==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL INVASION 30-OCT-03 1R9K . COMPND 2 MOLECULE: TYPEIII-SECRETED PROTEIN EFFECTOR: INVASION-ASSOC . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR C.WILLIAMS,E.E.GALYOV,S.BAGBY . 168 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8698.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 73.2 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 . 3 1.8 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 . 1 0.6 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 . 5 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 55.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.6 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 1 1 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 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 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 73 A E 0 0 102 0, 0.0 2,-0.4 0, 0.0 16,-0.1 0.000 360.0 360.0 360.0-175.3 148.8 7.2 -10.4 2 74 A G + 0 0 56 2,-0.0 2,-0.3 12,-0.0 12,-0.0 -0.939 360.0 117.1-141.7 117.7 149.4 9.1 -13.7 3 75 A R - 0 0 180 -2,-0.4 0, 0.0 3,-0.0 0, 0.0 -0.990 67.2-106.5-167.6 167.4 150.2 7.5 -17.1 4 76 A A S S+ 0 0 108 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 0.139 119.2 38.8 -90.7 23.0 149.0 7.0 -20.7 5 77 A V + 0 0 94 2,-0.1 -1,-0.1 5,-0.0 -2,-0.0 0.536 68.3 179.8-134.6 -40.7 148.2 3.4 -19.9 6 78 A L + 0 0 70 1,-0.1 7,-0.2 4,-0.1 8,-0.1 0.701 30.3 155.1 36.8 28.8 146.7 3.4 -16.3 7 79 A T + 0 0 99 3,-0.1 -2,-0.1 1,-0.1 -1,-0.1 -0.015 44.0 50.5 -69.6-176.6 146.3 -0.5 -16.7 8 80 A S S S+ 0 0 106 4,-0.0 -1,-0.1 5,-0.0 -2,-0.0 0.953 136.0 4.9 46.4 75.6 146.2 -2.8 -13.6 9 81 A K S S+ 0 0 68 3,-0.1 0, 0.0 4,-0.0 0, 0.0 0.867 80.5 164.8 79.0 91.2 143.6 -0.7 -11.8 10 82 A T S > S+ 0 0 29 3,-0.1 4,-2.4 2,-0.1 5,-0.2 0.817 82.3 18.7-101.1 -60.0 142.5 2.0 -14.3 11 83 A V H >>S+ 0 0 0 2,-0.3 4,-6.5 1,-0.2 5,-0.7 0.938 123.1 61.1 -75.0 -49.0 139.4 3.4 -12.9 12 84 A K H >5S+ 0 0 90 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.873 109.5 45.5 -44.5 -34.3 140.3 1.9 -9.6 13 85 A D H >5S+ 0 0 10 2,-0.2 4,-2.9 -7,-0.2 -2,-0.3 0.948 117.4 39.2 -78.3 -49.4 143.3 4.3 -10.0 14 86 A F H X5S+ 0 0 21 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.872 118.5 50.9 -68.7 -30.5 141.3 7.3 -11.1 15 87 A M H X5S+ 0 0 0 -4,-6.5 4,-3.5 2,-0.2 -2,-0.2 0.884 110.3 50.2 -72.0 -35.8 138.7 6.2 -8.5 16 88 A L H XS+ 0 0 0 -4,-3.5 5,-0.6 1,-0.2 4,-0.6 0.887 116.5 36.2 -41.6 -48.8 138.8 8.9 -3.5 20 92 A N H ><5S+ 0 0 71 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.918 122.6 43.4 -74.5 -44.7 141.8 10.8 -2.1 21 93 A S H 3<5S+ 0 0 75 -4,-3.8 -2,-0.2 1,-0.2 -3,-0.2 0.664 103.2 67.0 -78.0 -11.3 141.0 14.1 -3.9 22 94 A L H 3<5S- 0 0 39 -4,-3.7 5,-0.3 -5,-0.3 -1,-0.2 0.787 90.2-157.4 -76.0 -24.4 137.4 13.7 -3.0 23 95 A D T S+ 0 0 86 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.867 106.0 60.0 -78.9 -34.7 136.8 14.0 5.4 26 98 A G H > S+ 0 0 17 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.931 109.1 44.1 -59.6 -41.5 137.6 17.4 4.0 27 99 A N H X S+ 0 0 31 -4,-2.8 4,-4.5 -5,-0.3 8,-0.3 0.951 111.0 53.6 -69.2 -42.4 133.9 17.6 3.1 28 100 A A H < S+ 0 0 18 -4,-1.9 -2,-0.2 -5,-0.3 7,-0.2 0.805 109.5 51.4 -60.2 -23.7 133.1 16.2 6.6 29 101 A S H < S+ 0 0 106 -4,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.882 121.4 29.5 -81.1 -38.0 135.3 19.1 7.8 30 102 A K H < S+ 0 0 150 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.777 124.6 51.2 -89.9 -28.4 133.5 21.8 5.7 31 103 A D X - 0 0 54 -4,-4.5 4,-2.9 -5,-0.3 -1,-0.2 -0.871 57.1-175.0-115.5 103.9 130.1 20.0 5.8 32 104 A P H > S+ 0 0 96 0, 0.0 4,-0.5 0, 0.0 -1,-0.1 0.587 94.9 49.6 -71.0 -5.6 128.9 18.9 9.3 33 105 A A H > S+ 0 0 45 2,-0.2 4,-4.4 -6,-0.2 5,-0.5 0.809 107.8 51.8 -96.5 -39.6 126.1 17.3 7.4 34 106 A Y H > S+ 0 0 47 -7,-0.2 4,-2.0 1,-0.2 -6,-0.2 0.928 109.6 50.1 -60.0 -44.9 128.4 15.6 5.0 35 107 A A H < S+ 0 0 14 -4,-2.9 -1,-0.2 -8,-0.3 -2,-0.2 0.898 120.6 35.6 -63.0 -38.7 130.4 14.3 7.9 36 108 A R H X S+ 0 0 136 -4,-0.5 4,-1.2 -5,-0.2 5,-0.2 0.857 120.3 44.8 -85.5 -37.4 127.2 12.9 9.5 37 109 A Q H X S+ 0 0 86 -4,-4.4 4,-1.3 1,-0.2 -3,-0.2 0.861 120.6 40.3 -77.5 -32.2 125.2 11.9 6.5 38 110 A T H < S+ 0 0 9 -4,-2.0 4,-0.5 -5,-0.5 -1,-0.2 0.463 108.7 63.8 -94.2 1.7 128.2 10.2 4.8 39 111 A C H > S+ 0 0 0 -5,-0.2 4,-0.7 2,-0.1 -2,-0.2 0.829 114.3 30.3 -89.8 -36.4 129.3 8.7 8.2 40 112 A E H X S+ 0 0 43 -4,-1.2 4,-1.6 2,-0.2 5,-0.2 0.835 117.7 56.3 -89.0 -37.5 126.2 6.6 8.6 41 113 A A H X S+ 0 0 8 -4,-1.3 4,-1.2 -5,-0.2 57,-0.3 0.834 100.5 60.0 -67.5 -27.6 125.6 6.0 4.9 42 114 A I H > S+ 0 0 0 -4,-0.5 4,-1.6 2,-0.2 3,-0.4 0.975 115.0 34.4 -62.6 -49.5 129.1 4.5 4.4 43 115 A L H X S+ 0 0 0 -4,-0.7 4,-2.1 1,-0.3 -1,-0.2 0.758 114.7 59.1 -77.8 -17.4 128.3 1.8 6.9 44 116 A S H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 -1,-0.3 0.751 100.9 57.5 -78.9 -17.3 124.8 2.0 5.6 45 117 A A H X S+ 0 0 0 -4,-1.2 4,-4.9 -3,-0.4 5,-0.3 0.943 108.5 42.5 -76.1 -44.0 126.4 1.1 2.2 46 118 A V H X S+ 0 0 0 -4,-1.6 4,-3.7 2,-0.2 5,-0.2 0.919 112.4 56.5 -66.1 -37.4 127.9 -2.0 3.7 47 119 A Y H X S+ 0 0 10 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.974 115.5 35.3 -55.4 -55.8 124.5 -2.5 5.3 48 120 A S H X S+ 0 0 8 -4,-2.8 4,-1.7 2,-0.2 5,-0.2 0.930 115.3 55.5 -69.0 -40.7 122.9 -2.3 1.9 49 121 A N H X S+ 0 0 20 -4,-4.9 4,-5.7 1,-0.2 5,-0.5 0.940 107.4 52.8 -57.1 -39.3 125.9 -4.1 0.2 50 122 A N H X>S+ 0 0 0 -4,-3.7 4,-2.5 1,-0.3 5,-0.7 0.946 110.7 43.7 -61.0 -43.6 125.1 -6.8 2.8 51 123 A K H <5S+ 0 0 72 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.690 122.0 42.6 -74.8 -12.7 121.5 -6.9 1.7 52 124 A D H X5S+ 0 0 51 -4,-1.7 4,-1.1 -3,-0.3 -2,-0.2 0.823 120.1 39.1 -95.6 -43.8 122.9 -6.8 -1.8 53 125 A Q H X5S+ 0 0 62 -4,-5.7 4,-1.2 -5,-0.2 5,-0.3 0.942 124.2 39.5 -73.6 -49.0 125.7 -9.3 -1.4 54 126 A C H X5S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.5 3,-0.3 0.980 118.5 46.8 -67.2 -53.5 123.8 -11.6 0.9 55 127 A C H >X S+ 0 0 39 -4,-1.2 4,-1.2 -3,-0.3 3,-0.9 0.772 120.6 63.0 -78.6 -26.1 123.2 -15.5 -3.6 58 130 A L H 3X>S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.3 5,-1.8 0.893 93.1 60.4 -67.6 -37.3 120.1 -15.6 -1.3 59 131 A I H 3<5S+ 0 0 128 -4,-3.3 -1,-0.3 1,-0.2 -2,-0.2 0.688 104.3 54.9 -64.3 -12.0 117.7 -14.9 -4.1 60 132 A S H <45S+ 0 0 88 -3,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.832 109.8 41.6 -90.1 -34.7 119.2 -18.1 -5.5 61 133 A K H <5S- 0 0 63 -4,-1.2 -2,-0.2 -3,-0.3 -3,-0.1 0.746 110.2-121.3 -81.0 -24.2 118.4 -20.3 -2.5 62 134 A G T <5 + 0 0 64 -4,-2.3 -3,-0.2 -5,-0.2 -4,-0.1 0.869 62.6 148.2 83.9 38.4 115.0 -18.6 -2.1 63 135 A V < - 0 0 42 -5,-1.8 2,-0.3 -8,-0.1 -8,-0.0 0.252 51.7-103.4 -82.8-150.0 115.8 -17.5 1.4 64 136 A S > - 0 0 65 1,-0.1 4,-0.7 99,-0.1 5,-0.0 -0.836 25.7-179.2-147.9 101.6 114.7 -14.4 3.3 65 137 A I H > S+ 0 0 32 -2,-0.3 4,-5.3 1,-0.2 5,-0.3 0.661 72.1 83.5 -76.9 -15.7 117.2 -11.5 3.7 66 138 A T H > S+ 0 0 85 2,-0.3 4,-3.1 1,-0.2 -1,-0.2 0.948 93.1 46.0 -54.8 -48.8 114.7 -9.5 5.7 67 139 A P H > S+ 0 0 41 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.921 116.3 46.0 -61.8 -38.5 115.7 -11.4 8.9 68 140 A F H >X S+ 0 0 0 -4,-0.7 4,-2.4 2,-0.2 3,-0.7 0.952 109.4 53.5 -68.3 -43.3 119.3 -10.8 7.8 69 141 A L H 3X S+ 0 0 26 -4,-5.3 4,-3.4 1,-0.3 5,-0.3 0.939 102.6 60.0 -55.5 -40.0 118.5 -7.1 7.1 70 142 A K H 3X S+ 0 0 46 -4,-3.1 4,-0.8 -5,-0.3 -1,-0.3 0.903 106.9 47.0 -53.0 -40.6 117.2 -7.1 10.6 71 143 A E H XX S+ 0 0 71 -4,-1.3 4,-1.6 -3,-0.7 3,-1.6 0.981 112.9 44.1 -70.3 -54.9 120.7 -8.1 11.7 72 144 A I H 3X S+ 0 0 0 -4,-2.4 4,-3.8 1,-0.3 5,-0.2 0.907 108.7 61.2 -58.7 -30.0 122.6 -5.5 9.6 73 145 A G H 3X S+ 0 0 0 -4,-3.4 4,-0.7 -5,-0.3 -1,-0.3 0.823 99.9 57.0 -62.8 -25.5 119.9 -3.1 10.9 74 146 A E H XX S+ 0 0 77 -3,-1.6 4,-4.4 -4,-0.8 3,-1.7 0.995 111.6 37.8 -65.8 -60.3 121.2 -3.9 14.3 75 147 A A H 3X S+ 0 0 6 -4,-1.6 4,-3.2 1,-0.3 6,-0.2 0.929 117.4 54.1 -55.0 -40.4 124.6 -2.8 13.4 76 148 A A H 3<>S+ 0 0 0 -4,-3.8 5,-1.2 -5,-0.3 -1,-0.3 0.669 115.1 40.3 -68.6 -15.5 122.7 -0.1 11.5 77 149 A Q H <<5S+ 0 0 96 -3,-1.7 3,-0.4 -4,-0.7 -2,-0.2 0.822 120.3 41.6 -97.5 -44.5 121.0 0.8 14.7 78 150 A N H <5S+ 0 0 115 -4,-4.4 -2,-0.2 1,-0.2 -3,-0.2 0.796 109.1 60.4 -73.5 -29.8 123.9 0.4 17.0 79 151 A A T <5S- 0 0 3 -4,-3.2 -1,-0.2 -5,-0.5 -3,-0.2 0.738 122.2-103.5 -73.4 -18.4 126.2 2.2 14.5 80 152 A G T 5S+ 0 0 34 -3,-0.4 -3,-0.2 -5,-0.2 -2,-0.1 0.636 90.5 108.5 107.3 18.1 124.0 5.3 14.7 81 153 A L < + 0 0 2 -5,-1.2 12,-0.6 -6,-0.2 2,-0.1 -0.499 39.7 140.0-127.3 68.9 122.0 5.2 11.5 82 154 A P + 0 0 71 0, 0.0 12,-0.3 0, 0.0 3,-0.1 -0.354 5.9 125.6 -97.1 179.8 118.4 4.2 12.4 83 155 A G + 0 0 64 8,-0.4 2,-0.3 1,-0.3 -6,-0.0 0.336 61.8 62.2 149.2 -7.5 115.0 5.6 10.9 84 156 A E E +A 91 0A 103 7,-1.7 7,-3.7 2,-0.0 -1,-0.3 -0.999 44.8 159.3-145.6 147.0 112.9 2.6 9.7 85 157 A I E +A 90 0A 113 -2,-0.3 5,-0.3 5,-0.3 2,-0.1 -0.971 3.5 162.2-162.5 146.4 111.3 -0.5 11.3 86 158 A K + 0 0 91 3,-3.9 2,-2.6 -2,-0.3 3,-0.5 -0.264 63.0 3.2-139.4-132.5 108.5 -2.9 10.3 87 159 A N S S- 0 0 166 1,-0.3 3,-0.1 -2,-0.1 -1,-0.0 -0.328 133.0 -45.4 -63.3 76.9 107.2 -6.4 11.3 88 160 A G S S+ 0 0 75 -2,-2.6 2,-0.3 1,-0.2 -1,-0.3 0.849 123.1 107.5 64.9 31.3 109.9 -7.0 14.1 89 161 A V - 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