==== 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 04-JAN-02 1KQA . 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) . 24280.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 428 71.3 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 . 42 7.0 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 . 1 0.2 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 . 53 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 14.5 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 1 0 2 1 0 0 0 3 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 25 12 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 . 5 4 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 4 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 0 215 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 107.8 -58.9 -14.8 -26.5 2 3 A M - 0 0 60 3,-0.0 5,-0.1 4,-0.0 0, 0.0 -0.776 360.0-128.3-166.0 115.0 -56.5 -17.5 -25.2 3 4 A P > - 0 0 47 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.033 35.2-107.6 -54.6 170.6 -56.2 -19.6 -21.9 4 5 A M H > S+ 0 0 42 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.763 119.1 64.1 -70.4 -26.7 -53.0 -19.7 -20.1 5 6 A T H > S+ 0 0 44 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.938 108.4 38.9 -61.8 -46.8 -52.7 -23.3 -21.3 6 7 A E H > S+ 0 0 87 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.741 110.7 61.0 -72.3 -29.2 -52.4 -22.1 -24.9 7 8 A R H X>S+ 0 0 81 -4,-1.3 5,-1.7 2,-0.2 4,-0.8 0.872 103.2 49.8 -68.8 -37.9 -50.3 -19.1 -23.9 8 9 A I H ><5S+ 0 0 13 -4,-2.0 3,-0.7 1,-0.2 120,-0.2 0.923 112.9 46.7 -65.4 -43.8 -47.5 -21.3 -22.5 9 10 A R H 3<5S+ 0 0 141 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.860 111.6 52.6 -64.1 -37.6 -47.6 -23.4 -25.7 10 11 A A H 3<5S- 0 0 55 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.603 112.5-118.5 -76.4 -12.9 -47.5 -20.2 -27.7 11 12 A G T <<5S+ 0 0 4 -4,-0.8 -3,-0.2 -3,-0.7 -4,-0.1 0.487 70.3 135.8 87.3 1.3 -44.5 -18.8 -25.9 12 13 A K < - 0 0 70 -5,-1.7 116,-0.3 -6,-0.2 -1,-0.3 -0.367 64.9 -84.0 -79.9 161.9 -46.6 -15.9 -24.6 13 14 A L + 0 0 22 114,-0.1 2,-0.3 -3,-0.1 114,-0.2 -0.262 58.8 160.1 -64.6 152.6 -46.5 -14.6 -21.1 14 15 A F B -A 126 0A 1 112,-1.9 112,-2.2 -3,-0.1 2,-0.3 -0.942 32.9-135.1-160.0 177.3 -48.8 -16.3 -18.5 15 16 A T - 0 0 32 -2,-0.3 3,-0.1 110,-0.2 110,-0.1 -0.976 15.3-141.4-141.8 148.7 -49.4 -17.0 -14.8 16 17 A D + 0 0 25 -2,-0.3 109,-0.0 1,-0.2 -2,-0.0 -0.044 65.8 105.5-111.2 37.8 -50.2 -20.4 -13.3 17 18 A M S S+ 0 0 132 4,-0.1 2,-0.3 5,-0.1 -1,-0.2 -0.123 82.4 38.6-104.0 38.0 -52.8 -20.0 -10.6 18 19 A C S > S+ 0 0 51 -3,-0.1 3,-1.4 1,-0.1 -3,-0.0 -0.964 79.1 60.3-166.2 176.4 -55.7 -21.4 -12.6 19 20 A E T 3 S- 0 0 91 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.733 120.1 -68.5 63.4 26.4 -56.8 -24.0 -15.2 20 21 A G T 3> S+ 0 0 30 1,-0.0 4,-2.3 3,-0.0 -1,-0.3 0.343 104.8 123.5 79.2 -6.5 -55.8 -26.8 -12.7 21 22 A L H X> S+ 0 0 14 -3,-1.4 4,-2.8 1,-0.2 3,-0.5 0.951 72.2 52.0 -52.0 -58.4 -52.1 -26.0 -13.0 22 23 A P H 3> S+ 0 0 27 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.904 111.7 48.2 -44.8 -45.1 -51.6 -25.5 -9.3 23 24 A E H 3> S+ 0 0 134 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.846 109.4 52.1 -68.7 -30.9 -53.3 -28.9 -8.7 24 25 A K H < S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.968 112.3 48.3 -65.9 -51.1 -38.8 -39.5 -3.5 36 37 A N H 3< S+ 0 0 19 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.760 116.1 42.3 -62.6 -28.6 -36.6 -36.9 -1.8 37 38 A H T 3< S+ 0 0 42 -4,-2.1 -1,-0.3 -5,-0.2 2,-0.2 0.224 88.1 120.5-104.8 16.0 -37.3 -38.3 1.7 38 39 A S < - 0 0 3 -3,-1.5 -3,-0.0 -4,-0.2 -4,-0.0 -0.512 69.8-106.9 -80.5 146.5 -37.0 -42.0 0.8 39 40 A H > - 0 0 44 -2,-0.2 3,-2.7 1,-0.1 7,-0.2 -0.455 27.5-116.9 -72.3 139.3 -34.4 -44.2 2.5 40 41 A P T 3 S+ 0 0 13 0, 0.0 -1,-0.1 0, 0.0 191,-0.1 0.693 115.5 58.1 -50.9 -17.4 -31.5 -45.2 0.4 41 42 A S T 3 S+ 0 0 64 1,-0.2 2,-3.2 2,-0.1 3,-0.4 0.651 76.4 92.4 -88.6 -17.0 -32.6 -48.8 0.7 42 43 A E <> + 0 0 82 -3,-2.7 4,-2.3 1,-0.2 -1,-0.2 -0.272 50.8 148.6 -73.2 58.2 -36.0 -48.1 -0.7 43 44 A V H > + 0 0 65 -2,-3.2 4,-1.9 2,-0.2 -1,-0.2 0.935 65.1 46.5 -59.4 -55.0 -34.6 -49.1 -4.1 44 45 A E H >> S+ 0 0 144 -3,-0.4 4,-2.2 1,-0.2 3,-0.7 0.974 113.9 49.1 -53.0 -57.8 -37.7 -50.5 -5.7 45 46 A K H 3> S+ 0 0 79 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.883 108.8 53.2 -48.5 -47.6 -39.8 -47.6 -4.6 46 47 A R H 3X S+ 0 0 17 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.841 109.3 49.2 -59.1 -36.3 -37.3 -45.1 -5.9 47 48 A E H S+ 0 0 0 17,-0.2 3,-1.4 19,-0.1 -17,-1.0 -0.096 79.7 84.0 82.4 -38.9 -42.2 -33.4 -13.4 73 74 A S T 3 S+ 0 0 49 -2,-0.6 -19,-0.1 -19,-0.3 -1,-0.1 0.352 80.8 61.8 -79.8 7.5 -44.7 -34.5 -16.1 74 75 A N T 3 S+ 0 0 27 17,-0.1 21,-2.6 19,-0.1 2,-0.5 0.285 87.6 93.3-109.3 2.6 -43.3 -32.0 -18.6 75 76 A I E < - c 0 95B 0 -3,-1.4 -20,-1.6 19,-0.2 -19,-1.5 -0.861 54.9-170.3-103.4 131.2 -39.9 -33.8 -18.5 76 77 A H E -bc 56 96B 67 19,-2.7 21,-2.5 -2,-0.5 2,-0.4 -0.983 6.5-169.2-121.7 122.5 -39.1 -36.5 -20.9 77 78 A I E - c 0 97B 5 -21,-2.5 -19,-0.2 -2,-0.5 21,-0.2 -0.904 9.4-146.8-116.5 141.4 -36.0 -38.6 -20.4 78 79 A G - 0 0 13 20,-1.1 -20,-2.5 19,-0.6 3,-0.3 0.316 43.5 -61.4 -78.7-146.9 -34.3 -41.0 -22.8 79 80 A R S S+ 0 0 124 1,-0.2 21,-2.6 -22,-0.1 22,-0.4 -0.698 109.1 22.1-106.4 158.9 -32.4 -44.2 -21.7 80 81 A N S S+ 0 0 63 -21,-2.5 2,-0.4 -2,-0.3 -1,-0.2 0.844 80.5 168.0 57.3 40.1 -29.3 -44.7 -19.5 81 82 A F - 0 0 2 -3,-0.3 -19,-3.2 -22,-0.3 2,-0.4 -0.691 15.0-175.4 -88.0 130.2 -29.9 -41.3 -17.9 82 83 A Y E +gh 62 102C 75 19,-2.3 21,-2.5 -2,-0.4 2,-0.4 -0.972 5.6 176.4-130.0 118.6 -27.9 -40.5 -14.8 83 84 A A E -gh 63 103C 0 -21,-2.9 -19,-2.2 -2,-0.4 21,-0.2 -0.975 17.3-148.9-119.4 133.4 -28.4 -37.4 -12.7 84 85 A N - 0 0 16 19,-2.2 3,-0.5 -2,-0.4 23,-0.2 -0.175 48.4 -30.3 -88.4-173.2 -26.4 -36.8 -9.5 85 86 A F S S+ 0 0 0 1,-0.2 21,-2.2 20,-0.1 22,-0.3 0.069 118.5 5.4 -40.3 141.2 -27.5 -34.9 -6.4 86 87 A N + 0 0 6 -20,-0.9 21,-0.4 -22,-0.4 2,-0.3 0.817 68.9 179.8 52.7 44.8 -29.8 -32.0 -6.5 87 88 A L E -m 67 0D 1 -21,-0.8 -19,-2.7 -3,-0.5 2,-0.5 -0.597 11.7-160.7 -71.5 133.3 -30.9 -31.9 -10.1 88 89 A T E +mn 68 108D 0 19,-2.8 21,-4.2 -2,-0.3 2,-0.5 -0.980 12.5 179.2-120.1 126.2 -33.3 -28.9 -10.4 89 90 A I E -mn 69 109D 0 -21,-3.6 2,-1.4 -2,-0.5 -19,-1.0 -0.899 16.7-160.6-131.7 107.1 -35.7 -28.7 -13.3 90 91 A V E + n 0 110D 5 19,-2.9 21,-2.1 -2,-0.5 2,-0.7 -0.684 21.6 174.1 -85.3 94.1 -38.1 -25.9 -13.7 91 92 A D + 0 0 0 -2,-1.4 -19,-0.1 1,-0.2 -17,-0.1 -0.495 26.5 142.0-106.2 65.0 -40.5 -27.5 -16.1 92 93 A D S S+ 0 0 16 -2,-0.7 2,-0.3 35,-0.1 -1,-0.2 0.723 86.9 18.4 -69.6 -19.8 -43.4 -25.2 -16.5 93 94 A Y S S- 0 0 51 -3,-0.3 18,-0.2 1,-0.1 38,-0.2 -0.940 113.7 -46.5-144.4 165.8 -43.1 -26.4 -20.1 94 95 A T - 0 0 35 -2,-0.3 37,-1.2 36,-0.1 2,-0.4 0.140 43.3-174.2 -38.1 134.4 -41.5 -29.4 -21.9 95 96 A V E -cd 75 131B 0 -21,-2.6 -19,-2.7 35,-0.2 2,-0.4 -0.999 6.5-165.9-132.7 129.0 -38.0 -30.5 -21.3 96 97 A T E -cd 76 132B 59 35,-2.3 37,-3.0 -2,-0.4 2,-0.4 -0.980 6.3-177.1-124.2 128.3 -36.4 -33.2 -23.4 97 98 A I E -cd 77 133B 6 -21,-2.5 -19,-0.6 -2,-0.4 37,-0.1 -0.958 15.1-143.5-123.1 139.6 -33.3 -35.1 -22.6 98 99 A G - 0 0 10 36,-1.0 -20,-1.1 35,-1.0 3,-0.4 0.229 36.6 -61.5 -82.9-152.3 -31.7 -37.7 -24.9 99 100 A D S S+ 0 0 33 1,-0.2 37,-3.2 -21,-0.2 38,-0.2 -0.712 109.9 16.5-100.3 150.4 -29.9 -41.0 -24.1 100 101 A N S S+ 0 0 45 -21,-2.6 2,-0.4 -2,-0.3 -1,-0.2 0.822 80.8 163.1 61.3 34.4 -26.7 -41.5 -22.2 101 102 A V - 0 0 1 -3,-0.4 -19,-2.3 -22,-0.4 2,-0.5 -0.710 22.1-160.3 -87.2 131.2 -27.0 -38.0 -20.7 102 103 A L E -hi 82 138C 14 35,-2.4 37,-3.1 -2,-0.4 2,-0.5 -0.964 5.0-168.9-116.2 124.5 -24.8 -37.5 -17.6 103 104 A I E -hi 83 139C 4 -21,-2.5 -19,-2.2 -2,-0.5 37,-0.2 -0.964 11.9-144.9-120.1 119.1 -25.6 -34.6 -15.1 104 105 A A - 0 0 15 35,-3.0 3,-0.2 -2,-0.5 -20,-0.2 -0.127 43.3 -67.1 -69.2 172.1 -23.1 -33.7 -12.4 105 106 A P S S+ 0 0 4 0, 0.0 37,-1.3 0, 0.0 38,-0.3 -0.226 110.3 19.4 -63.4 153.6 -24.4 -32.5 -9.0 106 107 A N S S+ 0 0 16 -21,-2.2 36,-0.7 35,-0.2 2,-0.4 0.942 77.8 157.2 51.3 65.1 -26.2 -29.2 -8.5 107 108 A V - 0 0 0 -21,-0.4 -19,-2.8 -22,-0.3 2,-0.5 -0.928 26.6-154.6-118.2 138.9 -27.4 -28.5 -12.0 108 109 A T E -no 88 144D 0 35,-2.4 37,-2.4 -2,-0.4 2,-0.4 -0.953 6.7-169.8-118.6 123.9 -30.4 -26.3 -12.7 109 110 A L E -no 89 145D 1 -21,-4.2 -19,-2.9 -2,-0.5 2,-0.3 -0.902 9.5-178.6-107.6 141.1 -32.5 -26.6 -15.8 110 111 A S E +n 90 0D 9 35,-2.4 -19,-0.1 -2,-0.4 19,-0.1 -0.877 28.6 172.2-147.2 114.8 -35.1 -23.8 -16.6 111 112 A V S S+ 0 0 0 -21,-2.1 18,-2.6 -2,-0.3 2,-0.3 0.672 73.3 80.3 -83.8 -16.3 -37.6 -23.4 -19.4 112 113 A T E +Q 128 0E 14 -22,-0.5 2,-0.3 16,-0.2 16,-0.2 -0.615 48.1 150.1 -99.6 148.5 -39.0 -20.5 -17.5 113 114 A G E -Q 127 0E 3 14,-1.7 14,-1.5 -2,-0.3 482,-0.0 -0.873 33.4-115.4-153.7-176.5 -38.0 -16.9 -17.1 114 115 A H - 0 0 22 -2,-0.3 12,-0.2 12,-0.2 7,-0.1 -0.950 37.4 -90.3-132.9 147.3 -39.6 -13.5 -16.5 115 116 A P - 0 0 0 0, 0.0 479,-0.1 0, 0.0 480,-0.1 -0.317 33.5-133.1 -51.0 142.1 -39.9 -10.3 -18.5 116 117 A V S S+ 0 0 28 478,-0.4 2,-0.4 477,-0.2 478,-0.1 0.889 88.0 85.2 -65.9 -37.7 -36.9 -8.1 -17.7 117 118 A H S >> S- 0 0 16 473,-0.5 3,-2.2 476,-0.2 4,-0.6 -0.500 74.7-147.5 -70.8 119.7 -39.3 -5.2 -17.4 118 119 A H T 34 S+ 0 0 43 -2,-0.4 3,-0.3 438,-0.3 6,-0.2 0.683 97.8 64.5 -59.4 -13.4 -40.7 -5.0 -13.9 119 120 A E T 34 S+ 0 0 78 1,-0.2 3,-0.5 2,-0.1 -1,-0.3 0.692 97.7 53.0 -84.0 -20.0 -43.8 -3.7 -15.6 120 121 A L T <4 S+ 0 0 32 -3,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.526 110.9 47.1 -90.5 -12.2 -44.4 -6.8 -17.4 121 122 A R >< + 0 0 10 -4,-0.6 3,-1.9 -3,-0.3 -1,-0.2 -0.161 62.3 132.3-124.0 38.4 -44.3 -8.9 -14.3 122 123 A K T 3 S+ 0 0 131 -3,-0.5 -1,-0.1 1,-0.3 -2,-0.1 0.875 92.7 30.6 -55.1 -35.8 -46.5 -6.9 -11.9 123 124 A N T 3 S- 0 0 132 -3,-0.2 -1,-0.3 379,-0.0 -2,-0.1 0.055 130.1 -94.0-110.4 21.4 -48.1 -10.3 -11.2 124 125 A G < - 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