==== 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 11-SEP-07 2R8V . COMPND 2 MOLECULE: PUTATIVE ACETYLGLUTAMATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA GONORRHOEAE; . AUTHOR D.SHI,V.SAGAR,Z.JIN,X.YU,L.CALDOVIC,H.MORIZONO,N.M.ALLEWELL, . 424 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21524.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 320 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 12.3 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.7 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 1 2 0 2 1 1 0 1 0 2 3 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 1 1 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 PARALLEL BRIDGES PER LADDER . 1 3 3 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 1 0 1 1 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 D 0 0 174 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-167.3 11.4 3.1 43.1 2 6 A S > - 0 0 72 1,-0.1 4,-2.1 4,-0.0 5,-0.2 -0.403 360.0-104.9 -76.4 162.0 13.5 3.1 46.3 3 7 A F H > S+ 0 0 142 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.913 119.9 50.6 -48.4 -51.1 15.9 5.8 47.4 4 8 A V H > S+ 0 0 77 1,-0.3 4,-3.2 2,-0.2 5,-0.2 0.919 109.0 49.9 -58.9 -48.9 19.0 3.7 46.5 5 9 A A H > S+ 0 0 38 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.865 114.5 46.3 -61.3 -35.5 17.7 2.9 43.0 6 10 A H H X S+ 0 0 92 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.902 111.3 50.2 -74.6 -49.2 17.0 6.6 42.4 7 11 A F H X S+ 0 0 121 -4,-3.2 4,-1.6 1,-0.2 -2,-0.2 0.960 112.3 48.1 -51.8 -41.6 20.4 7.7 43.8 8 12 A R H < S+ 0 0 191 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.730 108.2 54.9 -71.3 -28.3 22.1 5.2 41.6 9 13 A E H < S+ 0 0 60 -4,-0.9 4,-0.5 -5,-0.2 -1,-0.3 0.875 111.0 45.2 -67.2 -38.9 20.1 6.4 38.6 10 14 A A H >X S+ 0 0 14 -4,-2.3 4,-2.1 1,-0.2 3,-0.8 0.816 92.0 86.3 -76.1 -22.0 21.3 9.9 39.3 11 15 A A H 3X S+ 0 0 51 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.725 85.0 50.4 -51.0 -42.7 25.0 9.0 39.8 12 16 A P H 3> S+ 0 0 63 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.873 113.6 45.5 -70.1 -31.8 26.1 9.0 36.2 13 17 A Y H <> S+ 0 0 56 -3,-0.8 4,-2.4 -4,-0.5 -2,-0.2 0.756 109.3 55.5 -80.3 -31.5 24.7 12.5 35.6 14 18 A I H X S+ 0 0 43 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.956 107.6 51.0 -61.0 -40.4 26.2 13.6 38.8 15 19 A R H < S+ 0 0 218 -4,-2.3 3,-0.4 1,-0.2 -2,-0.2 0.929 113.2 44.4 -57.7 -50.3 29.5 12.4 37.4 16 20 A Q H < S+ 0 0 110 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.904 113.0 49.5 -59.1 -50.5 29.0 14.4 34.3 17 21 A M H >< S+ 0 0 9 -4,-2.4 3,-1.7 243,-0.1 -1,-0.2 0.753 83.8 112.8 -68.3 -20.4 27.8 17.5 35.9 18 22 A R T 3< S- 0 0 186 -4,-1.8 33,-0.2 -3,-0.4 32,-0.2 -0.219 90.2 -0.0 -65.7 132.7 30.6 17.7 38.4 19 23 A G T 3 S+ 0 0 55 31,-2.5 -1,-0.3 1,-0.2 2,-0.3 0.714 104.4 125.7 67.1 16.8 33.0 20.7 38.0 20 24 A T < - 0 0 18 -3,-1.7 32,-3.3 30,-0.2 2,-0.4 -0.675 60.3-120.5-104.6 157.3 31.0 21.8 34.9 21 25 A T E -a 52 0A 13 -2,-0.3 169,-1.5 30,-0.2 168,-0.7 -0.858 24.6-173.0-106.6 141.3 29.6 25.3 34.5 22 26 A L E -ab 53 190A 3 30,-2.7 32,-2.4 -2,-0.4 2,-0.6 -0.983 9.3-158.2-141.8 120.2 25.9 26.0 34.1 23 27 A V E -ab 54 191A 0 167,-2.1 169,-3.6 -2,-0.4 2,-0.7 -0.872 12.7-159.1-103.8 123.7 24.4 29.4 33.3 24 28 A A E -ab 55 192A 6 30,-3.7 32,-2.9 -2,-0.6 2,-0.8 -0.893 8.7-160.7-108.6 113.4 20.8 29.7 34.3 25 29 A G E -ab 56 193A 0 167,-1.9 169,-3.1 -2,-0.7 2,-0.5 -0.793 22.3-163.1 -80.5 119.7 18.6 32.4 32.7 26 30 A I E -ab 57 194A 1 30,-3.5 32,-1.9 -2,-0.8 169,-0.2 -0.814 20.6-124.3-115.8 125.4 15.6 32.7 35.0 27 31 A D > - 0 0 17 167,-2.2 3,-1.7 -2,-0.5 4,-0.4 -0.393 24.0-131.8 -60.6 134.1 12.3 34.3 34.4 28 32 A G G > S+ 0 0 7 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.726 101.6 70.2 -68.3 -20.4 11.7 37.0 37.1 29 33 A R G >> S+ 0 0 79 1,-0.2 3,-1.1 2,-0.1 4,-0.9 0.797 91.3 60.0 -54.9 -36.1 8.3 35.6 37.8 30 34 A L G <4 S+ 0 0 2 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.729 93.0 68.3 -73.5 -10.8 9.9 32.6 39.4 31 35 A L G <4 S+ 0 0 1 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.1 0.237 103.4 40.5 -90.0 20.5 11.6 34.9 41.9 32 36 A E T <4 S+ 0 0 62 -3,-1.1 -2,-0.2 69,-0.0 -1,-0.2 0.681 96.4 72.2-134.2 -32.1 8.4 35.9 43.7 33 37 A G S < S- 0 0 42 -4,-0.9 3,-0.4 1,-0.1 4,-0.2 0.381 103.2 -84.6 -69.5-157.6 6.0 33.0 44.2 34 38 A G S > S+ 0 0 66 1,-0.2 4,-0.7 2,-0.1 -1,-0.1 0.181 121.9 85.5 -77.8 9.8 6.2 30.0 46.5 35 39 A T H > S+ 0 0 41 -6,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.371 78.0 66.0 -91.1 3.7 8.3 29.0 43.5 36 40 A L H > S+ 0 0 10 -3,-0.4 4,-2.9 2,-0.2 5,-0.3 0.889 96.7 44.5 -96.4 -49.0 11.2 30.8 45.1 37 41 A N H > S+ 0 0 102 -4,-0.2 4,-1.6 1,-0.2 -2,-0.1 0.886 114.0 55.7 -64.7 -32.0 12.0 28.8 48.2 38 42 A K H X S+ 0 0 98 -4,-0.7 4,-1.2 2,-0.2 -1,-0.2 0.946 113.7 36.2 -70.6 -38.1 11.6 25.7 46.1 39 43 A L H X S+ 0 0 9 -4,-0.6 4,-2.8 1,-0.3 5,-0.2 0.835 109.9 59.6 -97.3 -24.2 14.1 26.6 43.5 40 44 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -1,-0.3 0.878 108.7 49.8 -53.4 -40.1 16.6 28.3 45.8 41 45 A A H X S+ 0 0 35 -4,-1.6 4,-1.7 -5,-0.3 -2,-0.2 0.899 110.2 47.8 -69.7 -37.4 16.7 24.9 47.4 42 46 A D H X S+ 0 0 18 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.870 113.1 49.1 -73.3 -33.5 17.2 23.1 44.1 43 47 A I H X S+ 0 0 3 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.940 106.7 56.5 -70.4 -47.1 20.0 25.6 43.2 44 48 A G H X S+ 0 0 8 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.889 107.9 47.8 -34.2 -57.6 21.6 25.1 46.6 45 49 A L H X S+ 0 0 66 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.921 106.3 56.4 -58.3 -55.1 21.8 21.4 45.9 46 50 A L H ><>S+ 0 0 2 -4,-2.2 5,-1.6 1,-0.3 3,-0.5 0.903 110.0 46.9 -41.3 -50.9 23.3 22.0 42.5 47 51 A S H ><5S+ 0 0 21 -4,-2.8 3,-2.7 1,-0.2 -1,-0.3 0.959 106.0 57.9 -55.3 -50.1 25.9 23.9 44.3 48 52 A Q H 3<5S+ 0 0 126 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.764 101.8 59.1 -59.0 -20.1 26.3 21.1 46.8 49 53 A L T <<5S- 0 0 45 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.309 121.0-101.6 -93.1 10.1 27.1 18.8 43.9 50 54 A G T < 5S+ 0 0 37 -3,-2.7 -31,-2.5 1,-0.3 2,-0.5 0.676 71.6 145.9 82.6 19.0 30.2 20.7 42.6 51 55 A I < - 0 0 8 -5,-1.6 2,-0.6 -33,-0.2 -1,-0.3 -0.787 49.8-129.5 -88.2 129.1 28.4 22.4 39.7 52 56 A R E -a 21 0A 54 -32,-3.3 -30,-2.7 -2,-0.5 2,-0.5 -0.653 32.2-156.1 -80.9 123.2 29.7 25.9 38.9 53 57 A L E +a 22 0A 2 -2,-0.6 104,-2.5 -32,-0.2 2,-0.5 -0.822 24.2 178.0-110.8 126.2 26.6 28.2 38.8 54 58 A V E -ac 23 157A 0 -32,-2.4 -30,-3.7 -2,-0.5 2,-0.4 -0.979 16.2-166.2-113.9 135.5 25.9 31.5 37.1 55 59 A L E +ac 24 158A 2 102,-3.3 104,-3.4 -2,-0.5 2,-0.4 -0.942 11.5 175.0-125.2 129.7 22.5 32.9 37.5 56 60 A I E -ac 25 159A 2 -32,-2.9 -30,-3.5 -2,-0.4 2,-0.3 -0.990 10.4-164.4-128.2 136.9 20.8 35.7 35.5 57 61 A H E -a 26 0A 1 102,-1.3 -30,-0.2 -2,-0.4 2,-0.1 -0.887 11.8-132.0-119.8 158.6 17.2 36.8 35.9 58 62 A G - 0 0 9 -32,-1.9 116,-0.1 -2,-0.3 -32,-0.0 -0.362 10.2-168.6 -92.5 174.5 14.9 39.0 33.8 59 63 A A >> + 0 0 3 114,-0.2 4,-2.4 -2,-0.1 3,-1.5 0.342 55.3 107.4-140.2 -7.4 12.7 41.9 34.8 60 64 A Y H 3> S+ 0 0 35 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.837 82.1 50.0 -45.0 -46.1 10.5 42.5 31.8 61 65 A H H 3> S+ 0 0 64 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.802 111.7 47.3 -72.0 -27.3 7.4 41.1 33.4 62 66 A F H <> S+ 0 0 41 -3,-1.5 4,-0.7 2,-0.2 3,-0.3 0.953 110.0 52.2 -76.2 -55.6 7.8 43.1 36.5 63 67 A L H >X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 3,-1.1 0.906 112.4 47.3 -36.2 -49.4 8.4 46.2 34.7 64 68 A D H 3X S+ 0 0 33 -4,-2.4 4,-3.2 1,-0.3 -1,-0.2 0.843 104.8 57.5 -69.4 -31.7 5.1 45.5 32.7 65 69 A R H 3< S+ 0 0 120 -4,-1.4 4,-0.3 -3,-0.3 -1,-0.3 0.534 112.6 44.4 -80.1 -6.4 3.1 44.7 35.8 66 70 A L H << S+ 0 0 50 -3,-1.1 6,-0.3 -4,-0.7 -2,-0.2 0.664 110.7 51.6 -99.9 -37.5 4.1 48.2 36.9 67 71 A A H >X>S+ 0 0 1 -4,-2.2 3,-2.7 -5,-0.2 4,-0.9 0.996 111.5 49.3 -58.5 -55.2 3.5 49.9 33.5 68 72 A A G ><5S+ 0 0 74 -4,-3.2 3,-0.9 1,-0.3 -1,-0.2 0.829 110.5 47.6 -49.3 -48.7 -0.0 48.3 33.5 69 73 A A G 345S+ 0 0 85 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.425 112.3 53.8 -78.3 8.7 -0.9 49.4 37.0 70 74 A Q G <45S- 0 0 120 -3,-2.7 -1,-0.2 2,-0.3 -2,-0.2 0.485 114.8-108.9-119.8 -16.1 0.3 52.9 36.2 71 75 A G T <<5S+ 0 0 69 -3,-0.9 -3,-0.2 -4,-0.9 -4,-0.1 0.013 82.8 122.1 102.3 -23.9 -1.7 53.6 33.0 72 76 A R < - 0 0 67 -5,-0.8 -1,-0.4 -6,-0.3 -2,-0.3 -0.272 53.8-144.0 -75.2 150.5 1.4 53.3 30.9 73 77 A T - 0 0 107 -3,-0.1 2,-0.3 -6,-0.0 -1,-0.0 -0.966 15.1-127.6-115.2 137.1 1.8 50.7 28.1 74 78 A P - 0 0 44 0, 0.0 2,-0.5 0, 0.0 9,-0.1 -0.621 16.5-150.0 -74.2 129.6 5.2 48.9 27.4 75 79 A H - 0 0 126 7,-0.3 7,-2.4 -2,-0.3 2,-0.3 -0.953 13.9-173.5-103.8 125.2 6.6 49.0 23.8 76 80 A Y E -H 81 0B 88 -2,-0.5 2,-0.3 5,-0.2 5,-0.3 -0.739 1.2-171.3-103.1 169.1 8.7 46.0 22.6 77 81 A C E > S-H 80 0B 23 3,-2.2 3,-3.6 -2,-0.3 52,-0.0 -0.920 71.0 -1.6-168.5 137.6 10.6 45.8 19.3 78 82 A R T 3 S- 0 0 161 1,-0.3 3,-0.1 -2,-0.3 51,-0.0 0.775 135.0 -61.4 40.0 26.9 12.4 43.1 17.4 79 83 A G T 3 S+ 0 0 15 1,-0.3 -1,-0.3 150,-0.0 2,-0.1 0.325 116.7 109.8 90.2 -6.1 11.2 41.5 20.7 80 84 A L E < -H 77 0B 14 -3,-3.6 -3,-2.2 1,-0.0 2,-0.4 -0.421 65.7-106.4-101.7-178.0 13.1 43.8 23.1 81 85 A R E -H 76 0B 5 -5,-0.3 2,-0.7 -2,-0.1 -5,-0.2 -0.848 11.4-132.3-126.7 133.1 11.9 46.4 25.5 82 86 A V - 0 0 25 -7,-2.4 2,-0.6 -2,-0.4 -7,-0.3 -0.761 29.9-165.4 -82.7 116.7 12.0 50.2 25.4 83 87 A T B -i 134 0C 0 50,-0.9 52,-2.2 -2,-0.7 53,-0.2 -0.881 1.5-161.3-111.7 108.1 13.2 51.2 28.8 84 88 A D > - 0 0 54 -2,-0.6 4,-1.9 50,-0.2 5,-0.2 -0.318 38.6 -94.7 -78.4 174.5 12.9 54.8 29.9 85 89 A E H > S+ 0 0 130 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.881 122.6 51.3 -52.7 -41.5 14.8 56.4 32.8 86 90 A T H > S+ 0 0 83 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.918 113.3 42.5 -70.2 -37.9 12.0 55.8 35.3 87 91 A S H > S+ 0 0 0 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.735 109.8 57.5 -81.9 -18.5 11.6 52.1 34.5 88 92 A L H >X S+ 0 0 14 -4,-1.9 4,-1.5 2,-0.2 3,-0.7 0.967 107.8 49.4 -71.6 -38.1 15.4 51.7 34.4 89 93 A G H 3X S+ 0 0 25 -4,-2.3 4,-1.6 1,-0.3 -2,-0.2 0.831 109.2 51.7 -65.8 -34.4 15.3 53.1 37.9 90 94 A Q H 3X S+ 0 0 22 -4,-1.5 4,-2.4 2,-0.2 -1,-0.3 0.678 103.1 58.2 -76.4 -24.3 12.6 50.6 38.9 91 95 A A H X S+ 0 0 145 -4,-1.6 4,-1.6 1,-0.2 3,-0.6 0.964 110.5 50.6 -63.2 -47.9 14.8 48.4 42.7 94 98 A F H 3X S+ 0 0 3 -4,-2.4 4,-2.1 1,-0.3 -1,-0.2 0.786 107.6 53.0 -55.4 -39.4 13.5 45.1 41.5 95 99 A A H 3X S+ 0 0 10 -4,-1.8 4,-1.7 -3,-0.3 -1,-0.3 0.792 107.3 52.8 -72.0 -31.5 17.0 43.6 41.3 96 100 A G H -N 131 0E 25 3,-3.3 3,-3.1 -2,-0.4 -2,-0.0 -0.985 69.9 -21.5-128.7 128.1 15.8 49.9 15.8 129 140 A D T 3 S- 0 0 114 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.881 130.1 -47.2 47.3 37.8 13.5 50.4 12.8 130 141 A G T 3 S+ 0 0 72 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.180 116.7 114.9 101.8 -17.8 13.1 54.0 13.8 131 142 A T E < -N 128 0E 61 -3,-3.1 -3,-3.3 1,-0.0 2,-0.7 -0.739 63.3-132.6-101.6 130.9 12.4 53.3 17.4 132 143 A D E -N 127 0E 87 -2,-0.4 -5,-0.2 -5,-0.3 3,-0.1 -0.709 8.0-161.3 -76.9 119.2 14.8 54.5 20.2 133 144 A M > - 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