==== 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 27-JUL-09 3IGJ . COMPND 2 MOLECULE: MALTOSE O-ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR N.MALTSEVA,Y.KIM,L.PAPAZISI,W.ANDERSON,A.JOACHIMIAK,CENTER F . 561 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21605.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 429 76.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 132 23.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 6.6 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 . 0 0.0 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 0.2 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 . 49 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 17.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.1 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 3 0 2 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 30 9 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 . 0 6 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 . 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 K 0 0 159 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.4 112.5 114.7 53.3 2 3 A T > - 0 0 63 1,-0.1 4,-2.1 11,-0.0 3,-0.3 -0.185 360.0-116.1 -75.3 159.5 111.1 111.8 55.4 3 4 A E H > S+ 0 0 25 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.885 122.0 57.4 -57.5 -37.0 111.2 108.1 54.7 4 5 A K H > S+ 0 0 52 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.831 103.3 54.0 -59.9 -32.7 107.4 108.4 54.4 5 6 A D H > S+ 0 0 71 -3,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.946 109.7 44.9 -67.7 -48.6 108.0 110.9 51.7 6 7 A K H X>S+ 0 0 54 -4,-2.1 5,-2.6 1,-0.2 4,-0.5 0.913 110.5 56.8 -60.7 -41.1 110.2 108.6 49.7 7 8 A X H ><5S+ 0 0 0 -4,-2.7 3,-1.4 1,-0.2 121,-0.3 0.942 109.2 43.4 -56.4 -51.7 107.7 105.8 50.3 8 9 A L H 3<5S+ 0 0 70 -4,-2.1 86,-0.3 1,-0.3 -1,-0.2 0.808 110.4 58.0 -65.7 -26.3 104.9 107.6 48.7 9 10 A A H 3<5S- 0 0 55 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.456 116.3-111.2 -85.4 -2.5 107.1 108.8 45.9 10 11 A G T <<5S+ 0 0 29 -3,-1.4 -3,-0.2 -4,-0.5 2,-0.2 0.666 76.1 129.9 82.5 16.5 108.0 105.3 44.9 11 12 A E S -A 125 0A 64 -2,-0.3 3,-1.8 111,-0.2 111,-0.2 -0.803 24.2-156.0 -91.0 111.8 113.6 102.4 55.2 15 16 A A T 3 S+ 0 0 13 109,-1.3 -1,-0.2 -2,-0.7 110,-0.1 0.784 89.9 55.5 -59.9 -29.1 110.8 100.2 56.3 16 17 A D T 3 S+ 0 0 106 108,-0.5 -1,-0.3 4,-0.1 109,-0.1 0.334 72.6 139.1 -96.1 8.5 111.7 100.5 60.0 17 18 A D <> - 0 0 45 -3,-1.8 4,-2.7 1,-0.1 5,-0.2 -0.198 64.1-117.6 -40.4 135.4 111.6 104.2 60.1 18 19 A E H > S+ 0 0 178 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.877 110.8 46.4 -52.4 -44.5 110.0 105.3 63.4 19 20 A E H > S+ 0 0 81 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.923 113.4 47.3 -69.1 -44.1 107.0 107.0 61.8 20 21 A L H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.930 110.0 53.4 -62.4 -47.2 106.2 104.3 59.3 21 22 A V H X S+ 0 0 50 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.916 110.3 46.9 -53.8 -47.2 106.5 101.6 62.0 22 23 A A H X S+ 0 0 55 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.873 109.5 55.2 -65.0 -36.9 104.0 103.4 64.2 23 24 A D H X S+ 0 0 26 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.953 109.8 45.5 -57.8 -48.7 101.7 103.9 61.3 24 25 A R H X S+ 0 0 47 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.857 112.4 51.3 -64.6 -37.3 101.7 100.2 60.6 25 26 A V H X S+ 0 0 39 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.890 111.0 47.4 -68.7 -41.4 101.1 99.4 64.3 26 27 A E H X S+ 0 0 126 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.930 110.4 53.8 -62.9 -44.4 98.2 101.8 64.5 27 28 A A H X S+ 0 0 4 -4,-2.6 4,-2.8 43,-0.2 -2,-0.2 0.927 110.0 45.9 -56.5 -48.3 96.7 100.3 61.3 28 29 A K H X S+ 0 0 33 -4,-2.3 4,-2.1 42,-0.2 -1,-0.2 0.917 113.0 50.5 -59.8 -44.0 96.8 96.7 62.6 29 30 A R H X S+ 0 0 123 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.912 114.9 42.3 -64.2 -43.3 95.3 97.8 65.9 30 31 A L H X S+ 0 0 33 -4,-2.8 4,-3.1 2,-0.2 -1,-0.2 0.863 109.3 58.8 -73.1 -37.3 92.4 99.7 64.2 31 32 A T H X S+ 0 0 4 -4,-2.8 4,-3.2 -5,-0.3 5,-0.2 0.894 102.9 52.9 -54.7 -45.5 91.9 96.9 61.6 32 33 A R H X S+ 0 0 60 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.928 111.4 46.8 -56.2 -47.2 91.2 94.5 64.5 33 34 A L H X S+ 0 0 98 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.924 114.0 47.8 -62.1 -46.7 88.6 96.9 65.9 34 35 A Y H X S+ 0 0 4 -4,-3.1 4,-2.9 2,-0.2 5,-0.2 0.949 111.1 50.0 -56.5 -49.7 87.1 97.3 62.4 35 36 A N H X S+ 0 0 3 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.881 111.5 49.1 -60.7 -40.3 87.0 93.6 61.7 36 37 A E H X S+ 0 0 63 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.927 109.3 53.1 -62.4 -43.9 85.3 93.0 65.1 37 38 A A H X>S+ 0 0 10 -4,-2.5 5,-1.9 1,-0.2 4,-1.2 0.952 112.9 43.2 -56.8 -51.1 82.7 95.7 64.3 38 39 A V H <5S+ 0 0 12 -4,-2.9 3,-0.4 1,-0.2 -1,-0.2 0.916 113.4 51.7 -60.9 -45.8 81.9 94.1 60.9 39 40 A E H <5S+ 0 0 12 -4,-2.6 -1,-0.2 1,-0.2 181,-0.2 0.877 115.2 41.1 -58.4 -39.3 81.7 90.6 62.4 40 41 A T H <5S- 0 0 59 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.567 111.4-118.9 -92.4 -7.2 79.4 91.6 65.2 41 42 A G T <5 + 0 0 22 -4,-1.2 2,-0.3 -3,-0.4 -3,-0.2 0.734 51.7 163.4 84.2 23.2 77.2 93.8 63.0 42 43 A D > < - 0 0 57 -5,-1.9 3,-2.2 -6,-0.2 -1,-0.2 -0.595 41.3-138.3 -82.4 134.7 77.8 97.1 64.8 43 44 A E T > S+ 0 0 117 -2,-0.3 3,-0.8 1,-0.3 4,-0.4 0.596 98.1 76.5 -72.7 -5.8 76.9 100.2 62.9 44 45 A R T 3> + 0 0 152 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.467 68.1 92.9 -78.9 0.3 80.1 101.9 64.2 45 46 A R H <> S+ 0 0 49 -3,-2.2 4,-2.9 -8,-0.2 -1,-0.2 0.918 83.4 51.7 -54.2 -40.9 81.9 99.8 61.6 46 47 A F H <> S+ 0 0 25 -3,-0.8 4,-2.8 1,-0.2 5,-0.2 0.931 105.9 51.6 -65.4 -44.1 81.6 102.7 59.2 47 48 A T H > S+ 0 0 87 -4,-0.4 4,-1.1 2,-0.2 -1,-0.2 0.926 112.9 47.3 -59.2 -44.3 83.0 105.3 61.5 48 49 A L H >X S+ 0 0 45 -4,-2.0 3,-1.4 1,-0.2 4,-1.2 0.977 111.0 49.4 -60.9 -57.4 86.0 103.0 62.1 49 50 A L H >X S+ 0 0 1 -4,-2.9 4,-3.0 1,-0.3 3,-1.0 0.892 107.8 55.5 -45.9 -45.2 86.5 102.2 58.4 50 51 A N H 3< S+ 0 0 63 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.761 107.0 50.3 -68.3 -19.9 86.4 106.0 57.6 51 52 A Q H << S+ 0 0 147 -3,-1.4 -1,-0.3 -4,-1.1 -2,-0.2 0.688 117.1 41.8 -81.8 -22.0 89.2 106.5 60.2 52 53 A L H << S+ 0 0 5 -4,-1.2 23,-0.2 -3,-1.0 -2,-0.2 0.903 100.8 69.8 -93.3 -55.6 91.2 103.7 58.5 53 54 A L S < S- 0 0 7 -4,-3.0 20,-0.3 -5,-0.1 3,-0.2 -0.288 82.0-126.5 -61.5 151.7 90.8 104.3 54.8 54 55 A G S S- 0 0 31 21,-1.6 2,-0.3 18,-1.3 22,-0.2 0.942 84.6 -25.7 -64.1 -47.2 92.5 107.3 53.3 55 56 A S E -b 76 0B 51 20,-1.8 22,-2.3 23,-0.0 2,-0.4 -0.978 50.9-159.1-165.9 156.5 89.2 108.3 51.8 56 57 A S E -b 77 0B 23 -2,-0.3 22,-0.2 20,-0.2 23,-0.1 -0.997 22.2-137.1-139.5 133.7 85.9 107.0 50.6 57 58 A A S S+ 0 0 69 20,-1.7 22,-0.2 21,-1.1 21,-0.1 0.853 104.8 18.7 -65.4 -32.2 83.6 108.9 48.2 58 59 A D S S- 0 0 64 20,-0.6 -1,-0.2 19,-0.1 21,-0.1 0.373 93.2-127.2-119.7 6.2 80.5 108.1 50.2 59 60 A G S S+ 0 0 19 1,-0.1 -9,-0.2 -3,-0.1 -2,-0.1 0.633 89.6 97.0 57.2 14.2 81.8 107.1 53.6 60 61 A K + 0 0 116 -11,-0.1 -1,-0.1 2,-0.0 2,-0.1 -0.042 45.7 155.6-126.1 30.3 79.7 103.9 53.2 61 62 A A - 0 0 1 -15,-0.1 2,-0.7 19,-0.1 21,-0.2 -0.382 34.9-143.8 -59.5 134.5 82.3 101.3 51.9 62 63 A Q E +g 82 0C 78 19,-2.7 21,-2.3 -2,-0.1 2,-0.5 -0.871 28.3 167.8-109.7 97.6 81.2 97.8 52.6 63 64 A I E -g 83 0C 4 -2,-0.7 21,-0.2 19,-0.2 4,-0.2 -0.942 22.2-145.0-119.9 114.2 84.2 95.6 53.5 64 65 A N - 0 0 14 19,-2.8 23,-0.4 -2,-0.5 22,-0.1 -0.233 39.4 -51.3 -72.4 163.2 83.8 92.1 55.0 65 66 A P S S+ 0 0 1 0, 0.0 21,-0.8 0, 0.0 -1,-0.1 -0.365 109.2 30.1 -78.2 158.3 86.2 90.5 57.6 66 67 A D S S+ 0 0 14 19,-0.3 2,-0.2 1,-0.2 -2,-0.1 0.281 70.4 170.8 -96.5 112.2 89.0 90.0 57.9 67 68 A F - 0 0 2 -36,-0.2 2,-0.4 -4,-0.2 21,-0.2 -0.510 12.6-168.3 -68.6 143.2 90.3 93.0 56.0 68 69 A R E +m 88 0D 5 19,-1.8 21,-2.6 -2,-0.2 2,-0.3 -0.999 11.8 162.1-136.5 142.0 94.0 93.6 56.3 69 70 A C E -m 89 0D 1 -2,-0.4 21,-0.2 19,-0.2 -38,-0.1 -0.969 37.8-131.7-150.1 167.4 96.2 96.6 55.3 70 71 A D S S- 0 0 15 19,-1.2 -43,-0.2 -2,-0.3 -42,-0.2 0.940 98.1 -13.8 -78.7 -58.9 99.5 98.2 55.8 71 72 A Y - 0 0 9 -44,-0.1 2,-1.1 -45,-0.1 19,-0.1 0.655 68.6-155.3-120.1 -37.0 98.7 101.9 56.4 72 73 A G S > S+ 0 0 0 17,-0.2 3,-2.1 1,-0.1 -18,-1.3 -0.306 78.9 84.6 84.4 -49.3 95.0 102.2 55.3 73 74 A Y T 3 S+ 0 0 59 -2,-1.1 -1,-0.1 1,-0.3 -20,-0.1 0.558 81.1 60.7 -68.9 -4.9 95.5 105.9 54.7 74 75 A N T 3 S+ 0 0 14 17,-0.1 21,-2.8 19,-0.1 2,-0.5 0.324 84.6 96.0 -99.7 7.6 96.8 105.4 51.2 75 76 A I E < + c 0 95B 2 -3,-2.1 -20,-1.8 -23,-0.2 -21,-1.6 -0.872 49.4 177.9-103.0 125.7 93.6 103.7 50.1 76 77 A H E -bc 55 96B 34 19,-2.7 21,-3.2 -2,-0.5 2,-0.3 -0.981 5.1-175.3-131.7 118.9 91.1 105.8 48.3 77 78 A V E -bc 56 97B 8 -22,-2.3 -20,-1.7 -2,-0.5 21,-0.2 -0.843 17.6-134.9-117.6 151.0 87.8 104.4 47.0 78 79 A G - 0 0 8 20,-2.1 -21,-1.1 19,-0.9 -20,-0.6 0.371 54.1 -48.8 -75.2-143.6 85.0 105.8 45.0 79 80 A K S S+ 0 0 101 1,-0.2 21,-2.5 -22,-0.2 22,-0.4 -0.589 115.5 16.1-100.7 160.6 81.3 105.2 45.8 80 81 A S S S- 0 0 61 -2,-0.2 -1,-0.2 1,-0.2 2,-0.2 0.815 80.1-177.7 47.8 37.7 79.5 102.0 46.6 81 82 A F - 0 0 4 -3,-0.5 -19,-2.7 19,-0.1 2,-0.4 -0.461 3.2-172.9 -62.5 130.4 82.8 100.2 47.2 82 83 A F E +gh 62 102C 54 19,-2.1 21,-3.3 -2,-0.2 2,-0.4 -0.979 14.0 172.3-130.2 126.4 82.4 96.5 48.1 83 84 A A E -gh 63 103C 2 -21,-2.3 -19,-2.8 -2,-0.4 21,-0.2 -0.987 19.3-149.8-126.9 125.4 85.0 94.0 49.2 84 85 A N > - 0 0 13 19,-2.5 3,-0.5 -2,-0.4 22,-0.2 0.064 49.8 -29.4 -77.2-169.0 84.0 90.5 50.3 85 86 A F T 3 S+ 0 0 3 1,-0.2 21,-3.2 20,-0.1 -19,-0.3 -0.028 116.6 0.9 -51.0 137.1 85.9 88.2 52.9 86 87 A N T 3 S+ 0 0 27 -21,-0.8 2,-0.3 19,-0.2 -1,-0.2 0.828 73.4 168.4 65.7 42.6 89.6 88.4 53.5 87 88 A C < - 0 0 1 -3,-0.5 -19,-1.8 -23,-0.4 2,-0.4 -0.627 16.8-158.5 -85.9 146.8 90.9 91.1 51.2 88 89 A V E -mn 68 108D 0 19,-2.0 21,-2.6 -2,-0.3 2,-0.5 -0.995 9.4-176.4-127.5 127.8 94.4 92.4 51.7 89 90 A I E -mn 69 109D 3 -21,-2.6 -19,-1.2 -2,-0.4 2,-1.0 -0.954 12.2-161.7-127.2 113.5 95.7 95.7 50.5 90 91 A L E - n 0 110D 7 19,-2.8 21,-2.1 -2,-0.5 2,-0.7 -0.803 15.4-179.7 -90.5 99.5 99.4 96.7 50.9 91 92 A D + 0 0 0 -2,-1.0 -17,-0.1 1,-0.2 4,-0.1 -0.408 31.6 135.9-103.6 54.4 99.1 100.4 50.4 92 93 A V S S+ 0 0 1 -2,-0.7 2,-0.3 2,-0.1 -1,-0.2 0.897 84.5 27.8 -64.2 -37.4 102.7 101.6 50.8 93 94 A C S S- 0 0 1 -3,-0.4 38,-0.1 36,-0.2 -85,-0.1 -0.767 118.1 -62.1-111.4 167.8 101.9 103.7 47.7 94 95 A E - 0 0 78 -86,-0.3 37,-1.8 -2,-0.3 2,-0.5 -0.084 41.6-164.7 -46.7 135.5 98.5 105.1 46.7 95 96 A V E -cd 75 131B 0 -21,-2.8 -19,-2.7 35,-0.2 2,-0.5 -0.974 12.0-171.8-124.9 113.6 95.8 102.6 45.8 96 97 A R E -cd 76 132B 108 35,-2.3 37,-3.1 -2,-0.5 2,-0.4 -0.936 3.6-175.8-117.7 119.9 93.1 104.5 44.0 97 98 A I E -cd 77 133B 4 -21,-3.2 -19,-0.9 -2,-0.5 37,-0.2 -0.965 14.6-137.4-123.2 133.6 89.9 102.7 43.2 98 99 A G - 0 0 12 35,-1.8 -20,-2.1 36,-1.2 3,-0.4 0.410 38.0 -62.5 -67.5-155.6 86.9 104.1 41.2 99 100 A D S S+ 0 0 52 -21,-0.2 37,-2.7 1,-0.2 38,-0.4 -0.614 109.7 13.7 -95.2 157.5 83.2 103.9 41.7 100 101 A H S S+ 0 0 54 -21,-2.5 2,-0.3 -2,-0.2 -1,-0.2 0.781 83.5 158.5 46.3 39.8 81.0 100.8 41.9 101 102 A C - 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