==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-JAN-02 1KRV . COMPND 2 MOLECULE: GALACTOSIDE O-ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR X.-G.WANG,L.R.OLSEN,S.L.RODERICK . 600 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23950.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 441 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 133 22.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 56 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 1 2 0 0 0 3 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 24 11 1 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 . 3 6 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 6 0 0 3 3 3 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 2 A N 0 0 178 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -65.1 -60.2 -15.2 -25.4 2 3 A M - 0 0 92 0, 0.0 5,-0.1 0, 0.0 0, 0.0 -0.748 360.0-124.9-157.0 95.6 -57.0 -17.4 -25.2 3 4 A P >> - 0 0 54 0, 0.0 3,-2.2 0, 0.0 4,-1.4 -0.072 23.5-113.1 -47.3 138.0 -56.7 -19.9 -22.3 4 5 A M H 3> S+ 0 0 43 1,-0.3 4,-1.4 2,-0.2 3,-0.1 0.788 114.8 55.2 -40.7 -43.4 -53.5 -19.8 -20.1 5 6 A T H 3> S+ 0 0 38 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.764 104.7 54.0 -68.4 -24.8 -52.3 -23.2 -21.3 6 7 A E H <> S+ 0 0 92 -3,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.841 103.9 54.3 -76.7 -35.2 -52.5 -22.1 -24.9 7 8 A R H X>S+ 0 0 58 -4,-1.4 5,-3.4 1,-0.2 4,-1.0 0.864 103.2 59.5 -65.4 -34.1 -50.3 -19.1 -24.3 8 9 A I H ><5S+ 0 0 10 -4,-1.4 3,-0.5 1,-0.2 120,-0.2 0.936 109.6 40.5 -56.8 -51.2 -47.7 -21.5 -22.8 9 10 A R H 3<5S+ 0 0 140 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.652 114.6 53.4 -73.2 -18.2 -47.4 -23.4 -26.0 10 11 A A H 3<5S- 0 0 55 -4,-1.1 -1,-0.2 -5,-0.1 -2,-0.2 0.582 113.8-119.8 -91.6 -12.0 -47.5 -20.2 -28.0 11 12 A G T <<5 + 0 0 3 -4,-1.0 -3,-0.2 -3,-0.5 2,-0.2 0.793 65.1 142.0 78.9 28.5 -44.7 -18.9 -25.9 12 13 A K < - 0 0 85 -5,-3.4 116,-0.4 -6,-0.1 -1,-0.2 -0.501 61.5 -83.6 -95.5 169.3 -46.8 -15.9 -24.7 13 14 A L + 0 0 22 -2,-0.2 2,-0.3 114,-0.1 114,-0.2 -0.422 61.0 162.6 -70.4 148.0 -46.7 -14.4 -21.2 14 15 A F B -A 126 0A 2 112,-2.0 112,-2.6 -2,-0.1 2,-0.3 -0.965 33.8-136.9-158.3 172.5 -48.9 -16.3 -18.7 15 16 A T - 0 0 41 -2,-0.3 3,-0.1 110,-0.2 110,-0.1 -0.942 14.2-146.3-133.7 153.0 -49.7 -16.9 -15.1 16 17 A D + 0 0 24 -2,-0.3 109,-0.0 1,-0.1 -2,-0.0 -0.191 61.9 107.4-122.5 46.7 -50.4 -20.3 -13.6 17 18 A M S S+ 0 0 132 4,-0.1 2,-0.3 5,-0.1 -1,-0.1 -0.154 80.1 46.8-109.6 38.5 -53.0 -20.0 -10.8 18 19 A C S > S+ 0 0 49 1,-0.1 3,-1.7 -3,-0.1 -3,-0.0 -0.968 74.8 55.5-162.7 176.2 -55.8 -21.6 -12.8 19 20 A E T 3 S- 0 0 95 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.859 122.1 -64.0 57.4 38.3 -57.0 -24.4 -15.1 20 21 A G T 3> S+ 0 0 23 -3,-0.1 4,-2.7 1,-0.1 -1,-0.3 0.517 105.3 126.9 67.7 4.4 -55.9 -27.0 -12.7 21 22 A L H <> S+ 0 0 10 -3,-1.7 4,-2.5 2,-0.2 5,-0.2 0.964 74.5 47.6 -57.6 -52.9 -52.2 -26.0 -13.0 22 23 A P H > S+ 0 0 32 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.935 111.2 52.5 -53.7 -45.3 -51.8 -25.6 -9.3 23 24 A E H > S+ 0 0 98 1,-0.2 4,-1.9 2,-0.2 3,-0.4 0.918 107.6 51.3 -55.4 -46.4 -53.5 -28.9 -8.8 24 25 A K H X S+ 0 0 108 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.930 106.5 54.4 -57.8 -46.7 -51.0 -30.5 -11.2 25 26 A R H X S+ 0 0 40 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.820 106.2 54.0 -56.7 -33.0 -48.1 -29.1 -9.3 26 27 A L H X S+ 0 0 64 -4,-1.6 4,-2.1 -3,-0.4 -1,-0.2 0.940 104.7 50.4 -69.2 -50.1 -49.4 -30.6 -6.1 27 28 A R H X S+ 0 0 133 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.926 117.1 44.6 -55.0 -41.0 -49.6 -34.2 -7.5 28 29 A G H X S+ 0 0 6 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.883 110.6 49.5 -71.1 -42.1 -46.1 -33.7 -8.7 29 30 A K H X S+ 0 0 18 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.775 109.7 57.7 -68.4 -22.8 -44.7 -32.1 -5.6 30 31 A T H X S+ 0 0 35 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.948 109.1 40.4 -70.6 -51.7 -46.3 -35.0 -3.7 31 32 A L H X S+ 0 0 38 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.877 113.5 57.0 -64.1 -36.7 -44.5 -37.8 -5.6 32 33 A M H X S+ 0 0 14 -4,-2.3 4,-2.5 1,-0.2 35,-0.2 0.892 106.1 49.0 -60.4 -41.2 -41.4 -35.6 -5.4 33 34 A Y H X S+ 0 0 65 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.898 109.1 51.4 -66.8 -43.2 -41.6 -35.5 -1.6 34 35 A E H X S+ 0 0 71 -4,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.911 112.7 49.3 -58.4 -42.5 -42.0 -39.3 -1.3 35 36 A F H >< S+ 0 0 2 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.929 111.8 44.4 -63.5 -50.3 -38.9 -39.6 -3.5 36 37 A N H 3< S+ 0 0 23 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.800 116.0 46.2 -68.9 -30.6 -36.6 -37.3 -1.6 37 38 A H H 3< S+ 0 0 46 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.514 86.8 118.1 -91.7 -2.3 -37.5 -38.6 1.8 38 39 A S S << S- 0 0 4 -3,-0.6 -3,-0.0 -4,-0.6 -4,-0.0 -0.355 71.9-107.6 -67.0 138.9 -37.3 -42.2 0.8 39 40 A H > - 0 0 40 1,-0.1 3,-3.1 -2,-0.1 7,-0.1 -0.397 27.5-113.4 -68.0 140.5 -34.6 -44.3 2.6 40 41 A P T 3 S+ 0 0 9 0, 0.0 -1,-0.1 0, 0.0 191,-0.1 0.763 116.9 55.7 -43.9 -32.6 -31.5 -45.3 0.5 41 42 A S T 3 S+ 0 0 68 1,-0.2 2,-2.5 2,-0.1 3,-0.4 0.591 77.8 94.8 -81.9 -8.6 -32.6 -49.0 0.6 42 43 A E <> + 0 0 64 -3,-3.1 4,-2.5 1,-0.2 -1,-0.2 -0.300 47.3 147.6 -78.0 56.7 -36.0 -48.3 -0.9 43 44 A V H > + 0 0 52 -2,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.878 67.4 44.1 -62.7 -42.5 -34.6 -49.1 -4.3 44 45 A E H > S+ 0 0 137 -3,-0.4 4,-2.0 2,-0.2 5,-0.3 0.932 114.8 48.8 -70.1 -44.6 -37.7 -50.6 -5.8 45 46 A K H > S+ 0 0 67 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.904 110.9 51.7 -60.2 -42.1 -40.0 -47.8 -4.4 46 47 A R H X S+ 0 0 22 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.905 109.2 51.2 -59.4 -44.1 -37.5 -45.2 -5.8 47 48 A E H X S+ 0 0 87 -4,-1.8 4,-0.9 1,-0.2 -1,-0.2 0.836 111.7 43.4 -66.7 -37.3 -37.6 -46.9 -9.2 48 49 A S H X S+ 0 0 72 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.718 110.3 61.2 -80.3 -17.9 -41.4 -46.9 -9.6 49 50 A L H X S+ 0 0 11 -4,-1.4 4,-2.2 -5,-0.3 -2,-0.2 0.904 103.5 45.8 -74.1 -39.4 -41.3 -43.4 -8.2 50 51 A I H X S+ 0 0 9 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.794 111.2 54.2 -73.4 -24.8 -39.3 -42.0 -11.1 51 52 A K H < S+ 0 0 116 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.876 114.0 42.4 -71.9 -36.1 -41.4 -43.9 -13.5 52 53 A E H < S+ 0 0 135 -4,-1.6 -2,-0.2 1,-0.1 -1,-0.2 0.817 113.8 48.1 -82.6 -30.7 -44.5 -42.2 -12.0 53 54 A M H < S+ 0 0 5 -4,-2.2 2,-0.3 -5,-0.1 22,-0.2 0.790 101.5 64.3 -85.4 -25.8 -43.3 -38.7 -11.6 54 55 A F S < S- 0 0 8 -4,-1.2 19,-0.3 -5,-0.2 3,-0.2 -0.682 80.8-125.8 -97.7 152.3 -41.7 -37.9 -15.0 55 56 A A S S+ 0 0 40 17,-1.2 2,-0.3 20,-1.0 21,-0.2 0.901 93.5 4.0 -59.7 -41.6 -43.7 -37.8 -18.3 56 57 A T B -b 76 0B 74 19,-1.6 21,-2.9 -3,-0.0 2,-0.4 -0.970 64.3-176.0-151.7 129.7 -41.4 -40.3 -19.9 57 58 A V - 0 0 34 -2,-0.3 21,-0.2 -3,-0.2 22,-0.1 -0.989 14.7-144.9-131.7 132.1 -38.5 -42.4 -18.7 58 59 A G > - 0 0 17 20,-1.7 3,-0.6 -2,-0.4 23,-0.2 -0.359 41.1 -75.0 -85.1 171.3 -36.2 -44.7 -20.7 59 60 A E T 3 S+ 0 0 111 1,-0.2 21,-2.9 -2,-0.1 22,-0.3 -0.222 111.1 25.7 -66.6 155.3 -34.7 -47.9 -19.4 60 61 A N T 3 S+ 0 0 97 19,-0.2 -1,-0.2 1,-0.2 2,-0.2 0.790 82.8 161.0 61.7 35.1 -31.8 -47.9 -16.9 61 62 A A < - 0 0 13 -3,-0.6 2,-0.3 19,-0.2 -1,-0.2 -0.500 16.0-177.4 -84.6 153.2 -32.5 -44.5 -15.5 62 63 A W E -g 82 0C 76 19,-2.0 21,-2.2 -2,-0.2 2,-0.5 -0.863 10.5-177.1-157.3 120.6 -31.2 -43.3 -12.2 63 64 A V E -g 83 0C 3 -2,-0.3 21,-0.2 19,-0.2 4,-0.1 -0.972 20.6-143.0-119.9 116.6 -31.7 -40.1 -10.3 64 65 A E - 0 0 10 19,-2.5 23,-0.3 -2,-0.5 22,-0.2 -0.684 45.1 -89.1 -77.9 118.7 -29.9 -39.5 -7.0 65 66 A P S S+ 0 0 9 0, 0.0 2,-0.1 0, 0.0 20,-0.1 -0.307 97.5 63.0 -71.8 160.8 -32.2 -37.7 -4.6 66 67 A P + 0 0 10 0, 0.0 20,-1.0 0, 0.0 21,-0.9 0.553 65.0 171.1 -79.7 160.9 -33.0 -35.1 -3.8 67 68 A V E -m 87 0D 1 -35,-0.2 2,-0.4 19,-0.2 21,-0.2 -0.992 14.4-157.8-132.1 137.5 -34.6 -33.9 -7.1 68 69 A Y E +m 88 0D 14 19,-3.2 21,-3.1 -2,-0.4 2,-0.3 -0.969 21.8 147.9-124.8 132.9 -36.6 -30.7 -7.6 69 70 A F E -m 89 0D 1 -2,-0.4 21,-0.2 19,-0.2 -37,-0.1 -0.928 44.3-126.3-148.6 171.8 -39.1 -29.9 -10.3 70 71 A S S S- 0 0 8 19,-1.0 -41,-0.2 -2,-0.3 -42,-0.1 0.911 98.7 -15.2 -89.0 -50.4 -42.3 -27.9 -10.9 71 72 A Y - 0 0 5 20,-0.2 21,-0.1 -43,-0.1 -2,-0.1 0.654 69.3-154.1-120.0 -47.6 -44.6 -30.5 -12.4 72 73 A G S > S+ 0 0 0 19,-0.2 -17,-1.2 17,-0.1 3,-1.1 -0.090 78.4 86.9 94.6 -34.9 -42.4 -33.4 -13.4 73 74 A S T 3 S+ 0 0 55 -19,-0.3 -19,-0.1 1,-0.2 21,-0.1 0.376 80.2 60.5 -79.9 2.5 -44.9 -34.5 -16.1 74 75 A N T 3 S+ 0 0 31 17,-0.2 21,-2.4 19,-0.1 2,-0.6 0.260 85.5 99.8-107.1 5.9 -43.4 -32.1 -18.7 75 76 A I E < - c 0 95B 0 -3,-1.1 -19,-1.6 19,-0.2 -20,-1.0 -0.853 52.5-171.2-101.4 123.7 -40.1 -33.9 -18.4 76 77 A H E -bc 56 96B 62 19,-3.1 21,-3.4 -2,-0.6 2,-0.4 -0.964 7.6-175.7-116.9 122.9 -39.1 -36.5 -21.0 77 78 A I E - c 0 97B 5 -21,-2.9 -19,-0.3 -2,-0.5 21,-0.2 -0.944 9.9-149.5-123.4 142.1 -36.0 -38.6 -20.5 78 79 A G - 0 0 14 20,-1.0 -20,-1.7 19,-0.9 3,-0.4 0.333 42.3 -46.1 -84.2-145.8 -34.3 -41.2 -22.6 79 80 A R S S+ 0 0 82 1,-0.2 21,-2.7 -22,-0.1 22,-0.5 -0.552 111.2 10.2 -93.0 155.0 -32.2 -44.3 -21.9 80 81 A N S S+ 0 0 48 -21,-2.9 2,-0.4 -2,-0.2 -1,-0.2 0.870 81.1 175.8 46.4 47.3 -29.4 -44.8 -19.4 81 82 A F - 0 0 1 -3,-0.4 -19,-2.0 -22,-0.3 2,-0.4 -0.659 9.2-174.6 -83.7 134.1 -30.1 -41.4 -17.8 82 83 A Y E +gh 62 102C 82 19,-2.3 21,-2.5 -2,-0.4 2,-0.4 -0.985 7.2 175.6-134.2 126.7 -28.0 -40.5 -14.8 83 84 A A E -gh 63 103C 0 -21,-2.2 -19,-2.5 -2,-0.4 21,-0.2 -0.992 16.2-148.4-128.1 134.8 -28.3 -37.5 -12.5 84 85 A N - 0 0 19 19,-2.1 3,-0.3 -2,-0.4 -20,-0.1 0.002 50.6 -36.1 -84.6-163.2 -26.4 -36.8 -9.3 85 86 A F S S+ 0 0 0 1,-0.2 21,-2.9 -22,-0.1 22,-0.2 -0.131 116.2 9.9 -59.0 150.7 -27.6 -34.8 -6.2 86 87 A N + 0 0 3 -20,-1.0 21,-0.8 -22,-0.2 2,-0.5 0.905 68.1 177.5 49.0 59.2 -29.9 -31.8 -6.4 87 88 A L E -mn 67 107D 4 -21,-0.9 -19,-3.2 -23,-0.3 2,-0.5 -0.817 11.2-162.6 -90.1 127.4 -31.0 -31.7 -10.0 88 89 A T E +mn 68 108D 0 19,-2.7 21,-3.2 -2,-0.5 2,-0.4 -0.962 12.6 176.5-114.0 127.9 -33.5 -28.8 -10.4 89 90 A I E -mn 69 109D 2 -21,-3.1 2,-1.1 -2,-0.5 -19,-1.0 -0.942 16.8-159.4-134.6 110.5 -35.8 -28.7 -13.4 90 91 A V E + n 0 110D 7 19,-3.3 21,-1.9 -2,-0.4 2,-0.5 -0.804 20.1 176.9 -90.2 104.4 -38.4 -26.0 -13.7 91 92 A D + 0 0 0 -2,-1.1 -19,-0.2 1,-0.2 -17,-0.2 -0.591 28.8 141.5-114.4 71.0 -40.8 -27.5 -16.1 92 93 A D S S+ 0 0 10 -2,-0.5 2,-0.3 2,-0.1 -1,-0.2 0.581 88.0 18.3 -78.2 -11.4 -43.7 -25.3 -16.7 93 94 A Y S S- 0 0 50 -3,-0.2 18,-0.1 36,-0.1 38,-0.1 -0.893 114.1 -43.6-146.6 176.7 -43.3 -26.6 -20.2 94 95 A T - 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