==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 22-FEB-10 2X6Y . COMPND 2 MOLECULE: TAIL SPIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA PHAGE HK620; . AUTHOR N.K.LORENZEN,J.J.MUELLER,U.HEINEMANN,R.SECKLER,S.BARBIRZ . 597 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23903.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 422 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 201 33.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 7.9 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 . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 1 0.2 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 . 51 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 5 17 11 4 3 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 . 4 4 1 1 0 1 0 0 0 1 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 1 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 1 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 1 113 A Q > 0 0 195 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -50.2 29.2 -23.3 -24.9 2 114 A F H > + 0 0 121 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.904 360.0 56.5 -69.1 -42.2 31.8 -24.0 -22.3 3 115 A R H > S+ 0 0 181 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.885 104.6 51.9 -59.2 -42.5 32.1 -20.3 -21.6 4 116 A A H > S+ 0 0 65 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.913 110.3 48.5 -58.9 -45.5 28.4 -20.0 -20.9 5 117 A I H >< S+ 0 0 64 -4,-1.4 3,-0.7 1,-0.2 5,-0.2 0.939 111.1 50.8 -60.0 -47.5 28.6 -22.9 -18.3 6 118 A I H 3< S+ 0 0 62 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.860 112.8 44.7 -63.6 -37.6 31.6 -21.3 -16.6 7 119 A E H 3< S+ 0 0 142 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.625 100.8 87.1 -82.4 -13.8 29.9 -17.9 -16.2 8 120 A S S X< S- 0 0 44 -4,-1.1 3,-2.2 -3,-0.7 4,-0.3 -0.295 100.8 -96.0 -77.2 169.3 26.7 -19.5 -15.0 9 121 A P T 3 S+ 0 0 139 0, 0.0 3,-0.2 0, 0.0 4,-0.1 0.656 126.4 56.8 -62.6 -15.3 25.9 -20.3 -11.4 10 122 A E T > S+ 0 0 136 -5,-0.2 3,-0.7 1,-0.2 21,-0.1 0.358 77.6 102.4 -91.7 4.3 27.1 -23.9 -12.1 11 123 A G G X S+ 0 0 3 -3,-2.2 3,-2.2 1,-0.3 4,-0.5 0.908 77.0 51.3 -53.2 -49.7 30.5 -22.7 -13.3 12 124 A A G > S+ 0 0 36 1,-0.3 19,-1.8 -4,-0.3 3,-0.7 0.769 101.1 65.2 -63.4 -25.7 32.4 -23.6 -10.2 13 125 A G G < S+ 0 0 28 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.381 103.4 47.6 -74.3 1.2 30.8 -27.1 -10.5 14 126 A H G < S+ 0 0 82 -3,-2.2 2,-0.6 -8,-0.1 -1,-0.2 0.413 89.0 91.3-117.5 -6.6 32.8 -27.6 -13.7 15 127 A V S < S- 0 0 63 -3,-0.7 15,-2.7 -4,-0.5 16,-0.2 -0.839 75.0-133.5 -95.3 117.6 36.3 -26.4 -12.5 16 128 A G E -A 29 0A 53 -2,-0.6 2,-0.3 13,-0.2 13,-0.3 -0.300 25.2-178.5 -76.6 154.1 38.3 -29.3 -11.3 17 129 A Y E -A 28 0A 91 11,-2.5 11,-3.0 9,-0.0 2,-0.4 -0.988 14.6-177.2-151.3 140.8 40.3 -29.4 -8.0 18 130 A Q > - 0 0 56 -2,-0.3 3,-1.9 9,-0.2 9,-0.1 -0.981 44.6 -98.6-140.4 127.5 42.5 -31.8 -6.2 19 131 A Y G > S- 0 0 131 7,-0.5 3,-3.1 -2,-0.4 6,-0.2 -0.203 94.5 -24.6 -55.1 119.5 43.9 -30.9 -2.8 20 132 A R G 3 S- 0 0 180 1,-0.3 -1,-0.3 3,-0.1 3,-0.1 0.724 112.8 -71.5 49.0 33.3 47.5 -29.7 -3.0 21 133 A R G < S+ 0 0 209 -3,-1.9 2,-0.6 1,-0.2 -1,-0.3 0.712 85.9 161.9 57.0 23.7 47.9 -31.6 -6.3 22 134 A N X - 0 0 80 -3,-3.1 3,-2.0 1,-0.2 -1,-0.2 -0.622 33.7-155.1 -75.5 115.9 47.9 -34.8 -4.2 23 135 A T T 3 S+ 0 0 129 -2,-0.6 -1,-0.2 1,-0.3 4,-0.1 0.699 93.8 59.9 -69.8 -14.5 47.2 -37.6 -6.7 24 136 A G T 3 S+ 0 0 69 -5,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.479 91.4 94.4 -85.1 -4.3 45.8 -39.6 -3.7 25 137 A S S < S- 0 0 36 -3,-2.0 2,-0.0 -6,-0.2 -5,-0.0 -0.460 88.5 -81.8 -88.0 161.7 43.2 -36.9 -3.0 26 138 A T - 0 0 101 -2,-0.1 2,-0.9 1,-0.1 -7,-0.5 -0.314 35.5-127.0 -56.8 134.1 39.6 -36.7 -4.2 27 139 A M + 0 0 158 -9,-0.1 -9,-0.2 -3,-0.1 2,-0.2 -0.796 50.7 161.6 -84.2 105.9 39.0 -35.4 -7.6 28 140 A R E -A 17 0A 65 -11,-3.0 -11,-2.5 -2,-0.9 2,-0.3 -0.530 38.7-113.3-115.9 179.4 36.5 -32.6 -6.8 29 141 A M E >> -A 16 0A 69 -13,-0.3 4,-1.2 -2,-0.2 3,-0.9 -0.855 32.1-112.1-111.2 156.0 35.0 -29.5 -8.3 30 142 A V H >> S+ 0 0 47 -15,-2.7 4,-2.4 -18,-0.6 3,-0.5 0.906 117.2 59.7 -52.9 -42.1 35.6 -26.0 -6.9 31 143 A S H 3> S+ 0 0 29 -19,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.854 98.7 58.5 -56.7 -36.8 31.9 -25.8 -5.9 32 144 A D H <4 S+ 0 0 67 -3,-0.9 -1,-0.2 -20,-0.3 4,-0.2 0.896 109.0 43.8 -59.5 -41.7 32.3 -28.8 -3.7 33 145 A V H X< S+ 0 0 43 -4,-1.2 3,-1.7 -3,-0.5 4,-0.2 0.924 113.5 49.6 -72.1 -42.4 35.0 -27.1 -1.7 34 146 A L H >< S+ 0 0 91 -4,-2.4 3,-1.5 1,-0.3 -2,-0.2 0.855 102.8 63.7 -63.7 -31.2 33.1 -23.8 -1.5 35 147 A D T 3< S+ 0 0 117 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.554 83.2 78.3 -70.1 -10.7 30.1 -25.8 -0.4 36 148 A E T < S+ 0 0 133 -3,-1.7 2,-0.3 -4,-0.2 -1,-0.3 0.636 100.8 39.6 -71.8 -15.9 32.0 -26.8 2.8 37 149 A R < - 0 0 119 -3,-1.5 2,-0.3 -4,-0.2 42,-0.1 -0.844 68.6-166.4-128.6 166.8 31.2 -23.4 4.3 38 150 A V - 0 0 29 40,-0.5 42,-1.9 -2,-0.3 2,-0.3 -0.978 5.4-179.6-154.1 140.6 28.2 -21.1 4.2 39 151 A S B > -b 80 0B 14 -2,-0.3 3,-1.8 40,-0.2 4,-0.2 -0.882 47.6 -97.8-136.0 169.9 27.5 -17.5 5.1 40 152 A L G >> S+ 0 0 2 40,-2.2 3,-2.0 -2,-0.3 4,-1.4 0.798 116.8 72.1 -56.8 -29.7 24.7 -15.1 5.1 41 153 A W G 34 S+ 0 0 72 1,-0.3 -1,-0.3 39,-0.2 11,-0.1 0.784 86.9 64.5 -57.2 -28.3 25.9 -13.9 1.7 42 154 A D G <4 S+ 0 0 75 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.566 117.5 24.6 -72.7 -7.4 24.7 -17.1 0.2 43 155 A F T <4 S+ 0 0 40 -3,-2.0 2,-1.7 -4,-0.2 -2,-0.2 0.419 93.4 97.7-131.3 -6.5 21.1 -16.2 1.1 44 156 A H < + 0 0 0 -4,-1.4 8,-2.7 5,-0.1 2,-0.3 -0.503 65.2 111.5 -92.3 69.5 21.1 -12.3 1.2 45 157 A C B -Y 51 0C 40 -2,-1.7 6,-0.2 6,-0.3 -3,-0.0 -0.909 66.2-107.3-141.9 160.9 19.8 -11.8 -2.3 46 158 A D > - 0 0 52 4,-2.6 3,-2.2 -2,-0.3 -1,-0.1 -0.160 52.9 -84.9 -79.8 177.8 16.8 -10.6 -4.3 47 159 A P T 3 S+ 0 0 141 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.674 130.6 54.0 -62.8 -18.6 14.4 -12.8 -6.2 48 160 A S T 3 S- 0 0 105 2,-0.1 -2,-0.0 0, 0.0 0, 0.0 0.355 122.2-106.8 -90.5 1.4 16.7 -12.8 -9.2 49 161 A G S < S+ 0 0 50 -3,-2.2 2,-0.4 1,-0.3 -5,-0.1 0.594 70.3 146.3 85.3 10.3 19.6 -14.0 -7.0 50 162 A N - 0 0 96 1,-0.1 -4,-2.6 0, 0.0 -1,-0.3 -0.709 54.9-108.8 -81.4 131.4 21.5 -10.7 -7.0 51 163 A V B -Y 45 0C 82 -2,-0.4 2,-0.4 -6,-0.2 -6,-0.3 -0.230 28.4-146.8 -59.0 141.8 23.3 -10.0 -3.7 52 164 A I - 0 0 37 -8,-2.7 -1,-0.1 -11,-0.1 -8,-0.0 -0.946 13.3-128.1-109.4 131.5 21.8 -7.2 -1.5 53 165 A Q - 0 0 109 -2,-0.4 -8,-0.0 1,-0.1 2,-0.0 -0.654 26.8-123.8 -75.4 132.3 24.1 -5.1 0.6 54 166 A P + 0 0 21 0, 0.0 33,-0.1 0, 0.0 32,-0.1 -0.297 49.2 130.5 -69.3 164.6 23.0 -4.9 4.3 55 167 A G S > S- 0 0 14 3,-0.4 3,-2.1 33,-0.1 33,-0.3 -0.911 70.6 -68.7 163.9 174.3 22.3 -1.6 5.9 56 168 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 31,-0.0 0.688 128.9 49.4 -65.6 -18.1 19.9 0.4 8.0 57 169 A N T 3 S+ 0 0 164 64,-0.1 2,-0.5 2,-0.0 33,-0.0 0.316 99.5 80.6 -99.3 6.8 17.3 0.5 5.2 58 170 A V < - 0 0 37 -3,-2.1 2,-0.8 -6,-0.0 -3,-0.4 -0.956 69.2-145.9-117.1 129.0 17.5 -3.3 4.5 59 171 A D - 0 0 46 -2,-0.5 3,-0.3 1,-0.1 4,-0.2 -0.848 15.3-176.7 -91.9 109.6 15.7 -5.9 6.6 60 172 A S > + 0 0 1 28,-3.1 4,-2.0 -2,-0.8 3,-0.5 0.473 54.8 99.8 -86.2 -2.8 18.0 -9.0 6.7 61 173 A R H > S+ 0 0 41 27,-0.3 4,-2.5 1,-0.2 5,-0.2 0.903 79.2 47.9 -53.9 -50.7 15.6 -11.2 8.6 62 174 A Q H > S+ 0 0 106 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.839 112.2 51.1 -63.5 -32.2 14.2 -13.2 5.8 63 175 A Y H > S+ 0 0 32 -3,-0.5 4,-2.1 -4,-0.2 -1,-0.2 0.898 110.5 47.0 -73.7 -41.5 17.6 -14.0 4.4 64 176 A L H X S+ 0 0 4 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.904 113.2 50.1 -66.7 -39.1 19.0 -15.2 7.7 65 177 A Q H X S+ 0 0 19 -4,-2.5 4,-2.9 -5,-0.2 -2,-0.2 0.920 108.8 51.5 -64.2 -41.5 16.0 -17.3 8.2 66 178 A A H X S+ 0 0 42 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.908 110.4 50.3 -60.4 -40.8 16.3 -18.8 4.7 67 179 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.954 112.8 45.0 -62.7 -50.3 20.0 -19.6 5.5 68 180 A I H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.921 113.1 50.7 -57.9 -46.0 19.0 -21.3 8.8 69 181 A D H X S+ 0 0 62 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.906 112.9 46.0 -60.3 -43.8 16.2 -23.2 7.2 70 182 A Y H X S+ 0 0 129 -4,-2.3 4,-0.7 -5,-0.2 -2,-0.2 0.932 112.5 47.5 -68.1 -47.1 18.4 -24.5 4.4 71 183 A V H ><>S+ 0 0 10 -4,-2.4 5,-2.2 1,-0.2 3,-1.1 0.894 109.2 56.3 -64.8 -36.4 21.3 -25.6 6.5 72 184 A S H ><5S+ 0 0 41 -4,-2.3 3,-2.0 -5,-0.3 -1,-0.2 0.904 99.8 59.6 -56.2 -42.3 18.9 -27.3 8.9 73 185 A S H 3<5S+ 0 0 83 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.681 103.3 52.4 -64.2 -19.8 17.6 -29.4 5.9 74 186 A N T <<5S- 0 0 110 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.225 128.4 -93.5 -99.3 13.9 21.1 -30.8 5.4 75 187 A G T < 5S- 0 0 55 -3,-2.0 -3,-0.2 33,-0.1 -2,-0.1 0.567 77.7 -64.9 87.5 10.5 21.5 -31.9 9.0 76 188 A G < + 0 0 24 -5,-2.2 2,-0.3 -6,-0.2 34,-0.3 -0.407 54.7 166.6 109.8 176.0 23.2 -28.8 10.3 77 189 A G E - 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