==== 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 CELL INVASION 15-OCT-03 1R6E . 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) . 8638.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 125 74.4 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 . 4 2.4 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 . 6 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 56.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 4.2 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 0 1 0 1 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 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 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 74 0, 0.0 16,-0.0 0, 0.0 9,-0.0 0.000 360.0 360.0 360.0 176.1 146.4 7.4 -13.0 2 74 A G + 0 0 71 4,-0.0 2,-0.2 12,-0.0 8,-0.0 -0.326 360.0 129.6-148.9 62.5 146.4 8.4 -16.7 3 75 A R - 0 0 161 1,-0.0 0, 0.0 7,-0.0 0, 0.0 -0.728 64.2-116.8-113.7 165.6 148.0 5.7 -19.0 4 76 A A S S+ 0 0 103 -2,-0.2 -1,-0.0 1,-0.1 0, 0.0 0.298 113.0 17.4 -84.7 14.6 146.6 4.1 -22.2 5 77 A V + 0 0 104 2,-0.1 2,-2.4 5,-0.0 -1,-0.1 0.410 69.4 164.6-144.4 -54.5 146.5 0.7 -20.4 6 78 A L + 0 0 39 4,-0.1 3,-0.2 2,-0.1 -2,-0.1 -0.344 24.8 177.6 62.8 -76.4 146.6 1.1 -16.6 7 79 A T + 0 0 82 -2,-2.4 2,-4.0 1,-0.2 -2,-0.1 0.369 54.3 34.9 59.3 160.0 145.4 -2.5 -15.9 8 80 A S S S+ 0 0 108 1,-0.1 2,-0.3 4,-0.0 -1,-0.2 -0.180 134.9 19.6 61.9 -59.5 145.0 -4.0 -12.3 9 81 A K S S+ 0 0 80 -2,-4.0 -1,-0.1 -3,-0.2 -3,-0.0 -0.694 78.4 126.4-142.6 85.6 143.9 -0.6 -10.9 10 82 A T S > S+ 0 0 20 -2,-0.3 4,-3.2 3,-0.1 5,-0.2 0.803 93.0 15.9-102.0 -65.2 142.6 1.8 -13.5 11 83 A V H >>S+ 0 0 0 2,-0.3 4,-6.4 1,-0.2 5,-0.7 0.952 124.6 61.8 -71.9 -48.6 139.3 2.9 -12.3 12 84 A K H >5S+ 0 0 77 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.888 111.4 41.9 -42.7 -36.7 140.2 1.5 -9.0 13 85 A D H >5S+ 0 0 25 2,-0.2 4,-3.2 3,-0.2 -2,-0.3 0.955 118.3 40.7 -79.6 -52.3 142.9 4.1 -9.3 14 86 A F H X5S+ 0 0 20 -4,-3.2 4,-2.7 2,-0.2 -2,-0.2 0.839 116.3 53.5 -66.9 -26.3 140.8 6.9 -10.6 15 87 A M H X5S+ 0 0 0 -4,-6.4 4,-3.4 2,-0.2 -1,-0.2 0.905 111.0 45.8 -73.1 -38.0 138.1 5.8 -8.2 16 88 A L H XS+ 0 0 1 -4,-3.4 4,-0.9 1,-0.3 5,-0.5 0.910 113.5 43.4 -45.2 -50.8 137.8 8.9 -3.3 20 92 A N H ><5S+ 0 0 67 -4,-3.2 3,-0.6 1,-0.2 -1,-0.3 0.925 119.2 42.9 -64.4 -43.9 140.8 11.0 -2.1 21 93 A S H 3<5S+ 0 0 105 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.637 104.1 66.2 -79.7 -9.1 139.5 14.1 -3.9 22 94 A L H 3<5S- 0 0 32 -4,-2.4 5,-0.2 -5,-0.2 -1,-0.2 0.750 84.9-164.0 -79.7 -22.4 136.0 13.2 -2.6 23 95 A D T S+ 0 0 77 2,-0.2 4,-2.2 3,-0.1 -1,-0.2 0.842 105.8 57.3 -93.9 -39.9 136.0 13.6 5.8 26 98 A G H > S+ 0 0 17 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.922 113.0 43.4 -58.8 -39.4 136.8 17.1 4.8 27 99 A N H X S+ 0 0 32 -4,-2.4 4,-3.8 2,-0.2 8,-0.4 0.930 111.2 53.2 -73.4 -39.3 133.2 17.6 3.8 28 100 A A H < S+ 0 0 16 -4,-0.8 -2,-0.2 -5,-0.4 7,-0.2 0.806 115.5 43.9 -63.4 -22.5 132.2 15.8 7.0 29 101 A S H < S+ 0 0 107 -4,-2.2 -2,-0.2 1,-0.1 -1,-0.2 0.876 124.0 32.1 -88.5 -41.5 134.5 18.5 8.7 30 102 A K H < S+ 0 0 124 -4,-3.2 -3,-0.2 1,-0.2 -2,-0.2 0.840 123.9 50.0 -82.6 -33.9 133.3 21.5 6.6 31 103 A D X - 0 0 57 -4,-3.8 4,-2.7 -5,-0.3 -1,-0.2 -0.874 59.7-173.6-111.2 105.3 129.8 20.2 6.3 32 104 A P H > S+ 0 0 101 0, 0.0 4,-0.7 0, 0.0 -1,-0.1 0.618 95.0 48.9 -71.1 -7.8 128.2 19.1 9.5 33 105 A A H > S+ 0 0 64 2,-0.2 4,-2.3 -6,-0.2 5,-0.3 0.825 107.2 52.9 -94.7 -40.8 125.3 17.9 7.3 34 106 A Y H > S+ 0 0 51 -7,-0.3 4,-1.6 1,-0.2 -6,-0.3 0.922 107.1 53.5 -57.7 -43.1 127.6 16.1 5.0 35 107 A A H X S+ 0 0 12 -4,-2.7 4,-2.5 -8,-0.4 5,-0.5 0.930 106.7 51.6 -60.0 -43.5 129.1 14.4 8.1 36 108 A R H X S+ 0 0 121 -4,-0.7 4,-1.0 1,-0.2 5,-0.4 0.901 116.9 39.5 -61.2 -38.7 125.5 13.2 9.1 37 109 A Q H < S+ 0 0 120 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.624 122.9 41.9 -85.8 -14.1 125.0 11.8 5.6 38 110 A T H < S+ 0 0 4 -4,-1.6 -2,-0.2 -5,-0.3 -3,-0.2 0.589 115.3 46.9-108.3 -12.9 128.6 10.5 5.3 39 111 A C H X S+ 0 0 0 -4,-2.5 4,-0.8 -5,-0.2 -3,-0.2 0.843 124.8 29.4 -94.9 -41.3 129.0 9.1 8.9 40 112 A E H X S+ 0 0 29 -4,-1.0 4,-1.3 -5,-0.5 -3,-0.2 0.858 123.0 49.7 -86.0 -36.9 125.7 7.2 9.1 41 113 A A H > S+ 0 0 3 -5,-0.4 4,-0.8 2,-0.2 7,-0.2 0.740 103.8 61.2 -76.8 -18.0 125.4 6.5 5.3 42 114 A I H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.974 114.9 32.4 -69.9 -50.9 129.0 5.1 5.1 43 115 A L H X S+ 0 0 0 -4,-0.8 4,-2.1 1,-0.2 -2,-0.2 0.794 119.8 53.8 -77.8 -19.4 128.3 2.3 7.6 44 116 A S H X S+ 0 0 0 -4,-1.3 4,-3.2 2,-0.2 -1,-0.2 0.745 104.0 57.9 -82.2 -15.9 124.8 2.3 6.1 45 117 A A H X S+ 0 0 0 -4,-0.8 4,-5.0 2,-0.2 5,-0.3 0.944 110.0 40.8 -75.7 -44.0 126.6 1.9 2.8 46 118 A V H X S+ 0 0 1 -4,-2.0 4,-3.6 2,-0.2 5,-0.2 0.924 114.8 54.0 -67.8 -38.0 128.2 -1.2 4.0 47 119 A Y H X S+ 0 0 1 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.973 115.9 37.8 -56.3 -54.8 124.9 -2.0 5.6 48 120 A S H X S+ 0 0 3 -4,-3.2 4,-1.7 2,-0.2 -2,-0.2 0.934 114.7 53.2 -67.5 -42.4 123.3 -1.5 2.2 49 121 A N H X>S+ 0 0 13 -4,-5.0 4,-5.7 1,-0.2 5,-0.5 0.944 109.3 52.4 -58.2 -39.1 126.2 -3.1 0.3 50 122 A N H X>S+ 0 0 2 -4,-3.6 4,-2.4 -5,-0.3 5,-0.8 0.952 110.9 44.1 -59.8 -44.9 125.6 -6.0 2.7 51 123 A K H <5S+ 0 0 48 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.699 122.5 41.2 -73.3 -14.7 122.0 -6.0 1.7 52 124 A D H X5S+ 0 0 61 -4,-1.7 4,-1.2 -3,-0.3 -2,-0.2 0.838 121.2 38.1 -95.5 -46.3 123.2 -5.7 -1.9 53 125 A Q H X5S+ 0 0 75 -4,-5.7 4,-1.2 -5,-0.2 5,-0.2 0.936 124.1 40.6 -74.0 -46.3 126.1 -8.0 -1.9 54 126 A C H XX S+ 0 0 31 -4,-1.2 4,-1.0 -3,-0.4 3,-0.6 0.775 122.2 60.0 -81.1 -26.5 123.7 -14.1 -4.3 58 130 A L H 3X>S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 5,-1.9 0.902 95.7 58.9 -69.3 -39.6 120.8 -14.6 -1.9 59 131 A I H 3<5S+ 0 0 125 -4,-3.7 -1,-0.2 1,-0.2 -2,-0.2 0.680 102.5 58.9 -64.5 -11.0 118.2 -13.6 -4.5 60 132 A S H <45S+ 0 0 92 -3,-0.6 -1,-0.2 -5,-0.2 -2,-0.2 0.858 108.6 40.4 -86.1 -35.7 119.7 -16.5 -6.4 61 133 A K H <5S- 0 0 63 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.1 0.749 112.4-120.5 -80.0 -24.6 118.8 -19.1 -3.7 62 134 A G T <5 + 0 0 61 -4,-2.2 -3,-0.2 -5,-0.2 -4,-0.1 0.826 63.0 149.0 86.2 33.7 115.5 -17.3 -3.1 63 135 A V < - 0 0 49 -5,-1.9 2,-0.3 -8,-0.1 -8,-0.0 0.347 51.5-101.4 -76.7-149.0 116.4 -16.7 0.5 64 136 A S > + 0 0 73 1,-0.1 4,-0.6 99,-0.1 5,-0.1 -0.816 28.6 178.3-147.8 100.1 115.4 -13.8 2.7 65 137 A I H > S+ 0 0 27 -2,-0.3 4,-5.5 1,-0.2 5,-0.3 0.648 70.1 85.1 -77.6 -15.0 117.9 -10.9 3.3 66 138 A T H > S+ 0 0 85 2,-0.3 4,-3.6 1,-0.2 -1,-0.2 0.941 91.3 47.0 -54.0 -49.0 115.3 -9.1 5.5 67 139 A P H > S+ 0 0 52 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.920 117.6 43.3 -61.3 -38.8 116.4 -11.0 8.5 68 140 A F H X S+ 0 0 0 -4,-0.6 4,-2.6 2,-0.2 3,-0.4 0.947 111.6 53.1 -70.8 -43.2 120.0 -10.3 7.6 69 141 A L H X S+ 0 0 26 -4,-5.5 4,-3.4 1,-0.3 5,-0.3 0.945 104.8 57.3 -55.3 -41.8 119.0 -6.7 6.8 70 142 A K H X S+ 0 0 56 -4,-3.6 4,-0.8 -5,-0.3 -1,-0.3 0.899 107.9 47.9 -54.1 -40.7 117.6 -6.7 10.3 71 143 A E H >X S+ 0 0 46 -4,-1.4 4,-1.8 -3,-0.4 3,-1.1 0.975 113.2 43.0 -70.7 -52.4 121.1 -7.7 11.6 72 144 A I H 3X S+ 0 0 0 -4,-2.6 4,-3.8 1,-0.3 5,-0.2 0.917 110.3 59.7 -61.8 -30.3 123.1 -5.1 9.6 73 145 A G H 3X S+ 0 0 0 -4,-3.4 4,-1.0 -5,-0.4 -1,-0.3 0.819 100.8 57.3 -63.6 -24.6 120.3 -2.7 10.7 74 146 A E H XX S+ 0 0 79 -3,-1.1 4,-4.3 -4,-0.8 3,-1.6 0.996 111.2 38.1 -66.2 -60.3 121.3 -3.7 14.3 75 147 A A H 3X S+ 0 0 8 -4,-1.8 4,-2.9 1,-0.3 6,-0.2 0.930 117.3 53.8 -54.2 -40.8 124.8 -2.5 13.6 76 148 A A H 3<>S+ 0 0 0 -4,-3.8 5,-1.5 -5,-0.3 -1,-0.3 0.704 114.7 41.0 -68.4 -17.1 123.1 0.2 11.7 77 149 A Q H X<5S+ 0 0 99 -3,-1.6 3,-0.5 -4,-1.0 -2,-0.2 0.853 119.3 42.5 -94.6 -45.1 121.0 1.0 14.8 78 150 A N H 3<5S+ 0 0 117 -4,-4.3 -2,-0.2 1,-0.2 -3,-0.2 0.774 109.7 59.5 -71.6 -27.1 123.8 0.6 17.3 79 151 A A T 3<5S- 0 0 8 -4,-2.9 -1,-0.2 -5,-0.5 -3,-0.2 0.706 121.5-105.8 -77.2 -16.5 126.2 2.5 15.0 80 152 A G T < 5S+ 0 0 36 -3,-0.5 -3,-0.2 -5,-0.2 -2,-0.1 0.652 84.8 117.4 102.4 18.8 123.9 5.6 15.1 81 153 A L < + 0 0 1 -5,-1.5 2,-0.2 -6,-0.2 -2,-0.1 -0.766 34.3 158.3-122.7 88.5 122.2 5.4 11.7 82 154 A P + 0 0 80 0, 0.0 11,-1.5 0, 0.0 12,-0.2 -0.525 15.2 123.5-100.8 169.7 118.5 4.9 12.0 83 155 A G E +A 92 0A 58 8,-0.4 2,-0.3 1,-0.4 10,-0.1 0.186 63.8 47.0 165.6 -32.6 115.6 5.6 9.5 84 156 A E E +A 91 0A 91 7,-3.6 7,-3.3 -11,-0.1 -1,-0.4 -0.959 49.4 160.7-135.7 153.7 113.5 2.6 8.7 85 157 A I E +A 90 0A 104 -2,-0.3 5,-0.3 5,-0.3 2,-0.2 -0.968 2.3 154.0-166.3 148.9 111.8 -0.2 10.6 86 158 A K + 0 0 131 3,-3.5 2,-2.7 -2,-0.3 3,-0.4 -0.468 65.4 2.2-149.9-136.9 109.0 -2.8 10.1 87 159 A N S S- 0 0 170 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 -0.304 133.9 -44.0 -62.2 75.7 108.0 -6.3 11.4 88 160 A G S S+ 0 0 67 -2,-2.7 2,-0.3 1,-0.3 -1,-0.3 0.785 122.2 110.7 69.1 25.2 110.9 -6.5 13.9 89 161 A V - 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