==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 13-FEB-06 2G0U . COMPND 2 MOLECULE: TYPE III SECRETION SYSTEM NEEDLE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA PSEUDOMALLEI; . AUTHOR L.ZHANG,Y.WANG,W.L.PICKING,W.D.PICKING,R.N.DE GUZMAN . 92 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8036.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 61 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 16.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 50.0 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+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 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A M 0 0 151 0, 0.0 53,-0.0 0, 0.0 56,-0.0 0.000 360.0 360.0 360.0 -72.3 41.0 -23.0 -2.2 2 2 A S + 0 0 135 2,-0.0 0, 0.0 0, 0.0 0, 0.0 0.608 360.0 104.1 -67.6 -15.2 38.9 -23.3 -5.5 3 3 A N S S- 0 0 103 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.222 85.0 -87.8 -59.2 154.5 41.3 -21.1 -7.4 4 4 A P - 0 0 103 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.237 54.7 -92.3 -54.6 153.0 43.9 -22.5 -10.0 5 5 A P - 0 0 129 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.304 43.2-165.5 -67.8 155.7 47.3 -23.6 -8.6 6 6 A T - 0 0 112 -2,-0.0 0, 0.0 1,-0.0 0, 0.0 -0.936 32.4 -72.3-140.4 157.9 50.3 -21.2 -8.5 7 7 A P + 0 0 126 0, 0.0 -1,-0.0 0, 0.0 3,-0.0 -0.190 43.5 165.2 -53.3 141.4 54.2 -21.5 -8.0 8 8 A L > + 0 0 70 2,-0.0 3,-1.0 3,-0.0 4,-0.2 0.123 33.4 120.8-144.8 14.2 55.4 -22.3 -4.4 9 9 A L T 3 S+ 0 0 180 1,-0.2 3,-0.1 2,-0.1 -1,-0.0 0.669 91.7 19.5 -64.5 -20.9 59.1 -23.3 -4.9 10 10 A A T 3 S+ 0 0 72 1,-0.0 -1,-0.2 3,-0.0 3,-0.2 -0.077 76.6 135.8-141.4 28.8 60.5 -20.6 -2.6 11 11 A D S < S- 0 0 47 -3,-1.0 2,-0.3 1,-0.2 -2,-0.1 0.807 83.4 -4.0 -57.8 -33.2 57.5 -19.5 -0.4 12 12 A Y S S+ 0 0 56 -4,-0.2 -1,-0.2 32,-0.1 -4,-0.0 -0.920 76.9 115.6-158.3 136.8 59.7 -19.5 2.8 13 13 A E S S+ 0 0 159 -2,-0.3 -2,-0.1 -3,-0.2 -1,-0.0 0.230 91.2 14.0-159.6 -40.9 63.4 -20.4 3.5 14 14 A W S > S+ 0 0 171 2,-0.1 3,-2.2 1,-0.1 4,-0.2 0.467 87.4 103.3-126.2 -9.0 65.4 -17.3 4.7 15 15 A S T >> + 0 0 43 1,-0.3 4,-2.6 2,-0.2 3,-1.7 0.722 69.0 76.3 -58.6 -22.7 62.8 -14.5 5.5 16 16 A G H 3> S+ 0 0 30 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.820 79.7 73.3 -51.2 -33.0 63.4 -15.2 9.3 17 17 A Y H <4 S+ 0 0 221 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.725 115.5 19.2 -56.1 -26.7 66.7 -13.3 8.8 18 18 A L H X> S+ 0 0 114 -3,-1.7 4,-2.6 -4,-0.2 3,-0.6 0.597 118.1 63.3-121.5 -20.8 64.6 -10.0 8.6 19 19 A T H 3X S+ 0 0 45 -4,-2.6 4,-2.3 1,-0.2 -3,-0.2 0.878 94.1 67.5 -66.9 -34.6 61.3 -11.0 10.2 20 20 A G H 3< S+ 0 0 32 -4,-2.3 -1,-0.2 -5,-0.2 -3,-0.1 0.727 116.1 24.3 -55.6 -27.8 63.3 -11.6 13.4 21 21 A I H X4 S+ 0 0 124 -3,-0.6 3,-1.4 -5,-0.1 4,-0.3 0.727 115.5 63.7-107.6 -35.4 63.9 -7.8 13.6 22 22 A G H >< S+ 0 0 42 -4,-2.6 3,-1.8 1,-0.3 -3,-0.2 0.876 94.3 63.8 -58.2 -39.3 60.8 -6.5 11.6 23 23 A R G >< S+ 0 0 119 -4,-2.3 3,-1.1 1,-0.3 7,-0.3 0.720 91.8 65.3 -55.4 -26.3 58.5 -8.0 14.2 24 24 A A G < S+ 0 0 68 -3,-1.4 -1,-0.3 1,-0.3 3,-0.2 0.591 100.4 48.6 -81.8 -8.6 59.9 -5.6 16.9 25 25 A F G < S+ 0 0 202 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.024 113.7 51.7-104.9 20.0 58.5 -2.5 15.0 26 26 A D X> + 0 0 34 -3,-1.1 3,-2.8 1,-0.0 4,-2.1 0.020 65.0 142.3-144.1 18.2 55.1 -4.4 14.8 27 27 A D T 34 + 0 0 132 1,-0.3 4,-0.4 -3,-0.2 -3,-0.1 0.675 69.0 58.2 -52.2 -26.4 54.6 -5.4 18.6 28 28 A G T 34 S+ 0 0 44 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.496 121.8 27.3 -82.6 -3.5 50.7 -4.9 18.5 29 29 A V T X> S+ 0 0 7 -3,-2.8 4,-2.7 -6,-0.2 3,-1.2 0.447 92.8 95.6-128.9 -13.5 50.4 -7.5 15.7 30 30 A K H 3X S+ 0 0 87 -4,-2.1 4,-2.4 -7,-0.3 5,-0.2 0.808 81.0 64.2 -43.9 -35.3 53.6 -9.6 16.5 31 31 A D H 3> S+ 0 0 119 -4,-0.4 4,-1.2 2,-0.2 -1,-0.3 0.900 110.5 32.2 -52.9 -53.2 51.0 -11.8 18.4 32 32 A L H <> S+ 0 0 20 -3,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.811 115.0 60.4 -80.0 -31.6 49.1 -12.8 15.2 33 33 A N H X S+ 0 0 27 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.899 105.0 49.6 -62.1 -38.9 52.3 -12.6 13.1 34 34 A K H X S+ 0 0 144 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.913 109.9 50.8 -63.7 -43.7 53.8 -15.4 15.4 35 35 A Q H X S+ 0 0 93 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.888 113.0 46.3 -60.3 -39.9 50.5 -17.5 14.9 36 36 A L H X S+ 0 0 12 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.887 110.8 50.6 -73.1 -38.9 50.9 -17.0 11.1 37 37 A Q H X S+ 0 0 72 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.878 109.2 53.0 -65.9 -34.6 54.7 -17.9 11.1 38 38 A D H X S+ 0 0 94 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.906 109.4 48.5 -64.7 -38.4 53.7 -21.0 13.2 39 39 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 17,-0.3 0.952 110.1 51.7 -60.2 -46.9 51.2 -21.8 10.3 40 40 A Q H X S+ 0 0 36 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.700 109.5 50.6 -65.2 -25.0 54.0 -21.2 7.8 41 41 A A H X S+ 0 0 32 -4,-1.4 4,-2.2 2,-0.3 -1,-0.2 0.847 107.9 49.2 -80.3 -37.6 56.2 -23.7 9.8 42 42 A N H X S+ 0 0 74 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.891 117.4 45.6 -63.3 -33.0 53.5 -26.4 9.9 43 43 A L H >< S+ 0 0 1 -4,-2.4 3,-0.7 9,-0.3 -2,-0.3 0.882 105.9 58.2 -70.6 -38.4 53.5 -25.5 6.1 44 44 A T H 3< S+ 0 0 65 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.2 0.892 101.7 55.9 -61.8 -37.6 57.3 -25.6 6.0 45 45 A K H 3< S+ 0 0 181 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.813 134.7 5.3 -61.2 -31.5 57.2 -29.2 7.2 46 46 A N S X< S- 0 0 84 -3,-0.7 3,-2.9 -4,-0.7 -1,-0.3 -0.614 75.7-155.9-152.7 86.8 54.9 -29.9 4.2 47 47 A P T 3 S+ 0 0 57 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.623 93.6 25.3 -45.4 -27.6 54.6 -26.8 1.8 48 48 A S T 3 S+ 0 0 82 -4,-0.1 -5,-0.1 -5,-0.1 -4,-0.1 -0.006 77.7 142.2-127.6 29.7 51.2 -27.9 0.3 49 49 A D <> - 0 0 59 -3,-2.9 4,-2.8 -6,-0.2 5,-0.2 -0.581 53.6-134.8 -61.2 124.1 49.8 -30.2 3.1 50 50 A P H > S+ 0 0 103 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.774 100.7 45.1 -70.2 -26.3 46.2 -29.1 2.8 51 51 A T H > S+ 0 0 108 2,-0.2 4,-2.8 3,-0.2 5,-0.2 0.890 115.3 48.7 -77.6 -40.9 45.5 -28.7 6.5 52 52 A A H > S+ 0 0 7 2,-0.2 4,-2.8 1,-0.2 -9,-0.3 0.904 117.5 42.1 -56.6 -41.9 48.7 -26.8 6.9 53 53 A L H X S+ 0 0 45 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.871 114.5 49.7 -79.4 -35.2 47.7 -24.7 3.9 54 54 A A H X S+ 0 0 37 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.902 113.8 48.2 -62.2 -41.4 44.1 -24.4 5.1 55 55 A N H X S+ 0 0 44 -4,-2.8 4,-3.0 2,-0.2 5,-0.3 0.960 113.4 45.5 -65.1 -53.6 45.5 -23.3 8.5 56 56 A Y H X S+ 0 0 32 -4,-2.8 4,-2.6 -17,-0.3 -2,-0.2 0.928 114.9 48.4 -55.4 -45.3 47.9 -20.8 7.0 57 57 A Q H X S+ 0 0 77 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.883 114.4 46.2 -66.0 -37.2 45.1 -19.5 4.7 58 58 A M H X S+ 0 0 108 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.942 116.4 43.0 -68.2 -49.0 42.7 -19.2 7.7 59 59 A I H X S+ 0 0 19 -4,-3.0 4,-2.9 2,-0.2 -2,-0.2 0.872 114.1 53.2 -66.2 -34.8 45.2 -17.5 10.0 60 60 A M H X S+ 0 0 53 -4,-2.6 4,-2.9 -5,-0.3 5,-0.3 0.862 104.5 54.8 -68.5 -35.3 46.2 -15.3 7.0 61 61 A S H X S+ 0 0 79 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.920 114.4 40.9 -60.5 -42.8 42.6 -14.3 6.5 62 62 A E H X S+ 0 0 115 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.910 115.2 52.1 -70.1 -42.1 42.6 -13.2 10.2 63 63 A Y H X S+ 0 0 54 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.942 112.9 43.1 -56.1 -52.6 46.1 -11.6 9.9 64 64 A N H X S+ 0 0 111 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.895 115.5 48.8 -69.1 -39.7 45.2 -9.5 6.8 65 65 A L H X S+ 0 0 80 -4,-1.7 4,-2.4 -5,-0.3 -2,-0.2 0.924 112.5 47.4 -64.4 -46.7 41.8 -8.4 8.3 66 66 A Y H X S+ 0 0 50 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.908 111.6 51.1 -65.2 -38.6 43.3 -7.4 11.7 67 67 A R H X S+ 0 0 76 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.920 110.4 49.6 -63.0 -40.9 46.1 -5.5 9.8 68 68 A N H X S+ 0 0 97 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.897 111.7 48.4 -62.2 -39.2 43.4 -3.7 7.8 69 69 A A H X S+ 0 0 9 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.881 110.6 51.0 -69.2 -36.2 41.5 -2.9 11.0 70 70 A Q H X S+ 0 0 73 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.923 110.5 49.0 -65.2 -43.1 44.8 -1.6 12.6 71 71 A S H X S+ 0 0 79 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.897 110.0 52.3 -61.4 -38.6 45.3 0.6 9.5 72 72 A S H X S+ 0 0 51 -4,-2.1 4,-0.6 2,-0.2 -2,-0.2 0.884 109.5 49.2 -64.3 -37.6 41.7 1.9 9.8 73 73 A A H >< S+ 0 0 14 -4,-2.0 3,-1.0 2,-0.2 4,-0.3 0.935 111.1 48.7 -64.8 -45.2 42.5 2.7 13.5 74 74 A V H >< S+ 0 0 97 -4,-2.5 3,-1.1 1,-0.2 4,-0.2 0.907 108.7 53.9 -61.5 -41.5 45.6 4.6 12.4 75 75 A K H 3< S+ 0 0 181 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.683 118.3 37.4 -61.6 -18.9 43.6 6.5 9.8 76 76 A S T XX S+ 0 0 48 -3,-1.0 4,-2.3 -4,-0.6 3,-1.7 0.237 77.6 118.2-117.9 7.1 41.1 7.5 12.6 77 77 A M H <> S+ 0 0 120 -3,-1.1 4,-1.8 -4,-0.3 -2,-0.1 0.792 73.3 57.8 -57.0 -31.3 43.6 8.1 15.5 78 78 A K H 34 S+ 0 0 177 -4,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.802 113.5 40.0 -65.8 -31.7 42.6 11.9 15.9 79 79 A D H X> S+ 0 0 100 -3,-1.7 4,-2.4 2,-0.1 3,-2.1 0.883 110.8 56.8 -82.3 -42.6 39.0 10.8 16.5 80 80 A I H 3< S+ 0 0 32 -4,-2.3 4,-0.3 1,-0.3 -2,-0.2 0.831 95.4 67.8 -58.3 -32.1 39.9 7.7 18.7 81 81 A D T 3< S+ 0 0 149 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.1 0.645 119.3 20.4 -61.4 -14.7 41.8 10.3 21.0 82 82 A S T <4 S+ 0 0 107 -3,-2.1 -2,-0.2 -4,-0.0 -1,-0.2 0.540 134.7 38.7-126.4 -20.2 38.3 11.7 21.9 83 83 A S S < S- 0 0 69 -4,-2.4 -2,-0.2 2,-0.1 -3,-0.1 -0.451 83.4-163.7-134.3 49.1 35.9 8.8 21.0 84 84 A I + 0 0 143 -4,-0.3 2,-0.3 -5,-0.1 -3,-0.1 -0.136 19.4 159.2 -46.8 124.6 38.0 5.7 22.1 85 85 A L - 0 0 105 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.901 39.1-123.6-154.5 118.8 36.8 2.4 20.7 86 86 A E - 0 0 138 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.415 14.2-149.5 -61.7 133.9 38.7 -1.0 20.3 87 87 A H + 0 0 60 -2,-0.1 2,-0.2 2,-0.0 -1,-0.1 0.478 57.4 120.3 -90.5 -3.8 38.7 -2.2 16.6 88 88 A H + 0 0 132 -19,-0.0 2,-0.3 -18,-0.0 -2,-0.0 -0.443 39.4 140.7 -60.5 128.5 38.8 -5.9 17.5 89 89 A H - 0 0 87 -2,-0.2 3,-0.1 1,-0.1 -2,-0.0 -0.940 44.9-166.2-156.9 175.2 35.7 -7.7 16.0 90 90 A H S S+ 0 0 185 1,-0.4 2,-0.2 -2,-0.3 -1,-0.1 0.410 80.5 66.5-136.2 -50.1 34.2 -10.8 14.3 91 91 A H 0 0 173 0, 0.0 -1,-0.4 0, 0.0 0, 0.0 -0.540 360.0 360.0 -71.2 141.6 30.8 -9.6 13.1 92 92 A H 0 0 202 -2,-0.2 -3,-0.0 -3,-0.1 0, 0.0 -0.977 360.0 360.0-146.2 360.0 31.1 -6.9 10.3