==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-MAY-05 2BSZ . COMPND 2 MOLECULE: ARYLAMINE N-ACETYLTRANSFERASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: RHIZOBIUM LOTI; . AUTHOR S.J.HOLTON,J.DAIROU,J.SANDY,F.RODRIGUES-LIMA,J.-M.DUPRET, . 531 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22739.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 357 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 123 23.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 1.9 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 . 39 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 24.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 3.4 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 4 0 0 0 4 2 2 0 0 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 6 2 2 7 1 4 0 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 2 0 0 0 2 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 6 A P 0 0 159 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 102.0 6.1 24.8 26.6 2 7 A F - 0 0 40 75,-0.1 2,-1.3 1,-0.0 3,-0.2 -0.752 360.0-138.9 -98.4 133.9 9.9 25.2 27.0 3 8 A D > + 0 0 81 -2,-0.4 4,-2.2 1,-0.2 3,-0.2 -0.671 25.8 174.2 -95.3 84.2 12.0 22.2 28.0 4 9 A L H > S+ 0 0 32 -2,-1.3 4,-2.5 1,-0.2 5,-0.2 0.886 75.9 55.8 -57.4 -46.5 14.4 23.8 30.5 5 10 A D H > S+ 0 0 102 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.886 109.6 45.4 -50.1 -51.2 16.0 20.4 31.4 6 11 A A H > S+ 0 0 23 -3,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.916 111.7 53.2 -64.3 -41.0 16.9 19.6 27.8 7 12 A Y H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.919 108.7 47.5 -61.6 -46.0 18.2 23.1 27.3 8 13 A L H X>S+ 0 0 0 -4,-2.5 5,-2.4 2,-0.2 4,-0.8 0.834 112.2 50.9 -67.3 -30.8 20.6 23.0 30.3 9 14 A A H ><5S+ 0 0 76 -4,-1.6 3,-0.8 -5,-0.2 -2,-0.2 0.929 105.3 56.7 -68.0 -45.3 21.8 19.6 29.2 10 15 A R H 3<5S+ 0 0 51 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.834 114.6 39.3 -52.5 -33.3 22.5 21.0 25.6 11 16 A I H 3<5S- 0 0 9 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.540 111.0-118.0-102.4 -1.6 24.7 23.7 27.2 12 17 A G T <<5 + 0 0 58 -3,-0.8 2,-0.7 -4,-0.8 -3,-0.2 0.701 58.5 154.3 80.8 20.3 26.4 21.5 29.8 13 18 A Y < + 0 0 23 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.744 14.0 160.8 -90.0 116.0 25.0 23.5 32.8 14 19 A T + 0 0 141 -2,-0.7 -1,-0.1 -5,-0.0 3,-0.1 0.330 40.9 109.6-113.6 4.8 24.7 21.5 36.0 15 20 A G S S- 0 0 27 1,-0.2 -2,-0.0 8,-0.1 8,-0.0 0.075 79.3 -53.0 -71.8-172.8 24.6 24.4 38.5 16 21 A P - 0 0 85 0, 0.0 2,-0.8 0, 0.0 -1,-0.2 -0.297 47.6-131.4 -64.3 145.7 21.7 25.7 40.6 17 22 A R + 0 0 128 -3,-0.1 2,-0.3 2,-0.1 -3,-0.0 -0.808 60.3 106.5-103.3 93.0 18.4 26.6 38.9 18 23 A N S S- 0 0 64 -2,-0.8 2,-0.4 2,-0.1 66,-0.1 -0.904 78.0 -95.9-158.9 177.3 17.3 30.0 40.1 19 24 A A S S+ 0 0 38 -2,-0.3 2,-0.2 64,-0.1 66,-0.1 -0.291 72.4 131.8-106.4 47.0 17.1 33.6 38.9 20 25 A S > - 0 0 38 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.557 68.7-117.9-100.0 159.0 20.4 34.8 40.4 21 26 A L H > S+ 0 0 42 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.873 116.2 57.1 -60.0 -39.7 23.3 36.8 39.0 22 27 A D H > S+ 0 0 127 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.920 109.8 45.4 -58.1 -44.2 25.6 33.9 39.5 23 28 A T H > S+ 0 0 3 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.940 110.3 52.6 -64.2 -46.5 23.3 31.7 37.4 24 29 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.895 111.6 48.2 -56.1 -42.6 23.0 34.4 34.6 25 30 A K H X S+ 0 0 100 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.877 111.2 48.4 -64.7 -42.3 26.7 34.6 34.5 26 31 A A H X S+ 0 0 35 -4,-1.9 4,-2.8 -5,-0.2 3,-0.4 0.939 115.3 45.9 -67.7 -41.8 27.2 30.8 34.3 27 32 A L H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.890 110.4 52.8 -66.2 -39.3 24.6 30.5 31.5 28 33 A H H < S+ 0 0 0 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.756 114.8 42.3 -68.0 -24.9 26.0 33.4 29.6 29 34 A F H X S+ 0 0 69 -4,-1.2 4,-0.5 -3,-0.4 -2,-0.2 0.900 117.7 44.8 -83.7 -46.3 29.4 31.8 29.7 30 35 A A H >X S+ 0 0 18 -4,-2.8 4,-1.8 1,-0.2 3,-0.5 0.834 103.6 63.0 -69.4 -39.9 28.2 28.2 28.9 31 36 A H H 3X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 3,-0.3 0.916 104.0 42.6 -57.8 -56.8 25.8 29.0 26.1 32 37 A P H 34 S+ 0 0 2 0, 0.0 176,-2.7 0, 0.0 -1,-0.2 0.582 114.0 54.3 -72.8 -8.6 28.1 30.4 23.4 33 38 A Q H << S+ 0 0 44 -3,-0.5 -2,-0.2 -4,-0.5 -3,-0.1 0.803 118.6 33.8 -81.7 -32.4 30.7 27.7 24.2 34 39 A A H < S+ 0 0 19 -4,-1.8 -3,-0.2 -3,-0.3 -4,-0.1 0.794 117.9 49.3 -92.4 -33.1 28.2 24.9 23.6 35 40 A I S < S- 0 0 1 -4,-2.7 -1,-0.2 -5,-0.2 173,-0.2 -0.951 81.3-139.9-118.1 113.0 26.0 26.4 20.8 36 41 A P - 0 0 1 0, 0.0 30,-1.6 0, 0.0 2,-0.5 -0.328 12.8-120.8 -72.1 151.8 27.8 27.8 17.8 37 42 A F E +aB 66 206A 6 169,-3.0 169,-2.3 28,-0.2 2,-0.3 -0.791 53.9 145.5 -80.7 130.4 26.9 30.9 15.9 38 43 A E E - B 0 205A 0 28,-1.9 167,-0.2 -2,-0.5 3,-0.1 -0.948 48.1-153.1-164.9 154.0 26.2 29.9 12.3 39 44 A N > + 0 0 0 165,-0.8 4,-2.8 -2,-0.3 5,-0.2 -0.214 48.4 134.8-119.1 37.8 24.0 30.7 9.3 40 45 A I H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 6,-0.2 0.960 73.7 48.1 -56.7 -48.9 24.1 27.2 7.7 41 46 A D H 4>S+ 0 0 13 1,-0.2 5,-2.8 2,-0.2 -1,-0.2 0.946 114.4 42.9 -59.4 -54.8 20.3 27.3 7.0 42 47 A P H >45S+ 0 0 0 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 0.890 112.8 54.7 -54.9 -42.1 20.1 30.8 5.5 43 48 A F H 3<5S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.892 110.1 46.6 -59.5 -40.7 23.3 30.1 3.4 44 49 A L T 3<5S- 0 0 17 -4,-2.4 -1,-0.3 -5,-0.2 -3,-0.1 0.315 121.2-109.2 -78.2 3.6 21.7 26.9 2.0 45 50 A G T < 5S+ 0 0 57 -3,-1.7 -2,-0.1 1,-0.3 -4,-0.1 0.727 73.2 138.3 70.6 24.6 18.4 28.8 1.3 46 51 A R < - 0 0 83 -5,-2.8 -1,-0.3 -6,-0.2 -2,-0.1 -0.759 56.2-103.3-102.2 152.0 16.4 27.1 4.0 47 52 A P - 0 0 73 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.366 20.3-138.6 -75.7 146.1 14.0 29.0 6.3 48 53 A V - 0 0 7 140,-0.1 2,-0.4 -2,-0.1 144,-0.1 -0.947 17.9-158.5-100.9 117.6 14.8 30.0 9.9 49 54 A R - 0 0 161 -2,-0.6 136,-0.0 1,-0.1 0, 0.0 -0.838 9.7-169.8 -94.6 134.5 11.7 29.4 12.1 50 55 A L + 0 0 14 -2,-0.4 -1,-0.1 4,-0.1 5,-0.1 0.472 47.3 115.8-102.5 -8.4 11.7 31.4 15.4 51 56 A D S > S- 0 0 82 1,-0.1 4,-2.0 4,-0.0 5,-0.2 -0.338 77.6-113.3 -63.5 148.5 8.7 29.7 17.2 52 57 A L H > S+ 0 0 26 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.819 111.8 50.9 -57.8 -39.6 9.8 27.9 20.3 53 58 A A H > S+ 0 0 68 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.930 111.9 48.5 -65.1 -44.4 9.1 24.2 19.2 54 59 A A H > S+ 0 0 28 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.871 110.7 51.9 -60.2 -37.6 11.1 24.8 16.0 55 60 A L H X>S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 5,-0.6 0.909 112.4 44.0 -66.5 -44.1 14.0 26.4 18.1 56 61 A Q H X>S+ 0 0 24 -4,-2.1 5,-2.8 3,-0.2 4,-0.9 0.906 112.2 53.4 -68.2 -42.4 14.2 23.4 20.5 57 62 A D H <>S+ 0 0 113 -4,-2.5 5,-1.8 -5,-0.2 -2,-0.2 0.935 117.9 36.2 -53.1 -50.6 13.9 20.9 17.6 58 63 A K H <5S+ 0 0 26 -4,-2.1 6,-2.1 3,-0.2 -2,-0.2 0.945 132.1 21.4 -71.7 -50.0 16.9 22.4 15.7 59 64 A I H <5S+ 0 0 0 -4,-2.4 4,-0.2 4,-0.2 -3,-0.2 0.875 130.5 31.4 -95.5 -43.8 19.2 23.5 18.5 60 65 A V T <> - 0 0 1 -2,-0.3 4,-2.3 -30,-0.2 3,-0.5 -0.327 65.8 -63.0-105.3-165.0 22.2 33.1 14.3 68 73 A C H 3> S+ 0 0 6 1,-0.3 4,-3.1 56,-0.2 5,-0.3 0.821 128.5 44.9 -56.2 -45.2 21.2 35.9 16.7 69 74 A F H 3> S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.900 116.0 48.8 -65.7 -35.1 17.4 35.5 16.9 70 75 A E H <> S+ 0 0 2 -3,-0.5 4,-1.7 2,-0.2 -2,-0.2 0.948 115.9 42.9 -70.6 -44.6 17.7 31.8 17.3 71 76 A H H X S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.940 119.9 40.6 -64.7 -49.1 20.3 32.2 20.1 72 77 A N H X S+ 0 0 0 -4,-3.1 4,-2.4 2,-0.2 -2,-0.2 0.843 112.4 52.4 -80.0 -32.1 18.6 35.0 21.9 73 78 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.942 113.4 47.1 -60.5 -44.4 15.1 33.8 21.7 74 79 A L H X S+ 0 0 0 -4,-1.7 4,-2.2 -5,-0.3 -2,-0.2 0.938 112.8 47.2 -60.1 -49.2 16.3 30.5 23.1 75 80 A F H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.881 110.9 54.3 -59.5 -38.9 18.3 32.2 25.9 76 81 A M H X S+ 0 0 12 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.941 107.7 47.9 -63.9 -48.2 15.2 34.3 26.7 77 82 A H H X S+ 0 0 25 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.916 113.3 48.7 -58.0 -42.8 12.9 31.3 27.0 78 83 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.937 112.3 47.5 -65.1 -44.2 15.4 29.6 29.3 79 84 A L H X>S+ 0 0 0 -4,-2.9 5,-2.7 1,-0.2 4,-0.6 0.909 112.0 50.4 -64.2 -42.2 15.9 32.7 31.4 80 85 A K H ><5S+ 0 0 103 -4,-2.9 3,-0.8 1,-0.2 -1,-0.2 0.884 108.7 52.0 -59.3 -40.4 12.2 33.1 31.7 81 86 A A H 3<5S+ 0 0 52 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.785 107.4 53.4 -67.3 -26.7 11.8 29.5 32.7 82 87 A L H 3<5S- 0 0 15 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.568 126.0-102.6 -85.4 -8.1 14.4 30.1 35.4 83 88 A G T <<5S+ 0 0 54 -3,-0.8 -3,-0.2 -4,-0.6 -64,-0.1 0.551 70.3 146.0 101.7 12.0 12.4 33.0 36.7 84 89 A F < - 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0 0 61 1,-0.1 4,-2.0 2,-0.0 5,-0.1 -0.765 66.7-174.9-150.0 96.5 23.1 18.6 3.2 254 261 A R H > S+ 0 0 81 -3,-0.3 4,-2.5 -2,-0.3 5,-0.2 0.854 83.4 46.1 -68.8 -37.2 26.7 18.3 2.3 255 262 A T H > S+ 0 0 110 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.901 112.5 50.0 -77.1 -41.4 26.4 18.4 -1.6 256 263 A A H > S+ 0 0 33 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.877 111.8 52.8 -57.9 -37.6 24.0 21.3 -1.5 257 264 A F H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.972 110.5 43.3 -60.0 -58.0 26.6 23.0 0.8 258 265 A E H X S+ 0 0 42 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.905 114.2 53.4 -58.5 -39.1 29.5 22.4 -1.6 259 266 A A H X S+ 0 0 43 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.881 110.1 46.1 -61.9 -39.2 27.3 23.5 -4.4 260 267 A K H X S+ 0 0 55 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.899 106.0 59.3 -69.2 -37.9 26.4 26.8 -2.6 261 268 A V H <>S+ 0 0 1 -4,-2.7 5,-1.1 1,-0.2 6,-0.6 0.834 108.9 46.3 -57.7 -35.2 30.1 27.4 -1.8 262 269 A R H ><5S+ 0 0 141 -4,-1.4 3,-0.6 -5,-0.2 -1,-0.2 0.934 110.1 50.9 -73.0 -47.5 30.7 27.4 -5.5 263 270 A E H 3<5S+ 0 0 128 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.1 0.910 117.3 40.2 -53.4 -48.0 27.8 29.7 -6.5 264 271 A T T 3<5S- 0 0 40 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.569 100.4-139.4 -78.7 -12.0 28.8 32.3 -3.9 265 272 A K T < 5 + 0 0 103 -3,-0.6 -3,-0.2 -4,-0.4 -4,-0.1 0.788 47.4 152.7 51.7 36.7 32.5 31.8 -4.7 266 273 A I S + 0 0 82 1,-0.2 4,-2.1 2,-0.1 5,-0.2 -0.669 360.0 179.1 -86.0 94.8 65.4 67.4 -8.2 272 9 B L H > S+ 0 0 30 -2,-1.3 4,-2.6 1,-0.2 5,-0.2 0.854 79.7 55.2 -66.0 -35.7 63.0 69.4 -6.1 273 10 B D H > S+ 0 0 94 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.913 108.0 47.5 -60.7 -48.4 61.4 71.0 -9.2 274 11 B A H > S+ 0 0 19 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.935 112.6 49.7 -61.4 -44.0 60.6 67.6 -10.7 275 12 B Y H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.938 110.6 48.2 -63.7 -46.6 59.1 66.3 -7.4 276 13 B L H X>S+ 0 0 1 -4,-2.6 5,-2.8 1,-0.2 4,-0.9 0.905 111.6 51.1 -63.7 -36.5 56.9 69.3 -6.9 277 14 B A H ><5S+ 0 0 79 -4,-2.2 3,-0.6 3,-0.2 -2,-0.2 0.923 105.9 56.4 -61.3 -41.8 55.7 69.0 -10.5 278 15 B R H 3<5S+ 0 0 50 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.891 115.4 36.6 -55.8 -39.3 54.9 65.3 -9.8 279 16 B I H 3<5S- 0 0 10 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.483 111.9-118.5 -96.7 -1.6 52.6 66.3 -6.9 280 17 B G T <<5 + 0 0 58 -4,-0.9 2,-0.6 -3,-0.6 -3,-0.2 0.831 54.4 160.9 74.7 30.9 51.3 69.4 -8.6 281 18 B Y < + 0 0 30 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.783 11.6 164.1 -93.4 125.4 52.6 71.8 -6.0 282 19 B T + 0 0 142 -2,-0.6 -1,-0.1 -5,-0.0 3,-0.1 0.434 43.4 95.9-118.6 -3.0 52.7 75.4 -7.3 283 20 B G S S- 0 0 26 1,-0.2 -2,-0.0 8,-0.1 8,-0.0 0.088 79.6 -44.0 -92.0-167.5 53.1 77.3 -4.1 284 21 B P - 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