.9 -9.7 27 21 A R H X S+ 0 0 69 -4,-2.7 4,-1.5 -5,-0.3 -1,-0.2 0.879 111.4 40.0 -52.0 -37.8 -19.7 -12.1 -11.7 28 22 A E H X S+ 0 0 61 -4,-1.5 4,-2.4 2,-0.2 5,-0.4 0.892 101.7 66.9 -77.8 -41.1 -20.5 -9.8 -8.6 29 23 A S H X S+ 0 0 4 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.889 110.1 44.3 -43.8 -31.8 -16.9 -9.4 -7.5 30 24 A W H X S+ 0 0 11 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.929 104.9 54.5 -84.3 -47.8 -16.9 -7.5 -10.9 31 25 A K H X S+ 0 0 44 -4,-1.5 4,-0.7 1,-0.2 -2,-0.2 0.786 117.0 43.9 -55.0 -26.4 -20.1 -5.4 -10.8 32 26 A W H >< S+ 0 0 140 -4,-2.4 3,-0.5 2,-0.2 4,-0.4 0.910 106.1 55.9 -86.6 -49.6 -18.7 -4.1 -7.4 33 27 A T H 3< S+ 0 0 57 -4,-2.0 -2,-0.2 -5,-0.4 -1,-0.2 0.817 130.6 17.2 -52.3 -22.5 -15.2 -3.5 -8.4 34 28 A Y H >X S+ 0 0 54 -4,-1.7 3,-2.9 1,-0.1 4,-1.4 0.347 82.5 115.9-135.1 12.4 -16.7 -1.3 -11.2 35 29 A A T << S+ 0 0 61 -4,-0.7 -3,-0.1 -3,-0.5 -2,-0.1 0.864 86.4 49.1 -56.0 -32.7 -20.3 -0.3 -10.4 36 30 A G T 34 S+ 0 0 71 -4,-0.4 -1,-0.3 1,-0.1 -2,-0.1 0.299 120.1 33.8 -88.0 16.5 -19.2 3.3 -10.1 37 31 A I T <4 S+ 0 0 71 -3,-2.9 -2,-0.2 1,-0.2 -1,-0.1 0.664 101.9 53.0-135.3 -59.2 -17.3 3.3 -13.5 38 32 A Y S < S- 0 0 97 -4,-1.4 -1,-0.2 1,-0.1 2,-0.1 -0.364 83.9 -99.9 -84.5 167.4 -18.5 1.2 -16.4 39 33 A S > - 0 0 63 1,-0.1 4,-1.8 -2,-0.1 5,-0.2 -0.347 27.8-112.5 -79.5 165.1 -22.0 1.3 -17.8 40 34 A E H > S+ 0 0 158 2,-0.2 4,-2.7 3,-0.1 5,-0.2 0.960 120.1 52.3 -55.7 -51.3 -24.7 -1.3 -17.0 41 35 A E H > S+ 0 0 169 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.940 111.8 43.2 -49.5 -59.1 -24.5 -2.4 -20.7 42 36 A Y H > S+ 0 0 103 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.767 112.8 52.4 -63.8 -31.9 -20.7 -2.8 -20.7 43 37 A I H X S+ 0 0 10 -4,-1.8 4,-1.7 2,-0.2 5,-0.2 0.978 106.4 51.8 -70.5 -51.0 -20.6 -4.6 -17.3 44 38 A E H X S+ 0 0 95 -4,-2.7 4,-0.6 1,-0.2 -2,-0.2 0.803 117.0 43.2 -52.4 -32.1 -23.3 -7.2 -18.3 45 39 A S H >X S+ 0 0 62 -4,-1.5 3,-1.1 -5,-0.2 4,-1.0 0.953 107.1 54.3 -77.4 -59.5 -21.1 -7.9 -21.4 46 40 A W H 3X S+ 0 0 47 -4,-2.4 4,-2.3 1,-0.3 5,-0.3 0.778 101.6 60.6 -49.7 -34.1 -17.5 -8.0 -20.0 47 41 A I H 3X S+ 0 0 7 -4,-1.7 4,-3.2 2,-0.2 -1,-0.3 0.915 98.3 59.9 -62.5 -39.4 -18.5 -10.7 -17.4 48 42 A R H << S+ 0 0 196 -3,-1.1 -2,-0.2 -4,-0.6 -1,-0.2 0.934 111.0 39.1 -50.9 -53.7 -19.5 -13.0 -20.3 49 43 A E H >< S+ 0 0 118 -4,-1.0 3,-0.5 1,-0.1 -1,-0.2 0.871 124.9 35.9 -69.2 -39.2 -16.0 -12.9 -21.7 50 44 A K H 3< S+ 0 0 67 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.906 120.9 41.8 -88.0 -36.3 -14.0 -13.0 -18.4 51 45 A Y T 3< S+ 0 0 5 -4,-3.2 -1,-0.2 -5,-0.3 -2,-0.1 -0.151 79.3 144.4-105.2 45.6 -16.1 -15.2 -16.3 52 46 A S <> - 0 0 21 -3,-0.5 4,-2.4 1,-0.1 5,-0.2 -0.361 63.6-111.9 -71.9 157.9 -17.0 -17.9 -18.8 53 47 A K H > S+ 0 0 106 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.903 116.7 51.4 -57.7 -42.0 -17.3 -21.5 -17.7 54 48 A E H > S+ 0 0 137 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.901 110.4 45.2 -68.1 -42.3 -14.1 -22.4 -19.6 55 49 A K H > S+ 0 0 94 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.916 114.8 47.0 -71.2 -40.2 -11.8 -19.6 -18.3 56 50 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.883 113.9 50.1 -65.1 -33.7 -12.8 -20.1 -14.7 57 51 A L H X S+ 0 0 62 -4,-1.9 4,-2.3 -5,-0.2 5,-0.3 0.922 106.8 54.2 -70.0 -47.2 -12.4 -23.9 -15.2 58 52 A N H X S+ 0 0 79 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.924 111.7 45.8 -49.5 -42.2 -9.0 -23.3 -16.7 59 53 A E H X S+ 0 0 29 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.882 111.5 48.7 -75.3 -38.3 -8.0 -21.3 -13.6 60 54 A I H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.903 113.2 49.3 -67.2 -40.5 -9.4 -23.7 -10.9 61 55 A V H X S+ 0 0 61 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.940 110.2 49.8 -64.7 -46.9 -7.6 -26.7 -12.7 62 56 A R H <>S+ 0 0 85 -4,-2.0 5,-2.4 -5,-0.3 7,-0.6 0.768 112.9 47.0 -60.6 -32.9 -4.3 -24.8 -12.8 63 57 A S H ><5S+ 0 0 0 -4,-1.3 3,-1.4 3,-0.2 -2,-0.2 0.869 112.8 50.4 -73.5 -40.7 -4.6 -24.0 -9.1 64 58 A Q H 3<5S+ 0 0 87 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.821 109.4 51.2 -70.0 -26.9 -5.5 -27.6 -8.4 65 59 A S T 3<5S- 0 0 64 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.1 0.238 113.0-116.2 -90.4 9.2 -2.5 -28.8 -10.4 66 60 A N T < 5S+ 0 0 100 -3,-1.4 -3,-0.2 3,-0.1 -2,-0.1 0.911 75.5 122.9 52.6 51.2 -0.0 -26.5 -8.5 67 61 A L S S-AB 9 79A 2 3,-2.5 3,-2.7 -2,-0.4 -67,-0.2 -0.924 86.4 -32.0-100.7 119.3 -19.6 -20.2 5.4 77 71 A D T 3 S- 0 0 54 -69,-2.9 -1,-0.2 -2,-0.6 -68,-0.1 0.835 130.8 -36.7 32.4 55.1 -20.9 -23.6 6.3 78 72 A S T 3 S+ 0 0 89 1,-0.2 2,-0.5 -70,-0.1 -1,-0.3 0.472 115.6 115.7 81.9 -0.6 -20.5 -25.0 2.8 79 73 A T E < -B 76 0A 77 -3,-2.7 -3,-2.5 -58,-0.0 2,-0.5 -0.895 66.7-126.4-104.4 127.2 -21.5 -21.8 1.1 80 74 A L E +B 75 0A 9 -2,-0.5 -5,-0.3 -5,-0.2 3,-0.1 -0.563 39.9 158.8 -71.0 121.9 -19.0 -19.9 -1.1 81 75 A I E - 0 0 0 -7,-3.2 20,-2.7 -2,-0.5 2,-0.3 0.478 59.6 -2.8-122.4 -12.5 -18.9 -16.3 0.1 82 76 A G E -BC 74 100A 0 -8,-1.5 -8,-3.5 18,-0.2 -1,-0.4 -0.972 55.0-167.5-166.2 173.7 -15.5 -15.1 -1.1 83 77 A F E -BC 73 99A 1 16,-2.2 16,-2.8 -2,-0.3 2,-0.3 -0.953 11.9-147.6-159.8 171.6 -12.3 -15.9 -3.0 84 78 A I E -BC 72 98A 0 -12,-1.7 -12,-2.0 -2,-0.3 2,-0.4 -0.970 13.9-168.2-149.3 134.1 -8.8 -14.8 -3.9 85 79 A E E +BC 71 97A 1 12,-2.6 12,-1.8 -2,-0.3 11,-1.4 -0.993 6.6 179.3-131.8 134.8 -7.0 -15.5 -7.1 86 80 A L E -BC 70 95A 0 -16,-1.8 -16,-2.1 -2,-0.4 2,-0.4 -0.983 21.7-137.5-134.3 146.4 -3.3 -15.0 -7.8 87 81 A K E -BC 69 94A 81 7,-2.6 7,-2.9 -2,-0.3 2,-0.5 -0.886 17.4-159.9-102.5 136.2 -1.0 -15.6 -10.8 88 82 A I E + C 0 93A 15 -20,-2.1 2,-0.5 -2,-0.4 5,-0.2 -0.978 14.2 173.9-123.0 109.7 2.4 -17.1 -10.1 89 83 A I E > - C 0 92A 102 3,-1.7 3,-1.9 -2,-0.5 2,-0.1 -0.973 67.3 -50.8-116.2 112.4 5.1 -16.7 -12.7 90 84 A A T 3 S- 0 0 89 -2,-0.5 36,-0.0 1,-0.2 0, 0.0 -0.428 122.0 -19.0 60.5-131.4 8.5 -17.9 -11.4 91 85 A N T 3 S+ 0 0 83 -2,-0.1 36,-2.3 35,-0.1 37,-0.8 -0.003 123.0 82.3 -95.6 16.2 9.1 -16.3 -8.0 92 86 A K E < -Cd 89 128A 122 -3,-1.9 -3,-1.7 34,-0.2 2,-0.3 -0.913 58.4-158.5-118.9 160.6 6.7 -13.5 -8.3 93 87 A A E -Cd 88 129A 6 35,-1.9 37,-2.9 -2,-0.3 2,-0.5 -0.979 7.2-154.7-133.6 152.6 2.9 -13.3 -7.8 94 88 A E E -Cd 87 130A 61 -7,-2.9 -7,-2.6 -2,-0.3 2,-0.9 -0.987 17.0-139.3-126.2 127.8 0.1 -11.0 -9.0 95 89 A L E +Cd 86 131A 9 35,-3.0 37,-0.6 -2,-0.5 -9,-0.2 -0.825 25.2 177.0 -90.2 105.3 -3.0 -10.7 -7.0 96 90 A L E - 0 0 66 -11,-1.4 2,-0.3 -2,-0.9 -10,-0.2 0.798 60.4 -5.7 -79.5 -39.3 -5.7 -10.7 -9.7 97 91 A R E -C 85 0A 51 -12,-1.8 -12,-2.6 -3,-0.1 2,-0.4 -0.932 47.3-175.3-163.9 146.5 -8.7 -10.5 -7.5 98 92 A L E +C 84 0A 31 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.997 23.2 168.4-139.6 126.5 -9.9 -10.6 -3.9 99 93 A Y E -C 83 0A 21 -16,-2.8 -16,-2.2 -2,-0.4 2,-0.4 -0.955 21.6-178.4-150.8 139.4 -13.6 -10.6 -3.0 100 94 A L E -C 82 0A 22 -2,-0.3 -18,-0.2 -18,-0.2 5,-0.1 -0.970 40.4-108.3-123.6 139.3 -16.1 -11.1 -0.3 101 95 A K > - 0 0 66 -20,-2.7 3,-2.3 -2,-0.4 4,-0.1 -0.431 35.1-115.8 -59.2 139.3 -19.9 -10.8 -0.6 102 96 A P G > S+ 0 0 62 0, 0.0 3,-2.7 0, 0.0 -1,-0.1 0.888 114.7 60.3 -40.5 -51.7 -21.1 -7.6 1.1 103 97 A E G 3 S+ 0 0 130 1,-0.3 -2,-0.1 2,-0.1 -22,-0.0 0.667 114.8 35.5 -56.8 -21.3 -23.1 -9.6 3.7 104 98 A Y G < S+ 0 0 48 -3,-2.3 2,-2.4 -23,-0.2 -1,-0.3 0.055 77.0 136.2-118.7 22.1 -19.8 -11.2 4.8 105 99 A T < + 0 0 78 -3,-2.7 2,-0.6 -5,-0.1 -2,-0.1 -0.304 21.4 146.1 -78.1 61.8 -17.5 -8.2 4.4 106 100 A H >> - 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