==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 17-FEB-10 2KUB . COMPND 2 MOLECULE: FIMBRIAE-ASSOCIATED PROTEIN FAP1; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PARASANGUINIS; . AUTHOR S.RAMBOARINA,J.A.GARNETT,A.BODEY,P.SIMPSON,B.BARDIAUX,M.NILG . 81 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5291.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 68 84.0 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 . 3 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 80.2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 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 1 128 A E > 0 0 213 0, 0.0 4,-0.9 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -35.5 -14.6 -9.2 3.4 2 129 A N H > + 0 0 85 1,-0.2 4,-2.1 2,-0.2 3,-0.3 0.836 360.0 53.7 -65.0 -30.3 -12.0 -9.4 0.6 3 130 A L H > S+ 0 0 20 1,-0.2 4,-3.6 2,-0.2 5,-0.3 0.798 97.3 64.4 -76.3 -28.3 -10.9 -5.8 1.4 4 131 A D H > S+ 0 0 117 -3,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.839 109.6 40.6 -60.5 -32.9 -10.4 -6.7 5.0 5 132 A K H X S+ 0 0 152 -4,-0.9 4,-2.6 -3,-0.3 -2,-0.2 0.919 116.8 48.4 -79.0 -46.2 -7.7 -9.0 3.8 6 133 A M H X S+ 0 0 57 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.901 111.1 49.6 -61.5 -45.1 -6.4 -6.6 1.2 7 134 A I H X S+ 0 0 8 -4,-3.6 4,-1.8 2,-0.2 -1,-0.2 0.933 116.0 41.3 -64.5 -44.6 -6.2 -3.7 3.5 8 135 A S H X S+ 0 0 45 -4,-1.1 4,-2.1 -5,-0.3 -1,-0.2 0.862 112.8 55.3 -73.1 -34.0 -4.3 -5.5 6.3 9 136 A E H X S+ 0 0 100 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.893 109.7 46.9 -60.4 -39.5 -2.2 -7.2 3.6 10 137 A A H X S+ 0 0 1 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.812 107.7 55.3 -74.4 -29.6 -1.3 -3.7 2.4 11 138 A E H X S+ 0 0 77 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.857 109.3 48.8 -64.7 -35.0 -0.7 -2.8 6.1 12 139 A V H X S+ 0 0 75 -4,-2.1 4,-3.4 2,-0.2 5,-0.3 0.932 110.5 49.0 -67.4 -48.0 1.7 -5.7 6.0 13 140 A L H X S+ 0 0 22 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.920 112.8 49.1 -54.0 -45.4 3.3 -4.4 2.8 14 141 A N H X S+ 0 0 44 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.938 113.4 46.2 -60.2 -48.6 3.5 -1.0 4.4 15 142 A D H X S+ 0 0 66 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.944 114.5 46.2 -59.7 -50.1 5.1 -2.5 7.5 16 143 A M H X S+ 0 0 88 -4,-3.4 4,-2.5 1,-0.2 -1,-0.2 0.877 112.6 50.3 -65.7 -37.5 7.6 -4.7 5.6 17 144 A A H X S+ 0 0 0 -4,-2.6 4,-3.0 -5,-0.3 -1,-0.2 0.870 109.2 52.1 -68.3 -35.5 8.5 -1.8 3.3 18 145 A A H X S+ 0 0 34 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.935 110.3 48.6 -61.4 -44.9 9.1 0.3 6.5 19 146 A R H < S+ 0 0 146 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.888 115.1 44.5 -61.3 -41.8 11.4 -2.5 7.8 20 147 A K H >X S+ 0 0 43 -4,-2.5 4,-1.6 2,-0.2 3,-1.0 0.899 108.5 58.4 -70.1 -40.8 13.2 -2.5 4.5 21 148 A L H >< S+ 0 0 14 -4,-3.0 3,-0.7 1,-0.3 -2,-0.2 0.933 104.3 49.8 -53.5 -51.7 13.4 1.3 4.3 22 149 A I T 3< S+ 0 0 127 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.656 115.6 44.8 -66.1 -15.3 15.2 1.6 7.6 23 150 A T T <4 S+ 0 0 107 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.630 100.5 87.5 -99.5 -17.7 17.7 -1.1 6.3 24 151 A L S << S- 0 0 27 -4,-1.6 2,-0.1 -3,-0.7 -3,-0.0 -0.370 83.8-104.1 -81.3 158.2 18.1 0.4 2.8 25 152 A D > - 0 0 120 -2,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.319 46.0 -94.3 -71.1 168.0 20.6 3.0 1.7 26 153 A A H > S+ 0 0 64 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.917 119.1 46.9 -58.4 -57.2 19.2 6.5 1.2 27 154 A E H > S+ 0 0 132 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.892 118.9 42.3 -53.3 -44.3 18.5 6.6 -2.6 28 155 A Q H > S+ 0 0 62 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.876 112.9 53.1 -72.6 -36.1 16.7 3.2 -2.4 29 156 A Q H X S+ 0 0 61 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.887 110.3 48.9 -66.2 -37.4 14.9 4.1 0.8 30 157 A L H X S+ 0 0 76 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.936 111.7 46.6 -69.8 -48.1 13.6 7.3 -0.8 31 158 A E H X S+ 0 0 99 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.952 118.4 41.4 -60.7 -49.3 12.3 5.6 -4.0 32 159 A L H X S+ 0 0 2 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.778 110.4 60.9 -69.3 -24.9 10.7 2.8 -2.0 33 160 A M H X S+ 0 0 86 -4,-1.5 4,-3.0 -5,-0.3 -2,-0.2 0.915 103.8 48.5 -63.5 -45.2 9.6 5.5 0.4 34 161 A K H X S+ 0 0 138 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.941 113.2 46.4 -59.8 -48.6 7.7 7.2 -2.4 35 162 A S H X S+ 0 0 29 -4,-2.1 4,-3.2 1,-0.2 -2,-0.2 0.909 112.9 51.0 -58.6 -42.5 6.1 3.9 -3.3 36 163 A L H X S+ 0 0 12 -4,-2.7 4,-3.7 2,-0.2 5,-0.3 0.900 108.8 51.5 -59.1 -44.3 5.4 3.4 0.4 37 164 A V H X S+ 0 0 66 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.936 112.0 45.8 -58.1 -48.5 3.8 6.8 0.5 38 165 A A H X S+ 0 0 38 -4,-2.8 4,-2.7 2,-0.2 5,-0.3 0.957 116.8 45.6 -59.9 -49.5 1.6 5.9 -2.5 39 166 A T H X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.948 115.8 44.6 -56.9 -53.9 0.7 2.6 -0.9 40 167 A Q H X S+ 0 0 83 -4,-3.7 4,-2.8 2,-0.2 -1,-0.2 0.819 112.7 53.5 -64.1 -32.0 0.1 4.0 2.6 41 168 A S H X S+ 0 0 67 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.959 114.1 38.8 -69.6 -49.7 -1.9 6.9 1.1 42 169 A Q H X S+ 0 0 42 -4,-2.7 4,-3.2 2,-0.2 5,-0.2 0.797 113.1 60.4 -70.6 -27.5 -4.3 4.6 -0.9 43 170 A L H X S+ 0 0 19 -4,-2.4 4,-3.3 -5,-0.3 -2,-0.2 0.969 108.2 42.0 -54.4 -56.3 -4.1 2.4 2.2 44 171 A E H X S+ 0 0 145 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.886 114.0 54.1 -59.5 -40.0 -5.6 5.2 4.3 45 172 A A H X S+ 0 0 28 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.957 113.4 40.1 -59.2 -52.1 -8.0 5.9 1.4 46 173 A T H X S+ 0 0 1 -4,-3.2 4,-3.1 2,-0.2 5,-0.3 0.933 112.9 55.0 -64.3 -48.0 -9.3 2.3 1.3 47 174 A K H X S+ 0 0 90 -4,-3.3 4,-0.7 1,-0.2 -1,-0.2 0.853 114.9 42.1 -50.9 -37.8 -9.3 2.1 5.1 48 175 A N H X S+ 0 0 98 -4,-2.1 4,-1.7 -5,-0.2 3,-0.4 0.927 114.0 50.1 -75.1 -45.9 -11.4 5.2 5.1 49 176 A L H < S+ 0 0 32 -4,-3.1 6,-0.3 1,-0.2 -2,-0.2 0.835 104.1 57.5 -66.5 -35.9 -13.6 4.1 2.2 50 177 A I H < S+ 0 0 83 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.851 116.1 37.1 -65.1 -32.1 -14.4 0.7 3.6 51 178 A G H < S+ 0 0 55 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.688 101.2 89.1 -88.4 -21.4 -15.8 2.4 6.7 52 179 A D >< - 0 0 50 -4,-1.7 3,-0.7 1,-0.2 -1,-0.0 -0.698 56.8-167.8 -83.4 111.5 -17.3 5.2 4.7 53 180 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 0.579 88.7 64.4 -72.9 -9.2 -20.9 4.3 3.6 54 181 A N T 3 S+ 0 0 131 2,-0.1 2,-0.3 -5,-0.0 -5,-0.1 0.753 80.1 94.9 -83.7 -28.4 -20.7 7.4 1.3 55 182 A A S < S- 0 0 16 -3,-0.7 2,-0.1 -6,-0.3 0, 0.0 -0.495 74.8-139.9 -62.8 126.2 -17.9 5.7 -0.7 56 183 A T > - 0 0 73 -2,-0.3 4,-3.1 1,-0.1 5,-0.3 -0.368 24.5-101.2 -87.9 168.8 -19.5 4.0 -3.6 57 184 A V H > S+ 0 0 121 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.899 125.9 48.9 -55.9 -39.7 -18.6 0.5 -5.0 58 185 A A H > S+ 0 0 52 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.948 111.7 47.3 -65.2 -49.1 -16.7 2.3 -7.8 59 186 A D H > S+ 0 0 74 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.940 118.1 42.8 -55.4 -48.7 -14.8 4.6 -5.4 60 187 A L H X S+ 0 0 35 -4,-3.1 4,-2.9 2,-0.2 -2,-0.2 0.918 114.7 48.8 -65.2 -47.0 -14.0 1.7 -3.2 61 188 A Q H X S+ 0 0 91 -4,-3.2 4,-2.5 -5,-0.3 -1,-0.2 0.869 111.5 50.7 -62.7 -38.3 -13.1 -0.6 -6.1 62 189 A I H X S+ 0 0 98 -4,-3.0 4,-3.1 2,-0.2 5,-0.3 0.906 109.8 50.1 -65.4 -41.2 -10.9 2.1 -7.5 63 190 A A H X S+ 0 0 0 -4,-2.4 4,-3.2 -5,-0.2 5,-0.3 0.943 112.2 47.5 -59.5 -47.4 -9.2 2.5 -4.1 64 191 A Y H X S+ 0 0 68 -4,-2.9 4,-2.9 2,-0.2 -2,-0.2 0.891 112.0 52.2 -57.1 -42.2 -8.7 -1.3 -4.1 65 192 A T H X S+ 0 0 64 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.971 115.0 38.3 -59.8 -57.5 -7.4 -1.0 -7.7 66 193 A T H X S+ 0 0 48 -4,-3.1 4,-3.1 2,-0.2 -2,-0.2 0.899 117.3 50.6 -65.0 -41.9 -4.8 1.7 -6.9 67 194 A L H X S+ 0 0 5 -4,-3.2 4,-3.0 -5,-0.3 5,-0.2 0.938 112.0 48.6 -60.2 -47.0 -3.9 0.1 -3.5 68 195 A G H X S+ 0 0 19 -4,-2.9 4,-2.7 -5,-0.3 -2,-0.2 0.926 113.1 47.1 -54.8 -46.7 -3.5 -3.2 -5.3 69 196 A N H X S+ 0 0 80 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.898 112.5 50.1 -63.6 -40.6 -1.3 -1.5 -7.9 70 197 A N H X S+ 0 0 29 -4,-3.1 4,-3.5 2,-0.2 5,-0.3 0.903 112.6 45.7 -65.3 -42.1 0.7 0.3 -5.2 71 198 A T H X S+ 0 0 18 -4,-3.0 4,-2.9 2,-0.2 5,-0.2 0.887 112.9 50.9 -69.0 -39.6 1.2 -3.0 -3.3 72 199 A Q H X S+ 0 0 132 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.930 116.6 41.9 -56.6 -45.4 2.2 -4.7 -6.6 73 200 A A H X S+ 0 0 45 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.970 118.6 42.5 -69.0 -55.1 4.6 -1.8 -7.3 74 201 A L H X S+ 0 0 0 -4,-3.5 4,-2.4 1,-0.2 -3,-0.2 0.910 115.3 51.5 -58.7 -45.6 6.0 -1.5 -3.7 75 202 A G H X S+ 0 0 13 -4,-2.9 4,-2.5 -5,-0.3 -1,-0.2 0.913 108.6 51.0 -56.5 -44.4 6.1 -5.3 -3.5 76 203 A N H X S+ 0 0 95 -4,-2.3 4,-1.5 -5,-0.2 -2,-0.2 0.896 110.9 49.2 -58.9 -40.5 8.0 -5.4 -6.8 77 204 A E H X S+ 0 0 36 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.845 109.1 52.3 -67.6 -34.8 10.4 -2.8 -5.3 78 205 A L H < S+ 0 0 24 -4,-2.4 3,-0.2 1,-0.2 -2,-0.2 0.905 112.8 44.3 -66.1 -40.8 10.8 -4.9 -2.2 79 206 A I H < S+ 0 0 144 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.742 102.4 70.1 -75.0 -23.7 11.7 -7.9 -4.4 80 207 A K H < 0 0 113 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.911 360.0 360.0 -59.2 -45.5 14.0 -5.7 -6.5 81 208 A L < 0 0 93 -4,-1.1 -3,-0.1 -3,-0.2 -2,-0.1 0.748 360.0 360.0-103.0 360.0 16.5 -5.4 -3.7